| 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 | 55.7 | Low | 58 | Low | 117 Ų | 117 | 61.9 Ų | 61.9 | 58% | 0.576 | 34% | 0.343 | S | S | * | . | 0 | 116.9 | 0 | -174.9 | 166 | 164.8 | 0 | 0 | 105.1 | R15 L33 | M1-R15 HydrophobicContact CE-CB 4.34Å; M1-L33 HydrophobicContact CB-CB 4.41Å; M1-L33 HydrophobicContact CE-CD1 4.15Å; M1-L33 HydrophobicContact CG-CD1 4.15Å; M1-L33 PolarHBondContact O-N 3.42Å | |||
| 2 | L | 58 | Low | 58.2 | Low | 102 Ų | 102 | 61.3 Ų | 61.3 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.3 | -172.4 | -61.4 | 172.3 | 0 | 0 | 0 | 108.4 | V30 Q31 | L2-V30 HydrophobicContact CB-CG1 4.06Å; L2-V30 HydrophobicContact CD1-CG1 4.02Å; L2-V30 HydrophobicContact CD2-CG1 4.27Å; L2-V30 HydrophobicContact CG-CG1 4.33Å; L2-Q31 CarbonylContact C-O 3.44Å; L2-Q31 WeakPolarHBondContact CA-O 3.49Å |
| 3 | A | 59.7 | Low | 58.6 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 143.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | V30 Q31 L33 P66 | A3-V30 CarbonylContact O-C 3.25Å; A3-V30 WeakPolarHBondContact O-CA 3.38Å; A3-Q31 PolarHBondContact N-O 3.44Å; A3-Q31 PolarHBondContact O-N 2.91Å; A3-L33 HydrophobicContact CB-CD1 4.32Å; A3-L33 HydrophobicContact CB-CG 4.42Å; A3-P66 HydrophobicContact CB-CB 3.59Å; A3-P66 HydrophobicContact CB-CG 3.5Å |
| 4 | R | 64.4 | Low | 58.7 | Low | 118 Ų | 118 | 61.4 Ų | 61.4 | 45% | 0.445 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.3 | 179.7 | -70.3 | 177.4 | 166.3 | -177.4 | -1.5 | 110.3 | L13 I27 Y29 V30 | R4-L13 HydrophobicContact CB-CB 4.03Å; R4-L13 HydrophobicContact CB-CD1 4.11Å; R4-L13 HydrophobicContact CB-CG 4.5Å; R4-L13 PolarHBondContact N-O 3.33Å; R4-L13 WeakPolarHBondContact O-CA 3.47Å; R4-L13 VanDerWaalsContact O-CB 3.25Å; R4-L13 WeakPolarHBondContact O-CB 3.49Å; R4-L13 PolarHBondContact O-N 2.93Å; R4-I27 HydrophobicContact CB-CG2 4.04Å; R4-I27 HydrophobicContact CG-CG2 4.1Å; R4-Y29 VanDerWaalsContact CA-O 3.31Å; R4-Y29 WeakPolarHBondContact CA-O 3.5Å; R4-V30 HydrophobicContact CG-CG1 4.1Å; R4-V30 HydrophobicContact CG-CG2 4.17Å |
| 5 | A | 59.3 | Low | 58.6 | Low | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R28 Y29 Y71 | A5-R28 PolarHBondContact O-N 3.12Å; A5-R28 VanDerWaalsContact O-N 3.14Å; A5-Y29 HydrophobicContact CB-CD2 4.31Å; A5-Y29 PolarHBondContact N-O 3.42Å; A5-Y71 HydrophobicContact CB-CE2 4.1Å |
| 6 | A | 60.1 | Low | 58.9 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | G10 L13 D25 Y71 | A6-G10 PolarHBondContact O-N 3.14Å; A6-L13 HydrophobicContact CB-CD1 4.5Å; A6-D25 HydrophobicContact CB-CB 4.23Å; A6-Y71 PolarHBondContact O-OH 3.36Å |
| 7 | R | 52.6 | Low | 59.1 | Low | 133 Ų | 133 | 76.9 Ų | 76.9 | 50% | 0.502 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.1 | -175.2 | -177.3 | -179.8 | -86 | -159.4 | -11.3 | 113.7 | R26 R28 | R7-R26 PolarHBondContact N-O 3.22Å; R7-R28 VanDerWaalsContact CZ-CZ 3.49Å; R7-R28 VanDerWaalsContact CZ-NE 3.27Å |
| 8 | G | 54.4 | Low | 59.5 | Low | 50 Ų | 50 | 76.3 Ų | 76.3 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -45.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L24 | G8-L24 WeakPolarHBondContact CA-O 3.33Š|
| 9 | T | 56.4 | Low | 60 | Low | 87 Ų | 87 | 80.5 Ų | 80.5 | 53% | 0.534 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.8 | -175 | 45.7 | 0 | 0 | 0 | 0 | 114.5 | A11 D25 | T9-A11 PolarHBondContact O-N 2.99Å; T9-A11 VanDerWaalsContact O-N 3.13Å; T9-D25 WeakPolarHBondContact CB-OD1 3.41Å; T9-D25 WeakPolarHBondContact CG2-OD1 3.37Å; T9-D25 PolarHBondContact N-OD1 3.19Å; T9-D25 PolarHBondContact OG1-OD1 3.29Å |
| 10 | G | 59.3 | Low | 60.4 | Low | 28 Ų | 28 | 79.1 Ų | 79.1 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | trans | 68.6 | 1.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | A6 | A6-G10 PolarHBondContact O-N 3.14Š| ||
| 11 | A | 58.7 | Low | 61 | Low | 42 Ų | 42 | 79.7 Ų | 79.7 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | trans | -68.4 | 136.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | T9 | T9-A11 PolarHBondContact O-N 2.99Å; T9-A11 VanDerWaalsContact O-N 3.13Å | ||
| 12 | L | 60.3 | Low | 61.5 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116 | 170.6 | -128.5 | 75.5 | 0 | 0 | 0 | 110.3 | L14 P66 Y67 | L12-L14 HydrophobicContact CD2-CD2 4.23Å; L12-L14 HydrophobicContact CD2-CG 4.5Å; L12-L14 PolarHBondContact O-N 3.32Å; L12-L14 VanDerWaalsContact O-N 3.09Å; L12-P66 HydrophobicContact CD2-CB 4.25Å; L12-P66 HydrophobicContact CD2-CG 4.5Å; L12-Y67 HydrophobicContact CD1-CD2 3.67Å; L12-Y67 HydrophobicContact CD1-CG 4.1Å |
| 13 | L | 63.5 | Low | 62.1 | Low | 20 Ų | 20 | 81.1 Ų | 81.1 | 11% | 0.105 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 85.3 | 175.6 | -48.8 | -179.3 | 0 | 0 | 0 | 108.2 | R4 A6 N18 L20 I27 | R4-L13 HydrophobicContact CB-CB 4.03Å; R4-L13 HydrophobicContact CB-CD1 4.11Å; R4-L13 HydrophobicContact CB-CG 4.5Å; R4-L13 PolarHBondContact N-O 3.33Å; R4-L13 WeakPolarHBondContact O-CA 3.47Å; R4-L13 VanDerWaalsContact O-CB 3.25Å; R4-L13 WeakPolarHBondContact O-CB 3.49Å; R4-L13 PolarHBondContact O-N 2.93Å; A6-L13 HydrophobicContact CB-CD1 4.5Å; L13-N18 HydrophobicContact CD2-CB 4.04Å; L13-L20 HydrophobicContact CD1-CD1 3.97Å; L13-L20 HydrophobicContact CD1-CD2 3.94Å; L13-L20 HydrophobicContact CD1-CG 4.22Å; L13-I27 HydrophobicContact CD1-CG1 4.16Å |
| 14 | L | 60.1 | Low | 62.4 | Low | 105 Ų | 105 | 86.6 Ų | 86.6 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | trans | -71.6 | 174.3 | 170.3 | -69.2 | 172 | 0 | 0 | 0 | 110.7 | L12 G16 N18 | L12-L14 HydrophobicContact CD2-CD2 4.23Å; L12-L14 HydrophobicContact CD2-CG 4.5Å; L12-L14 PolarHBondContact O-N 3.32Å; L12-L14 VanDerWaalsContact O-N 3.09Å; L14-G16 PolarHBondContact O-N 3.33Å; L14-N18 PolarHBondContact O-ND2 3.46Å | ||
| 15 | R | 56.1 | Low | 62.4 | Low | 220 Ų | 220 | 81.8 Ų | 81.8 | 83% | 0.83 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -70.2 | 97.3 | -173.3 | -161.8 | -177.7 | -167.4 | -149.7 | 2.3 | 110.8 | M1 | M1-R15 HydrophobicContact CE-CB 4.34Š|
| 16 | G | 63.9 | Low | 62.7 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 179.9 | -173.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L14 N18 | L14-G16 PolarHBondContact O-N 3.33Å; G16-N18 PolarHBondContact O-N 3.43Å; G16-N18 PolarHBondContact O-ND2 3.06Å; G16-N18 VanDerWaalsContact O-ND2 3.16Å |
| 17 | L | 62.2 | Low | 63 | Low | 170 Ų | 170 | 94 Ų | 94 | 89% | 0.89 | 51% | 0.508 | S | S | * | . | trans | -74.4 | 110.8 | 170.9 | -175.7 | 72.2 | 0 | 0 | 0 | 108.8 | ||||
| 18 | N | 66.5 | Low | 63.7 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | trans | -111.1 | 121.3 | 179.3 | -67.3 | -68.4 | 0 | 0 | 0 | 109.1 | L13 L14 G16 L20 | L13-N18 HydrophobicContact CD2-CB 4.04Å; L14-N18 PolarHBondContact O-ND2 3.46Å; G16-N18 PolarHBondContact O-N 3.43Å; G16-N18 PolarHBondContact O-ND2 3.06Å; G16-N18 VanDerWaalsContact O-ND2 3.16Å; N18-L20 HydrophobicContact CB-CD1 3.94Å; N18-L20 WeakPolarHBondContact O-CD1 3.23Å | ||
| 19 | I | 68.6 | Low | 64.4 | Low | 155 Ų | 155 | 95.4 Ų | 95.4 | 80% | 0.795 | 50% | 0.498 | S | S | * | . | trans | -91.8 | 116.1 | 175.4 | -58.4 | 175.3 | 0 | 0 | 0 | 107.6 | ||||
| 20 | L | 67.9 | Low | 65.1 | Low | 52 Ų | 52 | 94.5 Ų | 94.5 | 27% | 0.272 | 49% | 0.492 | S | S | . | . | trans | -108.3 | 140.9 | 177.2 | -73.5 | 78.3 | 0 | 0 | 0 | 109.6 | L13 N18 P22 D25 I27 | L13-L20 HydrophobicContact CD1-CD1 3.97Å; L13-L20 HydrophobicContact CD1-CD2 3.94Å; L13-L20 HydrophobicContact CD1-CG 4.22Å; N18-L20 HydrophobicContact CB-CD1 3.94Å; N18-L20 WeakPolarHBondContact O-CD1 3.23Å; L20-P22 WeakPolarHBondContact O-CD 3.45Å; L20-D25 HydrophobicContact CB-CB 4.07Å; L20-D25 HydrophobicContact CD2-CB 4.19Å; L20-D25 HydrophobicContact CG-CB 4.27Å; L20-I27 HydrophobicContact CD2-CD1 3.76Å; L20-I27 HydrophobicContact CD2-CG1 3.58Å | ||
| 21 | I | 74.3 | Confident | 66 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | trans | -86 | 113.4 | 175 | -60.3 | 175.2 | 0 | 0 | 0 | 108.4 | V23 L24 D25 | I21-V23 PolarHBondContact O-N 2.92Å; I21-L24 HydrophobicContact CB-CB 4.45Å; I21-L24 HydrophobicContact CG2-CB 4.37Å; I21-L24 HydrophobicContact CG2-CD1 4.28Å; I21-L24 HydrophobicContact CG2-CG 4.36Å; I21-L24 PolarHBondContact O-N 2.89Å; I21-L24 VanDerWaalsContact O-N 3.1Å; I21-D25 PolarHBondContact N-OD2 3.11Å; I21-D25 PolarHBondContact O-N 3.01Å | ||
| 22 | P | 65.8 | Low | 66.9 | Low | 121 Ų | 121 | 94 Ų | 94 | 79% | 0.786 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.5 | -165.9 | -27.3 | 35.7 | 0 | 0 | 0 | 116.7 | L20 | L20-P22 WeakPolarHBondContact O-CD 3.45Š|
| 23 | V | 69.9 | Low | 68.1 | Low | 129 Ų | 129 | 93 Ų | 93 | 78% | 0.782 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -32.2 | -178.6 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | I21 | I21-V23 PolarHBondContact O-N 2.92Š|
| 24 | L | 67 | Low | 69.2 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -41.7 | -174.9 | -65.3 | 173.8 | 0 | 0 | 0 | 112.2 | G8 I21 | G8-L24 WeakPolarHBondContact CA-O 3.33Å; I21-L24 HydrophobicContact CB-CB 4.45Å; I21-L24 HydrophobicContact CG2-CB 4.37Å; I21-L24 HydrophobicContact CG2-CD1 4.28Å; I21-L24 HydrophobicContact CG2-CG 4.36Å; I21-L24 PolarHBondContact O-N 2.89Å; I21-L24 VanDerWaalsContact O-N 3.1Å |
| 25 | D | 62.9 | Low | 70.6 | Confident | 17 Ų | 17 | 97.7 Ų | 97.7 | 9% | 0.091 | 49% | 0.49 | C | S | . | . | trans | -95 | 104.8 | -175.6 | -68.7 | -54.6 | 0 | 0 | 0 | 111.8 | A6 T9 L20 I21 | A6-D25 HydrophobicContact CB-CB 4.23Å; T9-D25 WeakPolarHBondContact CB-OD1 3.41Å; T9-D25 WeakPolarHBondContact CG2-OD1 3.37Å; T9-D25 PolarHBondContact N-OD1 3.19Å; T9-D25 PolarHBondContact OG1-OD1 3.29Å; L20-D25 HydrophobicContact CB-CB 4.07Å; L20-D25 HydrophobicContact CD2-CB 4.19Å; L20-D25 HydrophobicContact CG-CB 4.27Å; I21-D25 PolarHBondContact N-OD2 3.11Å; I21-D25 PolarHBondContact O-N 3.01Å | ||
| 26 | R | 66.6 | Low | 72.2 | Confident | 191 Ų | 191 | 88.7 Ų | 88.7 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | trans | -100.2 | 122.5 | 161.4 | -59.4 | -165.5 | -164.4 | -159.1 | 7.2 | 110.1 | R7 R28 | R7-R26 PolarHBondContact N-O 3.22Å; R26-R28 PolarHBondContact O-N 3.46Å | ||
| 27 | I | 65.9 | Low | 73.7 | Confident | 68 Ų | 68 | 90 Ų | 90 | 35% | 0.349 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 125.1 | 164.6 | -61.9 | 160.4 | 0 | 0 | 0 | 107.1 | R4 L13 L20 V30 | R4-I27 HydrophobicContact CB-CG2 4.04Å; R4-I27 HydrophobicContact CG-CG2 4.1Å; L13-I27 HydrophobicContact CD1-CG1 4.16Å; L20-I27 HydrophobicContact CD2-CD1 3.76Å; L20-I27 HydrophobicContact CD2-CG1 3.58Å; I27-V30 HydrophobicContact CG2-CG2 4.16Å |
| 28 | R | 66.4 | Low | 75.2 | Confident | 146 Ų | 146 | 83 Ų | 83 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -44.5 | 175.5 | 179.3 | 166.8 | -73.4 | -121.1 | 0.5 | 113.1 | A5 R7 R26 | A5-R28 PolarHBondContact O-N 3.12Å; A5-R28 VanDerWaalsContact O-N 3.14Å; R7-R28 VanDerWaalsContact CZ-CZ 3.49Å; R7-R28 VanDerWaalsContact CZ-NE 3.27Å; R26-R28 PolarHBondContact O-N 3.46Å |
| 29 | Y | 69.8 | Low | 76.5 | Confident | 66 Ų | 66 | 85.4 Ų | 85.4 | 26% | 0.259 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.9 | -176.8 | -52.5 | -83.8 | 0 | 0 | 0 | 109.4 | R4 A5 S70 Y71 | R4-Y29 VanDerWaalsContact CA-O 3.31Å; R4-Y29 WeakPolarHBondContact CA-O 3.5Å; A5-Y29 HydrophobicContact CB-CD2 4.31Å; A5-Y29 PolarHBondContact N-O 3.42Å; Y29-S70 WeakPolarHBondContact CB-OG 3.36Å; Y29-Y71 HydrophobicContact CE2-CE1 4.43Å |
| 30 | V | 71.6 | Confident | 77.7 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 95 | 179.1 | -171 | 0 | 0 | 0 | 0 | 107.6 | L2 A3 R4 I27 | L2-V30 HydrophobicContact CB-CG1 4.06Å; L2-V30 HydrophobicContact CD1-CG1 4.02Å; L2-V30 HydrophobicContact CD2-CG1 4.27Å; L2-V30 HydrophobicContact CG-CG1 4.33Å; A3-V30 CarbonylContact O-C 3.25Å; A3-V30 WeakPolarHBondContact O-CA 3.38Å; R4-V30 HydrophobicContact CG-CG1 4.1Å; R4-V30 HydrophobicContact CG-CG2 4.17Å; I27-V30 HydrophobicContact CG2-CG2 4.16Å |
| 31 | Q | 77.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 78.8 Ų | 78.8 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.4 | -174 | -65.3 | -61.4 | -1 | 0 | 0 | 111.6 | L2 A3 I63 P66 A69 | L2-Q31 CarbonylContact C-O 3.44Å; L2-Q31 WeakPolarHBondContact CA-O 3.49Å; A3-Q31 PolarHBondContact N-O 3.44Å; A3-Q31 PolarHBondContact O-N 2.91Å; Q31-I63 HydrophobicContact CB-CD1 3.85Å; Q31-I63 HydrophobicContact CG-CD1 4.21Å; Q31-I63 VanDerWaalsContact OE1-CD1 3.23Å; Q31-P66 HydrophobicContact CB-CB 4.34Å; Q31-A69 PolarHBondContact NE2-O 2.91Å |
| 32 | S | 79.1 | Confident | 79.7 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 25% | 0.245 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125.6 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | K34 | S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact OG-N 3.27Å |
| 33 | L | 83.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | trans | -86.4 | 4.1 | 174.3 | -70.4 | 173.7 | 0 | 0 | 0 | 113.4 | M1 A3 R62 I63 P66 | M1-L33 HydrophobicContact CB-CB 4.41Å; M1-L33 HydrophobicContact CE-CD1 4.15Å; M1-L33 HydrophobicContact CG-CD1 4.15Å; M1-L33 PolarHBondContact O-N 3.42Å; A3-L33 HydrophobicContact CB-CD1 4.32Å; A3-L33 HydrophobicContact CB-CG 4.42Å; L33-R62 PolarHBondContact O-NE 2.85Å; L33-I63 WeakPolarHBondContact CD2-O 3.25Å; L33-P66 HydrophobicContact CD2-CG 3.61Å; L33-P66 HydrophobicContact CG-CG 4.4Å | ||
| 34 | K | 87.5 | Confident | 81.9 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -79.4 | 162.9 | 173.1 | -67.6 | -172.6 | 171.8 | -171.4 | 0 | 110.1 | S32 I36 | S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact OG-N 3.27Å; K34-I36 PolarHBondContact O-N 3.5Å |
| 35 | E | 89.4 | Confident | 83.1 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 131.1 | 161.6 | -171.2 | 166.9 | 179.6 | 0 | 0 | 108.7 | Y60 L61 L127 R128 | E35-Y60 WeakPolarHBondContact OE1-CD1 3.33Å; E35-L61 CarbonylContact C-O 3.5Å; E35-L61 WeakPolarHBondContact CA-O 3.37Å; E35-L127 HydrophobicContact CB-CD1 4.49Å; E35-L127 HydrophobicContact CG-CD1 3.91Å; E35-R128 IonicContact OE1-CZ 3.86Å; E35-R128 IonicContact OE1-NE 3.77Å; E35-R128 IonicContact OE1-NH2 3.03Å; E35-R128 PolarHBondContact OE1-NH2 3.1Å |
| 36 | I | 90.4 | Very high | 84.6 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.8 | 174.6 | 64.5 | 176.8 | 0 | 0 | 0 | 108.4 | K34 I38 L61 E77 | K34-I36 PolarHBondContact O-N 3.5Å; I36-I38 HydrophobicContact CD1-CD1 4.2Å; I36-L61 HydrophobicContact CD1-CB 4.22Å; I36-L61 HydrophobicContact CD1-CD1 4.5Å; I36-L61 HydrophobicContact CG1-CB 3.76Å; I36-L61 PolarHBondContact N-O 3.27Å; I36-L61 PolarHBondContact O-N 2.82Å; I36-E77 HydrophobicContact CD1-CG 3.96Å |
| 37 | V | 94.1 | Very high | 85.9 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.4 | -176.7 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | V58 Y60 | V37-V58 HydrophobicContact CG1-CG1 3.28Å; V37-Y60 HydrophobicContact CG1-CE1 4.23Å; V37-Y60 HydrophobicContact CG2-CD1 3.77Å; V37-Y60 HydrophobicContact CG2-CE1 3.76Å |
| 38 | I | 93.5 | Very high | 87.2 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.4 | -178.6 | -51.8 | -172.4 | 0 | 0 | 0 | 108.9 | I36 L59 L61 E77 T81 | I36-I38 HydrophobicContact CD1-CD1 4.2Å; I38-L59 PolarHBondContact N-O 3.42Å; I38-L59 PolarHBondContact O-N 3.38Å; I38-L61 HydrophobicContact CD1-CD1 3.65Å; I38-L61 HydrophobicContact CG1-CD1 4.33Å; I38-E77 HydrophobicContact CD1-CB 3.67Å; I38-E77 HydrophobicContact CD1-CG 3.82Å; I38-T81 WeakPolarHBondContact CG2-OG1 3.38Å |
| 39 | N | 93.9 | Very high | 88.4 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124 | 173.6 | -60.6 | -41.3 | 0 | 0 | 0 | 109.2 | ||
| 40 | V | 94 | Very high | 89.5 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.3 | 170.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | G57 L59 A84 Q85 Y129 | V40-G57 PolarHBondContact N-O 3.12Å; V40-L59 HydrophobicContact CG2-CB 4.15Å; V40-A84 HydrophobicContact CG2-CB 4.16Å; V40-Q85 HydrophobicContact CG1-CG 3.66Å; V40-Y129 HydrophobicContact CG2-CE2 4.05Å |
| 41 | P | 92.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 152.9 | -178 | 28.8 | -36 | 0 | 0 | 0 | 110.9 | Q43 | P41-Q43 PolarHBondContact O-N 2.97Å |
| 42 | E | 92.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 63.2 Ų | 63.2 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 134.1 | 179.3 | -172.4 | 172.3 | -143 | 0 | 0 | 111.5 | Q54 I55 D56 H135 | E42-Q54 HydrophobicContact CG-CB 3.87Å; E42-Q54 VanDerWaalsContact OE1-CB 3.25Å; E42-Q54 WeakPolarHBondContact OE1-CB 3.29Å; E42-I55 WeakPolarHBondContact CA-O 3.45Å; E42-D56 HydrophobicContact CB-CB 4.12Å; E42-H135 IonicContact OE1-CE1 3.63Å; E42-H135 IonicContact OE1-CG 3.83Å; E42-H135 IonicContact OE1-ND1 2.79Å; E42-H135 PolarHBondContact OE1-ND1 2.94Å |
| 43 | Q | 89.2 | Confident | 91.7 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.7 | 177.8 | -64.5 | -65.6 | -73.3 | 0 | 0 | 110.9 | P41 Q54 I55 Q85 M88 | P41-Q43 PolarHBondContact O-N 2.97Å; Q43-Q54 WeakPolarHBondContact O-CA 3.43Å; Q43-I55 PolarHBondContact N-O 3.32Å; Q43-I55 PolarHBondContact O-N 3.48Å; Q43-Q85 HydrophobicContact CG-CB 4.17Å; Q43-Q85 HydrophobicContact CG-CG 3.91Å; Q43-M88 HydrophobicContact CB-CE 4.07Å; Q43-M88 HydrophobicContact CG-CE 4.25Å |
| 44 | S | 92.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.2 | 165.7 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | L53 R89 | S44-L53 WeakPolarHBondContact CA-O 3.46Å; S44-R89 PolarHBondContact O-NE 3.1Å |
| 45 | A | 91.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T52 L53 R89 L92 | A45-T52 WeakPolarHBondContact O-CA 3.37Å; A45-L53 PolarHBondContact N-O 3.32Å; A45-L53 PolarHBondContact O-N 2.99Å; A45-R89 HydrophobicContact CB-CG 4.21Å; A45-L92 HydrophobicContact CB-CD2 3.48Å; A45-L92 VanDerWaalsContact CB-CD2 3.48Å; A45-L92 HydrophobicContact CB-CG 4.35Å |
| 46 | V | 94.1 | Very high | 92.6 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.7 | -179.7 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | V51 T52 G93 | V46-V51 WeakPolarHBondContact CA-O 3.18Å; V46-T52 HydrophobicContact CG2-CG2 3.91Å; V46-G93 WeakPolarHBondContact O-CA 3.33Å |
| 47 | T | 93.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | trans | -80 | 171.1 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | D49 N50 V51 L53 L92 L95 L97 | T47-D49 PolarHBondContact O-N 3.4Å; T47-D49 VanDerWaalsContact O-N 3.14Å; T47-N50 PolarHBondContact O-N 2.98Å; T47-V51 PolarHBondContact N-O 3.26Å; T47-V51 PolarHBondContact OG1-N 3.48Å; T47-V51 PolarHBondContact OG1-O 3.36Å; T47-L53 HydrophobicContact CG2-CD2 3.58Å; T47-L53 HydrophobicContact CG2-CG 4.41Å; T47-L92 HydrophobicContact CG2-CD1 4.23Å; T47-L95 WeakPolarHBondContact CB-O 3.49Å; T47-L97 HydrophobicContact CG2-CB 4.48Å; T47-L97 HydrophobicContact CG2-CD1 4.27Å | ||
| 48 | L | 94.1 | Very high | 92.8 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.5 | 174.4 | -175 | 65.4 | 0 | 0 | 0 | 113.1 | N50 L95 | L48-N50 PolarHBondContact O-N 3.1Å; L48-L95 WeakPolarHBondContact CB-O 3.4Å; L48-L95 PolarHBondContact N-O 3.33Å |
| 49 | D | 92.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 13.1 | 179.3 | -41.5 | -55.7 | 0 | 0 | 0 | 113.4 | T47 V51 S96 L97 | T47-D49 PolarHBondContact O-N 3.4Å; T47-D49 VanDerWaalsContact O-N 3.14Å; D49-V51 HydrophobicContact CB-CG2 4.38Å; D49-V51 PolarHBondContact O-N 3.01Å; D49-S96 WeakPolarHBondContact OD1-CB 3.42Å; D49-S96 WeakPolarHBondContact OD2-CA 3.48Å; D49-S96 WeakPolarHBondContact OD2-CB 3.36Å; D49-L97 PolarHBondContact OD2-N 2.97Å |
| 50 | N | 91.3 | Very high | 93 | Very high | 137 Ų | 137 | 47 Ų | 47 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 59.2 | 29.3 | -176.4 | -167.1 | 56.5 | 0 | 0 | 0 | 113.9 | T47 L48 | T47-N50 PolarHBondContact O-N 2.98Å; L48-N50 PolarHBondContact O-N 3.1Å |
| 51 | V | 91.1 | Very high | 93 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | trans | -92.3 | 122.7 | 173.3 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | V46 T47 D49 L97 V136 V140 | V46-V51 WeakPolarHBondContact CA-O 3.18Å; T47-V51 PolarHBondContact N-O 3.26Å; T47-V51 PolarHBondContact OG1-N 3.48Å; T47-V51 PolarHBondContact OG1-O 3.36Å; D49-V51 HydrophobicContact CB-CG2 4.38Å; D49-V51 PolarHBondContact O-N 3.01Å; V51-L97 HydrophobicContact CG1-CD1 4.34Å; V51-L97 HydrophobicContact CG1-CD2 4.18Å; V51-L97 HydrophobicContact CG2-CD2 4.38Å; V51-V136 HydrophobicContact CG1-CG1 4.24Å; V51-V140 HydrophobicContact CG1-CG1 4.13Å; V51-V140 HydrophobicContact CG1-CG2 4.41Å; V51-V140 HydrophobicContact CG2-CG1 4.27Å | ||
| 52 | T | 92.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.5 | 167.2 | 42.2 | 0 | 0 | 0 | 0 | 110.2 | A45 V46 P137 | A45-T52 WeakPolarHBondContact O-CA 3.37Å; V46-T52 HydrophobicContact CG2-CG2 3.91Å; T52-P137 WeakPolarHBondContact O-CD 3.3Å; T52-P137 WeakPolarHBondContact O-CG 3.38Å |
| 53 | L | 92.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.4 | 172.4 | 71.5 | 77.8 | 0 | 0 | 0 | 110.6 | S44 A45 T47 I55 L92 L97 I134 H135 V136 | S44-L53 WeakPolarHBondContact CA-O 3.46Å; A45-L53 PolarHBondContact N-O 3.32Å; A45-L53 PolarHBondContact O-N 2.99Å; T47-L53 HydrophobicContact CG2-CD2 3.58Å; T47-L53 HydrophobicContact CG2-CG 4.41Å; L53-I55 HydrophobicContact CD1-CB 3.78Å; L53-I55 HydrophobicContact CD1-CG2 3.79Å; L53-L92 HydrophobicContact CD1-CD2 3.66Å; L53-L92 HydrophobicContact CD2-CD1 4.38Å; L53-L92 HydrophobicContact CD2-CD2 4.45Å; L53-L92 HydrophobicContact CG-CD2 4.24Å; L53-L97 HydrophobicContact CD2-CD1 3.66Å; L53-I134 HydrophobicContact CD1-CG2 4Å; L53-I134 HydrophobicContact CD2-CG2 4.1Å; L53-I134 HydrophobicContact CG-CG2 4.5Å; L53-H135 WeakPolarHBondContact CA-O 3.47Å; L53-H135 WeakPolarHBondContact CB-O 3.47Å; L53-V136 HydrophobicContact CB-CG2 4.29Å |
| 54 | Q | 93.3 | Very high | 92.8 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.6 | 173.4 | -51.8 | 166.4 | -81.8 | 0 | 0 | 108.5 | E42 Q43 I134 H135 | E42-Q54 HydrophobicContact CG-CB 3.87Å; E42-Q54 VanDerWaalsContact OE1-CB 3.25Å; E42-Q54 WeakPolarHBondContact OE1-CB 3.29Å; Q43-Q54 WeakPolarHBondContact O-CA 3.43Å; Q54-I134 CarbonylContact O-C 3.6Å; Q54-H135 HydrophobicContact CB-CB 4.22Å; Q54-H135 PolarHBondContact N-O 3.29Å; Q54-H135 PolarHBondContact O-N 3.36Å |
| 55 | I | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 136.8 | -173.1 | 179.7 | 167.7 | 0 | 0 | 0 | 109.8 | E42 Q43 L53 M88 L92 I131 D133 I134 | E42-I55 WeakPolarHBondContact CA-O 3.45Å; Q43-I55 PolarHBondContact N-O 3.32Å; Q43-I55 PolarHBondContact O-N 3.48Å; L53-I55 HydrophobicContact CD1-CB 3.78Å; L53-I55 HydrophobicContact CD1-CG2 3.79Å; I55-M88 HydrophobicContact CG2-CE 3.76Å; I55-M88 HydrophobicContact CG2-SD 3.4Å; I55-M88 WeakPolarHBondContact CG2-SD 3.35Å; I55-L92 HydrophobicContact CD1-CD2 4.49Å; I55-L92 HydrophobicContact CG2-CD2 3.89Å; I55-I131 HydrophobicContact CD1-CD1 4.26Å; I55-I131 HydrophobicContact CD1-CG1 4.14Å; I55-I131 HydrophobicContact CD1-CG2 3.76Å; I55-I131 HydrophobicContact CG1-CG2 4Å; I55-D133 WeakPolarHBondContact CA-O 3.37Å; I55-I134 HydrophobicContact CD1-CD1 4.31Å; I55-I134 HydrophobicContact CD1-CG1 4.11Å; I55-I134 HydrophobicContact CG1-CG1 4.26Å |
| 56 | D | 93.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 169.3 | 171.9 | 80.1 | -23.3 | 0 | 0 | 0 | 111 | E42 K132 D133 | E42-D56 HydrophobicContact CB-CB 4.12Å; D56-K132 PolarHBondContact O-N 3.06Å; D56-K132 WeakPolarHBondContact OD1-CB 3.33Å; D56-K132 IonicContact OD1-NZ 3.55Å; D56-K132 IonicContact OD2-NZ 2.69Å; D56-K132 PolarHBondContact OD2-NZ 3.3Å; D56-D133 PolarHBondContact N-O 3.04Å; D56-D133 WeakPolarHBondContact OD1-CB 3.17Å; D56-D133 PolarHBondContact OD1-N 2.84Å |
| 57 | G | 93.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V40 E130 | V40-G57 PolarHBondContact N-O 3.12Å; G57-E130 CarbonylContact C-O 3.56Å; G57-E130 WeakPolarHBondContact CA-O 3.35Å |
| 58 | V | 95.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.2 | -178.8 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | V37 Y60 E130 | V37-V58 HydrophobicContact CG1-CG1 3.28Å; V58-Y60 HydrophobicContact CB-CE2 4.15Å; V58-Y60 HydrophobicContact CG1-CD2 4.25Å; V58-Y60 HydrophobicContact CG1-CE2 3.67Å; V58-E130 PolarHBondContact N-O 2.89Å; V58-E130 PolarHBondContact O-N 3.36Å |
| 59 | L | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127 | -175.1 | -172.6 | 67.9 | 0 | 0 | 0 | 109.6 | I38 V40 L61 V80 A84 I115 C126 Y129 | I38-L59 PolarHBondContact N-O 3.42Å; I38-L59 PolarHBondContact O-N 3.38Å; V40-L59 HydrophobicContact CG2-CB 4.15Å; L59-L61 HydrophobicContact CD1-CD2 4.25Å; L59-L61 HydrophobicContact CD2-CD1 4.08Å; L59-L61 HydrophobicContact CD2-CD2 3.81Å; L59-L61 HydrophobicContact CD2-CG 4.07Å; L59-L61 HydrophobicContact CG-CD1 4.43Å; L59-L61 HydrophobicContact CG-CD2 3.72Å; L59-L61 HydrophobicContact CG-CG 3.93Å; L59-V80 HydrophobicContact CD2-CG1 3.55Å; L59-A84 HydrophobicContact CD2-CB 4Å; L59-I115 HydrophobicContact CD1-CD1 3.89Å; L59-C126 HydrophobicContact CD1-CB 4.48Å; L59-C126 WeakPolarHBondContact CD1-SG 3.46Å; L59-Y129 HydrophobicContact CB-CD2 4.43Å; L59-Y129 HydrophobicContact CD1-CD2 3.88Å |
| 60 | Y | 95.3 | Very high | 90.6 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110.5 | -178.8 | -66.5 | -108.2 | 0 | 0 | 0 | 108.6 | E35 V37 V58 L127 R128 E130 | E35-Y60 WeakPolarHBondContact OE1-CD1 3.33Å; V37-Y60 HydrophobicContact CG1-CE1 4.23Å; V37-Y60 HydrophobicContact CG2-CD1 3.77Å; V37-Y60 HydrophobicContact CG2-CE1 3.76Å; V58-Y60 HydrophobicContact CB-CE2 4.15Å; V58-Y60 HydrophobicContact CG1-CD2 4.25Å; V58-Y60 HydrophobicContact CG1-CE2 3.67Å; Y60-L127 PolarHBondContact O-N 2.77Å; Y60-R128 HydrophobicContact CD1-CG 4.44Å; Y60-R128 HydrophobicContact CD2-CG 3.49Å; Y60-R128 VanDerWaalsContact CD2-CG 3.49Å; Y60-R128 HydrophobicContact CE2-CG 4.28Å; Y60-R128 HydrophobicContact CG-CG 3.59Å; Y60-R128 PolarHBondContact N-O 3.12Å; Y60-E130 HydrophobicContact CD2-CG 4.47Å; Y60-E130 HydrophobicContact CE2-CB 4.46Å; Y60-E130 HydrophobicContact CE2-CG 3.9Å |
| 61 | L | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 155.4 | -172.6 | -58.8 | 173.8 | 0 | 0 | 0 | 111.3 | E35 I36 I38 L59 V80 I124 R125 C126 | E35-L61 CarbonylContact C-O 3.5Å; E35-L61 WeakPolarHBondContact CA-O 3.37Å; I36-L61 HydrophobicContact CD1-CB 4.22Å; I36-L61 HydrophobicContact CD1-CD1 4.5Å; I36-L61 HydrophobicContact CG1-CB 3.76Å; I36-L61 PolarHBondContact N-O 3.27Å; I36-L61 PolarHBondContact O-N 2.82Å; I38-L61 HydrophobicContact CD1-CD1 3.65Å; I38-L61 HydrophobicContact CG1-CD1 4.33Å; L59-L61 HydrophobicContact CD1-CD2 4.25Å; L59-L61 HydrophobicContact CD2-CD1 4.08Å; L59-L61 HydrophobicContact CD2-CD2 3.81Å; L59-L61 HydrophobicContact CD2-CG 4.07Å; L59-L61 HydrophobicContact CG-CD1 4.43Å; L59-L61 HydrophobicContact CG-CD2 3.72Å; L59-L61 HydrophobicContact CG-CG 3.93Å; L61-V80 HydrophobicContact CD1-CB 4.22Å; L61-V80 HydrophobicContact CD1-CG1 3.7Å; L61-V80 HydrophobicContact CD2-CG1 3.76Å; L61-V80 HydrophobicContact CG-CG1 4.37Å; L61-I124 HydrophobicContact CB-CG2 4.09Å; L61-I124 HydrophobicContact CD1-CG2 4.34Å; L61-I124 HydrophobicContact CD2-CG2 4.07Å; L61-I124 HydrophobicContact CG-CG2 4.41Å; L61-R125 CarbonylContact C-O 3.53Å; L61-R125 WeakPolarHBondContact CA-O 3.26Å; L61-C126 HydrophobicContact CD2-CB 4.05Å |
| 62 | R | 91.8 | Very high | 89.8 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 44% | 0.438 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.7 | 166.3 | -175.4 | 173.6 | 178.1 | -172.7 | -7.3 | 110.6 | L33 M64 R125 L127 | L33-R62 PolarHBondContact O-NE 2.85Å; R62-M64 HydrophobicContact CG-SD 4.38Å; R62-M64 PolarHBondContact O-N 3.02Å; R62-R125 PolarHBondContact N-O 3.38Å; R62-R125 PolarHBondContact O-N 3.42Å; R62-L127 HydrophobicContact CB-CD1 4.12Å; R62-L127 HydrophobicContact CB-CG 4.36Å |
| 63 | I | 90.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.1 | 170.7 | -58.9 | 177.9 | 0 | 0 | 0 | 108 | Q31 L33 P66 A69 | Q31-I63 HydrophobicContact CB-CD1 3.85Å; Q31-I63 HydrophobicContact CG-CD1 4.21Å; Q31-I63 VanDerWaalsContact OE1-CD1 3.23Å; L33-I63 WeakPolarHBondContact CD2-O 3.25Å; I63-P66 HydrophobicContact CG2-CB 4.5Å; I63-P66 HydrophobicContact CG2-CG 4.2Å; I63-A69 HydrophobicContact CD1-CB 4.39Å; I63-A69 HydrophobicContact CG2-CB 3.72Å |
| 64 | M | 89.2 | Confident | 89 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -94.3 | -39.4 | 177.5 | -66.4 | -61.2 | -64.4 | 0 | 0 | 111 | R62 G123 R125 | R62-M64 HydrophobicContact CG-SD 4.38Å; R62-M64 PolarHBondContact O-N 3.02Å; M64-G123 PolarHBondContact N-O 3.26Å; M64-R125 HydrophobicContact CG-CB 3.81Å |
| 65 | D | 87.8 | Confident | 88.7 | Confident | 50 Ų | 50 | 51 Ų | 51 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | trans | -124.5 | 99.2 | 178.1 | -176.6 | -10.8 | 0 | 0 | 0 | 110.6 | Y67 K68 A69 G123 | D65-Y67 PolarHBondContact O-N 3.43Å; D65-Y67 WeakPolarHBondContact OD1-CA 3.49Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.45Å; D65-Y67 PolarHBondContact OD1-N 3.24Å; D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 HydrophobicContact CB-CD 4.23Å; D65-K68 HydrophobicContact CB-CG 4.41Å; D65-K68 PolarHBondContact O-N 3.43Å; D65-K68 PolarHBondContact OD1-N 3.32Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 VanDerWaalsContact OD2-CG 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.24Å; D65-A69 WeakPolarHBondContact O-CB 3.43Å; D65-A69 PolarHBondContact O-N 2.91Å; D65-G123 PolarHBondContact N-O 3.18Å | ||
| 66 | P | 84.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -18 | 177.5 | -24.1 | 35.1 | 0 | 0 | 0 | 114.8 | A3 L12 Q31 L33 I63 S70 | A3-P66 HydrophobicContact CB-CB 3.59Å; A3-P66 HydrophobicContact CB-CG 3.5Å; L12-P66 HydrophobicContact CD2-CB 4.25Å; L12-P66 HydrophobicContact CD2-CG 4.5Å; Q31-P66 HydrophobicContact CB-CB 4.34Å; L33-P66 HydrophobicContact CD2-CG 3.61Å; L33-P66 HydrophobicContact CG-CG 4.4Å; I63-P66 HydrophobicContact CG2-CB 4.5Å; I63-P66 HydrophobicContact CG2-CG 4.2Å; P66-S70 VanDerWaalsContact O-CB 3.25Å; P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.63Å; P66-S70 VanDerWaalsContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 3.11Å |
| 67 | Y | 84.8 | Confident | 88 | Confident | 118 Ų | 118 | 54.6 Ų | 54.6 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.2 | -56.5 | 176 | -172.6 | -106.7 | 0 | 0 | 0 | 109.5 | L12 D65 A69 S70 Y71 | L12-Y67 HydrophobicContact CD1-CD2 3.67Å; L12-Y67 HydrophobicContact CD1-CG 4.1Å; D65-Y67 PolarHBondContact O-N 3.43Å; D65-Y67 WeakPolarHBondContact OD1-CA 3.49Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.45Å; D65-Y67 PolarHBondContact OD1-N 3.24Å; Y67-A69 VanDerWaalsContact C-N 3.27Å; Y67-A69 PolarHBondContact O-N 3.05Å; Y67-S70 PolarHBondContact O-N 2.7Å; Y67-Y71 AromaticContact CD2-CD2 3.73Å; Y67-Y71 HydrophobicContact CD2-CD2 3.73Å; Y67-Y71 AromaticContact CD2-CE2 3.92Å; Y67-Y71 HydrophobicContact CD2-CE2 3.92Å; Y67-Y71 AromaticContact CE2-CD2 3.66Å; Y67-Y71 HydrophobicContact CE2-CD2 3.66Å; Y67-Y71 AromaticContact CE2-CE2 3.75Å; Y67-Y71 HydrophobicContact CE2-CE2 3.75Å; Y67-Y71 HydrophobicContact CG-CD2 4.34Å; Y67-Y71 WeakPolarHBondContact O-CD2 3.32Å; Y67-Y71 PolarHBondContact O-N 3.46Å |
| 68 | K | 86.3 | Confident | 87.9 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 175.3 | -68.4 | 177.6 | -173.5 | -175 | 0 | 111.8 | D65 S70 G72 W122 | D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 HydrophobicContact CB-CD 4.23Å; D65-K68 HydrophobicContact CB-CG 4.41Å; D65-K68 PolarHBondContact O-N 3.43Å; D65-K68 PolarHBondContact OD1-N 3.32Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 VanDerWaalsContact OD2-CG 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.24Å; K68-S70 VanDerWaalsContact C-N 3.28Å; K68-S70 PolarHBondContact O-N 3.03Å; K68-G72 VanDerWaalsContact O-CA 3.27Å; K68-G72 WeakPolarHBondContact O-CA 3.39Å; K68-G72 PolarHBondContact O-N 2.93Å; K68-W122 CarbonylContact C-O 3.58Å; K68-W122 VanDerWaalsContact C-O 3.25Å |
| 69 | A | 85.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72 | -17 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q31 I63 D65 Y67 P76 W122 | Q31-A69 PolarHBondContact NE2-O 2.91Å; I63-A69 HydrophobicContact CD1-CB 4.39Å; I63-A69 HydrophobicContact CG2-CB 3.72Å; D65-A69 WeakPolarHBondContact O-CB 3.43Å; D65-A69 PolarHBondContact O-N 2.91Å; Y67-A69 VanDerWaalsContact C-N 3.27Å; Y67-A69 PolarHBondContact O-N 3.05Å; A69-P76 WeakPolarHBondContact O-CG 3.23Å; A69-W122 WeakPolarHBondContact CA-O 3.43Å; A69-W122 WeakPolarHBondContact CB-O 3.44Å; A69-W122 PolarHBondContact N-O 3.44Å |
| 70 | S | 82.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -99.1 | -20.2 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | Y29 P66 Y67 K68 | Y29-S70 WeakPolarHBondContact CB-OG 3.36Å; P66-S70 VanDerWaalsContact O-CB 3.25Å; P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.63Å; P66-S70 VanDerWaalsContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 3.11Å; Y67-S70 PolarHBondContact O-N 2.7Å; K68-S70 VanDerWaalsContact C-N 3.28Å; K68-S70 PolarHBondContact O-N 3.03Å |
| 71 | Y | 83 | Confident | 87.4 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 37% | 0.373 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -126.5 | -17 | -173.3 | -68.5 | -74.4 | 0 | 0 | 0 | 114.6 | A5 A6 Y29 Y67 | A5-Y71 HydrophobicContact CB-CE2 4.1Å; A6-Y71 PolarHBondContact O-OH 3.36Å; Y29-Y71 HydrophobicContact CE2-CE1 4.43Å; Y67-Y71 AromaticContact CD2-CD2 3.73Å; Y67-Y71 HydrophobicContact CD2-CD2 3.73Å; Y67-Y71 AromaticContact CD2-CE2 3.92Å; Y67-Y71 HydrophobicContact CD2-CE2 3.92Å; Y67-Y71 AromaticContact CE2-CD2 3.66Å; Y67-Y71 HydrophobicContact CE2-CD2 3.66Å; Y67-Y71 AromaticContact CE2-CE2 3.75Å; Y67-Y71 HydrophobicContact CE2-CE2 3.75Å; Y67-Y71 HydrophobicContact CG-CD2 4.34Å; Y67-Y71 WeakPolarHBondContact O-CD2 3.32Å; Y67-Y71 PolarHBondContact O-N 3.46Å |
| 72 | G | 82.3 | Confident | 87.4 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -85.2 | -16.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K68 | K68-G72 VanDerWaalsContact O-CA 3.27Å; K68-G72 WeakPolarHBondContact O-CA 3.39Å; K68-G72 PolarHBondContact O-N 2.93Å |
| 73 | V | 84.6 | Confident | 87.5 | Confident | 37 Ų | 37 | 58 Ų | 58 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -158.9 | 151.6 | 177.1 | 63.3 | 0 | 0 | 0 | 0 | 110 | P76 A79 W122 | V73-P76 HydrophobicContact CG1-CB 3.58Å; V73-P76 HydrophobicContact CG1-CG 3.81Å; V73-A79 HydrophobicContact CG2-CB 3.65Å; V73-W122 HydrophobicContact CB-CG 4.28Å; V73-W122 HydrophobicContact CG1-CB 4.14Å; V73-W122 HydrophobicContact CG1-CD2 4.42Å; V73-W122 HydrophobicContact CG1-CG 3.9Å | ||
| 74 | E | 83.6 | Confident | 87.6 | Confident | 194 Ų | 194 | 57.7 Ų | 57.7 | 91% | 0.907 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -72 | -50.7 | -175.9 | -178.5 | 169.1 | -159.9 | 0 | 0 | 112.7 | ||
| 75 | D | 86.6 | Confident | 87.8 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | trans | -121.8 | 105.3 | 169.9 | -173.7 | -29 | 0 | 0 | 0 | 108.9 | E77 Y78 A79 | D75-E77 PolarHBondContact OD1-N 2.89Å; D75-Y78 VanDerWaalsContact CG-CB 3.41Å; D75-Y78 PolarHBondContact OD1-N 3.28Å; D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.33Å; D75-A79 PolarHBondContact O-N 2.87Å | ||
| 76 | P | 85.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.9 | -27.8 | -176.8 | -6.3 | 21.2 | 0 | 0 | 0 | 113.5 | A69 V73 V80 I124 | A69-P76 WeakPolarHBondContact O-CG 3.23Å; V73-P76 HydrophobicContact CG1-CB 3.58Å; V73-P76 HydrophobicContact CG1-CG 3.81Å; P76-V80 WeakPolarHBondContact O-CB 3.42Å; P76-V80 WeakPolarHBondContact O-CG2 3.49Å; P76-V80 PolarHBondContact O-N 3.49Å; P76-I124 HydrophobicContact CB-CD1 3.45Å; P76-I124 VanDerWaalsContact CB-CD1 3.45Å |
| 77 | E | 87.2 | Confident | 88.5 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.5 | -45.1 | 179.2 | -69.6 | -171.7 | -164.4 | 0 | 0 | 110.1 | I36 I38 D75 T81 | I36-E77 HydrophobicContact CD1-CG 3.96Å; I38-E77 HydrophobicContact CD1-CB 3.67Å; I38-E77 HydrophobicContact CD1-CG 3.82Å; D75-E77 PolarHBondContact OD1-N 2.89Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 2.94Å; E77-T81 PolarHBondContact O-OG1 2.89Å |
| 78 | Y | 90.5 | Very high | 88.9 | Confident | 142 Ų | 142 | 49.8 Ų | 49.8 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 173.8 | -179.6 | -105.5 | 0 | 0 | 0 | 112.4 | D75 V80 T81 Q82 | D75-Y78 VanDerWaalsContact CG-CB 3.41Å; D75-Y78 PolarHBondContact OD1-N 3.28Å; Y78-V80 PolarHBondContact O-N 2.88Å; Y78-T81 WeakPolarHBondContact O-CB 3.21Å; Y78-T81 PolarHBondContact O-N 3.47Å; Y78-T81 VanDerWaalsContact O-N 3.09Å; Y78-Q82 HydrophobicContact CD1-CG 4.29Å; Y78-Q82 HydrophobicContact CD2-CG 4.39Å; Y78-Q82 HydrophobicContact CE1-CG 3.85Å; Y78-Q82 HydrophobicContact CE2-CG 3.95Å; Y78-Q82 WeakPolarHBondContact O-CG 3.36Å; Y78-Q82 PolarHBondContact O-N 3.38Å |
| 79 | A | 91.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V73 D75 T81 Q82 L83 W122 | V73-A79 HydrophobicContact CG2-CB 3.65Å; D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.33Å; D75-A79 PolarHBondContact O-N 2.87Å; A79-T81 VanDerWaalsContact C-N 3.34Å; A79-Q82 PolarHBondContact O-N 3.18Å; A79-L83 WeakPolarHBondContact O-CB 3.34Å; A79-L83 PolarHBondContact O-N 2.9Å; A79-W122 HydrophobicContact CB-CH2 4.05Å; A79-W122 HydrophobicContact CB-CZ2 4.31Å; A79-W122 HydrophobicContact CB-CZ3 4.17Å |
| 80 | V | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 175 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L59 L61 P76 Y78 L83 A84 I115 A119 W122 I124 | L59-V80 HydrophobicContact CD2-CG1 3.55Å; L61-V80 HydrophobicContact CD1-CB 4.22Å; L61-V80 HydrophobicContact CD1-CG1 3.7Å; L61-V80 HydrophobicContact CD2-CG1 3.76Å; L61-V80 HydrophobicContact CG-CG1 4.37Å; P76-V80 WeakPolarHBondContact O-CB 3.42Å; P76-V80 WeakPolarHBondContact O-CG2 3.49Å; P76-V80 PolarHBondContact O-N 3.49Å; Y78-V80 PolarHBondContact O-N 2.88Å; V80-L83 PolarHBondContact O-N 3.36Å; V80-A84 WeakPolarHBondContact O-CB 3.28Å; V80-A84 PolarHBondContact O-N 3.12Å; V80-I115 HydrophobicContact CG1-CG2 4.33Å; V80-A119 HydrophobicContact CG2-CB 4.48Å; V80-W122 HydrophobicContact CG2-CE3 3.54Å; V80-W122 HydrophobicContact CG2-CZ3 3.67Å; V80-I124 HydrophobicContact CG2-CD1 3.68Å; V80-I124 HydrophobicContact CG2-CG2 4.42Å |
| 81 | T | 92.8 | Very high | 90 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | I38 E77 Y78 A79 A84 Q85 | I38-T81 WeakPolarHBondContact CG2-OG1 3.38Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 2.94Å; E77-T81 PolarHBondContact O-OG1 2.89Å; Y78-T81 WeakPolarHBondContact O-CB 3.21Å; Y78-T81 PolarHBondContact O-N 3.47Å; Y78-T81 VanDerWaalsContact O-N 3.09Å; A79-T81 VanDerWaalsContact C-N 3.34Å; T81-A84 PolarHBondContact O-N 3.48Å; T81-Q85 WeakPolarHBondContact O-CG 3.44Å; T81-Q85 PolarHBondContact O-N 2.92Å |
| 82 | Q | 93 | Very high | 90.4 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 176.3 | -66.5 | -55.7 | 107.8 | 0 | 0 | 112.5 | Y78 A79 T86 | Y78-Q82 HydrophobicContact CD1-CG 4.29Å; Y78-Q82 HydrophobicContact CD2-CG 4.39Å; Y78-Q82 HydrophobicContact CE1-CG 3.85Å; Y78-Q82 HydrophobicContact CE2-CG 3.95Å; Y78-Q82 WeakPolarHBondContact O-CG 3.36Å; Y78-Q82 PolarHBondContact O-N 3.38Å; A79-Q82 PolarHBondContact O-N 3.18Å; Q82-T86 PolarHBondContact O-N 2.96Å; Q82-T86 PolarHBondContact O-OG1 3.14Å |
| 83 | L | 92.9 | Very high | 90.9 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 170.5 | 175.3 | 64.6 | 0 | 0 | 0 | 110.6 | A79 V80 Q85 T86 T87 I115 A118 W122 | A79-L83 WeakPolarHBondContact O-CB 3.34Å; A79-L83 PolarHBondContact O-N 2.9Å; V80-L83 PolarHBondContact O-N 3.36Å; L83-Q85 PolarHBondContact O-N 2.97Å; L83-T86 PolarHBondContact O-N 2.97Å; L83-T86 VanDerWaalsContact O-N 3.08Å; L83-T87 WeakPolarHBondContact O-CB 3.35Å; L83-T87 PolarHBondContact O-N 3.35Å; L83-T87 PolarHBondContact O-OG1 3.42Å; L83-I115 HydrophobicContact CD2-CG2 4.21Å; L83-A118 HydrophobicContact CD1-CB 4.2Å; L83-A118 HydrophobicContact CD2-CB 3.76Å; L83-W122 HydrophobicContact CD2-CH2 4.28Å; L83-W122 HydrophobicContact CD2-CZ3 3.92Å |
| 84 | A | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V40 L59 V80 T81 T86 M88 I115 | V40-A84 HydrophobicContact CG2-CB 4.16Å; L59-A84 HydrophobicContact CD2-CB 4Å; V80-A84 WeakPolarHBondContact O-CB 3.28Å; V80-A84 PolarHBondContact O-N 3.12Å; T81-A84 PolarHBondContact O-N 3.48Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.11Å; A84-M88 WeakPolarHBondContact O-CB 3.39Å; A84-M88 PolarHBondContact O-N 3.27Å; A84-I115 HydrophobicContact CB-CD1 3.66Å; A84-I115 HydrophobicContact CB-CG1 4.42Å |
| 85 | Q | 93.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 173.8 | -69.2 | 168 | 27.7 | 0 | 0 | 112.5 | V40 Q43 T81 L83 R89 | V40-Q85 HydrophobicContact CG1-CG 3.66Å; Q43-Q85 HydrophobicContact CG-CB 4.17Å; Q43-Q85 HydrophobicContact CG-CG 3.91Å; T81-Q85 WeakPolarHBondContact O-CG 3.44Å; T81-Q85 PolarHBondContact O-N 2.92Å; L83-Q85 PolarHBondContact O-N 2.97Å; Q85-R89 WeakPolarHBondContact O-CB 3.34Å; Q85-R89 PolarHBondContact O-N 3.44Å; Q85-R89 VanDerWaalsContact O-N 3.12Å |
| 86 | T | 93.3 | Very high | 92 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.3 | -45.3 | -176.7 | -54 | 0 | 0 | 0 | 0 | 111.2 | Q82 L83 A84 R89 S90 | Q82-T86 PolarHBondContact O-N 2.96Å; Q82-T86 PolarHBondContact O-OG1 3.14Å; L83-T86 PolarHBondContact O-N 2.97Å; L83-T86 VanDerWaalsContact O-N 3.08Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.11Å; T86-R89 PolarHBondContact O-N 3.26Å; T86-S90 PolarHBondContact O-N 3.47Å |
| 87 | T | 94.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | L83 R89 S90 E91 I111 A114 I115 | L83-T87 WeakPolarHBondContact O-CB 3.35Å; L83-T87 PolarHBondContact O-N 3.35Å; L83-T87 PolarHBondContact O-OG1 3.42Å; T87-R89 VanDerWaalsContact C-N 3.35Å; T87-R89 PolarHBondContact O-N 3.29Å; T87-S90 WeakPolarHBondContact O-CB 3.5Å; T87-S90 PolarHBondContact O-N 2.97Å; T87-E91 HydrophobicContact CG2-CG 4.26Å; T87-E91 PolarHBondContact O-N 2.91Å; T87-I111 HydrophobicContact CG2-CG2 4.36Å; T87-A114 HydrophobicContact CG2-CB 3.48Å; T87-A114 VanDerWaalsContact CG2-CB 3.48Å; T87-I115 HydrophobicContact CG2-CG1 4.32Å |
| 88 | M | 92.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 178.8 | 172.7 | -90.8 | -75.8 | 0 | 0 | 111.8 | Q43 I55 A84 S90 L92 I111 | Q43-M88 HydrophobicContact CB-CE 4.07Å; Q43-M88 HydrophobicContact CG-CE 4.25Å; I55-M88 HydrophobicContact CG2-CE 3.76Å; I55-M88 HydrophobicContact CG2-SD 3.4Å; I55-M88 WeakPolarHBondContact CG2-SD 3.35Å; A84-M88 WeakPolarHBondContact O-CB 3.39Å; A84-M88 PolarHBondContact O-N 3.27Å; M88-S90 VanDerWaalsContact C-N 3.29Å; M88-S90 PolarHBondContact O-N 2.92Å; M88-L92 WeakPolarHBondContact O-CB 3.37Å; M88-L92 PolarHBondContact O-N 2.75Å; M88-L92 HydrophobicContact SD-CD2 4.42Å; M88-I111 HydrophobicContact CB-CD1 4.02Å; M88-I111 HydrophobicContact CG-CD1 4.04Å |
| 89 | R | 92.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 39 Ų | 39 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 174.2 | -176.9 | -177.4 | -67.8 | 110.8 | 0.4 | 112.4 | S44 A45 Q85 T86 T87 G93 | S44-R89 PolarHBondContact O-NE 3.1Å; A45-R89 HydrophobicContact CB-CG 4.21Å; Q85-R89 WeakPolarHBondContact O-CB 3.34Å; Q85-R89 PolarHBondContact O-N 3.44Å; Q85-R89 VanDerWaalsContact O-N 3.12Å; T86-R89 PolarHBondContact O-N 3.26Å; T87-R89 VanDerWaalsContact C-N 3.35Å; T87-R89 PolarHBondContact O-N 3.29Å; R89-G93 PolarHBondContact O-N 2.96Å |
| 90 | S | 92.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 38.2 Ų | 38.2 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.2 | -48.8 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | T86 T87 M88 G93 | T86-S90 PolarHBondContact O-N 3.47Å; T87-S90 WeakPolarHBondContact O-CB 3.5Å; T87-S90 PolarHBondContact O-N 2.97Å; M88-S90 VanDerWaalsContact C-N 3.29Å; M88-S90 PolarHBondContact O-N 2.92Å; S90-G93 PolarHBondContact O-N 3.37Å |
| 91 | E | 92.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 178.5 | -62.7 | -46.4 | 129.9 | 0 | 0 | 111.8 | T87 G93 K94 L107 I111 | T87-E91 HydrophobicContact CG2-CG 4.26Å; T87-E91 PolarHBondContact O-N 2.91Å; E91-G93 VanDerWaalsContact C-N 3.3Å; E91-G93 PolarHBondContact O-N 2.88Å; E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-K94 VanDerWaalsContact O-N 3.15Å; E91-K94 IonicContact OE1-NZ 2.64Å; E91-K94 PolarHBondContact OE1-NZ 3.15Å; E91-K94 WeakPolarHBondContact OE2-CE 3.14Å; E91-K94 IonicContact OE2-NZ 2.69Å; E91-K94 PolarHBondContact OE2-NZ 3.48Å; E91-L107 HydrophobicContact CB-CD1 3.65Å; E91-I111 HydrophobicContact CB-CG1 4.17Å; E91-I111 HydrophobicContact CG-CG1 4.06Å |
| 92 | L | 91.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -36 | 177.2 | -178 | 57.9 | 0 | 0 | 0 | 112.8 | A45 T47 L53 I55 M88 K94 L95 V100 | A45-L92 HydrophobicContact CB-CD2 3.48Å; A45-L92 VanDerWaalsContact CB-CD2 3.48Å; A45-L92 HydrophobicContact CB-CG 4.35Å; T47-L92 HydrophobicContact CG2-CD1 4.23Å; L53-L92 HydrophobicContact CD1-CD2 3.66Å; L53-L92 HydrophobicContact CD2-CD1 4.38Å; L53-L92 HydrophobicContact CD2-CD2 4.45Å; L53-L92 HydrophobicContact CG-CD2 4.24Å; I55-L92 HydrophobicContact CD1-CD2 4.49Å; I55-L92 HydrophobicContact CG2-CD2 3.89Å; M88-L92 WeakPolarHBondContact O-CB 3.37Å; M88-L92 PolarHBondContact O-N 2.75Å; M88-L92 HydrophobicContact SD-CD2 4.42Å; L92-K94 PolarHBondContact O-N 3.44Å; L92-L95 PolarHBondContact O-N 3.39Å; L92-V100 HydrophobicContact CD1-CB 4.16Å; L92-V100 HydrophobicContact CD1-CG1 3.69Å; L92-V100 HydrophobicContact CD1-CG2 3.33Å |
| 93 | G | 91.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V46 R89 S90 E91 | V46-G93 WeakPolarHBondContact O-CA 3.33Å; R89-G93 PolarHBondContact O-N 2.96Å; S90-G93 PolarHBondContact O-N 3.37Å; E91-G93 VanDerWaalsContact C-N 3.3Å; E91-G93 PolarHBondContact O-N 2.88Å |
| 94 | K | 92.5 | Very high | 91.7 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.9 | 176.4 | -57.4 | 172.1 | -160.2 | 170.4 | 0 | 113 | E91 L92 | E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-K94 VanDerWaalsContact O-N 3.15Å; E91-K94 IonicContact OE1-NZ 2.64Å; E91-K94 PolarHBondContact OE1-NZ 3.15Å; E91-K94 WeakPolarHBondContact OE2-CE 3.14Å; E91-K94 IonicContact OE2-NZ 2.69Å; E91-K94 PolarHBondContact OE2-NZ 3.48Å; L92-K94 PolarHBondContact O-N 3.44Å |
| 95 | L | 92.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -110.5 | 149.2 | -172.9 | -62.5 | 178.2 | 0 | 0 | 0 | 111.6 | T47 L48 L92 K99 V100 L107 | T47-L95 WeakPolarHBondContact CB-O 3.49Å; L48-L95 WeakPolarHBondContact CB-O 3.4Å; L48-L95 PolarHBondContact N-O 3.33Å; L92-L95 PolarHBondContact O-N 3.39Å; L95-K99 HydrophobicContact CD2-CD 4.45Å; L95-V100 HydrophobicContact CB-CG2 3.75Å; L95-V100 HydrophobicContact CD1-CG2 4.32Å; L95-L107 HydrophobicContact CD1-CB 4.31Å; L95-L107 HydrophobicContact CD1-CD1 4Å; L95-L107 HydrophobicContact CD1-CD2 4.29Å; L95-L107 HydrophobicContact CD1-CG 4.44Å |
| 96 | S | 93.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | trans | -76.3 | 154.2 | 167.9 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | D49 D98 K99 V100 | D49-S96 WeakPolarHBondContact OD1-CB 3.42Å; D49-S96 WeakPolarHBondContact OD2-CA 3.48Å; D49-S96 WeakPolarHBondContact OD2-CB 3.36Å; S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact O-N 2.88Å; S96-K99 WeakPolarHBondContact O-CB 3.3Å; S96-K99 PolarHBondContact O-N 3.36Å; S96-K99 VanDerWaalsContact O-N 3.08Å; S96-K99 WeakPolarHBondContact OG-CG 3.4Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 3.46Å | ||
| 97 | L | 91 | Very high | 91.4 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54 | -45.5 | -176.8 | -177.3 | 70.4 | 0 | 0 | 0 | 112 | T47 D49 V51 L53 K99 V100 F101 V136 V140 M144 | T47-L97 HydrophobicContact CG2-CB 4.48Å; T47-L97 HydrophobicContact CG2-CD1 4.27Å; D49-L97 PolarHBondContact OD2-N 2.97Å; V51-L97 HydrophobicContact CG1-CD1 4.34Å; V51-L97 HydrophobicContact CG1-CD2 4.18Å; V51-L97 HydrophobicContact CG2-CD2 4.38Å; L53-L97 HydrophobicContact CD2-CD1 3.66Å; L97-K99 PolarHBondContact O-N 3.44Å; L97-V100 WeakPolarHBondContact O-CB 3.44Å; L97-V100 PolarHBondContact O-N 3.35Å; L97-F101 HydrophobicContact CD1-CE2 3.92Å; L97-F101 HydrophobicContact CG-CD2 4.42Å; L97-F101 HydrophobicContact CG-CE2 4.13Å; L97-F101 VanDerWaalsContact O-CD2 3.26Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.87Å; L97-V136 HydrophobicContact CD1-CG2 4.01Å; L97-V136 HydrophobicContact CD2-CG1 4.27Å; L97-V140 HydrophobicContact CD2-CG1 3.89Å; L97-M144 HydrophobicContact CD2-SD 4.48Å |
| 98 | D | 89.4 | Confident | 91.4 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 179 | 177.6 | 71.3 | 0 | 0 | 0 | 112.3 | S96 V100 F101 R102 | S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact O-N 2.88Å; D98-V100 PolarHBondContact O-N 2.94Å; D98-F101 PolarHBondContact O-N 2.9Å; D98-R102 VanDerWaalsContact CG-NH2 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 3.37Å; D98-R102 IonicContact OD1-CZ 3.23Å; D98-R102 VanDerWaalsContact OD1-CZ 3.23Å; D98-R102 IonicContact OD1-NE 2.84Å; D98-R102 PolarHBondContact OD1-NE 3.27Å; D98-R102 IonicContact OD1-NH2 2.76Å; D98-R102 PolarHBondContact OD1-NH2 3.49Å; D98-R102 IonicContact OD2-CZ 3.16Å; D98-R102 IonicContact OD2-NE 2.86Å; D98-R102 PolarHBondContact OD2-NE 3.27Å; D98-R102 IonicContact OD2-NH2 3.12Å; D98-R102 PolarHBondContact OD2-NH2 2.92Å; D98-R102 VanDerWaalsContact OD2-NH2 3.12Å |
| 99 | K | 90.9 | Very high | 91.5 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 39% | 0.391 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 174.6 | -78 | -170.6 | 169.5 | -159.3 | 0 | 112.5 | L95 S96 L97 F101 R102 E103 | L95-K99 HydrophobicContact CD2-CD 4.45Å; S96-K99 WeakPolarHBondContact O-CB 3.3Å; S96-K99 PolarHBondContact O-N 3.36Å; S96-K99 VanDerWaalsContact O-N 3.08Å; S96-K99 WeakPolarHBondContact OG-CG 3.4Å; L97-K99 PolarHBondContact O-N 3.44Å; K99-F101 PolarHBondContact O-N 2.83Å; K99-R102 PolarHBondContact O-N 3.03Å; K99-R102 VanDerWaalsContact O-N 3.14Å; K99-E103 WeakPolarHBondContact O-CB 3.29Å; K99-E103 PolarHBondContact O-N 3.41Å |
| 100 | V | 90.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 176.7 | 176 | 0 | 0 | 0 | 0 | 111.7 | L92 L95 S96 L97 D98 R104 L107 I134 | L92-V100 HydrophobicContact CD1-CB 4.16Å; L92-V100 HydrophobicContact CD1-CG1 3.69Å; L92-V100 HydrophobicContact CD1-CG2 3.33Å; L95-V100 HydrophobicContact CB-CG2 3.75Å; L95-V100 HydrophobicContact CD1-CG2 4.32Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 3.46Å; L97-V100 WeakPolarHBondContact O-CB 3.44Å; L97-V100 PolarHBondContact O-N 3.35Å; D98-V100 PolarHBondContact O-N 2.94Å; V100-R104 VanDerWaalsContact O-CG 3.23Å; V100-R104 WeakPolarHBondContact O-CG 3.31Å; V100-L107 HydrophobicContact CG1-CD2 4.19Å; V100-I134 HydrophobicContact CG1-CD1 3.83Å |
| 101 | F | 87.4 | Confident | 91.6 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -79.2 | -35.3 | 173.6 | -75.9 | -73.8 | 0 | 0 | 0 | 113.8 | L97 D98 K99 I134 V136 | L97-F101 HydrophobicContact CD1-CE2 3.92Å; L97-F101 HydrophobicContact CG-CD2 4.42Å; L97-F101 HydrophobicContact CG-CE2 4.13Å; L97-F101 VanDerWaalsContact O-CD2 3.26Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.87Å; D98-F101 PolarHBondContact O-N 2.9Å; K99-F101 PolarHBondContact O-N 2.83Å; F101-I134 HydrophobicContact CE1-CB 4.16Å; F101-I134 HydrophobicContact CE1-CD1 4.27Å; F101-I134 HydrophobicContact CE1-CG2 4.33Å; F101-I134 HydrophobicContact CZ-CB 4.19Å; F101-I134 HydrophobicContact CZ-CG2 3.87Å; F101-V136 HydrophobicContact CE2-CG2 3.98Å; F101-V136 HydrophobicContact CZ-CG2 3.79Å |
| 102 | R | 88.5 | Confident | 91.7 | Very high | 182 Ų | 182 | 55.9 Ų | 55.9 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -84.4 | -37.7 | -176.5 | -66.3 | -178.2 | -163.2 | -151.7 | 12.8 | 114.3 | D98 K99 | D98-R102 VanDerWaalsContact CG-NH2 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 3.37Å; D98-R102 IonicContact OD1-CZ 3.23Å; D98-R102 VanDerWaalsContact OD1-CZ 3.23Å; D98-R102 IonicContact OD1-NE 2.84Å; D98-R102 PolarHBondContact OD1-NE 3.27Å; D98-R102 IonicContact OD1-NH2 2.76Å; D98-R102 PolarHBondContact OD1-NH2 3.49Å; D98-R102 IonicContact OD2-CZ 3.16Å; D98-R102 IonicContact OD2-NE 2.86Å; D98-R102 PolarHBondContact OD2-NE 3.27Å; D98-R102 IonicContact OD2-NH2 3.12Å; D98-R102 PolarHBondContact OD2-NH2 2.92Å; D98-R102 VanDerWaalsContact OD2-NH2 3.12Å; K99-R102 PolarHBondContact O-N 3.03Å; K99-R102 VanDerWaalsContact O-N 3.14Å |
| 103 | E | 91.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | trans | -109.9 | 33.4 | -168.7 | -60 | 176.5 | -150.9 | 0 | 0 | 111.8 | K99 E105 S106 L107 | K99-E103 WeakPolarHBondContact O-CB 3.29Å; K99-E103 PolarHBondContact O-N 3.41Å; E103-E105 VanDerWaalsContact C-N 3.26Å; E103-E105 PolarHBondContact O-N 3.47Å; E103-S106 WeakPolarHBondContact O-CB 3.34Å; E103-S106 PolarHBondContact O-N 2.87Å; E103-L107 PolarHBondContact O-N 3.38Å; E103-L107 VanDerWaalsContact O-N 3.09Å | ||
| 104 | R | 89.9 | Confident | 92 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -51.4 | -40.9 | -177.9 | -75.2 | -171.7 | 175 | -153.2 | -0 | 113.6 | V100 L107 N108 | V100-R104 VanDerWaalsContact O-CG 3.23Å; V100-R104 WeakPolarHBondContact O-CG 3.31Å; R104-L107 PolarHBondContact O-N 2.96Å; R104-N108 WeakPolarHBondContact O-CB 3.27Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 2.89Å; R104-N108 PolarHBondContact O-OD1 3.39Å |
| 105 | E | 91.2 | Very high | 92.1 | Very high | 169 Ų | 169 | 54.7 Ų | 54.7 | 79% | 0.79 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 179.3 | -172.8 | 173.3 | -167.7 | 0 | 0 | 112.3 | E103 N108 A109 | E103-E105 VanDerWaalsContact C-N 3.26Å; E103-E105 PolarHBondContact O-N 3.47Å; E105-N108 PolarHBondContact O-N 2.85Å; E105-A109 PolarHBondContact O-N 2.82Å |
| 106 | S | 92 | Very high | 92.2 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.2 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | E103 A109 S110 | E103-S106 WeakPolarHBondContact O-CB 3.34Å; E103-S106 PolarHBondContact O-N 2.87Å; S106-A109 PolarHBondContact O-N 2.94Å; S106-S110 WeakPolarHBondContact O-CB 3.37Å; S106-S110 PolarHBondContact O-N 2.94Å; S106-S110 PolarHBondContact O-OG 3.43Å |
| 107 | L | 91.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 174.7 | -179.8 | 55.9 | 0 | 0 | 0 | 111.7 | E91 L95 V100 E103 R104 A109 S110 I111 I131 | E91-L107 HydrophobicContact CB-CD1 3.65Å; L95-L107 HydrophobicContact CD1-CB 4.31Å; L95-L107 HydrophobicContact CD1-CD1 4Å; L95-L107 HydrophobicContact CD1-CD2 4.29Å; L95-L107 HydrophobicContact CD1-CG 4.44Å; V100-L107 HydrophobicContact CG1-CD2 4.19Å; E103-L107 PolarHBondContact O-N 3.38Å; E103-L107 VanDerWaalsContact O-N 3.09Å; R104-L107 PolarHBondContact O-N 2.96Å; L107-A109 PolarHBondContact O-N 3.22Å; L107-S110 PolarHBondContact O-N 3.5Å; L107-I111 HydrophobicContact CD1-CD1 3.8Å; L107-I111 HydrophobicContact CD1-CG1 4.11Å; L107-I111 HydrophobicContact CG-CD1 3.88Å; L107-I111 WeakPolarHBondContact O-CB 3.24Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.9Å; L107-I131 HydrophobicContact CD2-CD1 3.67Å; L107-I131 HydrophobicContact CG-CD1 4.05Å |
| 108 | N | 93.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 174.6 | -75 | -2.7 | 0 | 0 | 0 | 111.2 | R104 E105 I111 V112 Y129 E130 I131 | R104-N108 WeakPolarHBondContact O-CB 3.27Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 2.89Å; R104-N108 PolarHBondContact O-OD1 3.39Å; E105-N108 PolarHBondContact O-N 2.85Å; N108-I111 PolarHBondContact O-N 3.32Å; N108-V112 VanDerWaalsContact O-CG2 3.24Å; N108-V112 WeakPolarHBondContact O-CG2 3.43Å; N108-V112 PolarHBondContact O-N 3.49Å; N108-Y129 WeakPolarHBondContact CB-O 3.49Å; N108-Y129 PolarHBondContact ND2-O 2.91Å; N108-E130 PolarHBondContact ND2-OE2 2.9Å; N108-I131 WeakPolarHBondContact OD1-CD1 3.42Å; N108-I131 WeakPolarHBondContact OD1-CG1 3.35Å |
| 109 | A | 93.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E105 S106 L107 I111 V112 D113 | E105-A109 PolarHBondContact O-N 2.82Å; S106-A109 PolarHBondContact O-N 2.94Å; L107-A109 PolarHBondContact O-N 3.22Å; A109-I111 VanDerWaalsContact C-N 3.31Å; A109-I111 PolarHBondContact O-N 3.31Å; A109-V112 PolarHBondContact O-N 3.45Å; A109-V112 VanDerWaalsContact O-N 3.14Å; A109-D113 PolarHBondContact O-N 3.31Å |
| 110 | S | 93.4 | Very high | 92 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | S106 L107 A114 | S106-S110 WeakPolarHBondContact O-CB 3.37Å; S106-S110 PolarHBondContact O-N 2.94Å; S106-S110 PolarHBondContact O-OG 3.43Å; L107-S110 PolarHBondContact O-N 3.5Å; S110-A114 WeakPolarHBondContact O-CB 3.44Å; S110-A114 PolarHBondContact O-N 3.19Å; S110-A114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 175.8 | -69.9 | 167.3 | 0 | 0 | 0 | 111 | T87 M88 E91 L107 N108 A109 A114 I115 Y129 | T87-I111 HydrophobicContact CG2-CG2 4.36Å; M88-I111 HydrophobicContact CB-CD1 4.02Å; M88-I111 HydrophobicContact CG-CD1 4.04Å; E91-I111 HydrophobicContact CB-CG1 4.17Å; E91-I111 HydrophobicContact CG-CG1 4.06Å; L107-I111 HydrophobicContact CD1-CD1 3.8Å; L107-I111 HydrophobicContact CD1-CG1 4.11Å; L107-I111 HydrophobicContact CG-CD1 3.88Å; L107-I111 WeakPolarHBondContact O-CB 3.24Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.9Å; N108-I111 PolarHBondContact O-N 3.32Å; A109-I111 VanDerWaalsContact C-N 3.31Å; A109-I111 PolarHBondContact O-N 3.31Å; I111-A114 PolarHBondContact O-N 2.72Å; I111-I115 HydrophobicContact CG2-CD1 3.58Å; I111-I115 HydrophobicContact CG2-CG1 4.31Å; I111-I115 WeakPolarHBondContact O-CB 3.41Å; I111-I115 VanDerWaalsContact O-CG1 3.22Å; I111-I115 WeakPolarHBondContact O-CG1 3.46Å; I111-I115 PolarHBondContact O-N 2.93Å; I111-Y129 HydrophobicContact CB-CD1 4.22Å; I111-Y129 HydrophobicContact CB-CG 4.49Å; I111-Y129 HydrophobicContact CD1-CD1 3.85Å; I111-Y129 HydrophobicContact CD1-CE1 3.71Å; I111-Y129 HydrophobicContact CG2-CD1 3.82Å; I111-Y129 HydrophobicContact CG2-CD2 4.18Å; I111-Y129 HydrophobicContact CG2-CE1 4.29Å; I111-Y129 HydrophobicContact CG2-CG 3.75Å |
| 112 | V | 95.6 | Very high | 92 | Very high | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.9 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | N108 A109 I115 N116 C126 Y129 | N108-V112 VanDerWaalsContact O-CG2 3.24Å; N108-V112 WeakPolarHBondContact O-CG2 3.43Å; N108-V112 PolarHBondContact O-N 3.49Å; A109-V112 PolarHBondContact O-N 3.45Å; A109-V112 VanDerWaalsContact O-N 3.14Å; V112-I115 PolarHBondContact O-N 3.24Å; V112-N116 WeakPolarHBondContact CG1-ND2 3.35Å; V112-N116 WeakPolarHBondContact O-CB 3.39Å; V112-N116 PolarHBondContact O-N 2.78Å; V112-N116 PolarHBondContact O-ND2 2.89Å; V112-C126 HydrophobicContact CG1-CB 4.4Å; V112-Y129 VanDerWaalsContact CG2-N 3.26Å |
| 113 | D | 94.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | -179.6 | -75.6 | -14.4 | 0 | 0 | 0 | 112.1 | A109 N116 Q117 | A109-D113 PolarHBondContact O-N 3.31Å; D113-N116 PolarHBondContact O-N 3.36Å; D113-Q117 WeakPolarHBondContact O-CG 3.24Å; D113-Q117 PolarHBondContact O-N 3.39Å; D113-Q117 PolarHBondContact O-NE2 3.12Å; D113-Q117 VanDerWaalsContact O-NE2 3.17Å |
| 114 | A | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.5 | -34.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T87 S110 I111 | T87-A114 HydrophobicContact CG2-CB 3.48Å; T87-A114 VanDerWaalsContact CG2-CB 3.48Å; S110-A114 WeakPolarHBondContact O-CB 3.44Å; S110-A114 PolarHBondContact O-N 3.19Å; S110-A114 VanDerWaalsContact O-N 3.1Å; I111-A114 PolarHBondContact O-N 2.72Å |
| 115 | I | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 171.5 | -71.1 | 168 | 0 | 0 | 0 | 110.5 | L59 V80 L83 A84 T87 I111 V112 Q117 A118 A119 C126 | L59-I115 HydrophobicContact CD1-CD1 3.89Å; V80-I115 HydrophobicContact CG1-CG2 4.33Å; L83-I115 HydrophobicContact CD2-CG2 4.21Å; A84-I115 HydrophobicContact CB-CD1 3.66Å; A84-I115 HydrophobicContact CB-CG1 4.42Å; T87-I115 HydrophobicContact CG2-CG1 4.32Å; I111-I115 HydrophobicContact CG2-CD1 3.58Å; I111-I115 HydrophobicContact CG2-CG1 4.31Å; I111-I115 WeakPolarHBondContact O-CB 3.41Å; I111-I115 VanDerWaalsContact O-CG1 3.22Å; I111-I115 WeakPolarHBondContact O-CG1 3.46Å; I111-I115 PolarHBondContact O-N 2.93Å; V112-I115 PolarHBondContact O-N 3.24Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 2.86Å; I115-A118 PolarHBondContact O-N 2.82Å; I115-A119 HydrophobicContact CG2-CB 4.33Å; I115-A119 VanDerWaalsContact O-CB 3.29Å; I115-A119 WeakPolarHBondContact O-CB 3.3Å; I115-A119 PolarHBondContact O-N 2.87Å; I115-C126 HydrophobicContact CG2-CB 3.93Å |
| 116 | N | 94.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | -175.9 | -83.7 | -39.7 | 0 | 0 | 0 | 112.9 | V112 D113 A118 A119 D120 C126 | V112-N116 WeakPolarHBondContact CG1-ND2 3.35Å; V112-N116 WeakPolarHBondContact O-CB 3.39Å; V112-N116 PolarHBondContact O-N 2.78Å; V112-N116 PolarHBondContact O-ND2 2.89Å; D113-N116 PolarHBondContact O-N 3.36Å; N116-A118 PolarHBondContact O-N 2.94Å; N116-A119 PolarHBondContact O-N 2.82Å; N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.12Å; N116-C126 PolarHBondContact ND2-O 2.91Å; N116-C126 WeakPolarHBondContact OD1-CB 3.44Å; N116-C126 PolarHBondContact OD1-N 3.46Å; N116-C126 PolarHBondContact OD1-O 3.43Å |
| 117 | Q | 92.4 | Very high | 92.6 | Very high | 152 Ų | 152 | 42.9 Ų | 42.9 | 71% | 0.71 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -54.8 | -34.1 | 176.6 | -76.3 | 168.8 | 59.2 | 0 | 0 | 113.8 | D113 I115 | D113-Q117 WeakPolarHBondContact O-CG 3.24Å; D113-Q117 PolarHBondContact O-N 3.39Å; D113-Q117 PolarHBondContact O-NE2 3.12Å; D113-Q117 VanDerWaalsContact O-NE2 3.17Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 2.86Å |
| 118 | A | 89.4 | Confident | 92.7 | Very high | 35 Ų | 35 | 48 Ų | 48 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -97.7 | -29.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 I115 N116 D120 C121 | L83-A118 HydrophobicContact CD1-CB 4.2Å; L83-A118 HydrophobicContact CD2-CB 3.76Å; I115-A118 PolarHBondContact O-N 2.82Å; N116-A118 PolarHBondContact O-N 2.94Å; A118-D120 PolarHBondContact O-N 3.17Å; A118-C121 WeakPolarHBondContact O-CB 3.34Å; A118-C121 PolarHBondContact O-N 3.43Å; A118-C121 PolarHBondContact O-SG 3.15Å; A118-C121 VanDerWaalsContact O-SG 3.38Å |
| 119 | A | 89.9 | Confident | 92.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.4 | -22.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V80 I115 N116 C121 W122 G123 I124 | V80-A119 HydrophobicContact CG2-CB 4.48Å; I115-A119 HydrophobicContact CG2-CB 4.33Å; I115-A119 VanDerWaalsContact O-CB 3.29Å; I115-A119 WeakPolarHBondContact O-CB 3.3Å; I115-A119 PolarHBondContact O-N 2.87Å; N116-A119 PolarHBondContact O-N 2.82Å; A119-C121 PolarHBondContact O-N 2.96Å; A119-W122 HydrophobicContact CB-CE3 4.48Å; A119-W122 PolarHBondContact O-N 3.13Å; A119-G123 PolarHBondContact O-N 3.09Å; A119-I124 CarbonylContact C-O 3.46Å; A119-I124 WeakPolarHBondContact CB-O 3.3Å; A119-I124 PolarHBondContact O-N 2.96Å |
| 120 | D | 88.8 | Confident | 92.8 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 43% | 0.428 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.3 | -27.6 | 174.7 | -90.6 | -19.6 | 0 | 0 | 0 | 112.6 | N116 A118 W122 G123 R125 | N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.12Å; A118-D120 PolarHBondContact O-N 3.17Å; D120-W122 VanDerWaalsContact C-N 3.25Å; D120-W122 PolarHBondContact O-N 2.9Å; D120-G123 PolarHBondContact O-N 2.82Å; D120-R125 IonicContact OD1-NH2 3.73Å |
| 121 | C | 87.9 | Confident | 92.8 | Very high | 86 Ų | 86 | 47 Ų | 47 | 58% | 0.581 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -57.4 | -38.4 | 171.3 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | A118 A119 | A118-C121 WeakPolarHBondContact O-CB 3.34Å; A118-C121 PolarHBondContact O-N 3.43Å; A118-C121 PolarHBondContact O-SG 3.15Å; A118-C121 VanDerWaalsContact O-SG 3.38Å; A119-C121 PolarHBondContact O-N 2.96Å |
| 122 | W | 90.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -96 | 1.3 | -175.4 | -51.7 | -40.3 | 0 | 0 | 0 | 112.8 | K68 A69 V73 A79 V80 L83 A119 D120 I124 | K68-W122 CarbonylContact C-O 3.58Å; K68-W122 VanDerWaalsContact C-O 3.25Å; A69-W122 WeakPolarHBondContact CA-O 3.43Å; A69-W122 WeakPolarHBondContact CB-O 3.44Å; A69-W122 PolarHBondContact N-O 3.44Å; V73-W122 HydrophobicContact CB-CG 4.28Å; V73-W122 HydrophobicContact CG1-CB 4.14Å; V73-W122 HydrophobicContact CG1-CD2 4.42Å; V73-W122 HydrophobicContact CG1-CG 3.9Å; A79-W122 HydrophobicContact CB-CH2 4.05Å; A79-W122 HydrophobicContact CB-CZ2 4.31Å; A79-W122 HydrophobicContact CB-CZ3 4.17Å; V80-W122 HydrophobicContact CG2-CE3 3.54Å; V80-W122 HydrophobicContact CG2-CZ3 3.67Å; L83-W122 HydrophobicContact CD2-CH2 4.28Å; L83-W122 HydrophobicContact CD2-CZ3 3.92Å; A119-W122 HydrophobicContact CB-CE3 4.48Å; A119-W122 PolarHBondContact O-N 3.13Å; D120-W122 VanDerWaalsContact C-N 3.25Å; D120-W122 PolarHBondContact O-N 2.9Å; W122-I124 VanDerWaalsContact C-N 3.28Å; W122-I124 HydrophobicContact CB-CD1 3.98Å; W122-I124 HydrophobicContact CB-CG1 4.33Å; W122-I124 PolarHBondContact O-N 2.89Å |
| 123 | G | 89.3 | Confident | 92.3 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 20.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M64 D65 A119 D120 | M64-G123 PolarHBondContact N-O 3.26Å; D65-G123 PolarHBondContact N-O 3.18Å; A119-G123 PolarHBondContact O-N 3.09Å; D120-G123 PolarHBondContact O-N 2.82Å |
| 124 | I | 91.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.5 | -179.3 | -55.6 | 162.1 | 0 | 0 | 0 | 108.3 | L61 P76 V80 A119 W122 | L61-I124 HydrophobicContact CB-CG2 4.09Å; L61-I124 HydrophobicContact CD1-CG2 4.34Å; L61-I124 HydrophobicContact CD2-CG2 4.07Å; L61-I124 HydrophobicContact CG-CG2 4.41Å; P76-I124 HydrophobicContact CB-CD1 3.45Å; P76-I124 VanDerWaalsContact CB-CD1 3.45Å; V80-I124 HydrophobicContact CG2-CD1 3.68Å; V80-I124 HydrophobicContact CG2-CG2 4.42Å; A119-I124 CarbonylContact C-O 3.46Å; A119-I124 WeakPolarHBondContact CB-O 3.3Å; A119-I124 PolarHBondContact O-N 2.96Å; W122-I124 VanDerWaalsContact C-N 3.28Å; W122-I124 HydrophobicContact CB-CD1 3.98Å; W122-I124 HydrophobicContact CB-CG1 4.33Å; W122-I124 PolarHBondContact O-N 2.89Å |
| 125 | R | 93.3 | Very high | 92 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129 | 172.3 | -175.6 | 158.6 | -68.4 | -166.6 | -4.4 | 110.5 | L61 R62 M64 D120 L127 | L61-R125 CarbonylContact C-O 3.53Å; L61-R125 WeakPolarHBondContact CA-O 3.26Å; R62-R125 PolarHBondContact N-O 3.38Å; R62-R125 PolarHBondContact O-N 3.42Å; M64-R125 HydrophobicContact CG-CB 3.81Å; D120-R125 IonicContact OD1-NH2 3.73Å; R125-L127 HydrophobicContact CG-CD2 4.36Å |
| 126 | C | 95.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.3 | 162.3 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | L59 L61 V112 I115 N116 | L59-C126 HydrophobicContact CD1-CB 4.48Å; L59-C126 WeakPolarHBondContact CD1-SG 3.46Å; L61-C126 HydrophobicContact CD2-CB 4.05Å; V112-C126 HydrophobicContact CG1-CB 4.4Å; I115-C126 HydrophobicContact CG2-CB 3.93Å; N116-C126 PolarHBondContact ND2-O 2.91Å; N116-C126 WeakPolarHBondContact OD1-CB 3.44Å; N116-C126 PolarHBondContact OD1-N 3.46Å; N116-C126 PolarHBondContact OD1-O 3.43Å |
| 127 | L | 94.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -37.7 | 176.4 | -58.4 | -179.3 | 0 | 0 | 0 | 111.4 | E35 Y60 R62 R125 | E35-L127 HydrophobicContact CB-CD1 4.49Å; E35-L127 HydrophobicContact CG-CD1 3.91Å; Y60-L127 PolarHBondContact O-N 2.77Å; R62-L127 HydrophobicContact CB-CD1 4.12Å; R62-L127 HydrophobicContact CB-CG 4.36Å; R125-L127 HydrophobicContact CG-CD2 4.36Å |
| 128 | R | 95.2 | Very high | 91.7 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 42% | 0.419 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 154.6 | 175.3 | 58.7 | -178.3 | 131.9 | -128.5 | -14.8 | 110.5 | E35 Y60 | E35-R128 IonicContact OE1-CZ 3.86Å; E35-R128 IonicContact OE1-NE 3.77Å; E35-R128 IonicContact OE1-NH2 3.03Å; E35-R128 PolarHBondContact OE1-NH2 3.1Å; Y60-R128 HydrophobicContact CD1-CG 4.44Å; Y60-R128 HydrophobicContact CD2-CG 3.49Å; Y60-R128 VanDerWaalsContact CD2-CG 3.49Å; Y60-R128 HydrophobicContact CE2-CG 4.28Å; Y60-R128 HydrophobicContact CG-CG 3.59Å; Y60-R128 PolarHBondContact N-O 3.12Å |
| 129 | Y | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.8 | 165.8 | 179.7 | -100.2 | 0 | 0 | 0 | 107.4 | V40 L59 N108 I111 V112 I131 | V40-Y129 HydrophobicContact CG2-CE2 4.05Å; L59-Y129 HydrophobicContact CB-CD2 4.43Å; L59-Y129 HydrophobicContact CD1-CD2 3.88Å; N108-Y129 WeakPolarHBondContact CB-O 3.49Å; N108-Y129 PolarHBondContact ND2-O 2.91Å; I111-Y129 HydrophobicContact CB-CD1 4.22Å; I111-Y129 HydrophobicContact CB-CG 4.49Å; I111-Y129 HydrophobicContact CD1-CD1 3.85Å; I111-Y129 HydrophobicContact CD1-CE1 3.71Å; I111-Y129 HydrophobicContact CG2-CD1 3.82Å; I111-Y129 HydrophobicContact CG2-CD2 4.18Å; I111-Y129 HydrophobicContact CG2-CE1 4.29Å; I111-Y129 HydrophobicContact CG2-CG 3.75Å; V112-Y129 VanDerWaalsContact CG2-N 3.26Å; Y129-I131 HydrophobicContact CD1-CG1 4.29Å; Y129-I131 HydrophobicContact CE1-CG1 3.69Å |
| 130 | E | 94.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 38% | 0.379 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.6 | 177.6 | -62.8 | -63.4 | 170.1 | 0 | 0 | 109.3 | G57 V58 Y60 N108 K132 | G57-E130 CarbonylContact C-O 3.56Å; G57-E130 WeakPolarHBondContact CA-O 3.35Å; V58-E130 PolarHBondContact N-O 2.89Å; V58-E130 PolarHBondContact O-N 3.36Å; Y60-E130 HydrophobicContact CD2-CG 4.47Å; Y60-E130 HydrophobicContact CE2-CB 4.46Å; Y60-E130 HydrophobicContact CE2-CG 3.9Å; N108-E130 PolarHBondContact ND2-OE2 2.9Å; E130-K132 PolarHBondContact O-N 2.9Å |
| 131 | I | 92.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.9 | 167.6 | -64.1 | 163.1 | 0 | 0 | 0 | 108.3 | I55 L107 N108 Y129 I134 | I55-I131 HydrophobicContact CD1-CD1 4.26Å; I55-I131 HydrophobicContact CD1-CG1 4.14Å; I55-I131 HydrophobicContact CD1-CG2 3.76Å; I55-I131 HydrophobicContact CG1-CG2 4Å; L107-I131 HydrophobicContact CD2-CD1 3.67Å; L107-I131 HydrophobicContact CG-CD1 4.05Å; N108-I131 WeakPolarHBondContact OD1-CD1 3.42Å; N108-I131 WeakPolarHBondContact OD1-CG1 3.35Å; Y129-I131 HydrophobicContact CD1-CG1 4.29Å; Y129-I131 HydrophobicContact CE1-CG1 3.69Å; I131-I134 HydrophobicContact CG2-CD1 3.96Å; I131-I134 HydrophobicContact CG2-CG1 3.72Å |
| 132 | K | 91.3 | Very high | 92 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -79.9 | -179 | 174.7 | 178.3 | 154.3 | -68.3 | 0 | 109.4 | D56 E130 | D56-K132 PolarHBondContact O-N 3.06Å; D56-K132 WeakPolarHBondContact OD1-CB 3.33Å; D56-K132 IonicContact OD1-NZ 3.55Å; D56-K132 IonicContact OD2-NZ 2.69Å; D56-K132 PolarHBondContact OD2-NZ 3.3Å; E130-K132 PolarHBondContact O-N 2.9Å |
| 133 | D | 89.4 | Confident | 92 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.3 | 179.7 | -64.9 | -56.9 | 0 | 0 | 0 | 112.3 | I55 D56 | I55-D133 WeakPolarHBondContact CA-O 3.37Å; D56-D133 PolarHBondContact N-O 3.04Å; D56-D133 WeakPolarHBondContact OD1-CB 3.17Å; D56-D133 PolarHBondContact OD1-N 2.84Å |
| 134 | I | 91.4 | Very high | 91.9 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 106.3 | 174 | -52.2 | -176.8 | 0 | 0 | 0 | 108.1 | L53 Q54 I55 V100 F101 I131 V136 | L53-I134 HydrophobicContact CD1-CG2 4Å; L53-I134 HydrophobicContact CD2-CG2 4.1Å; L53-I134 HydrophobicContact CG-CG2 4.5Å; Q54-I134 CarbonylContact O-C 3.6Å; I55-I134 HydrophobicContact CD1-CD1 4.31Å; I55-I134 HydrophobicContact CD1-CG1 4.11Å; I55-I134 HydrophobicContact CG1-CG1 4.26Å; V100-I134 HydrophobicContact CG1-CD1 3.83Å; F101-I134 HydrophobicContact CE1-CB 4.16Å; F101-I134 HydrophobicContact CE1-CD1 4.27Å; F101-I134 HydrophobicContact CE1-CG2 4.33Å; F101-I134 HydrophobicContact CZ-CB 4.19Å; F101-I134 HydrophobicContact CZ-CG2 3.87Å; I131-I134 HydrophobicContact CG2-CD1 3.96Å; I131-I134 HydrophobicContact CG2-CG1 3.72Å; I134-V136 HydrophobicContact CG2-CG2 4.19Å |
| 135 | H | 91.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 75 Ų | 75 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.2 | 177.6 | -57.2 | 117.2 | 0 | 0 | 0 | 110.2 | E42 L53 Q54 | E42-H135 IonicContact OE1-CE1 3.63Å; E42-H135 IonicContact OE1-CG 3.83Å; E42-H135 IonicContact OE1-ND1 2.79Å; E42-H135 PolarHBondContact OE1-ND1 2.94Å; L53-H135 WeakPolarHBondContact CA-O 3.47Å; L53-H135 WeakPolarHBondContact CB-O 3.47Å; Q54-H135 HydrophobicContact CB-CB 4.22Å; Q54-H135 PolarHBondContact N-O 3.29Å; Q54-H135 PolarHBondContact O-N 3.36Å |
| 136 | V | 91.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 76.1 Ų | 76.1 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | trans | -111.3 | 139.3 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | V51 L53 L97 F101 I134 V140 | V51-V136 HydrophobicContact CG1-CG1 4.24Å; L53-V136 HydrophobicContact CB-CG2 4.29Å; L97-V136 HydrophobicContact CD1-CG2 4.01Å; L97-V136 HydrophobicContact CD2-CG1 4.27Å; F101-V136 HydrophobicContact CE2-CG2 3.98Å; F101-V136 HydrophobicContact CZ-CG2 3.79Å; I134-V136 HydrophobicContact CG2-CG2 4.19Å; V136-V140 HydrophobicContact CG1-CB 3.98Å; V136-V140 HydrophobicContact CG1-CG1 4.02Å | ||
| 137 | P | 91.4 | Very high | 91.7 | Very high | 48 Ų | 48 | 82.5 Ų | 82.5 | 31% | 0.312 | 40% | 0.401 | S | S | . | . | trans | -51 | 135.9 | 177.1 | -29.6 | 35.5 | 0 | 0 | 0 | 112.6 | T52 R139 V140 K141 | T52-P137 WeakPolarHBondContact O-CD 3.3Å; T52-P137 WeakPolarHBondContact O-CG 3.38Å; P137-R139 VanDerWaalsContact C-N 3.29Å; P137-R139 PolarHBondContact O-N 3.1Å; P137-V140 PolarHBondContact O-N 3.48Å; P137-K141 PolarHBondContact O-N 3.48Å | ||
| 138 | P | 91.4 | Very high | 91.6 | Very high | 88 Ų | 88 | 81.8 Ų | 81.8 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58 | -39 | -169.4 | 19.5 | -31.9 | 0 | 0 | 0 | 113 | V140 K141 E142 | P138-V140 VanDerWaalsContact C-N 3.3Å; P138-V140 PolarHBondContact O-N 3.41Å; P138-K141 WeakPolarHBondContact O-CB 3.31Å; P138-K141 PolarHBondContact O-N 2.92Å; P138-K141 VanDerWaalsContact O-N 3.14Å; P138-E142 WeakPolarHBondContact O-CB 3.48Å; P138-E142 WeakPolarHBondContact O-CG 3.47Å; P138-E142 PolarHBondContact O-N 3.12Å |
| 139 | R | 90.8 | Very high | 91.5 | Very high | 213 Ų | 213 | 83 Ų | 83 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -55.9 | -39.3 | 176 | -68.8 | -178 | 174 | 175.1 | -2.3 | 113.7 | P137 S143 | P137-R139 VanDerWaalsContact C-N 3.29Å; P137-R139 PolarHBondContact O-N 3.1Å; R139-S143 WeakPolarHBondContact O-CB 3.32Å; R139-S143 PolarHBondContact O-N 3.47Å; R139-S143 VanDerWaalsContact O-N 3.15Å |
| 140 | V | 89.7 | Confident | 91.5 | Very high | 49 Ų | 49 | 85.8 Ų | 85.8 | 30% | 0.297 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.7 | -40.8 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | V51 L97 V136 P137 P138 S143 M144 | V51-V140 HydrophobicContact CG1-CG1 4.13Å; V51-V140 HydrophobicContact CG1-CG2 4.41Å; V51-V140 HydrophobicContact CG2-CG1 4.27Å; L97-V140 HydrophobicContact CD2-CG1 3.89Å; V136-V140 HydrophobicContact CG1-CB 3.98Å; V136-V140 HydrophobicContact CG1-CG1 4.02Å; P137-V140 PolarHBondContact O-N 3.48Å; P138-V140 VanDerWaalsContact C-N 3.3Å; P138-V140 PolarHBondContact O-N 3.41Å; V140-S143 PolarHBondContact O-N 2.92Å; V140-M144 WeakPolarHBondContact O-CB 3.38Å; V140-M144 PolarHBondContact O-N 2.87Å |
| 141 | K | 89.3 | Confident | 91.5 | Very high | 114 Ų | 114 | 86.4 Ų | 86.4 | 50% | 0.496 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.9 | -175.4 | 178.8 | 178.2 | 179.7 | 0 | 112.1 | P137 P138 M144 Q145 | P137-K141 PolarHBondContact O-N 3.48Å; P138-K141 WeakPolarHBondContact O-CB 3.31Å; P138-K141 PolarHBondContact O-N 2.92Å; P138-K141 VanDerWaalsContact O-N 3.14Å; K141-M144 PolarHBondContact O-N 2.96Å; K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 VanDerWaalsContact O-CG 3.27Å; K141-Q145 WeakPolarHBondContact O-CG 3.48Å; K141-Q145 PolarHBondContact O-N 3.01Å |
| 142 | E | 92.8 | Very high | 91.7 | Very high | 117 Ų | 117 | 94.2 Ų | 94.2 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -47 | 176.1 | -73.8 | 163.8 | -164.6 | 0 | 0 | 111.7 | P138 M144 Q145 M146 | P138-E142 WeakPolarHBondContact O-CB 3.48Å; P138-E142 WeakPolarHBondContact O-CG 3.47Å; P138-E142 PolarHBondContact O-N 3.12Å; E142-M144 PolarHBondContact O-N 3.4Å; E142-Q145 PolarHBondContact O-N 3.41Å; E142-M146 WeakPolarHBondContact O-CB 3.31Å; E142-M146 PolarHBondContact O-N 3.45Å |
| 143 | S | 90 | Very high | 91.9 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 53% | 0.531 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 112 | R139 V140 Q145 M146 Q147 | R139-S143 WeakPolarHBondContact O-CB 3.32Å; R139-S143 PolarHBondContact O-N 3.47Å; R139-S143 VanDerWaalsContact O-N 3.15Å; V140-S143 PolarHBondContact O-N 2.92Å; S143-Q145 PolarHBondContact O-N 3.22Å; S143-M146 PolarHBondContact O-N 2.94Å; S143-Q147 WeakPolarHBondContact O-CB 3.4Å; S143-Q147 PolarHBondContact O-N 3.01Å |
| 144 | M | 89 | Confident | 92.3 | Very high | 60 Ų | 60 | 102.4 Ų | 102.4 | 30% | 0.296 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 177 | -170.5 | 180 | 75.8 | 0 | 0 | 112 | L97 V140 K141 E142 Q147 V148 | L97-M144 HydrophobicContact CD2-SD 4.48Å; V140-M144 WeakPolarHBondContact O-CB 3.38Å; V140-M144 PolarHBondContact O-N 2.87Å; K141-M144 PolarHBondContact O-N 2.96Å; E142-M144 PolarHBondContact O-N 3.4Å; M144-Q147 PolarHBondContact O-N 3.07Å; M144-V148 WeakPolarHBondContact O-CB 3.34Å; M144-V148 VanDerWaalsContact O-CG2 3.31Å; M144-V148 WeakPolarHBondContact O-CG2 3.42Å; M144-V148 PolarHBondContact O-N 3.32Å |
| 145 | Q | 90.5 | Very high | 92.5 | Very high | 109 Ų | 109 | 109.2 Ų | 109.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.5 | -77.3 | 174.9 | -28.4 | 0 | 0 | 111.5 | K141 E142 S143 Q147 V148 E149 | K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 VanDerWaalsContact O-CG 3.27Å; K141-Q145 WeakPolarHBondContact O-CG 3.48Å; K141-Q145 PolarHBondContact O-N 3.01Å; E142-Q145 PolarHBondContact O-N 3.41Å; S143-Q145 PolarHBondContact O-N 3.22Å; Q145-Q147 VanDerWaalsContact C-N 3.33Å; Q145-Q147 PolarHBondContact O-N 2.94Å; Q145-V148 PolarHBondContact O-N 3.34Å; Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 2.72Å |
| 146 | M | 92.7 | Very high | 92.8 | Very high | 136 Ų | 136 | 107.6 Ų | 107.6 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 176.8 | -173.8 | -179.5 | -68.1 | 0 | 0 | 112.1 | E142 S143 A150 | E142-M146 WeakPolarHBondContact O-CB 3.31Å; E142-M146 PolarHBondContact O-N 3.45Å; S143-M146 PolarHBondContact O-N 2.94Å; M146-A150 VanDerWaalsContact O-CB 3.26Å; M146-A150 WeakPolarHBondContact O-CB 3.22Å; M146-A150 PolarHBondContact O-N 3.39Å |
| 147 | Q | 91.6 | Very high | 93 | Very high | 137 Ų | 137 | 109.7 Ų | 109.7 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -46.7 | 175.9 | -175 | 178.6 | 2.5 | 0 | 0 | 111.9 | S143 M144 Q145 E149 A150 E151 | S143-Q147 WeakPolarHBondContact O-CB 3.4Å; S143-Q147 PolarHBondContact O-N 3.01Å; M144-Q147 PolarHBondContact O-N 3.07Å; Q145-Q147 VanDerWaalsContact C-N 3.33Å; Q145-Q147 PolarHBondContact O-N 2.94Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-A150 PolarHBondContact O-N 3Å; Q147-E151 WeakPolarHBondContact O-CB 3.41Å; Q147-E151 PolarHBondContact O-N 3.43Å |
| 148 | V | 92.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 110.5 Ų | 110.5 | 35% | 0.352 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.9 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | M144 Q145 R152 | M144-V148 WeakPolarHBondContact O-CB 3.34Å; M144-V148 VanDerWaalsContact O-CG2 3.31Å; M144-V148 WeakPolarHBondContact O-CG2 3.42Å; M144-V148 PolarHBondContact O-N 3.32Å; Q145-V148 PolarHBondContact O-N 3.34Å; V148-R152 HydrophobicContact CG1-CG 4.45Å; V148-R152 WeakPolarHBondContact O-CB 3.4Å; V148-R152 VanDerWaalsContact O-CG 3.22Å; V148-R152 WeakPolarHBondContact O-CG 3.42Å; V148-R152 PolarHBondContact O-N 2.85Å |
| 149 | E | 94.2 | Very high | 93.6 | Very high | 136 Ų | 136 | 112.2 Ų | 112.2 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | 175.2 | -172.9 | 177.8 | 176.5 | 0 | 0 | 111.7 | Q145 Q147 E151 R152 R153 | Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 2.72Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E149-E151 PolarHBondContact O-N 3.35Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-R153 VanDerWaalsContact O-CB 3.31Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.22Å |
| 150 | A | 94.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 108.4 Ų | 108.4 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M146 Q147 R153 K154 | M146-A150 VanDerWaalsContact O-CB 3.26Å; M146-A150 WeakPolarHBondContact O-CB 3.22Å; M146-A150 PolarHBondContact O-N 3.39Å; Q147-A150 PolarHBondContact O-N 3Å; A150-R153 PolarHBondContact O-N 2.86Å; A150-K154 WeakPolarHBondContact O-CB 3.34Å; A150-K154 PolarHBondContact O-N 2.9Å |
| 151 | E | 93.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 109.5 Ų | 109.5 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.1 | -165.5 | -173.4 | 173.4 | 0 | 0 | 111.9 | Q147 E149 R153 K154 R155 | Q147-E151 WeakPolarHBondContact O-CB 3.41Å; Q147-E151 PolarHBondContact O-N 3.43Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E149-E151 PolarHBondContact O-N 3.35Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.01Å; E151-K154 PolarHBondContact O-N 3.27Å; E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 3.12Å; E151-R155 IonicContact OE1-CZ 3.26Å; E151-R155 VanDerWaalsContact OE1-CZ 3.26Å; E151-R155 IonicContact OE1-NE 3.08Å; E151-R155 PolarHBondContact OE1-NE 3.02Å; E151-R155 VanDerWaalsContact OE1-NE 3.08Å; E151-R155 IonicContact OE1-NH2 2.66Å; E151-R155 PolarHBondContact OE1-NH2 2.87Å |
| 152 | R | 96.1 | Very high | 94.6 | Very high | 179 Ų | 179 | 109.4 Ų | 109.4 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.1 | -44.6 | 174.5 | -77.7 | 174.3 | 178 | -166.5 | -0.4 | 111.5 | V148 E149 R155 A156 | V148-R152 HydrophobicContact CG1-CG 4.45Å; V148-R152 WeakPolarHBondContact O-CB 3.4Å; V148-R152 VanDerWaalsContact O-CG 3.22Å; V148-R152 WeakPolarHBondContact O-CG 3.42Å; V148-R152 PolarHBondContact O-N 2.85Å; E149-R152 PolarHBondContact O-N 2.91Å; R152-R155 PolarHBondContact O-N 3.4Å; R152-A156 WeakPolarHBondContact O-CB 3.49Å; R152-A156 PolarHBondContact O-N 2.9Å |
| 153 | R | 96.3 | Very high | 94.9 | Very high | 188 Ų | 188 | 105.6 Ų | 105.6 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 177.2 | -173.3 | 175 | -179.7 | 175.3 | 0.5 | 111.4 | E149 A150 E151 R155 A156 T157 | E149-R153 VanDerWaalsContact O-CB 3.31Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.22Å; A150-R153 PolarHBondContact O-N 2.86Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.01Å; R153-R155 PolarHBondContact O-N 3.16Å; R153-A156 PolarHBondContact O-N 2.87Å; R153-T157 PolarHBondContact O-N 3.36Å; R153-T157 PolarHBondContact O-OG1 3.46Å |
| 154 | K | 96.9 | Very high | 95.2 | Very high | 153 Ų | 153 | 106.4 Ų | 106.4 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.8 | -47.8 | 174.4 | -177.9 | -179.4 | 177.5 | -178 | 0 | 111.5 | A150 E151 T157 V158 | A150-K154 WeakPolarHBondContact O-CB 3.34Å; A150-K154 PolarHBondContact O-N 2.9Å; E151-K154 PolarHBondContact O-N 3.27Å; K154-T157 PolarHBondContact O-N 2.82Å; K154-V158 WeakPolarHBondContact O-CG2 3.26Å; K154-V158 PolarHBondContact O-N 3.42Å |
| 155 | R | 96.4 | Very high | 95.6 | Very high | 164 Ų | 164 | 112.3 Ų | 112.3 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 177.5 | -70.3 | 173.9 | -177.8 | -143.2 | 6 | 111.7 | E151 R152 R153 V158 L159 | E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 3.12Å; E151-R155 IonicContact OE1-CZ 3.26Å; E151-R155 VanDerWaalsContact OE1-CZ 3.26Å; E151-R155 IonicContact OE1-NE 3.08Å; E151-R155 PolarHBondContact OE1-NE 3.02Å; E151-R155 VanDerWaalsContact OE1-NE 3.08Å; E151-R155 IonicContact OE1-NH2 2.66Å; E151-R155 PolarHBondContact OE1-NH2 2.87Å; R152-R155 PolarHBondContact O-N 3.4Å; R153-R155 PolarHBondContact O-N 3.16Å; R155-V158 PolarHBondContact O-N 3.02Å; R155-L159 WeakPolarHBondContact O-CB 3.32Å; R155-L159 PolarHBondContact O-N 2.94Å |
| 156 | A | 96.7 | Very high | 96 | Very high | 55 Ų | 55 | 113 Ų | 113 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R152 R153 V158 L159 E160 | R152-A156 WeakPolarHBondContact O-CB 3.49Å; R152-A156 PolarHBondContact O-N 2.9Å; R153-A156 PolarHBondContact O-N 2.87Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 PolarHBondContact O-N 3.44Å; A156-L159 PolarHBondContact O-N 3.49Å; A156-E160 VanDerWaalsContact O-CB 3.31Å; A156-E160 WeakPolarHBondContact O-CB 3.38Å; A156-E160 PolarHBondContact O-N 3.27Å |
| 157 | T | 97.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 109.8 Ų | 109.8 | 42% | 0.423 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | R153 K154 S161 | R153-T157 PolarHBondContact O-N 3.36Å; R153-T157 PolarHBondContact O-OG1 3.46Å; K154-T157 PolarHBondContact O-N 2.82Å; T157-S161 WeakPolarHBondContact O-CB 3.34Å; T157-S161 PolarHBondContact O-N 2.88Å; T157-S161 PolarHBondContact O-OG 3.44Å |
| 158 | V | 97 | Very high | 96.4 | Very high | 66 Ų | 66 | 106.2 Ų | 106.2 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -50.7 | 172.9 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | K154 R155 A156 E160 S161 E162 | K154-V158 WeakPolarHBondContact O-CG2 3.26Å; K154-V158 PolarHBondContact O-N 3.42Å; R155-V158 PolarHBondContact O-N 3.02Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 PolarHBondContact O-N 3.44Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.47Å; V158-S161 WeakPolarHBondContact O-CB 3.46Å; V158-S161 PolarHBondContact O-N 3.34Å; V158-S161 VanDerWaalsContact O-N 3.12Å; V158-E162 HydrophobicContact CG1-CG 4.38Å; V158-E162 WeakPolarHBondContact O-CG 3.47Å; V158-E162 PolarHBondContact O-N 3.19Å |
| 159 | L | 97.1 | Very high | 96.7 | Very high | 124 Ų | 124 | 107.6 Ų | 107.6 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 179.6 | -168.7 | 79.1 | 0 | 0 | 0 | 112.3 | R155 A156 E162 G163 | R155-L159 WeakPolarHBondContact O-CB 3.32Å; R155-L159 PolarHBondContact O-N 2.94Å; A156-L159 PolarHBondContact O-N 3.49Å; L159-E162 PolarHBondContact O-N 3.45Å; L159-G163 PolarHBondContact O-N 2.91Å |
| 160 | E | 97.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 105.4 Ų | 105.4 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 175.4 | -177.4 | 175.7 | -155.3 | 0 | 0 | 112 | A156 V158 T164 | A156-E160 VanDerWaalsContact O-CB 3.31Å; A156-E160 WeakPolarHBondContact O-CB 3.38Å; A156-E160 PolarHBondContact O-N 3.27Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.47Å; E160-T164 VanDerWaalsContact O-CB 3.3Å; E160-T164 WeakPolarHBondContact O-CB 3.47Å; E160-T164 PolarHBondContact O-N 2.73Å; E160-T164 PolarHBondContact O-OG1 2.92Å |
| 161 | S | 97.2 | Very high | 97 | Very high | 72 Ų | 72 | 106.2 Ų | 106.2 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 112 | T157 V158 R165 | T157-S161 WeakPolarHBondContact O-CB 3.34Å; T157-S161 PolarHBondContact O-N 2.88Å; T157-S161 PolarHBondContact O-OG 3.44Å; V158-S161 WeakPolarHBondContact O-CB 3.46Å; V158-S161 PolarHBondContact O-N 3.34Å; V158-S161 VanDerWaalsContact O-N 3.12Å; S161-R165 WeakPolarHBondContact O-CB 3.27Å; S161-R165 PolarHBondContact O-N 3Å |
| 162 | E | 97.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 175.5 | -72.9 | 172.6 | 163.5 | 0 | 0 | 110.9 | V158 L159 T164 R165 E166 | V158-E162 HydrophobicContact CG1-CG 4.38Å; V158-E162 WeakPolarHBondContact O-CG 3.47Å; V158-E162 PolarHBondContact O-N 3.19Å; L159-E162 PolarHBondContact O-N 3.45Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 2.87Å; E162-R165 WeakPolarHBondContact O-CB 3.45Å; E162-R165 PolarHBondContact O-N 3.32Å; E162-R165 VanDerWaalsContact O-N 3.16Å; E162-E166 WeakPolarHBondContact O-CB 3.31Å; E162-E166 PolarHBondContact O-N 3.43Å |
| 163 | G | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 101.7 Ų | 101.7 | 38% | 0.381 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L159 S167 | L159-G163 PolarHBondContact O-N 2.91Å; G163-S167 WeakPolarHBondContact O-CB 3.35Å; G163-S167 PolarHBondContact O-N 3.05Å |
| 164 | T | 97.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 173.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | E160 E162 A168 | E160-T164 VanDerWaalsContact O-CB 3.3Å; E160-T164 WeakPolarHBondContact O-CB 3.47Å; E160-T164 PolarHBondContact O-N 2.73Å; E160-T164 PolarHBondContact O-OG1 2.92Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 2.87Å; T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 2.86Å |
| 165 | R | 97.1 | Very high | 97.3 | Very high | 184 Ų | 184 | 94.2 Ų | 94.2 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 176.5 | 176.7 | -179.4 | 175.9 | 169 | -0 | 111.7 | S161 E162 A168 I169 | S161-R165 WeakPolarHBondContact O-CB 3.27Å; S161-R165 PolarHBondContact O-N 3Å; E162-R165 WeakPolarHBondContact O-CB 3.45Å; E162-R165 PolarHBondContact O-N 3.32Å; E162-R165 VanDerWaalsContact O-N 3.16Å; R165-A168 PolarHBondContact O-N 3.28Å; R165-I169 HydrophobicContact CG-CD1 3.99Å; R165-I169 VanDerWaalsContact O-CG1 3.32Å; R165-I169 WeakPolarHBondContact O-CG1 3.45Å; R165-I169 PolarHBondContact O-N 3.44Å |
| 166 | E | 97.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 179.5 | -170.4 | 179.4 | 173.3 | 0 | 0 | 111.3 | E162 A168 I169 N170 | E162-E166 WeakPolarHBondContact O-CB 3.31Å; E162-E166 PolarHBondContact O-N 3.43Å; E166-A168 PolarHBondContact O-N 2.66Å; E166-I169 PolarHBondContact O-N 2.93Å; E166-N170 WeakPolarHBondContact O-CB 3.48Å; E166-N170 VanDerWaalsContact O-CG 3.26Å; E166-N170 PolarHBondContact O-N 2.92Å; E166-N170 PolarHBondContact O-ND2 3.4Å |
| 167 | S | 97.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | G163 I169 N170 V171 | G163-S167 WeakPolarHBondContact O-CB 3.35Å; G163-S167 PolarHBondContact O-N 3.05Å; S167-I169 PolarHBondContact O-N 2.89Å; S167-N170 PolarHBondContact O-N 3.31Å; S167-V171 WeakPolarHBondContact O-CG2 3.26Å; S167-V171 PolarHBondContact O-N 3.32Å |
| 168 | A | 97.1 | Very high | 97.3 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T164 R165 E166 A172 | T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 2.86Å; R165-A168 PolarHBondContact O-N 3.28Å; E166-A168 PolarHBondContact O-N 2.66Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.14Å |
| 169 | I | 97.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 97.9 Ų | 97.9 | 45% | 0.451 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 174.3 | -69.6 | 164.9 | 0 | 0 | 0 | 110.1 | R165 E166 S167 V171 A172 E173 | R165-I169 HydrophobicContact CG-CD1 3.99Å; R165-I169 VanDerWaalsContact O-CG1 3.32Å; R165-I169 WeakPolarHBondContact O-CG1 3.45Å; R165-I169 PolarHBondContact O-N 3.44Å; E166-I169 PolarHBondContact O-N 2.93Å; S167-I169 PolarHBondContact O-N 2.89Å; I169-V171 VanDerWaalsContact C-N 3.3Å; I169-V171 PolarHBondContact O-N 3.08Å; I169-A172 PolarHBondContact O-N 3.27Å; I169-A172 VanDerWaalsContact O-N 3.07Å; I169-E173 WeakPolarHBondContact O-CB 3.35Å; I169-E173 PolarHBondContact O-N 2.84Å |
| 170 | N | 97.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 95 Ų | 95 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | -179.6 | -69.6 | -19.3 | 0 | 0 | 0 | 112.1 | E166 S167 G174 | E166-N170 WeakPolarHBondContact O-CB 3.48Å; E166-N170 VanDerWaalsContact O-CG 3.26Å; E166-N170 PolarHBondContact O-N 2.92Å; E166-N170 PolarHBondContact O-ND2 3.4Å; S167-N170 PolarHBondContact O-N 3.31Å; N170-G174 PolarHBondContact O-N 2.91Å |
| 171 | V | 97.6 | Very high | 97.3 | Very high | 77 Ų | 77 | 93.1 Ų | 93.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | S167 I169 K175 | S167-V171 WeakPolarHBondContact O-CG2 3.26Å; S167-V171 PolarHBondContact O-N 3.32Å; I169-V171 VanDerWaalsContact C-N 3.3Å; I169-V171 PolarHBondContact O-N 3.08Å; V171-K175 HydrophobicContact CG1-CD 4.28Å; V171-K175 WeakPolarHBondContact O-CB 3.19Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.5Å; V171-K175 PolarHBondContact O-N 3.03Å |
| 172 | A | 97.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 92.2 Ų | 92.2 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A168 I169 K175 K176 | A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.14Å; I169-A172 PolarHBondContact O-N 3.27Å; I169-A172 VanDerWaalsContact O-N 3.07Å; A172-K175 PolarHBondContact O-N 2.89Å; A172-K176 WeakPolarHBondContact O-CB 3.43Å; A172-K176 PolarHBondContact O-N 3.27Å |
| 173 | E | 97 | Very high | 97.2 | Very high | 118 Ų | 118 | 90.2 Ų | 90.2 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 176.4 | -175 | 157.3 | -144.1 | 0 | 0 | 111.7 | I169 K175 K176 Q177 | I169-E173 WeakPolarHBondContact O-CB 3.35Å; I169-E173 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 3.33Å; E173-K176 WeakPolarHBondContact O-CB 3.23Å; E173-K176 PolarHBondContact O-N 3.15Å; E173-Q177 WeakPolarHBondContact O-CB 3.43Å; E173-Q177 PolarHBondContact O-N 3.41Å |
| 174 | G | 97.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 94 Ų | 94 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N170 Q177 A178 | N170-G174 PolarHBondContact O-N 2.91Å; G174-Q177 PolarHBondContact O-N 3.44Å; G174-A178 VanDerWaalsContact O-CB 3.3Å; G174-A178 WeakPolarHBondContact O-CB 3.48Å; G174-A178 PolarHBondContact O-N 3.47Å |
| 175 | K | 97.4 | Very high | 97.1 | Very high | 143 Ų | 143 | 92.3 Ų | 92.3 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 174.1 | -77.7 | 174.7 | 178.5 | 179.8 | 0 | 112.6 | V171 A172 E173 A178 Q179 | V171-K175 HydrophobicContact CG1-CD 4.28Å; V171-K175 WeakPolarHBondContact O-CB 3.19Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.5Å; V171-K175 PolarHBondContact O-N 3.03Å; A172-K175 PolarHBondContact O-N 2.89Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 3.33Å; K175-A178 PolarHBondContact O-N 2.69Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.79Å |
| 176 | K | 97.7 | Very high | 97 | Very high | 138 Ų | 138 | 88.7 Ų | 88.7 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.5 | -48.3 | 175.8 | 177.5 | -170.1 | 171.8 | -166.3 | 0 | 110.7 | A172 E173 Q179 I180 | A172-K176 WeakPolarHBondContact O-CB 3.43Å; A172-K176 PolarHBondContact O-N 3.27Å; E173-K176 WeakPolarHBondContact O-CB 3.23Å; E173-K176 PolarHBondContact O-N 3.15Å; K176-Q179 PolarHBondContact O-N 3.49Å; K176-I180 HydrophobicContact CG-CD1 4.04Å; K176-I180 WeakPolarHBondContact O-CG1 3.35Å; K176-I180 PolarHBondContact O-N 2.98Å |
| 177 | Q | 96.7 | Very high | 97 | Very high | 100 Ų | 100 | 89.5 Ų | 89.5 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | -179.3 | -169.8 | 58.9 | 29.1 | 0 | 0 | 111.8 | E173 G174 Q179 I180 L181 | E173-Q177 WeakPolarHBondContact O-CB 3.43Å; E173-Q177 PolarHBondContact O-N 3.41Å; G174-Q177 PolarHBondContact O-N 3.44Å; Q177-Q179 VanDerWaalsContact C-N 3.35Å; Q177-Q179 PolarHBondContact O-N 2.93Å; Q177-I180 PolarHBondContact O-N 3.42Å; Q177-L181 HydrophobicContact CG-CD1 4.04Å; Q177-L181 WeakPolarHBondContact O-CB 3.35Å; Q177-L181 WeakPolarHBondContact O-CG 3.35Å; Q177-L181 PolarHBondContact O-N 2.91Å |
| 178 | A | 96.9 | Very high | 96.9 | Very high | 57 Ų | 57 | 88.3 Ų | 88.3 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G174 K175 L181 A182 | G174-A178 VanDerWaalsContact O-CB 3.3Å; G174-A178 WeakPolarHBondContact O-CB 3.48Å; G174-A178 PolarHBondContact O-N 3.47Å; K175-A178 PolarHBondContact O-N 2.69Å; A178-L181 PolarHBondContact O-N 2.79Å; A178-A182 VanDerWaalsContact O-CB 3.31Å; A178-A182 WeakPolarHBondContact O-CB 3.03Å; A178-A182 PolarHBondContact O-N 2.82Å |
| 179 | Q | 97.5 | Very high | 96.8 | Very high | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -38.1 | 177.7 | -172.7 | 63.6 | 66 | 0 | 0 | 112.6 | K175 K176 Q177 S183 | K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.79Å; K176-Q179 PolarHBondContact O-N 3.49Å; Q177-Q179 VanDerWaalsContact C-N 3.35Å; Q177-Q179 PolarHBondContact O-N 2.93Å; Q179-S183 PolarHBondContact O-N 2.91Å; Q179-S183 VanDerWaalsContact O-N 3.12Å |
| 180 | I | 97 | Very high | 96.8 | Very high | 65 Ų | 65 | 92.8 Ų | 92.8 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -52.6 | 174.3 | -68.2 | 165.3 | 0 | 0 | 0 | 109.7 | K176 Q177 A182 S183 E184 | K176-I180 HydrophobicContact CG-CD1 4.04Å; K176-I180 WeakPolarHBondContact O-CG1 3.35Å; K176-I180 PolarHBondContact O-N 2.98Å; Q177-I180 PolarHBondContact O-N 3.42Å; I180-A182 VanDerWaalsContact C-N 3.28Å; I180-A182 PolarHBondContact O-N 3.32Å; I180-S183 PolarHBondContact O-N 2.83Å; I180-S183 VanDerWaalsContact O-N 3.1Å; I180-E184 HydrophobicContact CG2-CG 4.39Å; I180-E184 WeakPolarHBondContact O-CG 3.25Å; I180-E184 PolarHBondContact O-N 2.88Å |
| 181 | L | 96.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 93.3 Ų | 93.3 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 178.6 | -74.7 | 165 | 0 | 0 | 0 | 112.5 | Q177 A178 A185 | Q177-L181 HydrophobicContact CG-CD1 4.04Å; Q177-L181 WeakPolarHBondContact O-CB 3.35Å; Q177-L181 WeakPolarHBondContact O-CG 3.35Å; Q177-L181 PolarHBondContact O-N 2.91Å; A178-L181 PolarHBondContact O-N 2.79Å; L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.34Å; L181-A185 PolarHBondContact O-N 2.81Å |
| 182 | A | 96.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 95 Ų | 95 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A178 I180 A185 E186 | A178-A182 VanDerWaalsContact O-CB 3.31Å; A178-A182 WeakPolarHBondContact O-CB 3.03Å; A178-A182 PolarHBondContact O-N 2.82Å; I180-A182 VanDerWaalsContact C-N 3.28Å; I180-A182 PolarHBondContact O-N 3.32Å; A182-A185 PolarHBondContact O-N 3.06Å; A182-E186 WeakPolarHBondContact O-CB 3.34Å; A182-E186 PolarHBondContact O-N 3.36Å |
| 183 | S | 96.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 97.6 Ų | 97.6 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.4 | -175 | 0 | 0 | 0 | 0 | 112.4 | Q179 I180 K187 | Q179-S183 PolarHBondContact O-N 2.91Å; Q179-S183 VanDerWaalsContact O-N 3.12Å; I180-S183 PolarHBondContact O-N 2.83Å; I180-S183 VanDerWaalsContact O-N 3.1Å; S183-K187 WeakPolarHBondContact O-CB 3.39Å; S183-K187 PolarHBondContact O-N 2.83Å |
| 184 | E | 96.3 | Very high | 96.4 | Very high | 115 Ų | 115 | 94.8 Ų | 94.8 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 173.4 | -71.4 | 177.8 | 165.2 | 0 | 0 | 111.8 | I180 A188 | I180-E184 HydrophobicContact CG2-CG 4.39Å; I180-E184 WeakPolarHBondContact O-CG 3.25Å; I180-E184 PolarHBondContact O-N 2.88Å; E184-A188 WeakPolarHBondContact O-CB 3.42Å; E184-A188 PolarHBondContact O-N 3.06Å |
| 185 | A | 96.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L181 A182 K187 A188 E189 | L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.34Å; L181-A185 PolarHBondContact O-N 2.81Å; A182-A185 PolarHBondContact O-N 3.06Å; A185-K187 PolarHBondContact O-N 3.14Å; A185-A188 PolarHBondContact O-N 3.27Å; A185-E189 WeakPolarHBondContact O-CB 3.49Å; A185-E189 PolarHBondContact O-N 3.48Å |
| 186 | E | 96.3 | Very high | 96.1 | Very high | 109 Ų | 109 | 90.2 Ų | 90.2 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.8 | -173.2 | -172.2 | 169 | 0 | 0 | 111.3 | A182 A188 E189 Q190 | A182-E186 WeakPolarHBondContact O-CB 3.34Å; A182-E186 PolarHBondContact O-N 3.36Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 3.22Å; E186-E189 PolarHBondContact O-N 3.12Å; E186-Q190 WeakPolarHBondContact O-CG 3.4Å; E186-Q190 PolarHBondContact O-N 2.84Å; E186-Q190 PolarHBondContact OE1-NE2 3.47Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.09Å |
| 187 | K | 96.7 | Very high | 96 | Very high | 140 Ų | 140 | 88.9 Ų | 88.9 | 61% | 0.609 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -43.2 | 174.9 | 179.1 | -177.8 | 174.8 | -175 | 0 | 111.8 | S183 A185 I191 | S183-K187 WeakPolarHBondContact O-CB 3.39Å; S183-K187 PolarHBondContact O-N 2.83Å; A185-K187 PolarHBondContact O-N 3.14Å; K187-I191 HydrophobicContact CG-CD1 4Å; K187-I191 WeakPolarHBondContact O-CD1 3.48Å; K187-I191 VanDerWaalsContact O-CG1 3.24Å; K187-I191 WeakPolarHBondContact O-CG1 3.48Å; K187-I191 PolarHBondContact O-N 2.87Å; K187-I191 VanDerWaalsContact O-N 3.1Å |
| 188 | A | 95.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 86.7 Ų | 86.7 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E184 A185 E186 I191 N192 | E184-A188 WeakPolarHBondContact O-CB 3.42Å; E184-A188 PolarHBondContact O-N 3.06Å; A185-A188 PolarHBondContact O-N 3.27Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 3.22Å; A188-I191 PolarHBondContact O-N 2.78Å; A188-N192 VanDerWaalsContact O-CB 3.31Å; A188-N192 WeakPolarHBondContact O-CB 3.36Å; A188-N192 PolarHBondContact O-N 2.92Å; A188-N192 PolarHBondContact O-ND2 2.86Å; A188-N192 VanDerWaalsContact O-ND2 3.13Å |
| 189 | E | 95.5 | Very high | 95.6 | Very high | 130 Ų | 130 | 87.3 Ų | 87.3 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -50.1 | 175.2 | -176.5 | 172.2 | -167.9 | 0 | 0 | 111.5 | A185 E186 I191 N192 Q193 | A185-E189 WeakPolarHBondContact O-CB 3.49Å; A185-E189 PolarHBondContact O-N 3.48Å; E186-E189 PolarHBondContact O-N 3.12Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.76Å; E189-N192 PolarHBondContact O-N 2.86Å; E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 3.01Å |
| 190 | Q | 95.4 | Very high | 95.4 | Very high | 112 Ų | 112 | 82.8 Ų | 82.8 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.9 | -69.5 | 179.4 | 22.6 | 0 | 0 | 112.3 | E186 A194 | E186-Q190 WeakPolarHBondContact O-CG 3.4Å; E186-Q190 PolarHBondContact O-N 2.84Å; E186-Q190 PolarHBondContact OE1-NE2 3.47Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.09Å; Q190-A194 WeakPolarHBondContact O-CB 3.41Å; Q190-A194 PolarHBondContact O-N 3.42Å |
| 191 | I | 96 | Very high | 95.2 | Very high | 101 Ų | 101 | 84.3 Ų | 84.3 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.5 | -70.4 | 166.5 | 0 | 0 | 0 | 110.9 | K187 A188 E189 A194 A195 | K187-I191 HydrophobicContact CG-CD1 4Å; K187-I191 WeakPolarHBondContact O-CD1 3.48Å; K187-I191 VanDerWaalsContact O-CG1 3.24Å; K187-I191 WeakPolarHBondContact O-CG1 3.48Å; K187-I191 PolarHBondContact O-N 2.87Å; K187-I191 VanDerWaalsContact O-N 3.1Å; A188-I191 PolarHBondContact O-N 2.78Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.76Å; I191-A194 PolarHBondContact O-N 2.87Å; I191-A195 VanDerWaalsContact O-CB 3.27Å; I191-A195 WeakPolarHBondContact O-CB 3.39Å; I191-A195 PolarHBondContact O-N 3.33Å |
| 192 | N | 94.8 | Very high | 95.1 | Very high | 114 Ų | 114 | 85.1 Ų | 85.1 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 179.7 | -73.1 | -26.5 | 0 | 0 | 0 | 111.8 | A188 E189 G196 | A188-N192 VanDerWaalsContact O-CB 3.31Å; A188-N192 WeakPolarHBondContact O-CB 3.36Å; A188-N192 PolarHBondContact O-N 2.92Å; A188-N192 PolarHBondContact O-ND2 2.86Å; A188-N192 VanDerWaalsContact O-ND2 3.13Å; E189-N192 PolarHBondContact O-N 2.86Å; N192-G196 PolarHBondContact O-N 2.98Å |
| 193 | Q | 95.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 85.4 Ų | 85.4 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -49.9 | 175.2 | -176.9 | 175.8 | -11.2 | 0 | 0 | 111.1 | E189 A195 G196 E197 | E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 3.01Å; Q193-A195 VanDerWaalsContact C-N 3.33Å; Q193-A195 PolarHBondContact O-N 3.18Å; Q193-G196 CarbonylContact O-C 3.59Å; Q193-G196 WeakPolarHBondContact O-CA 3.38Å; Q193-G196 PolarHBondContact O-N 3.18Å; Q193-G196 VanDerWaalsContact O-N 3.12Å; Q193-E197 HydrophobicContact CG-CG 4.47Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.42Å; Q193-E197 PolarHBondContact NE2-OE1 3.39Å; Q193-E197 WeakPolarHBondContact O-CG 3.31Å; Q193-E197 PolarHBondContact O-N 3.4Å |
| 194 | A | 94.9 | Very high | 94.7 | Very high | 59 Ų | 59 | 88.8 Ų | 88.8 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q190 I191 A198 | Q190-A194 WeakPolarHBondContact O-CB 3.41Å; Q190-A194 PolarHBondContact O-N 3.42Å; I191-A194 PolarHBondContact O-N 2.87Å; A194-A198 VanDerWaalsContact O-CB 3.29Å; A194-A198 WeakPolarHBondContact O-CB 3.22Å; A194-A198 PolarHBondContact O-N 2.88Å |
| 195 | A | 94.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 85.8 Ų | 85.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | I191 Q193 S199 | I191-A195 VanDerWaalsContact O-CB 3.27Å; I191-A195 WeakPolarHBondContact O-CB 3.39Å; I191-A195 PolarHBondContact O-N 3.33Å; Q193-A195 VanDerWaalsContact C-N 3.33Å; Q193-A195 PolarHBondContact O-N 3.18Å; A195-S199 VanDerWaalsContact O-CB 3.3Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 3.09Å; A195-S199 PolarHBondContact O-OG 3.03Å |
| 196 | G | 95.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 90.3 Ų | 90.3 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | N192 Q193 S199 A200 | N192-G196 PolarHBondContact O-N 2.98Å; Q193-G196 CarbonylContact O-C 3.59Å; Q193-G196 WeakPolarHBondContact O-CA 3.38Å; Q193-G196 PolarHBondContact O-N 3.18Å; Q193-G196 VanDerWaalsContact O-N 3.12Å; G196-S199 PolarHBondContact O-N 2.86Å; G196-S199 PolarHBondContact O-OG 2.97Å; G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 3.42Å |
| 197 | E | 94.3 | Very high | 94 | Very high | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 177.1 | -72 | 177.4 | -163.2 | 0 | 0 | 112.1 | Q193 S199 A200 V201 | Q193-E197 HydrophobicContact CG-CG 4.47Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.42Å; Q193-E197 PolarHBondContact NE2-OE1 3.39Å; Q193-E197 WeakPolarHBondContact O-CG 3.31Å; Q193-E197 PolarHBondContact O-N 3.4Å; E197-S199 PolarHBondContact O-N 3.34Å; E197-A200 PolarHBondContact O-N 3.04Å; E197-V201 WeakPolarHBondContact O-CG2 3.28Å; E197-V201 PolarHBondContact O-N 3.16Å |
| 198 | A | 93.4 | Very high | 93.5 | Very high | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A194 A200 V201 L202 | A194-A198 VanDerWaalsContact O-CB 3.29Å; A194-A198 WeakPolarHBondContact O-CB 3.22Å; A194-A198 PolarHBondContact O-N 2.88Å; A198-A200 PolarHBondContact O-N 3.48Å; A198-V201 PolarHBondContact O-N 2.92Å; A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 2.97Å |
| 199 | S | 93.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 89 Ų | 89 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 176.7 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | A195 G196 E197 L202 A203 | A195-S199 VanDerWaalsContact O-CB 3.3Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 3.09Å; A195-S199 PolarHBondContact O-OG 3.03Å; G196-S199 PolarHBondContact O-N 2.86Å; G196-S199 PolarHBondContact O-OG 2.97Å; E197-S199 PolarHBondContact O-N 3.34Å; S199-L202 PolarHBondContact O-N 3.18Å; S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 3.21Å |
| 200 | A | 92.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 89 Ų | 89 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G196 E197 A198 K204 | G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 3.42Å; E197-A200 PolarHBondContact O-N 3.04Å; A198-A200 PolarHBondContact O-N 3.48Å; A200-K204 WeakPolarHBondContact O-CB 3.25Å; A200-K204 WeakPolarHBondContact O-CG 3.41Å; A200-K204 PolarHBondContact O-N 3.32Å |
| 201 | V | 92.7 | Very high | 92.3 | Very high | 96 Ų | 96 | 86.3 Ų | 86.3 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -46.3 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | E197 A198 A203 K204 A205 | E197-V201 WeakPolarHBondContact O-CG2 3.28Å; E197-V201 PolarHBondContact O-N 3.16Å; A198-V201 PolarHBondContact O-N 2.92Å; V201-A203 PolarHBondContact O-N 2.99Å; V201-K204 PolarHBondContact O-N 3.28Å; V201-A205 VanDerWaalsContact O-CB 3.28Å; V201-A205 WeakPolarHBondContact O-CB 3.47Å; V201-A205 PolarHBondContact O-N 3.49Å |
| 202 | L | 93.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 87 Ų | 87 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 176.2 | -74.3 | 174.5 | 0 | 0 | 0 | 112.5 | A198 S199 A205 K206 | A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 2.97Å; S199-L202 PolarHBondContact O-N 3.18Å; L202-A205 PolarHBondContact O-N 3.34Å; L202-K206 WeakPolarHBondContact O-CB 3.24Å; L202-K206 WeakPolarHBondContact O-CG 3.38Å; L202-K206 PolarHBondContact O-N 2.72Å |
| 203 | A | 92.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 91.1 Ų | 91.1 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S199 V201 A205 K206 A207 | S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 3.21Å; V201-A203 PolarHBondContact O-N 2.99Å; A203-A205 VanDerWaalsContact C-N 3.35Å; A203-A205 PolarHBondContact O-N 3.05Å; A203-K206 PolarHBondContact O-N 2.88Å; A203-A207 WeakPolarHBondContact O-CB 3.42Å; A203-A207 PolarHBondContact O-N 3.28Å |
| 204 | K | 91.9 | Very high | 90.7 | Very high | 143 Ų | 143 | 91.1 Ų | 91.1 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 174.7 | -73.1 | 169.4 | -176.1 | 174.4 | 0 | 112.1 | A200 V201 K208 | A200-K204 WeakPolarHBondContact O-CB 3.25Å; A200-K204 WeakPolarHBondContact O-CG 3.41Å; A200-K204 PolarHBondContact O-N 3.32Å; V201-K204 PolarHBondContact O-N 3.28Å; K204-K208 WeakPolarHBondContact O-CB 3.37Å; K204-K208 VanDerWaalsContact O-CG 3.32Å; K204-K208 WeakPolarHBondContact O-CG 3.48Å; K204-K208 PolarHBondContact O-N 2.71Å |
| 205 | A | 90.8 | Very high | 89.9 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V201 L202 A203 K208 A209 | V201-A205 VanDerWaalsContact O-CB 3.28Å; V201-A205 WeakPolarHBondContact O-CB 3.47Å; V201-A205 PolarHBondContact O-N 3.49Å; L202-A205 PolarHBondContact O-N 3.34Å; A203-A205 VanDerWaalsContact C-N 3.35Å; A203-A205 PolarHBondContact O-N 3.05Å; A205-K208 PolarHBondContact O-N 3.06Å; A205-A209 WeakPolarHBondContact O-CB 3.39Å; A205-A209 PolarHBondContact O-N 2.86Å |
| 206 | K | 93.1 | Very high | 88.9 | Confident | 153 Ų | 153 | 92.8 Ų | 92.8 | 67% | 0.665 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60 | -50.2 | 173.4 | -75.3 | 176.9 | 178.9 | -178.2 | 0 | 111.6 | L202 A203 K208 A209 E210 | L202-K206 WeakPolarHBondContact O-CB 3.24Å; L202-K206 WeakPolarHBondContact O-CG 3.38Å; L202-K206 PolarHBondContact O-N 2.72Å; A203-K206 PolarHBondContact O-N 2.88Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.08Å; K206-A209 PolarHBondContact O-N 2.92Å; K206-A209 VanDerWaalsContact O-N 3.15Å; K206-E210 WeakPolarHBondContact O-CB 3.42Å; K206-E210 PolarHBondContact O-N 3.47Å |
| 207 | A | 91.1 | Very high | 88 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A203 A211 | A203-A207 WeakPolarHBondContact O-CB 3.42Å; A203-A207 PolarHBondContact O-N 3.28Å; A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.97Å |
| 208 | K | 86.7 | Confident | 87 | Confident | 149 Ų | 149 | 91.7 Ų | 91.7 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 172.6 | -78.6 | 179.9 | 176.3 | -172.8 | 0 | 112.5 | K204 A205 K206 E210 A211 I212 | K204-K208 WeakPolarHBondContact O-CB 3.37Å; K204-K208 VanDerWaalsContact O-CG 3.32Å; K204-K208 WeakPolarHBondContact O-CG 3.48Å; K204-K208 PolarHBondContact O-N 2.71Å; A205-K208 PolarHBondContact O-N 3.06Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.08Å; K208-E210 VanDerWaalsContact C-N 3.32Å; K208-E210 PolarHBondContact O-N 3.02Å; K208-A211 PolarHBondContact O-N 3.35Å; K208-I212 WeakPolarHBondContact O-CB 3.42Å; K208-I212 VanDerWaalsContact O-CG1 3.24Å; K208-I212 WeakPolarHBondContact O-CG1 3.47Å; K208-I212 PolarHBondContact O-N 2.84Å |
| 209 | A | 88.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 91.4 Ų | 91.4 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A205 K206 R213 | A205-A209 WeakPolarHBondContact O-CB 3.39Å; A205-A209 PolarHBondContact O-N 2.86Å; K206-A209 PolarHBondContact O-N 2.92Å; K206-A209 VanDerWaalsContact O-N 3.15Å; A209-R213 WeakPolarHBondContact O-CB 3.4Å; A209-R213 PolarHBondContact O-N 2.86Å |
| 210 | E | 88.3 | Confident | 84.4 | Confident | 128 Ų | 128 | 93.8 Ų | 93.8 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 175 | -172.4 | 165 | -153.9 | 0 | 0 | 111.8 | K206 K208 I212 R213 I214 | K206-E210 WeakPolarHBondContact O-CB 3.42Å; K206-E210 PolarHBondContact O-N 3.47Å; K208-E210 VanDerWaalsContact C-N 3.32Å; K208-E210 PolarHBondContact O-N 3.02Å; E210-I212 PolarHBondContact O-N 3.31Å; E210-R213 PolarHBondContact O-N 3.36Å; E210-I214 HydrophobicContact CG-CD1 4.2Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.02Å |
| 211 | A | 84.8 | Confident | 83.1 | Confident | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.7 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A207 K208 R213 I214 L215 | A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.97Å; K208-A211 PolarHBondContact O-N 3.35Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 2.99Å; A211-I214 PolarHBondContact O-N 3.35Å; A211-L215 WeakPolarHBondContact O-CB 3.11Å; A211-L215 PolarHBondContact O-N 3.48Å |
| 212 | I | 83.9 | Confident | 81.1 | Confident | 115 Ų | 115 | 104 Ų | 104 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | 174.4 | -70.6 | 164.3 | 0 | 0 | 0 | 110.6 | K208 E210 L215 A216 | K208-I212 WeakPolarHBondContact O-CB 3.42Å; K208-I212 VanDerWaalsContact O-CG1 3.24Å; K208-I212 WeakPolarHBondContact O-CG1 3.47Å; K208-I212 PolarHBondContact O-N 2.84Å; E210-I212 PolarHBondContact O-N 3.31Å; I212-L215 PolarHBondContact O-N 2.79Å; I212-A216 WeakPolarHBondContact O-CB 3.27Å; I212-A216 PolarHBondContact O-N 3.18Å |
| 213 | R | 84.7 | Confident | 79.4 | Confident | 200 Ų | 200 | 105.3 Ų | 105.3 | 76% | 0.755 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 177.9 | 179 | -178.2 | 151.4 | 132.9 | 0.1 | 112.2 | A209 E210 A211 A217 | A209-R213 WeakPolarHBondContact O-CB 3.4Å; A209-R213 PolarHBondContact O-N 2.86Å; E210-R213 PolarHBondContact O-N 3.36Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 2.99Å; R213-A217 PolarHBondContact O-N 2.93Å; R213-A217 VanDerWaalsContact O-N 3.12Å |
| 214 | I | 84.5 | Confident | 77.9 | Confident | 113 Ų | 113 | 103 Ų | 103 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -46 | 173.8 | -68.1 | 164.7 | 0 | 0 | 0 | 110 | E210 A211 A217 A218 | E210-I214 HydrophobicContact CG-CD1 4.2Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.02Å; A211-I214 PolarHBondContact O-N 3.35Å; I214-A217 PolarHBondContact O-N 3.31Å; I214-A218 PolarHBondContact O-N 2.9Å |
| 215 | L | 77.4 | Confident | 76.5 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -45 | 178.1 | -176.3 | 62.4 | 0 | 0 | 0 | 111.7 | A211 I212 A217 A218 L219 | A211-L215 WeakPolarHBondContact O-CB 3.11Å; A211-L215 PolarHBondContact O-N 3.48Å; I212-L215 PolarHBondContact O-N 2.79Å; L215-A217 VanDerWaalsContact C-N 3.31Å; L215-A217 PolarHBondContact O-N 3.4Å; L215-A218 PolarHBondContact O-N 3.14Å; L215-A218 VanDerWaalsContact O-N 3.12Å; L215-L219 HydrophobicContact CD1-CD1 4.3Å; L215-L219 HydrophobicContact CD1-CG 4.19Å; L215-L219 HydrophobicContact CD2-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 3.88Å; L215-L219 HydrophobicContact CG-CG 4.23Å; L215-L219 WeakPolarHBondContact O-CB 3.12Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.98Å |
| 216 | A | 73.6 | Confident | 75.1 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I212 L219 T220 | I212-A216 WeakPolarHBondContact O-CB 3.27Å; I212-A216 PolarHBondContact O-N 3.18Å; A216-L219 PolarHBondContact O-N 2.78Å; A216-T220 PolarHBondContact O-N 3.42Å; A216-T220 PolarHBondContact O-OG1 2.95Å |
| 217 | A | 77 | Confident | 73.6 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | R213 I214 L215 T220 | R213-A217 PolarHBondContact O-N 2.93Å; R213-A217 VanDerWaalsContact O-N 3.12Å; I214-A217 PolarHBondContact O-N 3.31Å; L215-A217 VanDerWaalsContact C-N 3.31Å; L215-A217 PolarHBondContact O-N 3.4Å; A217-T220 PolarHBondContact O-OG1 2.95Å |
| 218 | A | 73.2 | Confident | 72.4 | Confident | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I214 L215 T220 Q221 | I214-A218 PolarHBondContact O-N 2.9Å; L215-A218 PolarHBondContact O-N 3.14Å; L215-A218 VanDerWaalsContact O-N 3.12Å; A218-T220 PolarHBondContact O-N 2.96Å; A218-Q221 PolarHBondContact O-N 3.1Å; A218-Q221 VanDerWaalsContact O-N 3.12Å |
| 219 | L | 67 | Low | 71.5 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 26% | 0.257 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -19.3 | 178.2 | -69.6 | 172.5 | 0 | 0 | 0 | 113.6 | L215 A216 Q221 G224 A228 | L215-L219 HydrophobicContact CD1-CD1 4.3Å; L215-L219 HydrophobicContact CD1-CG 4.19Å; L215-L219 HydrophobicContact CD2-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 3.88Å; L215-L219 HydrophobicContact CG-CG 4.23Å; L215-L219 WeakPolarHBondContact O-CB 3.12Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.98Å; A216-L219 PolarHBondContact O-N 2.78Å; L219-Q221 PolarHBondContact O-N 3.09Å; L219-G224 VanDerWaalsContact CD2-O 3.23Å; L219-G224 WeakPolarHBondContact CD2-O 3.43Å; L219-A228 HydrophobicContact CD1-CB 4.03Å; L219-A228 HydrophobicContact CD2-CB 3.88Å |
| 220 | T | 65.1 | Low | 70.6 | Confident | 121 Ų | 121 | 95.4 Ų | 95.4 | 74% | 0.742 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.1 | 173.7 | -3.7 | 0 | 0 | 0 | 0 | 113.3 | A216 A217 A218 | A216-T220 PolarHBondContact O-N 3.42Å; A216-T220 PolarHBondContact O-OG1 2.95Å; A217-T220 PolarHBondContact O-OG1 2.95Å; A218-T220 PolarHBondContact O-N 2.96Å |
| 221 | Q | 64.6 | Low | 69.8 | Low | 150 Ų | 150 | 92.3 Ų | 92.3 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 155.6 | 169.9 | -62.4 | -174.9 | -12 | 0 | 0 | 110.5 | A218 L219 N223 G224 | A218-Q221 PolarHBondContact O-N 3.1Å; A218-Q221 VanDerWaalsContact O-N 3.12Å; L219-Q221 PolarHBondContact O-N 3.09Å; Q221-N223 PolarHBondContact O-N 2.92Å; Q221-G224 PolarHBondContact O-N 3.01Å |
| 222 | H | 51.3 | Low | 69.3 | Low | 200 Ų | 200 | 94.1 Ų | 94.1 | 93% | 0.926 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.9 | 123.8 | -163.5 | -96.7 | -93.5 | 0 | 0 | 0 | 115.7 | ||
| 223 | N | 57.2 | Low | 68.7 | Low | 136 Ų | 136 | 91.1 Ų | 91.1 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 27.7 | 170.4 | -150 | 31.7 | 0 | 0 | 0 | 116.7 | Q221 D225 | Q221-N223 PolarHBondContact O-N 2.92Å; N223-D225 PolarHBondContact O-N 3.46Å |
| 224 | G | 61.1 | Low | 68.3 | Low | 10 Ų | 10 | 87.3 Ų | 87.3 | 10% | 0.103 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | L219 Q221 A226 A227 A228 | L219-G224 VanDerWaalsContact CD2-O 3.23Å; L219-G224 WeakPolarHBondContact CD2-O 3.43Å; Q221-G224 PolarHBondContact O-N 3.01Å; G224-A226 VanDerWaalsContact C-N 3.27Å; G224-A226 PolarHBondContact O-N 3.42Å; G224-A227 WeakPolarHBondContact O-CA 3.41Å; G224-A227 WeakPolarHBondContact O-CB 3.36Å; G224-A227 PolarHBondContact O-N 3.14Å; G224-A228 PolarHBondContact O-N 3.06Å |
| 225 | D | 63.5 | Low | 68 | Low | 136 Ų | 136 | 87.9 Ų | 87.9 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -32 | -171.9 | -61.7 | -38.7 | 0 | 0 | 0 | 113.9 | N223 S229 | N223-D225 PolarHBondContact O-N 3.46Å; D225-S229 PolarHBondContact O-N 3.4Å; D225-S229 PolarHBondContact O-OG 2.95Å |
| 226 | A | 60.9 | Low | 67.8 | Low | 57 Ų | 57 | 90.7 Ų | 90.7 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -31.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G224 S229 L230 | G224-A226 VanDerWaalsContact C-N 3.27Å; G224-A226 PolarHBondContact O-N 3.42Å; A226-S229 PolarHBondContact O-OG 3.28Å; A226-S229 VanDerWaalsContact O-OG 3.11Å; A226-L230 PolarHBondContact O-N 3.09Å |
| 227 | A | 61.8 | Low | 68 | Low | 54 Ų | 54 | 92.7 Ų | 92.7 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.4 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G224 S229 L230 T231 | G224-A227 WeakPolarHBondContact O-CA 3.41Å; G224-A227 WeakPolarHBondContact O-CB 3.36Å; G224-A227 PolarHBondContact O-N 3.14Å; A227-S229 PolarHBondContact O-N 2.99Å; A227-L230 PolarHBondContact O-N 3.07Å; A227-T231 PolarHBondContact O-N 3.05Å; A227-T231 PolarHBondContact O-OG1 2.89Å; A227-T231 VanDerWaalsContact O-OG1 3.06Å |
| 228 | A | 65.1 | Low | 68.1 | Low | 31 Ų | 31 | 92.5 Ų | 92.5 | 26% | 0.256 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L219 G224 T231 V232 | L219-A228 HydrophobicContact CD1-CB 4.03Å; L219-A228 HydrophobicContact CD2-CB 3.88Å; G224-A228 PolarHBondContact O-N 3.06Å; A228-T231 PolarHBondContact O-N 3.4Å; A228-V232 WeakPolarHBondContact O-CG2 3.46Å; A228-V232 PolarHBondContact O-N 3.01Å |
| 229 | S | 68.6 | Low | 68.3 | Low | 75 Ų | 75 | 92.6 Ų | 92.6 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.7 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | D225 A226 A227 V232 A233 | D225-S229 PolarHBondContact O-N 3.4Å; D225-S229 PolarHBondContact O-OG 2.95Å; A226-S229 PolarHBondContact O-OG 3.28Å; A226-S229 VanDerWaalsContact O-OG 3.11Å; A227-S229 PolarHBondContact O-N 2.99Å; S229-V232 PolarHBondContact O-N 2.85Å; S229-A233 PolarHBondContact O-N 3.12Å; S229-A233 VanDerWaalsContact O-N 3.1Å |
| 230 | L | 68.2 | Low | 68.6 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 172.4 | -176.5 | 63.9 | 0 | 0 | 0 | 112 | A226 A227 V232 A233 E234 | A226-L230 PolarHBondContact O-N 3.09Å; A227-L230 PolarHBondContact O-N 3.07Å; L230-V232 VanDerWaalsContact C-N 3.31Å; L230-V232 PolarHBondContact O-N 3.33Å; L230-A233 WeakPolarHBondContact O-CB 3.46Å; L230-A233 PolarHBondContact O-N 2.86Å; L230-A233 VanDerWaalsContact O-N 3.14Å; L230-E234 WeakPolarHBondContact O-CG 3.08Å; L230-E234 PolarHBondContact O-N 3.43Å |
| 231 | T | 71.3 | Confident | 69 | Low | 63 Ų | 63 | 93 Ų | 93 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | A227 A228 Q235 | A227-T231 PolarHBondContact O-N 3.05Å; A227-T231 PolarHBondContact O-OG1 2.89Å; A227-T231 VanDerWaalsContact O-OG1 3.06Å; A228-T231 PolarHBondContact O-N 3.4Å; T231-Q235 WeakPolarHBondContact O-CB 3.4Å; T231-Q235 WeakPolarHBondContact O-CG 3.15Å; T231-Q235 PolarHBondContact O-N 3.08Å |
| 232 | V | 75.1 | Confident | 69.5 | Low | 96 Ų | 96 | 92.5 Ų | 92.5 | 58% | 0.582 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | A228 S229 L230 Q235 Y236 | A228-V232 WeakPolarHBondContact O-CG2 3.46Å; A228-V232 PolarHBondContact O-N 3.01Å; S229-V232 PolarHBondContact O-N 2.85Å; L230-V232 VanDerWaalsContact C-N 3.31Å; L230-V232 PolarHBondContact O-N 3.33Å; V232-Q235 PolarHBondContact O-N 3.15Å; V232-Y236 WeakPolarHBondContact O-CB 3.34Å; V232-Y236 PolarHBondContact O-N 3.45Å |
| 233 | A | 71.6 | Confident | 70.1 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S229 L230 Y236 V237 | S229-A233 PolarHBondContact O-N 3.12Å; S229-A233 VanDerWaalsContact O-N 3.1Å; L230-A233 WeakPolarHBondContact O-CB 3.46Å; L230-A233 PolarHBondContact O-N 2.86Å; L230-A233 VanDerWaalsContact O-N 3.14Å; A233-Y236 PolarHBondContact O-N 3.4Å; A233-V237 WeakPolarHBondContact O-CG2 3.09Å; A233-V237 PolarHBondContact O-N 3.39Å |
| 234 | E | 75.4 | Confident | 70.4 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 174.9 | -71.8 | 179 | 172.1 | 0 | 0 | 112.2 | L230 Y236 V237 S238 | L230-E234 WeakPolarHBondContact O-CG 3.08Å; L230-E234 PolarHBondContact O-N 3.43Å; E234-Y236 PolarHBondContact O-N 3.41Å; E234-V237 PolarHBondContact O-N 2.87Å; E234-S238 WeakPolarHBondContact O-CB 3.32Å; E234-S238 PolarHBondContact O-N 2.96Å |
| 235 | Q | 78.8 | Confident | 70.6 | Confident | 125 Ų | 125 | 92 Ų | 92 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 175.4 | -75.9 | -177.5 | 32.8 | 0 | 0 | 111.7 | T231 V232 S238 A239 | T231-Q235 WeakPolarHBondContact O-CB 3.4Å; T231-Q235 WeakPolarHBondContact O-CG 3.15Å; T231-Q235 PolarHBondContact O-N 3.08Å; V232-Q235 PolarHBondContact O-N 3.15Å; Q235-S238 PolarHBondContact O-N 3.3Å; Q235-S238 PolarHBondContact O-OG 3.23Å; Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 3.33Å |
| 236 | Y | 73.8 | Confident | 70.4 | Confident | 155 Ų | 155 | 92.6 Ų | 92.6 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -48.8 | 176.4 | -177.7 | -93.6 | 0 | 0 | 0 | 111.9 | V232 A233 E234 S238 A239 F240 | V232-Y236 WeakPolarHBondContact O-CB 3.34Å; V232-Y236 PolarHBondContact O-N 3.45Å; A233-Y236 PolarHBondContact O-N 3.4Å; E234-Y236 PolarHBondContact O-N 3.41Å; Y236-S238 VanDerWaalsContact C-N 3.33Å; Y236-S238 PolarHBondContact O-N 3.15Å; Y236-A239 PolarHBondContact O-N 3.38Å; Y236-F240 WeakPolarHBondContact O-CB 3.43Å; Y236-F240 PolarHBondContact O-N 2.93Å |
| 237 | V | 78.4 | Confident | 69.5 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | A233 E234 S241 | A233-V237 WeakPolarHBondContact O-CG2 3.09Å; A233-V237 PolarHBondContact O-N 3.39Å; E234-V237 PolarHBondContact O-N 2.87Å; V237-S241 WeakPolarHBondContact O-CB 3.46Å; V237-S241 PolarHBondContact O-N 3.37Å |
| 238 | S | 78.1 | Confident | 69.2 | Low | 58 Ų | 58 | 97.8 Ų | 97.8 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 177.8 | 85 | 0 | 0 | 0 | 0 | 113.1 | E234 Q235 Y236 S241 K242 | E234-S238 WeakPolarHBondContact O-CB 3.32Å; E234-S238 PolarHBondContact O-N 2.96Å; Q235-S238 PolarHBondContact O-N 3.3Å; Q235-S238 PolarHBondContact O-OG 3.23Å; Y236-S238 VanDerWaalsContact C-N 3.33Å; Y236-S238 PolarHBondContact O-N 3.15Å; S238-S241 PolarHBondContact O-N 3.14Å; S238-K242 WeakPolarHBondContact O-CG 3.48Å; S238-K242 PolarHBondContact O-N 3.32Å |
| 239 | A | 77.8 | Confident | 68.5 | Low | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.4 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q235 Y236 S241 K242 L243 | Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 3.33Å; Y236-A239 PolarHBondContact O-N 3.38Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.03Å; A239-K242 PolarHBondContact O-N 3.21Å; A239-L243 WeakPolarHBondContact O-CB 3.42Å; A239-L243 PolarHBondContact O-N 3.25Å |
| 240 | F | 73.1 | Confident | 67.8 | Low | 118 Ų | 118 | 102.7 Ų | 102.7 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -42.6 | 172.6 | -169.1 | -94.1 | 0 | 0 | 0 | 111.7 | Y236 K242 L243 A244 | Y236-F240 WeakPolarHBondContact O-CB 3.43Å; Y236-F240 PolarHBondContact O-N 2.93Å; F240-K242 PolarHBondContact O-N 2.64Å; F240-L243 PolarHBondContact O-N 3.39Å; F240-A244 WeakPolarHBondContact O-CB 3.25Å; F240-A244 PolarHBondContact O-N 2.69Å |
| 241 | S | 74.2 | Confident | 67 | Low | 60 Ų | 60 | 105.3 Ų | 105.3 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -34.8 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | V237 S238 A239 K245 | V237-S241 WeakPolarHBondContact O-CB 3.46Å; V237-S241 PolarHBondContact O-N 3.37Å; S238-S241 PolarHBondContact O-N 3.14Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.03Å; S241-K245 WeakPolarHBondContact O-CG 3.5Å; S241-K245 PolarHBondContact O-N 3.1Å |
| 242 | K | 74.1 | Confident | 66.2 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.8 | -43 | 173.6 | -73.7 | 176.9 | 179.5 | 176.9 | 0 | 111.8 | S238 A239 F240 A244 K245 D246 | S238-K242 WeakPolarHBondContact O-CG 3.48Å; S238-K242 PolarHBondContact O-N 3.32Å; A239-K242 PolarHBondContact O-N 3.21Å; F240-K242 PolarHBondContact O-N 2.64Å; K242-A244 VanDerWaalsContact C-N 3.27Å; K242-A244 PolarHBondContact O-N 2.92Å; K242-K245 PolarHBondContact O-N 2.92Å; K242-D246 PolarHBondContact O-N 3.3Å; K242-D246 VanDerWaalsContact O-N 3.11Å |
| 243 | L | 64.3 | Low | 65.1 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 63% | 0.628 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.4 | -41.9 | 176 | -151.7 | 74.6 | 0 | 0 | 0 | 111.5 | A239 F240 K245 D246 S247 | A239-L243 WeakPolarHBondContact O-CB 3.42Å; A239-L243 PolarHBondContact O-N 3.25Å; F240-L243 PolarHBondContact O-N 3.39Å; L243-K245 PolarHBondContact O-N 3.21Å; L243-D246 PolarHBondContact O-N 2.66Å; L243-S247 PolarHBondContact O-N 3.02Å; L243-S247 VanDerWaalsContact O-N 3.12Å; L243-S247 PolarHBondContact O-OG 2.88Å |
| 244 | A | 64 | Low | 64.3 | Low | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.3 | -9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | F240 K242 I250 | F240-A244 WeakPolarHBondContact O-CB 3.25Å; F240-A244 PolarHBondContact O-N 2.69Å; K242-A244 VanDerWaalsContact C-N 3.27Å; K242-A244 PolarHBondContact O-N 2.92Å; A244-I250 HydrophobicContact CB-CD1 3.94Å |
| 245 | K | 64.4 | Low | 63.4 | Low | 168 Ų | 168 | 110.2 Ų | 110.2 | 73% | 0.73 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -97.6 | -38.6 | 173.2 | -77.1 | -179.8 | 177.8 | -176.3 | 0 | 113 | S241 K242 L243 | S241-K245 WeakPolarHBondContact O-CG 3.5Å; S241-K245 PolarHBondContact O-N 3.1Å; K242-K245 PolarHBondContact O-N 2.92Å; L243-K245 PolarHBondContact O-N 3.21Å |
| 246 | D | 58.7 | Low | 62.2 | Low | 150 Ų | 150 | 110.8 Ų | 110.8 | 80% | 0.802 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.8 | -19.9 | -174 | -66.5 | -23.4 | 0 | 0 | 0 | 113.6 | K242 L243 | K242-D246 PolarHBondContact O-N 3.3Å; K242-D246 VanDerWaalsContact O-N 3.11Å; L243-D246 PolarHBondContact O-N 2.66Å |
| 247 | S | 43.6 | Very low | 61.6 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 35% | 0.35 | 62% | 0.618 | S | S | . | * | trans | -111.2 | 108.3 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | L243 T249 | L243-S247 PolarHBondContact O-N 3.02Å; L243-S247 VanDerWaalsContact O-N 3.12Å; L243-S247 PolarHBondContact O-OG 2.88Å; S247-T249 PolarHBondContact O-N 3.12Å; S247-T249 VanDerWaalsContact O-N 3.14Å | ||
| 248 | N | 54.3 | Low | 60.7 | Low | 170 Ų | 170 | 105.8 Ų | 105.8 | 91% | 0.909 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -77 | 11.1 | -180 | -164.5 | 44 | 0 | 0 | 0 | 114.6 | ||
| 249 | T | 51.3 | Low | 59.8 | Low | 119 Ų | 119 | 107.9 Ų | 107.9 | 73% | 0.73 | 62% | 0.621 | S | S | * | * | trans | -133.9 | 83.8 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | S247 L251 | S247-T249 PolarHBondContact O-N 3.12Å; S247-T249 VanDerWaalsContact O-N 3.14Å; T249-L251 PolarHBondContact O-N 3.35Å | ||
| 250 | I | 53.2 | Low | 58.8 | Low | 89 Ų | 89 | 110 Ų | 110 | 46% | 0.456 | 63% | 0.628 | S | S | . | * | trans | -82.8 | 107.3 | 166.6 | -55.1 | 177.1 | 0 | 0 | 0 | 107.7 | A244 L252 | A244-I250 HydrophobicContact CB-CD1 3.94Å; I250-L252 VanDerWaalsContact C-N 3.26Å; I250-L252 HydrophobicContact CB-CD1 4.39Å; I250-L252 HydrophobicContact CG2-CD1 3.43Å; I250-L252 VanDerWaalsContact CG2-CD1 3.43Å; I250-L252 PolarHBondContact O-N 3.03Å | ||
| 251 | L | 52.1 | Low | 58.2 | Low | 157 Ų | 157 | 107 Ų | 107 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -71.9 | 87.4 | 162.6 | -84 | 164.9 | 0 | 0 | 0 | 108.4 | T249 P253 | T249-L251 PolarHBondContact O-N 3.35Å; L251-P253 VanDerWaalsContact O-CD 3.26Å; L251-P253 WeakPolarHBondContact O-CD 3.45Å | ||
| 252 | L | 54.4 | Low | 57.4 | Low | 136 Ų | 136 | 109.4 Ų | 109.4 | 71% | 0.712 | 63% | 0.628 | S | S | * | * | trans | -63.5 | 117.2 | 169 | -121.4 | 66.7 | 0 | 0 | 0 | 108.4 | I250 S254 | I250-L252 VanDerWaalsContact C-N 3.26Å; I250-L252 HydrophobicContact CB-CD1 4.39Å; I250-L252 HydrophobicContact CG2-CD1 3.43Å; I250-L252 VanDerWaalsContact CG2-CD1 3.43Å; I250-L252 PolarHBondContact O-N 3.03Å; L252-S254 PolarHBondContact O-N 3.01Å | ||
| 253 | P | 52.3 | Low | 56.7 | Low | 57 Ų | 57 | 106.8 Ų | 106.8 | 37% | 0.37 | 62% | 0.623 | S | S | . | * | trans | -62.8 | 131.2 | 162.6 | -12.8 | 28.7 | 0 | 0 | 0 | 107.2 | L251 N255 M262 | L251-P253 VanDerWaalsContact O-CD 3.26Å; L251-P253 WeakPolarHBondContact O-CD 3.45Å; P253-N255 PolarHBondContact O-N 3.34Å; P253-M262 HydrophobicContact CG-CG 3.83Å; P253-M262 HydrophobicContact CG-SD 4Å | ||
| 254 | S | 53.7 | Low | 56.5 | Low | 133 Ų | 133 | 104.2 Ų | 104.2 | 93% | 0.93 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -70.8 | 17.2 | -174.7 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | L252 | L252-S254 PolarHBondContact O-N 3.01Š|
| 255 | N | 56.5 | Low | 56.4 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 57% | 0.572 | 63% | 0.633 | S | S | * | * | trans | -145.8 | 106 | 175.1 | -168.6 | 23.9 | 0 | 0 | 0 | 110.6 | P253 G257 | P253-N255 PolarHBondContact O-N 3.34Å; N255-G257 PolarHBondContact O-N 3.43Å | ||
| 256 | P | 54.8 | Low | 56 | Low | 137 Ų | 137 | 103.7 Ų | 103.7 | 89% | 0.89 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 12.2 | -173.8 | 30.8 | -36.1 | 0 | 0 | 0 | 115 | ||
| 257 | G | 60 | Low | 56.1 | Low | 64 Ų | 64 | 102.3 Ų | 102.3 | 66% | 0.66 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -13.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N255 | N255-G257 PolarHBondContact O-N 3.43Š|
| 258 | D | 61.1 | Low | 57.2 | Low | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 62% | 0.617 | S | S | . | * | trans | -129.2 | 75.6 | -162.4 | -140.9 | -32.3 | 0 | 0 | 0 | 114.4 | T260 S261 | D258-T260 PolarHBondContact O-N 3.02Å; D258-T260 VanDerWaalsContact O-N 3.11Å; D258-T260 WeakPolarHBondContact OD1-CB 3.16Å; D258-T260 PolarHBondContact OD1-OG1 3.28Å; D258-S261 PolarHBondContact O-N 2.78Å; D258-S261 PolarHBondContact O-OG 3.39Å | ||
| 259 | V | 58.7 | Low | 57.6 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 62% | 0.624 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -52.7 | -30.4 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | S261 M262 V263 | V259-S261 VanDerWaalsContact C-N 3.25Å; V259-S261 PolarHBondContact O-N 2.92Å; V259-M262 PolarHBondContact O-N 3.18Å; V259-V263 HydrophobicContact CG1-CG2 4.46Å; V259-V263 WeakPolarHBondContact O-CG2 3.36Å; V259-V263 PolarHBondContact O-N 3.12Å; V259-V263 VanDerWaalsContact O-N 3.1Å |
| 260 | T | 56.8 | Low | 58.1 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 63% | 0.632 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -54 | -39.6 | 176 | -24 | 0 | 0 | 0 | 0 | 112.6 | D258 V263 A264 | D258-T260 PolarHBondContact O-N 3.02Å; D258-T260 VanDerWaalsContact O-N 3.11Å; D258-T260 WeakPolarHBondContact OD1-CB 3.16Å; D258-T260 PolarHBondContact OD1-OG1 3.28Å; T260-V263 PolarHBondContact O-N 2.88Å; T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 3.31Å |
| 261 | S | 60.1 | Low | 57.9 | Low | 55 Ų | 55 | 97 Ų | 97 | 39% | 0.385 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.8 | -41.9 | -179.1 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | D258 V259 A264 Q265 | D258-S261 PolarHBondContact O-N 2.78Å; D258-S261 PolarHBondContact O-OG 3.39Å; V259-S261 VanDerWaalsContact C-N 3.25Å; V259-S261 PolarHBondContact O-N 2.92Å; S261-A264 PolarHBondContact O-N 3.37Å; S261-Q265 WeakPolarHBondContact O-CB 3.33Å; S261-Q265 PolarHBondContact O-N 3.19Å |
| 262 | M | 57.7 | Low | 58.1 | Low | 109 Ų | 109 | 92.6 Ų | 92.6 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 173.6 | -85.7 | -174.4 | 65.4 | 0 | 0 | 111.9 | P253 V259 Q265 A266 | P253-M262 HydrophobicContact CG-CG 3.83Å; P253-M262 HydrophobicContact CG-SD 4Å; V259-M262 PolarHBondContact O-N 3.18Å; M262-Q265 PolarHBondContact O-N 3.47Å; M262-A266 WeakPolarHBondContact O-CB 3.27Å; M262-A266 PolarHBondContact O-N 3.2Å |
| 263 | V | 59.1 | Low | 57.7 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 177.3 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | V259 T260 Q265 A266 M267 | V259-V263 HydrophobicContact CG1-CG2 4.46Å; V259-V263 WeakPolarHBondContact O-CG2 3.36Å; V259-V263 PolarHBondContact O-N 3.12Å; V259-V263 VanDerWaalsContact O-N 3.1Å; T260-V263 PolarHBondContact O-N 2.88Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 3.19Å; V263-A266 PolarHBondContact O-N 3.43Å; V263-M267 HydrophobicContact CG1-CG 4.29Å; V263-M267 VanDerWaalsContact O-CB 3.3Å; V263-M267 WeakPolarHBondContact O-CB 3.29Å; V263-M267 VanDerWaalsContact O-CG 3.23Å; V263-M267 WeakPolarHBondContact O-CG 3.5Å; V263-M267 PolarHBondContact O-N 3.17Å |
| 264 | A | 60.1 | Low | 57.6 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.4 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T260 S261 G268 | T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 3.31Å; S261-A264 PolarHBondContact O-N 3.37Å; A264-G268 PolarHBondContact O-N 3.26Å |
| 265 | Q | 61.9 | Low | 57 | Low | 143 Ų | 143 | 96.3 Ų | 96.3 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.6 | -38.6 | -179.9 | -153.6 | 162.9 | 11.3 | 0 | 0 | 112 | S261 M262 V263 G268 V269 | S261-Q265 WeakPolarHBondContact O-CB 3.33Å; S261-Q265 PolarHBondContact O-N 3.19Å; M262-Q265 PolarHBondContact O-N 3.47Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 3.19Å; Q265-G268 PolarHBondContact O-N 3.36Å; Q265-V269 WeakPolarHBondContact O-CG2 3.21Å; Q265-V269 PolarHBondContact O-N 2.87Å |
| 266 | A | 56.6 | Low | 55.8 | Low | 62 Ų | 62 | 95.1 Ų | 95.1 | 51% | 0.512 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | M262 V263 G268 V269 Y270 | M262-A266 WeakPolarHBondContact O-CB 3.27Å; M262-A266 PolarHBondContact O-N 3.2Å; V263-A266 PolarHBondContact O-N 3.43Å; A266-G268 VanDerWaalsContact C-N 3.3Å; A266-G268 PolarHBondContact O-N 3.35Å; A266-V269 PolarHBondContact O-N 3.21Å; A266-Y270 PolarHBondContact O-N 2.98Å |
| 267 | M | 60.4 | Low | 54.9 | Low | 120 Ų | 120 | 93.9 Ų | 93.9 | 59% | 0.591 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.8 | -32 | 173 | -72.8 | -65 | -69.8 | 0 | 0 | 112.1 | V263 Y270 G271 | V263-M267 HydrophobicContact CG1-CG 4.29Å; V263-M267 VanDerWaalsContact O-CB 3.3Å; V263-M267 WeakPolarHBondContact O-CB 3.29Å; V263-M267 VanDerWaalsContact O-CG 3.23Å; V263-M267 WeakPolarHBondContact O-CG 3.5Å; V263-M267 PolarHBondContact O-N 3.17Å; M267-Y270 PolarHBondContact O-N 3.25Å; M267-G271 PolarHBondContact O-N 3.23Å |
| 268 | G | 66.2 | Low | 54.2 | Low | 44 Ų | 44 | 97.3 Ų | 97.3 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -41.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A264 Q265 A266 G271 A272 | A264-G268 PolarHBondContact O-N 3.26Å; Q265-G268 PolarHBondContact O-N 3.36Å; A266-G268 VanDerWaalsContact C-N 3.3Å; A266-G268 PolarHBondContact O-N 3.35Å; G268-G271 PolarHBondContact O-N 2.71Å; G268-A272 PolarHBondContact O-N 3.13Å |
| 269 | V | 62.8 | Low | 53 | Low | 88 Ų | 88 | 99.3 Ų | 99.3 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -41.7 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | Q265 A266 G271 A272 L273 | Q265-V269 WeakPolarHBondContact O-CG2 3.21Å; Q265-V269 PolarHBondContact O-N 2.87Å; A266-V269 PolarHBondContact O-N 3.21Å; V269-G271 VanDerWaalsContact C-N 3.3Å; V269-G271 PolarHBondContact O-N 3.41Å; V269-A272 PolarHBondContact O-N 3.4Å; V269-L273 HydrophobicContact CG1-CD1 3.95Å; V269-L273 HydrophobicContact CG1-CG 4.45Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.48Å |
| 270 | Y | 61 | Low | 51.6 | Low | 152 Ų | 152 | 97.4 Ų | 97.4 | 60% | 0.596 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.4 | -39.9 | 171.8 | -173.1 | -97.2 | 0 | 0 | 0 | 111.8 | A266 M267 L273 T274 | A266-Y270 PolarHBondContact O-N 2.98Å; M267-Y270 PolarHBondContact O-N 3.25Å; Y270-L273 PolarHBondContact O-N 3.07Å; Y270-T274 HydrophobicContact CD1-CG2 4.26Å; Y270-T274 HydrophobicContact CE1-CG2 3.9Å; Y270-T274 WeakPolarHBondContact O-CB 3.48Å; Y270-T274 WeakPolarHBondContact O-CG2 3.33Å; Y270-T274 PolarHBondContact O-N 3.05Å; Y270-T274 PolarHBondContact O-OG1 3.38Å |
| 271 | G | 50.6 | Low | 50.7 | Low | 32 Ų | 32 | 98.9 Ų | 98.9 | 33% | 0.33 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -33.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M267 G268 V269 T274 K275 | M267-G271 PolarHBondContact O-N 3.23Å; G268-G271 PolarHBondContact O-N 2.71Å; V269-G271 VanDerWaalsContact C-N 3.3Å; V269-G271 PolarHBondContact O-N 3.41Å; G271-T274 WeakPolarHBondContact CA-OG1 3.4Å; G271-T274 PolarHBondContact O-OG1 3.45Å; G271-K275 WeakPolarHBondContact O-CB 3.28Å; G271-K275 PolarHBondContact O-N 2.89Å |
| 272 | A | 55.3 | Low | 49.7 | Very low | 65 Ų | 65 | 101.9 Ų | 101.9 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.3 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G268 V269 K275 | G268-A272 PolarHBondContact O-N 3.13Å; V269-A272 PolarHBondContact O-N 3.4Å; A272-K275 CarbonylContact O-C 3.59Å; A272-K275 PolarHBondContact O-N 3.2Å; A272-K275 VanDerWaalsContact O-N 3.15Å |
| 273 | L | 45.3 | Very low | 48.3 | Very low | 137 Ų | 137 | 103.6 Ų | 103.6 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71 | -29.2 | 178.2 | -68.1 | 170.8 | 0 | 0 | 0 | 113 | V269 Y270 K275 | V269-L273 HydrophobicContact CG1-CD1 3.95Å; V269-L273 HydrophobicContact CG1-CG 4.45Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.48Å; Y270-L273 PolarHBondContact O-N 3.07Å; L273-K275 VanDerWaalsContact C-N 3.32Å |
| 274 | T | 50.1 | Low | 46.9 | Very low | 95 Ų | 95 | 104.4 Ų | 104.4 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.6 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | Y270 G271 | Y270-T274 HydrophobicContact CD1-CG2 4.26Å; Y270-T274 HydrophobicContact CE1-CG2 3.9Å; Y270-T274 WeakPolarHBondContact O-CB 3.48Å; Y270-T274 WeakPolarHBondContact O-CG2 3.33Å; Y270-T274 PolarHBondContact O-N 3.05Å; Y270-T274 PolarHBondContact O-OG1 3.38Å; G271-T274 WeakPolarHBondContact CA-OG1 3.4Å; G271-T274 PolarHBondContact O-OG1 3.45Å |
| 275 | K | 41.1 | Very low | 45.6 | Very low | 173 Ų | 173 | 109 Ų | 109 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | trans | -113.3 | 48.8 | 179.4 | -161 | -176 | 177.3 | -178.9 | 0 | 112.4 | G271 A272 L273 P277 | G271-K275 WeakPolarHBondContact O-CB 3.28Å; G271-K275 PolarHBondContact O-N 2.89Å; A272-K275 CarbonylContact O-C 3.59Å; A272-K275 PolarHBondContact O-N 3.2Å; A272-K275 VanDerWaalsContact O-N 3.15Å; L273-K275 VanDerWaalsContact C-N 3.32Å; K275-P277 WeakPolarHBondContact O-CD 3.5Å | ||
| 276 | A | 31.3 | Very low | 44 | Very low | 81 Ų | 81 | 107.4 Ų | 107.4 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -112.2 | 91.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 277 | P | 36.1 | Very low | 42.8 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | trans | -73.3 | 131.9 | 172 | -11.9 | 28.6 | 0 | 0 | 0 | 110.5 | K275 P279 | K275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-P279 WeakPolarHBondContact O-CD 3.35Å | ||
| 278 | V | 46.9 | Very low | 41.2 | Very low | 137 Ų | 137 | 108.3 Ų | 108.3 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -66.4 | 127.4 | 170.7 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 279 | P | 34.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -93 | 98.8 | 166 | 4.6 | 15.8 | 0 | 0 | 0 | 109.6 | P277 | P277-P279 WeakPolarHBondContact O-CD 3.35Š| ||
| 280 | G | 30.7 | Very low | 37.8 | Very low | 62 Ų | 62 | 113.2 Ų | 113.2 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -79.3 | 160.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 281 | T | 36.2 | Very low | 36.4 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -49 | 153.4 | 175.2 | -21.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 282 | P | 39.7 | Very low | 35.4 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | -147.2 | 168.6 | 104.5 | 36.5 | -19.9 | 0 | 0 | 0 | 116.5 | |||||
| 283 | D | 29.5 | Very low | 34.4 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -66.3 | 156.1 | 178.7 | -61.5 | -74.4 | 0 | 0 | 0 | 115.6 | ||||
| 284 | S | 29.5 | Very low | 33.7 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | 149.6 | 139.3 | 101.4 | 61.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 285 | L | 31.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 64.8 | 107.8 | 141.9 | -67.7 | 161.3 | 0 | 0 | 0 | 123.3 | ||||
| 286 | S | 30.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 178.8 | 109.8 | 121.6 | 37.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 287 | S | 29.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | 92.2 | 110.7 | 64 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 288 | G | 26.8 | Very low | 32.6 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 120.6 | 93 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 289 | S | 29.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | 174.3 | 142.5 | 114.1 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 290 | S | 29.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -98.5 | 176.9 | -172.3 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | R | 30.5 | Very low | 33.2 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | 84.1 | 135.4 | 169.5 | -62 | -172.1 | 178.4 | 132.6 | -0.7 | 115.6 | ||||
| 292 | D | 30.2 | Very low | 33.7 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | cis | -142 | -178.2 | -12.1 | -86.5 | -37.6 | 0 | 0 | 0 | 106.4 | ||||
| 293 | V | 33.8 | Very low | 34 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | cis | -148.6 | 161 | 29.4 | 179.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 294 | Q | 31.5 | Very low | 34.6 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -129.6 | 126.6 | 175.7 | -170 | 171 | 9.8 | 0 | 0 | 112.7 | ||||
| 295 | G | 29 | Very low | 35.4 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | trans | 87.7 | 108.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 296 | T | 31 | Very low | 36.3 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | trans | -155 | 155.2 | 130.9 | -2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 297 | D | 35.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 85% | 0.846 | S | S | * | * | trans | 86.5 | 79 | 173.1 | -63.9 | -2.1 | 0 | 0 | 0 | 119 | ||||
| 298 | A | 40.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | trans | -116 | 100.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 299 | S | 39.4 | Very low | 39.1 | Very low | 92 Ų | 92 | 158.7 Ų | 158.7 | 64% | 0.643 | 85% | 0.852 | S | S | * | * | trans | -163 | 46.5 | -171.8 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 300 | L | 41.6 | Very low | 39.7 | Very low | 174 Ų | 174 | 161.7 Ų | 161.7 | 91% | 0.911 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -139 | 38.2 | 175.2 | -76.2 | 179.5 | 0 | 0 | 0 | 113.8 | ||
| 301 | D | 42 | Very low | 40.3 | Very low | 174 Ų | 174 | 164.4 Ų | 164.4 | 93% | 0.93 | 88% | 0.878 | S | S | * | * | S | Bend | trans | -139.9 | 32.9 | 177.5 | -100.8 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 302 | E | 47.8 | Very low | 40.8 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 93% | 0.925 | 88% | 0.88 | S | S | * | * | trans | -136.6 | 40.5 | -179.9 | -150.1 | 173.4 | -165.7 | 0 | 0 | 114.1 | ||||
| 303 | E | 45 | Very low | 41.4 | Very low | 194 Ų | 194 | 162.6 Ų | 162.6 | 91% | 0.907 | 89% | 0.889 | S | S | * | * | S | Bend | trans | -136.4 | 41.1 | 175.8 | -149.4 | -179.1 | -161.5 | 0 | 0 | 114.4 | ||
| 304 | L | 43.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 163.7 Ų | 163.7 | 90% | 0.895 | 89% | 0.89 | S | S | * | * | S | Bend | trans | -133.6 | -0.7 | 179.1 | -114.4 | 158.8 | 0 | 0 | 0 | 116.8 | ||
| 305 | D | 45.7 | Very low | 42.4 | Very low | 157 Ų | 157 | 161.9 Ų | 161.9 | 84% | 0.84 | 89% | 0.889 | S | S | * | * | S | Bend | trans | -114.8 | 29 | -175.5 | -136.2 | 7.3 | 0 | 0 | 0 | 114.6 | ||
| 306 | R | 49.8 | Very low | 43.3 | Very low | 246 Ų | 246 | 168.1 Ų | 168.1 | 93% | 0.928 | 90% | 0.9 | S | S | * | * | S | Bend | trans | -124.5 | 32.9 | -179.6 | -137.9 | -179.5 | -146.5 | -120.4 | 5.6 | 115.8 | ||
| 307 | V | 50 | Low | 44.2 | Very low | 142 Ų | 142 | 170.1 Ų | 170.1 | 86% | 0.861 | 90% | 0.903 | S | S | * | * | S | Bend | trans | -127.8 | 11 | 170.1 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 308 | K | 47.6 | Very low | 44.9 | Very low | 195 Ų | 195 | 172.1 Ų | 172.1 | 85% | 0.848 | 91% | 0.913 | S | S | * | * | S | Bend | trans | -123 | 55 | 174.7 | -80.6 | -173.5 | 175.8 | 174.6 | 0 | 113.7 | ||
| 309 | M | 48 | Very low | 45.3 | Very low | 197 Ų | 197 | 177.3 Ų | 177.3 | 97% | 0.97 | 91% | 0.914 | S | S | * | * | trans | -166.7 | 75.1 | 150.2 | -88.1 | -126 | -179.4 | 0 | 0 | 110.3 | ||||
| 310 | S | 43.4 | Very low | 45.8 | Very low | 188 Ų | 188 | 185.1 Ų | 185.1 | 100% | 1.315 | 94% | 0.939 | S | S | * | * | trans | -161.5 | 0 | 151.6 | -174.6 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 310 of 310 residues in 165.1 ms
(Link to these results)