| 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 | 88.7 | Confident | 91.4 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | 0 | 143.7 | 0 | -178.2 | -167.3 | 78.5 | 0 | 0 | 106.3 | I3 G16 I17 I59 I60 I63 | M1-I3 HydrophobicContact CE-CG2 3.71Å; M1-G16 PolarHBondContact O-N 3Å; M1-I17 HydrophobicContact CE-CB 4.3Å; M1-I17 HydrophobicContact CE-CG2 3.88Å; M1-I17 PolarHBondContact N-O 2.74Å; M1-I17 WeakPolarHBondContact O-CA 3.36Å; M1-I17 VanDerWaalsContact O-CB 3.25Å; M1-I17 WeakPolarHBondContact O-CB 3.46Å; M1-I17 PolarHBondContact O-N 3.36Å; M1-I59 HydrophobicContact CE-CG2 4.18Å; M1-I60 HydrophobicContact CB-CD1 4.37Å; M1-I60 HydrophobicContact CE-CD1 4.3Å; M1-I60 HydrophobicContact CE-CG1 3.73Å; M1-I60 HydrophobicContact SD-CD1 4.28Å; M1-I60 HydrophobicContact SD-CG1 4.09Å; M1-I63 HydrophobicContact CE-CD1 3.49Å; M1-I63 VanDerWaalsContact CE-CD1 3.49Å; M1-I63 HydrophobicContact SD-CD1 4.02Å | |||
| 2 | D | 90.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | trans | -122 | 141.6 | -173.5 | -52.7 | -16.2 | 0 | 0 | 0 | 108.6 | V14 C15 G16 | D2-V14 WeakPolarHBondContact CA-O 3.38Å; D2-C15 VanDerWaalsContact OD1-CA 3.26Å; D2-C15 WeakPolarHBondContact OD1-CA 3.48Å; D2-G16 PolarHBondContact OD1-N 2.98Å | ||
| 3 | I | 92.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160 | -179.9 | 71.7 | 178.8 | 0 | 0 | 0 | 111.4 | M1 V5 E13 V14 I17 I59 I63 F75 | M1-I3 HydrophobicContact CE-CG2 3.71Å; I3-V5 HydrophobicContact CD1-CG2 3.77Å; I3-V5 HydrophobicContact CG1-CG2 3.84Å; I3-E13 WeakPolarHBondContact O-CA 3.29Å; I3-V14 HydrophobicContact CG1-CB 4.07Å; I3-V14 PolarHBondContact N-O 3Å; I3-V14 VanDerWaalsContact N-O 3.11Å; I3-V14 PolarHBondContact O-N 3.17Å; I3-I17 HydrophobicContact CB-CD1 4.11Å; I3-I17 HydrophobicContact CD1-CD1 3.48Å; I3-I17 VanDerWaalsContact CD1-CD1 3.48Å; I3-I17 HydrophobicContact CG1-CD1 3.43Å; I3-I17 VanDerWaalsContact CG1-CD1 3.43Å; I3-I17 HydrophobicContact CG2-CD1 3.79Å; I3-I59 HydrophobicContact CD1-CD1 4.19Å; I3-I59 HydrophobicContact CD1-CG2 4.21Å; I3-I59 HydrophobicContact CG2-CG2 4.3Å; I3-I63 HydrophobicContact CG2-CD1 4.27Å; I3-F75 HydrophobicContact CB-CD2 3.96Å; I3-F75 HydrophobicContact CB-CE2 3.92Å; I3-F75 HydrophobicContact CD1-CD2 3.78Å; I3-F75 HydrophobicContact CD1-CE2 4.02Å; I3-F75 HydrophobicContact CD1-CG 4.1Å; I3-F75 HydrophobicContact CG1-CD2 4.24Å; I3-F75 HydrophobicContact CG1-CE2 4.5Å; I3-F75 HydrophobicContact CG2-CD2 4.41Å; I3-F75 HydrophobicContact CG2-CE2 3.86Å |
| 4 | K | 92.9 | Very high | 91.5 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.5 | 174.1 | -66.3 | 173.5 | 178.8 | 176.9 | 0 | 110 | L11 R12 F75 | K4-L11 HydrophobicContact CB-CD1 4.03Å; K4-L11 HydrophobicContact CB-CD2 4.46Å; K4-L11 HydrophobicContact CB-CG 4.3Å; K4-L11 HydrophobicContact CD-CD2 4.28Å; K4-R12 CarbonylContact C-O 3.51Å; K4-R12 WeakPolarHBondContact CA-O 3.49Å; K4-F75 PolarHBondContact O-N 3.4Å |
| 5 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.3 | -179.9 | -165.9 | 0 | 0 | 0 | 0 | 109.9 | I3 I7 R12 V14 L30 L42 F75 L77 | I3-V5 HydrophobicContact CD1-CG2 3.77Å; I3-V5 HydrophobicContact CG1-CG2 3.84Å; V5-I7 HydrophobicContact CG1-CG1 4.41Å; V5-R12 PolarHBondContact N-O 3.45Å; V5-R12 PolarHBondContact O-N 3.17Å; V5-V14 HydrophobicContact CG2-CG2 3.89Å; V5-L30 HydrophobicContact CB-CD1 3.89Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 3.92Å; V5-L42 HydrophobicContact CG1-CD1 3.74Å; V5-F75 CarbonylContact C-O 3.57Å; V5-F75 VanDerWaalsContact CA-O 3.31Å; V5-F75 WeakPolarHBondContact CA-O 3.27Å; V5-F75 HydrophobicContact CB-CB 4.37Å; V5-F75 HydrophobicContact CG1-CB 4.13Å; V5-F75 HydrophobicContact CG2-CB 4.04Å; V5-L77 HydrophobicContact CG1-CB 4.22Å |
| 6 | N | 94.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.5 | 173.9 | -175.1 | 2.5 | 0 | 0 | 0 | 109.7 | G9 V10 L11 F75 I76 L77 | N6-G9 WeakPolarHBondContact OD1-CA 3.47Å; N6-G9 PolarHBondContact OD1-N 3.1Å; N6-V10 PolarHBondContact OD1-N 3.47Å; N6-L11 HydrophobicContact CB-CD1 4.22Å; N6-F75 PolarHBondContact N-O 3.35Å; N6-I76 HydrophobicContact CB-CG1 4.35Å; N6-I76 WeakPolarHBondContact O-CA 3.4Å; N6-L77 PolarHBondContact O-N 2.97Å |
| 7 | I | 93.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.046 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 109.9 | 178.8 | -51.4 | -174.6 | 0 | 0 | 0 | 107.6 | V5 G9 V10 R12 L30 L36 L77 | V5-I7 HydrophobicContact CG1-CG1 4.41Å; I7-G9 PolarHBondContact O-N 2.79Å; I7-G9 VanDerWaalsContact O-N 3.09Å; I7-V10 PolarHBondContact N-O 3.42Å; I7-V10 WeakPolarHBondContact O-CB 3.47Å; I7-V10 PolarHBondContact O-N 3.3Å; I7-R12 HydrophobicContact CD1-CG 4.48Å; I7-L30 HydrophobicContact CD1-CB 4.1Å; I7-L30 HydrophobicContact CD1-CD1 4.2Å; I7-L30 HydrophobicContact CD1-CD2 3.96Å; I7-L30 HydrophobicContact CD1-CG 4.32Å; I7-L36 HydrophobicContact CG2-CD1 3.57Å; I7-L77 HydrophobicContact CD1-CD2 4.01Å; I7-L77 HydrophobicContact CG1-CB 3.98Å; I7-L77 HydrophobicContact CG1-CD2 4.18Å; I7-L77 HydrophobicContact CG2-CD2 4.17Å |
| 8 | D | 87.6 | Confident | 91.9 | Very high | 132 Ų | 132 | 67.6 Ų | 67.6 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.9 | -178 | -61.1 | -26.1 | 0 | 0 | 0 | 114.2 | ||
| 9 | G | 88.7 | Confident | 91.9 | Very high | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -9.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N6 I7 | N6-G9 WeakPolarHBondContact OD1-CA 3.47Å; N6-G9 PolarHBondContact OD1-N 3.1Å; I7-G9 PolarHBondContact O-N 2.79Å; I7-G9 VanDerWaalsContact O-N 3.09Å |
| 10 | V | 90.2 | Very high | 92 | Very high | 80 Ų | 80 | 68.1 Ų | 68.1 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | N6 I7 R12 | N6-V10 PolarHBondContact OD1-N 3.47Å; I7-V10 PolarHBondContact N-O 3.42Å; I7-V10 WeakPolarHBondContact O-CB 3.47Å; I7-V10 PolarHBondContact O-N 3.3Å; V10-R12 HydrophobicContact CG1-CG 4.43Å |
| 11 | L | 91.7 | Very high | 92.2 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.6 | 175.5 | -162.2 | 67.6 | 0 | 0 | 0 | 110.7 | K4 N6 | K4-L11 HydrophobicContact CB-CD1 4.03Å; K4-L11 HydrophobicContact CB-CD2 4.46Å; K4-L11 HydrophobicContact CB-CG 4.3Å; K4-L11 HydrophobicContact CD-CD2 4.28Å; N6-L11 HydrophobicContact CB-CD1 4.22Å |
| 12 | R | 92.1 | Very high | 92.5 | Very high | 110 Ų | 110 | 63 Ų | 63 | 42% | 0.415 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.5 | 174.5 | -60.3 | -169.4 | -174.3 | -101.8 | 0.9 | 110.4 | K4 V5 I7 V10 | K4-R12 CarbonylContact C-O 3.51Å; K4-R12 WeakPolarHBondContact CA-O 3.49Å; V5-R12 PolarHBondContact N-O 3.45Å; V5-R12 PolarHBondContact O-N 3.17Å; I7-R12 HydrophobicContact CD1-CG 4.48Å; V10-R12 HydrophobicContact CG1-CG 4.43Å |
| 13 | E | 91.4 | Very high | 92.7 | Very high | 122 Ų | 122 | 59 Ų | 59 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134 | 174.8 | -169.5 | 154.5 | -134.7 | 0 | 0 | 109.8 | I3 | I3-E13 WeakPolarHBondContact O-CA 3.29Å |
| 14 | V | 92.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 104.1 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | D2 I3 V5 I17 V26 L30 | D2-V14 WeakPolarHBondContact CA-O 3.38Å; I3-V14 HydrophobicContact CG1-CB 4.07Å; I3-V14 PolarHBondContact N-O 3Å; I3-V14 VanDerWaalsContact N-O 3.11Å; I3-V14 PolarHBondContact O-N 3.17Å; V5-V14 HydrophobicContact CG2-CG2 3.89Å; V14-I17 HydrophobicContact CB-CD1 4.28Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.13Å; V14-V26 HydrophobicContact CG1-CG1 4.47Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 HydrophobicContact CG2-CG1 4.48Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.61Å; V14-L30 HydrophobicContact CG2-CG 4.12Å |
| 15 | C | 92 | Very high | 93 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | trans | -84.9 | 152.2 | -179.2 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | D2 | D2-C15 VanDerWaalsContact OD1-CA 3.26Å; D2-C15 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 16 | G | 92 | Very high | 93 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | trans | 84.1 | 18.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1 D2 | M1-G16 PolarHBondContact O-N 3Å; D2-G16 PolarHBondContact OD1-N 2.98Å | ||
| 17 | I | 93.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -64.6 | 133.9 | 174.4 | -64.1 | 164.6 | 0 | 0 | 0 | 109.8 | M1 I3 V14 T21 I59 I60 | M1-I17 HydrophobicContact CE-CB 4.3Å; M1-I17 HydrophobicContact CE-CG2 3.88Å; M1-I17 PolarHBondContact N-O 2.74Å; M1-I17 WeakPolarHBondContact O-CA 3.36Å; M1-I17 VanDerWaalsContact O-CB 3.25Å; M1-I17 WeakPolarHBondContact O-CB 3.46Å; M1-I17 PolarHBondContact O-N 3.36Å; I3-I17 HydrophobicContact CB-CD1 4.11Å; I3-I17 HydrophobicContact CD1-CD1 3.48Å; I3-I17 VanDerWaalsContact CD1-CD1 3.48Å; I3-I17 HydrophobicContact CG1-CD1 3.43Å; I3-I17 VanDerWaalsContact CG1-CD1 3.43Å; I3-I17 HydrophobicContact CG2-CD1 3.79Å; V14-I17 HydrophobicContact CB-CD1 4.28Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.13Å; I17-T21 HydrophobicContact CG1-CG2 4.4Å; I17-T21 HydrophobicContact CG2-CG2 4.16Å; I17-I59 HydrophobicContact CD1-CD1 4.36Å; I17-I59 HydrophobicContact CG2-CB 4.28Å; I17-I59 HydrophobicContact CG2-CG2 4.35Å; I17-I60 HydrophobicContact CG2-CD1 4.33Å; I17-I60 HydrophobicContact CG2-CG1 3.98Å | ||
| 18 | N | 94.5 | Very high | 93.1 | Very high | 92 Ų | 92 | 68.8 Ų | 68.8 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | trans | -124.9 | 177.7 | -178.5 | 69.3 | 47.1 | 0 | 0 | 0 | 110.9 | G20 T21 I60 | N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 WeakPolarHBondContact OD1-CA 3.49Å; N18-G20 PolarHBondContact OD1-N 3.01Å; N18-T21 PolarHBondContact N-OG1 3.21Å; N18-T21 VanDerWaalsContact N-OG1 3.09Å; N18-T21 WeakPolarHBondContact O-CB 3.47Å; N18-T21 PolarHBondContact O-N 3.43Å; N18-T21 PolarHBondContact O-OG1 3.31Å; N18-T21 PolarHBondContact OD1-N 3.44Å; N18-T21 VanDerWaalsContact OD1-N 3.13Å; N18-T21 PolarHBondContact OD1-OG1 3.23Å; N18-I60 WeakPolarHBondContact O-CD1 3.3Å | ||
| 19 | E | 93.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.1 | -175.1 | -58.7 | -163.8 | 137.2 | 0 | 0 | 114.2 | R58 I60 K64 | E19-R58 WeakPolarHBondContact O-CD 3.29Å; E19-R58 PolarHBondContact O-NH1 2.99Å; E19-I60 HydrophobicContact CG-CD1 4.13Å; E19-I60 HydrophobicContact CG-CG2 4.3Å; E19-K64 IonicContact OE1-NZ 3.13Å; E19-K64 PolarHBondContact OE1-NZ 2.92Å |
| 20 | G | 93.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -22.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N18 T22 | N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 WeakPolarHBondContact OD1-CA 3.49Å; N18-G20 PolarHBondContact OD1-N 3.01Å; G20-T22 PolarHBondContact O-N 2.93Å |
| 21 | T | 95.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 8% | 0.08 | 33% | 0.332 | C | S | . | . | trans | -64.8 | 118.5 | -171.6 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | I17 N18 E25 V26 I59 | I17-T21 HydrophobicContact CG1-CG2 4.4Å; I17-T21 HydrophobicContact CG2-CG2 4.16Å; N18-T21 PolarHBondContact N-OG1 3.21Å; N18-T21 VanDerWaalsContact N-OG1 3.09Å; N18-T21 WeakPolarHBondContact O-CB 3.47Å; N18-T21 PolarHBondContact O-N 3.43Å; N18-T21 PolarHBondContact O-OG1 3.31Å; N18-T21 PolarHBondContact OD1-N 3.44Å; N18-T21 VanDerWaalsContact OD1-N 3.13Å; N18-T21 PolarHBondContact OD1-OG1 3.23Å; T21-E25 WeakPolarHBondContact CA-OE2 3.44Å; T21-V26 HydrophobicContact CG2-CG2 3.67Å; T21-I59 PolarHBondContact O-N 3.35Å | ||
| 22 | T | 96.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -87.5 | 163.2 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | G20 E24 E25 V26 E57 | G20-T22 PolarHBondContact O-N 2.93Å; T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E25 PolarHBondContact O-N 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.46Å; T22-E25 PolarHBondContact OG1-N 3.04Å; T22-V26 PolarHBondContact O-N 3.2Å; T22-E57 CarbonylContact C-O 3.5Å; T22-E57 WeakPolarHBondContact CA-O 3.33Å |
| 23 | C | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 172 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | E25 V26 I27 L53 S54 P55 E57 | C23-E25 PolarHBondContact O-N 3.3Å; C23-V26 PolarHBondContact O-N 2.93Å; C23-I27 HydrophobicContact CB-CD1 4.42Å; C23-I27 WeakPolarHBondContact O-CB 3.06Å; C23-I27 WeakPolarHBondContact O-CD1 3.46Å; C23-I27 WeakPolarHBondContact O-CG1 3.24Å; C23-I27 PolarHBondContact O-N 2.98Å; C23-L53 HydrophobicContact CB-CB 4.46Å; C23-S54 WeakPolarHBondContact CB-O 3.28Å; C23-P55 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact N-O 2.9Å; C23-E57 PolarHBondContact SG-O 3.08Å |
| 24 | E | 95.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -56 | -47.8 | 174.5 | -176.7 | 176.3 | -147.8 | 0 | 0 | 112.8 | T22 V26 I27 F28 P55 | T22-E24 VanDerWaalsContact C-N 3.29Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.46Å; E24-I27 PolarHBondContact O-N 3.46Å; E24-F28 WeakPolarHBondContact O-CB 3.33Å; E24-F28 PolarHBondContact O-N 3.48Å; E24-P55 HydrophobicContact CB-CB 3.95Å; E24-P55 WeakPolarHBondContact CB-O 3.32Å; E24-P55 PolarHBondContact N-O 2.82Å |
| 25 | E | 95.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 64.1 Ų | 64.1 | 45% | 0.453 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 178.6 | -76.2 | 179.4 | 170.5 | 0 | 0 | 112.4 | T21 T22 C23 K29 | T21-E25 WeakPolarHBondContact CA-OE2 3.44Å; T22-E25 PolarHBondContact O-N 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.46Å; T22-E25 PolarHBondContact OG1-N 3.04Å; C23-E25 PolarHBondContact O-N 3.3Å; E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.15Å |
| 26 | V | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.3 | -41.8 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | V14 T21 T22 C23 E24 F28 K29 L30 L42 I59 | V14-V26 HydrophobicContact CG1-CG1 4.47Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 HydrophobicContact CG2-CG1 4.48Å; T21-V26 HydrophobicContact CG2-CG2 3.67Å; T22-V26 PolarHBondContact O-N 3.2Å; C23-V26 PolarHBondContact O-N 2.93Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.46Å; V26-F28 VanDerWaalsContact C-N 3.35Å; V26-F28 PolarHBondContact O-N 3.01Å; V26-K29 PolarHBondContact O-N 3.4Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.06Å; V26-L42 HydrophobicContact CG1-CD2 4.49Å; V26-I59 HydrophobicContact CB-CD1 3.87Å; V26-I59 HydrophobicContact CG1-CD1 4.29Å; V26-I59 HydrophobicContact CG2-CD1 3.43Å; V26-I59 VanDerWaalsContact CG2-CD1 3.43Å |
| 27 | I | 95 | Very high | 93.4 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57 | -49.7 | 173.7 | -72.1 | 160.8 | 0 | 0 | 0 | 110.2 | C23 E24 L30 A31 L42 L77 | C23-I27 HydrophobicContact CB-CD1 4.42Å; C23-I27 WeakPolarHBondContact O-CB 3.06Å; C23-I27 WeakPolarHBondContact O-CD1 3.46Å; C23-I27 WeakPolarHBondContact O-CG1 3.24Å; C23-I27 PolarHBondContact O-N 2.98Å; E24-I27 PolarHBondContact O-N 3.46Å; I27-L30 PolarHBondContact O-N 2.92Å; I27-A31 VanDerWaalsContact O-CB 3.28Å; I27-A31 WeakPolarHBondContact O-CB 3.42Å; I27-A31 PolarHBondContact O-N 3.08Å; I27-L42 HydrophobicContact CD1-CB 4.04Å; I27-L42 HydrophobicContact CG1-CB 4.05Å; I27-L77 HydrophobicContact CB-CD1 4.36Å; I27-L77 HydrophobicContact CG1-CD1 3.96Å; I27-L77 HydrophobicContact CG2-CD1 4.24Å |
| 28 | F | 94 | Very high | 93.1 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | -178.9 | -174.7 | -94.5 | 0 | 0 | 0 | 111.8 | E24 V26 L30 A31 Q32 | E24-F28 WeakPolarHBondContact O-CB 3.33Å; E24-F28 PolarHBondContact O-N 3.48Å; V26-F28 VanDerWaalsContact C-N 3.35Å; V26-F28 PolarHBondContact O-N 3.01Å; F28-L30 PolarHBondContact O-N 3.38Å; F28-A31 PolarHBondContact O-N 3.46Å; F28-Q32 VanDerWaalsContact O-CB 3.29Å; F28-Q32 WeakPolarHBondContact O-CB 3.47Å; F28-Q32 PolarHBondContact O-N 3.23Å |
| 29 | K | 93.5 | Very high | 93 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 177.6 | -76.4 | -174.9 | 177.7 | 179.9 | 0 | 112.6 | E25 V26 Q32 I33 | E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.15Å; V26-K29 PolarHBondContact O-N 3.4Å; K29-Q32 PolarHBondContact O-N 3.32Å; K29-I33 WeakPolarHBondContact O-CB 3.47Å; K29-I33 WeakPolarHBondContact O-CD1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 2.91Å |
| 30 | L | 94.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 177.9 | -74.7 | 179.5 | 0 | 0 | 0 | 112 | V5 I7 V14 V26 I27 F28 Q32 I33 A34 L77 | V5-L30 HydrophobicContact CB-CD1 3.89Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 3.92Å; I7-L30 HydrophobicContact CD1-CB 4.1Å; I7-L30 HydrophobicContact CD1-CD1 4.2Å; I7-L30 HydrophobicContact CD1-CD2 3.96Å; I7-L30 HydrophobicContact CD1-CG 4.32Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.61Å; V14-L30 HydrophobicContact CG2-CG 4.12Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.06Å; I27-L30 PolarHBondContact O-N 2.92Å; F28-L30 PolarHBondContact O-N 3.38Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-I33 PolarHBondContact O-N 3.42Å; L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 2.97Å; L30-L77 HydrophobicContact CB-CD2 4.04Å |
| 31 | A | 92.5 | Very high | 93.1 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I27 F28 S35 L36 Y40 | I27-A31 VanDerWaalsContact O-CB 3.28Å; I27-A31 WeakPolarHBondContact O-CB 3.42Å; I27-A31 PolarHBondContact O-N 3.08Å; F28-A31 PolarHBondContact O-N 3.46Å; A31-S35 WeakPolarHBondContact O-CA 3.43Å; A31-S35 PolarHBondContact O-N 3.34Å; A31-L36 HydrophobicContact CB-CB 4.4Å; A31-L36 PolarHBondContact O-N 3.37Å; A31-Y40 HydrophobicContact CB-CD2 4.33Å |
| 32 | Q | 91.3 | Very high | 93.2 | Very high | 130 Ų | 130 | 62.7 Ų | 62.7 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.5 | -51 | 175.7 | -172.9 | 179.2 | 43.5 | 0 | 0 | 112 | F28 K29 L30 A34 S35 | F28-Q32 VanDerWaalsContact O-CB 3.29Å; F28-Q32 WeakPolarHBondContact O-CB 3.47Å; F28-Q32 PolarHBondContact O-N 3.23Å; K29-Q32 PolarHBondContact O-N 3.32Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å; Q32-S35 PolarHBondContact O-N 3.2Å |
| 33 | I | 90.6 | Very high | 93.1 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | -179.5 | -68.3 | 164.4 | 0 | 0 | 0 | 111.4 | K29 L30 S35 | K29-I33 WeakPolarHBondContact O-CB 3.47Å; K29-I33 WeakPolarHBondContact O-CD1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 2.91Å; L30-I33 PolarHBondContact O-N 3.42Å; I33-S35 VanDerWaalsContact C-N 3.31Å |
| 34 | A | 90.1 | Very high | 93 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L30 Q32 L36 | L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 2.97Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 HydrophobicContact CB-CD1 3.72Å; A34-L36 HydrophobicContact CB-CG 3.69Å; A34-L36 PolarHBondContact O-N 2.94Å |
| 35 | S | 91.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41 | -175.4 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | A31 Q32 I33 P37 | A31-S35 WeakPolarHBondContact O-CA 3.43Å; A31-S35 PolarHBondContact O-N 3.34Å; Q32-S35 PolarHBondContact O-N 3.2Å; I33-S35 VanDerWaalsContact C-N 3.31Å; S35-P37 WeakPolarHBondContact O-CD 3.29Å |
| 36 | L | 90.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | trans | -96.4 | 114.9 | -173.4 | -74.8 | 179.4 | 0 | 0 | 0 | 112.4 | I7 A31 A34 Y40 L77 | I7-L36 HydrophobicContact CG2-CD1 3.57Å; A31-L36 HydrophobicContact CB-CB 4.4Å; A31-L36 PolarHBondContact O-N 3.37Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 HydrophobicContact CB-CD1 3.72Å; A34-L36 HydrophobicContact CB-CG 3.69Å; A34-L36 PolarHBondContact O-N 2.94Å; L36-Y40 HydrophobicContact CB-CE1 4.49Å; L36-Y40 HydrophobicContact CB-CE2 4.06Å; L36-Y40 HydrophobicContact CD1-CE1 4.32Å; L36-L77 HydrophobicContact CD1-CD2 4.13Å | ||
| 37 | P | 89.3 | Confident | 92 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | trans | -90.4 | 124.7 | -177.5 | 33.6 | -33.6 | 0 | 0 | 0 | 113.5 | S35 R79 | S35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-R79 PolarHBondContact O-NH2 3.25Å | ||
| 38 | G | 88.9 | Confident | 91.4 | Very high | 52 Ų | 52 | 68.9 Ų | 68.9 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 138.3 | -164.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y40 | G38-Y40 WeakPolarHBondContact O-CD2 3.41Š|
| 39 | F | 91.7 | Very high | 91.1 | Very high | 143 Ų | 143 | 69.4 Ų | 69.4 | 63% | 0.627 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.2 | 172.1 | -59.3 | -76.4 | 0 | 0 | 0 | 109.6 | L80 A82 | F39-L80 HydrophobicContact CB-CB 3.93Å; F39-L80 HydrophobicContact CB-CD1 4.11Å; F39-L80 PolarHBondContact O-N 3.34Å; F39-A82 HydrophobicContact CD2-CB 4.02Å; F39-A82 HydrophobicContact CE2-CB 4.45Å |
| 40 | Y | 94.5 | Very high | 91 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.1 | -178.1 | -68.5 | -92.1 | 0 | 0 | 0 | 109.3 | A31 L36 G38 L77 R78 R79 | A31-Y40 HydrophobicContact CB-CD2 4.33Å; L36-Y40 HydrophobicContact CB-CE1 4.49Å; L36-Y40 HydrophobicContact CB-CE2 4.06Å; L36-Y40 HydrophobicContact CD1-CE1 4.32Å; G38-Y40 WeakPolarHBondContact O-CD2 3.41Å; Y40-L77 HydrophobicContact CD1-CD1 4.49Å; Y40-L77 HydrophobicContact CD1-CD2 4.21Å; Y40-L77 HydrophobicContact CD1-CG 3.93Å; Y40-L77 HydrophobicContact CG-CD1 4.46Å; Y40-L77 HydrophobicContact CG-CG 4.36Å; Y40-R78 CarbonylContact C-O 3.59Å; Y40-R78 WeakPolarHBondContact CA-O 3.46Å; Y40-R79 VanDerWaalsContact CD1-CA 3.47Å; Y40-R79 HydrophobicContact CD1-CB 3.98Å; Y40-R79 HydrophobicContact CD1-CG 4.29Å; Y40-R79 HydrophobicContact CE1-CB 3.62Å; Y40-R79 HydrophobicContact CE1-CG 3.75Å |
| 41 | T | 95.3 | Very high | 91 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.5 | 170.1 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V43 T52 R78 L80 | T41-V43 HydrophobicContact CG2-CG2 4.25Å; T41-T52 HydrophobicContact CG2-CG2 3.94Å; T41-T52 VanDerWaalsContact OG1-CG2 3.24Å; T41-T52 WeakPolarHBondContact OG1-CG2 3.49Å; T41-R78 HydrophobicContact CG2-CB 4.1Å; T41-R78 PolarHBondContact N-O 3.35Å; T41-R78 PolarHBondContact O-N 3.49Å; T41-L80 HydrophobicContact CG2-CD2 3.87Å; T41-L80 HydrophobicContact CG2-CG 4.01Å |
| 42 | L | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.2 | 176.4 | -162.1 | 65.8 | 0 | 0 | 0 | 108.2 | V5 V26 I27 L53 I59 F75 L77 | V5-L42 HydrophobicContact CG1-CD1 3.74Å; V26-L42 HydrophobicContact CG1-CD2 4.49Å; I27-L42 HydrophobicContact CD1-CB 4.04Å; I27-L42 HydrophobicContact CG1-CB 4.05Å; L42-L53 HydrophobicContact CB-CD1 4.31Å; L42-L53 HydrophobicContact CD2-CD1 4.11Å; L42-L53 HydrophobicContact CG-CD1 4.24Å; L42-L53 WeakPolarHBondContact O-CB 3.42Å; L42-L53 WeakPolarHBondContact O-CG 3.32Å; L42-L53 PolarHBondContact O-N 3Å; L42-I59 HydrophobicContact CD2-CD1 4.31Å; L42-F75 HydrophobicContact CD1-CB 4.02Å; L42-F75 HydrophobicContact CD2-CB 4.49Å; L42-F75 HydrophobicContact CD2-CD1 3.8Å; L42-F75 HydrophobicContact CD2-CE1 4.48Å; L42-F75 HydrophobicContact CD2-CG 4.43Å; L42-F75 HydrophobicContact CG-CB 4.23Å; L42-F75 HydrophobicContact CG-CD1 4Å; L42-L77 HydrophobicContact CD1-CD1 4.45Å |
| 43 | V | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.7 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | T41 E50 I51 T52 F75 I76 R78 | T41-V43 HydrophobicContact CG2-CG2 4.25Å; V43-E50 HydrophobicContact CG1-CB 3.79Å; V43-E50 HydrophobicContact CG1-CG 4.17Å; V43-I51 CarbonylContact C-O 3.6Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; V43-T52 HydrophobicContact CG2-CG2 4.39Å; V43-F75 CarbonylContact O-C 3.46Å; V43-F75 WeakPolarHBondContact O-CA 3.23Å; V43-I76 HydrophobicContact CB-CB 4.38Å; V43-I76 PolarHBondContact N-O 3.35Å; V43-I76 PolarHBondContact O-N 3.42Å; V43-R78 HydrophobicContact CG2-CB 3.97Å |
| 44 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | E50 I51 L53 F62 I73 F75 | A44-E50 CarbonylContact O-C 3.51Å; A44-E50 WeakPolarHBondContact O-CA 3.46Å; A44-I51 PolarHBondContact N-O 2.91Å; A44-I51 PolarHBondContact O-N 3.41Å; A44-L53 HydrophobicContact CB-CD1 4.34Å; A44-L53 HydrophobicContact CB-CD2 4.35Å; A44-L53 HydrophobicContact CB-CG 4.5Å; A44-F62 HydrophobicContact CB-CD1 4.29Å; A44-F62 HydrophobicContact CB-CE1 3.29Å; A44-F62 HydrophobicContact CB-CZ 3.43Å; A44-F62 VanDerWaalsContact CB-CZ 3.43Å; A44-I73 HydrophobicContact CB-CG2 4.1Å; A44-F75 HydrophobicContact CB-CD1 4.1Å; A44-F75 HydrophobicContact CB-CE1 4.08Å |
| 45 | S | 91.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119 | 172.2 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | K49 C74 | S45-K49 WeakPolarHBondContact CA-O 3.25Å; S45-C74 PolarHBondContact N-O 2.89Å; S45-C74 PolarHBondContact O-N 3.45Å |
| 46 | C | 88.5 | Confident | 91.7 | Very high | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131.6 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | D48 K49 T66 I73 | C46-D48 VanDerWaalsContact C-N 3.32Å; C46-D48 PolarHBondContact O-N 2.93Å; C46-K49 PolarHBondContact N-O 2.81Å; C46-K49 WeakPolarHBondContact O-CB 3.41Å; C46-K49 PolarHBondContact O-N 3.08Å; C46-T66 HydrophobicContact CB-CG2 4.43Å; C46-I73 HydrophobicContact CB-CG1 4.28Å |
| 47 | R | 85.4 | Confident | 91.8 | Very high | 183 Ų | 183 | 68.4 Ų | 68.4 | 69% | 0.691 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 50.7 | 179.7 | -54.6 | -174.5 | -171.6 | 172.4 | 6.9 | 113.7 | K49 E68 | R47-K49 PolarHBondContact O-N 2.87Å; R47-K49 VanDerWaalsContact O-N 3.08Å; R47-E68 IonicContact CZ-OE2 3.89Å; R47-E68 IonicContact NE-OE2 2.68Å; R47-E68 PolarHBondContact NE-OE2 3.4Å; R47-E68 IonicContact NH2-OE2 2.78Å; R47-E68 PolarHBondContact NH2-OE2 2.84Å |
| 48 | D | 80.8 | Confident | 92.1 | Very high | 171 Ų | 171 | 69.4 Ų | 69.4 | 91% | 0.914 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 16.2 | -178.3 | -48 | -52.1 | 0 | 0 | 0 | 115.2 | C46 | C46-D48 VanDerWaalsContact C-N 3.32Å; C46-D48 PolarHBondContact O-N 2.93Å |
| 49 | K | 88 | Confident | 92.3 | Very high | 147 Ų | 147 | 66.9 Ų | 66.9 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.2 | 171.1 | -61.1 | -176.9 | 179.9 | -174.9 | 0 | 110 | S45 C46 R47 | S45-K49 WeakPolarHBondContact CA-O 3.25Å; C46-K49 PolarHBondContact N-O 2.81Å; C46-K49 WeakPolarHBondContact O-CB 3.41Å; C46-K49 PolarHBondContact O-N 3.08Å; R47-K49 PolarHBondContact O-N 2.87Å; R47-K49 VanDerWaalsContact O-N 3.08Å |
| 50 | E | 92 | Very high | 92.4 | Very high | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.7 | 165.6 | -68.6 | -165.4 | 166.2 | 0 | 0 | 110.1 | V43 A44 R78 | V43-E50 HydrophobicContact CG1-CB 3.79Å; V43-E50 HydrophobicContact CG1-CG 4.17Å; A44-E50 CarbonylContact O-C 3.51Å; A44-E50 WeakPolarHBondContact O-CA 3.46Å; E50-R78 VanDerWaalsContact CD-NH2 3.29Å; E50-R78 IonicContact OE1-NH2 2.79Å; E50-R78 PolarHBondContact OE1-NH2 3.45Å; E50-R78 VanDerWaalsContact OE1-NH2 3.13Å; E50-R78 IonicContact OE2-CZ 3.3Å; E50-R78 VanDerWaalsContact OE2-CZ 3.26Å; E50-R78 IonicContact OE2-NH1 3.1Å; E50-R78 PolarHBondContact OE2-NH1 3.43Å; E50-R78 IonicContact OE2-NH2 3.12Å; E50-R78 PolarHBondContact OE2-NH2 3.29Å |
| 51 | I | 93.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 35% | 0.349 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.6 | 175.3 | -56.5 | 174 | 0 | 0 | 0 | 107.2 | V43 A44 L53 F62 | V43-I51 CarbonylContact C-O 3.6Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; A44-I51 PolarHBondContact N-O 2.91Å; A44-I51 PolarHBondContact O-N 3.41Å; I51-L53 HydrophobicContact CG2-CD2 4.35Å; I51-F62 HydrophobicContact CB-CE2 4.28Å; I51-F62 HydrophobicContact CB-CZ 4.33Å; I51-F62 HydrophobicContact CD1-CE2 4.01Å; I51-F62 HydrophobicContact CD1-CZ 4.07Å; I51-F62 HydrophobicContact CG2-CE2 4Å |
| 52 | T | 94.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 62.5 Ų | 62.5 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.2 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 108.5 | T41 V43 | T41-T52 HydrophobicContact CG2-CG2 3.94Å; T41-T52 VanDerWaalsContact OG1-CG2 3.24Å; T41-T52 WeakPolarHBondContact OG1-CG2 3.49Å; V43-T52 HydrophobicContact CG2-CG2 4.39Å |
| 53 | L | 94.6 | Very high | 92 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 146.2 | -174.5 | -53.9 | 175.8 | 0 | 0 | 0 | 111.2 | C23 L42 A44 I51 E57 F62 F75 | C23-L53 HydrophobicContact CB-CB 4.46Å; L42-L53 HydrophobicContact CB-CD1 4.31Å; L42-L53 HydrophobicContact CD2-CD1 4.11Å; L42-L53 HydrophobicContact CG-CD1 4.24Å; L42-L53 WeakPolarHBondContact O-CB 3.42Å; L42-L53 WeakPolarHBondContact O-CG 3.32Å; L42-L53 PolarHBondContact O-N 3Å; A44-L53 HydrophobicContact CB-CD1 4.34Å; A44-L53 HydrophobicContact CB-CD2 4.35Å; A44-L53 HydrophobicContact CB-CG 4.5Å; I51-L53 HydrophobicContact CG2-CD2 4.35Å; L53-E57 VanDerWaalsContact CA-OE2 3.32Å; L53-E57 WeakPolarHBondContact CA-OE2 3.4Å; L53-F62 HydrophobicContact CD1-CD1 4.48Å; L53-F62 HydrophobicContact CD2-CB 4.45Å; L53-F62 HydrophobicContact CD2-CD1 4.02Å; L53-F62 HydrophobicContact CD2-CD2 3.36Å; L53-F62 HydrophobicContact CD2-CE1 4.14Å; L53-F62 HydrophobicContact CD2-CE2 3.5Å; L53-F62 VanDerWaalsContact CD2-CE2 3.5Å; L53-F62 HydrophobicContact CD2-CG 3.64Å; L53-F62 HydrophobicContact CD2-CZ 3.9Å; L53-F75 HydrophobicContact CD1-CD1 4.01Å; L53-F75 HydrophobicContact CD1-CE1 3.82Å |
| 54 | S | 94 | Very high | 91.8 | Very high | 59 Ų | 59 | 68.8 Ų | 68.8 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 145.3 | 173.1 | -148.6 | 0 | 0 | 0 | 0 | 110 | C23 E56 E57 | C23-S54 WeakPolarHBondContact CB-O 3.28Å; S54-E56 WeakPolarHBondContact CB-OE2 3.32Å; S54-E56 PolarHBondContact O-N 3.23Å; S54-E56 PolarHBondContact OG-OE2 3.22Å; S54-E57 PolarHBondContact N-OE2 2.96Å; S54-E57 WeakPolarHBondContact O-CB 3.33Å; S54-E57 PolarHBondContact O-N 3.49Å |
| 55 | P | 93.8 | Very high | 91.6 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -34.7 | 176.9 | 17.8 | -27.8 | 0 | 0 | 0 | 113 | C23 E24 E57 | C23-P55 PolarHBondContact N-O 3.45Å; E24-P55 HydrophobicContact CB-CB 3.95Å; E24-P55 WeakPolarHBondContact CB-O 3.32Å; E24-P55 PolarHBondContact N-O 2.82Å; P55-E57 VanDerWaalsContact C-N 3.27Å; P55-E57 PolarHBondContact O-N 3.46Å |
| 56 | E | 94.6 | Very high | 91.4 | Very high | 131 Ų | 131 | 75.5 Ų | 75.5 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.5 | 177.9 | -47.8 | 80.9 | 179.7 | 0 | 0 | 113.6 | S54 | S54-E56 WeakPolarHBondContact CB-OE2 3.32Å; S54-E56 PolarHBondContact O-N 3.23Å; S54-E56 PolarHBondContact OG-OE2 3.22Å |
| 57 | E | 93.8 | Very high | 91.1 | Very high | 52 Ų | 52 | 83.8 Ų | 83.8 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | trans | -72.8 | 137.5 | -174 | -165.3 | 172 | 174.2 | 0 | 0 | 111.2 | T22 C23 L53 S54 P55 F62 | T22-E57 CarbonylContact C-O 3.5Å; T22-E57 WeakPolarHBondContact CA-O 3.33Å; C23-E57 PolarHBondContact N-O 2.9Å; C23-E57 PolarHBondContact SG-O 3.08Å; L53-E57 VanDerWaalsContact CA-OE2 3.32Å; L53-E57 WeakPolarHBondContact CA-OE2 3.4Å; S54-E57 PolarHBondContact N-OE2 2.96Å; S54-E57 WeakPolarHBondContact O-CB 3.33Å; S54-E57 PolarHBondContact O-N 3.49Å; P55-E57 VanDerWaalsContact C-N 3.27Å; P55-E57 PolarHBondContact O-N 3.46Å; E57-F62 VanDerWaalsContact OE1-CD2 3.31Å; E57-F62 WeakPolarHBondContact OE1-CD2 3.47Å | ||
| 58 | R | 94.8 | Very high | 90.9 | Very high | 115 Ų | 115 | 76.4 Ų | 76.4 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -90.9 | 122.1 | -179.1 | -70.2 | 170.9 | 177.6 | -137.8 | 7.1 | 110.1 | E19 I60 N61 F62 | E19-R58 WeakPolarHBondContact O-CD 3.29Å; E19-R58 PolarHBondContact O-NH1 2.99Å; R58-I60 VanDerWaalsContact C-N 3.27Å; R58-I60 PolarHBondContact O-N 3.28Å; R58-N61 HydrophobicContact CB-CB 4.1Å; R58-N61 WeakPolarHBondContact O-CA 3.41Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 2.81Å; R58-F62 PolarHBondContact O-N 2.95Å |
| 59 | I | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.6 | -40.8 | -174.2 | -63.8 | 172.1 | 0 | 0 | 0 | 111.8 | M1 I3 I17 T21 V26 L42 N61 I63 F75 | M1-I59 HydrophobicContact CE-CG2 4.18Å; I3-I59 HydrophobicContact CD1-CD1 4.19Å; I3-I59 HydrophobicContact CD1-CG2 4.21Å; I3-I59 HydrophobicContact CG2-CG2 4.3Å; I17-I59 HydrophobicContact CD1-CD1 4.36Å; I17-I59 HydrophobicContact CG2-CB 4.28Å; I17-I59 HydrophobicContact CG2-CG2 4.35Å; T21-I59 PolarHBondContact O-N 3.35Å; V26-I59 HydrophobicContact CB-CD1 3.87Å; V26-I59 HydrophobicContact CG1-CD1 4.29Å; V26-I59 HydrophobicContact CG2-CD1 3.43Å; V26-I59 VanDerWaalsContact CG2-CD1 3.43Å; L42-I59 HydrophobicContact CD2-CD1 4.31Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 2.83Å; I59-I63 HydrophobicContact CG2-CD1 3.93Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.1Å; I59-F75 HydrophobicContact CG2-CE1 4.29Å; I59-F75 HydrophobicContact CG2-CZ 3.94Å |
| 60 | I | 93.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.7 | -60.5 | -161.8 | 0 | 0 | 0 | 111.9 | M1 I17 N18 E19 R58 K64 | M1-I60 HydrophobicContact CB-CD1 4.37Å; M1-I60 HydrophobicContact CE-CD1 4.3Å; M1-I60 HydrophobicContact CE-CG1 3.73Å; M1-I60 HydrophobicContact SD-CD1 4.28Å; M1-I60 HydrophobicContact SD-CG1 4.09Å; I17-I60 HydrophobicContact CG2-CD1 4.33Å; I17-I60 HydrophobicContact CG2-CG1 3.98Å; N18-I60 WeakPolarHBondContact O-CD1 3.3Å; E19-I60 HydrophobicContact CG-CD1 4.13Å; E19-I60 HydrophobicContact CG-CG2 4.3Å; R58-I60 VanDerWaalsContact C-N 3.27Å; R58-I60 PolarHBondContact O-N 3.28Å; I60-K64 HydrophobicContact CG2-CD 4.07Å; I60-K64 HydrophobicContact CG2-CG 4.46Å; I60-K64 WeakPolarHBondContact O-CB 3.5Å; I60-K64 VanDerWaalsContact O-CG 3.26Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 3.45Å |
| 61 | N | 92.8 | Very high | 90.5 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70 | -46.9 | 178.3 | -68.6 | 2.7 | 0 | 0 | 0 | 110.5 | R58 I59 I63 K64 E65 | R58-N61 HydrophobicContact CB-CB 4.1Å; R58-N61 WeakPolarHBondContact O-CA 3.41Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 2.81Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 2.83Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.06Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 3.41Å; N61-K64 VanDerWaalsContact O-N 3.09Å; N61-E65 WeakPolarHBondContact O-CG 3.32Å; N61-E65 PolarHBondContact O-N 2.9Å |
| 62 | F | 92.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.9 | -45.4 | 174.7 | 173.6 | -98.8 | 0 | 0 | 0 | 112.5 | A44 I51 L53 E57 R58 E65 T66 I73 F75 | A44-F62 HydrophobicContact CB-CD1 4.29Å; A44-F62 HydrophobicContact CB-CE1 3.29Å; A44-F62 HydrophobicContact CB-CZ 3.43Å; A44-F62 VanDerWaalsContact CB-CZ 3.43Å; I51-F62 HydrophobicContact CB-CE2 4.28Å; I51-F62 HydrophobicContact CB-CZ 4.33Å; I51-F62 HydrophobicContact CD1-CE2 4.01Å; I51-F62 HydrophobicContact CD1-CZ 4.07Å; I51-F62 HydrophobicContact CG2-CE2 4Å; L53-F62 HydrophobicContact CD1-CD1 4.48Å; L53-F62 HydrophobicContact CD2-CB 4.45Å; L53-F62 HydrophobicContact CD2-CD1 4.02Å; L53-F62 HydrophobicContact CD2-CD2 3.36Å; L53-F62 HydrophobicContact CD2-CE1 4.14Å; L53-F62 HydrophobicContact CD2-CE2 3.5Å; L53-F62 VanDerWaalsContact CD2-CE2 3.5Å; L53-F62 HydrophobicContact CD2-CG 3.64Å; L53-F62 HydrophobicContact CD2-CZ 3.9Å; E57-F62 VanDerWaalsContact OE1-CD2 3.31Å; E57-F62 WeakPolarHBondContact OE1-CD2 3.47Å; R58-F62 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 3.36Å; F62-T66 WeakPolarHBondContact CZ-OG1 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.46Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.46Å; F62-I73 HydrophobicContact CE1-CG2 4.28Å; F62-F75 HydrophobicContact CD1-CE1 4.2Å; F62-F75 HydrophobicContact CD1-CZ 4.41Å; F62-F75 HydrophobicContact CE1-CE1 4.38Å |
| 63 | I | 91.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177 | -68 | 168.8 | 0 | 0 | 0 | 111.2 | M1 I3 I59 N61 E65 T66 P70 I73 F75 | M1-I63 HydrophobicContact CE-CD1 3.49Å; M1-I63 VanDerWaalsContact CE-CD1 3.49Å; M1-I63 HydrophobicContact SD-CD1 4.02Å; I3-I63 HydrophobicContact CG2-CD1 4.27Å; I59-I63 HydrophobicContact CG2-CD1 3.93Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.1Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.06Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.35Å; I63-T66 PolarHBondContact O-N 2.98Å; I63-P70 HydrophobicContact CG2-CB 4.07Å; I63-I73 HydrophobicContact CB-CD1 4.29Å; I63-I73 HydrophobicContact CG1-CD1 3.88Å; I63-I73 HydrophobicContact CG2-CD1 4.16Å; I63-F75 HydrophobicContact CD1-CE2 4.29Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; I63-F75 HydrophobicContact CG1-CZ 4.02Å |
| 64 | K | 90.6 | Very high | 89.9 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.2 | -74.7 | 169.9 | 180 | 172.9 | 0 | 111.8 | E19 I60 N61 | E19-K64 IonicContact OE1-NZ 3.13Å; E19-K64 PolarHBondContact OE1-NZ 2.92Å; I60-K64 HydrophobicContact CG2-CD 4.07Å; I60-K64 HydrophobicContact CG2-CG 4.46Å; I60-K64 WeakPolarHBondContact O-CB 3.5Å; I60-K64 VanDerWaalsContact O-CG 3.26Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 3.45Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 3.41Å; N61-K64 VanDerWaalsContact O-N 3.09Å |
| 65 | E | 89.8 | Confident | 90 | Very high | 142 Ų | 142 | 66.6 Ų | 66.6 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.6 | -37.8 | -179.9 | -74.3 | 176.8 | -153.7 | 0 | 0 | 112.9 | N61 F62 I63 K67 | N61-E65 WeakPolarHBondContact O-CG 3.32Å; N61-E65 PolarHBondContact O-N 2.9Å; F62-E65 PolarHBondContact O-N 3.36Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.35Å; E65-K67 PolarHBondContact O-N 2.88Å; E65-K67 VanDerWaalsContact O-N 3.15Å |
| 66 | T | 86.2 | Confident | 90 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -17.5 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | C46 F62 I63 E68 I73 | C46-T66 HydrophobicContact CB-CG2 4.43Å; F62-T66 WeakPolarHBondContact CZ-OG1 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.46Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.46Å; I63-T66 PolarHBondContact O-N 2.98Å; T66-E68 HydrophobicContact CG2-CB 3.78Å; T66-E68 PolarHBondContact O-N 3.2Å; T66-E68 VanDerWaalsContact O-N 3.1Å; T66-I73 HydrophobicContact CG2-CD1 4.41Å |
| 67 | K | 82.5 | Confident | 90.1 | Very high | 186 Ų | 186 | 59.7 Ų | 59.7 | 81% | 0.809 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 28.4 | -176.8 | -63.1 | -178.6 | -179.6 | 177.8 | 0 | 113.6 | E65 | E65-K67 PolarHBondContact O-N 2.88Å; E65-K67 VanDerWaalsContact O-N 3.15Å |
| 68 | E | 81.8 | Confident | 90.1 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -110.2 | 152.7 | -179.3 | -174.1 | 54.1 | -126.9 | 0 | 0 | 108.9 | R47 T66 N72 I73 | R47-E68 IonicContact CZ-OE2 3.89Å; R47-E68 IonicContact NE-OE2 2.68Å; R47-E68 PolarHBondContact NE-OE2 3.4Å; R47-E68 IonicContact NH2-OE2 2.78Å; R47-E68 PolarHBondContact NH2-OE2 2.84Å; T66-E68 HydrophobicContact CG2-CB 3.78Å; T66-E68 PolarHBondContact O-N 3.2Å; T66-E68 VanDerWaalsContact O-N 3.1Å; E68-N72 HydrophobicContact CG-CB 3.9Å; E68-N72 VanDerWaalsContact OE1-CB 3.26Å; E68-N72 WeakPolarHBondContact OE1-CB 3.48Å; E68-N72 PolarHBondContact OE1-ND2 3.41Å; E68-I73 HydrophobicContact CB-CD1 4.24Å; E68-I73 HydrophobicContact CB-CG1 4.23Å; E68-I73 HydrophobicContact CG-CG1 4.06Å |
| 69 | N | 84.2 | Confident | 89.9 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | trans | -65.1 | 136 | 174.1 | -79.4 | -73.9 | 0 | 0 | 0 | 109.2 | S71 N72 | N69-S71 PolarHBondContact O-N 3.39Å; N69-S71 VanDerWaalsContact O-N 3.08Å; N69-N72 WeakPolarHBondContact O-CB 3.34Å; N69-N72 PolarHBondContact O-N 2.93Å | ||
| 70 | P | 83.5 | Confident | 89.7 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -56.3 | -31.7 | -179.7 | 21.1 | -32.5 | 0 | 0 | 0 | 112.4 | I63 N72 I73 | I63-P70 HydrophobicContact CG2-CB 4.07Å; P70-N72 PolarHBondContact O-N 3.44Å; P70-I73 PolarHBondContact O-N 2.93Å |
| 71 | S | 85 | Confident | 88.7 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.1 | -20.9 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 115 | N69 | N69-S71 PolarHBondContact O-N 3.39Å; N69-S71 VanDerWaalsContact O-N 3.08Å |
| 72 | N | 88 | Confident | 86.7 | Confident | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -98.3 | -3.5 | -178.9 | -66.4 | -9.9 | 0 | 0 | 0 | 112.6 | E68 N69 P70 | E68-N72 HydrophobicContact CG-CB 3.9Å; E68-N72 VanDerWaalsContact OE1-CB 3.26Å; E68-N72 WeakPolarHBondContact OE1-CB 3.48Å; E68-N72 PolarHBondContact OE1-ND2 3.41Å; N69-N72 WeakPolarHBondContact O-CB 3.34Å; N69-N72 PolarHBondContact O-N 2.93Å; P70-N72 PolarHBondContact O-N 3.44Å |
| 73 | I | 90.8 | Very high | 84.2 | Confident | 7 Ų | 7 | 80.1 Ų | 80.1 | 4% | 0.036 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 116.8 | 176.6 | -58.5 | 170.2 | 0 | 0 | 0 | 107.7 | A44 C46 F62 I63 T66 E68 P70 F75 | A44-I73 HydrophobicContact CB-CG2 4.1Å; C46-I73 HydrophobicContact CB-CG1 4.28Å; F62-I73 HydrophobicContact CE1-CG2 4.28Å; I63-I73 HydrophobicContact CB-CD1 4.29Å; I63-I73 HydrophobicContact CG1-CD1 3.88Å; I63-I73 HydrophobicContact CG2-CD1 4.16Å; T66-I73 HydrophobicContact CG2-CD1 4.41Å; E68-I73 HydrophobicContact CB-CD1 4.24Å; E68-I73 HydrophobicContact CB-CG1 4.23Å; E68-I73 HydrophobicContact CG-CG1 4.06Å; P70-I73 PolarHBondContact O-N 2.93Å; I73-F75 HydrophobicContact CB-CE2 4.36Å; I73-F75 HydrophobicContact CG2-CD2 4.19Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; I73-F75 HydrophobicContact CG2-CE2 3.69Å; I73-F75 HydrophobicContact CG2-CZ 3.71Å |
| 74 | C | 91 | Very high | 81.6 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.8 | 173 | -174 | 0 | 0 | 0 | 0 | 109.1 | S45 | S45-C74 PolarHBondContact N-O 2.89Å; S45-C74 PolarHBondContact O-N 3.45Å |
| 75 | F | 95.4 | Very high | 79.4 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 0% | 0.004 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 146.7 | 173 | -61.9 | -91.9 | 0 | 0 | 0 | 109.6 | I3 K4 V5 N6 L42 V43 A44 L53 I59 F62 I63 I73 | I3-F75 HydrophobicContact CB-CD2 3.96Å; I3-F75 HydrophobicContact CB-CE2 3.92Å; I3-F75 HydrophobicContact CD1-CD2 3.78Å; I3-F75 HydrophobicContact CD1-CE2 4.02Å; I3-F75 HydrophobicContact CD1-CG 4.1Å; I3-F75 HydrophobicContact CG1-CD2 4.24Å; I3-F75 HydrophobicContact CG1-CE2 4.5Å; I3-F75 HydrophobicContact CG2-CD2 4.41Å; I3-F75 HydrophobicContact CG2-CE2 3.86Å; K4-F75 PolarHBondContact O-N 3.4Å; V5-F75 CarbonylContact C-O 3.57Å; V5-F75 VanDerWaalsContact CA-O 3.31Å; V5-F75 WeakPolarHBondContact CA-O 3.27Å; V5-F75 HydrophobicContact CB-CB 4.37Å; V5-F75 HydrophobicContact CG1-CB 4.13Å; V5-F75 HydrophobicContact CG2-CB 4.04Å; N6-F75 PolarHBondContact N-O 3.35Å; L42-F75 HydrophobicContact CD1-CB 4.02Å; L42-F75 HydrophobicContact CD2-CB 4.49Å; L42-F75 HydrophobicContact CD2-CD1 3.8Å; L42-F75 HydrophobicContact CD2-CE1 4.48Å; L42-F75 HydrophobicContact CD2-CG 4.43Å; L42-F75 HydrophobicContact CG-CB 4.23Å; L42-F75 HydrophobicContact CG-CD1 4Å; V43-F75 CarbonylContact O-C 3.46Å; V43-F75 WeakPolarHBondContact O-CA 3.23Å; A44-F75 HydrophobicContact CB-CD1 4.1Å; A44-F75 HydrophobicContact CB-CE1 4.08Å; L53-F75 HydrophobicContact CD1-CD1 4.01Å; L53-F75 HydrophobicContact CD1-CE1 3.82Å; I59-F75 HydrophobicContact CG2-CE1 4.29Å; I59-F75 HydrophobicContact CG2-CZ 3.94Å; F62-F75 HydrophobicContact CD1-CE1 4.2Å; F62-F75 HydrophobicContact CD1-CZ 4.41Å; F62-F75 HydrophobicContact CE1-CE1 4.38Å; I63-F75 HydrophobicContact CD1-CE2 4.29Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; I63-F75 HydrophobicContact CG1-CZ 4.02Å; I73-F75 HydrophobicContact CB-CE2 4.36Å; I73-F75 HydrophobicContact CG2-CD2 4.19Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; I73-F75 HydrophobicContact CG2-CE2 3.69Å; I73-F75 HydrophobicContact CG2-CZ 3.71Å |
| 76 | I | 94.8 | Very high | 77.1 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 19% | 0.185 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.8 | -178 | -52.3 | 173.4 | 0 | 0 | 0 | 107.4 | N6 V43 R78 | N6-I76 HydrophobicContact CB-CG1 4.35Å; N6-I76 WeakPolarHBondContact O-CA 3.4Å; V43-I76 HydrophobicContact CB-CB 4.38Å; V43-I76 PolarHBondContact N-O 3.35Å; V43-I76 PolarHBondContact O-N 3.42Å; I76-R78 PolarHBondContact O-N 2.93Å |
| 77 | L | 95.3 | Very high | 74.7 | Confident | 5 Ų | 5 | 82.8 Ų | 82.8 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 103.5 | 173.4 | -170.2 | 69.5 | 0 | 0 | 0 | 108.2 | V5 N6 I7 I27 L30 L36 Y40 L42 | V5-L77 HydrophobicContact CG1-CB 4.22Å; N6-L77 PolarHBondContact O-N 2.97Å; I7-L77 HydrophobicContact CD1-CD2 4.01Å; I7-L77 HydrophobicContact CG1-CB 3.98Å; I7-L77 HydrophobicContact CG1-CD2 4.18Å; I7-L77 HydrophobicContact CG2-CD2 4.17Å; I27-L77 HydrophobicContact CB-CD1 4.36Å; I27-L77 HydrophobicContact CG1-CD1 3.96Å; I27-L77 HydrophobicContact CG2-CD1 4.24Å; L30-L77 HydrophobicContact CB-CD2 4.04Å; L36-L77 HydrophobicContact CD1-CD2 4.13Å; Y40-L77 HydrophobicContact CD1-CD1 4.49Å; Y40-L77 HydrophobicContact CD1-CD2 4.21Å; Y40-L77 HydrophobicContact CD1-CG 3.93Å; Y40-L77 HydrophobicContact CG-CD1 4.46Å; Y40-L77 HydrophobicContact CG-CG 4.36Å; L42-L77 HydrophobicContact CD1-CD1 4.45Å |
| 78 | R | 94 | Very high | 72.6 | Confident | 99 Ų | 99 | 79.2 Ų | 79.2 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.9 | -178.6 | -174.5 | 169.2 | -70.6 | 163.2 | 1 | 109.1 | Y40 T41 V43 E50 I76 L80 | Y40-R78 CarbonylContact C-O 3.59Å; Y40-R78 WeakPolarHBondContact CA-O 3.46Å; T41-R78 HydrophobicContact CG2-CB 4.1Å; T41-R78 PolarHBondContact N-O 3.35Å; T41-R78 PolarHBondContact O-N 3.49Å; V43-R78 HydrophobicContact CG2-CB 3.97Å; E50-R78 VanDerWaalsContact CD-NH2 3.29Å; E50-R78 IonicContact OE1-NH2 2.79Å; E50-R78 PolarHBondContact OE1-NH2 3.45Å; E50-R78 VanDerWaalsContact OE1-NH2 3.13Å; E50-R78 IonicContact OE2-CZ 3.3Å; E50-R78 VanDerWaalsContact OE2-CZ 3.26Å; E50-R78 IonicContact OE2-NH1 3.1Å; E50-R78 PolarHBondContact OE2-NH1 3.43Å; E50-R78 IonicContact OE2-NH2 3.12Å; E50-R78 PolarHBondContact OE2-NH2 3.29Å; I76-R78 PolarHBondContact O-N 2.93Å; R78-L80 PolarHBondContact O-N 3Å |
| 79 | R | 91.8 | Very high | 70.5 | Confident | 147 Ų | 147 | 87.1 Ų | 87.1 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 122.1 | 171.1 | -165.6 | 178 | -165.9 | -168 | 4.4 | 108.5 | P37 Y40 E81 | P37-R79 PolarHBondContact O-NH2 3.25Å; Y40-R79 VanDerWaalsContact CD1-CA 3.47Å; Y40-R79 HydrophobicContact CD1-CB 3.98Å; Y40-R79 HydrophobicContact CD1-CG 4.29Å; Y40-R79 HydrophobicContact CE1-CB 3.62Å; Y40-R79 HydrophobicContact CE1-CG 3.75Å; R79-E81 PolarHBondContact O-N 2.99Å |
| 80 | L | 88 | Confident | 68.5 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 116.2 | 162 | -69.9 | 164 | 0 | 0 | 0 | 105.2 | F39 T41 R78 A82 | F39-L80 HydrophobicContact CB-CB 3.93Å; F39-L80 HydrophobicContact CB-CD1 4.11Å; F39-L80 PolarHBondContact O-N 3.34Å; T41-L80 HydrophobicContact CG2-CD2 3.87Å; T41-L80 HydrophobicContact CG2-CG 4.01Å; R78-L80 PolarHBondContact O-N 3Å; L80-A82 PolarHBondContact O-N 2.99Å |
| 81 | E | 72.4 | Confident | 66.7 | Low | 182 Ų | 182 | 92.2 Ų | 92.2 | 85% | 0.85 | 51% | 0.505 | S | S | * | . | trans | -54.5 | 114.2 | 164.6 | -69.1 | -166.8 | 168.7 | 0 | 0 | 106.5 | R79 V83 | R79-E81 PolarHBondContact O-N 2.99Å; E81-V83 PolarHBondContact O-N 2.89Å | ||
| 82 | A | 50.3 | Low | 64.7 | Low | 60 Ų | 60 | 96.3 Ų | 96.3 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | trans | -56.3 | 124.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | F39 L80 S84 | F39-A82 HydrophobicContact CD2-CB 4.02Å; F39-A82 HydrophobicContact CE2-CB 4.45Å; L80-A82 PolarHBondContact O-N 2.99Å; A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.49Å | ||
| 83 | V | 40.9 | Very low | 62.1 | Low | 116 Ų | 116 | 95.9 Ų | 95.9 | 70% | 0.703 | 52% | 0.519 | S | S | * | . | trans | -53.5 | 105.9 | 163.9 | -173.7 | 0 | 0 | 0 | 0 | 104.4 | E81 | E81-V83 PolarHBondContact O-N 2.89Š| ||
| 84 | S | 37 | Very low | 59.9 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | trans | -47.2 | 134.8 | 171.3 | 174 | 0 | 0 | 0 | 0 | 105.7 | A82 F86 S87 | A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.49Å; S84-F86 PolarHBondContact O-N 3.13Å; S84-S87 PolarHBondContact O-N 3.34Å | ||
| 85 | P | 44.3 | Very low | 57.7 | Low | 98 Ų | 98 | 109.2 Ų | 109.2 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 8.2 | -176.9 | -28.8 | 36.9 | 0 | 0 | 0 | 115.9 | ||
| 86 | F | 41.4 | Very low | 55 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 53% | 0.531 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132 | 27.2 | 178.3 | -59.4 | -73.9 | 0 | 0 | 0 | 113.7 | S84 P88 I203 | S84-F86 PolarHBondContact O-N 3.13Å; F86-P88 VanDerWaalsContact O-CD 3.27Å; F86-P88 WeakPolarHBondContact O-CD 3.48Å; F86-I203 HydrophobicContact CD2-CG2 3.78Å; F86-I203 HydrophobicContact CE2-CG2 3.37Å; F86-I203 HydrophobicContact CZ-CG2 3.87Å |
| 87 | S | 35.8 | Very low | 52.8 | Low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | trans | -68.2 | 118 | 162 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | S84 K89 | S84-S87 PolarHBondContact O-N 3.34Å; S87-K89 PolarHBondContact O-N 2.89Å | ||
| 88 | P | 39.1 | Very low | 50.4 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | trans | -66.4 | 114.2 | -178.7 | -16.2 | 30.4 | 0 | 0 | 0 | 108.7 | F86 I90 | F86-P88 VanDerWaalsContact O-CD 3.27Å; F86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-I90 PolarHBondContact O-N 2.9Å | ||
| 89 | K | 38.6 | Very low | 47.6 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | -54.6 | 114.1 | 163.6 | -68.6 | 178.6 | 179.8 | 178.4 | 0 | 106.9 | S87 P91 | S87-K89 PolarHBondContact O-N 2.89Å; K89-P91 WeakPolarHBondContact O-CD 3.5Å; K89-P91 WeakPolarHBondContact O-CG 3.48Å; K89-P91 VanDerWaalsContact O-N 3.09Å | ||
| 90 | I | 40.9 | Very low | 45.3 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | -62 | 106.1 | 164.4 | -61.4 | 169.7 | 0 | 0 | 0 | 106 | P88 K92 | P88-I90 PolarHBondContact O-N 2.9Å; I90-K92 PolarHBondContact O-N 3.49Å | ||
| 91 | P | 46 | Very low | 43.1 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -80.6 | 124.7 | 178.9 | -3.7 | 24.9 | 0 | 0 | 0 | 106.7 | K89 A93 | K89-P91 WeakPolarHBondContact O-CD 3.5Å; K89-P91 WeakPolarHBondContact O-CG 3.48Å; K89-P91 VanDerWaalsContact O-N 3.09Å; P91-A93 PolarHBondContact O-N 3.29Å; P91-A93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | K | 43.5 | Very low | 41.5 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -57.9 | 119.6 | 174.6 | -70.2 | 176.9 | 177.5 | 177.3 | 0 | 109.5 | I90 | I90-K92 PolarHBondContact O-N 3.49Š| ||
| 93 | A | 34 | Very low | 41.1 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 2.9 | 108.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | P91 | P91-A93 PolarHBondContact O-N 3.29Å; P91-A93 VanDerWaalsContact O-N 3.11Å | ||
| 94 | Y | 42.7 | Very low | 41.2 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | -140.9 | 151.2 | 149 | -76.1 | -71.3 | 0 | 0 | 0 | 109.8 | ||||
| 95 | P | 46.3 | Very low | 41.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -87.7 | 166 | -152.2 | 33.9 | -37.5 | 0 | 0 | 0 | 116 | ||||
| 96 | P | 38.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -86.2 | 150.4 | -169.6 | 34.8 | -36.4 | 0 | 0 | 0 | 114.5 | ||||
| 97 | V | 48.6 | Very low | 41.1 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -135.4 | 143.3 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 98 | P | 43.8 | Very low | 41.4 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -90.3 | 165.4 | -144.3 | -15 | 33.1 | 0 | 0 | 0 | 119.4 | ||||
| 99 | N | 34.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -51.7 | 133.8 | 172.3 | -163.6 | 17.3 | 0 | 0 | 0 | 114.8 | ||||
| 100 | H | 44.8 | Very low | 41.7 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -134.8 | 126.7 | 160.3 | -80.5 | -67.5 | 0 | 0 | 0 | 111.7 | ||||
| 101 | Q | 41.3 | Very low | 41.7 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -83 | 146 | -171.5 | -170.2 | 176 | 14 | 0 | 0 | 111.8 | ||||
| 102 | P | 38.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -73.9 | 141.6 | -177.6 | 29.9 | -35.6 | 0 | 0 | 0 | 112.4 | ||||
| 103 | T | 42.9 | Very low | 41.5 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -126.7 | 135.4 | 169.1 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | S | 42.2 | Very low | 42.1 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 155.3 | -177.8 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 105 | R | 40.8 | Very low | 42.2 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | 178.4 | 164.4 | 122.1 | -94.6 | 174.4 | -179.4 | -146.3 | -1.5 | 112.4 | |||||
| 106 | P | 40.3 | Very low | 42.1 | Very low | 102 Ų | 102 | 150 Ų | 150 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | trans | -125.1 | -178.6 | -141.7 | 45.1 | -35 | 0 | 0 | 0 | 116.6 | ||||
| 107 | H | 38.8 | Very low | 42.3 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 116.2 | 153 | -75.1 | -14.2 | 0 | 0 | 0 | 120 | ||||
| 108 | Q | 42.9 | Very low | 42.3 | Very low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | -161.7 | 131.7 | 116.8 | -104.9 | 165 | 36.9 | 0 | 0 | 112.4 | |||||
| 109 | Q | 37.9 | Very low | 42.4 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 178.2 | 159.9 | -89.7 | -167.5 | -22 | 0 | 0 | 107.5 | ||||
| 110 | P | 45.8 | Very low | 43 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | cis | -148.5 | -177.3 | 20.2 | 43.8 | -23.7 | 0 | 0 | 0 | 118.8 | ||||
| 111 | S | 40.6 | Very low | 42.9 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 74.9 | 145.8 | 148.9 | 85.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 112 | R | 43.3 | Very low | 42.8 | Very low | 239 Ų | 239 | 147.9 Ų | 147.9 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | cis | -131.6 | -162.8 | 0.9 | -58.8 | 174.8 | 163.5 | 139.2 | -3.5 | 108.1 | ||||
| 113 | S | 42.2 | Very low | 42.9 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | cis | -157.3 | 146.4 | 3.1 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 114 | S | 47 | Very low | 43 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -9.9 | 133.4 | 161.3 | -49.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 115 | S | 44.1 | Very low | 43 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | -177.6 | 126 | 100 | -79.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 116 | R | 44.1 | Very low | 43 | Very low | 237 Ų | 237 | 143 Ų | 143 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 27.5 | 138.8 | 126.3 | -68.5 | -178.8 | -175.7 | -151.1 | -1.2 | 118.9 | |||||
| 117 | R | 43.8 | Very low | 43 | Very low | 219 Ų | 219 | 145.7 Ų | 145.7 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | cis | -150.3 | 134.7 | 21.2 | -99.6 | 171.9 | 167.4 | 161 | -7 | 107.8 | ||||
| 118 | S | 47.3 | Very low | 42.9 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | 52.2 | 99.7 | 83.6 | 83.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 119 | N | 46 | Very low | 42.8 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | 176.4 | 164 | 106.5 | -86.5 | 2 | 0 | 0 | 0 | 113.8 | |||||
| 120 | V | 48 | Very low | 42.4 | Very low | 142 Ų | 142 | 138 Ų | 138 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -110 | 160.7 | -163.9 | 164 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | P | 43.6 | Very low | 42 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -109.3 | -146.2 | -154.6 | 42.2 | -33 | 0 | 0 | 0 | 114.2 | ||||
| 122 | V | 38.5 | Very low | 41.9 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 103.1 | 156.2 | 166.6 | -170.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 123 | T | 41 | Very low | 41.7 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 85.9 | 103.4 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 124 | S | 44.9 | Very low | 41.5 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 94.3 | 153.9 | 79.4 | 73.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 125 | E | 41.4 | Very low | 41.3 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -172.6 | 163.5 | 14.8 | -140 | 171.6 | -136 | 0 | 0 | 109.5 | ||||
| 126 | N | 40.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 64.9 | 156 | 152.6 | -57.3 | -34.1 | 0 | 0 | 0 | 119.9 | ||||
| 127 | K | 41.4 | Very low | 41.1 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | -160 | 149.8 | -15 | -119 | -177.2 | 176.9 | -124.5 | 0 | 111.4 | ||||
| 128 | E | 36.5 | Very low | 41 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | trans | 20.3 | 138.7 | 141.3 | -60.7 | 173.4 | 127.5 | 0 | 0 | 123 | ||||
| 129 | L | 40.3 | Very low | 40.5 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | 158.7 | 112.3 | 116.3 | -91.3 | 126.6 | 0 | 0 | 0 | 109.5 | |||||
| 130 | C | 30.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | 61.5 | 133.7 | 99.4 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 131 | S | 37.3 | Very low | 39.4 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -163.3 | 146.4 | 36.6 | -47 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 132 | S | 37.8 | Very low | 39.2 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 34.8 | 124.1 | 135.5 | -47.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 133 | T | 38.6 | Very low | 39.1 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | 161.9 | 153 | 116.5 | 37 | 0 | 0 | 0 | 0 | 110 | |||||
| 134 | S | 38.9 | Very low | 38.3 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | cis | 161.5 | 103.7 | -29.6 | -90.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 135 | S | 42.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 163 | 111.6 | 155 | 42 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 136 | S | 41.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 94.9 | 94.4 | 52.3 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 137 | L | 43.4 | Very low | 36.9 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 47.9 | 168.2 | 130.2 | -64.2 | 174.7 | 0 | 0 | 0 | 121.2 | ||||
| 138 | P | 41 | Very low | 36.5 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | cis | -131.7 | -179.3 | -8.6 | 24 | 0.9 | 0 | 0 | 0 | 115.6 | ||||
| 139 | I | 38 | Very low | 36.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 154 | 168.1 | -59.5 | 152.8 | 0 | 0 | 0 | 111.7 | ||||
| 140 | P | 38.6 | Very low | 36.6 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -127.6 | 140 | 142.5 | 30.5 | -16.2 | 0 | 0 | 0 | 113.7 | ||||
| 141 | A | 32.2 | Very low | 36.9 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -92 | 146.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | Q | 39.5 | Very low | 37 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -138.8 | 104.1 | 162 | -67.7 | -171.6 | -12.1 | 0 | 0 | 107.8 | ||||
| 143 | H | 35 | Very low | 37.1 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | 80.2 | 113.4 | 87.2 | -102.8 | -113.7 | 0 | 0 | 0 | 114.2 | |||||
| 144 | C | 24.9 | Very low | 37.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -72.2 | 147 | 175.8 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 145 | V | 36.2 | Very low | 37.1 | Very low | 150 Ų | 150 | 149 Ų | 149 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 138.8 | 141.1 | -82 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 146 | S | 29.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 146.1 | -170.9 | 45 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 147 | S | 32.4 | Very low | 36.6 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -140.5 | 93.9 | 157.4 | -94.1 | 0 | 0 | 0 | 0 | 111.6 | K149 | S147-K149 PolarHBondContact O-N 3.46Š| ||
| 148 | T | 32.3 | Very low | 36.4 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -80.3 | 103 | 176 | -49.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 149 | K | 43.4 | Very low | 36.3 | Very low | 205 Ų | 205 | 149.6 Ų | 149.6 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -134.8 | 128.2 | 160.9 | -74.6 | -168 | 178.5 | 178.5 | 0 | 111.4 | S147 | S147-K149 PolarHBondContact O-N 3.46Š| ||
| 150 | Q | 35.9 | Very low | 36.2 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 140.8 | -175.1 | -60.4 | 146.6 | -31.1 | 0 | 0 | 111.6 | ||||
| 151 | S | 36.7 | Very low | 36 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -158.6 | 104 | 130.6 | -149.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 152 | R | 40.1 | Very low | 36.3 | Very low | 204 Ų | 204 | 154 Ų | 154 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | 34.7 | 95.3 | 140.6 | -153.6 | 172.2 | -66 | -138.5 | 0.5 | 118.4 | ||||
| 153 | I | 40.6 | Very low | 36.3 | Very low | 152 Ų | 152 | 152 Ų | 152 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 128.3 | 160.2 | -62.2 | 168 | 0 | 0 | 0 | 109 | R155 | I153-R155 HydrophobicContact CG2-CG 4.3Š|
| 154 | Y | 39.5 | Very low | 36.5 | Very low | 199 Ų | 199 | 152 Ų | 152 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 117.8 | 157.9 | -80.1 | -84 | 0 | 0 | 0 | 108.5 | ||
| 155 | R | 37.6 | Very low | 36.8 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 137.5 | 162.2 | -74.4 | -169.1 | -179 | 179.2 | 1.9 | 108.4 | I153 | I153-R155 HydrophobicContact CG2-CG 4.3Š|
| 156 | C | 35.9 | Very low | 37 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 128.8 | 157.6 | -71.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 157 | D | 36.6 | Very low | 37.6 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 131.2 | 164.5 | -86.1 | -41.9 | 0 | 0 | 0 | 110 | ||
| 158 | P | 38.3 | Very low | 38.1 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 125.9 | 160.2 | 34.2 | -24.9 | 0 | 0 | 0 | 110.5 | ||
| 159 | S | 38.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 150.7 | 96.5 | 139.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 160 | C | 36.3 | Very low | 38.2 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -77.7 | -175.8 | 147.8 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 161 | E | 34.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | 82 | 82.1 | 173.1 | -53.9 | -55.1 | 139.3 | 0 | 0 | 116.7 | ||||
| 162 | L | 38.3 | Very low | 38.8 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -154.3 | 64.3 | 152.8 | -112.7 | 159.3 | 0 | 0 | 0 | 110.8 | ||||
| 163 | I | 39 | Very low | 39 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -132.8 | 87.6 | 166.9 | -52.7 | 179.2 | 0 | 0 | 0 | 109.2 | ||||
| 164 | H | 39.1 | Very low | 39.3 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -131.5 | 105.8 | 162.7 | -99.1 | -97.9 | 0 | 0 | 0 | 109.8 | ||||
| 165 | S | 31.9 | Very low | 39.7 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 143.7 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 166 | S | 40.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -150.5 | 106.9 | 151.2 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 167 | L | 41.3 | Very low | 41.2 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -99 | 110 | 177.9 | -179 | 142.7 | 0 | 0 | 0 | 108.3 | ||||
| 168 | V | 43.2 | Very low | 42.1 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -137.6 | 96.4 | 171.1 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | T | 41.2 | Very low | 43.2 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | 28.7 | 109.7 | 131.9 | -37.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 170 | S | 38.1 | Very low | 44.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 28.6 | 114.7 | 133.2 | -42.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 171 | A | 42.7 | Very low | 46.7 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | -170.8 | 154.3 | 121.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 172 | A | 42.1 | Very low | 48.9 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 143.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 173 | G | 43.1 | Very low | 51.2 | Low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | 145.5 | 122.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 174 | E | 48 | Very low | 53.5 | Low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | 68.5 | 68 | 150.1 | -51.6 | -173.2 | 166.9 | 0 | 0 | 118.4 | K176 | E174-K176 PolarHBondContact O-N 2.98Š| ||
| 175 | E | 48.6 | Very low | 55.6 | Low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 27.1 | 168.2 | -64.1 | -172.4 | 133.4 | 0 | 0 | 115.4 | ||
| 176 | K | 48.7 | Very low | 58.4 | Low | 209 Ų | 209 | 126.4 Ų | 126.4 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 3.9 | -174.2 | -99.5 | -179.9 | 177.1 | 177.1 | 0 | 116.3 | E174 | E174-K176 PolarHBondContact O-N 2.98Š|
| 177 | S | 54.9 | Low | 60.8 | Low | 77 Ų | 77 | 125.7 Ų | 125.7 | 54% | 0.538 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -106.7 | -16.8 | -179.1 | -160.8 | 0 | 0 | 0 | 0 | 114.9 | H179 | S177-H179 PolarHBondContact O-N 2.94Š|
| 178 | Y | 55 | Low | 63.1 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 73% | 0.725 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.3 | -36.6 | -169.5 | -98.5 | -90.4 | 0 | 0 | 0 | 114.7 | D180 V181 D182 | Y178-D180 PolarHBondContact O-N 3.4Å; Y178-V181 PolarHBondContact O-N 3.45Å; Y178-D182 PolarHBondContact O-N 2.91Å |
| 179 | H | 61.5 | Low | 65.3 | Low | 163 Ų | 163 | 123.3 Ų | 123.3 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.7 | -30.7 | -175.1 | -127.9 | 25.8 | 0 | 0 | 0 | 113.9 | S177 Q183 | S177-H179 PolarHBondContact O-N 2.94Å; H179-Q183 WeakPolarHBondContact O-CB 3.49Å; H179-Q183 PolarHBondContact O-N 2.84Å; H179-Q183 VanDerWaalsContact O-N 3.08Å |
| 180 | D | 73.1 | Confident | 67.7 | Low | 115 Ų | 115 | 123.5 Ų | 123.5 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72 | -33.5 | 176.6 | -167.3 | 46.8 | 0 | 0 | 0 | 111.1 | Y178 Q183 Y184 | Y178-D180 PolarHBondContact O-N 3.4Å; D180-Q183 PolarHBondContact O-N 3.49Å; D180-Y184 VanDerWaalsContact O-CB 3.24Å; D180-Y184 WeakPolarHBondContact O-CB 3.35Å; D180-Y184 PolarHBondContact O-N 3.28Å |
| 181 | V | 76 | Confident | 70.2 | Confident | 70 Ų | 70 | 122.9 Ų | 122.9 | 42% | 0.424 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.3 | -43.8 | 174.4 | 178 | 0 | 0 | 0 | 0 | 111.3 | Y178 Y184 N185 | Y178-V181 PolarHBondContact O-N 3.45Å; V181-Y184 PolarHBondContact O-N 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.38Å; V181-N185 VanDerWaalsContact O-CG 3.25Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-ND2 2.92Å; V181-N185 VanDerWaalsContact O-ND2 3.08Å |
| 182 | D | 80.6 | Confident | 72.5 | Confident | 90 Ų | 90 | 120.3 Ų | 120.3 | 48% | 0.481 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 175.6 | -67.9 | -29.2 | 0 | 0 | 0 | 111.5 | Y178 N185 Q186 | Y178-D182 PolarHBondContact O-N 2.91Å; D182-N185 PolarHBondContact O-N 2.91Å; D182-Q186 WeakPolarHBondContact O-CB 3.41Å; D182-Q186 PolarHBondContact O-N 3.26Å |
| 183 | Q | 86.1 | Confident | 74.9 | Confident | 116 Ų | 116 | 121.7 Ų | 121.7 | 54% | 0.542 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 176.7 | -173.2 | 174.5 | -3.7 | 0 | 0 | 112.1 | H179 D180 Q186 L187 | H179-Q183 WeakPolarHBondContact O-CB 3.49Å; H179-Q183 PolarHBondContact O-N 2.84Å; H179-Q183 VanDerWaalsContact O-N 3.08Å; D180-Q183 PolarHBondContact O-N 3.49Å; Q183-Q186 PolarHBondContact O-N 3.15Å; Q183-L187 HydrophobicContact CG-CD1 4.1Å; Q183-L187 WeakPolarHBondContact O-CB 3.46Å; Q183-L187 WeakPolarHBondContact O-CG 3.13Å; Q183-L187 PolarHBondContact O-N 3.46Å |
| 184 | Y | 87 | Confident | 77.2 | Confident | 151 Ų | 151 | 124.2 Ų | 124.2 | 59% | 0.592 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -43.5 | 174.7 | 176.8 | -96.3 | 0 | 0 | 0 | 112.1 | D180 V181 L187 K188 | D180-Y184 VanDerWaalsContact O-CB 3.24Å; D180-Y184 WeakPolarHBondContact O-CB 3.35Å; D180-Y184 PolarHBondContact O-N 3.28Å; V181-Y184 PolarHBondContact O-N 3.41Å; Y184-L187 PolarHBondContact O-N 2.91Å; Y184-K188 HydrophobicContact CE1-CD 4.36Å; Y184-K188 VanDerWaalsContact O-CB 3.25Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.34Å |
| 185 | N | 85.2 | Confident | 79.3 | Confident | 66 Ų | 66 | 121.5 Ų | 121.5 | 35% | 0.353 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 175.8 | -71.6 | -35.7 | 0 | 0 | 0 | 111.2 | V181 D182 L187 K188 D189 | V181-N185 WeakPolarHBondContact O-CB 3.38Å; V181-N185 VanDerWaalsContact O-CG 3.25Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-ND2 2.92Å; V181-N185 VanDerWaalsContact O-ND2 3.08Å; D182-N185 PolarHBondContact O-N 2.91Å; N185-L187 PolarHBondContact O-N 3.4Å; N185-K188 WeakPolarHBondContact O-CB 3.43Å; N185-K188 PolarHBondContact O-N 2.96Å; N185-D189 PolarHBondContact O-N 3Å |
| 186 | Q | 89.1 | Confident | 81.4 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61 | -43 | 176 | -171.8 | 178.8 | 18.5 | 0 | 0 | 112.4 | D182 Q183 Q190 | D182-Q186 WeakPolarHBondContact O-CB 3.41Å; D182-Q186 PolarHBondContact O-N 3.26Å; Q183-Q186 PolarHBondContact O-N 3.15Å; Q186-Q190 WeakPolarHBondContact O-CB 2.97Å; Q186-Q190 PolarHBondContact O-N 3.49Å |
| 187 | L | 91 | Very high | 83.4 | Confident | 99 Ų | 99 | 111.1 Ų | 111.1 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.9 | -82.1 | 161.7 | 0 | 0 | 0 | 112.1 | Q183 Y184 N185 Q190 L191 | Q183-L187 HydrophobicContact CG-CD1 4.1Å; Q183-L187 WeakPolarHBondContact O-CB 3.46Å; Q183-L187 WeakPolarHBondContact O-CG 3.13Å; Q183-L187 PolarHBondContact O-N 3.46Å; Y184-L187 PolarHBondContact O-N 2.91Å; N185-L187 PolarHBondContact O-N 3.4Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.02Å |
| 188 | K | 89.1 | Confident | 85.2 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 52% | 0.522 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 177.6 | -178.5 | -173.3 | 174.5 | -165 | 0 | 111.8 | Y184 N185 L191 A192 | Y184-K188 HydrophobicContact CE1-CD 4.36Å; Y184-K188 VanDerWaalsContact O-CB 3.25Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.43Å; N185-K188 PolarHBondContact O-N 2.96Å; K188-L191 PolarHBondContact O-N 3.45Å; K188-A192 WeakPolarHBondContact O-CB 3.37Å; K188-A192 PolarHBondContact O-N 3.02Å |
| 189 | D | 89.8 | Confident | 86.9 | Confident | 112 Ų | 112 | 107.6 Ų | 107.6 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 176.7 | -69.5 | -14.7 | 0 | 0 | 0 | 111.3 | N185 L191 A192 Y193 | N185-D189 PolarHBondContact O-N 3Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.1Å; D189-A192 PolarHBondContact O-N 3.39Å; D189-Y193 WeakPolarHBondContact O-CB 3.44Å; D189-Y193 PolarHBondContact O-N 3.04Å |
| 190 | Q | 91.8 | Very high | 88.3 | Confident | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 173.3 | -177.6 | 175.3 | -22.4 | 0 | 0 | 112.1 | Q186 L187 Y193 Q194 | Q186-Q190 WeakPolarHBondContact O-CB 2.97Å; Q186-Q190 PolarHBondContact O-N 3.49Å; L187-Q190 PolarHBondContact O-N 3.47Å; Q190-Y193 PolarHBondContact O-N 2.87Å; Q190-Q194 WeakPolarHBondContact O-CG 3.31Å; Q190-Q194 PolarHBondContact O-N 3.4Å |
| 191 | L | 91.3 | Very high | 89.2 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 177.1 | -167.3 | 132.4 | 0 | 0 | 0 | 111.2 | L187 K188 D189 Y193 Q194 E195 | L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.02Å; K188-L191 PolarHBondContact O-N 3.45Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.1Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.11Å; L191-Q194 PolarHBondContact O-N 2.99Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; L191-E195 HydrophobicContact CD2-CG 4.28Å; L191-E195 WeakPolarHBondContact O-CG 3.4Å; L191-E195 PolarHBondContact O-N 3.46Å |
| 192 | A | 91.3 | Very high | 90 | Very high | 49 Ų | 49 | 106.2 Ų | 106.2 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K188 D189 E195 Q196 | K188-A192 WeakPolarHBondContact O-CB 3.37Å; K188-A192 PolarHBondContact O-N 3.02Å; D189-A192 PolarHBondContact O-N 3.39Å; A192-E195 PolarHBondContact O-N 3.12Å; A192-Q196 WeakPolarHBondContact O-CB 3.3Å; A192-Q196 PolarHBondContact O-N 3.26Å |
| 193 | Y | 92 | Very high | 90.5 | Very high | 140 Ų | 140 | 104.1 Ų | 104.1 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 172.9 | 177.9 | -94.9 | 0 | 0 | 0 | 111.9 | D189 Q190 L191 Q196 Q197 | D189-Y193 WeakPolarHBondContact O-CB 3.44Å; D189-Y193 PolarHBondContact O-N 3.04Å; Q190-Y193 PolarHBondContact O-N 2.87Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.11Å; Y193-Q196 PolarHBondContact O-N 3.42Å; Y193-Q197 HydrophobicContact CD1-CG 4.24Å; Y193-Q197 HydrophobicContact CE1-CG 3.84Å; Y193-Q197 HydrophobicContact CE2-CG 4.48Å; Y193-Q197 WeakPolarHBondContact O-CG 3.35Å; Y193-Q197 PolarHBondContact O-N 2.79Å; Y193-Q197 PolarHBondContact OH-NE2 3.48Å |
| 194 | Q | 91.7 | Very high | 90.8 | Very high | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -40.2 | 177.8 | -71.9 | -154 | -2.4 | 0 | 0 | 112.8 | Q190 L191 Q196 Q197 V198 | Q190-Q194 WeakPolarHBondContact O-CG 3.31Å; Q190-Q194 PolarHBondContact O-N 3.4Å; L191-Q194 PolarHBondContact O-N 2.99Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; Q194-Q196 VanDerWaalsContact C-N 3.33Å; Q194-Q196 PolarHBondContact O-N 2.86Å; Q194-Q197 PolarHBondContact O-N 2.91Å; Q194-V198 WeakPolarHBondContact O-CG2 3.31Å; Q194-V198 PolarHBondContact O-N 2.81Å |
| 195 | E | 91.7 | Very high | 91 | Very high | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -44.2 | 173.5 | -72.3 | -177.9 | 157.5 | 0 | 0 | 111.3 | L191 A192 Q197 V198 E199 | L191-E195 HydrophobicContact CD2-CG 4.28Å; L191-E195 WeakPolarHBondContact O-CG 3.4Å; L191-E195 PolarHBondContact O-N 3.46Å; A192-E195 PolarHBondContact O-N 3.12Å; E195-Q197 PolarHBondContact O-N 2.94Å; E195-V198 PolarHBondContact O-N 3.22Å; E195-E199 PolarHBondContact O-N 3.04Å |
| 196 | Q | 93.2 | Very high | 91.4 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 175 | -170.6 | -175 | 18 | 0 | 0 | 112.4 | A192 Y193 Q194 E199 L200 | A192-Q196 WeakPolarHBondContact O-CB 3.3Å; A192-Q196 PolarHBondContact O-N 3.26Å; Y193-Q196 PolarHBondContact O-N 3.42Å; Q194-Q196 VanDerWaalsContact C-N 3.33Å; Q194-Q196 PolarHBondContact O-N 2.86Å; Q196-E199 PolarHBondContact O-N 2.96Å; Q196-L200 HydrophobicContact CG-CD1 4.33Å; Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 WeakPolarHBondContact O-CG 3.41Å; Q196-L200 PolarHBondContact O-N 3.13Å |
| 197 | Q | 90.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 32% | 0.318 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.2 | -68.4 | -61.5 | -24.5 | 0 | 0 | 112.3 | Y193 Q194 E195 N201 | Y193-Q197 HydrophobicContact CD1-CG 4.24Å; Y193-Q197 HydrophobicContact CE1-CG 3.84Å; Y193-Q197 HydrophobicContact CE2-CG 4.48Å; Y193-Q197 WeakPolarHBondContact O-CG 3.35Å; Y193-Q197 PolarHBondContact O-N 2.79Å; Y193-Q197 PolarHBondContact OH-NE2 3.48Å; Q194-Q197 PolarHBondContact O-N 2.91Å; E195-Q197 PolarHBondContact O-N 2.94Å; Q197-N201 WeakPolarHBondContact O-CB 3.46Å; Q197-N201 PolarHBondContact O-N 3.04Å; Q197-N201 PolarHBondContact O-ND2 3.2Å |
| 198 | V | 91.9 | Very high | 91.6 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | Q194 E195 N201 R202 | Q194-V198 WeakPolarHBondContact O-CG2 3.31Å; Q194-V198 PolarHBondContact O-N 2.81Å; E195-V198 PolarHBondContact O-N 3.22Å; V198-N201 PolarHBondContact O-N 3.32Å; V198-R202 WeakPolarHBondContact O-CB 3.4Å; V198-R202 PolarHBondContact O-N 3.1Å |
| 199 | E | 92 | Very high | 91.7 | Very high | 90 Ų | 90 | 103.2 Ų | 103.2 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 178.1 | -170.2 | 55.9 | -149.9 | 0 | 0 | 112.4 | E195 Q196 N201 R202 I203 | E195-E199 PolarHBondContact O-N 3.04Å; Q196-E199 PolarHBondContact O-N 2.96Å; E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.3Å; E199-R202 WeakPolarHBondContact O-CB 3.49Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 WeakPolarHBondContact OE2-CD 3.27Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.31Å; E199-I203 WeakPolarHBondContact O-CG1 3.33Å; E199-I203 PolarHBondContact O-N 3.45Å |
| 200 | L | 90.2 | Very high | 91.7 | Very high | 88 Ų | 88 | 105.3 Ų | 105.3 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 171.4 | -78.9 | 167.5 | 0 | 0 | 0 | 112 | Q196 I203 R204 | Q196-L200 HydrophobicContact CG-CD1 4.33Å; Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 WeakPolarHBondContact O-CG 3.41Å; Q196-L200 PolarHBondContact O-N 3.13Å; L200-I203 PolarHBondContact O-N 3.2Å; L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å |
| 201 | N | 91.3 | Very high | 91.7 | Very high | 81 Ų | 81 | 105 Ų | 105 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 175.2 | -76.2 | -48.4 | 0 | 0 | 0 | 112 | Q197 V198 E199 R204 L205 | Q197-N201 WeakPolarHBondContact O-CB 3.46Å; Q197-N201 PolarHBondContact O-N 3.04Å; Q197-N201 PolarHBondContact O-ND2 3.2Å; V198-N201 PolarHBondContact O-N 3.32Å; E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.3Å; N201-R204 PolarHBondContact O-N 2.84Å; N201-L205 WeakPolarHBondContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3.25Å |
| 202 | R | 93.3 | Very high | 91.6 | Very high | 150 Ų | 150 | 104.3 Ų | 104.3 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -47.3 | 172.9 | -174.7 | -165 | 176.7 | 94.1 | 1.4 | 111.5 | V198 E199 R204 L205 L206 | V198-R202 WeakPolarHBondContact O-CB 3.4Å; V198-R202 PolarHBondContact O-N 3.1Å; E199-R202 WeakPolarHBondContact O-CB 3.49Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 WeakPolarHBondContact OE2-CD 3.27Å; R202-R204 VanDerWaalsContact C-N 3.33Å; R202-R204 PolarHBondContact O-N 2.88Å; R202-L205 PolarHBondContact O-N 2.99Å; R202-L206 HydrophobicContact CG-CD1 4.24Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 2.93Å |
| 203 | I | 91.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 105.1 Ų | 105.1 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.3 | -68.5 | 166.2 | 0 | 0 | 0 | 110.9 | F86 E199 L200 L206 R207 | F86-I203 HydrophobicContact CD2-CG2 3.78Å; F86-I203 HydrophobicContact CE2-CG2 3.37Å; F86-I203 HydrophobicContact CZ-CG2 3.87Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.31Å; E199-I203 WeakPolarHBondContact O-CG1 3.33Å; E199-I203 PolarHBondContact O-N 3.45Å; L200-I203 PolarHBondContact O-N 3.2Å; I203-L206 PolarHBondContact O-N 2.97Å; I203-R207 PolarHBondContact O-N 3.3Å |
| 204 | R | 92.2 | Very high | 91.1 | Very high | 171 Ų | 171 | 104 Ų | 104 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 176.5 | -171.9 | 179 | -178.6 | -169.4 | 0.3 | 111.9 | L200 N201 R202 R207 L208 | L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å; N201-R204 PolarHBondContact O-N 2.84Å; R202-R204 VanDerWaalsContact C-N 3.33Å; R202-R204 PolarHBondContact O-N 2.88Å; R204-R207 WeakPolarHBondContact O-CB 3.49Å; R204-R207 PolarHBondContact O-N 3.42Å; R204-L208 HydrophobicContact CG-CD1 4.45Å; R204-L208 WeakPolarHBondContact O-CG 3.36Å; R204-L208 PolarHBondContact O-N 2.92Å |
| 205 | L | 92 | Very high | 90.6 | Very high | 117 Ų | 117 | 103 Ų | 103 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 174.2 | -78.3 | 161.9 | 0 | 0 | 0 | 111.4 | N201 R202 R207 L208 D209 | N201-L205 WeakPolarHBondContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3.25Å; R202-L205 PolarHBondContact O-N 2.99Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 2.97Å; L205-L208 PolarHBondContact O-N 3.4Å; L205-D209 WeakPolarHBondContact O-CB 3.5Å; L205-D209 PolarHBondContact O-N 3.46Å |
| 206 | L | 93 | Very high | 90.2 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -28.9 | 175.6 | -74.9 | 168.5 | 0 | 0 | 0 | 113.6 | R202 I203 K210 | R202-L206 HydrophobicContact CG-CD1 4.24Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 2.93Å; I203-L206 PolarHBondContact O-N 2.97Å; L206-K210 VanDerWaalsContact O-CG 3.32Å; L206-K210 WeakPolarHBondContact O-CG 3.46Å; L206-K210 PolarHBondContact O-N 3.26Å |
| 207 | R | 92.7 | Very high | 89.6 | Confident | 128 Ų | 128 | 101.4 Ų | 101.4 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.9 | -48 | 171.9 | -177.5 | 179.9 | -67.6 | 177.7 | -0.1 | 111 | I203 R204 L205 D209 K210 E211 | I203-R207 PolarHBondContact O-N 3.3Å; R204-R207 WeakPolarHBondContact O-CB 3.49Å; R204-R207 PolarHBondContact O-N 3.42Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 2.97Å; R207-D209 VanDerWaalsContact C-N 3.32Å; R207-D209 PolarHBondContact O-N 2.92Å; R207-K210 PolarHBondContact O-N 3.42Å; R207-E211 PolarHBondContact O-N 3.49Å |
| 208 | L | 91.3 | Very high | 89 | Confident | 77 Ų | 77 | 101 Ų | 101 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.1 | -68.4 | 169.8 | 0 | 0 | 0 | 111.6 | R204 L205 K210 E211 I212 | R204-L208 HydrophobicContact CG-CD1 4.45Å; R204-L208 WeakPolarHBondContact O-CG 3.36Å; R204-L208 PolarHBondContact O-N 2.92Å; L205-L208 PolarHBondContact O-N 3.4Å; L208-K210 PolarHBondContact O-N 3.05Å; L208-E211 WeakPolarHBondContact O-CB 3.41Å; L208-E211 PolarHBondContact O-N 2.89Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.32Å |
| 209 | D | 92.3 | Very high | 88.3 | Confident | 88 Ų | 88 | 100.3 Ų | 100.3 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.5 | -170 | 63.9 | 0 | 0 | 0 | 112 | L205 R207 N213 | L205-D209 WeakPolarHBondContact O-CB 3.5Å; L205-D209 PolarHBondContact O-N 3.46Å; R207-D209 VanDerWaalsContact C-N 3.32Å; R207-D209 PolarHBondContact O-N 2.92Å; D209-N213 WeakPolarHBondContact O-CB 3.27Å; D209-N213 PolarHBondContact O-N 3.43Å; D209-N213 PolarHBondContact O-ND2 3.47Å |
| 210 | K | 89.3 | Confident | 87.3 | Confident | 155 Ų | 155 | 105.5 Ų | 105.5 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 171.1 | -75.7 | 175.5 | 179.8 | -175.9 | 0 | 112.8 | L206 R207 L208 N213 H214 | L206-K210 VanDerWaalsContact O-CG 3.32Å; L206-K210 WeakPolarHBondContact O-CG 3.46Å; L206-K210 PolarHBondContact O-N 3.26Å; R207-K210 PolarHBondContact O-N 3.42Å; L208-K210 PolarHBondContact O-N 3.05Å; K210-N213 PolarHBondContact O-N 2.9Å; K210-H214 WeakPolarHBondContact O-CB 3.32Å; K210-H214 PolarHBondContact O-N 3.41Å |
| 211 | E | 91.8 | Very high | 85.8 | Confident | 104 Ų | 104 | 109.5 Ų | 109.5 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 177.8 | -173.6 | 171.7 | -173.2 | 0 | 0 | 111.1 | R207 L208 H214 L215 | R207-E211 PolarHBondContact O-N 3.49Å; L208-E211 WeakPolarHBondContact O-CB 3.41Å; L208-E211 PolarHBondContact O-N 2.89Å; E211-H214 PolarHBondContact O-N 2.98Å; E211-L215 HydrophobicContact CG-CD1 4.27Å; E211-L215 WeakPolarHBondContact O-CB 3.27Å; E211-L215 VanDerWaalsContact O-CG 3.29Å; E211-L215 WeakPolarHBondContact O-CG 3.44Å; E211-L215 PolarHBondContact O-N 3.34Å |
| 212 | I | 88 | Confident | 84 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 46% | 0.456 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 171.9 | -68.1 | 163.5 | 0 | 0 | 0 | 110.3 | L208 H214 L215 E216 | L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.32Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.04Å; I212-L215 PolarHBondContact O-N 2.85Å; I212-E216 HydrophobicContact CG2-CG 4.29Å; I212-E216 WeakPolarHBondContact O-CB 3.21Å; I212-E216 WeakPolarHBondContact O-CG 3.5Å; I212-E216 PolarHBondContact O-N 3.31Å |
| 213 | N | 86.7 | Confident | 81.9 | Confident | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 176.8 | -86.4 | -80.3 | 0 | 0 | 0 | 112.7 | D209 K210 Q217 | D209-N213 WeakPolarHBondContact O-CB 3.27Å; D209-N213 PolarHBondContact O-N 3.43Å; D209-N213 PolarHBondContact O-ND2 3.47Å; K210-N213 PolarHBondContact O-N 2.9Å; N213-Q217 WeakPolarHBondContact O-CB 3.36Å; N213-Q217 WeakPolarHBondContact O-CG 3.44Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 3.35Å |
| 214 | H | 87.3 | Confident | 79.7 | Confident | 118 Ų | 118 | 109.9 Ų | 109.9 | 55% | 0.546 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.1 | -43.9 | 176.4 | 178.7 | -79 | 0 | 0 | 0 | 112.3 | K210 E211 I212 Q217 S218 | K210-H214 WeakPolarHBondContact O-CB 3.32Å; K210-H214 PolarHBondContact O-N 3.41Å; E211-H214 PolarHBondContact O-N 2.98Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.04Å; H214-Q217 PolarHBondContact O-N 3.44Å; H214-S218 PolarHBondContact CE1-OG 3.1Å; H214-S218 WeakPolarHBondContact O-CB 3.39Å; H214-S218 PolarHBondContact O-N 2.95Å; H214-S218 PolarHBondContact O-OG 2.99Å |
| 215 | L | 81.2 | Confident | 77.5 | Confident | 97 Ų | 97 | 109.7 Ų | 109.7 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -41.5 | 176.9 | -70.3 | 169.3 | 0 | 0 | 0 | 111.3 | E211 I212 S218 A219 | E211-L215 HydrophobicContact CG-CD1 4.27Å; E211-L215 WeakPolarHBondContact O-CB 3.27Å; E211-L215 VanDerWaalsContact O-CG 3.29Å; E211-L215 WeakPolarHBondContact O-CG 3.44Å; E211-L215 PolarHBondContact O-N 3.34Å; I212-L215 PolarHBondContact O-N 2.85Å; L215-S218 PolarHBondContact O-N 2.95Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.3Å |
| 216 | E | 82.8 | Confident | 75.4 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -41.5 | 174.2 | -74.5 | -167.6 | 177.3 | 0 | 0 | 112.6 | I212 A219 R220 | I212-E216 HydrophobicContact CG2-CG 4.29Å; I212-E216 WeakPolarHBondContact O-CB 3.21Å; I212-E216 WeakPolarHBondContact O-CG 3.5Å; I212-E216 PolarHBondContact O-N 3.31Å; E216-A219 PolarHBondContact O-N 3.13Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.27Å |
| 217 | Q | 79.9 | Confident | 73.1 | Confident | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -45 | 175.2 | -74.8 | 170.6 | 39.6 | 0 | 0 | 111 | N213 H214 A219 R220 F221 | N213-Q217 WeakPolarHBondContact O-CB 3.36Å; N213-Q217 WeakPolarHBondContact O-CG 3.44Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 3.35Å; H214-Q217 PolarHBondContact O-N 3.44Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 2.94Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-R220 VanDerWaalsContact O-N 3.16Å; Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.86Å |
| 218 | S | 79.8 | Confident | 71.1 | Confident | 60 Ų | 60 | 114.4 Ų | 114.4 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61 | -41.8 | 176.9 | -64 | 0 | 0 | 0 | 0 | 111.7 | H214 L215 R220 G222 | H214-S218 PolarHBondContact CE1-OG 3.1Å; H214-S218 WeakPolarHBondContact O-CB 3.39Å; H214-S218 PolarHBondContact O-N 2.95Å; H214-S218 PolarHBondContact O-OG 2.99Å; L215-S218 PolarHBondContact O-N 2.95Å; S218-R220 PolarHBondContact O-N 3.05Å; S218-G222 PolarHBondContact O-N 3.06Å |
| 219 | A | 76.4 | Confident | 68.9 | Low | 83 Ų | 83 | 118.4 Ų | 118.4 | 69% | 0.686 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.1 | -33.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L215 E216 Q217 | L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.3Å; E216-A219 PolarHBondContact O-N 3.13Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 2.94Å |
| 220 | R | 70 | Confident | 67.1 | Low | 199 Ų | 199 | 119.9 Ų | 119.9 | 75% | 0.751 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.3 | -33 | 178.7 | -74 | 177.2 | -172.5 | -134.8 | 6.9 | 113.9 | E216 Q217 S218 | E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.27Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-R220 VanDerWaalsContact O-N 3.16Å; S218-R220 PolarHBondContact O-N 3.05Å |
| 221 | F | 59 | Low | 65.1 | Low | 173 Ų | 173 | 119.7 Ų | 119.7 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -95.8 | -20.4 | -178.9 | -73.1 | -74.9 | 0 | 0 | 0 | 114 | Q217 G223 | Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.86Å; F221-G223 PolarHBondContact O-N 3.12Å; F221-G223 VanDerWaalsContact O-N 3.11Å |
| 222 | G | 53.3 | Low | 63.2 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S218 | S218-G222 PolarHBondContact O-N 3.06Š|
| 223 | G | 49.1 | Very low | 61.3 | Low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | F221 | F221-G223 PolarHBondContact O-N 3.12Å; F221-G223 VanDerWaalsContact O-N 3.11Å |
| 224 | N | 44.8 | Very low | 59.5 | Low | 149 Ų | 149 | 128.6 Ų | 128.6 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -138.3 | 68.9 | -162.4 | -131.7 | 45.9 | 0 | 0 | 0 | 113.1 | ||||
| 225 | N | 46.8 | Very low | 57.8 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | -151.5 | 61.8 | 167.6 | -96.2 | -24.4 | 0 | 0 | 0 | 111 | ||||
| 226 | N | 48.2 | Very low | 55.9 | Low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -112.3 | 141.4 | 160.2 | -72.8 | -37.1 | 0 | 0 | 0 | 107.8 | ||||
| 227 | N | 45 | Very low | 54.2 | Low | 162 Ų | 162 | 131.4 Ų | 131.4 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 82.8 | 178.8 | -49.7 | -15.9 | 0 | 0 | 0 | 116.5 | ||||
| 228 | S | 50.6 | Low | 52.7 | Low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -142.5 | 89.4 | 142.6 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | S230 | S228-S230 PolarHBondContact O-N 3.15Š| ||
| 229 | D | 45.3 | Very low | 50.9 | Low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 126.2 | 168.7 | -73.4 | -53.2 | 0 | 0 | 0 | 110.2 | ||||
| 230 | S | 53.4 | Low | 49.7 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -160.5 | 107 | 155.9 | -83.5 | 0 | 0 | 0 | 0 | 110.4 | S228 N232 | S228-S230 PolarHBondContact O-N 3.15Å; S230-N232 PolarHBondContact O-N 2.78Å | ||
| 231 | N | 48.3 | Very low | 48.8 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -48.6 | 129.4 | 161.2 | -80.5 | -46.7 | 0 | 0 | 0 | 110.4 | ||||
| 232 | N | 51.3 | Low | 48 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | -160.5 | 141.7 | 118.2 | -101 | -38.1 | 0 | 0 | 0 | 112.7 | S230 | S230-N232 PolarHBondContact O-N 2.78Š| |||
| 233 | N | 49.1 | Very low | 47.9 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -82 | 166.1 | 177.9 | -65.6 | -64.4 | 0 | 0 | 0 | 111.3 | ||||
| 234 | N | 48.8 | Very low | 47.8 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 75.6 | 143 | 176.6 | -59.6 | -32 | 0 | 0 | 0 | 115.7 | ||||
| 235 | K | 50.6 | Low | 47.7 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | cis | -169.5 | 154.5 | -27 | -142.9 | -178.9 | 164 | -175.5 | 0 | 106.5 | ||||
| 236 | D | 42.5 | Very low | 47.6 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 61.1 | 100.2 | 160.1 | -48.4 | -39.7 | 0 | 0 | 0 | 117.3 | ||||
| 237 | G | 46.8 | Very low | 47.8 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 179.8 | 74.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 238 | Y | 46.9 | Very low | 48.1 | Very low | 228 Ų | 228 | 136.4 Ų | 136.4 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | 34.5 | 92.7 | 159.3 | -59.1 | -84.5 | 0 | 0 | 0 | 118.6 | ||||
| 239 | S | 43.9 | Very low | 48.7 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -82.6 | 120.7 | 162.4 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 240 | T | 51.2 | Low | 50 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -117.4 | 10.6 | -178 | -58.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 241 | L | 49.5 | Very low | 51.2 | Low | 149 Ų | 149 | 126.1 Ų | 126.1 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -138.7 | 49.3 | -160.4 | -138.1 | 169.3 | 0 | 0 | 0 | 114.5 | ||||
| 242 | D | 42.7 | Very low | 52.6 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -141.4 | 43.2 | 177.7 | -87 | -49.4 | 0 | 0 | 0 | 113.7 | ||||
| 243 | L | 50.8 | Low | 53.8 | Low | 175 Ų | 175 | 119.1 Ų | 119.1 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | trans | -125 | 10.9 | 176.8 | -80.8 | 173.9 | 0 | 0 | 0 | 115.5 | ||||
| 244 | L | 48.3 | Very low | 55.4 | Low | 172 Ų | 172 | 117.8 Ų | 117.8 | 90% | 0.901 | 70% | 0.701 | S | S | * | * | trans | -104.8 | 47.6 | 171.6 | -68.2 | 176.5 | 0 | 0 | 0 | 112.1 | G246 | L244-G246 PolarHBondContact O-N 3.43Š| ||
| 245 | S | 40.8 | Very low | 56.9 | Low | 126 Ų | 126 | 116 Ų | 116 | 88% | 0.881 | 69% | 0.69 | S | S | * | * | trans | -88.9 | 45.4 | 168 | -146.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 246 | G | 46.3 | Very low | 58.5 | Low | 60 Ų | 60 | 111 Ų | 111 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -81.5 | 121.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | L244 A248 | L244-G246 PolarHBondContact O-N 3.43Å; G246-A248 PolarHBondContact O-N 3.49Å |
| 247 | S | 51.4 | Low | 60.4 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -35.9 | 106.9 | -172.1 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | V249 | S247-V249 PolarHBondContact O-N 3.09Š| ||
| 248 | A | 51.8 | Low | 62.1 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | trans | -71.6 | 81.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G246 G250 | G246-A248 PolarHBondContact O-N 3.49Å; A248-G250 VanDerWaalsContact C-N 3.31Å; A248-G250 PolarHBondContact O-N 2.87Å | ||
| 249 | V | 62.7 | Low | 63.9 | Low | 52 Ų | 52 | 104 Ų | 104 | 32% | 0.315 | 65% | 0.65 | S | S | . | * | trans | -56.5 | 100.1 | 165.4 | 178.8 | 0 | 0 | 0 | 0 | 105.3 | S247 A253 E254 | S247-V249 PolarHBondContact O-N 3.09Å; V249-A253 HydrophobicContact CG1-CB 3.44Å; V249-A253 VanDerWaalsContact CG1-CB 3.44Å; V249-E254 HydrophobicContact CB-CG 4.19Å; V249-E254 HydrophobicContact CG1-CG 3.75Å; V249-E254 WeakPolarHBondContact O-CG 3.35Å | ||
| 250 | G | 72.1 | Confident | 65.9 | Low | 35 Ų | 35 | 103 Ų | 103 | 36% | 0.361 | 65% | 0.648 | S | S | . | * | trans | -58.2 | 156.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A248 V252 A253 E254 | A248-G250 VanDerWaalsContact C-N 3.31Å; A248-G250 PolarHBondContact O-N 2.87Å; G250-V252 PolarHBondContact O-N 3.2Å; G250-A253 WeakPolarHBondContact O-CA 3.24Å; G250-A253 WeakPolarHBondContact O-CB 3.46Å; G250-A253 PolarHBondContact O-N 3.43Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.17Å | ||
| 251 | P | 79.1 | Confident | 67.6 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.5 | -32.4 | -172.2 | -30.2 | 35.4 | 0 | 0 | 0 | 114.6 | E254 L255 | P251-E254 PolarHBondContact O-N 2.91Å; P251-L255 WeakPolarHBondContact O-CB 3.4Å; P251-L255 WeakPolarHBondContact O-CG 3.1Å; P251-L255 PolarHBondContact O-N 3.33Å |
| 252 | V | 77.2 | Confident | 69.6 | Low | 121 Ų | 121 | 95.8 Ų | 95.8 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.4 | -40.5 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | G250 A256 | G250-V252 PolarHBondContact O-N 3.2Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 2.9Å |
| 253 | A | 78 | Confident | 71.9 | Confident | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77.4 | -31.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V249 G250 A256 Q257 | V249-A253 HydrophobicContact CG1-CB 3.44Å; V249-A253 VanDerWaalsContact CG1-CB 3.44Å; G250-A253 WeakPolarHBondContact O-CA 3.24Å; G250-A253 WeakPolarHBondContact O-CB 3.46Å; G250-A253 PolarHBondContact O-N 3.43Å; A253-A256 PolarHBondContact O-N 3.21Å; A253-Q257 WeakPolarHBondContact O-CG 3.48Å; A253-Q257 PolarHBondContact O-N 3Å |
| 254 | E | 81.2 | Confident | 73.8 | Confident | 108 Ų | 108 | 90.8 Ų | 90.8 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -47 | 168 | -63.1 | -173.1 | 148.6 | 0 | 0 | 110.7 | V249 G250 P251 A256 Q257 L258 | V249-E254 HydrophobicContact CB-CG 4.19Å; V249-E254 HydrophobicContact CG1-CG 3.75Å; V249-E254 WeakPolarHBondContact O-CG 3.35Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.17Å; P251-E254 PolarHBondContact O-N 2.91Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; E254-Q257 PolarHBondContact O-N 3.43Å; E254-Q257 VanDerWaalsContact O-N 3.15Å; E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 3.21Å |
| 255 | L | 81.8 | Confident | 75.9 | Confident | 114 Ų | 114 | 88.8 Ų | 88.8 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.3 | -38.7 | 174.6 | -73.2 | 169.9 | 0 | 0 | 0 | 112.2 | P251 L258 A259 | P251-L255 WeakPolarHBondContact O-CB 3.4Å; P251-L255 WeakPolarHBondContact O-CG 3.1Å; P251-L255 PolarHBondContact O-N 3.33Å; L255-L258 PolarHBondContact O-N 3.03Å; L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.26Å |
| 256 | A | 83.1 | Confident | 78.3 | Confident | 59 Ų | 59 | 87.1 Ų | 87.1 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V252 A253 E254 A259 A260 | V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 2.9Å; A253-A256 PolarHBondContact O-N 3.21Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; A256-A259 PolarHBondContact O-N 2.64Å; A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.4Å; A256-A260 PolarHBondContact O-N 3.05Å |
| 257 | Q | 82.7 | Confident | 80.5 | Confident | 115 Ų | 115 | 88.6 Ų | 88.6 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.4 | -72.1 | 176.6 | 30.1 | 0 | 0 | 111.9 | A253 E254 A259 A260 T261 | A253-Q257 WeakPolarHBondContact O-CG 3.48Å; A253-Q257 PolarHBondContact O-N 3Å; E254-Q257 PolarHBondContact O-N 3.43Å; E254-Q257 VanDerWaalsContact O-N 3.15Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 2.76Å; Q257-A260 PolarHBondContact O-N 2.68Å; Q257-T261 PolarHBondContact O-N 2.83Å; Q257-T261 PolarHBondContact O-OG1 2.82Å |
| 258 | L | 82.9 | Confident | 82.5 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.8 | -68.1 | 170.3 | 0 | 0 | 0 | 111.2 | E254 L255 T261 W263 | E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 3.21Å; L255-L258 PolarHBondContact O-N 3.03Å; L258-T261 PolarHBondContact O-N 3.34Å; L258-W263 HydrophobicContact CB-CZ2 4.45Å; L258-W263 HydrophobicContact CD2-CH2 4.11Å; L258-W263 HydrophobicContact CD2-CZ2 3.74Å; L258-W263 PolarHBondContact O-NE1 2.82Å |
| 259 | A | 84.1 | Confident | 84.4 | Confident | 87 Ų | 87 | 86.1 Ų | 86.1 | 72% | 0.719 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -33.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L255 A256 Q257 | L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.26Å; A256-A259 PolarHBondContact O-N 2.64Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 2.76Å |
| 260 | A | 85.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80 | -13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A256 Q257 | A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.4Å; A256-A260 PolarHBondContact O-N 3.05Å; Q257-A260 PolarHBondContact O-N 2.68Å |
| 261 | T | 87.2 | Confident | 87 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 29% | 0.294 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -69.3 | 129.5 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | Q257 L258 W263 | Q257-T261 PolarHBondContact O-N 2.83Å; Q257-T261 PolarHBondContact O-OG1 2.82Å; L258-T261 PolarHBondContact O-N 3.34Å; T261-W263 HydrophobicContact CG2-CD2 4.07Å; T261-W263 HydrophobicContact CG2-CE3 4.38Å; T261-W263 HydrophobicContact CG2-CH2 4.36Å; T261-W263 HydrophobicContact CG2-CZ2 4.03Å; T261-W263 PolarHBondContact O-N 3.48Å |
| 262 | P | 91 | Very high | 87.8 | Confident | 83 Ų | 83 | 89.7 Ų | 89.7 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | trans | -76.9 | 70.7 | -179 | 31.9 | -36.2 | 0 | 0 | 0 | 111.6 | S264 Q265 L266 | P262-S264 PolarHBondContact O-N 3.4Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-Q265 HydrophobicContact CB-CB 4.38Å; P262-Q265 PolarHBondContact O-N 2.96Å; P262-L266 PolarHBondContact O-N 3.33Å; P262-L266 VanDerWaalsContact O-N 3.11Å | ||
| 263 | W | 91 | Very high | 88.6 | Confident | 125 Ų | 125 | 92 Ų | 92 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -51.8 | -38 | -174.6 | -67.8 | 104.8 | 0 | 0 | 0 | 113.9 | L258 T261 Q265 L266 L267 | L258-W263 HydrophobicContact CB-CZ2 4.45Å; L258-W263 HydrophobicContact CD2-CH2 4.11Å; L258-W263 HydrophobicContact CD2-CZ2 3.74Å; L258-W263 PolarHBondContact O-NE1 2.82Å; T261-W263 HydrophobicContact CG2-CD2 4.07Å; T261-W263 HydrophobicContact CG2-CE3 4.38Å; T261-W263 HydrophobicContact CG2-CH2 4.36Å; T261-W263 HydrophobicContact CG2-CZ2 4.03Å; T261-W263 PolarHBondContact O-N 3.48Å; W263-Q265 PolarHBondContact O-N 2.93Å; W263-L266 HydrophobicContact CE3-CD2 4.05Å; W263-L266 HydrophobicContact CZ3-CD2 3.91Å; W263-L266 PolarHBondContact O-N 3.39Å; W263-L267 VanDerWaalsContact O-CB 3.31Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 WeakPolarHBondContact O-CG 3.4Å; W263-L267 PolarHBondContact O-N 3.15Å |
| 264 | S | 91.3 | Very high | 89.4 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.5 | -48.1 | 176.8 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | P262 L267 D268 | P262-S264 PolarHBondContact O-N 3.4Å; P262-S264 VanDerWaalsContact O-N 3.12Å; S264-L267 PolarHBondContact O-N 2.88Å; S264-D268 WeakPolarHBondContact O-CB 3.37Å; S264-D268 VanDerWaalsContact O-CG 3.31Å; S264-D268 PolarHBondContact O-N 3.23Å |
| 265 | Q | 92.5 | Very high | 90.1 | Very high | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -36.5 | 178.7 | -172.6 | 179 | 2 | 0 | 0 | 111.8 | P262 W263 D268 T269 | P262-Q265 HydrophobicContact CB-CB 4.38Å; P262-Q265 PolarHBondContact O-N 2.96Å; W263-Q265 PolarHBondContact O-N 2.93Å; Q265-D268 PolarHBondContact O-N 3.47Å; Q265-T269 WeakPolarHBondContact O-CB 3.44Å; Q265-T269 WeakPolarHBondContact O-CG2 3.21Å; Q265-T269 PolarHBondContact O-N 3.2Å; Q265-T269 PolarHBondContact O-OG1 2.83Å |
| 266 | L | 91.4 | Very high | 90.8 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.4 | -171.1 | 64.4 | 0 | 0 | 0 | 111.8 | P262 W263 T269 N270 | P262-L266 PolarHBondContact O-N 3.33Å; P262-L266 VanDerWaalsContact O-N 3.11Å; W263-L266 HydrophobicContact CE3-CD2 4.05Å; W263-L266 HydrophobicContact CZ3-CD2 3.91Å; W263-L266 PolarHBondContact O-N 3.39Å; L266-T269 WeakPolarHBondContact CA-OG1 3.41Å; L266-T269 PolarHBondContact O-OG1 3.49Å; L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.43Å; L266-N270 PolarHBondContact O-N 2.72Å |
| 267 | L | 91.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 173.7 | -71.5 | 168.1 | 0 | 0 | 0 | 111.6 | W263 S264 N270 R271 | W263-L267 VanDerWaalsContact O-CB 3.31Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 WeakPolarHBondContact O-CG 3.4Å; W263-L267 PolarHBondContact O-N 3.15Å; S264-L267 PolarHBondContact O-N 2.88Å; L267-N270 PolarHBondContact O-N 2.99Å; L267-R271 WeakPolarHBondContact O-CB 3.39Å; L267-R271 VanDerWaalsContact O-CG 3.27Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.27Å |
| 268 | D | 93.7 | Very high | 92 | Very high | 81 Ų | 81 | 100.4 Ų | 100.4 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 177.3 | -74.2 | -31.2 | 0 | 0 | 0 | 113.1 | S264 Q265 R271 A272 | S264-D268 WeakPolarHBondContact O-CB 3.37Å; S264-D268 VanDerWaalsContact O-CG 3.31Å; S264-D268 PolarHBondContact O-N 3.23Å; Q265-D268 PolarHBondContact O-N 3.47Å; D268-R271 PolarHBondContact O-N 3.33Å; D268-R271 IonicContact OD1-CZ 3.58Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.57Å; D268-R271 PolarHBondContact OD1-NE 2.93Å; D268-R271 VanDerWaalsContact OD1-NE 3.1Å; D268-R271 IonicContact OD1-NH2 2.81Å; D268-R271 PolarHBondContact OD1-NH2 2.93Å; D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.24Å |
| 269 | T | 92.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 172.4 | 50 | 0 | 0 | 0 | 0 | 112 | Q265 L266 A272 R273 | Q265-T269 WeakPolarHBondContact O-CB 3.44Å; Q265-T269 WeakPolarHBondContact O-CG2 3.21Å; Q265-T269 PolarHBondContact O-N 3.2Å; Q265-T269 PolarHBondContact O-OG1 2.83Å; L266-T269 WeakPolarHBondContact CA-OG1 3.41Å; L266-T269 PolarHBondContact O-OG1 3.49Å; T269-A272 PolarHBondContact O-N 2.88Å; T269-R273 PolarHBondContact O-N 3.13Å |
| 270 | N | 93.7 | Very high | 93.1 | Very high | 98 Ų | 98 | 98.6 Ų | 98.6 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 172.4 | -166.1 | -70.5 | 0 | 0 | 0 | 111.5 | L266 L267 A272 R273 Q274 | L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.43Å; L266-N270 PolarHBondContact O-N 2.72Å; L267-N270 PolarHBondContact O-N 2.99Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.85Å; N270-R273 PolarHBondContact O-N 2.79Å; N270-Q274 PolarHBondContact O-N 3.47Å |
| 271 | R | 95.2 | Very high | 93.5 | Very high | 120 Ų | 120 | 98.5 Ų | 98.5 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | 172.4 | -76.5 | -173.9 | -79.4 | -114.6 | 7.7 | 112.6 | L267 D268 R275 | L267-R271 WeakPolarHBondContact O-CB 3.39Å; L267-R271 VanDerWaalsContact O-CG 3.27Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.27Å; D268-R271 PolarHBondContact O-N 3.33Å; D268-R271 IonicContact OD1-CZ 3.58Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.57Å; D268-R271 PolarHBondContact OD1-NE 2.93Å; D268-R271 VanDerWaalsContact OD1-NE 3.1Å; D268-R271 IonicContact OD1-NH2 2.81Å; D268-R271 PolarHBondContact OD1-NH2 2.93Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.92Å; R271-R275 VanDerWaalsContact O-N 3.13Å; R271-R275 PolarHBondContact O-NE 3.42Å |
| 272 | A | 95.3 | Very high | 94 | Very high | 36 Ų | 36 | 100.3 Ų | 100.3 | 30% | 0.298 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D268 T269 N270 Q274 R275 E276 | D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.24Å; T269-A272 PolarHBondContact O-N 2.88Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.85Å; A272-Q274 VanDerWaalsContact C-N 3.3Å; A272-Q274 PolarHBondContact O-N 2.92Å; A272-R275 WeakPolarHBondContact O-CB 3.42Å; A272-R275 PolarHBondContact O-N 3.08Å; A272-R275 VanDerWaalsContact O-N 3.15Å; A272-E276 PolarHBondContact O-N 2.84Å |
| 273 | R | 94 | Very high | 94.2 | Very high | 169 Ų | 169 | 102.1 Ų | 102.1 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.4 | -40.9 | 173.9 | -177 | -177.2 | -68.9 | 179.4 | -2 | 111.9 | T269 N270 R275 E276 L277 | T269-R273 PolarHBondContact O-N 3.13Å; N270-R273 PolarHBondContact O-N 2.79Å; R273-R275 PolarHBondContact O-N 3.27Å; R273-E276 PolarHBondContact O-N 2.91Å; R273-L277 HydrophobicContact CG-CD1 4.11Å; R273-L277 HydrophobicContact CG-CG 4.44Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.4Å; R273-L277 PolarHBondContact O-N 3.36Å |
| 274 | Q | 96.1 | Very high | 94.5 | Very high | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.6 | -170.2 | 178.5 | 2.9 | 0 | 0 | 111.9 | N270 A272 L278 | N270-Q274 PolarHBondContact O-N 3.47Å; A272-Q274 VanDerWaalsContact C-N 3.3Å; A272-Q274 PolarHBondContact O-N 2.92Å; Q274-L278 VanDerWaalsContact O-CG 3.3Å; Q274-L278 WeakPolarHBondContact O-CG 3.22Å; Q274-L278 PolarHBondContact O-N 2.93Å; Q274-L278 VanDerWaalsContact O-N 3.09Å |
| 275 | R | 95.7 | Very high | 94.8 | Very high | 163 Ų | 163 | 101.8 Ų | 101.8 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 173.6 | -75.6 | -180 | -77.6 | 115.4 | -10.3 | 112.6 | R271 A272 R273 L278 S279 | R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.92Å; R271-R275 VanDerWaalsContact O-N 3.13Å; R271-R275 PolarHBondContact O-NE 3.42Å; A272-R275 WeakPolarHBondContact O-CB 3.42Å; A272-R275 PolarHBondContact O-N 3.08Å; A272-R275 VanDerWaalsContact O-N 3.15Å; R273-R275 PolarHBondContact O-N 3.27Å; R275-L278 PolarHBondContact O-N 3.45Å; R275-S279 PolarHBondContact O-N 3.01Å |
| 276 | E | 95.6 | Very high | 95 | Very high | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 177.1 | -177.4 | 170.6 | -147 | 0 | 0 | 112 | A272 R273 L278 S279 E280 | A272-E276 PolarHBondContact O-N 2.84Å; R273-E276 PolarHBondContact O-N 2.91Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.12Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 3.11Å; E276-S279 VanDerWaalsContact O-N 3.15Å; E276-E280 PolarHBondContact O-N 3.04Å |
| 277 | L | 95.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 97 Ų | 97 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 175.3 | -72.9 | 169.8 | 0 | 0 | 0 | 112.1 | R273 E280 C281 | R273-L277 HydrophobicContact CG-CD1 4.11Å; R273-L277 HydrophobicContact CG-CG 4.44Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.4Å; R273-L277 PolarHBondContact O-N 3.36Å; L277-E280 WeakPolarHBondContact O-CB 3.33Å; L277-E280 PolarHBondContact O-N 3.09Å; L277-C281 PolarHBondContact O-N 3.04Å; L277-C281 PolarHBondContact O-SG 2.87Å |
| 278 | L | 95.6 | Very high | 95.5 | Very high | 111 Ų | 111 | 96 Ų | 96 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 175 | -71.7 | 170.2 | 0 | 0 | 0 | 112.2 | Q274 R275 E276 E280 C281 E282 | Q274-L278 VanDerWaalsContact O-CG 3.3Å; Q274-L278 WeakPolarHBondContact O-CG 3.22Å; Q274-L278 PolarHBondContact O-N 2.93Å; Q274-L278 VanDerWaalsContact O-N 3.09Å; R275-L278 PolarHBondContact O-N 3.45Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.12Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.8Å; L278-C281 PolarHBondContact O-N 3.27Å; L278-E282 PolarHBondContact O-N 2.81Å |
| 279 | S | 95.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 96 Ų | 96 | 43% | 0.427 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | R275 E276 E282 R283 | R275-S279 PolarHBondContact O-N 3.01Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 3.11Å; E276-S279 VanDerWaalsContact O-N 3.15Å; S279-E282 PolarHBondContact O-N 2.99Å; S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.89Å; S279-R283 PolarHBondContact OG-NH1 2.75Å; S279-R283 VanDerWaalsContact OG-NH1 3.12Å |
| 280 | E | 95.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 175.1 | -172 | 140.3 | -100.7 | 0 | 0 | 112.8 | E276 L277 L278 E282 R283 H284 | E276-E280 PolarHBondContact O-N 3.04Å; L277-E280 WeakPolarHBondContact O-CB 3.33Å; L277-E280 PolarHBondContact O-N 3.09Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.8Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.82Å; E280-R283 PolarHBondContact O-N 2.86Å; E280-R283 IonicContact OE1-CZ 3.5Å; E280-R283 IonicContact OE1-NH2 3.28Å; E280-R283 PolarHBondContact OE1-NH2 3.42Å; E280-H284 WeakPolarHBondContact CG-NE2 3.33Å; E280-H284 PolarHBondContact O-CD2 2.87Å; E280-H284 PolarHBondContact O-N 3Å |
| 281 | C | 94 | Very high | 96 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 172.2 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | L277 L278 H284 K285 | L277-C281 PolarHBondContact O-N 3.04Å; L277-C281 PolarHBondContact O-SG 2.87Å; L278-C281 PolarHBondContact O-N 3.27Å; C281-H284 PolarHBondContact O-N 3.48Å; C281-K285 WeakPolarHBondContact O-CB 3.28Å; C281-K285 PolarHBondContact O-N 2.86Å |
| 282 | E | 96.2 | Very high | 96.1 | Very high | 86 Ų | 86 | 96.6 Ų | 96.6 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 178.1 | -165.7 | 61.5 | -151.3 | 0 | 0 | 112 | L278 S279 E280 H284 K285 I286 | L278-E282 PolarHBondContact O-N 2.81Å; S279-E282 PolarHBondContact O-N 2.99Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.82Å; E282-H284 VanDerWaalsContact C-N 3.32Å; E282-H284 PolarHBondContact O-N 3.17Å; E282-K285 PolarHBondContact O-N 3.29Å; E282-K285 IonicContact OE1-NZ 2.7Å; E282-K285 PolarHBondContact OE1-NZ 3.25Å; E282-K285 IonicContact OE2-NZ 2.64Å; E282-K285 PolarHBondContact OE2-NZ 3.28Å; E282-K285 VanDerWaalsContact OE2-NZ 3.12Å; E282-I286 HydrophobicContact CG-CD1 4.2Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 2.92Å |
| 283 | R | 96.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 98.6 Ų | 98.6 | 46% | 0.457 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 171.4 | -73.3 | -172.3 | -56.1 | -99.8 | 13.1 | 111.6 | S279 E280 A287 | S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.89Å; S279-R283 PolarHBondContact OG-NH1 2.75Å; S279-R283 VanDerWaalsContact OG-NH1 3.12Å; E280-R283 PolarHBondContact O-N 2.86Å; E280-R283 IonicContact OE1-CZ 3.5Å; E280-R283 IonicContact OE1-NH2 3.28Å; E280-R283 PolarHBondContact OE1-NH2 3.42Å; R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 2.82Å |
| 284 | H | 97.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 96.4 Ų | 96.4 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 179 | -72.3 | -47.7 | 0 | 0 | 0 | 112.9 | E280 C281 E282 A287 I288 | E280-H284 WeakPolarHBondContact CG-NE2 3.33Å; E280-H284 PolarHBondContact O-CD2 2.87Å; E280-H284 PolarHBondContact O-N 3Å; C281-H284 PolarHBondContact O-N 3.48Å; E282-H284 VanDerWaalsContact C-N 3.32Å; E282-H284 PolarHBondContact O-N 3.17Å; H284-A287 PolarHBondContact O-N 2.94Å; H284-I288 VanDerWaalsContact O-CG1 3.31Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.68Å |
| 285 | K | 96.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 173.6 | 177.5 | 176 | 152.1 | -127.1 | 0 | 111.4 | C281 E282 A287 I288 D289 | C281-K285 WeakPolarHBondContact O-CB 3.28Å; C281-K285 PolarHBondContact O-N 2.86Å; E282-K285 PolarHBondContact O-N 3.29Å; E282-K285 IonicContact OE1-NZ 2.7Å; E282-K285 PolarHBondContact OE1-NZ 3.25Å; E282-K285 IonicContact OE2-NZ 2.64Å; E282-K285 PolarHBondContact OE2-NZ 3.28Å; E282-K285 VanDerWaalsContact OE2-NZ 3.12Å; K285-A287 VanDerWaalsContact C-N 3.25Å; K285-A287 PolarHBondContact O-N 2.8Å; K285-I288 WeakPolarHBondContact O-CB 3.31Å; K285-I288 PolarHBondContact O-N 2.75Å; K285-D289 PolarHBondContact O-N 2.7Å |
| 286 | I | 96.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 89.5 Ų | 89.5 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.9 | -38.4 | 175.4 | -66.6 | 165.7 | 0 | 0 | 0 | 111.4 | E282 D289 Q290 | E282-I286 HydrophobicContact CG-CD1 4.2Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 2.92Å; I286-D289 PolarHBondContact O-N 2.79Å; I286-Q290 VanDerWaalsContact O-CG 3.27Å; I286-Q290 WeakPolarHBondContact O-CG 3.29Å; I286-Q290 PolarHBondContact O-N 3.01Å |
| 287 | A | 97 | Very high | 96.7 | Very high | 43 Ų | 43 | 89.2 Ų | 89.2 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R283 H284 K285 V291 | R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 2.82Å; H284-A287 PolarHBondContact O-N 2.94Å; K285-A287 VanDerWaalsContact C-N 3.25Å; K285-A287 PolarHBondContact O-N 2.8Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.4Å; A287-V291 VanDerWaalsContact O-N 3.13Å |
| 288 | I | 96.8 | Very high | 96.7 | Very high | 69 Ų | 69 | 87 Ų | 87 | 35% | 0.354 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | 172.8 | -69.8 | 162.8 | 0 | 0 | 0 | 109.7 | H284 K285 Q290 V291 D292 | H284-I288 VanDerWaalsContact O-CG1 3.31Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.68Å; K285-I288 WeakPolarHBondContact O-CB 3.31Å; K285-I288 PolarHBondContact O-N 2.75Å; I288-Q290 PolarHBondContact O-N 2.62Å; I288-V291 WeakPolarHBondContact O-CA 3.34Å; I288-V291 PolarHBondContact O-N 3.01Å; I288-D292 PolarHBondContact O-N 3.36Å |
| 289 | D | 97 | Very high | 96.9 | Very high | 83 Ų | 83 | 87.9 Ų | 87.9 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55.3 | -39.9 | 177.5 | -62.5 | -27.2 | 0 | 0 | 0 | 111.5 | K285 I286 D292 T293 | K285-D289 PolarHBondContact O-N 2.7Å; I286-D289 PolarHBondContact O-N 2.79Å; D289-D292 PolarHBondContact O-N 3.28Å; D289-T293 VanDerWaalsContact O-CG2 3.29Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.41Å; D289-T293 PolarHBondContact O-OG1 2.86Å |
| 290 | Q | 97.4 | Very high | 96.9 | Very high | 124 Ų | 124 | 90.7 Ų | 90.7 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 174 | -75.4 | 174.1 | 13.6 | 0 | 0 | 112.8 | I286 I288 D292 T293 H294 | I286-Q290 VanDerWaalsContact O-CG 3.27Å; I286-Q290 WeakPolarHBondContact O-CG 3.29Å; I286-Q290 PolarHBondContact O-N 3.01Å; I288-Q290 PolarHBondContact O-N 2.62Å; Q290-D292 VanDerWaalsContact C-N 3.34Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-T293 PolarHBondContact O-OG1 2.76Å; Q290-H294 PolarHBondContact O-N 2.96Å |
| 291 | V | 97.7 | Very high | 97.1 | Very high | 95 Ų | 95 | 90.8 Ų | 90.8 | 58% | 0.576 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | A287 I288 H294 L295 | A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.4Å; A287-V291 VanDerWaalsContact O-N 3.13Å; I288-V291 WeakPolarHBondContact O-CA 3.34Å; I288-V291 PolarHBondContact O-N 3.01Å; V291-H294 WeakPolarHBondContact O-CB 3.26Å; V291-H294 PolarHBondContact O-N 2.93Å; V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 PolarHBondContact O-N 3.36Å |
| 292 | D | 97.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 92.4 Ų | 92.4 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 178 | -74.4 | -30.2 | 0 | 0 | 0 | 112.2 | I288 D289 Q290 H294 L295 A296 | I288-D292 PolarHBondContact O-N 3.36Å; D289-D292 PolarHBondContact O-N 3.28Å; Q290-D292 VanDerWaalsContact C-N 3.34Å; D292-H294 VanDerWaalsContact C-N 3.3Å; D292-H294 PolarHBondContact O-N 2.94Å; D292-L295 PolarHBondContact O-N 3.49Å; D292-A296 WeakPolarHBondContact O-CB 3.34Å; D292-A296 PolarHBondContact O-N 3.37Å |
| 293 | T | 97.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 91 Ų | 91 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 172.5 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | D289 Q290 K297 | D289-T293 VanDerWaalsContact O-CG2 3.29Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.41Å; D289-T293 PolarHBondContact O-OG1 2.86Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-T293 PolarHBondContact O-OG1 2.76Å; T293-K297 VanDerWaalsContact O-CG 3.3Å; T293-K297 WeakPolarHBondContact O-CG 3.42Å; T293-K297 PolarHBondContact O-N 3.47Å; T293-K297 VanDerWaalsContact O-N 3.15Å |
| 294 | H | 98 | Very high | 97.3 | Very high | 123 Ų | 123 | 90.3 Ų | 90.3 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.8 | -42.3 | 174.1 | -172.2 | -88.3 | 0 | 0 | 0 | 111.3 | Q290 V291 D292 A296 K297 T298 | Q290-H294 PolarHBondContact O-N 2.96Å; V291-H294 WeakPolarHBondContact O-CB 3.26Å; V291-H294 PolarHBondContact O-N 2.93Å; D292-H294 VanDerWaalsContact C-N 3.3Å; D292-H294 PolarHBondContact O-N 2.94Å; H294-A296 VanDerWaalsContact C-N 3.35Å; H294-A296 PolarHBondContact O-N 2.87Å; H294-K297 PolarHBondContact O-N 2.89Å; H294-T298 WeakPolarHBondContact O-CG2 3.42Å; H294-T298 PolarHBondContact O-N 2.78Å; H294-T298 PolarHBondContact O-OG1 3.2Å |
| 295 | L | 97.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 90 Ų | 90 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 175.8 | -177.7 | 61 | 0 | 0 | 0 | 112.2 | V291 D292 T298 K299 | V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 PolarHBondContact O-N 3.36Å; D292-L295 PolarHBondContact O-N 3.49Å; L295-T298 WeakPolarHBondContact CA-OG1 3.36Å; L295-T298 PolarHBondContact O-OG1 3.16Å; L295-T298 VanDerWaalsContact O-OG1 3.1Å; L295-K299 HydrophobicContact CD1-CD 4.45Å; L295-K299 HydrophobicContact CD1-CG 4.43Å; L295-K299 HydrophobicContact CG-CD 4.23Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.41Å; L295-K299 PolarHBondContact O-N 3Å |
| 296 | A | 97.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 90.7 Ų | 90.7 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D292 H294 K299 M300 | D292-A296 WeakPolarHBondContact O-CB 3.34Å; D292-A296 PolarHBondContact O-N 3.37Å; H294-A296 VanDerWaalsContact C-N 3.35Å; H294-A296 PolarHBondContact O-N 2.87Å; A296-K299 PolarHBondContact O-N 2.85Å; A296-M300 WeakPolarHBondContact O-CB 3.32Å; A296-M300 PolarHBondContact O-N 3.43Å |
| 297 | K | 97.6 | Very high | 97.4 | Very high | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.6 | -72.4 | 167.2 | -177 | 171.6 | 0 | 112.4 | T293 H294 M300 N301 | T293-K297 VanDerWaalsContact O-CG 3.3Å; T293-K297 WeakPolarHBondContact O-CG 3.42Å; T293-K297 PolarHBondContact O-N 3.47Å; T293-K297 VanDerWaalsContact O-N 3.15Å; H294-K297 PolarHBondContact O-N 2.89Å; K297-M300 PolarHBondContact O-N 3.46Å; K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 3.38Å |
| 298 | T | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.301 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | H294 L295 M300 N301 L302 | H294-T298 WeakPolarHBondContact O-CG2 3.42Å; H294-T298 PolarHBondContact O-N 2.78Å; H294-T298 PolarHBondContact O-OG1 3.2Å; L295-T298 WeakPolarHBondContact CA-OG1 3.36Å; L295-T298 PolarHBondContact O-OG1 3.16Å; L295-T298 VanDerWaalsContact O-OG1 3.1Å; T298-M300 PolarHBondContact O-N 2.87Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-L302 WeakPolarHBondContact O-CB 3.39Å; T298-L302 WeakPolarHBondContact O-CG 3.14Å; T298-L302 PolarHBondContact O-N 2.92Å |
| 299 | K | 98 | Very high | 97.5 | Very high | 129 Ų | 129 | 95 Ų | 95 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 171.8 | -76.4 | 173.3 | 177 | 177.1 | 0 | 112.2 | L295 A296 L302 S303 | L295-K299 HydrophobicContact CD1-CD 4.45Å; L295-K299 HydrophobicContact CD1-CG 4.43Å; L295-K299 HydrophobicContact CG-CD 4.23Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.41Å; L295-K299 PolarHBondContact O-N 3Å; A296-K299 PolarHBondContact O-N 2.85Å; K299-L302 PolarHBondContact O-N 3.25Å; K299-S303 PolarHBondContact O-N 3.49Å |
| 300 | M | 97.5 | Very high | 97.5 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 175.8 | -171 | -174.6 | 75.8 | 0 | 0 | 111.7 | A296 K297 T298 L302 S303 Q304 | A296-M300 WeakPolarHBondContact O-CB 3.32Å; A296-M300 PolarHBondContact O-N 3.43Å; K297-M300 PolarHBondContact O-N 3.46Å; T298-M300 PolarHBondContact O-N 2.87Å; M300-L302 VanDerWaalsContact C-N 3.35Å; M300-L302 PolarHBondContact O-N 2.99Å; M300-S303 PolarHBondContact O-N 2.91Å; M300-Q304 PolarHBondContact O-N 2.72Å |
| 301 | N | 97.7 | Very high | 97.5 | Very high | 80 Ų | 80 | 94.7 Ų | 94.7 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.8 | -68.1 | -5.1 | 0 | 0 | 0 | 112.3 | K297 T298 Q304 L305 | K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 3.38Å; T298-N301 PolarHBondContact O-N 3.49Å; N301-Q304 PolarHBondContact O-N 2.94Å; N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.19Å |
| 302 | L | 97.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 174.9 | -75.5 | 169.2 | 0 | 0 | 0 | 111.5 | T298 K299 M300 Q304 L305 E306 | T298-L302 WeakPolarHBondContact O-CB 3.39Å; T298-L302 WeakPolarHBondContact O-CG 3.14Å; T298-L302 PolarHBondContact O-N 2.92Å; K299-L302 PolarHBondContact O-N 3.25Å; M300-L302 VanDerWaalsContact C-N 3.35Å; M300-L302 PolarHBondContact O-N 2.99Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.28Å; L302-L305 PolarHBondContact O-N 2.83Å; L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 PolarHBondContact O-N 2.88Å |
| 303 | S | 97.1 | Very high | 97.5 | Very high | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | K299 M300 N307 | K299-S303 PolarHBondContact O-N 3.49Å; M300-S303 PolarHBondContact O-N 2.91Å; S303-N307 WeakPolarHBondContact O-CB 3.48Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.98Å |
| 304 | Q | 97.1 | Very high | 97.4 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.4 | -175.5 | 177 | -4.4 | 0 | 0 | 111.9 | M300 N301 L302 N307 Q308 | M300-Q304 PolarHBondContact O-N 2.72Å; N301-Q304 PolarHBondContact O-N 2.94Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.28Å; Q304-N307 PolarHBondContact O-N 3.48Å; Q304-Q308 WeakPolarHBondContact O-CG 3.44Å; Q304-Q308 PolarHBondContact O-N 3.02Å |
| 305 | L | 97.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.5 | -75 | 165.8 | 0 | 0 | 0 | 112.1 | N301 L302 N307 Q308 I309 | N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.19Å; L302-L305 PolarHBondContact O-N 2.83Å; L305-N307 PolarHBondContact O-N 3.41Å; L305-Q308 PolarHBondContact O-N 2.74Å; L305-I309 WeakPolarHBondContact O-CG1 3.46Å; L305-I309 PolarHBondContact O-N 3.46Å |
| 306 | E | 97.4 | Very high | 97.4 | Very high | 119 Ų | 119 | 98.1 Ų | 98.1 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59 | -45.7 | 174.2 | -178.9 | 177.5 | -163.4 | 0 | 0 | 111.3 | L302 Q308 I309 N310 | L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 PolarHBondContact O-N 2.88Å; E306-Q308 PolarHBondContact O-N 2.96Å; E306-I309 PolarHBondContact O-N 3.1Å; E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.1Å; E306-N310 PolarHBondContact O-ND2 3.22Å; E306-N310 VanDerWaalsContact O-ND2 3.13Å |
| 307 | N | 97.1 | Very high | 97.4 | Very high | 84 Ų | 84 | 100.1 Ų | 100.1 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 174.9 | -77 | -51.9 | 0 | 0 | 0 | 112.8 | S303 Q304 L305 N310 Q311 | S303-N307 WeakPolarHBondContact O-CB 3.48Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.98Å; Q304-N307 PolarHBondContact O-N 3.48Å; L305-N307 PolarHBondContact O-N 3.41Å; N307-N310 PolarHBondContact O-N 3.09Å; N307-Q311 VanDerWaalsContact O-CG 3.25Å; N307-Q311 WeakPolarHBondContact O-CG 3.4Å; N307-Q311 PolarHBondContact O-N 3.15Å |
| 308 | Q | 97.6 | Very high | 97.4 | Very high | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.9 | -74.4 | 177.8 | -42.9 | 0 | 0 | 112.2 | Q304 L305 E306 N310 Q311 E312 | Q304-Q308 WeakPolarHBondContact O-CG 3.44Å; Q304-Q308 PolarHBondContact O-N 3.02Å; L305-Q308 PolarHBondContact O-N 2.74Å; E306-Q308 PolarHBondContact O-N 2.96Å; Q308-N310 VanDerWaalsContact C-N 3.34Å; Q308-N310 PolarHBondContact O-N 3.45Å; Q308-Q311 PolarHBondContact O-N 3.34Å; Q308-E312 PolarHBondContact O-N 2.85Å |
| 309 | I | 97.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.4 | -69.7 | 164.5 | 0 | 0 | 0 | 110.2 | L305 E306 Q311 E312 L313 | L305-I309 WeakPolarHBondContact O-CG1 3.46Å; L305-I309 PolarHBondContact O-N 3.46Å; E306-I309 PolarHBondContact O-N 3.1Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.75Å; I309-E312 PolarHBondContact O-N 3.47Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.29Å; I309-L313 PolarHBondContact O-N 3.31Å |
| 310 | N | 97.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.4 | -73.9 | -36.4 | 0 | 0 | 0 | 112.3 | E306 N307 Q308 N314 | E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.1Å; E306-N310 PolarHBondContact O-ND2 3.22Å; E306-N310 VanDerWaalsContact O-ND2 3.13Å; N307-N310 PolarHBondContact O-N 3.09Å; Q308-N310 VanDerWaalsContact C-N 3.34Å; Q308-N310 PolarHBondContact O-N 3.45Å; N310-N314 WeakPolarHBondContact O-CB 3.25Å; N310-N314 PolarHBondContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.99Å |
| 311 | Q | 97.4 | Very high | 97.3 | Very high | 130 Ų | 130 | 98.5 Ų | 98.5 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 175.2 | -74.9 | 168.4 | 13.5 | 0 | 0 | 112.3 | N307 Q308 I309 N314 R315 | N307-Q311 VanDerWaalsContact O-CG 3.25Å; N307-Q311 WeakPolarHBondContact O-CG 3.4Å; N307-Q311 PolarHBondContact O-N 3.15Å; Q308-Q311 PolarHBondContact O-N 3.34Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.75Å; Q311-N314 PolarHBondContact O-N 3.43Å; Q311-R315 WeakPolarHBondContact O-CB 3.39Å; Q311-R315 PolarHBondContact O-N 2.92Å |
| 312 | E | 97.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 96.3 Ų | 96.3 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.4 | -74 | -63.4 | 152.6 | 0 | 0 | 112.3 | Q308 I309 R315 L316 | Q308-E312 PolarHBondContact O-N 2.85Å; I309-E312 PolarHBondContact O-N 3.47Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.18Å; E312-R315 IonicContact OE1-NH1 3.26Å; E312-R315 IonicContact OE2-NH1 2.72Å; E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 VanDerWaalsContact O-CG 3.32Å; E312-L316 WeakPolarHBondContact O-CG 3.37Å; E312-L316 PolarHBondContact O-N 2.93Å |
| 313 | L | 97.6 | Very high | 97.2 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 172.9 | -74.4 | 173.7 | 0 | 0 | 0 | 112.1 | I309 R315 L316 L317 | I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.29Å; I309-L313 PolarHBondContact O-N 3.31Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-L316 PolarHBondContact O-N 2.91Å; L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.43Å |
| 314 | N | 97 | Very high | 97.1 | Very high | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.7 | -80.5 | -64.9 | 0 | 0 | 0 | 111.8 | N310 Q311 L317 N318 | N310-N314 WeakPolarHBondContact O-CB 3.25Å; N310-N314 PolarHBondContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.99Å; Q311-N314 PolarHBondContact O-N 3.43Å; N314-L317 PolarHBondContact O-N 3.17Å; N314-N318 WeakPolarHBondContact O-CB 3.44Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.46Å; N314-N318 PolarHBondContact O-ND2 2.9Å |
| 315 | R | 97.5 | Very high | 97 | Very high | 132 Ų | 132 | 99 Ų | 99 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -51.9 | 175.1 | 179.4 | -172 | 167.2 | -172.8 | -2.3 | 111.6 | Q311 E312 L313 L317 N318 E319 | Q311-R315 WeakPolarHBondContact O-CB 3.39Å; Q311-R315 PolarHBondContact O-N 2.92Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.18Å; E312-R315 IonicContact OE1-NH1 3.26Å; E312-R315 IonicContact OE2-NH1 2.72Å; L313-R315 VanDerWaalsContact C-N 3.33Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 2.99Å; R315-N318 PolarHBondContact O-N 3.47Å; R315-E319 IonicContact CZ-OE1 2.85Å; R315-E319 IonicContact NE-OE1 2.68Å; R315-E319 PolarHBondContact NE-OE1 3.42Å; R315-E319 IonicContact NH2-OE1 3.1Å; R315-E319 PolarHBondContact NH2-OE1 2.9Å; R315-E319 WeakPolarHBondContact O-CG 3.44Å; R315-E319 PolarHBondContact O-N 3.45Å |
| 316 | L | 97.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | 178.7 | -71.5 | 171 | 0 | 0 | 0 | 112 | E312 L313 L320 | E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 VanDerWaalsContact O-CG 3.32Å; E312-L316 WeakPolarHBondContact O-CG 3.37Å; E312-L316 PolarHBondContact O-N 2.93Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 PolarHBondContact O-N 3.4Å |
| 317 | L | 97.2 | Very high | 96.8 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 175.1 | -170.2 | 148.4 | 0 | 0 | 0 | 111.6 | L313 N314 R315 L320 E321 | L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.43Å; N314-L317 PolarHBondContact O-N 3.17Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 2.99Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-E321 PolarHBondContact O-N 2.83Å |
| 318 | N | 96.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.2 | -70.7 | -26.4 | 0 | 0 | 0 | 112.4 | N314 R315 E321 G322 | N314-N318 WeakPolarHBondContact O-CB 3.44Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.46Å; N314-N318 PolarHBondContact O-ND2 2.9Å; R315-N318 PolarHBondContact O-N 3.47Å; N318-E321 PolarHBondContact O-N 2.91Å; N318-G322 PolarHBondContact O-N 3.48Å |
| 319 | E | 97.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 107.8 Ų | 107.8 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.6 | -73 | 178.2 | -168.1 | 0 | 0 | 110.5 | R315 E321 G322 Y323 | R315-E319 IonicContact CZ-OE1 2.85Å; R315-E319 IonicContact NE-OE1 2.68Å; R315-E319 PolarHBondContact NE-OE1 3.42Å; R315-E319 IonicContact NH2-OE1 3.1Å; R315-E319 PolarHBondContact NH2-OE1 2.9Å; R315-E319 WeakPolarHBondContact O-CG 3.44Å; R315-E319 PolarHBondContact O-N 3.45Å; E319-E321 PolarHBondContact O-N 2.88Å; E319-G322 PolarHBondContact O-N 3.05Å; E319-Y323 HydrophobicContact CB-CE2 4.46Å; E319-Y323 WeakPolarHBondContact O-CD2 3.48Å; E319-Y323 PolarHBondContact O-N 2.85Å |
| 320 | L | 97.2 | Very high | 96 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 175.7 | -178.6 | 63.3 | 0 | 0 | 0 | 112.4 | L316 L317 N324 | L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 PolarHBondContact O-N 3.4Å; L317-L320 PolarHBondContact O-N 3.49Å; L320-N324 WeakPolarHBondContact O-CB 3.28Å; L320-N324 PolarHBondContact O-N 2.81Å; L320-N324 PolarHBondContact O-ND2 3.19Å |
| 321 | E | 96.8 | Very high | 95.7 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 174.4 | -163.3 | -175 | 157.4 | 0 | 0 | 110.9 | L317 N318 E319 Y323 N324 Q325 | L317-E321 PolarHBondContact O-N 2.83Å; N318-E321 PolarHBondContact O-N 2.91Å; E319-E321 PolarHBondContact O-N 2.88Å; E321-Y323 PolarHBondContact O-N 3.08Å; E321-N324 CarbonylContact O-C 3.57Å; E321-N324 WeakPolarHBondContact O-CA 3.48Å; E321-N324 WeakPolarHBondContact O-CB 3.46Å; E321-N324 PolarHBondContact O-N 2.87Å; E321-N324 VanDerWaalsContact O-N 3.08Å; E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.26Å; E321-Q325 PolarHBondContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 2.94Å |
| 322 | G | 96.5 | Very high | 95.2 | Very high | 34 Ų | 34 | 110.9 Ų | 110.9 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N318 E319 N324 Q325 H326 | N318-G322 PolarHBondContact O-N 3.48Å; E319-G322 PolarHBondContact O-N 3.05Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 3.48Å; G322-Q325 PolarHBondContact O-N 2.84Å; G322-H326 WeakPolarHBondContact O-CB 3.33Å; G322-H326 PolarHBondContact O-N 3.28Å |
| 323 | Y | 96.3 | Very high | 94.4 | Very high | 165 Ų | 165 | 110.2 Ų | 110.2 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -38.5 | 173.8 | -73.1 | -60.1 | 0 | 0 | 0 | 112.6 | E319 E321 H326 R327 | E319-Y323 HydrophobicContact CB-CE2 4.46Å; E319-Y323 WeakPolarHBondContact O-CD2 3.48Å; E319-Y323 PolarHBondContact O-N 2.85Å; E321-Y323 PolarHBondContact O-N 3.08Å; Y323-H326 PolarHBondContact O-N 3.48Å; Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 2.91Å |
| 324 | N | 95.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 109 Ų | 109 | 35% | 0.353 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 175.2 | -85.1 | -73.2 | 0 | 0 | 0 | 112.4 | L320 E321 G322 R327 R328 | L320-N324 WeakPolarHBondContact O-CB 3.28Å; L320-N324 PolarHBondContact O-N 2.81Å; L320-N324 PolarHBondContact O-ND2 3.19Å; E321-N324 CarbonylContact O-C 3.57Å; E321-N324 WeakPolarHBondContact O-CA 3.48Å; E321-N324 WeakPolarHBondContact O-CB 3.46Å; E321-N324 PolarHBondContact O-N 2.87Å; E321-N324 VanDerWaalsContact O-N 3.08Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 3.48Å; N324-R327 PolarHBondContact O-N 3.36Å; N324-R328 VanDerWaalsContact O-CG 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.37Å; N324-R328 PolarHBondContact O-N 3.41Å |
| 325 | Q | 95.7 | Very high | 91.7 | Very high | 103 Ų | 103 | 107.5 Ų | 107.5 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.1 | -68.6 | 177.7 | 14.8 | 0 | 0 | 110.9 | E321 G322 R327 R328 L329 | E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.26Å; E321-Q325 PolarHBondContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 2.94Å; G322-Q325 PolarHBondContact O-N 2.84Å; Q325-R327 PolarHBondContact O-N 3.44Å; Q325-R328 WeakPolarHBondContact O-CB 3.49Å; Q325-R328 PolarHBondContact O-N 3.26Å; Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.37Å |
| 326 | H | 94.8 | Very high | 89.9 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.3 | -44.8 | 175.8 | -174.1 | 73.9 | 0 | 0 | 0 | 112.2 | G322 Y323 R328 L329 L330 | G322-H326 WeakPolarHBondContact O-CB 3.33Å; G322-H326 PolarHBondContact O-N 3.28Å; Y323-H326 PolarHBondContact O-N 3.48Å; H326-R328 VanDerWaalsContact C-N 3.33Å; H326-R328 PolarHBondContact O-N 3.05Å; H326-L329 WeakPolarHBondContact O-CB 3.25Å; H326-L329 PolarHBondContact O-N 2.78Å; H326-L329 VanDerWaalsContact O-N 3.15Å; H326-L330 PolarHBondContact O-N 3.38Å |
| 327 | R | 95.2 | Very high | 87.8 | Confident | 167 Ų | 167 | 104.4 Ų | 104.4 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.7 | -40.5 | 174.9 | -174.9 | 177.7 | -179.8 | 178.4 | 1.1 | 112.3 | Y323 N324 Q325 L330 L331 | Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 2.91Å; N324-R327 PolarHBondContact O-N 3.36Å; Q325-R327 PolarHBondContact O-N 3.44Å; R327-L330 PolarHBondContact O-N 3.09Å; R327-L331 HydrophobicContact CG-CD1 4.17Å; R327-L331 VanDerWaalsContact O-CG 3.32Å; R327-L331 WeakPolarHBondContact O-CG 3.39Å; R327-L331 PolarHBondContact O-N 3.19Å |
| 328 | R | 93.6 | Very high | 85.6 | Confident | 181 Ų | 181 | 104.9 Ų | 104.9 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.9 | -39.6 | 174.9 | -72.8 | 170.7 | -174.7 | -169.3 | 4 | 111.9 | N324 Q325 H326 K332 | N324-R328 VanDerWaalsContact O-CG 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.37Å; N324-R328 PolarHBondContact O-N 3.41Å; Q325-R328 WeakPolarHBondContact O-CB 3.49Å; Q325-R328 PolarHBondContact O-N 3.26Å; H326-R328 VanDerWaalsContact C-N 3.33Å; H326-R328 PolarHBondContact O-N 3.05Å; R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 2.89Å |
| 329 | L | 92 | Very high | 83.6 | Confident | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -46.5 | 176.4 | -68.5 | 171.8 | 0 | 0 | 0 | 112.1 | Q325 H326 L331 K332 S333 | Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.37Å; H326-L329 WeakPolarHBondContact O-CB 3.25Å; H326-L329 PolarHBondContact O-N 2.78Å; H326-L329 VanDerWaalsContact O-N 3.15Å; L329-L331 PolarHBondContact O-N 2.94Å; L329-K332 WeakPolarHBondContact O-CB 3.44Å; L329-K332 PolarHBondContact O-N 3.24Å; L329-S333 PolarHBondContact O-N 3.11Å; L329-S333 PolarHBondContact O-OG 3.18Å |
| 330 | L | 90.8 | Very high | 81.5 | Confident | 93 Ų | 93 | 110 Ų | 110 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.2 | -48.1 | 176.2 | -70.7 | 175.3 | 0 | 0 | 0 | 111.8 | H326 R327 K332 S333 A334 | H326-L330 PolarHBondContact O-N 3.38Å; R327-L330 PolarHBondContact O-N 3.09Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 2.87Å; L330-S333 PolarHBondContact O-N 2.83Å; L330-S333 PolarHBondContact O-OG 3.13Å; L330-A334 PolarHBondContact O-N 3.17Å |
| 331 | L | 88.8 | Confident | 79.4 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 59% | 0.586 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61 | -38.1 | 176.6 | -70.8 | 170.4 | 0 | 0 | 0 | 112.2 | R327 L329 A334 G335 | R327-L331 HydrophobicContact CG-CD1 4.17Å; R327-L331 VanDerWaalsContact O-CG 3.32Å; R327-L331 WeakPolarHBondContact O-CG 3.39Å; R327-L331 PolarHBondContact O-N 3.19Å; L329-L331 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 2.84Å; L331-G335 PolarHBondContact O-N 3.24Å |
| 332 | K | 87.2 | Confident | 77.5 | Confident | 166 Ų | 166 | 116.4 Ų | 116.4 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.6 | -38.9 | 175.9 | -168.4 | 175.9 | -179.1 | -178.7 | 0 | 112.1 | R328 L329 L330 | R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 2.89Å; L329-K332 WeakPolarHBondContact O-CB 3.44Å; L329-K332 PolarHBondContact O-N 3.24Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 2.87Å |
| 333 | S | 82.1 | Confident | 75.5 | Confident | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.7 | -32.7 | 175 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | L329 L330 S336 | L329-S333 PolarHBondContact O-N 3.11Å; L329-S333 PolarHBondContact O-OG 3.18Å; L330-S333 PolarHBondContact O-N 2.83Å; L330-S333 PolarHBondContact O-OG 3.13Å; S333-S336 PolarHBondContact O-OG 2.64Å; S333-S336 VanDerWaalsContact O-OG 3.1Å |
| 334 | A | 75 | Confident | 73.6 | Confident | 78 Ų | 78 | 117.8 Ų | 117.8 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L330 L331 S336 | L330-A334 PolarHBondContact O-N 3.17Å; L331-A334 PolarHBondContact O-N 2.84Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.78Å |
| 335 | G | 62.7 | Low | 71.9 | Confident | 63 Ų | 63 | 121.8 Ų | 121.8 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73 | -16.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L331 | L331-G335 PolarHBondContact O-N 3.24Å |
| 336 | S | 59 | Low | 69.8 | Low | 93 Ų | 93 | 120.6 Ų | 120.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 3.3 | -173.9 | 47.1 | 0 | 0 | 0 | 0 | 115.7 | S333 A334 | S333-S336 PolarHBondContact O-OG 2.64Å; S333-S336 VanDerWaalsContact O-OG 3.1Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.78Å |
| 337 | G | 54.4 | Low | 68.3 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 2.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 338 | S | 51.4 | Low | 66.1 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -119.3 | 56.9 | -165.6 | -178.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 339 | S | 52.7 | Low | 63.9 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -146.7 | 55.7 | 171.3 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | P341 | S339-P341 VanDerWaalsContact O-CD 3.29Å; S339-P341 WeakPolarHBondContact O-CD 3.42Å | ||
| 340 | Q | 54.3 | Low | 62.5 | Low | 182 Ų | 182 | 120 Ų | 120 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.9 | 171.6 | -170.6 | -178.3 | 4.3 | 0 | 0 | 109.7 | ||
| 341 | P | 53.6 | Low | 61 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.2 | 172.9 | 30.2 | -32.5 | 0 | 0 | 0 | 109.3 | S339 | S339-P341 VanDerWaalsContact O-CD 3.29Å; S339-P341 WeakPolarHBondContact O-CD 3.42Å |
| 342 | R | 55 | Low | 59.5 | Low | 234 Ų | 234 | 121.9 Ų | 121.9 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.2 | 169.9 | -75.9 | 179.3 | 169.4 | -178.3 | -4.7 | 109.1 | S344 | R342-S344 PolarHBondContact O-N 2.86Š|
| 343 | P | 56.2 | Low | 57.8 | Low | 107 Ų | 107 | 119.3 Ų | 119.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.7 | 164 | 29.4 | -31.4 | 0 | 0 | 0 | 108.4 | D345 | P343-D345 PolarHBondContact O-N 3.44Š|
| 344 | S | 55.9 | Low | 56.3 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -81.1 | 99.1 | 170.7 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | R342 G346 | R342-S344 PolarHBondContact O-N 2.86Å; S344-G346 PolarHBondContact O-N 3.37Å | ||
| 345 | D | 60.5 | Low | 55.1 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 113.2 | 168.7 | -76.2 | -38.3 | 0 | 0 | 0 | 109.5 | P343 V347 | P343-D345 PolarHBondContact O-N 3.44Å; D345-V347 PolarHBondContact O-N 3.36Å | ||
| 346 | G | 50.7 | Low | 54.5 | Low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 111.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S344 | S344-G346 PolarHBondContact O-N 3.37Š| ||
| 347 | V | 62.9 | Low | 54.2 | Low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -88.1 | 117.1 | 164.2 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | D345 | D345-V347 PolarHBondContact O-N 3.36Š| ||
| 348 | A | 50.4 | Low | 54.2 | Low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -119.3 | 82.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 349 | V | 46.6 | Very low | 54.4 | Low | 205 Ų | 205 | 138.8 Ų | 138.8 | 100% | 1.242 | 84% | 0.838 | S | S | * | * | trans | -146 | 0 | 153.4 | -179.8 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 349 of 349 residues in 56.2 ms
(Link to these results)