| 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 | 58 | Low | 87.2 | Confident | 241 Ų | 241 | 120 Ų | 120 | 100% | 1.187 | 59% | 0.585 | S | S | * | * | 0 | 110.4 | 0 | -64.8 | 175.9 | -174.2 | 0 | 0 | 106.3 | D3 | M1-D3 PolarHBondContact O-N 2.96Š| |||
| 2 | T | 69.9 | Low | 88 | Confident | 143 Ų | 143 | 110.2 Ų | 110.2 | 88% | 0.877 | 54% | 0.538 | S | S | * | . | trans | -70.5 | 112.4 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 107.1 | K4 | T2-K4 PolarHBondContact O-N 3.42Å; T2-K4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | D | 76.2 | Confident | 88.7 | Confident | 145 Ų | 145 | 106.6 Ų | 106.6 | 78% | 0.775 | 53% | 0.526 | S | S | * | . | trans | -60.5 | 121.3 | 178.3 | -155.2 | -6.1 | 0 | 0 | 0 | 108.1 | M1 I5 | M1-D3 PolarHBondContact O-N 2.96Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 2.92Å | ||
| 4 | K | 85.3 | Confident | 89.3 | Confident | 197 Ų | 197 | 100.9 Ų | 100.9 | 86% | 0.857 | 50% | 0.502 | S | S | * | . | trans | -79.4 | 89.3 | -172.2 | -172.9 | 177.9 | -179.9 | -179.8 | 0 | 108 | T2 R6 | T2-K4 PolarHBondContact O-N 3.42Å; T2-K4 VanDerWaalsContact O-N 3.15Å; K4-R6 PolarHBondContact O-N 3.28Å | ||
| 5 | I | 90.9 | Very high | 89.6 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 42% | 0.415 | 49% | 0.491 | S | S | . | . | trans | -60.6 | 128.5 | 177.8 | -54.5 | 177 | 0 | 0 | 0 | 109.1 | D3 T7 R62 E63 | D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 2.92Å; I5-T7 PolarHBondContact O-N 2.86Å; I5-R62 HydrophobicContact CG2-CB 3.91Å; I5-R62 HydrophobicContact CG2-CG 4.42Å; I5-E63 HydrophobicContact CG2-CB 4.43Å; I5-E63 WeakPolarHBondContact CG2-O 3.17Å | ||
| 6 | R | 94 | Very high | 89.9 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | trans | -67.3 | 125.8 | 176.9 | -174.5 | -175 | -180 | -176.9 | 2.8 | 110.1 | K4 R62 E63 W73 | K4-R6 PolarHBondContact O-N 3.28Å; R6-R62 WeakPolarHBondContact O-CA 3.23Å; R6-E63 HydrophobicContact CB-CG 4.15Å; R6-E63 VanDerWaalsContact CD-OE1 3.26Å; R6-E63 WeakPolarHBondContact CD-OE1 3.37Å; R6-E63 IonicContact NH1-OE1 3.47Å; R6-E63 PolarHBondContact NH1-OE1 3.44Å; R6-E63 PolarHBondContact O-N 3.35Å; R6-E63 VanDerWaalsContact O-N 3.08Å; R6-W73 HydrophobicContact CG-CH2 4.29Å | ||
| 7 | T | 96 | Very high | 90.2 | Very high | 73 Ų | 73 | 101.8 Ų | 101.8 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.4 | 171.2 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | I5 I61 R62 | I5-T7 PolarHBondContact O-N 2.86Å; T7-I61 CarbonylContact C-O 3.51Å; T7-I61 VanDerWaalsContact CA-O 3.23Å; T7-I61 WeakPolarHBondContact CA-O 3.34Å; T7-R62 HydrophobicContact CG2-CB 4.07Å |
| 8 | L | 96.7 | Very high | 90.4 | Very high | 38 Ų | 38 | 104.7 Ų | 104.7 | 20% | 0.199 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.6 | 173.4 | -66.1 | 177.1 | 0 | 0 | 0 | 109 | I25 L44 E60 I61 W73 | L8-I25 HydrophobicContact CB-CD1 3.98Å; L8-I25 HydrophobicContact CD1-CG1 4.23Å; L8-I25 HydrophobicContact CD1-CG2 4.39Å; L8-L44 HydrophobicContact CD1-CD1 4.12Å; L8-E60 WeakPolarHBondContact O-CA 3.4Å; L8-I61 HydrophobicContact CB-CD1 4.43Å; L8-I61 HydrophobicContact CB-CG1 4.01Å; L8-I61 PolarHBondContact N-O 2.82Å; L8-I61 WeakPolarHBondContact O-CG1 3.35Å; L8-I61 PolarHBondContact O-N 2.91Å; L8-W73 HydrophobicContact CB-CH2 4.41Å; L8-W73 HydrophobicContact CB-CZ3 4.11Å; L8-W73 HydrophobicContact CD1-CH2 3.25Å; L8-W73 HydrophobicContact CD1-CZ2 3.81Å; L8-W73 HydrophobicContact CD1-CZ3 3.77Å; L8-W73 HydrophobicContact CG-CH2 3.65Å; L8-W73 HydrophobicContact CG-CZ3 3.82Å |
| 9 | Q | 97.6 | Very high | 90.7 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.7 | 172 | -67.5 | 179.9 | 5.2 | 0 | 0 | 109.6 | I25 V59 E60 | Q9-I25 WeakPolarHBondContact O-CD1 3.38Å; Q9-V59 VanDerWaalsContact CA-O 3.31Å; Q9-V59 WeakPolarHBondContact CA-O 3.32Å; Q9-E60 HydrophobicContact CG-CB 4.02Å; Q9-E60 HydrophobicContact CG-CG 3.99Å; Q9-E60 PolarHBondContact NE2-OE1 2.84Å |
| 10 | G | 96.9 | Very high | 91 | Very high | 11 Ų | 11 | 99.3 Ų | 99.3 | 11% | 0.113 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | -177.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A24 V58 V59 | G10-A24 WeakPolarHBondContact CA-O 3.35Å; G10-V58 WeakPolarHBondContact O-CA 3.37Å; G10-V59 PolarHBondContact N-O 3.22Å; G10-V59 PolarHBondContact O-N 2.83Å |
| 11 | R | 97.5 | Very high | 91.2 | Very high | 149 Ų | 149 | 94.7 Ų | 94.7 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.6 | -173.3 | -161.7 | 175.4 | -164.1 | -159.1 | -1 | 111.6 | V13 V23 A24 G56 D57 | R11-V13 PolarHBondContact O-N 2.72Å; R11-V23 CarbonylContact O-C 3.58Å; R11-V23 WeakPolarHBondContact O-CA 3.45Å; R11-A24 PolarHBondContact N-O 3.3Å; R11-A24 PolarHBondContact O-N 2.8Å; R11-G56 WeakPolarHBondContact CG-O 3.39Å; R11-G56 PolarHBondContact NE-O 2.88Å; R11-G56 PolarHBondContact NH2-O 3.41Å; R11-D57 CarbonylContact C-O 3.53Å; R11-D57 VanDerWaalsContact CA-O 3.31Å; R11-D57 WeakPolarHBondContact CA-O 3.26Å |
| 12 | V | 97.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.6 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I21 V23 C53 G54 G56 D57 V59 | V12-I21 HydrophobicContact CG1-CB 4.25Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; V12-V23 HydrophobicContact CG2-CG2 4.41Å; V12-C53 HydrophobicContact CG2-CB 4.18Å; V12-G54 VanDerWaalsContact CB-O 3.26Å; V12-G54 WeakPolarHBondContact CB-O 3.46Å; V12-G54 WeakPolarHBondContact CG1-O 3.41Å; V12-G56 PolarHBondContact O-N 2.86Å; V12-D57 HydrophobicContact CG2-CB 4.08Å; V12-D57 PolarHBondContact N-O 3.01Å; V12-V59 HydrophobicContact CG2-CB 4.46Å; V12-V59 HydrophobicContact CG2-CG1 3.69Å; V12-V59 HydrophobicContact CG2-CG2 3.84Å |
| 13 | V | 97.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -25.6 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | R11 V22 A24 | R11-V13 PolarHBondContact O-N 2.72Å; V13-V22 PolarHBondContact N-O 3.39Å; V13-A24 HydrophobicContact CG2-CB 3.43Å; V13-A24 VanDerWaalsContact CG2-CB 3.43Å |
| 14 | S | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 133.3 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | I21 V22 | S14-I21 CarbonylContact O-C 3.58Å; S14-I21 WeakPolarHBondContact O-CA 3.45Å; S14-V22 PolarHBondContact N-O 3.3Å; S14-V22 PolarHBondContact O-N 2.88Å |
| 15 | D | 94 | Very high | 96.1 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 5.3 | 175.6 | 59.4 | -3 | 0 | 0 | 0 | 112.5 | M17 I21 I55 | D15-M17 PolarHBondContact O-N 3.4Å; D15-I21 HydrophobicContact CB-CG2 4.4Å; D15-I55 HydrophobicContact CB-CG1 4.39Å; D15-I55 WeakPolarHBondContact OD1-CD1 3.4Å; D15-I55 WeakPolarHBondContact OD1-CG1 3.46Å; D15-I55 PolarHBondContact OD2-N 2.98Å |
| 16 | K | 94.9 | Very high | 96.4 | Very high | 185 Ų | 185 | 63.5 Ų | 63.5 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -12 | -175.4 | -61.2 | -177.9 | 178.8 | -176.3 | 0 | 116 | ||
| 17 | M | 93.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.5 | -174.2 | -68.6 | 177.3 | -63.9 | 0 | 0 | 109.9 | D15 K19 S20 V22 | D15-M17 PolarHBondContact O-N 3.4Å; M17-K19 PolarHBondContact O-N 2.88Å; M17-S20 PolarHBondContact O-N 2.84Å; M17-V22 HydrophobicContact CE-CG2 3.52Å |
| 18 | E | 94.3 | Very high | 96.5 | Very high | 154 Ų | 154 | 66.9 Ų | 66.9 | 72% | 0.72 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 132.5 | 176.5 | -161.3 | -173.1 | 169.9 | 0 | 0 | 111.1 | S20 | E18-S20 PolarHBondContact O-N 2.82Å; E18-S20 PolarHBondContact O-OG 2.84Å |
| 19 | K | 95.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 27.1 | -179.1 | -61 | -178.2 | -178 | -173 | 0 | 114.8 | M17 H47 D48 N51 K71 | M17-K19 PolarHBondContact O-N 2.88Å; K19-H47 PolarHBondContact O-ND1 2.85Å; K19-D48 CarbonylContact C-O 3.11Å; K19-D48 WeakPolarHBondContact CA-O 3.39Å; K19-D48 VanDerWaalsContact CB-O 3.28Å; K19-D48 WeakPolarHBondContact CB-O 3.37Å; K19-D48 PolarHBondContact O-N 2.83Å; K19-N51 WeakPolarHBondContact CA-OD1 3.39Å; K19-N51 PolarHBondContact N-OD1 3.4Å; K19-K71 PolarHBondContact O-NZ 3.28Å |
| 20 | S | 96.7 | Very high | 96.4 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 125 | -169.8 | -41 | 0 | 0 | 0 | 0 | 111.3 | M17 E18 V46 K71 | M17-S20 PolarHBondContact O-N 2.84Å; E18-S20 PolarHBondContact O-N 2.82Å; E18-S20 PolarHBondContact O-OG 2.84Å; S20-V46 WeakPolarHBondContact CA-O 3.32Å; S20-K71 WeakPolarHBondContact OG-CE 3.33Å; S20-K71 PolarHBondContact OG-NZ 3.49Å |
| 21 | I | 96.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 152.7 | 173.1 | 64.9 | -179 | 0 | 0 | 0 | 110.4 | V12 S14 D15 V23 V46 D48 C53 | V12-I21 HydrophobicContact CG1-CB 4.25Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; S14-I21 CarbonylContact O-C 3.58Å; S14-I21 WeakPolarHBondContact O-CA 3.45Å; D15-I21 HydrophobicContact CB-CG2 4.4Å; I21-V23 HydrophobicContact CD1-CG2 3.97Å; I21-V23 HydrophobicContact CG1-CG2 3.98Å; I21-V46 HydrophobicContact CD1-CB 4.43Å; I21-V46 HydrophobicContact CD1-CG1 4.43Å; I21-V46 HydrophobicContact CG1-CB 3.78Å; I21-V46 HydrophobicContact CG1-CG1 4.24Å; I21-V46 PolarHBondContact N-O 3.37Å; I21-V46 PolarHBondContact O-N 2.85Å; I21-D48 HydrophobicContact CD1-CB 4.41Å; I21-D48 HydrophobicContact CG2-CB 4.24Å; I21-C53 HydrophobicContact CD1-CB 3.63Å; I21-C53 HydrophobicContact CG2-CB 4.06Å |
| 22 | V | 98.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 69.3 Ų | 69.3 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.3 | 172.2 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | V13 S14 M17 K43 L44 | V13-V22 PolarHBondContact N-O 3.39Å; S14-V22 PolarHBondContact N-O 3.3Å; S14-V22 PolarHBondContact O-N 2.88Å; M17-V22 HydrophobicContact CE-CG2 3.52Å; V22-K43 HydrophobicContact CG1-CB 3.91Å; V22-K43 HydrophobicContact CG1-CD 4.25Å; V22-K43 HydrophobicContact CG1-CG 4.32Å; V22-L44 WeakPolarHBondContact CA-O 3.42Å |
| 23 | V | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.5 | -180 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | R11 V12 I21 I25 K43 L44 V46 V59 I61 | R11-V23 CarbonylContact O-C 3.58Å; R11-V23 WeakPolarHBondContact O-CA 3.45Å; V12-V23 HydrophobicContact CG2-CG2 4.41Å; I21-V23 HydrophobicContact CD1-CG2 3.97Å; I21-V23 HydrophobicContact CG1-CG2 3.98Å; V23-I25 HydrophobicContact CG1-CD1 3.84Å; V23-K43 CarbonylContact O-C 3.58Å; V23-K43 WeakPolarHBondContact O-CA 3.29Å; V23-L44 PolarHBondContact N-O 3.42Å; V23-L44 PolarHBondContact O-N 2.8Å; V23-V46 HydrophobicContact CB-CG2 3.99Å; V23-V46 HydrophobicContact CG2-CB 4.18Å; V23-V46 HydrophobicContact CG2-CG2 3.6Å; V23-V59 HydrophobicContact CB-CG2 4.44Å; V23-V59 HydrophobicContact CG1-CG2 3.89Å; V23-V59 HydrophobicContact CG2-CG2 3.61Å; V23-I61 HydrophobicContact CB-CD1 4.5Å; V23-I61 HydrophobicContact CG1-CD1 4.48Å; V23-I61 HydrophobicContact CG2-CG2 4.31Å |
| 24 | A | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 81.7 Ų | 81.7 | 7% | 0.074 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G10 R11 V13 T41 | G10-A24 WeakPolarHBondContact CA-O 3.35Å; R11-A24 PolarHBondContact N-O 3.3Å; R11-A24 PolarHBondContact O-N 2.8Å; V13-A24 HydrophobicContact CG2-CB 3.43Å; V13-A24 VanDerWaalsContact CG2-CB 3.43Å; A24-T41 HydrophobicContact CB-CG2 3.63Å |
| 25 | I | 97.7 | Very high | 96 | Very high | 18 Ų | 18 | 81.7 Ų | 81.7 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 116.8 | 170.3 | -51.2 | -57.2 | 0 | 0 | 0 | 108.2 | L8 Q9 V23 T41 T42 L44 I61 | L8-I25 HydrophobicContact CB-CD1 3.98Å; L8-I25 HydrophobicContact CD1-CG1 4.23Å; L8-I25 HydrophobicContact CD1-CG2 4.39Å; Q9-I25 WeakPolarHBondContact O-CD1 3.38Å; V23-I25 HydrophobicContact CG1-CD1 3.84Å; I25-T41 CarbonylContact O-C 3.59Å; I25-T41 WeakPolarHBondContact O-CA 3.26Å; I25-T42 PolarHBondContact N-O 3.2Å; I25-T42 PolarHBondContact O-N 3.38Å; I25-L44 HydrophobicContact CG1-CD1 3.7Å; I25-L44 HydrophobicContact CG1-CG 4.31Å; I25-I61 HydrophobicContact CD1-CD1 3.98Å |
| 26 | E | 96.5 | Very high | 96.1 | Very high | 109 Ų | 109 | 86.2 Ų | 86.2 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.6 | 175.3 | -56.9 | -166.2 | 145.4 | 0 | 0 | 110.7 | K39 R40 T41 | E26-K39 HydrophobicContact CB-CD 4.49Å; E26-K39 HydrophobicContact CB-CG 4.44Å; E26-K39 HydrophobicContact CG-CD 4.44Å; E26-K39 IonicContact OE1-NZ 3.58Å; E26-K39 WeakPolarHBondContact OE2-CE 3.38Å; E26-K39 IonicContact OE2-NZ 2.72Å; E26-K39 PolarHBondContact OE2-NZ 2.76Å; E26-R40 CarbonylContact C-O 3.57Å; E26-R40 WeakPolarHBondContact CA-O 3.41Å; E26-T41 HydrophobicContact CG-CG2 4.3Å |
| 27 | R | 95.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 84.1 Ų | 84.1 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.8 | 173.6 | 63 | -176.2 | 177.8 | 105.8 | 1.5 | 110.8 | V29 R40 | R27-V29 HydrophobicContact CG-CG2 4.05Å; R27-R40 HydrophobicContact CG-CB 4.2Å; R27-R40 PolarHBondContact N-O 2.87Å; R27-R40 PolarHBondContact O-N 2.85Å |
| 28 | F | 96.2 | Very high | 96.3 | Very high | 146 Ų | 146 | 83 Ų | 83 | 64% | 0.64 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.2 | 170.1 | -69.1 | -80.4 | 0 | 0 | 0 | 110 | F37 I38 K39 | F28-F37 HydrophobicContact CB-CD1 4.24Å; F28-F37 HydrophobicContact CD1-CB 4.47Å; F28-I38 WeakPolarHBondContact CA-O 3.4Å; F28-K39 HydrophobicContact CD1-CB 4.46Å; F28-K39 HydrophobicContact CE1-CB 4.17Å |
| 29 | V | 95.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.8 | 177.9 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | R27 H31 I38 R40 | R27-V29 HydrophobicContact CG-CG2 4.05Å; V29-H31 PolarHBondContact O-N 3.05Å; V29-I38 PolarHBondContact N-O 2.88Å; V29-I38 VanDerWaalsContact O-CG1 3.29Å; V29-I38 WeakPolarHBondContact O-CG1 3.45Å; V29-I38 PolarHBondContact O-N 2.8Å; V29-R40 HydrophobicContact CB-CG 4.24Å; V29-R40 HydrophobicContact CG2-CB 4.13Å; V29-R40 HydrophobicContact CG2-CG 3.8Å |
| 30 | K | 97.4 | Very high | 96.5 | Very high | 135 Ų | 135 | 83.1 Ų | 83.1 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 125.5 | 173.3 | -169.4 | 174.2 | -177.7 | 179 | 0 | 109.2 | G35 F37 | K30-G35 WeakPolarHBondContact CE-O 3.31Å; K30-G35 WeakPolarHBondContact CG-O 3.45Å; K30-F37 HydrophobicContact CB-CD1 4.39Å; K30-F37 HydrophobicContact CB-CE1 4.16Å |
| 31 | H | 96.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 86 Ų | 86 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | trans | -63.9 | 130 | 172.8 | -173.5 | -72.9 | 0 | 0 | 0 | 109.2 | V29 I33 Y34 G35 K36 | V29-H31 PolarHBondContact O-N 3.05Å; H31-I33 PolarHBondContact ND1-N 3.49Å; H31-I33 PolarHBondContact O-N 3.04Å; H31-Y34 AromaticContact CE1-CD2 3.32Å; H31-Y34 WeakPolarHBondContact CE1-CD2 3.4Å; H31-Y34 AromaticContact CE1-CE2 3.66Å; H31-Y34 AromaticContact CG-CD2 3.92Å; H31-Y34 AromaticContact ND1-CD2 3.37Å; H31-Y34 WeakPolarHBondContact ND1-CD2 3.37Å; H31-Y34 PolarHBondContact ND1-N 2.82Å; H31-Y34 AromaticContact NE2-CD2 3.83Å; H31-G35 VanDerWaalsContact O-CA 3.32Å; H31-G35 WeakPolarHBondContact O-CA 3.49Å; H31-G35 PolarHBondContact O-N 2.86Å; H31-K36 WeakPolarHBondContact CB-O 3.4Å; H31-K36 PolarHBondContact N-O 3.09Å | ||
| 32 | P | 94.1 | Very high | 96.5 | Very high | 123 Ų | 123 | 89 Ų | 89 | 80% | 0.799 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -40.9 | -169.1 | 21.7 | -33.6 | 0 | 0 | 0 | 113.3 | ||
| 33 | I | 96.2 | Very high | 96.5 | Very high | 138 Ų | 138 | 94.7 Ų | 94.7 | 71% | 0.708 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -59.5 | -178.3 | -62 | 164.1 | 0 | 0 | 0 | 111.3 | H31 G35 | H31-I33 PolarHBondContact ND1-N 3.49Å; H31-I33 PolarHBondContact O-N 3.04Å; I33-G35 PolarHBondContact O-N 2.91Å |
| 34 | Y | 95.4 | Very high | 96.4 | Very high | 187 Ų | 187 | 96.2 Ų | 96.2 | 73% | 0.733 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.2 | -173.1 | -54.7 | -62.9 | 0 | 0 | 0 | 115.6 | H31 K36 | H31-Y34 AromaticContact CE1-CD2 3.32Å; H31-Y34 WeakPolarHBondContact CE1-CD2 3.4Å; H31-Y34 AromaticContact CE1-CE2 3.66Å; H31-Y34 AromaticContact CG-CD2 3.92Å; H31-Y34 AromaticContact ND1-CD2 3.37Å; H31-Y34 WeakPolarHBondContact ND1-CD2 3.37Å; H31-Y34 PolarHBondContact ND1-N 2.82Å; H31-Y34 AromaticContact NE2-CD2 3.83Å; Y34-K36 PolarHBondContact O-N 2.82Å |
| 35 | G | 94.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 98.7 Ų | 98.7 | 28% | 0.278 | 47% | 0.466 | S | S | . | . | trans | 67 | -1.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K30 H31 I33 | K30-G35 WeakPolarHBondContact CE-O 3.31Å; K30-G35 WeakPolarHBondContact CG-O 3.45Å; H31-G35 VanDerWaalsContact O-CA 3.32Å; H31-G35 WeakPolarHBondContact O-CA 3.49Å; H31-G35 PolarHBondContact O-N 2.86Å; I33-G35 PolarHBondContact O-N 2.91Å | ||
| 36 | K | 97 | Very high | 96.4 | Very high | 158 Ų | 158 | 97.9 Ų | 97.9 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | trans | -69.2 | 136.5 | 174.9 | -173.5 | 173.3 | -178.1 | 175.9 | 0 | 110.7 | H31 Y34 I38 | H31-K36 WeakPolarHBondContact CB-O 3.4Å; H31-K36 PolarHBondContact N-O 3.09Å; Y34-K36 PolarHBondContact O-N 2.82Å; K36-I38 PolarHBondContact O-N 2.68Å | ||
| 37 | F | 96.6 | Very high | 96.5 | Very high | 141 Ų | 141 | 94.6 Ų | 94.6 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.3 | 170.7 | -72.8 | -82.7 | 0 | 0 | 0 | 110.3 | F28 K30 | F28-F37 HydrophobicContact CB-CD1 4.24Å; F28-F37 HydrophobicContact CD1-CB 4.47Å; K30-F37 HydrophobicContact CB-CD1 4.39Å; K30-F37 HydrophobicContact CB-CE1 4.16Å |
| 38 | I | 96 | Very high | 96.5 | Very high | 47 Ų | 47 | 88.1 Ų | 88.1 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.6 | 175.8 | 59.9 | 170.2 | 0 | 0 | 0 | 109.8 | F28 V29 K36 | F28-I38 WeakPolarHBondContact CA-O 3.4Å; V29-I38 PolarHBondContact N-O 2.88Å; V29-I38 VanDerWaalsContact O-CG1 3.29Å; V29-I38 WeakPolarHBondContact O-CG1 3.45Å; V29-I38 PolarHBondContact O-N 2.8Å; K36-I38 PolarHBondContact O-N 2.68Å |
| 39 | K | 96.4 | Very high | 96.4 | Very high | 109 Ų | 109 | 87.2 Ų | 87.2 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.8 | 173.8 | -173.4 | -177.5 | -77.3 | -157 | 0 | 109.4 | E26 F28 | E26-K39 HydrophobicContact CB-CD 4.49Å; E26-K39 HydrophobicContact CB-CG 4.44Å; E26-K39 HydrophobicContact CG-CD 4.44Å; E26-K39 IonicContact OE1-NZ 3.58Å; E26-K39 WeakPolarHBondContact OE2-CE 3.38Å; E26-K39 IonicContact OE2-NZ 2.72Å; E26-K39 PolarHBondContact OE2-NZ 2.76Å; F28-K39 HydrophobicContact CD1-CB 4.46Å; F28-K39 HydrophobicContact CE1-CB 4.17Å |
| 40 | R | 96.7 | Very high | 96.3 | Very high | 135 Ų | 135 | 90.3 Ų | 90.3 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.4 | 171.4 | -67.3 | -62.9 | -171.5 | 176.8 | -0.1 | 108.8 | E26 R27 V29 | E26-R40 CarbonylContact C-O 3.57Å; E26-R40 WeakPolarHBondContact CA-O 3.41Å; R27-R40 HydrophobicContact CG-CB 4.2Å; R27-R40 PolarHBondContact N-O 2.87Å; R27-R40 PolarHBondContact O-N 2.85Å; V29-R40 HydrophobicContact CB-CG 4.24Å; V29-R40 HydrophobicContact CG2-CB 4.13Å; V29-R40 HydrophobicContact CG2-CG 3.8Å |
| 41 | T | 96.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 87.9 Ų | 87.9 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127 | -178.6 | -52 | 0 | 0 | 0 | 0 | 109.1 | A24 I25 E26 | A24-T41 HydrophobicContact CB-CG2 3.63Å; I25-T41 CarbonylContact O-C 3.59Å; I25-T41 WeakPolarHBondContact O-CA 3.26Å; E26-T41 HydrophobicContact CG-CG2 4.3Å |
| 42 | T | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 90.6 Ų | 90.6 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.6 | 171.7 | -61.3 | 0 | 0 | 0 | 0 | 108.4 | I25 L44 | I25-T42 PolarHBondContact N-O 3.2Å; I25-T42 PolarHBondContact O-N 3.38Å; T42-L44 HydrophobicContact CG2-CD2 4.03Å; T42-L44 HydrophobicContact CG2-CG 4.38Å |
| 43 | K | 97.6 | Very high | 95.7 | Very high | 138 Ų | 138 | 85.1 Ų | 85.1 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.1 | 174.1 | -64.4 | -176.8 | -177.4 | -179.5 | 0 | 109.5 | V22 V23 | V22-K43 HydrophobicContact CG1-CB 3.91Å; V22-K43 HydrophobicContact CG1-CD 4.25Å; V22-K43 HydrophobicContact CG1-CG 4.32Å; V23-K43 CarbonylContact O-C 3.58Å; V23-K43 WeakPolarHBondContact O-CA 3.29Å |
| 44 | L | 97.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.3 | 178.2 | -62.5 | 177.2 | 0 | 0 | 0 | 109.9 | L8 V22 V23 I25 T42 V46 I61 W73 | L8-L44 HydrophobicContact CD1-CD1 4.12Å; V22-L44 WeakPolarHBondContact CA-O 3.42Å; V23-L44 PolarHBondContact N-O 3.42Å; V23-L44 PolarHBondContact O-N 2.8Å; I25-L44 HydrophobicContact CG1-CD1 3.7Å; I25-L44 HydrophobicContact CG1-CG 4.31Å; T42-L44 HydrophobicContact CG2-CD2 4.03Å; T42-L44 HydrophobicContact CG2-CG 4.38Å; L44-V46 HydrophobicContact CB-CG2 4.39Å; L44-I61 HydrophobicContact CD1-CD1 3.88Å; L44-W73 HydrophobicContact CD1-CD2 4Å; L44-W73 HydrophobicContact CD1-CG 4.3Å; L44-W73 HydrophobicContact CD1-CZ2 4.05Å |
| 45 | H | 98 | Very high | 95.6 | Very high | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.8 | 170.6 | -64.8 | -89.7 | 0 | 0 | 0 | 108.9 | T70 K71 | H45-T70 PolarHBondContact CD2-OG1 2.82Å; H45-K71 HydrophobicContact CB-CB 4.14Å; H45-K71 HydrophobicContact CB-CG 4.4Å |
| 46 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.4 | -172 | -178 | 0 | 0 | 0 | 0 | 108.7 | S20 I21 V23 L44 I61 W73 L75 | S20-V46 WeakPolarHBondContact CA-O 3.32Å; I21-V46 HydrophobicContact CD1-CB 4.43Å; I21-V46 HydrophobicContact CD1-CG1 4.43Å; I21-V46 HydrophobicContact CG1-CB 3.78Å; I21-V46 HydrophobicContact CG1-CG1 4.24Å; I21-V46 PolarHBondContact N-O 3.37Å; I21-V46 PolarHBondContact O-N 2.85Å; V23-V46 HydrophobicContact CB-CG2 3.99Å; V23-V46 HydrophobicContact CG2-CB 4.18Å; V23-V46 HydrophobicContact CG2-CG2 3.6Å; L44-V46 HydrophobicContact CB-CG2 4.39Å; V46-I61 HydrophobicContact CB-CG2 4.42Å; V46-I61 HydrophobicContact CG1-CB 4.2Å; V46-I61 HydrophobicContact CG1-CG2 3.64Å; V46-I61 HydrophobicContact CG2-CB 4.39Å; V46-I61 HydrophobicContact CG2-CD1 3.77Å; V46-I61 HydrophobicContact CG2-CG2 3.97Å; V46-W73 CarbonylContact C-O 3.55Å; V46-W73 WeakPolarHBondContact CA-O 3.32Å; V46-W73 HydrophobicContact CB-CB 4.42Å; V46-W73 HydrophobicContact CG1-CB 4.45Å; V46-W73 HydrophobicContact CG2-CB 3.92Å; V46-L75 HydrophobicContact CG1-CB 4.41Å |
| 47 | H | 98.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 67 Ų | 67 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.4 | 170.7 | -163.8 | 35.1 | 0 | 0 | 0 | 110.3 | K19 L67 K71 W73 T74 L75 | K19-H47 PolarHBondContact O-ND1 2.85Å; H47-L67 HydrophobicContact CB-CD1 3.48Å; H47-L67 VanDerWaalsContact CB-CD1 3.48Å; H47-K71 HydrophobicContact CB-CD 3.82Å; H47-W73 PolarHBondContact N-O 2.93Å; H47-T74 PolarHBondContact O-OG1 2.83Å; H47-L75 WeakPolarHBondContact O-CB 3.32Å; H47-L75 PolarHBondContact O-N 3.08Å |
| 48 | D | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | trans | -119.5 | 114.3 | 165.2 | 177.1 | -5.4 | 0 | 0 | 0 | 105.1 | K19 I21 N50 N51 E52 C53 L75 | K19-D48 CarbonylContact C-O 3.11Å; K19-D48 WeakPolarHBondContact CA-O 3.39Å; K19-D48 VanDerWaalsContact CB-O 3.28Å; K19-D48 WeakPolarHBondContact CB-O 3.37Å; K19-D48 PolarHBondContact O-N 2.83Å; I21-D48 HydrophobicContact CD1-CB 4.41Å; I21-D48 HydrophobicContact CG2-CB 4.24Å; D48-N50 PolarHBondContact OD1-N 2.94Å; D48-N51 PolarHBondContact OD1-N 2.86Å; D48-N51 VanDerWaalsContact OD2-C 3.3Å; D48-N51 VanDerWaalsContact OD2-CA 3.3Å; D48-N51 WeakPolarHBondContact OD2-CA 3.31Å; D48-E52 PolarHBondContact OD1-N 3.47Å; D48-E52 PolarHBondContact OD2-N 2.91Å; D48-C53 WeakPolarHBondContact OD2-CB 3.46Å; D48-C53 PolarHBondContact OD2-N 2.64Å; D48-L75 HydrophobicContact CB-CD2 4.32Å | ||
| 49 | E | 93.2 | Very high | 95.7 | Very high | 127 Ų | 127 | 59.9 Ų | 59.9 | 59% | 0.593 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.8 | -33.6 | -174.1 | -176.1 | 167.6 | -166.7 | 0 | 0 | 112.3 | ||
| 50 | N | 94.1 | Very high | 95.7 | Very high | 109 Ų | 109 | 55.7 Ų | 55.7 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -102.4 | -2.1 | -171.4 | -66.4 | -27.3 | 0 | 0 | 0 | 113 | D48 E52 | D48-N50 PolarHBondContact OD1-N 2.94Å; N50-E52 HydrophobicContact CB-CG 3.66Å; N50-E52 VanDerWaalsContact CB-OE1 3.27Å; N50-E52 WeakPolarHBondContact CB-OE1 3.4Å; N50-E52 PolarHBondContact ND2-OE1 3.39Å; N50-E52 PolarHBondContact O-N 3.18Å |
| 51 | N | 91.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | trans | 54 | 40.8 | -172.9 | -53.8 | -54.3 | 0 | 0 | 0 | 111.9 | K19 D48 C53 | K19-N51 WeakPolarHBondContact CA-OD1 3.39Å; K19-N51 PolarHBondContact N-OD1 3.4Å; D48-N51 PolarHBondContact OD1-N 2.86Å; D48-N51 VanDerWaalsContact OD2-C 3.3Å; D48-N51 VanDerWaalsContact OD2-CA 3.3Å; D48-N51 WeakPolarHBondContact OD2-CA 3.31Å; N51-C53 VanDerWaalsContact C-N 3.31Å | ||
| 52 | E | 90.3 | Very high | 95.7 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -74.3 | -23.1 | -178.4 | -75.6 | 169 | -158.7 | 0 | 0 | 112.7 | D48 N50 K81 | D48-E52 PolarHBondContact OD1-N 3.47Å; D48-E52 PolarHBondContact OD2-N 2.91Å; N50-E52 HydrophobicContact CB-CG 3.66Å; N50-E52 VanDerWaalsContact CB-OE1 3.27Å; N50-E52 WeakPolarHBondContact CB-OE1 3.4Å; N50-E52 PolarHBondContact ND2-OE1 3.39Å; N50-E52 PolarHBondContact O-N 3.18Å; E52-K81 PolarHBondContact O-NZ 2.93Å | ||
| 53 | C | 93.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 130.3 | -174.2 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | V12 I21 D48 N51 V59 L75 | V12-C53 HydrophobicContact CG2-CB 4.18Å; I21-C53 HydrophobicContact CD1-CB 3.63Å; I21-C53 HydrophobicContact CG2-CB 4.06Å; D48-C53 WeakPolarHBondContact OD2-CB 3.46Å; D48-C53 PolarHBondContact OD2-N 2.64Å; N51-C53 VanDerWaalsContact C-N 3.31Å; C53-V59 HydrophobicContact CB-CG1 4.45Å; C53-V59 VanDerWaalsContact SG-CG1 3.58Å; C53-L75 VanDerWaalsContact SG-CD1 3.58Å; C53-L75 WeakPolarHBondContact SG-CD2 3.47Å |
| 54 | G | 93.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 24% | 0.237 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -103.1 | 163.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V12 G56 D57 | V12-G54 VanDerWaalsContact CB-O 3.26Å; V12-G54 WeakPolarHBondContact CB-O 3.46Å; V12-G54 WeakPolarHBondContact CG1-O 3.41Å; G54-G56 PolarHBondContact O-N 3.32Å; G54-D57 PolarHBondContact N-OD2 3.22Å; G54-D57 WeakPolarHBondContact O-CB 3.35Å; G54-D57 PolarHBondContact O-N 3.37Å |
| 55 | I | 95.7 | Very high | 95.4 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 132.4 | 172.7 | -63.3 | 170.9 | 0 | 0 | 0 | 110.3 | D15 | D15-I55 HydrophobicContact CB-CG1 4.39Å; D15-I55 WeakPolarHBondContact OD1-CD1 3.4Å; D15-I55 WeakPolarHBondContact OD1-CG1 3.46Å; D15-I55 PolarHBondContact OD2-N 2.98Å |
| 56 | G | 95.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -13.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R11 V12 G54 | R11-G56 WeakPolarHBondContact CG-O 3.39Å; R11-G56 PolarHBondContact NE-O 2.88Å; R11-G56 PolarHBondContact NH2-O 3.41Å; V12-G56 PolarHBondContact O-N 2.86Å; G54-G56 PolarHBondContact O-N 3.32Å |
| 57 | D | 96.2 | Very high | 95.2 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | trans | -62.6 | 144.1 | 175.5 | -70.8 | -8.6 | 0 | 0 | 0 | 111.2 | R11 V12 G54 V59 V78 E80 K81 A82 | R11-D57 CarbonylContact C-O 3.53Å; R11-D57 VanDerWaalsContact CA-O 3.31Å; R11-D57 WeakPolarHBondContact CA-O 3.26Å; V12-D57 HydrophobicContact CG2-CB 4.08Å; V12-D57 PolarHBondContact N-O 3.01Å; G54-D57 PolarHBondContact N-OD2 3.22Å; G54-D57 WeakPolarHBondContact O-CB 3.35Å; G54-D57 PolarHBondContact O-N 3.37Å; D57-V59 HydrophobicContact CB-CG1 4.18Å; D57-V78 HydrophobicContact CB-CG1 4.23Å; D57-E80 CarbonylContact C-O 3.57Å; D57-E80 WeakPolarHBondContact CA-O 3.4Å; D57-K81 WeakPolarHBondContact OD1-CA 3.28Å; D57-K81 WeakPolarHBondContact OD2-CD 3.36Å; D57-K81 IonicContact OD2-NZ 2.8Å; D57-K81 PolarHBondContact OD2-NZ 3.15Å; D57-A82 PolarHBondContact OD1-N 2.94Å | ||
| 58 | V | 97.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.2 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 108 | G10 V79 E80 | G10-V58 WeakPolarHBondContact O-CA 3.37Å; V58-V79 HydrophobicContact CB-CB 4.42Å; V58-V79 HydrophobicContact CG1-CB 4.17Å; V58-V79 WeakPolarHBondContact O-CA 3.27Å; V58-V79 WeakPolarHBondContact O-CB 3.3Å; V58-V79 PolarHBondContact O-N 3.31Å; V58-E80 HydrophobicContact CB-CB 3.9Å; V58-E80 HydrophobicContact CG2-CB 4.06Å; V58-E80 PolarHBondContact N-O 2.8Å; V58-E80 PolarHBondContact O-N 3.12Å; V58-E80 VanDerWaalsContact O-N 3.09Å |
| 59 | V | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.6 | -173.8 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | Q9 G10 V12 V23 C53 D57 I61 L75 V78 | Q9-V59 VanDerWaalsContact CA-O 3.31Å; Q9-V59 WeakPolarHBondContact CA-O 3.32Å; G10-V59 PolarHBondContact N-O 3.22Å; G10-V59 PolarHBondContact O-N 2.83Å; V12-V59 HydrophobicContact CG2-CB 4.46Å; V12-V59 HydrophobicContact CG2-CG1 3.69Å; V12-V59 HydrophobicContact CG2-CG2 3.84Å; V23-V59 HydrophobicContact CB-CG2 4.44Å; V23-V59 HydrophobicContact CG1-CG2 3.89Å; V23-V59 HydrophobicContact CG2-CG2 3.61Å; C53-V59 HydrophobicContact CB-CG1 4.45Å; C53-V59 VanDerWaalsContact SG-CG1 3.58Å; D57-V59 HydrophobicContact CB-CG1 4.18Å; V59-I61 HydrophobicContact CG2-CG2 3.99Å; V59-L75 HydrophobicContact CB-CD1 3.79Å; V59-L75 HydrophobicContact CG1-CD1 4Å; V59-V78 HydrophobicContact CG1-CG1 4.4Å; V59-V78 HydrophobicContact CG1-CG2 4.25Å |
| 60 | E | 97.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.9 | 167.1 | -171.5 | 174.2 | -109.5 | 0 | 0 | 109.4 | L8 Q9 V76 R77 V79 | L8-E60 WeakPolarHBondContact O-CA 3.4Å; Q9-E60 HydrophobicContact CG-CB 4.02Å; Q9-E60 HydrophobicContact CG-CG 3.99Å; Q9-E60 PolarHBondContact NE2-OE1 2.84Å; E60-V76 HydrophobicContact CB-CB 4.36Å; E60-V76 HydrophobicContact CG-CB 4.31Å; E60-V76 WeakPolarHBondContact O-CB 3.24Å; E60-V76 PolarHBondContact O-N 3.33Å; E60-R77 HydrophobicContact CB-CG 4.16Å; E60-R77 VanDerWaalsContact CD-NH2 3.3Å; E60-R77 PolarHBondContact N-O 2.71Å; E60-R77 PolarHBondContact O-N 2.66Å; E60-R77 IonicContact OE1-CZ 3.97Å; E60-R77 IonicContact OE1-NH2 3.18Å; E60-R77 PolarHBondContact OE1-NH2 3.37Å; E60-R77 IonicContact OE2-CZ 2.91Å; E60-R77 IonicContact OE2-NE 3.83Å; E60-R77 IonicContact OE2-NH1 2.64Å; E60-R77 PolarHBondContact OE2-NH1 2.81Å; E60-R77 IonicContact OE2-NH2 2.91Å; E60-R77 PolarHBondContact OE2-NH2 3.06Å; E60-V79 HydrophobicContact CB-CG2 3.98Å |
| 61 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.1 | -176.5 | 65.4 | 169.8 | 0 | 0 | 0 | 109.8 | T7 L8 V23 I25 L44 V46 V59 W73 T74 | T7-I61 CarbonylContact C-O 3.51Å; T7-I61 VanDerWaalsContact CA-O 3.23Å; T7-I61 WeakPolarHBondContact CA-O 3.34Å; L8-I61 HydrophobicContact CB-CD1 4.43Å; L8-I61 HydrophobicContact CB-CG1 4.01Å; L8-I61 PolarHBondContact N-O 2.82Å; L8-I61 WeakPolarHBondContact O-CG1 3.35Å; L8-I61 PolarHBondContact O-N 2.91Å; V23-I61 HydrophobicContact CB-CD1 4.5Å; V23-I61 HydrophobicContact CG1-CD1 4.48Å; V23-I61 HydrophobicContact CG2-CG2 4.31Å; I25-I61 HydrophobicContact CD1-CD1 3.98Å; L44-I61 HydrophobicContact CD1-CD1 3.88Å; V46-I61 HydrophobicContact CB-CG2 4.42Å; V46-I61 HydrophobicContact CG1-CB 4.2Å; V46-I61 HydrophobicContact CG1-CG2 3.64Å; V46-I61 HydrophobicContact CG2-CB 4.39Å; V46-I61 HydrophobicContact CG2-CD1 3.77Å; V46-I61 HydrophobicContact CG2-CG2 3.97Å; V59-I61 HydrophobicContact CG2-CG2 3.99Å; I61-W73 HydrophobicContact CB-CE3 4.21Å; I61-W73 HydrophobicContact CD1-CB 4.38Å; I61-W73 HydrophobicContact CD1-CD2 4Å; I61-W73 HydrophobicContact CD1-CE3 3.62Å; I61-W73 HydrophobicContact CD1-CG 4.32Å; I61-W73 HydrophobicContact CD1-CZ3 4.27Å; I61-W73 HydrophobicContact CG1-CE3 3.66Å; I61-W73 HydrophobicContact CG1-CZ3 4.1Å; I61-T74 WeakPolarHBondContact CA-O 3.31Å |
| 62 | R | 96.5 | Very high | 95.4 | Very high | 103 Ų | 103 | 61.4 Ų | 61.4 | 39% | 0.389 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153 | 177 | 69.2 | -177.9 | 174.2 | 114.7 | -1.9 | 111.7 | I5 R6 T7 W73 T74 V76 | I5-R62 HydrophobicContact CG2-CB 3.91Å; I5-R62 HydrophobicContact CG2-CG 4.42Å; R6-R62 WeakPolarHBondContact O-CA 3.23Å; T7-R62 HydrophobicContact CG2-CB 4.07Å; R62-W73 CarbonylContact O-C 3.58Å; R62-W73 VanDerWaalsContact O-CA 3.31Å; R62-W73 WeakPolarHBondContact O-CA 2.94Å; R62-T74 HydrophobicContact CG-CG2 3.47Å; R62-T74 VanDerWaalsContact CG-CG2 3.47Å; R62-T74 PolarHBondContact N-O 2.9Å; R62-T74 PolarHBondContact O-N 2.8Å; R62-V76 HydrophobicContact CB-CG2 3.63Å; R62-V76 HydrophobicContact CG-CG2 3.54Å |
| 63 | E | 96.7 | Very high | 95.8 | Very high | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.6 | 171.4 | -69.3 | -179 | 172.2 | 0 | 0 | 110.2 | I5 R6 W73 | I5-E63 HydrophobicContact CG2-CB 4.43Å; I5-E63 WeakPolarHBondContact CG2-O 3.17Å; R6-E63 HydrophobicContact CB-CG 4.15Å; R6-E63 VanDerWaalsContact CD-OE1 3.26Å; R6-E63 WeakPolarHBondContact CD-OE1 3.37Å; R6-E63 IonicContact NH1-OE1 3.47Å; R6-E63 PolarHBondContact NH1-OE1 3.44Å; R6-E63 PolarHBondContact O-N 3.35Å; R6-E63 VanDerWaalsContact O-N 3.08Å; E63-W73 HydrophobicContact CG-CD2 4.09Å; E63-W73 HydrophobicContact CG-CE3 4.03Å; E63-W73 HydrophobicContact CG-CH2 3.3Å; E63-W73 HydrophobicContact CG-CZ2 3.36Å; E63-W73 HydrophobicContact CG-CZ3 3.66Å; E63-W73 WeakPolarHBondContact OE1-CZ2 3.38Å |
| 64 | C | 94.6 | Very high | 96 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | trans | -139.4 | 177.1 | 174.5 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | S72 W73 T74 | C64-S72 PolarHBondContact N-O 2.8Å; C64-S72 VanDerWaalsContact SG-C 3.54Å; C64-W73 VanDerWaalsContact SG-C 3.56Å; C64-T74 HydrophobicContact CB-CG2 4.01Å | ||
| 65 | R | 94.4 | Very high | 96.2 | Very high | 183 Ų | 183 | 57.9 Ų | 57.9 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -55 | 148.7 | 170.2 | 67.5 | -179 | 178.2 | 87.5 | -1.8 | 110.4 | L67 | R65-L67 HydrophobicContact CG-CD2 4.36Å; R65-L67 PolarHBondContact O-N 3.38Å; R65-L67 VanDerWaalsContact O-N 3.16Å |
| 66 | P | 96.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | trans | -55.8 | 123 | 170.9 | -23.3 | 33.6 | 0 | 0 | 0 | 110.4 | ||||
| 67 | L | 94.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 62 Ų | 62 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -98.7 | -25 | 173.9 | -64.7 | 173.3 | 0 | 0 | 0 | 111.1 | H47 R65 K71 | H47-L67 HydrophobicContact CB-CD1 3.48Å; H47-L67 VanDerWaalsContact CB-CD1 3.48Å; R65-L67 HydrophobicContact CG-CD2 4.36Å; R65-L67 PolarHBondContact O-N 3.38Å; R65-L67 VanDerWaalsContact O-N 3.16Å; L67-K71 HydrophobicContact CB-CB 4.36Å; L67-K71 HydrophobicContact CB-CD 3.97Å; L67-K71 HydrophobicContact CB-CG 4.26Å; L67-K71 HydrophobicContact CD1-CD 3.86Å; L67-K71 HydrophobicContact CD1-CG 4.33Å; L67-K71 PolarHBondContact N-O 2.89Å |
| 68 | S | 94.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -151 | -176.8 | 172 | 80.9 | 0 | 0 | 0 | 0 | 110 | T70 K71 | S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 VanDerWaalsContact O-N 3.12Å; S68-T70 PolarHBondContact OG-N 3.04Å; S68-K71 PolarHBondContact N-O 3.36Å; S68-K71 VanDerWaalsContact OG-CB 3.24Å; S68-K71 WeakPolarHBondContact OG-CB 3.34Å; S68-K71 PolarHBondContact OG-N 3.01Å |
| 69 | K | 95.3 | Very high | 96.1 | Very high | 211 Ų | 211 | 65.1 Ų | 65.1 | 92% | 0.917 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -51.9 | -32.5 | 174.4 | -174.3 | 176.9 | -179.3 | 178.8 | 0 | 113.5 | ||
| 70 | T | 95.8 | Very high | 96 | Very high | 79 Ų | 79 | 70.9 Ų | 70.9 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -123.7 | -13.5 | -174.9 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | H45 S68 | H45-T70 PolarHBondContact CD2-OG1 2.82Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 VanDerWaalsContact O-N 3.12Å; S68-T70 PolarHBondContact OG-N 3.04Å |
| 71 | K | 95.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 75.2 Ų | 75.2 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.4 | -177.9 | -169.2 | -170.4 | -64.7 | -175 | 0 | 110.2 | K19 S20 H45 H47 L67 S68 | K19-K71 PolarHBondContact O-NZ 3.28Å; S20-K71 WeakPolarHBondContact OG-CE 3.33Å; S20-K71 PolarHBondContact OG-NZ 3.49Å; H45-K71 HydrophobicContact CB-CB 4.14Å; H45-K71 HydrophobicContact CB-CG 4.4Å; H47-K71 HydrophobicContact CB-CD 3.82Å; L67-K71 HydrophobicContact CB-CB 4.36Å; L67-K71 HydrophobicContact CB-CD 3.97Å; L67-K71 HydrophobicContact CB-CG 4.26Å; L67-K71 HydrophobicContact CD1-CD 3.86Å; L67-K71 HydrophobicContact CD1-CG 4.33Å; L67-K71 PolarHBondContact N-O 2.89Å; S68-K71 PolarHBondContact N-O 3.36Å; S68-K71 VanDerWaalsContact OG-CB 3.24Å; S68-K71 WeakPolarHBondContact OG-CB 3.34Å; S68-K71 PolarHBondContact OG-N 3.01Å |
| 72 | S | 96.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 17.3 | 176.3 | 58 | 0 | 0 | 0 | 0 | 112.8 | C64 | C64-S72 PolarHBondContact N-O 2.8Å; C64-S72 VanDerWaalsContact SG-C 3.54Å |
| 73 | W | 98.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 78.8 Ų | 78.8 | 5% | 0.053 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.5 | -179.8 | -67.5 | 79.6 | 0 | 0 | 0 | 109.8 | R6 L8 L44 V46 H47 I61 R62 E63 C64 | R6-W73 HydrophobicContact CG-CH2 4.29Å; L8-W73 HydrophobicContact CB-CH2 4.41Å; L8-W73 HydrophobicContact CB-CZ3 4.11Å; L8-W73 HydrophobicContact CD1-CH2 3.25Å; L8-W73 HydrophobicContact CD1-CZ2 3.81Å; L8-W73 HydrophobicContact CD1-CZ3 3.77Å; L8-W73 HydrophobicContact CG-CH2 3.65Å; L8-W73 HydrophobicContact CG-CZ3 3.82Å; L44-W73 HydrophobicContact CD1-CD2 4Å; L44-W73 HydrophobicContact CD1-CG 4.3Å; L44-W73 HydrophobicContact CD1-CZ2 4.05Å; V46-W73 CarbonylContact C-O 3.55Å; V46-W73 WeakPolarHBondContact CA-O 3.32Å; V46-W73 HydrophobicContact CB-CB 4.42Å; V46-W73 HydrophobicContact CG1-CB 4.45Å; V46-W73 HydrophobicContact CG2-CB 3.92Å; H47-W73 PolarHBondContact N-O 2.93Å; I61-W73 HydrophobicContact CB-CE3 4.21Å; I61-W73 HydrophobicContact CD1-CB 4.38Å; I61-W73 HydrophobicContact CD1-CD2 4Å; I61-W73 HydrophobicContact CD1-CE3 3.62Å; I61-W73 HydrophobicContact CD1-CG 4.32Å; I61-W73 HydrophobicContact CD1-CZ3 4.27Å; I61-W73 HydrophobicContact CG1-CE3 3.66Å; I61-W73 HydrophobicContact CG1-CZ3 4.1Å; R62-W73 CarbonylContact O-C 3.58Å; R62-W73 VanDerWaalsContact O-CA 3.31Å; R62-W73 WeakPolarHBondContact O-CA 2.94Å; E63-W73 HydrophobicContact CG-CD2 4.09Å; E63-W73 HydrophobicContact CG-CE3 4.03Å; E63-W73 HydrophobicContact CG-CH2 3.3Å; E63-W73 HydrophobicContact CG-CZ2 3.36Å; E63-W73 HydrophobicContact CG-CZ3 3.66Å; E63-W73 WeakPolarHBondContact OE1-CZ2 3.38Å; C64-W73 VanDerWaalsContact SG-C 3.56Å |
| 74 | T | 96.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 86.3 Ų | 86.3 | 14% | 0.135 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.3 | 175.2 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | H47 I61 R62 C64 | H47-T74 PolarHBondContact O-OG1 2.83Å; I61-T74 WeakPolarHBondContact CA-O 3.31Å; R62-T74 HydrophobicContact CG-CG2 3.47Å; R62-T74 VanDerWaalsContact CG-CG2 3.47Å; R62-T74 PolarHBondContact N-O 2.9Å; R62-T74 PolarHBondContact O-N 2.8Å; C64-T74 HydrophobicContact CB-CG2 4.01Å |
| 75 | L | 97.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 88.7 Ų | 88.7 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.8 | 172.8 | -175.4 | 66.8 | 0 | 0 | 0 | 109.9 | V46 H47 D48 C53 V59 | V46-L75 HydrophobicContact CG1-CB 4.41Å; H47-L75 WeakPolarHBondContact O-CB 3.32Å; H47-L75 PolarHBondContact O-N 3.08Å; D48-L75 HydrophobicContact CB-CD2 4.32Å; C53-L75 VanDerWaalsContact SG-CD1 3.58Å; C53-L75 WeakPolarHBondContact SG-CD2 3.47Å; V59-L75 HydrophobicContact CB-CD1 3.79Å; V59-L75 HydrophobicContact CG1-CD1 4Å |
| 76 | V | 95.8 | Very high | 93 | Very high | 60 Ų | 60 | 83.7 Ų | 83.7 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -55.5 | 170.6 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | E60 R62 | E60-V76 HydrophobicContact CB-CB 4.36Å; E60-V76 HydrophobicContact CG-CB 4.31Å; E60-V76 WeakPolarHBondContact O-CB 3.24Å; E60-V76 PolarHBondContact O-N 3.33Å; R62-V76 HydrophobicContact CB-CG2 3.63Å; R62-V76 HydrophobicContact CG-CG2 3.54Å |
| 77 | R | 95.4 | Very high | 92.8 | Very high | 128 Ų | 128 | 82.8 Ų | 82.8 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 156.8 | 176.5 | 61.7 | 176.4 | -179.1 | -78.7 | -14.4 | 111.2 | E60 | E60-R77 HydrophobicContact CB-CG 4.16Å; E60-R77 VanDerWaalsContact CD-NH2 3.3Å; E60-R77 PolarHBondContact N-O 2.71Å; E60-R77 PolarHBondContact O-N 2.66Å; E60-R77 IonicContact OE1-CZ 3.97Å; E60-R77 IonicContact OE1-NH2 3.18Å; E60-R77 PolarHBondContact OE1-NH2 3.37Å; E60-R77 IonicContact OE2-CZ 2.91Å; E60-R77 IonicContact OE2-NE 3.83Å; E60-R77 IonicContact OE2-NH1 2.64Å; E60-R77 PolarHBondContact OE2-NH1 2.81Å; E60-R77 IonicContact OE2-NH2 2.91Å; E60-R77 PolarHBondContact OE2-NH2 3.06Å |
| 78 | V | 95.6 | Very high | 92.7 | Very high | 39 Ų | 39 | 84 Ų | 84 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125 | 164 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | D57 V59 K81 | D57-V78 HydrophobicContact CB-CG1 4.23Å; V59-V78 HydrophobicContact CG1-CG1 4.4Å; V59-V78 HydrophobicContact CG1-CG2 4.25Å; V78-K81 HydrophobicContact CG1-CD 3.99Å; V78-K81 HydrophobicContact CG1-CG 4.08Å |
| 79 | V | 95.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 85.6 Ų | 85.6 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -46 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | V58 E60 | V58-V79 HydrophobicContact CB-CB 4.42Å; V58-V79 HydrophobicContact CG1-CB 4.17Å; V58-V79 WeakPolarHBondContact O-CA 3.27Å; V58-V79 WeakPolarHBondContact O-CB 3.3Å; V58-V79 PolarHBondContact O-N 3.31Å; E60-V79 HydrophobicContact CB-CG2 3.98Å |
| 80 | E | 95.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 77.2 Ų | 77.2 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 129.6 | 179.5 | -169.2 | -178.9 | 159.7 | 0 | 0 | 109 | D57 V58 | D57-E80 CarbonylContact C-O 3.57Å; D57-E80 WeakPolarHBondContact CA-O 3.4Å; V58-E80 HydrophobicContact CB-CB 3.9Å; V58-E80 HydrophobicContact CG2-CB 4.06Å; V58-E80 PolarHBondContact N-O 2.8Å; V58-E80 PolarHBondContact O-N 3.12Å; V58-E80 VanDerWaalsContact O-N 3.09Å |
| 81 | K | 93.4 | Very high | 92.2 | Very high | 111 Ų | 111 | 77.1 Ų | 77.1 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | trans | -84.9 | 139.3 | 174.3 | -79.1 | -73.7 | -179.7 | -174.4 | 0 | 109.6 | E52 D57 V78 V83 | E52-K81 PolarHBondContact O-NZ 2.93Å; D57-K81 WeakPolarHBondContact OD1-CA 3.28Å; D57-K81 WeakPolarHBondContact OD2-CD 3.36Å; D57-K81 IonicContact OD2-NZ 2.8Å; D57-K81 PolarHBondContact OD2-NZ 3.15Å; V78-K81 HydrophobicContact CG1-CD 3.99Å; V78-K81 HydrophobicContact CG1-CG 4.08Å; K81-V83 PolarHBondContact O-N 3.16Å | ||
| 82 | A | 89.4 | Confident | 91.9 | Very high | 43 Ų | 43 | 81.1 Ų | 81.1 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | trans | -59.1 | 128.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D57 L84 | D57-A82 PolarHBondContact OD1-N 2.94Å; A82-L84 PolarHBondContact O-N 3.17Å | ||
| 83 | V | 83 | Confident | 91.5 | Very high | 135 Ų | 135 | 83.8 Ų | 83.8 | 82% | 0.818 | 44% | 0.441 | S | S | * | . | trans | -76.2 | 114.3 | 169.2 | -173.8 | 0 | 0 | 0 | 0 | 106.9 | K81 | K81-V83 PolarHBondContact O-N 3.16Š| ||
| 84 | L | 62.7 | Low | 90.9 | Very high | 236 Ų | 236 | 90.2 Ų | 90.2 | 100% | 1.236 | 48% | 0.477 | S | S | * | . | trans | -74 | 0 | 164 | -87 | 160.8 | 0 | 0 | 0 | 110 | A82 | A82-L84 PolarHBondContact O-N 3.17Š|
Retrieved 84 of 84 residues in 75.8 ms
(Link to these results)