| 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 | 43.7 | Very low | 61.3 | Low | 242 Ų | 242 | 124.4 Ų | 124.4 | 100% | 1.192 | 70% | 0.701 | S | S | * | * | 0 | 125.2 | 0 | -65.2 | -177.6 | -151.6 | 0 | 0 | 109 | K3 | M1-K3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 59.7 | Low | 63.2 | Low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | trans | -58.5 | 127.8 | 172 | 163.3 | 0 | 0 | 0 | 0 | 109.7 | R4 | S2-R4 PolarHBondContact O-N 3.26Š| ||
| 3 | K | 58.5 | Low | 65.3 | Low | 203 Ų | 203 | 117.4 Ų | 117.4 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | trans | -60 | 102.9 | 172.7 | -84.9 | -179.1 | 177.8 | 170.5 | 0 | 107.2 | M1 G5 | M1-K3 PolarHBondContact O-N 3.36Å; K3-G5 PolarHBondContact O-N 2.81Å | ||
| 4 | R | 53.2 | Low | 67.2 | Low | 235 Ų | 235 | 116.8 Ų | 116.8 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | trans | -50.2 | 110.9 | 174 | -78.1 | -177.8 | 173.7 | 170.2 | -1.7 | 108.1 | S2 R6 | S2-R4 PolarHBondContact O-N 3.26Å; R4-R6 PolarHBondContact O-N 3.21Å; R4-R6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | G | 54 | Low | 68.8 | Low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -55.4 | 117.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K3 G7 | K3-G5 PolarHBondContact O-N 2.81Å; G5-G7 PolarHBondContact O-N 2.96Å | ||
| 6 | R | 54.6 | Low | 70.5 | Confident | 243 Ų | 243 | 117.8 Ų | 117.8 | 92% | 0.917 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -70.9 | -8.6 | -179.1 | -84.4 | 179.8 | 167.1 | 168 | -4 | 113.4 | R4 | R4-R6 PolarHBondContact O-N 3.21Å; R4-R6 VanDerWaalsContact O-N 3.11Å |
| 7 | G | 61.4 | Low | 72 | Confident | 48 Ų | 48 | 113.9 Ų | 113.9 | 50% | 0.495 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -95.9 | 138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G5 S9 | G5-G7 PolarHBondContact O-N 2.96Å; G7-S9 VanDerWaalsContact C-N 3.25Å; G7-S9 PolarHBondContact O-N 3.31Å |
| 8 | G | 65.8 | Low | 73.4 | Confident | 26 Ų | 26 | 112.6 Ų | 112.6 | 27% | 0.268 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -76.6 | -6.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K109 P130 | G8-K109 WeakPolarHBondContact CA-O 3.32Å; G8-K109 PolarHBondContact N-O 3.32Å; G8-P130 WeakPolarHBondContact O-CD 3.49Å |
| 9 | S | 74.1 | Confident | 74.6 | Confident | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | trans | -83.9 | 129.5 | 171.8 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | G7 L128 | G7-S9 VanDerWaalsContact C-N 3.25Å; G7-S9 PolarHBondContact O-N 3.31Å; S9-L128 CarbonylContact C-O 3.57Å; S9-L128 WeakPolarHBondContact CA-O 3.46Å | ||
| 10 | S | 72 | Confident | 75.8 | Confident | 54 Ų | 54 | 102.7 Ų | 102.7 | 38% | 0.378 | 57% | 0.566 | S | S | . | * | trans | -100 | 116.9 | 176.1 | -49.3 | 0 | 0 | 0 | 0 | 109 | L128 P130 | S10-L128 PolarHBondContact N-O 3.41Å; S10-L128 VanDerWaalsContact O-CD2 3.27Å; S10-L128 WeakPolarHBondContact O-CD2 3.28Å; S10-P130 WeakPolarHBondContact OG-CD 3.48Å; S10-P130 WeakPolarHBondContact OG-CG 3.39Å | ||
| 11 | G | 77.7 | Confident | 76.8 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 74% | 0.742 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 78.3 | -164.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 12 | A | 84.2 | Confident | 79.4 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 79% | 0.793 | 51% | 0.51 | S | S | * | . | trans | -113.7 | 135.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | K | 89.7 | Confident | 81.2 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 27% | 0.27 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 132.5 | 179.9 | 178.3 | 175.4 | 162 | -177.2 | 0 | 111.3 | V57 D59 L128 | K13-V57 WeakPolarHBondContact CE-O 3.47Å; K13-V57 PolarHBondContact NZ-O 3.11Å; K13-D59 WeakPolarHBondContact CD-OD1 3.19Å; K13-D59 IonicContact NZ-OD1 2.76Å; K13-D59 PolarHBondContact NZ-OD1 3.28Å; K13-D59 IonicContact NZ-OD2 2.76Å; K13-D59 PolarHBondContact NZ-OD2 3.27Å; K13-L128 HydrophobicContact CB-CD1 3.72Å; K13-L128 HydrophobicContact CB-CD2 4.39Å; K13-L128 HydrophobicContact CD-CD1 4.16Å; K13-L128 HydrophobicContact CG-CD1 3.95Å |
| 14 | F | 91.6 | Very high | 83.1 | Confident | 109 Ų | 109 | 78 Ų | 78 | 48% | 0.478 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 142.5 | 168.3 | -173.6 | -104.2 | 0 | 0 | 0 | 110.8 | I16 K91 | F14-I16 HydrophobicContact CD1-CG2 4.49Å; F14-I16 PolarHBondContact O-N 3.24Å; F14-K91 HydrophobicContact CD1-CG 4.26Å; F14-K91 HydrophobicContact CD2-CD 4.48Å; F14-K91 VanDerWaalsContact CD2-CE 3.45Å; F14-K91 HydrophobicContact CD2-CG 4.34Å; F14-K91 HydrophobicContact CE1-CG 4.19Å; F14-K91 HydrophobicContact CE2-CG 4.26Å; F14-K91 HydrophobicContact CG-CG 4.33Å; F14-K91 HydrophobicContact CZ-CG 4.19Å |
| 15 | R | 92.4 | Very high | 85.2 | Confident | 231 Ų | 231 | 70.4 Ų | 70.4 | 87% | 0.872 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -68 | 123.5 | -177.4 | -173.2 | 176 | 178.6 | 173.7 | -3.2 | 110.5 | ||
| 16 | I | 95 | Very high | 87.3 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | trans | -125.9 | 165.6 | 177.3 | 61.5 | 172.5 | 0 | 0 | 0 | 110.8 | F14 L18 V57 Y88 | F14-I16 HydrophobicContact CD1-CG2 4.49Å; F14-I16 PolarHBondContact O-N 3.24Å; I16-L18 PolarHBondContact O-N 3.18Å; I16-V57 HydrophobicContact CD1-CB 3.88Å; I16-Y88 HydrophobicContact CB-CD2 4.23Å; I16-Y88 HydrophobicContact CB-CG 4.4Å; I16-Y88 HydrophobicContact CG2-CD2 3.91Å | ||
| 17 | S | 96.6 | Very high | 89.4 | Confident | 52 Ų | 52 | 59 Ų | 59 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -57.1 | 126 | 171.1 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | Q84 S87 | S17-Q84 PolarHBondContact O-NE2 3.3Å; S17-Q84 VanDerWaalsContact O-NE2 3.09Å; S17-S87 WeakPolarHBondContact CB-O 3.5Å; S17-S87 PolarHBondContact OG-O 2.85Å | ||
| 18 | L | 96.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | trans | -87.6 | 110.8 | 176.5 | -54.2 | 176.1 | 0 | 0 | 0 | 108.9 | I16 A54 A55 | I16-L18 PolarHBondContact O-N 3.18Å; L18-A54 HydrophobicContact CB-CB 3.8Å; L18-A54 HydrophobicContact CD1-CB 4.17Å; L18-A55 CarbonylContact C-O 3.6Å | ||
| 19 | G | 96.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | trans | -98.2 | -10 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A55 | G19-A55 PolarHBondContact N-O 3.38Å; G19-A55 VanDerWaalsContact N-O 3.14Å | ||
| 20 | L | 98.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 87.1 | -167.3 | -60.2 | 174.4 | 0 | 0 | 0 | 111.2 | A24 I26 I39 A54 A55 V81 N101 | L20-A24 HydrophobicContact CB-CB 4.48Å; L20-A24 HydrophobicContact CD2-CB 4.29Å; L20-I26 HydrophobicContact CD1-CG2 4.08Å; L20-I26 HydrophobicContact CD2-CG2 3.74Å; L20-I39 HydrophobicContact CB-CD1 3.94Å; L20-I39 HydrophobicContact CD1-CD1 4.31Å; L20-A54 CarbonylContact O-C 3.53Å; L20-A54 VanDerWaalsContact O-CA 3.31Å; L20-A54 WeakPolarHBondContact O-CA 3.12Å; L20-A55 HydrophobicContact CB-CB 4.4Å; L20-A55 WeakPolarHBondContact CB-O 3.28Å; L20-A55 PolarHBondContact N-O 3.17Å; L20-A55 PolarHBondContact O-N 3.23Å; L20-V81 HydrophobicContact CD1-CB 4.4Å; L20-V81 HydrophobicContact CD1-CG1 3.55Å; L20-V81 HydrophobicContact CD1-CG2 3.88Å; L20-N101 HydrophobicContact CD2-CB 3.95Å |
| 21 | P | 97.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 164.6 | 171.6 | 30.6 | -35 | 0 | 0 | 0 | 111.4 | A24 L52 P53 A54 | P21-A24 WeakPolarHBondContact O-CB 3.43Å; P21-A24 PolarHBondContact O-N 2.79Å; P21-A24 VanDerWaalsContact O-N 3.13Å; P21-L52 HydrophobicContact CB-CB 4.47Å; P21-P53 WeakPolarHBondContact CA-O 3.5Å; P21-A54 HydrophobicContact CB-CB 4.48Å |
| 22 | V | 97.7 | Very high | 95.7 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 142.3 | 164.5 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | A24 I40 L52 P53 | V22-A24 VanDerWaalsContact C-N 3.33Å; V22-I40 VanDerWaalsContact CG1-O 3.26Å; V22-I40 WeakPolarHBondContact CG1-O 3.44Å; V22-L52 HydrophobicContact CG2-CB 4.12Å; V22-L52 HydrophobicContact CG2-CD2 3.93Å; V22-L52 HydrophobicContact CG2-CG 4.44Å; V22-P53 HydrophobicContact CG1-CB 4.08Å; V22-P53 HydrophobicContact CG1-CG 4.26Å; V22-P53 PolarHBondContact N-O 2.93Å |
| 23 | G | 97.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 50 Ų | 50 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -14.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V25 Y38 I39 | G23-V25 PolarHBondContact O-N 2.82Å; G23-Y38 WeakPolarHBondContact O-CE2 3.38Å; G23-I39 PolarHBondContact N-O 3.24Å |
| 24 | A | 98.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | trans | -64.1 | 136.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L20 P21 V22 I39 | L20-A24 HydrophobicContact CB-CB 4.48Å; L20-A24 HydrophobicContact CD2-CB 4.29Å; P21-A24 WeakPolarHBondContact O-CB 3.43Å; P21-A24 PolarHBondContact O-N 2.79Å; P21-A24 VanDerWaalsContact O-N 3.13Å; V22-A24 VanDerWaalsContact C-N 3.33Å; A24-I39 HydrophobicContact CB-CD1 4.35Å; A24-I39 PolarHBondContact O-N 2.82Å | ||
| 25 | V | 98.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | G23 N36 L37 Y38 | G23-V25 PolarHBondContact O-N 2.82Å; V25-N36 HydrophobicContact CG1-CB 3.9Å; V25-L37 CarbonylContact C-O 3.53Å; V25-L37 WeakPolarHBondContact CA-O 3.46Å; V25-Y38 HydrophobicContact CG2-CD2 3.7Å |
| 26 | I | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 158.5 | 179.3 | 68 | 175.7 | 0 | 0 | 0 | 110.7 | L20 N36 L37 I39 N101 | L20-I26 HydrophobicContact CD1-CG2 4.08Å; L20-I26 HydrophobicContact CD2-CG2 3.74Å; I26-N36 WeakPolarHBondContact O-CA 3.45Å; I26-L37 HydrophobicContact CG1-CB 3.85Å; I26-L37 HydrophobicContact CG1-CD1 4.49Å; I26-L37 PolarHBondContact N-O 2.9Å; I26-L37 PolarHBondContact O-N 2.93Å; I26-I39 HydrophobicContact CD1-CD1 4.32Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I26-N101 HydrophobicContact CB-CB 4.07Å; I26-N101 WeakPolarHBondContact CB-O 3.34Å; I26-N101 HydrophobicContact CG2-CB 3.61Å |
| 27 | N | 98.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145.7 | 174.9 | -66.6 | -25.8 | 0 | 0 | 0 | 110.3 | D100 N101 A102 G103 | N27-D100 PolarHBondContact ND2-OD2 2.99Å; N27-N101 PolarHBondContact N-O 3.02Å; N27-A102 HydrophobicContact CB-CB 4.33Å; N27-A102 CarbonylContact O-C 3.57Å; N27-A102 VanDerWaalsContact O-CA 3.29Å; N27-A102 WeakPolarHBondContact O-CA 3.36Å; N27-G103 PolarHBondContact O-N 3.1Å |
| 28 | C | 98 | Very high | 97.3 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123 | 166 | -164.2 | 0 | 0 | 0 | 0 | 108.9 | D30 A34 K35 L37 G103 | C28-D30 VanDerWaalsContact SG-CG 3.57Å; C28-D30 PolarHBondContact SG-OD1 2.89Å; C28-A34 HydrophobicContact CB-CB 3.98Å; C28-A34 WeakPolarHBondContact CB-O 3.4Å; C28-K35 PolarHBondContact N-O 3.48Å; C28-L37 HydrophobicContact CB-CD1 4.21Å; C28-L37 HydrophobicContact CB-CD2 4.43Å; C28-L37 HydrophobicContact CB-CG 4.01Å; C28-G103 WeakPolarHBondContact CA-O 3.19Å |
| 29 | A | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | trans | -98.6 | 3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I82 A102 G103 V104 I117 T118 | A29-I82 HydrophobicContact CB-CD1 3.51Å; A29-A102 HydrophobicContact CB-CB 4.16Å; A29-G103 PolarHBondContact N-O 2.65Å; A29-V104 HydrophobicContact CB-CG1 4.23Å; A29-I117 HydrophobicContact CB-CG2 4.09Å; A29-I117 CarbonylContact O-C 3.47Å; A29-I117 WeakPolarHBondContact O-CA 3.27Å; A29-T118 PolarHBondContact O-N 3.27Å | ||
| 30 | D | 95.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -96.6 | 169.7 | 175.8 | 69.7 | 34.3 | 0 | 0 | 0 | 112.4 | C28 T32 V104 I105 A116 | C28-D30 VanDerWaalsContact SG-CG 3.57Å; C28-D30 PolarHBondContact SG-OD1 2.89Å; D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 VanDerWaalsContact OD1-CG2 3.27Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.22Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 2.81Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.42Å; D30-V104 HydrophobicContact CB-CB 4.33Å; D30-V104 HydrophobicContact CB-CG1 3.94Å; D30-I105 WeakPolarHBondContact OD2-CB 3.47Å; D30-I105 PolarHBondContact OD2-N 3.2Å; D30-A116 WeakPolarHBondContact CA-O 3.34Å |
| 31 | N | 95.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -90.9 | 20.1 | 176.8 | 67.6 | -23.8 | 0 | 0 | 0 | 114 | G33 G114 S115 A116 | N31-G33 PolarHBondContact O-N 3.26Å; N31-G114 VanDerWaalsContact OD1-CA 3.32Å; N31-G114 WeakPolarHBondContact OD1-CA 3.27Å; N31-S115 PolarHBondContact OD1-N 2.92Å; N31-A116 PolarHBondContact N-O 3.36Å; N31-A116 PolarHBondContact OD1-N 2.55Å |
| 32 | T | 95.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -67 | -21.9 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | D30 L72 K113 G114 | D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 VanDerWaalsContact OD1-CG2 3.27Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.22Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 2.81Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.42Å; T32-L72 WeakPolarHBondContact O-CD1 3.22Å; T32-K113 HydrophobicContact CG2-CB 3.98Å; T32-K113 HydrophobicContact CG2-CD 4.38Å; T32-K113 HydrophobicContact CG2-CG 4.06Å; T32-G114 VanDerWaalsContact CG2-N 3.34Å |
| 33 | G | 95.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 98.4 | 5.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N31 G68 K69 | N31-G33 PolarHBondContact O-N 3.26Å; G33-G68 CarbonylContact O-C 3.51Å; G33-G68 WeakPolarHBondContact O-CA 3.39Å; G33-K69 PolarHBondContact O-N 2.66Å |
| 34 | A | 97.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 145 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | C28 L37 V65 L72 I105 | C28-A34 HydrophobicContact CB-CB 3.98Å; C28-A34 WeakPolarHBondContact CB-O 3.4Å; A34-L37 HydrophobicContact CB-CD2 4.32Å; A34-V65 HydrophobicContact CB-CB 4.43Å; A34-V65 HydrophobicContact CB-CG1 3.75Å; A34-V65 HydrophobicContact CB-CG2 3.75Å; A34-L72 HydrophobicContact CB-CD1 4.3Å; A34-I105 HydrophobicContact CB-CD1 3.73Å |
| 35 | K | 97.3 | Very high | 96.4 | Very high | 144 Ų | 144 | 48 Ų | 48 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -44.5 | 173.9 | -64.1 | -170.6 | 175.6 | -172 | 0 | 111.5 | C28 K67 | C28-K35 PolarHBondContact N-O 3.48Å; K35-K67 HydrophobicContact CB-CB 4.12Å; K35-K67 WeakPolarHBondContact CB-O 3.43Å; K35-K67 PolarHBondContact N-O 3.14Å |
| 36 | N | 97.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.8 | -176.8 | -65.3 | 58.8 | 0 | 0 | 0 | 110.5 | V25 I26 V65 K66 K67 | V25-N36 HydrophobicContact CG1-CB 3.9Å; I26-N36 WeakPolarHBondContact O-CA 3.45Å; N36-V65 WeakPolarHBondContact O-CA 3.29Å; N36-K66 HydrophobicContact CB-CB 4.4Å; N36-K66 PolarHBondContact O-N 3.11Å; N36-K67 HydrophobicContact CB-CB 4.31Å; N36-K67 PolarHBondContact N-O 2.96Å |
| 37 | L | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.1 | 175 | -57.9 | 175.9 | 0 | 0 | 0 | 109.2 | V25 I26 C28 A34 A63 V65 A79 I105 | V25-L37 CarbonylContact C-O 3.53Å; V25-L37 WeakPolarHBondContact CA-O 3.46Å; I26-L37 HydrophobicContact CG1-CB 3.85Å; I26-L37 HydrophobicContact CG1-CD1 4.49Å; I26-L37 PolarHBondContact N-O 2.9Å; I26-L37 PolarHBondContact O-N 2.93Å; C28-L37 HydrophobicContact CB-CD1 4.21Å; C28-L37 HydrophobicContact CB-CD2 4.43Å; C28-L37 HydrophobicContact CB-CG 4.01Å; A34-L37 HydrophobicContact CB-CD2 4.32Å; L37-A63 HydrophobicContact CB-CB 4.14Å; L37-V65 HydrophobicContact CD2-CG2 4.03Å; L37-A79 HydrophobicContact CD1-CB 4.06Å; L37-I105 HydrophobicContact CD1-CG1 4.44Å; L37-I105 HydrophobicContact CD2-CD1 3.96Å; L37-I105 HydrophobicContact CD2-CG1 3.9Å |
| 38 | Y | 98.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.4 | 173.9 | 175.5 | -87.3 | 0 | 0 | 0 | 109.6 | G23 V25 I40 A63 T64 K66 | G23-Y38 WeakPolarHBondContact O-CE2 3.38Å; V25-Y38 HydrophobicContact CG2-CD2 3.7Å; Y38-I40 HydrophobicContact CD1-CG1 3.85Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; Y38-A63 CarbonylContact O-C 3.51Å; Y38-A63 WeakPolarHBondContact O-CA 3.34Å; Y38-A63 WeakPolarHBondContact O-CB 3.43Å; Y38-T64 PolarHBondContact N-O 2.96Å; Y38-T64 PolarHBondContact O-N 2.73Å; Y38-K66 VanDerWaalsContact CB-CE 3.4Å; Y38-K66 HydrophobicContact CG-CG 4.43Å |
| 39 | I | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.4 | -176.7 | -61.1 | 177.9 | 0 | 0 | 0 | 110.3 | L20 G23 A24 I26 V61 | L20-I39 HydrophobicContact CB-CD1 3.94Å; L20-I39 HydrophobicContact CD1-CD1 4.31Å; G23-I39 PolarHBondContact N-O 3.24Å; A24-I39 HydrophobicContact CB-CD1 4.35Å; A24-I39 PolarHBondContact O-N 2.82Å; I26-I39 HydrophobicContact CD1-CD1 4.32Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I39-V61 HydrophobicContact CD1-CG1 4.46Å; I39-V61 HydrophobicContact CD1-CG2 4.48Å; I39-V61 HydrophobicContact CG1-CG2 4.23Å; I39-V61 HydrophobicContact CG2-CB 4.16Å; I39-V61 HydrophobicContact CG2-CG1 4.29Å |
| 40 | I | 97.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 75.7 Ų | 75.7 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -41 | -179.5 | -59.4 | 172.9 | 0 | 0 | 0 | 110.8 | V22 Y38 M62 T64 V76 | V22-I40 VanDerWaalsContact CG1-O 3.26Å; V22-I40 WeakPolarHBondContact CG1-O 3.44Å; Y38-I40 HydrophobicContact CD1-CG1 3.85Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; I40-M62 PolarHBondContact N-O 2.83Å; I40-T64 HydrophobicContact CD1-CG2 3.37Å; I40-V76 HydrophobicContact CD1-CG2 4.41Å |
| 41 | S | 96.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 82.6 Ų | 82.6 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164.5 | 178.3 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | V61 M62 | S41-V61 CarbonylContact O-C 3.56Å; S41-V61 WeakPolarHBondContact O-CA 3.3Å; S41-V61 WeakPolarHBondContact O-CB 3.37Å; S41-M62 PolarHBondContact N-O 2.77Å; S41-M62 PolarHBondContact O-N 2.93Å; S41-M62 WeakPolarHBondContact OG-CB 3.09Å; S41-M62 WeakPolarHBondContact OG-CG 3.13Å |
| 42 | V | 96.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 84 Ų | 84 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.7 | 178.8 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | I45 P53 A55 D59 V61 | V42-I45 HydrophobicContact CB-CD1 3.82Å; V42-I45 HydrophobicContact CB-CG1 4.15Å; V42-I45 HydrophobicContact CG1-CD1 3.58Å; V42-I45 HydrophobicContact CG1-CG1 3.89Å; V42-I45 HydrophobicContact CG2-CD1 4.47Å; V42-P53 HydrophobicContact CB-CB 4.39Å; V42-P53 HydrophobicContact CG2-CB 4.17Å; V42-A55 HydrophobicContact CG1-CB 4.02Å; V42-A55 HydrophobicContact CG2-CB 3.92Å; V42-D59 HydrophobicContact CG1-CB 4.39Å; V42-V61 HydrophobicContact CG1-CG1 4.3Å; V42-V61 HydrophobicContact CG2-CG1 4.14Å |
| 43 | K | 93.6 | Very high | 95.6 | Very high | 127 Ų | 127 | 85.2 Ų | 85.2 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 140.6 | -178.1 | -167.7 | 175.9 | -178.2 | 178.4 | 0 | 110.3 | I45 M60 | K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 3.11Å; K43-M60 HydrophobicContact CB-CB 4.23Å; K43-M60 HydrophobicContact CB-CG 4.4Å; K43-M60 VanDerWaalsContact CB-O 3.28Å; K43-M60 WeakPolarHBondContact CB-O 3.19Å; K43-M60 HydrophobicContact CD-CB 4.32Å; K43-M60 HydrophobicContact CD-CG 4.07Å; K43-M60 HydrophobicContact CD-SD 3.45Å; K43-M60 WeakPolarHBondContact CD-SD 3.4Å; K43-M60 PolarHBondContact N-O 3.41Å |
| 44 | G | 90.5 | Very high | 95.7 | Very high | 82 Ų | 82 | 84.8 Ų | 84.8 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 8.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 45 | I | 90 | Very high | 95.7 | Very high | 74 Ų | 74 | 84.5 Ų | 84.5 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 130.4 | 176.1 | -64.2 | -162.5 | 0 | 0 | 0 | 110.6 | V42 K43 P53 A54 | V42-I45 HydrophobicContact CB-CD1 3.82Å; V42-I45 HydrophobicContact CB-CG1 4.15Å; V42-I45 HydrophobicContact CG1-CD1 3.58Å; V42-I45 HydrophobicContact CG1-CG1 3.89Å; V42-I45 HydrophobicContact CG2-CD1 4.47Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 3.11Å; I45-P53 HydrophobicContact CG2-CB 4.34Å; I45-A54 WeakPolarHBondContact CD1-O 3.17Å |
| 46 | K | 91.7 | Very high | 95.7 | Very high | 197 Ų | 197 | 77.6 Ų | 77.6 | 86% | 0.857 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 136.8 | 169.3 | -65.5 | -175.2 | 179.6 | -177 | 0 | 109.9 | ||
| 47 | G | 90.7 | Very high | 95.7 | Very high | 77 Ų | 77 | 75.8 Ų | 75.8 | 79% | 0.794 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 149.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 48 | R | 94.7 | Very high | 95.5 | Very high | 175 Ų | 175 | 75.9 Ų | 75.9 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | trans | -142.9 | 141.8 | 169.4 | -179.9 | 162.2 | -178.1 | 159 | 1.1 | 108.9 | N50 R51 | R48-N50 PolarHBondContact O-N 2.92Å; R48-R51 HydrophobicContact CB-CB 4.04Å; R48-R51 HydrophobicContact CG-CB 4.42Å; R48-R51 PolarHBondContact O-N 3.24Å | ||
| 49 | L | 96.7 | Very high | 95.4 | Very high | 150 Ų | 150 | 73.7 Ų | 73.7 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 127.1 | -179.5 | -176.4 | 63.6 | 0 | 0 | 0 | 110.6 | R51 | L49-R51 PolarHBondContact O-N 3.46Å; L49-R51 VanDerWaalsContact O-N 3.09Å |
| 50 | N | 95.9 | Very high | 95.3 | Very high | 157 Ų | 157 | 74.3 Ų | 74.3 | 84% | 0.84 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.6 | 178.6 | -56.6 | -26.8 | 0 | 0 | 0 | 115.6 | R48 | R48-N50 PolarHBondContact O-N 2.92Š|
| 51 | R | 96.8 | Very high | 95.3 | Very high | 158 Ų | 158 | 70.7 Ų | 70.7 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | trans | -109 | 119.4 | 175.8 | -173.6 | 173.3 | -65.1 | -160.8 | -2.7 | 110.7 | R48 L49 | R48-R51 HydrophobicContact CB-CB 4.04Å; R48-R51 HydrophobicContact CG-CB 4.42Å; R48-R51 PolarHBondContact O-N 3.24Å; L49-R51 PolarHBondContact O-N 3.46Å; L49-R51 VanDerWaalsContact O-N 3.09Å | ||
| 52 | L | 96.7 | Very high | 95.3 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | trans | -66.8 | 128.3 | 171.1 | -61.3 | -178.1 | 0 | 0 | 0 | 110 | P21 V22 | P21-L52 HydrophobicContact CB-CB 4.47Å; V22-L52 HydrophobicContact CG2-CB 4.12Å; V22-L52 HydrophobicContact CG2-CD2 3.93Å; V22-L52 HydrophobicContact CG2-CG 4.44Å | ||
| 53 | P | 96.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | trans | -58.5 | 139.3 | 167.1 | -20.4 | 32.1 | 0 | 0 | 0 | 109.6 | P21 V22 V42 I45 | P21-P53 WeakPolarHBondContact CA-O 3.5Å; V22-P53 HydrophobicContact CG1-CB 4.08Å; V22-P53 HydrophobicContact CG1-CG 4.26Å; V22-P53 PolarHBondContact N-O 2.93Å; V42-P53 HydrophobicContact CB-CB 4.39Å; V42-P53 HydrophobicContact CG2-CB 4.17Å; I45-P53 HydrophobicContact CG2-CB 4.34Å | ||
| 54 | A | 97.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L18 L20 P21 I45 | L18-A54 HydrophobicContact CB-CB 3.8Å; L18-A54 HydrophobicContact CD1-CB 4.17Å; L20-A54 CarbonylContact O-C 3.53Å; L20-A54 VanDerWaalsContact O-CA 3.31Å; L20-A54 WeakPolarHBondContact O-CA 3.12Å; P21-A54 HydrophobicContact CB-CB 4.48Å; I45-A54 WeakPolarHBondContact CD1-O 3.17Å |
| 55 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 156.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L18 G19 L20 V42 D59 V61 V81 | L18-A55 CarbonylContact C-O 3.6Å; G19-A55 PolarHBondContact N-O 3.38Å; G19-A55 VanDerWaalsContact N-O 3.14Å; L20-A55 HydrophobicContact CB-CB 4.4Å; L20-A55 WeakPolarHBondContact CB-O 3.28Å; L20-A55 PolarHBondContact N-O 3.17Å; L20-A55 PolarHBondContact O-N 3.23Å; V42-A55 HydrophobicContact CG1-CB 4.02Å; V42-A55 HydrophobicContact CG2-CB 3.92Å; A55-D59 WeakPolarHBondContact CA-OD2 3.48Å; A55-D59 HydrophobicContact CB-CB 3.98Å; A55-V61 HydrophobicContact CB-CG1 3.55Å; A55-V81 HydrophobicContact CB-CG2 4.26Å |
| 56 | G | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -128.5 | -175 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G58 D59 | G56-G58 PolarHBondContact O-N 2.99Å; G56-D59 PolarHBondContact N-OD2 2.98Å; G56-D59 WeakPolarHBondContact O-CB 3.48Å; G56-D59 PolarHBondContact O-N 3.39Å; G56-D59 VanDerWaalsContact O-N 3.12Å | ||
| 57 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | 134.4 | 174.6 | 168.5 | 0 | 0 | 0 | 0 | 112.2 | K13 I16 D59 Q84 Y88 A122 E124 C125 | K13-V57 WeakPolarHBondContact CE-O 3.47Å; K13-V57 PolarHBondContact NZ-O 3.11Å; I16-V57 HydrophobicContact CD1-CB 3.88Å; V57-D59 VanDerWaalsContact C-N 3.29Å; V57-D59 PolarHBondContact O-N 2.92Å; V57-Q84 HydrophobicContact CG2-CB 3.93Å; V57-Q84 HydrophobicContact CG2-CG 3.62Å; V57-Y88 HydrophobicContact CG2-CE1 4.22Å; V57-A122 HydrophobicContact CB-CB 4.44Å; V57-A122 HydrophobicContact CG1-CB 3.36Å; V57-A122 HydrophobicContact CG2-CB 4.24Å; V57-E124 HydrophobicContact CG1-CB 4.01Å; V57-C125 HydrophobicContact CG1-CB 3.93Å |
| 58 | G | 95.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -10.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G56 V81 W129 | G56-G58 PolarHBondContact O-N 2.99Å; G58-V81 PolarHBondContact N-O 2.85Å; G58-W129 PolarHBondContact O-NE1 2.76Å |
| 59 | D | 96 | Very high | 96.8 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | trans | -76.3 | 142.7 | 176.2 | -66.5 | -30.1 | 0 | 0 | 0 | 111.6 | K13 V42 A55 G56 V57 V80 V81 | K13-D59 WeakPolarHBondContact CD-OD1 3.19Å; K13-D59 IonicContact NZ-OD1 2.76Å; K13-D59 PolarHBondContact NZ-OD1 3.28Å; K13-D59 IonicContact NZ-OD2 2.76Å; K13-D59 PolarHBondContact NZ-OD2 3.27Å; V42-D59 HydrophobicContact CG1-CB 4.39Å; A55-D59 WeakPolarHBondContact CA-OD2 3.48Å; A55-D59 HydrophobicContact CB-CB 3.98Å; G56-D59 PolarHBondContact N-OD2 2.98Å; G56-D59 WeakPolarHBondContact O-CB 3.48Å; G56-D59 PolarHBondContact O-N 3.39Å; G56-D59 VanDerWaalsContact O-N 3.12Å; V57-D59 VanDerWaalsContact C-N 3.29Å; V57-D59 PolarHBondContact O-N 2.92Å; D59-V80 WeakPolarHBondContact O-CA 3.45Å; D59-V81 PolarHBondContact O-N 3.01Å; D59-V81 VanDerWaalsContact O-N 3.1Å | ||
| 60 | M | 95.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127 | 168.4 | -177.7 | 176.8 | -82.1 | 0 | 0 | 109.7 | K43 A79 V80 V106 W129 | K43-M60 HydrophobicContact CB-CB 4.23Å; K43-M60 HydrophobicContact CB-CG 4.4Å; K43-M60 VanDerWaalsContact CB-O 3.28Å; K43-M60 WeakPolarHBondContact CB-O 3.19Å; K43-M60 HydrophobicContact CD-CB 4.32Å; K43-M60 HydrophobicContact CD-CG 4.07Å; K43-M60 HydrophobicContact CD-SD 3.45Å; K43-M60 WeakPolarHBondContact CD-SD 3.4Å; K43-M60 PolarHBondContact N-O 3.41Å; M60-A79 CarbonylContact C-O 3.57Å; M60-A79 WeakPolarHBondContact CA-O 3.47Å; M60-V80 HydrophobicContact CB-CG2 4.46Å; M60-V80 HydrophobicContact CE-CG2 4.37Å; M60-V106 HydrophobicContact CE-CG2 3.72Å; M60-W129 HydrophobicContact CB-CH2 4.39Å; M60-W129 HydrophobicContact CB-CZ2 4.16Å; M60-W129 HydrophobicContact CE-CH2 3.4Å; M60-W129 HydrophobicContact CE-CZ2 4.18Å; M60-W129 HydrophobicContact CE-CZ3 3.87Å; M60-W129 HydrophobicContact SD-CH2 4.49Å |
| 61 | V | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.7 | 179 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | I39 S41 V42 A55 P78 A79 V81 | I39-V61 HydrophobicContact CD1-CG1 4.46Å; I39-V61 HydrophobicContact CD1-CG2 4.48Å; I39-V61 HydrophobicContact CG1-CG2 4.23Å; I39-V61 HydrophobicContact CG2-CB 4.16Å; I39-V61 HydrophobicContact CG2-CG1 4.29Å; S41-V61 CarbonylContact O-C 3.56Å; S41-V61 WeakPolarHBondContact O-CA 3.3Å; S41-V61 WeakPolarHBondContact O-CB 3.37Å; V42-V61 HydrophobicContact CG1-CG1 4.3Å; V42-V61 HydrophobicContact CG2-CG1 4.14Å; A55-V61 HydrophobicContact CB-CG1 3.55Å; V61-P78 CarbonylContact O-C 3.52Å; V61-P78 WeakPolarHBondContact O-CA 3.16Å; V61-A79 HydrophobicContact CG2-CB 4.04Å; V61-A79 PolarHBondContact N-O 3.43Å; V61-A79 PolarHBondContact O-N 2.85Å; V61-V81 HydrophobicContact CG1-CG2 4.19Å; V61-V81 HydrophobicContact CG2-CG2 4.49Å |
| 62 | M | 97.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.2 | 165.3 | -57.6 | -55.7 | -57.8 | 0 | 0 | 108.3 | I40 S41 V76 P78 | I40-M62 PolarHBondContact N-O 2.83Å; S41-M62 PolarHBondContact N-O 2.77Å; S41-M62 PolarHBondContact O-N 2.93Å; S41-M62 WeakPolarHBondContact OG-CB 3.09Å; S41-M62 WeakPolarHBondContact OG-CG 3.13Å; M62-V76 HydrophobicContact CB-CG1 4.18Å; M62-V76 HydrophobicContact CE-CG1 3.58Å; M62-P78 HydrophobicContact CE-CB 4.46Å; M62-P78 HydrophobicContact CE-CG 3.97Å; M62-P78 HydrophobicContact SD-CB 4.2Å; M62-P78 HydrophobicContact SD-CG 4.21Å |
| 63 | A | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L37 Y38 H77 A79 | L37-A63 HydrophobicContact CB-CB 4.14Å; Y38-A63 CarbonylContact O-C 3.51Å; Y38-A63 WeakPolarHBondContact O-CA 3.34Å; Y38-A63 WeakPolarHBondContact O-CB 3.43Å; A63-H77 PolarHBondContact N-O 2.71Å; A63-H77 PolarHBondContact O-N 3.03Å; A63-H77 VanDerWaalsContact O-O 3.13Å; A63-A79 HydrophobicContact CB-CB 4.39Å |
| 64 | T | 98 | Very high | 96.6 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.2 | 166.8 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | Y38 I40 K66 K75 V76 | Y38-T64 PolarHBondContact N-O 2.96Å; Y38-T64 PolarHBondContact O-N 2.73Å; I40-T64 HydrophobicContact CD1-CG2 3.37Å; T64-K66 PolarHBondContact O-N 3Å; T64-K75 WeakPolarHBondContact CG2-O 3.44Å; T64-V76 HydrophobicContact CG2-CG2 4.06Å |
| 65 | V | 98 | Very high | 96.5 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.2 | 174.5 | -178 | 0 | 0 | 0 | 0 | 109.3 | A34 N36 L37 K67 L72 R73 I105 | A34-V65 HydrophobicContact CB-CB 4.43Å; A34-V65 HydrophobicContact CB-CG1 3.75Å; A34-V65 HydrophobicContact CB-CG2 3.75Å; N36-V65 WeakPolarHBondContact O-CA 3.29Å; L37-V65 HydrophobicContact CD2-CG2 4.03Å; V65-K67 WeakPolarHBondContact CG1-O 3.5Å; V65-L72 HydrophobicContact CB-CB 4.39Å; V65-L72 HydrophobicContact CG1-CB 4.5Å; V65-L72 HydrophobicContact CG2-CB 4.1Å; V65-R73 HydrophobicContact CB-CG 4.49Å; V65-R73 HydrophobicContact CG1-CG 4.15Å; V65-I105 HydrophobicContact CG2-CD1 4.07Å |
| 66 | K | 96.5 | Very high | 96.5 | Very high | 104 Ų | 104 | 62.1 Ų | 62.1 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -45 | 177.5 | -67.3 | -66.9 | -178.8 | 177 | 0 | 111.8 | N36 Y38 T64 R73 | N36-K66 HydrophobicContact CB-CB 4.4Å; N36-K66 PolarHBondContact O-N 3.11Å; Y38-K66 VanDerWaalsContact CB-CE 3.4Å; Y38-K66 HydrophobicContact CG-CG 4.43Å; T64-K66 PolarHBondContact O-N 3Å; K66-R73 PolarHBondContact O-NE 3.25Å; K66-R73 VanDerWaalsContact O-NE 3.11Å |
| 67 | K | 96.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 63.3 Ų | 63.3 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.2 | 176.8 | -64.6 | -177.3 | 179.5 | -179.6 | 0 | 109 | K35 N36 V65 | K35-K67 HydrophobicContact CB-CB 4.12Å; K35-K67 WeakPolarHBondContact CB-O 3.43Å; K35-K67 PolarHBondContact N-O 3.14Å; N36-K67 HydrophobicContact CB-CB 4.31Å; N36-K67 PolarHBondContact N-O 2.96Å; V65-K67 WeakPolarHBondContact CG1-O 3.5Å |
| 68 | G | 95.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G33 | G33-G68 CarbonylContact O-C 3.51Å; G33-G68 WeakPolarHBondContact O-CA 3.39Å |
| 69 | K | 96.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 63.7 Ų | 63.7 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | trans | -51.7 | 135.9 | 175.8 | -71.8 | -178.8 | 178.5 | 174.7 | 0 | 111.5 | G33 E71 L72 R73 | G33-K69 PolarHBondContact O-N 2.66Å; K69-E71 PolarHBondContact O-N 2.93Å; K69-E71 VanDerWaalsContact O-N 3.17Å; K69-L72 HydrophobicContact CB-CD1 4.35Å; K69-L72 HydrophobicContact CB-CG 4.47Å; K69-L72 PolarHBondContact O-N 3.38Å; K69-L72 VanDerWaalsContact O-N 3.11Å; K69-R73 PolarHBondContact O-N 3.15Å | ||
| 70 | P | 96.4 | Very high | 96.6 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -53.1 | -38.1 | -178.5 | -28.1 | 35.3 | 0 | 0 | 0 | 114 | L72 R73 | P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 2.96Å; P70-R73 PolarHBondContact O-N 2.9Å |
| 71 | E | 96.1 | Very high | 96.7 | Very high | 150 Ų | 150 | 61.6 Ų | 61.6 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -62.5 | -27.2 | -178.6 | -63.7 | 172.5 | -165.1 | 0 | 0 | 114.7 | K69 K75 | K69-E71 PolarHBondContact O-N 2.93Å; K69-E71 VanDerWaalsContact O-N 3.17Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CE 3.33Å; E71-K75 PolarHBondContact O-NZ 2.88Å |
| 72 | L | 95.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -90.6 | -23.9 | -179.1 | -64 | 175.8 | 0 | 0 | 0 | 112.4 | T32 A34 V65 K69 P70 H77 | T32-L72 WeakPolarHBondContact O-CD1 3.22Å; A34-L72 HydrophobicContact CB-CD1 4.3Å; V65-L72 HydrophobicContact CB-CB 4.39Å; V65-L72 HydrophobicContact CG1-CB 4.5Å; V65-L72 HydrophobicContact CG2-CB 4.1Å; K69-L72 HydrophobicContact CB-CD1 4.35Å; K69-L72 HydrophobicContact CB-CG 4.47Å; K69-L72 PolarHBondContact O-N 3.38Å; K69-L72 VanDerWaalsContact O-N 3.11Å; P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 2.96Å; L72-H77 PolarHBondContact O-NE2 2.85Å |
| 73 | R | 95.4 | Very high | 96.7 | Very high | 118 Ų | 118 | 60.5 Ų | 60.5 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 157.1 | -178.3 | -66.8 | 179 | 68.5 | -165.8 | -2.7 | 110.9 | V65 K66 K69 P70 K75 | V65-R73 HydrophobicContact CB-CG 4.49Å; V65-R73 HydrophobicContact CG1-CG 4.15Å; K66-R73 PolarHBondContact O-NE 3.25Å; K66-R73 VanDerWaalsContact O-NE 3.11Å; K69-R73 PolarHBondContact O-N 3.15Å; P70-R73 PolarHBondContact O-N 2.9Å; R73-K75 PolarHBondContact O-N 2.9Å |
| 74 | K | 94.6 | Very high | 96.7 | Very high | 201 Ų | 201 | 60.5 Ų | 60.5 | 87% | 0.874 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 13.9 | 178.9 | -53.5 | -179.7 | 179.3 | -179 | 0 | 114.8 | ||
| 75 | K | 96.4 | Very high | 96.7 | Very high | 117 Ų | 117 | 67 Ų | 67 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -116.2 | 149 | 173.5 | -67.7 | 175.6 | -174.6 | 165.7 | 0 | 109.7 | T64 E71 R73 H77 | T64-K75 WeakPolarHBondContact CG2-O 3.44Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CE 3.33Å; E71-K75 PolarHBondContact O-NZ 2.88Å; R73-K75 PolarHBondContact O-N 2.9Å; K75-H77 WeakPolarHBondContact CB-NE2 3.37Å; K75-H77 PolarHBondContact O-CD2 3.39Å |
| 76 | V | 96.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.1 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | I40 M62 T64 | I40-V76 HydrophobicContact CD1-CG2 4.41Å; M62-V76 HydrophobicContact CB-CG1 4.18Å; M62-V76 HydrophobicContact CE-CG1 3.58Å; T64-V76 HydrophobicContact CG2-CG2 4.06Å |
| 77 | H | 96.3 | Very high | 96.8 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.3 | 178 | -55.5 | -83.6 | 0 | 0 | 0 | 109.8 | A63 L72 K75 I105 | A63-H77 PolarHBondContact N-O 2.71Å; A63-H77 PolarHBondContact O-N 3.03Å; A63-H77 VanDerWaalsContact O-O 3.13Å; L72-H77 PolarHBondContact O-NE2 2.85Å; K75-H77 WeakPolarHBondContact CB-NE2 3.37Å; K75-H77 PolarHBondContact O-CD2 3.39Å; H77-I105 HydrophobicContact CB-CG2 3.99Å |
| 78 | P | 96.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 143.2 | 163.9 | -15.1 | 28.3 | 0 | 0 | 0 | 110.6 | V61 M62 V106 N108 | V61-P78 CarbonylContact O-C 3.52Å; V61-P78 WeakPolarHBondContact O-CA 3.16Å; M62-P78 HydrophobicContact CE-CB 4.46Å; M62-P78 HydrophobicContact CE-CG 3.97Å; M62-P78 HydrophobicContact SD-CB 4.2Å; M62-P78 HydrophobicContact SD-CG 4.21Å; P78-V106 HydrophobicContact CB-CG2 3.89Å; P78-V106 PolarHBondContact O-N 3.3Å; P78-V106 VanDerWaalsContact O-O 3.09Å; P78-N108 WeakPolarHBondContact CG-OD1 3.34Å |
| 79 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L37 M60 V61 A63 V104 | L37-A79 HydrophobicContact CD1-CB 4.06Å; M60-A79 CarbonylContact C-O 3.57Å; M60-A79 WeakPolarHBondContact CA-O 3.47Å; V61-A79 HydrophobicContact CG2-CB 4.04Å; V61-A79 PolarHBondContact N-O 3.43Å; V61-A79 PolarHBondContact O-N 2.85Å; A63-A79 HydrophobicContact CB-CB 4.39Å; A79-V104 CarbonylContact C-O 3.52Å; A79-V104 WeakPolarHBondContact CA-O 3.41Å; A79-V104 WeakPolarHBondContact CB-O 3.38Å |
| 80 | V | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.2 | 173.4 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | D59 M60 G103 V104 V106 W129 I132 | D59-V80 WeakPolarHBondContact O-CA 3.45Å; M60-V80 HydrophobicContact CB-CG2 4.46Å; M60-V80 HydrophobicContact CE-CG2 4.37Å; V80-G103 CarbonylContact O-C 3.54Å; V80-G103 WeakPolarHBondContact O-CA 3.45Å; V80-V104 HydrophobicContact CB-CG2 4.4Å; V80-V104 PolarHBondContact N-O 2.82Å; V80-V104 PolarHBondContact O-N 2.78Å; V80-V106 HydrophobicContact CB-CG1 4.45Å; V80-V106 HydrophobicContact CG2-CG1 3.96Å; V80-V106 HydrophobicContact CG2-CG2 3.99Å; V80-W129 HydrophobicContact CG1-CG 4.3Å; V80-W129 HydrophobicContact CG2-CD2 4.16Å; V80-W129 HydrophobicContact CG2-CH2 4.46Å; V80-W129 HydrophobicContact CG2-CZ2 3.96Å; V80-I132 HydrophobicContact CB-CD1 3.72Å; V80-I132 HydrophobicContact CG1-CD1 3.74Å; V80-I132 HydrophobicContact CG2-CD1 4.05Å |
| 81 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123 | 175 | -179 | 0 | 0 | 0 | 0 | 109.4 | L20 A55 G58 D59 V61 | L20-V81 HydrophobicContact CD1-CB 4.4Å; L20-V81 HydrophobicContact CD1-CG1 3.55Å; L20-V81 HydrophobicContact CD1-CG2 3.88Å; A55-V81 HydrophobicContact CB-CG2 4.26Å; G58-V81 PolarHBondContact N-O 2.85Å; D59-V81 PolarHBondContact O-N 3.01Å; D59-V81 VanDerWaalsContact O-N 3.1Å; V61-V81 HydrophobicContact CG1-CG2 4.19Å; V61-V81 HydrophobicContact CG2-CG2 4.49Å |
| 82 | I | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -25.1 | -177.8 | 59.6 | 156.7 | 0 | 0 | 0 | 113.6 | A29 A102 V104 I117 V121 A122 I132 | A29-I82 HydrophobicContact CB-CD1 3.51Å; I82-A102 HydrophobicContact CD1-CB 4.26Å; I82-A102 HydrophobicContact CG1-CB 4.05Å; I82-A102 VanDerWaalsContact CG1-O 3.3Å; I82-A102 WeakPolarHBondContact CG1-O 3.43Å; I82-A102 PolarHBondContact N-O 3.02Å; I82-V104 HydrophobicContact CD1-CG1 4.34Å; I82-V104 HydrophobicContact CG2-CG1 4.43Å; I82-V104 HydrophobicContact CG2-CG2 3.68Å; I82-I117 HydrophobicContact CD1-CG2 3.82Å; I82-V121 HydrophobicContact CB-CG1 4.19Å; I82-V121 HydrophobicContact CB-CG2 4.35Å; I82-V121 HydrophobicContact CD1-CG2 4.11Å; I82-V121 HydrophobicContact CG2-CG1 4.31Å; I82-A122 VanDerWaalsContact O-CB 3.32Å; I82-A122 WeakPolarHBondContact O-CB 3.34Å; I82-A122 PolarHBondContact O-N 3.42Å; I82-A122 VanDerWaalsContact O-N 3.11Å; I82-I132 HydrophobicContact CG2-CG2 4.08Å |
| 83 | R | 97.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.8 | -177.7 | -70.1 | -175.2 | -93 | 161.7 | -8.6 | 110.1 | F98 D100 A102 T118 P120 | R83-F98 HydrophobicContact CB-CB 3.96Å; R83-F98 HydrophobicContact CB-CD1 4.18Å; R83-F98 HydrophobicContact CB-CD2 4.26Å; R83-F98 HydrophobicContact CB-CG 3.86Å; R83-F98 HydrophobicContact CG-CB 4.28Å; R83-F98 HydrophobicContact CG-CD1 3.59Å; R83-F98 HydrophobicContact CG-CD2 4.36Å; R83-F98 HydrophobicContact CG-CE1 3.97Å; R83-F98 HydrophobicContact CG-CG 3.8Å; R83-D100 IonicContact CZ-OD1 3.45Å; R83-D100 IonicContact NE-OD1 3.84Å; R83-D100 IonicContact NH1-OD1 2.65Å; R83-D100 PolarHBondContact NH1-OD1 2.86Å; R83-D100 IonicContact NH1-OD2 3.5Å; R83-A102 HydrophobicContact CB-CB 4.13Å; R83-A102 PolarHBondContact N-O 3.06Å; R83-A102 PolarHBondContact O-N 2.8Å; R83-A102 VanDerWaalsContact O-N 3.15Å; R83-T118 PolarHBondContact NH2-O 2.74Å; R83-P120 WeakPolarHBondContact CD-O 3.34Å; R83-P120 WeakPolarHBondContact CG-O 3.47Å; R83-P120 PolarHBondContact NE-O 3.22Å |
| 84 | Q | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -137.7 | 139.4 | 173.4 | 74.8 | 179.8 | 39.5 | 0 | 0 | 112 | S17 V57 K86 Y88 F98 N101 | S17-Q84 PolarHBondContact O-NE2 3.3Å; S17-Q84 VanDerWaalsContact O-NE2 3.09Å; V57-Q84 HydrophobicContact CG2-CB 3.93Å; V57-Q84 HydrophobicContact CG2-CG 3.62Å; Q84-K86 WeakPolarHBondContact CG-O 3.45Å; Q84-K86 PolarHBondContact NE2-O 3.39Å; Q84-Y88 HydrophobicContact CG-CD1 3.77Å; Q84-Y88 HydrophobicContact CG-CE1 3.84Å; Q84-F98 PolarHBondContact O-N 2.93Å; Q84-N101 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 85 | R | 98 | Very high | 96.6 | Very high | 158 Ų | 158 | 62.4 Ų | 62.4 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.5 | -30.1 | 172.7 | -68.2 | -172.3 | 114.9 | -179.3 | 9.7 | 113.3 | S87 Y97 F98 E99 N101 | R85-S87 PolarHBondContact O-N 2.98Å; R85-Y97 WeakPolarHBondContact O-CB 3.4Å; R85-F98 WeakPolarHBondContact CA-O 3.41Å; R85-E99 VanDerWaalsContact CZ-O 3.29Å; R85-E99 PolarHBondContact NE-O 2.92Å; R85-E99 PolarHBondContact NH2-O 3.1Å; R85-E99 VanDerWaalsContact NH2-O 3.14Å; R85-N101 PolarHBondContact N-OD1 2.91Å |
| 86 | K | 98.1 | Very high | 96.6 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -69.4 | 123.4 | -179.5 | -177.3 | 61 | 175.1 | 179.9 | 0 | 109.1 | Q84 Y88 | Q84-K86 WeakPolarHBondContact CG-O 3.45Å; Q84-K86 PolarHBondContact NE2-O 3.39Å; K86-Y88 PolarHBondContact O-N 3.19Å |
| 87 | S | 97.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | trans | -57.1 | 140.2 | 176.8 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | S17 R85 L96 | S17-S87 WeakPolarHBondContact CB-O 3.5Å; S17-S87 PolarHBondContact OG-O 2.85Å; R85-S87 PolarHBondContact O-N 2.98Å; S87-L96 WeakPolarHBondContact CA-O 3.21Å | ||
| 88 | Y | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150 | 174 | 64 | -83.4 | 0 | 0 | 0 | 110.7 | I16 V57 Q84 K86 F95 L96 F98 A122 E124 | I16-Y88 HydrophobicContact CB-CD2 4.23Å; I16-Y88 HydrophobicContact CB-CG 4.4Å; I16-Y88 HydrophobicContact CG2-CD2 3.91Å; V57-Y88 HydrophobicContact CG2-CE1 4.22Å; Q84-Y88 HydrophobicContact CG-CD1 3.77Å; Q84-Y88 HydrophobicContact CG-CE1 3.84Å; K86-Y88 PolarHBondContact O-N 3.19Å; Y88-F95 WeakPolarHBondContact O-CA 3.35Å; Y88-L96 WeakPolarHBondContact CD1-O 3.32Å; Y88-L96 PolarHBondContact N-O 2.81Å; Y88-L96 PolarHBondContact O-N 3.5Å; Y88-F98 HydrophobicContact CE1-CE2 4.44Å; Y88-A122 WeakPolarHBondContact OH-CB 3.21Å; Y88-E124 HydrophobicContact CE2-CG 4.23Å; Y88-E124 WeakPolarHBondContact CE2-OE2 3.3Å; Y88-E124 PolarHBondContact OH-OE2 2.76Å |
| 89 | R | 96.2 | Very high | 96.8 | Very high | 149 Ų | 149 | 69.2 Ų | 69.2 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 130 | -176.9 | -172.4 | 180 | 172.7 | -171.9 | -0.7 | 110.2 | F95 | R89-F95 HydrophobicContact CB-CD1 4.17Å; R89-F95 HydrophobicContact CB-CE1 3.82Å; R89-F95 HydrophobicContact CB-CE2 4.25Å; R89-F95 HydrophobicContact CB-CZ 3.87Å; R89-F95 HydrophobicContact CG-CD2 4.39Å; R89-F95 HydrophobicContact CG-CE1 4.43Å; R89-F95 HydrophobicContact CG-CE2 3.97Å; R89-F95 HydrophobicContact CG-CZ 4Å |
| 90 | R | 95.3 | Very high | 96.8 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | trans | -82.1 | 167.1 | 170.2 | -76.1 | -175.2 | 164.7 | 169.8 | 1.9 | 111.6 | D92 G93 V94 E124 A140 | R90-D92 VanDerWaalsContact C-N 3.25Å; R90-D92 WeakPolarHBondContact CB-OD1 3.32Å; R90-D92 PolarHBondContact O-N 3.2Å; R90-G93 PolarHBondContact O-N 3.03Å; R90-V94 PolarHBondContact N-O 3.43Å; R90-E124 WeakPolarHBondContact CG-OE1 3.31Å; R90-E124 IonicContact CZ-OE1 3.6Å; R90-E124 IonicContact NE-OE1 2.83Å; R90-E124 PolarHBondContact NE-OE1 2.83Å; R90-E124 IonicContact NE-OE2 4Å; R90-E124 IonicContact NH2-OE1 3.51Å; R90-E124 IonicContact NH2-OE2 3.43Å; R90-E124 PolarHBondContact NH2-OE2 2.74Å; R90-A140 VanDerWaalsContact CZ-OXT 3.24Å; R90-A140 PolarHBondContact NH1-OXT 3.06Å; R90-A140 PolarHBondContact NH2-O 3.38Å; R90-A140 PolarHBondContact NH2-OXT 3.26Å | ||
| 91 | K | 92.1 | Very high | 96.8 | Very high | 169 Ų | 169 | 72.5 Ų | 72.5 | 74% | 0.735 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.6 | 179.9 | -68.9 | -176.7 | 179.2 | 177.9 | 0 | 113 | F14 G93 | F14-K91 HydrophobicContact CD1-CG 4.26Å; F14-K91 HydrophobicContact CD2-CD 4.48Å; F14-K91 VanDerWaalsContact CD2-CE 3.45Å; F14-K91 HydrophobicContact CD2-CG 4.34Å; F14-K91 HydrophobicContact CE1-CG 4.19Å; F14-K91 HydrophobicContact CE2-CG 4.26Å; F14-K91 HydrophobicContact CG-CG 4.33Å; F14-K91 HydrophobicContact CZ-CG 4.19Å; K91-G93 PolarHBondContact O-N 2.91Å |
| 92 | D | 94.7 | Very high | 96.9 | Very high | 117 Ų | 117 | 72.5 Ų | 72.5 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6 | 174.8 | 57.7 | 7.6 | 0 | 0 | 0 | 113.4 | R90 V94 | R90-D92 VanDerWaalsContact C-N 3.25Å; R90-D92 WeakPolarHBondContact CB-OD1 3.32Å; R90-D92 PolarHBondContact O-N 3.2Å; D92-V94 PolarHBondContact OD1-N 2.91Å; D92-V94 VanDerWaalsContact OD1-N 3.07Å |
| 93 | G | 95.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 72.5 Ų | 72.5 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 95.9 | -10.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R90 K91 | R90-G93 PolarHBondContact O-N 3.03Å; K91-G93 PolarHBondContact O-N 2.91Å |
| 94 | V | 96.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 71 Ų | 71 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | trans | -68.7 | 138.4 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | R90 D92 | R90-V94 PolarHBondContact N-O 3.43Å; D92-V94 PolarHBondContact OD1-N 2.91Å; D92-V94 VanDerWaalsContact OD1-N 3.07Å | ||
| 95 | F | 96.6 | Very high | 96.9 | Very high | 131 Ų | 131 | 71.1 Ų | 71.1 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.7 | 169.6 | -76.8 | -100.6 | 0 | 0 | 0 | 109.7 | Y88 R89 | Y88-F95 WeakPolarHBondContact O-CA 3.35Å; R89-F95 HydrophobicContact CB-CD1 4.17Å; R89-F95 HydrophobicContact CB-CE1 3.82Å; R89-F95 HydrophobicContact CB-CE2 4.25Å; R89-F95 HydrophobicContact CB-CZ 3.87Å; R89-F95 HydrophobicContact CG-CD2 4.39Å; R89-F95 HydrophobicContact CG-CE1 4.43Å; R89-F95 HydrophobicContact CG-CE2 3.97Å; R89-F95 HydrophobicContact CG-CZ 4Å |
| 96 | L | 96.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.8 | 177.5 | -174.4 | 65.6 | 0 | 0 | 0 | 110.4 | S87 Y88 F98 | S87-L96 WeakPolarHBondContact CA-O 3.21Å; Y88-L96 WeakPolarHBondContact CD1-O 3.32Å; Y88-L96 PolarHBondContact N-O 2.81Å; Y88-L96 PolarHBondContact O-N 3.5Å; L96-F98 HydrophobicContact CD2-CE2 3.9Å; L96-F98 HydrophobicContact CD2-CZ 4.04Å; L96-F98 HydrophobicContact CG-CE2 4.28Å |
| 97 | Y | 96.9 | Very high | 96.6 | Very high | 164 Ų | 164 | 60.9 Ų | 60.9 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | trans | -147.2 | 156.3 | 167.2 | 66.9 | -83.2 | 0 | 0 | 0 | 109.9 | R85 | R85-Y97 WeakPolarHBondContact O-CB 3.4Š| ||
| 98 | F | 97.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | trans | -106.3 | 162.4 | 176.2 | -68.9 | -95 | 0 | 0 | 0 | 111.1 | R83 Q84 R85 Y88 L96 D100 P120 A122 A140 | R83-F98 HydrophobicContact CB-CB 3.96Å; R83-F98 HydrophobicContact CB-CD1 4.18Å; R83-F98 HydrophobicContact CB-CD2 4.26Å; R83-F98 HydrophobicContact CB-CG 3.86Å; R83-F98 HydrophobicContact CG-CB 4.28Å; R83-F98 HydrophobicContact CG-CD1 3.59Å; R83-F98 HydrophobicContact CG-CD2 4.36Å; R83-F98 HydrophobicContact CG-CE1 3.97Å; R83-F98 HydrophobicContact CG-CG 3.8Å; Q84-F98 PolarHBondContact O-N 2.93Å; R85-F98 WeakPolarHBondContact CA-O 3.41Å; Y88-F98 HydrophobicContact CE1-CE2 4.44Å; L96-F98 HydrophobicContact CD2-CE2 3.9Å; L96-F98 HydrophobicContact CD2-CZ 4.04Å; L96-F98 HydrophobicContact CG-CE2 4.28Å; F98-D100 VanDerWaalsContact C-N 3.27Å; F98-D100 PolarHBondContact O-N 2.91Å; F98-P120 HydrophobicContact CD1-CG 4.3Å; F98-P120 HydrophobicContact CE1-CB 4.31Å; F98-P120 HydrophobicContact CE1-CG 4.18Å; F98-A122 HydrophobicContact CE2-CB 3.7Å; F98-A122 HydrophobicContact CZ-CB 3.68Å; F98-A140 HydrophobicContact CE1-CB 4.16Å; F98-A140 HydrophobicContact CZ-CB 4.13Å | ||
| 99 | E | 97.8 | Very high | 95.6 | Very high | 164 Ų | 164 | 71 Ų | 71 | 77% | 0.766 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -61.9 | -34.9 | 177.5 | -173.3 | -175.8 | 175.7 | 0 | 0 | 112.6 | R85 | R85-E99 VanDerWaalsContact CZ-O 3.29Å; R85-E99 PolarHBondContact NE-O 2.92Å; R85-E99 PolarHBondContact NH2-O 3.1Å; R85-E99 VanDerWaalsContact NH2-O 3.14Å |
| 100 | D | 98 | Very high | 95.1 | Very high | 29 Ų | 29 | 64 Ų | 64 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -137.7 | 172.4 | -175.8 | 73.6 | -35.8 | 0 | 0 | 0 | 112.9 | N27 R83 F98 | N27-D100 PolarHBondContact ND2-OD2 2.99Å; R83-D100 IonicContact CZ-OD1 3.45Å; R83-D100 IonicContact NE-OD1 3.84Å; R83-D100 IonicContact NH1-OD1 2.65Å; R83-D100 PolarHBondContact NH1-OD1 2.86Å; R83-D100 IonicContact NH1-OD2 3.5Å; F98-D100 VanDerWaalsContact C-N 3.27Å; F98-D100 PolarHBondContact O-N 2.91Å |
| 101 | N | 98.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.214 | 32% | 0.32 | C | S | . | . | trans | -100.4 | 122.7 | 170.4 | -59.6 | -54.6 | 0 | 0 | 0 | 108 | L20 I26 N27 Q84 R85 | L20-N101 HydrophobicContact CD2-CB 3.95Å; I26-N101 HydrophobicContact CB-CB 4.07Å; I26-N101 WeakPolarHBondContact CB-O 3.34Å; I26-N101 HydrophobicContact CG2-CB 3.61Å; N27-N101 PolarHBondContact N-O 3.02Å; Q84-N101 WeakPolarHBondContact CA-OD1 3.47Å; R85-N101 PolarHBondContact N-OD1 2.91Å | ||
| 102 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N27 A29 I82 R83 | N27-A102 HydrophobicContact CB-CB 4.33Å; N27-A102 CarbonylContact O-C 3.57Å; N27-A102 VanDerWaalsContact O-CA 3.29Å; N27-A102 WeakPolarHBondContact O-CA 3.36Å; A29-A102 HydrophobicContact CB-CB 4.16Å; I82-A102 HydrophobicContact CD1-CB 4.26Å; I82-A102 HydrophobicContact CG1-CB 4.05Å; I82-A102 VanDerWaalsContact CG1-O 3.3Å; I82-A102 WeakPolarHBondContact CG1-O 3.43Å; I82-A102 PolarHBondContact N-O 3.02Å; R83-A102 HydrophobicContact CB-CB 4.13Å; R83-A102 PolarHBondContact N-O 3.06Å; R83-A102 PolarHBondContact O-N 2.8Å; R83-A102 VanDerWaalsContact O-N 3.15Å |
| 103 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 166 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N27 C28 A29 V80 | N27-G103 PolarHBondContact O-N 3.1Å; C28-G103 WeakPolarHBondContact CA-O 3.19Å; A29-G103 PolarHBondContact N-O 2.65Å; V80-G103 CarbonylContact O-C 3.54Å; V80-G103 WeakPolarHBondContact O-CA 3.45Å |
| 104 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.5 | 178.4 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | A29 D30 A79 V80 I82 I117 I132 | A29-V104 HydrophobicContact CB-CG1 4.23Å; D30-V104 HydrophobicContact CB-CB 4.33Å; D30-V104 HydrophobicContact CB-CG1 3.94Å; A79-V104 CarbonylContact C-O 3.52Å; A79-V104 WeakPolarHBondContact CA-O 3.41Å; A79-V104 WeakPolarHBondContact CB-O 3.38Å; V80-V104 HydrophobicContact CB-CG2 4.4Å; V80-V104 PolarHBondContact N-O 2.82Å; V80-V104 PolarHBondContact O-N 2.78Å; I82-V104 HydrophobicContact CD1-CG1 4.34Å; I82-V104 HydrophobicContact CG2-CG1 4.43Å; I82-V104 HydrophobicContact CG2-CG2 3.68Å; V104-I117 HydrophobicContact CG1-CD1 4.13Å; V104-I117 HydrophobicContact CG1-CG1 4.07Å; V104-I117 HydrophobicContact CG1-CG2 4.23Å; V104-I132 HydrophobicContact CG2-CD1 3.71Å; V104-I132 HydrophobicContact CG2-CG1 4.25Å |
| 105 | I | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 132 | 179.1 | -62.2 | -179.8 | 0 | 0 | 0 | 108.9 | D30 A34 L37 V65 H77 K113 | D30-I105 WeakPolarHBondContact OD2-CB 3.47Å; D30-I105 PolarHBondContact OD2-N 3.2Å; A34-I105 HydrophobicContact CB-CD1 3.73Å; L37-I105 HydrophobicContact CD1-CG1 4.44Å; L37-I105 HydrophobicContact CD2-CD1 3.96Å; L37-I105 HydrophobicContact CD2-CG1 3.9Å; V65-I105 HydrophobicContact CG2-CD1 4.07Å; H77-I105 HydrophobicContact CB-CG2 3.99Å; I105-K113 HydrophobicContact CG2-CB 4.1Å; I105-K113 HydrophobicContact CG2-CD 4.15Å; I105-K113 PolarHBondContact O-N 3.26Å |
| 106 | V | 96.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -127.4 | 163.1 | 179 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | M60 P78 V80 E111 I132 | M60-V106 HydrophobicContact CE-CG2 3.72Å; P78-V106 HydrophobicContact CB-CG2 3.89Å; P78-V106 PolarHBondContact O-N 3.3Å; P78-V106 VanDerWaalsContact O-O 3.09Å; V80-V106 HydrophobicContact CB-CG1 4.45Å; V80-V106 HydrophobicContact CG2-CG1 3.96Å; V80-V106 HydrophobicContact CG2-CG2 3.99Å; V106-E111 CarbonylContact C-O 3.48Å; V106-E111 WeakPolarHBondContact CA-O 3.13Å; V106-E111 WeakPolarHBondContact CB-O 3.43Å; V106-I132 HydrophobicContact CG1-CD1 4.36Å |
| 107 | N | 93.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -79.3 | 176.3 | 169 | 72.2 | 14.3 | 0 | 0 | 0 | 111 | K109 G110 E111 | N107-K109 PolarHBondContact O-N 3.5Å; N107-K109 VanDerWaalsContact O-N 3.1Å; N107-K109 WeakPolarHBondContact OD1-CA 3.4Å; N107-K109 VanDerWaalsContact OD1-CB 3.31Å; N107-K109 WeakPolarHBondContact OD1-CB 3.2Å; N107-K109 PolarHBondContact OD1-N 2.84Å; N107-G110 PolarHBondContact O-N 2.84Å; N107-G110 PolarHBondContact OD1-N 2.86Å; N107-E111 PolarHBondContact N-O 2.95Å; N107-E111 PolarHBondContact ND2-OE2 3.5Å; N107-E111 PolarHBondContact OD1-N 2.83Å; N107-E111 PolarHBondContact OD1-O 2.94Å | ||
| 108 | N | 88.4 | Confident | 94.6 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 69% | 0.69 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.7 | 179.3 | -70 | -14.5 | 0 | 0 | 0 | 114 | P78 | P78-N108 WeakPolarHBondContact CG-OD1 3.34Š|
| 109 | K | 87.1 | Confident | 94.5 | Very high | 130 Ų | 130 | 51 Ų | 51 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.8 | 174.4 | -59.2 | 179.8 | -179 | 174.2 | 0 | 112.3 | G8 N107 E111 | G8-K109 WeakPolarHBondContact CA-O 3.32Å; G8-K109 PolarHBondContact N-O 3.32Å; N107-K109 PolarHBondContact O-N 3.5Å; N107-K109 VanDerWaalsContact O-N 3.1Å; N107-K109 WeakPolarHBondContact OD1-CA 3.4Å; N107-K109 VanDerWaalsContact OD1-CB 3.31Å; N107-K109 WeakPolarHBondContact OD1-CB 3.2Å; N107-K109 PolarHBondContact OD1-N 2.84Å; K109-E111 HydrophobicContact CB-CG 4.45Å |
| 110 | G | 85.7 | Confident | 94.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 90.3 | 14.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | N107 | N107-G110 PolarHBondContact O-N 2.84Å; N107-G110 PolarHBondContact OD1-N 2.86Å |
| 111 | E | 90.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 25% | 0.249 | S | C | . | . | trans | -85.6 | 140.4 | 171.4 | -53.3 | 167.8 | 135.8 | 0 | 0 | 109.1 | V106 N107 K109 R131 | V106-E111 CarbonylContact C-O 3.48Å; V106-E111 WeakPolarHBondContact CA-O 3.13Å; V106-E111 WeakPolarHBondContact CB-O 3.43Å; N107-E111 PolarHBondContact N-O 2.95Å; N107-E111 PolarHBondContact ND2-OE2 3.5Å; N107-E111 PolarHBondContact OD1-N 2.83Å; N107-E111 PolarHBondContact OD1-O 2.94Å; K109-E111 HydrophobicContact CB-CG 4.45Å; E111-R131 HydrophobicContact CG-CG 4.44Å | ||
| 112 | M | 92.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 142.8 | -178.8 | 62.7 | 174.6 | 51.2 | 0 | 0 | 112.5 | G114 I117 R131 I132 N135 | M112-G114 VanDerWaalsContact CG-O 3.22Å; M112-G114 WeakPolarHBondContact CG-O 3.32Å; M112-G114 VanDerWaalsContact SD-O 3.37Å; M112-I117 HydrophobicContact CE-CD1 3.8Å; M112-I117 HydrophobicContact CE-CG1 4.05Å; M112-R131 WeakPolarHBondContact CE-O 3.37Å; M112-I132 HydrophobicContact CE-CB 4.41Å; M112-I132 HydrophobicContact CE-CG1 4.18Å; M112-N135 HydrophobicContact CE-CB 3.75Å; M112-N135 HydrophobicContact SD-CB 3.69Å; M112-N135 VanDerWaalsContact SD-CG 3.6Å; M112-N135 PolarHBondContact SD-ND2 2.9Å; M112-N135 VanDerWaalsContact SD-ND2 3.38Å |
| 113 | K | 93.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 47 Ų | 47 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -83.6 | -34.4 | 172.5 | -173 | 177.8 | -179.5 | 178.8 | 0 | 111.8 | T32 I105 | T32-K113 HydrophobicContact CG2-CB 3.98Å; T32-K113 HydrophobicContact CG2-CD 4.38Å; T32-K113 HydrophobicContact CG2-CG 4.06Å; I105-K113 HydrophobicContact CG2-CB 4.1Å; I105-K113 HydrophobicContact CG2-CD 4.15Å; I105-K113 PolarHBondContact O-N 3.26Å |
| 114 | G | 93.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -74.7 | 176.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | N31 T32 M112 | N31-G114 VanDerWaalsContact OD1-CA 3.32Å; N31-G114 WeakPolarHBondContact OD1-CA 3.27Å; T32-G114 VanDerWaalsContact CG2-N 3.34Å; M112-G114 VanDerWaalsContact CG-O 3.22Å; M112-G114 WeakPolarHBondContact CG-O 3.32Å; M112-G114 VanDerWaalsContact SD-O 3.37Å |
| 115 | S | 94.4 | Very high | 94 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -110.2 | -21.1 | 178.5 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | N31 N135 | N31-S115 PolarHBondContact OD1-N 2.92Å; S115-N135 PolarHBondContact O-OD1 2.93Å |
| 116 | A | 94.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 49 Ų | 49 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | trans | -143.6 | 150.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D30 N31 | D30-A116 WeakPolarHBondContact CA-O 3.34Å; N31-A116 PolarHBondContact N-O 3.36Å; N31-A116 PolarHBondContact OD1-N 2.55Å | ||
| 117 | I | 96.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.1 | 176.1 | -53.6 | -179.2 | 0 | 0 | 0 | 109.5 | A29 I82 V104 M112 V121 I132 N135 | A29-I117 HydrophobicContact CB-CG2 4.09Å; A29-I117 CarbonylContact O-C 3.47Å; A29-I117 WeakPolarHBondContact O-CA 3.27Å; I82-I117 HydrophobicContact CD1-CG2 3.82Å; V104-I117 HydrophobicContact CG1-CD1 4.13Å; V104-I117 HydrophobicContact CG1-CG1 4.07Å; V104-I117 HydrophobicContact CG1-CG2 4.23Å; M112-I117 HydrophobicContact CE-CD1 3.8Å; M112-I117 HydrophobicContact CE-CG1 4.05Å; I117-V121 HydrophobicContact CD1-CG2 4.06Å; I117-V121 HydrophobicContact CG2-CG2 3.94Å; I117-I132 HydrophobicContact CD1-CB 4.39Å; I117-I132 HydrophobicContact CD1-CG2 3.56Å; I117-N135 PolarHBondContact N-O 2.83Å |
| 118 | T | 95.9 | Very high | 93.8 | Very high | 102 Ų | 102 | 51.8 Ų | 51.8 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.5 | 173.8 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | A29 R83 | A29-T118 PolarHBondContact O-N 3.27Å; R83-T118 PolarHBondContact NH2-O 2.74Å |
| 119 | G | 95.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.9 | -174.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 120 | P | 96.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 154.4 | -175.7 | 29.5 | -33.4 | 0 | 0 | 0 | 112.3 | R83 F98 S138 | R83-P120 WeakPolarHBondContact CD-O 3.34Å; R83-P120 WeakPolarHBondContact CG-O 3.47Å; R83-P120 PolarHBondContact NE-O 3.22Å; F98-P120 HydrophobicContact CD1-CG 4.3Å; F98-P120 HydrophobicContact CE1-CB 4.31Å; F98-P120 HydrophobicContact CE1-CG 4.18Å; P120-S138 WeakPolarHBondContact CA-O 3.44Å; P120-S138 WeakPolarHBondContact CA-OG 3.31Å; P120-S138 WeakPolarHBondContact CB-OG 3.26Å |
| 121 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.6 | 171.7 | 175.5 | 0 | 0 | 0 | 0 | 109 | I82 I117 C125 I132 A136 S138 I139 A140 | I82-V121 HydrophobicContact CB-CG1 4.19Å; I82-V121 HydrophobicContact CB-CG2 4.35Å; I82-V121 HydrophobicContact CD1-CG2 4.11Å; I82-V121 HydrophobicContact CG2-CG1 4.31Å; I117-V121 HydrophobicContact CD1-CG2 4.06Å; I117-V121 HydrophobicContact CG2-CG2 3.94Å; V121-C125 HydrophobicContact CG1-CB 3.98Å; V121-I132 HydrophobicContact CG1-CG2 4.08Å; V121-I132 HydrophobicContact CG2-CG2 4.49Å; V121-A136 HydrophobicContact CB-CB 3.96Å; V121-A136 HydrophobicContact CG2-CB 3.6Å; V121-S138 PolarHBondContact N-O 3.45Å; V121-I139 VanDerWaalsContact O-CA 3.28Å; V121-I139 WeakPolarHBondContact O-CA 3.21Å; V121-A140 PolarHBondContact O-N 3.33Å |
| 122 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -65.9 | 138.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V57 I82 Y88 F98 E124 C125 A126 A140 | V57-A122 HydrophobicContact CB-CB 4.44Å; V57-A122 HydrophobicContact CG1-CB 3.36Å; V57-A122 HydrophobicContact CG2-CB 4.24Å; I82-A122 VanDerWaalsContact O-CB 3.32Å; I82-A122 WeakPolarHBondContact O-CB 3.34Å; I82-A122 PolarHBondContact O-N 3.42Å; I82-A122 VanDerWaalsContact O-N 3.11Å; Y88-A122 WeakPolarHBondContact OH-CB 3.21Å; F98-A122 HydrophobicContact CE2-CB 3.7Å; F98-A122 HydrophobicContact CZ-CB 3.68Å; A122-E124 PolarHBondContact O-N 2.88Å; A122-C125 WeakPolarHBondContact O-CA 3.31Å; A122-C125 WeakPolarHBondContact O-CB 3Å; A122-C125 PolarHBondContact O-N 2.77Å; A122-A126 PolarHBondContact O-N 3.07Å; A122-A140 CarbonylContact C-O 3.58Å; A122-A140 WeakPolarHBondContact CA-O 3.08Å | ||
| 123 | K | 95.7 | Very high | 94.9 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -51.6 | -41.3 | 176.8 | -177 | 178 | 178.1 | 178.4 | 0 | 112.3 | C125 A126 D127 I139 A140 | K123-C125 PolarHBondContact O-N 3.04Å; K123-A126 PolarHBondContact O-N 3.39Å; K123-D127 VanDerWaalsContact O-CG 3.28Å; K123-D127 PolarHBondContact O-N 2.84Å; K123-I139 HydrophobicContact CB-CG2 4.11Å; K123-A140 WeakPolarHBondContact CB-O 3.37Å; K123-A140 PolarHBondContact N-O 3.09Å |
| 124 | E | 95.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -29.9 | 178.9 | -62.9 | 75 | -165 | 0 | 0 | 112.5 | V57 Y88 R90 A122 L128 | V57-E124 HydrophobicContact CG1-CB 4.01Å; Y88-E124 HydrophobicContact CE2-CG 4.23Å; Y88-E124 WeakPolarHBondContact CE2-OE2 3.3Å; Y88-E124 PolarHBondContact OH-OE2 2.76Å; R90-E124 WeakPolarHBondContact CG-OE1 3.31Å; R90-E124 IonicContact CZ-OE1 3.6Å; R90-E124 IonicContact NE-OE1 2.83Å; R90-E124 PolarHBondContact NE-OE1 2.83Å; R90-E124 IonicContact NE-OE2 4Å; R90-E124 IonicContact NH2-OE1 3.51Å; R90-E124 IonicContact NH2-OE2 3.43Å; R90-E124 PolarHBondContact NH2-OE2 2.74Å; A122-E124 PolarHBondContact O-N 2.88Å; E124-L128 VanDerWaalsContact O-CD1 3.31Å; E124-L128 WeakPolarHBondContact O-CD1 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.08Å |
| 125 | C | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78.9 | -41.7 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | V57 V121 A122 K123 L128 W129 | V57-C125 HydrophobicContact CG1-CB 3.93Å; V121-C125 HydrophobicContact CG1-CB 3.98Å; A122-C125 WeakPolarHBondContact O-CA 3.31Å; A122-C125 WeakPolarHBondContact O-CB 3Å; A122-C125 PolarHBondContact O-N 2.77Å; K123-C125 PolarHBondContact O-N 3.04Å; C125-L128 PolarHBondContact O-N 3.12Å; C125-W129 PolarHBondContact O-N 2.73Å |
| 126 | A | 95 | Very high | 94.9 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A122 K123 L128 W129 A133 I139 | A122-A126 PolarHBondContact O-N 3.07Å; K123-A126 PolarHBondContact O-N 3.39Å; A126-L128 PolarHBondContact O-N 2.8Å; A126-W129 PolarHBondContact O-N 3.4Å; A126-A133 HydrophobicContact CB-CB 3.84Å; A126-I139 HydrophobicContact CB-CD1 3.87Å; A126-I139 HydrophobicContact CB-CG1 4.24Å; A126-I139 HydrophobicContact CB-CG2 3.91Å |
| 127 | D | 93.7 | Very high | 94.7 | Very high | 105 Ų | 105 | 46 Ų | 46 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.4 | -32.1 | 178.5 | -69 | -13.4 | 0 | 0 | 0 | 112.1 | K123 | K123-D127 VanDerWaalsContact O-CG 3.28Å; K123-D127 PolarHBondContact O-N 2.84Å |
| 128 | L | 93.7 | Very high | 94.6 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -87.1 | -31.5 | -179 | -66.5 | 173.1 | 0 | 0 | 0 | 113.2 | S9 S10 K13 E124 C125 A126 P130 | S9-L128 CarbonylContact C-O 3.57Å; S9-L128 WeakPolarHBondContact CA-O 3.46Å; S10-L128 PolarHBondContact N-O 3.41Å; S10-L128 VanDerWaalsContact O-CD2 3.27Å; S10-L128 WeakPolarHBondContact O-CD2 3.28Å; K13-L128 HydrophobicContact CB-CD1 3.72Å; K13-L128 HydrophobicContact CB-CD2 4.39Å; K13-L128 HydrophobicContact CD-CD1 4.16Å; K13-L128 HydrophobicContact CG-CD1 3.95Å; E124-L128 VanDerWaalsContact O-CD1 3.31Å; E124-L128 WeakPolarHBondContact O-CD1 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.08Å; C125-L128 PolarHBondContact O-N 3.12Å; A126-L128 PolarHBondContact O-N 2.8Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å |
| 129 | W | 94.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | trans | -125.7 | 88.5 | -169.1 | -59.2 | 102.2 | 0 | 0 | 0 | 110.7 | G58 M60 V80 C125 A126 R131 I132 A133 | G58-W129 PolarHBondContact O-NE1 2.76Å; M60-W129 HydrophobicContact CB-CH2 4.39Å; M60-W129 HydrophobicContact CB-CZ2 4.16Å; M60-W129 HydrophobicContact CE-CH2 3.4Å; M60-W129 HydrophobicContact CE-CZ2 4.18Å; M60-W129 HydrophobicContact CE-CZ3 3.87Å; M60-W129 HydrophobicContact SD-CH2 4.49Å; V80-W129 HydrophobicContact CG1-CG 4.3Å; V80-W129 HydrophobicContact CG2-CD2 4.16Å; V80-W129 HydrophobicContact CG2-CH2 4.46Å; V80-W129 HydrophobicContact CG2-CZ2 3.96Å; C125-W129 PolarHBondContact O-N 2.73Å; A126-W129 PolarHBondContact O-N 3.4Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 2.9Å; W129-I132 HydrophobicContact CB-CB 3.84Å; W129-I132 HydrophobicContact CB-CD1 3.67Å; W129-I132 HydrophobicContact CB-CG1 3.83Å; W129-I132 HydrophobicContact CG-CD1 3.92Å; W129-I132 WeakPolarHBondContact O-CA 3.34Å; W129-I132 WeakPolarHBondContact O-CB 3.45Å; W129-I132 PolarHBondContact O-N 3.24Å; W129-A133 PolarHBondContact O-N 3.14Å | ||
| 130 | P | 92.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.3 | -39.6 | -173.2 | -27 | 34.4 | 0 | 0 | 0 | 113.4 | G8 S10 L128 I132 A133 S134 | G8-P130 WeakPolarHBondContact O-CD 3.49Å; S10-P130 WeakPolarHBondContact OG-CD 3.48Å; S10-P130 WeakPolarHBondContact OG-CG 3.39Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 3.09Å; P130-A133 WeakPolarHBondContact O-CB 3.36Å; P130-A133 PolarHBondContact O-N 3Å; P130-S134 PolarHBondContact O-N 2.8Å; P130-S134 PolarHBondContact O-OG 2.97Å |
| 131 | R | 91.7 | Very high | 94.3 | Very high | 152 Ų | 152 | 49.1 Ų | 49.1 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.8 | -30.9 | 177.8 | -65.6 | -60.5 | -170.2 | -174.5 | 1.1 | 112.8 | E111 M112 W129 N135 | E111-R131 HydrophobicContact CG-CG 4.44Å; M112-R131 WeakPolarHBondContact CE-O 3.37Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 2.9Å; R131-N135 PolarHBondContact O-ND2 2.9Å |
| 132 | I | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.8 | -45.9 | 173.6 | -63.6 | -179 | 0 | 0 | 0 | 109.4 | V80 I82 V104 V106 M112 I117 V121 W129 P130 S134 N135 A136 | V80-I132 HydrophobicContact CB-CD1 3.72Å; V80-I132 HydrophobicContact CG1-CD1 3.74Å; V80-I132 HydrophobicContact CG2-CD1 4.05Å; I82-I132 HydrophobicContact CG2-CG2 4.08Å; V104-I132 HydrophobicContact CG2-CD1 3.71Å; V104-I132 HydrophobicContact CG2-CG1 4.25Å; V106-I132 HydrophobicContact CG1-CD1 4.36Å; M112-I132 HydrophobicContact CE-CB 4.41Å; M112-I132 HydrophobicContact CE-CG1 4.18Å; I117-I132 HydrophobicContact CD1-CB 4.39Å; I117-I132 HydrophobicContact CD1-CG2 3.56Å; V121-I132 HydrophobicContact CG1-CG2 4.08Å; V121-I132 HydrophobicContact CG2-CG2 4.49Å; W129-I132 HydrophobicContact CB-CB 3.84Å; W129-I132 HydrophobicContact CB-CD1 3.67Å; W129-I132 HydrophobicContact CB-CG1 3.83Å; W129-I132 HydrophobicContact CG-CD1 3.92Å; W129-I132 WeakPolarHBondContact O-CA 3.34Å; W129-I132 WeakPolarHBondContact O-CB 3.45Å; W129-I132 PolarHBondContact O-N 3.24Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 3.09Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.85Å; I132-N135 PolarHBondContact O-N 3.13Å; I132-A136 PolarHBondContact O-N 3.11Å |
| 133 | A | 93.8 | Very high | 94 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A126 W129 P130 N135 A136 I139 | A126-A133 HydrophobicContact CB-CB 3.84Å; W129-A133 PolarHBondContact O-N 3.14Å; P130-A133 WeakPolarHBondContact O-CB 3.36Å; P130-A133 PolarHBondContact O-N 3Å; A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 PolarHBondContact O-N 3.38Å; A133-A136 PolarHBondContact O-N 3.28Å; A133-I139 HydrophobicContact CB-CD1 4.39Å |
| 134 | S | 92.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.4 | -22.4 | -177.6 | -57 | 0 | 0 | 0 | 0 | 115.1 | P130 I132 | P130-S134 PolarHBondContact O-N 2.8Å; P130-S134 PolarHBondContact O-OG 2.97Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.85Å |
| 135 | N | 94.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 11.1 | -178.5 | -58.7 | -84.7 | 0 | 0 | 0 | 112.3 | M112 S115 I117 R131 I132 A133 | M112-N135 HydrophobicContact CE-CB 3.75Å; M112-N135 HydrophobicContact SD-CB 3.69Å; M112-N135 VanDerWaalsContact SD-CG 3.6Å; M112-N135 PolarHBondContact SD-ND2 2.9Å; M112-N135 VanDerWaalsContact SD-ND2 3.38Å; S115-N135 PolarHBondContact O-OD1 2.93Å; I117-N135 PolarHBondContact N-O 2.83Å; R131-N135 PolarHBondContact O-ND2 2.9Å; I132-N135 PolarHBondContact O-N 3.13Å; A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 PolarHBondContact O-N 3.38Å |
| 136 | A | 94.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V121 I132 A133 S138 I139 | V121-A136 HydrophobicContact CB-CB 3.96Å; V121-A136 HydrophobicContact CG2-CB 3.6Å; I132-A136 PolarHBondContact O-N 3.11Å; A133-A136 PolarHBondContact O-N 3.28Å; A136-S138 VanDerWaalsContact C-N 3.33Å; A136-I139 HydrophobicContact CB-CG1 4.24Å |
| 137 | G | 91.3 | Very high | 93.6 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 76% | 0.763 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -28.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 138 | S | 95.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 149.6 | 173.5 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | P120 V121 A136 | P120-S138 WeakPolarHBondContact CA-O 3.44Å; P120-S138 WeakPolarHBondContact CA-OG 3.31Å; P120-S138 WeakPolarHBondContact CB-OG 3.26Å; V121-S138 PolarHBondContact N-O 3.45Å; A136-S138 VanDerWaalsContact C-N 3.33Å |
| 139 | I | 95.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.7 | 177.2 | -60.1 | 169.8 | 0 | 0 | 0 | 107.9 | V121 K123 A126 A133 A136 | V121-I139 VanDerWaalsContact O-CA 3.28Å; V121-I139 WeakPolarHBondContact O-CA 3.21Å; K123-I139 HydrophobicContact CB-CG2 4.11Å; A126-I139 HydrophobicContact CB-CD1 3.87Å; A126-I139 HydrophobicContact CB-CG1 4.24Å; A126-I139 HydrophobicContact CB-CG2 3.91Å; A133-I139 HydrophobicContact CB-CD1 4.39Å; A136-I139 HydrophobicContact CB-CG1 4.24Å |
| 140 | A | 91.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | trans | -115.4 | 0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R90 F98 V121 A122 K123 | R90-A140 VanDerWaalsContact CZ-OXT 3.24Å; R90-A140 PolarHBondContact NH1-OXT 3.06Å; R90-A140 PolarHBondContact NH2-O 3.38Å; R90-A140 PolarHBondContact NH2-OXT 3.26Å; F98-A140 HydrophobicContact CE1-CB 4.16Å; F98-A140 HydrophobicContact CZ-CB 4.13Å; V121-A140 PolarHBondContact O-N 3.33Å; A122-A140 CarbonylContact C-O 3.58Å; A122-A140 WeakPolarHBondContact CA-O 3.08Å; K123-A140 WeakPolarHBondContact CB-O 3.37Å; K123-A140 PolarHBondContact N-O 3.09Å |
Retrieved 140 of 140 residues in 27 ms
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