| 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 | 44.7 | Very low | 49.5 | Very low | 249 Ų | 249 | 155.8 Ų | 155.8 | 100% | 1.227 | 83% | 0.825 | S | S | * | * | 0 | 150.5 | 0 | -70.8 | 162 | 75.4 | 0 | 0 | 108.5 | |||||
| 2 | S | 39.8 | Very low | 49.5 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | 96.6 | 91.9 | -179.8 | -160.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | P | 48.7 | Very low | 49.7 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 121.6 | 149.9 | 33.8 | -23.1 | 0 | 0 | 0 | 109.7 | ||||
| 4 | T | 47.2 | Very low | 50.2 | Low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -125.4 | 69.5 | 164.8 | 48.9 | 0 | 0 | 0 | 0 | 110 | R6 | T4-R6 PolarHBondContact O-N 3.2Š| ||
| 5 | L | 49.6 | Very low | 50.5 | Low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -63.4 | 97.2 | 165.9 | -178.3 | 67.9 | 0 | 0 | 0 | 108.2 | M7 | L5-M7 VanDerWaalsContact C-N 3.35Å; L5-M7 PolarHBondContact O-N 3.38Å | ||
| 6 | R | 54 | Low | 51 | Low | 236 Ų | 236 | 146.3 Ų | 146.3 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -71 | 92.5 | 174.2 | -74.1 | -170.7 | 175 | -160.8 | -1.5 | 109 | T4 A8 | T4-R6 PolarHBondContact O-N 3.2Å; R6-A8 PolarHBondContact O-N 3.2Å | ||
| 7 | M | 50.6 | Low | 51.7 | Low | 159 Ų | 159 | 140.9 Ų | 140.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -68.1 | 103.2 | 172.4 | -167.5 | 154 | 68.7 | 0 | 0 | 108.7 | L5 L9 | L5-M7 VanDerWaalsContact C-N 3.35Å; L5-M7 PolarHBondContact O-N 3.38Å; M7-L9 PolarHBondContact O-N 3.44Å; M7-L9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | A | 53 | Low | 52.6 | Low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -71.2 | 103.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R6 L10 | R6-A8 PolarHBondContact O-N 3.2Å; A8-L10 PolarHBondContact O-N 3.23Å | ||
| 9 | L | 53.5 | Low | 54.4 | Low | 133 Ų | 133 | 135.1 Ų | 135.1 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -67.1 | 98.6 | 169.6 | -79.1 | 164.2 | 0 | 0 | 0 | 108.5 | M7 F11 | M7-L9 PolarHBondContact O-N 3.44Å; M7-L9 VanDerWaalsContact O-N 3.1Å; L9-F11 HydrophobicContact CB-CD2 4.02Å; L9-F11 HydrophobicContact CB-CE2 4.01Å; L9-F11 HydrophobicContact CD1-CE2 4.13Å; L9-F11 PolarHBondContact O-N 3.44Å | ||
| 10 | L | 51 | Low | 56.2 | Low | 172 Ų | 172 | 128.4 Ų | 128.4 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | -65.8 | 85.1 | 158.7 | -73.9 | 170.6 | 0 | 0 | 0 | 107.5 | A8 S12 | A8-L10 PolarHBondContact O-N 3.23Å; L10-S12 PolarHBondContact O-N 3.32Å | ||
| 11 | F | 52.3 | Low | 58.1 | Low | 167 Ų | 167 | 124.7 Ų | 124.7 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | trans | -59.4 | 107.3 | 161.2 | -87.3 | -86.9 | 0 | 0 | 0 | 106.9 | L9 M13 | L9-F11 HydrophobicContact CB-CD2 4.02Å; L9-F11 HydrophobicContact CB-CE2 4.01Å; L9-F11 HydrophobicContact CD1-CE2 4.13Å; L9-F11 PolarHBondContact O-N 3.44Å; F11-M13 PolarHBondContact O-N 3.41Å | ||
| 12 | S | 49.5 | Very low | 60.5 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | trans | -57.1 | 106.8 | 167.6 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | L10 M14 | L10-S12 PolarHBondContact O-N 3.32Å; S12-M14 PolarHBondContact O-N 3.42Å | ||
| 13 | M | 52.8 | Low | 63.3 | Low | 171 Ų | 171 | 110.9 Ų | 110.9 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | trans | -69.2 | 80.1 | 166.3 | -66.1 | -71.6 | -75.9 | 0 | 0 | 106.6 | F11 G15 | F11-M13 PolarHBondContact O-N 3.41Å; M13-G15 PolarHBondContact O-N 3.47Å | ||
| 14 | M | 55.6 | Low | 65.6 | Low | 173 Ų | 173 | 105.9 Ų | 105.9 | 85% | 0.852 | 59% | 0.589 | S | S | * | * | trans | -61.4 | 84.1 | 150.4 | -80.6 | 178.2 | 65.8 | 0 | 0 | 105.5 | S12 C16 | S12-M14 PolarHBondContact O-N 3.42Å; M14-C16 PolarHBondContact O-N 2.97Å | ||
| 15 | G | 54.9 | Low | 68 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | trans | -53.7 | 134.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | M13 G17 | M13-G15 PolarHBondContact O-N 3.47Å; G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.35Å | ||
| 16 | C | 59.4 | Low | 70.2 | Confident | 124 Ų | 124 | 101.5 Ų | 101.5 | 84% | 0.838 | 56% | 0.563 | S | S | * | * | trans | -56.9 | 102.5 | 170.2 | -64.9 | 0 | 0 | 0 | 0 | 107.2 | M14 H18 | M14-C16 PolarHBondContact O-N 2.97Å; C16-H18 PolarHBondContact O-N 2.88Å; C16-H18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | G | 62.1 | Low | 72.2 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | trans | -65 | 116.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | G15 L19 | G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.35Å; G17-L19 WeakPolarHBondContact O-CB 3.43Å; G17-L19 PolarHBondContact O-N 3.03Å | ||
| 18 | H | 68.8 | Low | 74.4 | Confident | 93 Ų | 93 | 96.2 Ų | 96.2 | 43% | 0.431 | 54% | 0.543 | S | S | . | . | trans | -57.4 | 102.5 | 170.2 | -77.3 | 108.8 | 0 | 0 | 0 | 108.6 | C16 D123 N125 | C16-H18 PolarHBondContact O-N 2.88Å; C16-H18 VanDerWaalsContact O-N 3.15Å; H18-D123 WeakPolarHBondContact CA-OD1 3.28Å; H18-D123 WeakPolarHBondContact CB-OD1 3.26Å; H18-D123 IonicContact CD2-OD1 3.28Å; H18-D123 PolarHBondContact CD2-OD1 3.06Å; H18-D123 VanDerWaalsContact CD2-OD1 3.28Å; H18-D123 IonicContact CG-OD1 3.52Å; H18-N125 WeakPolarHBondContact O-CB 3.43Å | ||
| 19 | L | 85.8 | Confident | 76.6 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.9 | -165.1 | -165.5 | 85.6 | 0 | 0 | 0 | 111.4 | G17 T46 D123 N125 G126 | G17-L19 WeakPolarHBondContact O-CB 3.43Å; G17-L19 PolarHBondContact O-N 3.03Å; L19-T46 HydrophobicContact CB-CG2 4.38Å; L19-T46 PolarHBondContact N-OG1 3.15Å; L19-T46 PolarHBondContact O-N 3.43Å; L19-D123 PolarHBondContact N-OD1 2.85Å; L19-N125 WeakPolarHBondContact CA-O 3.45Å; L19-G126 VanDerWaalsContact CD1-CA 3.41Å |
| 20 | I | 91.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 91.1 Ų | 91.1 | 0% | 0 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142 | 166.2 | -167.7 | 157.6 | 0 | 0 | 0 | 110.7 | F43 V44 V118 N120 D123 N125 K127 T128 | I20-F43 HydrophobicContact CD1-CD2 4.32Å; I20-F43 HydrophobicContact CG1-CB 4.48Å; I20-V44 CarbonylContact C-O 3.49Å; I20-V44 WeakPolarHBondContact CA-O 3.22Å; I20-V118 HydrophobicContact CD1-CB 4.14Å; I20-V118 HydrophobicContact CD1-CG1 3.81Å; I20-N120 HydrophobicContact CD1-CB 4.08Å; I20-D123 HydrophobicContact CB-CB 4.09Å; I20-D123 WeakPolarHBondContact CG2-O 3.34Å; I20-N125 PolarHBondContact N-O 2.75Å; I20-K127 PolarHBondContact O-N 2.96Å; I20-T128 HydrophobicContact CG2-CG2 3.65Å |
| 21 | T | 94.8 | Very high | 80.9 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 32% | 0.319 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 106.5 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | F43 V44 K127 | T21-F43 WeakPolarHBondContact O-CA 3.33Å; T21-V44 PolarHBondContact N-O 2.93Å; T21-V44 PolarHBondContact O-N 3.48Å; T21-K127 CarbonylContact C-O 3.56Å; T21-K127 WeakPolarHBondContact CA-O 3.28Å |
| 22 | V | 96.8 | Very high | 83 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.2 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | C41 T42 F43 V118 K127 T128 A130 | V22-C41 WeakPolarHBondContact CG1-SG 3.49Å; V22-T42 CarbonylContact C-O 3.59Å; V22-T42 WeakPolarHBondContact CA-O 3.37Å; V22-F43 HydrophobicContact CG2-CB 4.15Å; V22-V118 HydrophobicContact CG2-CB 3.72Å; V22-V118 HydrophobicContact CG2-CG2 3.81Å; V22-K127 PolarHBondContact N-O 2.74Å; V22-K127 PolarHBondContact O-NZ 2.94Å; V22-T128 VanDerWaalsContact CG2-O 3.26Å; V22-T128 WeakPolarHBondContact CG2-O 3.47Å; V22-A130 HydrophobicContact CG1-CB 3.87Å |
| 23 | T | 97.5 | Very high | 85.3 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130 | -175.2 | -57.3 | 0 | 0 | 0 | 0 | 110 | T42 | T23-T42 PolarHBondContact N-O 3.44Å; T23-T42 PolarHBondContact O-N 3.49Å |
| 24 | V | 97.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | trans | -116.9 | 123 | 166.7 | -60.7 | 0 | 0 | 0 | 0 | 106.3 | Q40 C41 A130 I132 | V24-Q40 WeakPolarHBondContact CG1-O 3.37Å; V24-C41 HydrophobicContact CG1-CB 4.36Å; V24-A130 HydrophobicContact CB-CB 4.34Å; V24-A130 HydrophobicContact CG1-CB 3.62Å; V24-A130 HydrophobicContact CG2-CB 3.92Å; V24-I132 HydrophobicContact CB-CD1 4.1Å; V24-I132 HydrophobicContact CB-CG1 3.85Å; V24-I132 HydrophobicContact CG1-CD1 3.87Å; V24-I132 HydrophobicContact CG1-CG1 3.77Å; V24-I132 HydrophobicContact CG2-CG1 4.1Å | ||
| 25 | P | 96.4 | Very high | 89.4 | Confident | 81 Ų | 81 | 66 Ų | 66 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -73 | -36 | -177.7 | 26.9 | -31.4 | 0 | 0 | 0 | 111.4 | Q40 | P25-Q40 HydrophobicContact CG-CB 3.88Š|
| 26 | E | 96.1 | Very high | 91.5 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | trans | -109.6 | 119.4 | -179.4 | -66.2 | -178 | -169.6 | 0 | 0 | 110.3 | V29 | E26-V29 HydrophobicContact CB-CG2 4.25Š| ||
| 27 | K | 96.2 | Very high | 93.3 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -80.9 | -18.5 | 175 | -68.7 | -172.3 | 178.7 | -176.4 | 0 | 113.3 | I133 | K27-I133 PolarHBondContact O-N 3.09Š|
| 28 | F | 97.6 | Very high | 95 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.2 | -177.9 | -60.3 | -82 | 0 | 0 | 0 | 108.4 | I133 | F28-I133 CarbonylContact C-O 3.59Å; F28-I133 VanDerWaalsContact CA-O 3.29Å; F28-I133 WeakPolarHBondContact CA-O 3.47Å; F28-I133 HydrophobicContact CD1-CB 3.74Å; F28-I133 HydrophobicContact CD1-CG1 4.25Å; F28-I133 HydrophobicContact CD1-CG2 4.09Å; F28-I133 HydrophobicContact CE1-CB 4.03Å; F28-I133 HydrophobicContact CE1-CG1 4.06Å; F28-I133 HydrophobicContact CE1-CG2 4.31Å |
| 29 | V | 98.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.4 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | E26 V31 I132 I133 V134 N135 | E26-V29 HydrophobicContact CB-CG2 4.25Å; V29-V31 HydrophobicContact CG1-CG2 3.73Å; V29-I132 HydrophobicContact CB-CG2 4.27Å; V29-I132 HydrophobicContact CG2-CG2 3.6Å; V29-I133 PolarHBondContact N-O 2.93Å; V29-V134 CarbonylContact O-C 3.5Å; V29-V134 WeakPolarHBondContact O-CA 3.47Å; V29-N135 PolarHBondContact O-N 3.04Å |
| 30 | N | 97.3 | Very high | 97 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.4 | 178.3 | -66 | -15.5 | 0 | 0 | 0 | 108.7 | N135 L137 | N30-N135 WeakPolarHBondContact CA-O 3.31Å; N30-N135 WeakPolarHBondContact OD1-CB 3.32Å; N30-N135 PolarHBondContact OD1-ND2 3.15Å; N30-L137 HydrophobicContact CB-CD1 4.09Å; N30-L137 HydrophobicContact CB-CG 4.35Å |
| 31 | V | 97.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.2 | -173.9 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | V29 E35 A37 M106 N135 I136 L137 | V29-V31 HydrophobicContact CG1-CG2 3.73Å; V31-E35 HydrophobicContact CG1-CB 3.77Å; V31-A37 HydrophobicContact CG2-CB 3.86Å; V31-M106 HydrophobicContact CG1-CB 4.26Å; V31-M106 HydrophobicContact CG1-CG 4.12Å; V31-N135 PolarHBondContact N-O 3.13Å; V31-I136 HydrophobicContact CB-CD1 4.17Å; V31-I136 CarbonylContact O-C 3.48Å; V31-I136 WeakPolarHBondContact O-CA 3.42Å; V31-L137 PolarHBondContact O-N 2.89Å |
| 32 | T | 97.7 | Very high | 97.4 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 143.1 | 175.8 | -37.7 | 0 | 0 | 0 | 0 | 110 | G34 E35 L137 V218 | T32-G34 PolarHBondContact O-N 2.96Å; T32-E35 VanDerWaalsContact CB-CD 3.48Å; T32-E35 WeakPolarHBondContact CB-OE2 3.45Å; T32-E35 PolarHBondContact N-OE2 2.84Å; T32-E35 WeakPolarHBondContact O-CB 3.49Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 PolarHBondContact OG1-OE2 3.42Å; T32-L137 CarbonylContact C-O 3.58Å; T32-L137 WeakPolarHBondContact CA-O 3.44Å; T32-V218 HydrophobicContact CG2-CG1 3.83Å |
| 33 | N | 97.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.4 | 176.4 | -172.8 | 5 | 0 | 0 | 0 | 110.5 | M106 I136 L137 E138 | N33-M106 PolarHBondContact OD1-O 2.99Å; N33-I136 HydrophobicContact CB-CG2 3.92Å; N33-L137 PolarHBondContact N-O 3.44Å; N33-E138 HydrophobicContact CB-CB 4.11Å |
| 34 | G | 96.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -14.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T32 M106 | T32-G34 PolarHBondContact O-N 2.96Å; G34-M106 PolarHBondContact N-O 3.38Å |
| 35 | E | 97.8 | Very high | 96.8 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -79 | -179.1 | 176.1 | -64.8 | -176 | 138.8 | 0 | 0 | 112.3 | V31 T32 N105 M106 | V31-E35 HydrophobicContact CG1-CB 3.77Å; T32-E35 VanDerWaalsContact CB-CD 3.48Å; T32-E35 WeakPolarHBondContact CB-OE2 3.45Å; T32-E35 PolarHBondContact N-OE2 2.84Å; T32-E35 WeakPolarHBondContact O-CB 3.49Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 PolarHBondContact OG1-OE2 3.42Å; E35-N105 PolarHBondContact O-N 2.83Å; E35-M106 WeakPolarHBondContact O-CB 3.19Å; E35-M106 WeakPolarHBondContact O-CG 3.41Å; E35-M106 PolarHBondContact O-N 2.84Å |
| 36 | S | 98.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | trans | -107 | 135.3 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | I103 S104 | S36-I103 CarbonylContact C-O 3.47Å; S36-I103 VanDerWaalsContact CA-O 3.3Å; S36-I103 WeakPolarHBondContact CA-O 3.21Å; S36-S104 WeakPolarHBondContact OG-CA 3.28Å; S36-S104 WeakPolarHBondContact OG-CB 3.35Å | ||
| 37 | A | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V31 L39 T102 I103 M106 | V31-A37 HydrophobicContact CG2-CB 3.86Å; A37-L39 HydrophobicContact CB-CD2 4.11Å; A37-T102 CarbonylContact O-C 3.48Å; A37-T102 VanDerWaalsContact O-CA 3.27Å; A37-T102 WeakPolarHBondContact O-CA 3.3Å; A37-I103 PolarHBondContact N-O 3Å; A37-I103 PolarHBondContact O-N 2.91Å; A37-M106 HydrophobicContact CB-CE 3.93Å; A37-M106 HydrophobicContact CB-CG 3.82Å; A37-M106 HydrophobicContact CB-SD 3.76Å |
| 38 | L | 97.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.4 | 162.8 | 172.6 | 62.1 | 0 | 0 | 0 | 108.7 | Q40 T102 | L38-Q40 HydrophobicContact CD1-CG 4.5Å; L38-Q40 HydrophobicContact CD2-CG 3.8Å; L38-Q40 HydrophobicContact CG-CG 3.75Å; L38-Q40 PolarHBondContact O-N 2.84Å; L38-T102 WeakPolarHBondContact CD1-OG1 3.27Å |
| 39 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 89.4 | 176.7 | -55 | -172.1 | 0 | 0 | 0 | 108.6 | A37 C41 W57 S100 I101 I103 Y114 I132 V134 | A37-L39 HydrophobicContact CB-CD2 4.11Å; L39-C41 PolarHBondContact O-N 3.21Å; L39-W57 HydrophobicContact CB-CH2 3.5Å; L39-W57 HydrophobicContact CB-CZ2 4.17Å; L39-W57 HydrophobicContact CB-CZ3 3.9Å; L39-W57 HydrophobicContact CD1-CZ3 4.11Å; L39-W57 WeakPolarHBondContact O-CH2 3.35Å; L39-W57 WeakPolarHBondContact O-CZ2 3.14Å; L39-S100 VanDerWaalsContact O-CA 3.3Å; L39-S100 WeakPolarHBondContact O-CA 3.23Å; L39-S100 WeakPolarHBondContact O-CB 3.33Å; L39-I101 HydrophobicContact CB-CG1 4.02Å; L39-I101 HydrophobicContact CD1-CD1 4.2Å; L39-I101 HydrophobicContact CD1-CG1 4.22Å; L39-I101 HydrophobicContact CG-CG1 4.43Å; L39-I101 PolarHBondContact N-O 3.28Å; L39-I101 PolarHBondContact O-N 3.36Å; L39-I103 HydrophobicContact CD1-CD1 3.92Å; L39-Y114 HydrophobicContact CD1-CD1 3.65Å; L39-Y114 HydrophobicContact CD1-CD2 4.17Å; L39-Y114 HydrophobicContact CD1-CE1 4.19Å; L39-Y114 HydrophobicContact CD1-CG 3.65Å; L39-I132 HydrophobicContact CB-CD1 4.1Å; L39-V134 HydrophobicContact CD2-CG2 3.58Å |
| 40 | Q | 97.9 | Very high | 94 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | trans | -68.8 | 117.3 | -175.1 | -65.8 | -168.6 | 29.5 | 0 | 0 | 111.8 | V24 P25 L38 S100 | V24-Q40 WeakPolarHBondContact CG1-O 3.37Å; P25-Q40 HydrophobicContact CG-CB 3.88Å; L38-Q40 HydrophobicContact CD1-CG 4.5Å; L38-Q40 HydrophobicContact CD2-CG 3.8Å; L38-Q40 HydrophobicContact CG-CG 3.75Å; L38-Q40 PolarHBondContact O-N 2.84Å; Q40-S100 WeakPolarHBondContact CA-OG 3.36Å | ||
| 41 | C | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -135.2 | 122.5 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | V22 V24 L39 W57 N98 A99 S100 C116 | V22-C41 WeakPolarHBondContact CG1-SG 3.49Å; V24-C41 HydrophobicContact CG1-CB 4.36Å; L39-C41 PolarHBondContact O-N 3.21Å; C41-W57 HydrophobicContact CB-CH2 3.87Å; C41-W57 HydrophobicContact CB-CZ2 3.43Å; C41-W57 VanDerWaalsContact CB-CZ2 3.43Å; C41-N98 PolarHBondContact O-OD1 3.46Å; C41-A99 HydrophobicContact CB-CB 4.34Å; C41-A99 CarbonylContact O-C 3.57Å; C41-A99 PolarHBondContact O-N 2.8Å; C41-S100 PolarHBondContact N-OG 2.93Å; C41-S100 PolarHBondContact O-N 3.1Å; C41-S100 VanDerWaalsContact O-N 3.13Å; C41-S100 PolarHBondContact O-OG 3.41Å; C41-S100 VanDerWaalsContact O-OG 3.12Å; C41-C116 HydrophobicContact CB-CB 3.67Å; C41-C116 WeakPolarHBondContact CB-SG 3.47Å; C41-C116 WeakPolarHBondContact SG-CB 3.28Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.37Å | ||
| 42 | T | 97.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157.1 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | V22 T23 S97 | V22-T42 CarbonylContact C-O 3.59Å; V22-T42 WeakPolarHBondContact CA-O 3.37Å; T23-T42 PolarHBondContact N-O 3.44Å; T23-T42 PolarHBondContact O-N 3.49Å; T42-S97 CarbonylContact C-O 3.56Å; T42-S97 VanDerWaalsContact CA-O 3.22Å; T42-S97 WeakPolarHBondContact CA-O 3.46Å; T42-S97 VanDerWaalsContact CB-O 3.32Å; T42-S97 WeakPolarHBondContact CB-O 3.16Å |
| 43 | F | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 153 | 177.5 | 64.7 | -90 | 0 | 0 | 0 | 111.1 | I20 T21 V22 T45 I53 A95 T96 S97 A99 V118 | I20-F43 HydrophobicContact CD1-CD2 4.32Å; I20-F43 HydrophobicContact CG1-CB 4.48Å; T21-F43 WeakPolarHBondContact O-CA 3.33Å; V22-F43 HydrophobicContact CG2-CB 4.15Å; F43-T45 HydrophobicContact CD2-CG2 4.14Å; F43-T45 HydrophobicContact CE2-CG2 4.02Å; F43-I53 HydrophobicContact CD1-CD1 4.48Å; F43-I53 HydrophobicContact CD2-CD1 4.13Å; F43-I53 HydrophobicContact CE1-CD1 3.74Å; F43-I53 HydrophobicContact CE2-CD1 3.34Å; F43-I53 HydrophobicContact CZ-CD1 3.1Å; F43-A95 HydrophobicContact CE1-CB 4.36Å; F43-A95 HydrophobicContact CZ-CB 4.34Å; F43-T96 WeakPolarHBondContact CE2-O 3.11Å; F43-T96 VanDerWaalsContact CZ-C 3.49Å; F43-S97 VanDerWaalsContact CE1-C 3.47Å; F43-S97 PolarHBondContact N-O 3.27Å; F43-A99 HydrophobicContact CD1-CB 4.06Å; F43-A99 HydrophobicContact CE1-CB 4.27Å; F43-V118 HydrophobicContact CB-CB 4.49Å; F43-V118 HydrophobicContact CB-CG1 4.4Å; F43-V118 HydrophobicContact CB-CG2 4.47Å; F43-V118 HydrophobicContact CD1-CG1 3.91Å; F43-V118 HydrophobicContact CD1-CG2 4.17Å; F43-V118 HydrophobicContact CD2-CG1 4.33Å; F43-V118 HydrophobicContact CE1-CG1 4.29Å; F43-V118 HydrophobicContact CG-CG1 3.94Å |
| 44 | V | 93.4 | Very high | 92.2 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.3 | 169.2 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | I20 T21 | I20-V44 CarbonylContact C-O 3.49Å; I20-V44 WeakPolarHBondContact CA-O 3.22Å; T21-V44 PolarHBondContact N-O 2.93Å; T21-V44 PolarHBondContact O-N 3.48Å |
| 45 | T | 91.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.6 | -177.7 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | F43 V47 T50 N120 D123 | F43-T45 HydrophobicContact CD2-CG2 4.14Å; F43-T45 HydrophobicContact CE2-CG2 4.02Å; T45-V47 PolarHBondContact OG1-N 3.29Å; T45-T50 HydrophobicContact CG2-CG2 4.3Å; T45-N120 PolarHBondContact OG1-ND2 3.2Å; T45-D123 PolarHBondContact OG1-OD2 2.82Å |
| 46 | T | 88.1 | Confident | 92.1 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -77.4 | -23.9 | 173.6 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | L19 Q48 D123 | L19-T46 HydrophobicContact CB-CG2 4.38Å; L19-T46 PolarHBondContact N-OG1 3.15Å; L19-T46 PolarHBondContact O-N 3.43Å; T46-Q48 PolarHBondContact O-N 2.91Å; T46-D123 WeakPolarHBondContact CA-OD2 3.44Å; T46-D123 PolarHBondContact N-OD2 2.88Å; T46-D123 VanDerWaalsContact OG1-CG 3.22Å; T46-D123 PolarHBondContact OG1-OD1 2.86Å; T46-D123 PolarHBondContact OG1-OD2 2.93Å |
| 47 | V | 86.7 | Confident | 92.1 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | trans | -75.5 | 119 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | T45 N49 N120 P122 D123 | T45-V47 PolarHBondContact OG1-N 3.29Å; V47-N49 VanDerWaalsContact C-N 3.28Å; V47-N49 HydrophobicContact CG1-CB 4.4Å; V47-N49 WeakPolarHBondContact CG1-O 3.44Å; V47-N49 PolarHBondContact O-N 3.19Å; V47-N120 PolarHBondContact O-ND2 2.82Å; V47-P122 HydrophobicContact CG2-CG 4.07Å; V47-D123 HydrophobicContact CG2-CB 4.34Å; V47-D123 VanDerWaalsContact CG2-CG 3.46Å; V47-D123 VanDerWaalsContact CG2-OD1 3.24Å; V47-D123 WeakPolarHBondContact CG2-OD1 3.11Å; V47-D123 PolarHBondContact N-OD2 2.58Å | ||
| 48 | Q | 81.8 | Confident | 92.1 | Very high | 185 Ų | 185 | 47.9 Ų | 47.9 | 86% | 0.864 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -68.4 | -22.1 | -178.7 | -64.1 | -65.2 | -56.1 | 0 | 0 | 114.3 | T46 | T46-Q48 PolarHBondContact O-N 2.91Š|
| 49 | N | 84.9 | Confident | 92.1 | Very high | 94 Ų | 94 | 44.2 Ų | 44.2 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | trans | -96.3 | 115 | -179.1 | -178 | 4.2 | 0 | 0 | 0 | 110.1 | V47 S51 N120 | V47-N49 VanDerWaalsContact C-N 3.28Å; V47-N49 HydrophobicContact CG1-CB 4.4Å; V47-N49 WeakPolarHBondContact CG1-O 3.44Å; V47-N49 PolarHBondContact O-N 3.19Å; N49-S51 VanDerWaalsContact OD1-CB 3.31Å; N49-S51 WeakPolarHBondContact OD1-CB 3.3Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 PolarHBondContact OD1-OG 3.49Å; N49-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-OD1 3.08Å | ||
| 50 | T | 84 | Confident | 92.1 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | trans | -106 | 11 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | T45 N52 I53 A95 | T45-T50 HydrophobicContact CG2-CG2 4.3Å; T50-N52 PolarHBondContact O-N 2.83Å; T50-N52 VanDerWaalsContact O-N 3.11Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 VanDerWaalsContact O-CG2 3.22Å; T50-I53 WeakPolarHBondContact O-CG2 3.35Å; T50-I53 PolarHBondContact O-N 2.85Å; T50-I53 VanDerWaalsContact O-N 3.1Å; T50-A95 VanDerWaalsContact CB-O 3.28Å; T50-A95 WeakPolarHBondContact CB-O 3.41Å; T50-A95 PolarHBondContact OG1-O 3.07Å | ||
| 51 | S | 82.3 | Confident | 92 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19 | -177 | -57.4 | 0 | 0 | 0 | 0 | 115 | N49 S75 Y93 | N49-S51 VanDerWaalsContact OD1-CB 3.31Å; N49-S51 WeakPolarHBondContact OD1-CB 3.3Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 PolarHBondContact OD1-OG 3.49Å; S51-S75 WeakPolarHBondContact O-CA 3.3Å; S51-S75 PolarHBondContact O-OG 3.01Å; S51-Y93 PolarHBondContact O-OH 2.92Å |
| 52 | N | 84.8 | Confident | 91.6 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 27.1 | 176.8 | -64.8 | -37.9 | 0 | 0 | 0 | 111.8 | T50 S75 | T50-N52 PolarHBondContact O-N 2.83Å; T50-N52 VanDerWaalsContact O-N 3.11Å; N52-S75 PolarHBondContact OD1-OG 2.96Å |
| 53 | I | 90.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | -62 | 140.5 | 173.7 | -163.1 | 169.9 | 0 | 0 | 0 | 110.1 | F43 T50 A95 V118 H119 N120 | F43-I53 HydrophobicContact CD1-CD1 4.48Å; F43-I53 HydrophobicContact CD2-CD1 4.13Å; F43-I53 HydrophobicContact CE1-CD1 3.74Å; F43-I53 HydrophobicContact CE2-CD1 3.34Å; F43-I53 HydrophobicContact CZ-CD1 3.1Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 VanDerWaalsContact O-CG2 3.22Å; T50-I53 WeakPolarHBondContact O-CG2 3.35Å; T50-I53 PolarHBondContact O-N 2.85Å; T50-I53 VanDerWaalsContact O-N 3.1Å; I53-A95 HydrophobicContact CG2-CB 4.2Å; I53-V118 HydrophobicContact CD1-CG1 3.66Å; I53-V118 HydrophobicContact CG1-CG1 3.85Å; I53-H119 WeakPolarHBondContact CG1-O 3.27Å; I53-N120 HydrophobicContact CG1-CB 4.21Å | ||
| 54 | I | 93.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.2 | 173.5 | -56.4 | 175 | 0 | 0 | 0 | 107.4 | Y72 S73 Q74 V118 H119 F121 | I54-Y72 HydrophobicContact CG2-CD2 4.37Å; I54-Y72 HydrophobicContact CG2-CE2 3.57Å; I54-S73 WeakPolarHBondContact CA-O 3.17Å; I54-Q74 HydrophobicContact CG1-CB 4.4Å; I54-Q74 HydrophobicContact CG1-CG 4.11Å; I54-V118 WeakPolarHBondContact O-CA 3.32Å; I54-H119 HydrophobicContact CB-CB 4.37Å; I54-H119 PolarHBondContact N-O 3.28Å; I54-H119 PolarHBondContact O-N 2.85Å; I54-F121 HydrophobicContact CD1-CE2 4.02Å |
| 55 | I | 95.7 | Very high | 91 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.3 | 172.7 | -64.2 | 168.7 | 0 | 0 | 0 | 107.9 | Y71 Y72 S73 P91 A95 A99 V118 | I55-Y71 HydrophobicContact CB-CE1 4.24Å; I55-Y71 HydrophobicContact CG2-CD1 4.25Å; I55-Y71 HydrophobicContact CG2-CE1 3.9Å; I55-Y72 CarbonylContact O-C 3.58Å; I55-Y72 WeakPolarHBondContact O-CA 3.37Å; I55-S73 PolarHBondContact N-O 3.08Å; I55-S73 PolarHBondContact O-N 3.41Å; I55-P91 HydrophobicContact CD1-CG 4.47Å; I55-A95 HydrophobicContact CD1-CB 3.56Å; I55-A99 HydrophobicContact CD1-CB 3.84Å; I55-A99 HydrophobicContact CG1-CB 4.09Å; I55-A99 HydrophobicContact CG2-CB 3.87Å; I55-V118 HydrophobicContact CG1-CG1 4.22Å; I55-V118 HydrophobicContact CG1-CG2 4.44Å |
| 56 | Q | 96.8 | Very high | 91.1 | Very high | 54 Ų | 54 | 62 Ų | 62 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.1 | 177.2 | 175.8 | 165.5 | -88.9 | 0 | 0 | 109.6 | Y71 Y72 E117 | Q56-Y71 WeakPolarHBondContact CA-O 3.47Å; Q56-Y72 HydrophobicContact CB-CD2 4.33Å; Q56-E117 HydrophobicContact CB-CB 4.29Å; Q56-E117 PolarHBondContact N-O 3.47Å; Q56-E117 PolarHBondContact NE2-OE2 2.03Å; Q56-E117 PolarHBondContact O-N 3.5Å |
| 57 | W | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.9 | 164.1 | -75.6 | 85 | 0 | 0 | 0 | 109.6 | L39 C41 V70 Y71 A99 I101 T115 C116 I132 | L39-W57 HydrophobicContact CB-CH2 3.5Å; L39-W57 HydrophobicContact CB-CZ2 4.17Å; L39-W57 HydrophobicContact CB-CZ3 3.9Å; L39-W57 HydrophobicContact CD1-CZ3 4.11Å; L39-W57 WeakPolarHBondContact O-CH2 3.35Å; L39-W57 WeakPolarHBondContact O-CZ2 3.14Å; C41-W57 HydrophobicContact CB-CH2 3.87Å; C41-W57 HydrophobicContact CB-CZ2 3.43Å; C41-W57 VanDerWaalsContact CB-CZ2 3.43Å; W57-V70 HydrophobicContact CB-CB 4Å; W57-V70 HydrophobicContact CB-CG1 4.43Å; W57-V70 WeakPolarHBondContact O-CB 3.45Å; W57-V70 PolarHBondContact O-N 3.44Å; W57-Y71 PolarHBondContact N-O 3.05Å; W57-Y71 PolarHBondContact O-N 3.3Å; W57-A99 PolarHBondContact NE1-O 2.95Å; W57-I101 HydrophobicContact CB-CD1 4.09Å; W57-I101 HydrophobicContact CD2-CD1 3.63Å; W57-I101 HydrophobicContact CD2-CG1 3.95Å; W57-I101 HydrophobicContact CE3-CD1 4.09Å; W57-I101 HydrophobicContact CE3-CG1 4.46Å; W57-I101 HydrophobicContact CG-CD1 3.65Å; W57-I101 HydrophobicContact CG-CG1 4.27Å; W57-I101 HydrophobicContact CH2-CG1 4.45Å; W57-I101 HydrophobicContact CZ2-CG1 3.95Å; W57-T115 WeakPolarHBondContact CA-O 3.32Å; W57-C116 HydrophobicContact CD2-CB 3.95Å; W57-C116 HydrophobicContact CE3-CB 3.96Å; W57-C116 HydrophobicContact CH2-CB 3.67Å; W57-C116 HydrophobicContact CZ2-CB 3.63Å; W57-C116 HydrophobicContact CZ3-CB 3.82Å; W57-I132 HydrophobicContact CH2-CD1 3.89Å; W57-I132 HydrophobicContact CZ3-CD1 4.22Å |
| 58 | S | 98.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.7 | 172.9 | 61.8 | 0 | 0 | 0 | 0 | 111 | Q68 Y114 T115 | S58-Q68 CarbonylContact C-O 3.37Å; S58-Q68 VanDerWaalsContact CA-O 3.25Å; S58-Q68 WeakPolarHBondContact CA-O 3.45Å; S58-Y114 CarbonylContact O-C 3.54Å; S58-Y114 VanDerWaalsContact O-CA 3.3Å; S58-Y114 WeakPolarHBondContact O-CA 3.31Å; S58-T115 PolarHBondContact N-O 3.33Å; S58-T115 PolarHBondContact O-N 3.44Å |
| 59 | F | 98.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.1 | -175.4 | 170.2 | -116.3 | 0 | 0 | 0 | 111.1 | A61 Q68 V70 Y84 D110 A113 Y114 | F59-A61 HydrophobicContact CE1-CB 3.72Å; F59-A61 VanDerWaalsContact CZ-CA 3.46Å; F59-A61 HydrophobicContact CZ-CB 3.7Å; F59-Q68 PolarHBondContact N-O 2.98Å; F59-Q68 PolarHBondContact O-N 3.24Å; F59-V70 HydrophobicContact CB-CG2 3.38Å; F59-Y84 WeakPolarHBondContact CD1-OH 3.38Å; F59-D110 WeakPolarHBondContact CE2-O 3.38Å; F59-A113 CarbonylContact C-O 3.52Å; F59-A113 VanDerWaalsContact CA-O 3.31Å; F59-A113 WeakPolarHBondContact CA-O 3.38Å; F59-Y114 HydrophobicContact CB-CD1 4.2Å; F59-Y114 HydrophobicContact CB-CE1 4.07Å; F59-Y114 HydrophobicContact CD2-CD1 4.09Å; F59-Y114 AromaticContact CD2-CD2 3.82Å; F59-Y114 HydrophobicContact CD2-CD2 3.82Å; F59-Y114 AromaticContact CD2-CE1 3.71Å; F59-Y114 HydrophobicContact CD2-CE1 3.71Å; F59-Y114 AromaticContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CE2 3.41Å; F59-Y114 VanDerWaalsContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CG 4.14Å; F59-Y114 AromaticContact CD2-CZ 3.33Å; F59-Y114 HydrophobicContact CE2-CD2 4.22Å; F59-Y114 HydrophobicContact CE2-CE1 4.39Å; F59-Y114 AromaticContact CE2-CE2 3.49Å; F59-Y114 HydrophobicContact CE2-CE2 3.49Å; F59-Y114 VanDerWaalsContact CE2-CE2 3.49Å; F59-Y114 AromaticContact CE2-CZ 3.58Å; F59-Y114 HydrophobicContact CG-CE1 4.09Å |
| 60 | V | 98.1 | Very high | 93.3 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.3 | 168.3 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | S64 L67 G112 A113 | V60-S64 WeakPolarHBondContact CG1-O 3.32Å; V60-L67 HydrophobicContact CG2-CD1 3.63Å; V60-G112 CarbonylContact O-C 3.53Å; V60-G112 VanDerWaalsContact O-CA 3.29Å; V60-G112 WeakPolarHBondContact O-CA 3.42Å; V60-A113 PolarHBondContact N-O 3.28Å; V60-A113 PolarHBondContact O-N 2.85Å |
| 61 | A | 95.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 144.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | F59 T63 S64 | F59-A61 HydrophobicContact CE1-CB 3.72Å; F59-A61 VanDerWaalsContact CZ-CA 3.46Å; F59-A61 HydrophobicContact CZ-CB 3.7Å; A61-T63 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.27Å |
| 62 | K | 88.8 | Confident | 94.7 | Very high | 152 Ų | 152 | 56.6 Ų | 56.6 | 66% | 0.661 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -22.6 | -176 | -174.3 | 172.3 | 179.7 | 174 | 0 | 114.9 | A111 | K62-A111 WeakPolarHBondContact CB-O 3.31Å; K62-A111 PolarHBondContact N-O 2.83Å |
| 63 | T | 88.5 | Confident | 95.2 | Very high | 143 Ų | 143 | 52.1 Ų | 52.1 | 88% | 0.877 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 4.8 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 114 | A61 | A61-T63 PolarHBondContact O-N 3.36Š|
| 64 | S | 92.5 | Very high | 95.3 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | trans | -140.5 | 161.6 | -172.8 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | V60 A61 V66 | V60-S64 WeakPolarHBondContact CG1-O 3.32Å; A61-S64 PolarHBondContact O-N 3.27Å; S64-V66 PolarHBondContact OG-N 2.99Å; S64-V66 VanDerWaalsContact OG-N 3.14Å | ||
| 65 | N | 91.5 | Very high | 94.9 | Very high | 164 Ų | 164 | 57.6 Ų | 57.6 | 88% | 0.877 | 31% | 0.307 | S | S | * | . | trans | -112.6 | 12.1 | 169.6 | -66.9 | -50.1 | 0 | 0 | 0 | 112.1 | L67 | N65-L67 PolarHBondContact O-N 2.95Š| ||
| 66 | V | 94.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | trans | -82.7 | 116.4 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | S64 | S64-V66 PolarHBondContact OG-N 2.99Å; S64-V66 VanDerWaalsContact OG-N 3.14Å | ||
| 67 | L | 95.6 | Very high | 93.9 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 131.2 | 171.4 | -167.3 | 71.6 | 0 | 0 | 0 | 110.3 | V60 N65 | V60-L67 HydrophobicContact CG2-CD1 3.63Å; N65-L67 PolarHBondContact O-N 2.95Å |
| 68 | Q | 95.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 67 Ų | 67 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.7 | 177.7 | -65.5 | 171.1 | 61.9 | 0 | 0 | 109 | S58 F59 | S58-Q68 CarbonylContact C-O 3.37Å; S58-Q68 VanDerWaalsContact CA-O 3.25Å; S58-Q68 WeakPolarHBondContact CA-O 3.45Å; F59-Q68 PolarHBondContact N-O 2.98Å; F59-Q68 PolarHBondContact O-N 3.24Å |
| 69 | Q | 97.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 134.7 | 169.9 | -175.5 | 176.2 | -40.7 | 0 | 0 | 109.1 | Y72 S81 | Q69-Y72 VanDerWaalsContact NE2-CB 3.29Å; Q69-S81 WeakPolarHBondContact O-CB 3.29Å; Q69-S81 PolarHBondContact O-OG 3.01Å |
| 70 | V | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -49.7 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | W57 F59 S81 Y84 L88 I101 I103 Y114 | W57-V70 HydrophobicContact CB-CB 4Å; W57-V70 HydrophobicContact CB-CG1 4.43Å; W57-V70 WeakPolarHBondContact O-CB 3.45Å; W57-V70 PolarHBondContact O-N 3.44Å; F59-V70 HydrophobicContact CB-CG2 3.38Å; V70-S81 PolarHBondContact O-N 3.37Å; V70-Y84 HydrophobicContact CB-CD2 4.33Å; V70-Y84 HydrophobicContact CB-CE2 4.1Å; V70-Y84 HydrophobicContact CG1-CD1 4.09Å; V70-Y84 HydrophobicContact CG1-CD2 3.86Å; V70-Y84 HydrophobicContact CG1-CE1 4.1Å; V70-Y84 HydrophobicContact CG1-CE2 3.88Å; V70-Y84 HydrophobicContact CG1-CG 3.97Å; V70-Y84 HydrophobicContact CG2-CE2 3.81Å; V70-L88 HydrophobicContact CG1-CD1 3.53Å; V70-I101 HydrophobicContact CG1-CD1 4.1Å; V70-I103 HydrophobicContact CG1-CD1 4.48Å; V70-Y114 HydrophobicContact CG2-CD1 4.15Å; V70-Y114 HydrophobicContact CG2-CE1 4.06Å |
| 71 | Y | 98.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.9 | -175.7 | 170.6 | -91.9 | 0 | 0 | 0 | 109.4 | I55 Q56 W57 S73 D78 V79 I80 L88 A90 P91 | I55-Y71 HydrophobicContact CB-CE1 4.24Å; I55-Y71 HydrophobicContact CG2-CD1 4.25Å; I55-Y71 HydrophobicContact CG2-CE1 3.9Å; Q56-Y71 WeakPolarHBondContact CA-O 3.47Å; W57-Y71 PolarHBondContact N-O 3.05Å; W57-Y71 PolarHBondContact O-N 3.3Å; Y71-S73 VanDerWaalsContact CZ-CB 3.49Å; Y71-S73 WeakPolarHBondContact OH-CB 3.28Å; Y71-D78 HydrophobicContact CE2-CB 4.01Å; Y71-D78 VanDerWaalsContact OH-CG 3.32Å; Y71-D78 PolarHBondContact OH-OD1 3.35Å; Y71-V79 WeakPolarHBondContact CA-O 3.4Å; Y71-I80 HydrophobicContact CD2-CG1 4.11Å; Y71-L88 HydrophobicContact CD2-CD2 3.89Å; Y71-A90 HydrophobicContact CD2-CB 4.37Å; Y71-A90 HydrophobicContact CE2-CB 3.47Å; Y71-A90 VanDerWaalsContact CE2-CB 3.47Å; Y71-P91 HydrophobicContact CE1-CG 4.39Å; Y71-P91 WeakPolarHBondContact OH-CD 3.49Å |
| 72 | Y | 97.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 24% | 0.235 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.6 | 168.4 | 176 | -87.9 | 0 | 0 | 0 | 108.8 | I54 I55 Q56 Q69 Q74 V79 | I54-Y72 HydrophobicContact CG2-CD2 4.37Å; I54-Y72 HydrophobicContact CG2-CE2 3.57Å; I55-Y72 CarbonylContact O-C 3.58Å; I55-Y72 WeakPolarHBondContact O-CA 3.37Å; Q56-Y72 HydrophobicContact CB-CD2 4.33Å; Q69-Y72 VanDerWaalsContact NE2-CB 3.29Å; Y72-Q74 HydrophobicContact CE1-CB 3.79Å; Y72-Q74 PolarHBondContact OH-OE1 3.35Å; Y72-V79 PolarHBondContact N-O 2.87Å; Y72-V79 PolarHBondContact O-N 3.37Å |
| 73 | S | 95 | Very high | 93.9 | Very high | 7 Ų | 7 | 75.4 Ų | 75.4 | 5% | 0.049 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 138.4 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 111 | I54 I55 Y71 E77 D78 | I54-S73 WeakPolarHBondContact CA-O 3.17Å; I55-S73 PolarHBondContact N-O 3.08Å; I55-S73 PolarHBondContact O-N 3.41Å; Y71-S73 VanDerWaalsContact CZ-CB 3.49Å; Y71-S73 WeakPolarHBondContact OH-CB 3.28Å; S73-E77 WeakPolarHBondContact CA-O 3.33Å; S73-D78 WeakPolarHBondContact CB-OD1 3.34Å; S73-D78 PolarHBondContact OG-OD1 2.99Å |
| 74 | Q | 93 | Very high | 94.3 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 42% | 0.416 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 128 | 173.2 | 179.9 | 170.2 | 41.6 | 0 | 0 | 109 | I54 Y72 G76 E77 | I54-Q74 HydrophobicContact CG1-CB 4.4Å; I54-Q74 HydrophobicContact CG1-CG 4.11Å; Y72-Q74 HydrophobicContact CE1-CB 3.79Å; Y72-Q74 PolarHBondContact OH-OE1 3.35Å; Q74-G76 PolarHBondContact O-N 3.43Å; Q74-E77 PolarHBondContact N-O 2.95Å; Q74-E77 PolarHBondContact O-N 2.95Å |
| 75 | S | 85.4 | Confident | 94.5 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 23 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 115.3 | S51 N52 | S51-S75 WeakPolarHBondContact O-CA 3.3Å; S51-S75 PolarHBondContact O-OG 3.01Å; N52-S75 PolarHBondContact OD1-OG 2.96Å |
| 76 | G | 81 | Confident | 94.7 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 6.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q74 Y93 | Q74-G76 PolarHBondContact O-N 3.43Å; G76-Y93 VanDerWaalsContact CA-CD2 3.41Å; G76-Y93 VanDerWaalsContact N-CE2 3.34Å |
| 77 | E | 91.5 | Very high | 94.8 | Very high | 154 Ų | 154 | 66 Ų | 66 | 72% | 0.72 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.4 | 167.2 | -173.3 | 173.2 | -179.8 | 0 | 0 | 109.5 | S73 Q74 | S73-E77 WeakPolarHBondContact CA-O 3.33Å; Q74-E77 PolarHBondContact N-O 2.95Å; Q74-E77 PolarHBondContact O-N 2.95Å |
| 78 | D | 94 | Very high | 95 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.2 | -173.4 | -63.5 | -16 | 0 | 0 | 0 | 111.9 | Y71 S73 | Y71-D78 HydrophobicContact CE2-CB 4.01Å; Y71-D78 VanDerWaalsContact OH-CG 3.32Å; Y71-D78 PolarHBondContact OH-OD1 3.35Å; S73-D78 WeakPolarHBondContact CB-OD1 3.34Å; S73-D78 PolarHBondContact OG-OD1 2.99Å |
| 79 | V | 96.6 | Very high | 95 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 104.3 | 177 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | Y71 Y72 | Y71-V79 WeakPolarHBondContact CA-O 3.4Å; Y72-V79 PolarHBondContact N-O 2.87Å; Y72-V79 PolarHBondContact O-N 3.37Å |
| 80 | I | 97.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.8 | 173.8 | -56.8 | 177.3 | 0 | 0 | 0 | 108.7 | Y71 E85 L88 | Y71-I80 HydrophobicContact CD2-CG1 4.11Å; I80-E85 HydrophobicContact CG2-CG 4.43Å; I80-L88 HydrophobicContact CD1-CD2 4.01Å; I80-L88 HydrophobicContact CG1-CD2 4.14Å; I80-L88 HydrophobicContact CG2-CB 4.23Å |
| 81 | S | 97.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | trans | -72.2 | 142.4 | 176.1 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | Q69 V70 P83 Y84 E85 | Q69-S81 WeakPolarHBondContact O-CB 3.29Å; Q69-S81 PolarHBondContact O-OG 3.01Å; V70-S81 PolarHBondContact O-N 3.37Å; S81-P83 VanDerWaalsContact C-N 3.34Å; S81-P83 WeakPolarHBondContact O-CD 3.5Å; S81-Y84 WeakPolarHBondContact O-CA 3.41Å; S81-Y84 WeakPolarHBondContact O-CB 3.42Å; S81-Y84 PolarHBondContact O-N 3.48Å; S81-E85 PolarHBondContact O-N 3.41Å | ||
| 82 | K | 96.2 | Very high | 94 | Very high | 173 Ų | 173 | 66.2 Ų | 66.2 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -39.4 | -44.4 | -178.3 | -68 | -175 | 176.5 | -170.1 | 0 | 116.9 | Y84 E85 | K82-Y84 PolarHBondContact O-N 2.96Å; K82-Y84 VanDerWaalsContact O-N 3.09Å; K82-E85 WeakPolarHBondContact CA-OE1 3.42Å; K82-E85 VanDerWaalsContact CG-OE1 3.28Å; K82-E85 WeakPolarHBondContact CG-OE1 3.18Å; K82-E85 PolarHBondContact O-N 2.9Å |
| 83 | P | 95.4 | Very high | 93.3 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -65.7 | -10 | 178.8 | -20.7 | 34.6 | 0 | 0 | 0 | 114.8 | S81 R87 | S81-P83 VanDerWaalsContact C-N 3.34Å; S81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-R87 VanDerWaalsContact O-CZ 3.31Å; P83-R87 PolarHBondContact O-NE 3.45Å; P83-R87 PolarHBondContact O-NH2 2.84Å |
| 84 | Y | 96.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -120.4 | -4.4 | -176.1 | -59 | -81.1 | 0 | 0 | 0 | 113 | F59 V70 S81 K82 G86 R87 L88 I103 Y114 | F59-Y84 WeakPolarHBondContact CD1-OH 3.38Å; V70-Y84 HydrophobicContact CB-CD2 4.33Å; V70-Y84 HydrophobicContact CB-CE2 4.1Å; V70-Y84 HydrophobicContact CG1-CD1 4.09Å; V70-Y84 HydrophobicContact CG1-CD2 3.86Å; V70-Y84 HydrophobicContact CG1-CE1 4.1Å; V70-Y84 HydrophobicContact CG1-CE2 3.88Å; V70-Y84 HydrophobicContact CG1-CG 3.97Å; V70-Y84 HydrophobicContact CG2-CE2 3.81Å; S81-Y84 WeakPolarHBondContact O-CA 3.41Å; S81-Y84 WeakPolarHBondContact O-CB 3.42Å; S81-Y84 PolarHBondContact O-N 3.48Å; K82-Y84 PolarHBondContact O-N 2.96Å; K82-Y84 VanDerWaalsContact O-N 3.09Å; Y84-G86 PolarHBondContact O-N 2.95Å; Y84-R87 WeakPolarHBondContact O-CG 3.22Å; Y84-R87 PolarHBondContact O-N 3.37Å; Y84-L88 HydrophobicContact CG-CD1 4.5Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.45Å; Y84-I103 HydrophobicContact CD1-CD1 4.15Å; Y84-I103 HydrophobicContact CD1-CG2 4.09Å; Y84-I103 HydrophobicContact CE1-CD1 4Å; Y84-I103 HydrophobicContact CE1-CG2 4.45Å; Y84-Y114 HydrophobicContact CE1-CE1 4.35Å; Y84-Y114 PolarHBondContact OH-OH 2.84Å |
| 85 | E | 96.2 | Very high | 92 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 55% | 0.547 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.4 | 174.5 | -76.7 | 175.4 | -155.7 | 0 | 0 | 110.9 | I80 S81 K82 R87 | I80-E85 HydrophobicContact CG2-CG 4.43Å; S81-E85 PolarHBondContact O-N 3.41Å; K82-E85 WeakPolarHBondContact CA-OE1 3.42Å; K82-E85 VanDerWaalsContact CG-OE1 3.28Å; K82-E85 WeakPolarHBondContact CG-OE1 3.18Å; K82-E85 PolarHBondContact O-N 2.9Å; E85-R87 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact O-N 3.15Å |
| 86 | G | 96.1 | Very high | 91.9 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 92% | 0.918 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -3.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y84 | Y84-G86 PolarHBondContact O-N 2.95Š|
| 87 | R | 97.3 | Very high | 92.4 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -17.2 | 178.3 | 69 | 178.7 | -171.5 | 118.3 | -5.3 | 115.5 | P83 Y84 E85 S104 D110 | P83-R87 VanDerWaalsContact O-CZ 3.31Å; P83-R87 PolarHBondContact O-NE 3.45Å; P83-R87 PolarHBondContact O-NH2 2.84Å; Y84-R87 WeakPolarHBondContact O-CG 3.22Å; Y84-R87 PolarHBondContact O-N 3.37Å; E85-R87 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact O-N 3.15Å; R87-S104 WeakPolarHBondContact CA-OG 3.48Å; R87-S104 WeakPolarHBondContact CB-OG 3.44Å; R87-S104 PolarHBondContact O-N 2.85Å; R87-S104 PolarHBondContact O-OG 3.25Å; R87-D110 IonicContact CZ-OD1 2.84Å; R87-D110 IonicContact CZ-OD2 3.74Å; R87-D110 IonicContact NH1-OD1 2.75Å; R87-D110 IonicContact NH1-OD2 3.37Å; R87-D110 PolarHBondContact NH1-OD2 2.81Å; R87-D110 IonicContact NH2-OD1 3.6Å; R87-D110 PolarHBondContact NH2-OD1 3.43Å; R87-D110 IonicContact NH2-OD2 3.44Å; R87-D110 PolarHBondContact NH2-OD2 2.77Å |
| 88 | L | 98.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.2 | 172.4 | -176.9 | 154.1 | 0 | 0 | 0 | 110.9 | V70 Y71 I80 Y84 I101 T102 I103 | V70-L88 HydrophobicContact CG1-CD1 3.53Å; Y71-L88 HydrophobicContact CD2-CD2 3.89Å; I80-L88 HydrophobicContact CD1-CD2 4.01Å; I80-L88 HydrophobicContact CG1-CD2 4.14Å; I80-L88 HydrophobicContact CG2-CB 4.23Å; Y84-L88 HydrophobicContact CG-CD1 4.5Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.45Å; L88-I101 HydrophobicContact CD1-CD1 3.86Å; L88-I101 HydrophobicContact CD2-CG2 4.29Å; L88-I101 HydrophobicContact CG-CB 4.42Å; L88-T102 WeakPolarHBondContact CA-O 3.33Å; L88-I103 HydrophobicContact CD1-CG1 4.28Å; L88-I103 HydrophobicContact CG-CG1 4.42Å |
| 89 | N | 96.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 64 Ų | 64 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.9 | 167.7 | -59.1 | -58.3 | 0 | 0 | 0 | 109 | T102 | N89-T102 PolarHBondContact N-O 2.94Å; N89-T102 PolarHBondContact O-N 2.89Å |
| 90 | A | 93.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 159.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y71 | Y71-A90 HydrophobicContact CD2-CB 4.37Å; Y71-A90 HydrophobicContact CE2-CB 3.47Å; Y71-A90 VanDerWaalsContact CE2-CB 3.47Å |
| 91 | P | 90.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.078 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 144.9 | 168 | -9.6 | 26.3 | 0 | 0 | 0 | 110.7 | I55 Y71 Y93 S100 I101 | I55-P91 HydrophobicContact CD1-CG 4.47Å; Y71-P91 HydrophobicContact CE1-CG 4.39Å; Y71-P91 WeakPolarHBondContact OH-CD 3.49Å; P91-Y93 PolarHBondContact O-N 2.81Å; P91-S100 WeakPolarHBondContact CG-O 3.38Å; P91-I101 HydrophobicContact CG-CG2 4.21Å |
| 92 | T | 87.9 | Confident | 92.7 | Very high | 129 Ų | 129 | 60 Ų | 60 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 123.4 | 178.6 | -49.8 | 0 | 0 | 0 | 0 | 112 | P94 A95 | T92-P94 CarbonylContact O-C 3.57Å; T92-A95 PolarHBondContact O-N 3.02Å |
| 93 | Y | 83.3 | Confident | 92.8 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -80.3 | 141.2 | 170.8 | -176.6 | -94.7 | 0 | 0 | 0 | 112 | S51 G76 P91 | S51-Y93 PolarHBondContact O-OH 2.92Å; G76-Y93 VanDerWaalsContact CA-CD2 3.41Å; G76-Y93 VanDerWaalsContact N-CE2 3.34Å; P91-Y93 PolarHBondContact O-N 2.81Å |
| 94 | P | 79.2 | Confident | 93 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | S | Bend | cis | -73.9 | 129 | -4.7 | 30.6 | -34.2 | 0 | 0 | 0 | 112.2 | T92 T96 | T92-P94 CarbonylContact O-C 3.57Å; P94-T96 PolarHBondContact O-N 2.96Å |
| 95 | A | 80.1 | Confident | 93 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 116.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F43 T50 I53 I55 T92 | F43-A95 HydrophobicContact CE1-CB 4.36Å; F43-A95 HydrophobicContact CZ-CB 4.34Å; T50-A95 VanDerWaalsContact CB-O 3.28Å; T50-A95 WeakPolarHBondContact CB-O 3.41Å; T50-A95 PolarHBondContact OG1-O 3.07Å; I53-A95 HydrophobicContact CG2-CB 4.2Å; I55-A95 HydrophobicContact CD1-CB 3.56Å; T92-A95 PolarHBondContact O-N 3.02Å |
| 96 | T | 83.4 | Confident | 93.1 | Very high | 95 Ų | 95 | 48 Ų | 48 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -100.9 | -35.5 | -179.4 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | F43 P94 | F43-T96 WeakPolarHBondContact CE2-O 3.11Å; F43-T96 VanDerWaalsContact CZ-C 3.49Å; P94-T96 PolarHBondContact O-N 2.96Å |
| 97 | S | 91.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 47 Ų | 47 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -155.1 | 0.3 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | T42 F43 | T42-S97 CarbonylContact C-O 3.56Å; T42-S97 VanDerWaalsContact CA-O 3.22Å; T42-S97 WeakPolarHBondContact CA-O 3.46Å; T42-S97 VanDerWaalsContact CB-O 3.32Å; T42-S97 WeakPolarHBondContact CB-O 3.16Å; F43-S97 VanDerWaalsContact CE1-C 3.47Å; F43-S97 PolarHBondContact N-O 3.27Å |
| 98 | N | 94.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -122.4 | 124.5 | -173.2 | -169.6 | -4.1 | 0 | 0 | 0 | 110.3 | C41 S100 | C41-N98 PolarHBondContact O-OD1 3.46Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.91Å; N98-S100 PolarHBondContact OD1-OG 2.89Å |
| 99 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -122.9 | 15.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C41 F43 I55 W57 V118 | C41-A99 HydrophobicContact CB-CB 4.34Å; C41-A99 CarbonylContact O-C 3.57Å; C41-A99 PolarHBondContact O-N 2.8Å; F43-A99 HydrophobicContact CD1-CB 4.06Å; F43-A99 HydrophobicContact CE1-CB 4.27Å; I55-A99 HydrophobicContact CD1-CB 3.84Å; I55-A99 HydrophobicContact CG1-CB 4.09Å; I55-A99 HydrophobicContact CG2-CB 3.87Å; W57-A99 PolarHBondContact NE1-O 2.95Å; A99-V118 HydrophobicContact CB-CG2 3.84Å | ||
| 100 | S | 97.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | trans | -67.4 | 139.5 | -178.1 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | L39 Q40 C41 P91 N98 | L39-S100 VanDerWaalsContact O-CA 3.3Å; L39-S100 WeakPolarHBondContact O-CA 3.23Å; L39-S100 WeakPolarHBondContact O-CB 3.33Å; Q40-S100 WeakPolarHBondContact CA-OG 3.36Å; C41-S100 PolarHBondContact N-OG 2.93Å; C41-S100 PolarHBondContact O-N 3.1Å; C41-S100 VanDerWaalsContact O-N 3.13Å; C41-S100 PolarHBondContact O-OG 3.41Å; C41-S100 VanDerWaalsContact O-OG 3.12Å; P91-S100 WeakPolarHBondContact CG-O 3.38Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.91Å; N98-S100 PolarHBondContact OD1-OG 2.89Å | ||
| 101 | I | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.4 | 171.1 | 56.9 | 174.9 | 0 | 0 | 0 | 110.5 | L39 W57 V70 L88 P91 I103 | L39-I101 HydrophobicContact CB-CG1 4.02Å; L39-I101 HydrophobicContact CD1-CD1 4.2Å; L39-I101 HydrophobicContact CD1-CG1 4.22Å; L39-I101 HydrophobicContact CG-CG1 4.43Å; L39-I101 PolarHBondContact N-O 3.28Å; L39-I101 PolarHBondContact O-N 3.36Å; W57-I101 HydrophobicContact CB-CD1 4.09Å; W57-I101 HydrophobicContact CD2-CD1 3.63Å; W57-I101 HydrophobicContact CD2-CG1 3.95Å; W57-I101 HydrophobicContact CE3-CD1 4.09Å; W57-I101 HydrophobicContact CE3-CG1 4.46Å; W57-I101 HydrophobicContact CG-CD1 3.65Å; W57-I101 HydrophobicContact CG-CG1 4.27Å; W57-I101 HydrophobicContact CH2-CG1 4.45Å; W57-I101 HydrophobicContact CZ2-CG1 3.95Å; V70-I101 HydrophobicContact CG1-CD1 4.1Å; L88-I101 HydrophobicContact CD1-CD1 3.86Å; L88-I101 HydrophobicContact CD2-CG2 4.29Å; L88-I101 HydrophobicContact CG-CB 4.42Å; P91-I101 HydrophobicContact CG-CG2 4.21Å; I101-I103 HydrophobicContact CD1-CD1 4.04Å; I101-I103 HydrophobicContact CD1-CG1 4.19Å; I101-I103 HydrophobicContact CG1-CG1 4.49Å |
| 102 | T | 98.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.5 | 168.1 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | A37 L38 L88 N89 | A37-T102 CarbonylContact O-C 3.48Å; A37-T102 VanDerWaalsContact O-CA 3.27Å; A37-T102 WeakPolarHBondContact O-CA 3.3Å; L38-T102 WeakPolarHBondContact CD1-OG1 3.27Å; L88-T102 WeakPolarHBondContact CA-O 3.33Å; N89-T102 PolarHBondContact N-O 2.94Å; N89-T102 PolarHBondContact O-N 2.89Å |
| 103 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118 | 176.3 | -51.2 | 176.9 | 0 | 0 | 0 | 107.8 | S36 A37 L39 V70 Y84 L88 I101 M106 Y114 | S36-I103 CarbonylContact C-O 3.47Å; S36-I103 VanDerWaalsContact CA-O 3.3Å; S36-I103 WeakPolarHBondContact CA-O 3.21Å; A37-I103 PolarHBondContact N-O 3Å; A37-I103 PolarHBondContact O-N 2.91Å; L39-I103 HydrophobicContact CD1-CD1 3.92Å; V70-I103 HydrophobicContact CG1-CD1 4.48Å; Y84-I103 HydrophobicContact CD1-CD1 4.15Å; Y84-I103 HydrophobicContact CD1-CG2 4.09Å; Y84-I103 HydrophobicContact CE1-CD1 4Å; Y84-I103 HydrophobicContact CE1-CG2 4.45Å; L88-I103 HydrophobicContact CD1-CG1 4.28Å; L88-I103 HydrophobicContact CG-CG1 4.42Å; I101-I103 HydrophobicContact CD1-CD1 4.04Å; I101-I103 HydrophobicContact CD1-CG1 4.19Å; I101-I103 HydrophobicContact CG1-CG1 4.49Å; I103-M106 HydrophobicContact CB-SD 3.53Å; I103-M106 VanDerWaalsContact CB-SD 3.53Å; I103-M106 HydrophobicContact CG2-SD 3.44Å; I103-M106 WeakPolarHBondContact CG2-SD 3.29Å; I103-Y114 HydrophobicContact CD1-CD1 4.44Å; I103-Y114 HydrophobicContact CD1-CE1 3.8Å |
| 104 | S | 98.4 | Very high | 94.5 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | trans | -90 | 162.5 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | S36 R87 M106 | S36-S104 WeakPolarHBondContact OG-CA 3.28Å; S36-S104 WeakPolarHBondContact OG-CB 3.35Å; R87-S104 WeakPolarHBondContact CA-OG 3.48Å; R87-S104 WeakPolarHBondContact CB-OG 3.44Å; R87-S104 PolarHBondContact O-N 2.85Å; R87-S104 PolarHBondContact O-OG 3.25Å; S104-M106 PolarHBondContact O-N 2.8Å | ||
| 105 | N | 97.7 | Very high | 95.4 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 51 | 51 | 179 | -171.6 | 37.9 | 0 | 0 | 0 | 112.8 | E35 Q107 | E35-N105 PolarHBondContact O-N 2.83Å; N105-Q107 PolarHBondContact ND2-NE2 2.69Å; N105-Q107 PolarHBondContact O-N 2.93Å; N105-Q107 PolarHBondContact O-NE2 2.63Å; N105-Q107 PolarHBondContact OD1-NE2 3.33Å |
| 106 | M | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -60.5 | 124.9 | -176.7 | -67.1 | -67 | -67.3 | 0 | 0 | 111.5 | V31 N33 G34 E35 A37 I103 S104 D110 V134 I136 | V31-M106 HydrophobicContact CG1-CB 4.26Å; V31-M106 HydrophobicContact CG1-CG 4.12Å; N33-M106 PolarHBondContact OD1-O 2.99Å; G34-M106 PolarHBondContact N-O 3.38Å; E35-M106 WeakPolarHBondContact O-CB 3.19Å; E35-M106 WeakPolarHBondContact O-CG 3.41Å; E35-M106 PolarHBondContact O-N 2.84Å; A37-M106 HydrophobicContact CB-CE 3.93Å; A37-M106 HydrophobicContact CB-CG 3.82Å; A37-M106 HydrophobicContact CB-SD 3.76Å; I103-M106 HydrophobicContact CB-SD 3.53Å; I103-M106 VanDerWaalsContact CB-SD 3.53Å; I103-M106 HydrophobicContact CG2-SD 3.44Å; I103-M106 WeakPolarHBondContact CG2-SD 3.29Å; S104-M106 PolarHBondContact O-N 2.8Å; M106-D110 HydrophobicContact CE-CB 3.68Å; M106-D110 HydrophobicContact SD-CB 4.48Å; M106-V134 HydrophobicContact CE-CG1 3.82Å; M106-I136 HydrophobicContact CB-CD1 3.83Å; M106-I136 HydrophobicContact CE-CD1 3.84Å | ||
| 107 | Q | 95.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 31.8 Ų | 31.8 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | trans | -103.4 | 159.2 | -178.8 | -59.7 | -55.6 | -60.9 | 0 | 0 | 111.2 | N105 S109 D110 I136 | N105-Q107 PolarHBondContact ND2-NE2 2.69Å; N105-Q107 PolarHBondContact O-N 2.93Å; N105-Q107 PolarHBondContact O-NE2 2.63Å; N105-Q107 PolarHBondContact OD1-NE2 3.33Å; Q107-S109 PolarHBondContact O-N 2.75Å; Q107-D110 PolarHBondContact N-OD2 2.84Å; Q107-D110 WeakPolarHBondContact O-CA 3.09Å; Q107-D110 VanDerWaalsContact O-CB 3.25Å; Q107-D110 WeakPolarHBondContact O-CB 3.22Å; Q107-D110 PolarHBondContact O-N 2.06Å; Q107-I136 WeakPolarHBondContact O-CG1 2.98Å | ||
| 108 | V | 94.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 42% | 0.418 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -53.9 | -31.7 | 176.7 | -179 | 0 | 0 | 0 | 0 | 112.8 | D110 A111 I136 E138 | V108-D110 PolarHBondContact O-N 3.23Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.73Å; V108-I136 HydrophobicContact CG2-CG2 4.2Å; V108-E138 WeakPolarHBondContact CG2-OE2 3.42Å |
| 109 | S | 94.3 | Very high | 97 | Very high | 90 Ų | 90 | 26.9 Ų | 26.9 | 63% | 0.629 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -65.7 | -20.7 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | Q107 A111 | Q107-S109 PolarHBondContact O-N 2.75Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 3.08Å |
| 110 | D | 96.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -81 | -3 | 177.8 | -60.8 | -39.8 | 0 | 0 | 0 | 112.6 | F59 R87 M106 Q107 V108 G112 Y114 | F59-D110 WeakPolarHBondContact CE2-O 3.38Å; R87-D110 IonicContact CZ-OD1 2.84Å; R87-D110 IonicContact CZ-OD2 3.74Å; R87-D110 IonicContact NH1-OD1 2.75Å; R87-D110 IonicContact NH1-OD2 3.37Å; R87-D110 PolarHBondContact NH1-OD2 2.81Å; R87-D110 IonicContact NH2-OD1 3.6Å; R87-D110 PolarHBondContact NH2-OD1 3.43Å; R87-D110 IonicContact NH2-OD2 3.44Å; R87-D110 PolarHBondContact NH2-OD2 2.77Å; M106-D110 HydrophobicContact CE-CB 3.68Å; M106-D110 HydrophobicContact SD-CB 4.48Å; Q107-D110 PolarHBondContact N-OD2 2.84Å; Q107-D110 WeakPolarHBondContact O-CA 3.09Å; Q107-D110 VanDerWaalsContact O-CB 3.25Å; Q107-D110 WeakPolarHBondContact O-CB 3.22Å; Q107-D110 PolarHBondContact O-N 2.06Å; V108-D110 PolarHBondContact O-N 3.23Å; D110-G112 PolarHBondContact O-N 3.27Å; D110-Y114 WeakPolarHBondContact CB-OH 3.1Å; D110-Y114 WeakPolarHBondContact O-CE2 3.12Å; D110-Y114 PolarHBondContact O-OH 3.48Å |
| 111 | A | 97.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | trans | -70.7 | 124.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K62 V108 S109 V134 I136 | K62-A111 WeakPolarHBondContact CB-O 3.31Å; K62-A111 PolarHBondContact N-O 2.83Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.73Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 3.08Å; A111-V134 WeakPolarHBondContact CA-O 3.35Å; A111-I136 HydrophobicContact CB-CB 4.33Å; A111-I136 HydrophobicContact CB-CG1 3.95Å | ||
| 112 | G | 97.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -165.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | V60 D110 V134 | V60-G112 CarbonylContact O-C 3.53Å; V60-G112 VanDerWaalsContact O-CA 3.29Å; V60-G112 WeakPolarHBondContact O-CA 3.42Å; D110-G112 PolarHBondContact O-N 3.27Å; G112-V134 PolarHBondContact N-O 2.89Å; G112-V134 PolarHBondContact O-N 2.81Å |
| 113 | A | 98.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 21% | 0.207 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F59 V60 T131 I132 I133 | F59-A113 CarbonylContact C-O 3.52Å; F59-A113 VanDerWaalsContact CA-O 3.31Å; F59-A113 WeakPolarHBondContact CA-O 3.38Å; V60-A113 PolarHBondContact N-O 3.28Å; V60-A113 PolarHBondContact O-N 2.85Å; A113-T131 HydrophobicContact CB-CG2 3.82Å; A113-I132 WeakPolarHBondContact CA-O 3.23Å; A113-I133 HydrophobicContact CB-CD1 3.69Å |
| 114 | Y | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.4 | 171.9 | -71.1 | -100 | 0 | 0 | 0 | 109.1 | L39 S58 F59 V70 Y84 I103 D110 T131 I132 V134 | L39-Y114 HydrophobicContact CD1-CD1 3.65Å; L39-Y114 HydrophobicContact CD1-CD2 4.17Å; L39-Y114 HydrophobicContact CD1-CE1 4.19Å; L39-Y114 HydrophobicContact CD1-CG 3.65Å; S58-Y114 CarbonylContact O-C 3.54Å; S58-Y114 VanDerWaalsContact O-CA 3.3Å; S58-Y114 WeakPolarHBondContact O-CA 3.31Å; F59-Y114 HydrophobicContact CB-CD1 4.2Å; F59-Y114 HydrophobicContact CB-CE1 4.07Å; F59-Y114 HydrophobicContact CD2-CD1 4.09Å; F59-Y114 AromaticContact CD2-CD2 3.82Å; F59-Y114 HydrophobicContact CD2-CD2 3.82Å; F59-Y114 AromaticContact CD2-CE1 3.71Å; F59-Y114 HydrophobicContact CD2-CE1 3.71Å; F59-Y114 AromaticContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CE2 3.41Å; F59-Y114 VanDerWaalsContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CG 4.14Å; F59-Y114 AromaticContact CD2-CZ 3.33Å; F59-Y114 HydrophobicContact CE2-CD2 4.22Å; F59-Y114 HydrophobicContact CE2-CE1 4.39Å; F59-Y114 AromaticContact CE2-CE2 3.49Å; F59-Y114 HydrophobicContact CE2-CE2 3.49Å; F59-Y114 VanDerWaalsContact CE2-CE2 3.49Å; F59-Y114 AromaticContact CE2-CZ 3.58Å; F59-Y114 HydrophobicContact CG-CE1 4.09Å; V70-Y114 HydrophobicContact CG2-CD1 4.15Å; V70-Y114 HydrophobicContact CG2-CE1 4.06Å; Y84-Y114 HydrophobicContact CE1-CE1 4.35Å; Y84-Y114 PolarHBondContact OH-OH 2.84Å; I103-Y114 HydrophobicContact CD1-CD1 4.44Å; I103-Y114 HydrophobicContact CD1-CE1 3.8Å; D110-Y114 WeakPolarHBondContact CB-OH 3.1Å; D110-Y114 WeakPolarHBondContact O-CE2 3.12Å; D110-Y114 PolarHBondContact O-OH 3.48Å; Y114-T131 CarbonylContact O-C 3.53Å; Y114-T131 WeakPolarHBondContact O-CA 3.26Å; Y114-I132 PolarHBondContact N-O 3.35Å; Y114-I132 PolarHBondContact O-N 2.88Å; Y114-V134 HydrophobicContact CD2-CB 3.97Å; Y114-V134 HydrophobicContact CD2-CG2 3.45Å; Y114-V134 VanDerWaalsContact CD2-CG2 3.45Å; Y114-V134 HydrophobicContact CE2-CB 3.86Å; Y114-V134 HydrophobicContact CE2-CG1 4.48Å; Y114-V134 HydrophobicContact CE2-CG2 3.72Å; Y114-V134 HydrophobicContact CG-CG2 4.41Å |
| 115 | T | 98.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.4 | 177.3 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | W57 S58 E129 A130 T131 | W57-T115 WeakPolarHBondContact CA-O 3.32Å; S58-T115 PolarHBondContact N-O 3.33Å; S58-T115 PolarHBondContact O-N 3.44Å; T115-E129 HydrophobicContact CG2-CB 3.98Å; T115-A130 WeakPolarHBondContact CA-O 3.41Å; T115-T131 PolarHBondContact OG1-OG1 3.18Å |
| 116 | C | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.6 | 168.3 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | C41 W57 E129 A130 | C41-C116 HydrophobicContact CB-CB 3.67Å; C41-C116 WeakPolarHBondContact CB-SG 3.47Å; C41-C116 WeakPolarHBondContact SG-CB 3.28Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.37Å; W57-C116 HydrophobicContact CD2-CB 3.95Å; W57-C116 HydrophobicContact CE3-CB 3.96Å; W57-C116 HydrophobicContact CH2-CB 3.67Å; W57-C116 HydrophobicContact CZ2-CB 3.63Å; W57-C116 HydrophobicContact CZ3-CB 3.82Å; C116-E129 CarbonylContact O-C 3.5Å; C116-E129 WeakPolarHBondContact O-CA 3.48Å; C116-A130 PolarHBondContact N-O 3.02Å; C116-A130 PolarHBondContact O-N 3.17Å |
| 117 | E | 97.1 | Very high | 92 | Very high | 42 Ų | 42 | 43 Ų | 43 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.8 | 178.9 | -178 | -177.9 | -172.3 | 0 | 0 | 109 | Q56 H119 T128 E129 | Q56-E117 HydrophobicContact CB-CB 4.29Å; Q56-E117 PolarHBondContact N-O 3.47Å; Q56-E117 PolarHBondContact NE2-OE2 2.03Å; Q56-E117 PolarHBondContact O-N 3.5Å; E117-H119 WeakPolarHBondContact CG-NE2 3.12Å; E117-H119 IonicContact OE1-CD2 3.77Å; E117-H119 IonicContact OE1-CE1 3.62Å; E117-H119 IonicContact OE1-NE2 2.74Å; E117-H119 PolarHBondContact OE1-NE2 3.44Å; E117-T128 CarbonylContact C-O 3.57Å; E117-T128 WeakPolarHBondContact CA-O 3.26Å; E117-E129 HydrophobicContact CB-CB 4.32Å; E117-E129 HydrophobicContact CG-CB 4.45Å |
| 118 | V | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.4 | -177.3 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | I20 V22 F43 I53 I54 I55 A99 T128 | I20-V118 HydrophobicContact CD1-CB 4.14Å; I20-V118 HydrophobicContact CD1-CG1 3.81Å; V22-V118 HydrophobicContact CG2-CB 3.72Å; V22-V118 HydrophobicContact CG2-CG2 3.81Å; F43-V118 HydrophobicContact CB-CB 4.49Å; F43-V118 HydrophobicContact CB-CG1 4.4Å; F43-V118 HydrophobicContact CB-CG2 4.47Å; F43-V118 HydrophobicContact CD1-CG1 3.91Å; F43-V118 HydrophobicContact CD1-CG2 4.17Å; F43-V118 HydrophobicContact CD2-CG1 4.33Å; F43-V118 HydrophobicContact CE1-CG1 4.29Å; F43-V118 HydrophobicContact CG-CG1 3.94Å; I53-V118 HydrophobicContact CD1-CG1 3.66Å; I53-V118 HydrophobicContact CG1-CG1 3.85Å; I54-V118 WeakPolarHBondContact O-CA 3.32Å; I55-V118 HydrophobicContact CG1-CG1 4.22Å; I55-V118 HydrophobicContact CG1-CG2 4.44Å; A99-V118 HydrophobicContact CB-CG2 3.84Å; V118-T128 PolarHBondContact N-O 2.84Å |
| 119 | H | 93.3 | Very high | 92 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.7 | 175.9 | -62.8 | -80.5 | 0 | 0 | 0 | 110.6 | I53 I54 E117 F121 | I53-H119 WeakPolarHBondContact CG1-O 3.27Å; I54-H119 HydrophobicContact CB-CB 4.37Å; I54-H119 PolarHBondContact N-O 3.28Å; I54-H119 PolarHBondContact O-N 2.85Å; E117-H119 WeakPolarHBondContact CG-NE2 3.12Å; E117-H119 IonicContact OE1-CD2 3.77Å; E117-H119 IonicContact OE1-CE1 3.62Å; E117-H119 IonicContact OE1-NE2 2.74Å; E117-H119 PolarHBondContact OE1-NE2 3.44Å; H119-F121 HydrophobicContact CB-CE2 4.49Å |
| 120 | N | 90.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -133 | 74.7 | 177.6 | -169.2 | 37.6 | 0 | 0 | 0 | 111.1 | I20 T45 V47 N49 I53 D123 | I20-N120 HydrophobicContact CD1-CB 4.08Å; T45-N120 PolarHBondContact OG1-ND2 3.2Å; V47-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-OD1 3.08Å; I53-N120 HydrophobicContact CG1-CB 4.21Å; N120-D123 PolarHBondContact N-O 3.02Å; N120-D123 WeakPolarHBondContact O-CA 3.41Å; N120-D123 VanDerWaalsContact O-CB 3.3Å; N120-D123 WeakPolarHBondContact O-CB 3.34Å; N120-D123 PolarHBondContact O-N 3.07Å |
| 121 | F | 88.2 | Confident | 92.3 | Very high | 134 Ų | 134 | 41 Ų | 41 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 133.4 | -172.2 | -73.6 | -83.6 | 0 | 0 | 0 | 113.5 | I54 H119 V124 | I54-F121 HydrophobicContact CD1-CE2 4.02Å; H119-F121 HydrophobicContact CB-CE2 4.49Å; F121-V124 HydrophobicContact CD1-CG1 3.62Å; F121-V124 HydrophobicContact CE1-CG1 3.48Å; F121-V124 VanDerWaalsContact CE1-CG1 3.48Å; F121-V124 HydrophobicContact CG-CG1 4.27Å; F121-V124 HydrophobicContact CZ-CG1 4.01Å |
| 122 | P | 84.7 | Confident | 92.4 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | 3.4 | 4.8 | 33 | -39.4 | 0 | 0 | 0 | 116.9 | V47 V124 | V47-P122 HydrophobicContact CG2-CG 4.07Å; P122-V124 PolarHBondContact O-N 2.8Å |
| 123 | D | 80.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 88 | 175.4 | -68.4 | -4.5 | 0 | 0 | 0 | 111.2 | H18 L19 I20 T45 T46 V47 N120 | H18-D123 WeakPolarHBondContact CA-OD1 3.28Å; H18-D123 WeakPolarHBondContact CB-OD1 3.26Å; H18-D123 IonicContact CD2-OD1 3.28Å; H18-D123 PolarHBondContact CD2-OD1 3.06Å; H18-D123 VanDerWaalsContact CD2-OD1 3.28Å; H18-D123 IonicContact CG-OD1 3.52Å; L19-D123 PolarHBondContact N-OD1 2.85Å; I20-D123 HydrophobicContact CB-CB 4.09Å; I20-D123 WeakPolarHBondContact CG2-O 3.34Å; T45-D123 PolarHBondContact OG1-OD2 2.82Å; T46-D123 WeakPolarHBondContact CA-OD2 3.44Å; T46-D123 PolarHBondContact N-OD2 2.88Å; T46-D123 VanDerWaalsContact OG1-CG 3.22Å; T46-D123 PolarHBondContact OG1-OD1 2.86Å; T46-D123 PolarHBondContact OG1-OD2 2.93Å; V47-D123 HydrophobicContact CG2-CB 4.34Å; V47-D123 VanDerWaalsContact CG2-CG 3.46Å; V47-D123 VanDerWaalsContact CG2-OD1 3.24Å; V47-D123 WeakPolarHBondContact CG2-OD1 3.11Å; V47-D123 PolarHBondContact N-OD2 2.58Å; N120-D123 PolarHBondContact N-O 3.02Å; N120-D123 WeakPolarHBondContact O-CA 3.41Å; N120-D123 VanDerWaalsContact O-CB 3.3Å; N120-D123 WeakPolarHBondContact O-CB 3.34Å; N120-D123 PolarHBondContact O-N 3.07Å |
| 124 | V | 71.8 | Confident | 92.4 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 35% | 0.345 | 23% | 0.23 | S | C | . | . | trans | -119.9 | -6.5 | 170.8 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | F121 P122 T128 | F121-V124 HydrophobicContact CD1-CG1 3.62Å; F121-V124 HydrophobicContact CE1-CG1 3.48Å; F121-V124 VanDerWaalsContact CE1-CG1 3.48Å; F121-V124 HydrophobicContact CG-CG1 4.27Å; F121-V124 HydrophobicContact CZ-CG1 4.01Å; P122-V124 PolarHBondContact O-N 2.8Å; V124-T128 WeakPolarHBondContact O-CG2 3.4Å | ||
| 125 | N | 79.4 | Confident | 92.4 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 152 | 172.3 | -59.1 | 95 | 0 | 0 | 0 | 110.2 | H18 L19 I20 | H18-N125 WeakPolarHBondContact O-CB 3.43Å; L19-N125 WeakPolarHBondContact CA-O 3.45Å; I20-N125 PolarHBondContact N-O 2.75Å |
| 126 | G | 87.1 | Confident | 92.3 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 57% | 0.567 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 110.4 | -139.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 | L19-G126 VanDerWaalsContact CD1-CA 3.41Å |
| 127 | K | 93.4 | Very high | 92.3 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 87.9 | 179.7 | -177.5 | 174.3 | 177.9 | -106.5 | 0 | 108.3 | I20 T21 V22 E129 | I20-K127 PolarHBondContact O-N 2.96Å; T21-K127 CarbonylContact C-O 3.56Å; T21-K127 WeakPolarHBondContact CA-O 3.28Å; V22-K127 PolarHBondContact N-O 2.74Å; V22-K127 PolarHBondContact O-NZ 2.94Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 VanDerWaalsContact CE-O 3.24Å; K127-E129 WeakPolarHBondContact CE-O 3.47Å; K127-E129 WeakPolarHBondContact CG-O 3.42Å; K127-E129 PolarHBondContact O-N 2.93Å |
| 128 | T | 95 | Very high | 92.3 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 17% | 0.172 | 24% | 0.24 | C | C | . | . | trans | -74.7 | -14.5 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | I20 V22 E117 V118 V124 | I20-T128 HydrophobicContact CG2-CG2 3.65Å; V22-T128 VanDerWaalsContact CG2-O 3.26Å; V22-T128 WeakPolarHBondContact CG2-O 3.47Å; E117-T128 CarbonylContact C-O 3.57Å; E117-T128 WeakPolarHBondContact CA-O 3.26Å; V118-T128 PolarHBondContact N-O 2.84Å; V124-T128 WeakPolarHBondContact O-CG2 3.4Å | ||
| 129 | E | 96.8 | Very high | 92.4 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 159.6 | -175.5 | 62.3 | 168.1 | -158.5 | 0 | 0 | 114.4 | T115 C116 E117 K127 | T115-E129 HydrophobicContact CG2-CB 3.98Å; C116-E129 CarbonylContact O-C 3.5Å; C116-E129 WeakPolarHBondContact O-CA 3.48Å; E117-E129 HydrophobicContact CB-CB 4.32Å; E117-E129 HydrophobicContact CG-CB 4.45Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 VanDerWaalsContact CE-O 3.24Å; K127-E129 WeakPolarHBondContact CE-O 3.47Å; K127-E129 WeakPolarHBondContact CG-O 3.42Å; K127-E129 PolarHBondContact O-N 2.93Å |
| 130 | A | 98 | Very high | 92.6 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 141 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | V22 V24 T115 C116 | V22-A130 HydrophobicContact CG1-CB 3.87Å; V24-A130 HydrophobicContact CB-CB 4.34Å; V24-A130 HydrophobicContact CG1-CB 3.62Å; V24-A130 HydrophobicContact CG2-CB 3.92Å; T115-A130 WeakPolarHBondContact CA-O 3.41Å; C116-A130 PolarHBondContact N-O 3.02Å; C116-A130 PolarHBondContact O-N 3.17Å |
| 131 | T | 98.4 | Very high | 92.9 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.362 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.2 | -175.1 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | A113 Y114 T115 I133 | A113-T131 HydrophobicContact CB-CG2 3.82Å; Y114-T131 CarbonylContact O-C 3.53Å; Y114-T131 WeakPolarHBondContact O-CA 3.26Å; T115-T131 PolarHBondContact OG1-OG1 3.18Å; T131-I133 HydrophobicContact CG2-CD1 4.34Å |
| 132 | I | 98.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | 173.9 | -55 | 177.3 | 0 | 0 | 0 | 108.3 | V24 V29 L39 W57 A113 Y114 V134 | V24-I132 HydrophobicContact CB-CD1 4.1Å; V24-I132 HydrophobicContact CB-CG1 3.85Å; V24-I132 HydrophobicContact CG1-CD1 3.87Å; V24-I132 HydrophobicContact CG1-CG1 3.77Å; V24-I132 HydrophobicContact CG2-CG1 4.1Å; V29-I132 HydrophobicContact CB-CG2 4.27Å; V29-I132 HydrophobicContact CG2-CG2 3.6Å; L39-I132 HydrophobicContact CB-CD1 4.1Å; W57-I132 HydrophobicContact CH2-CD1 3.89Å; W57-I132 HydrophobicContact CZ3-CD1 4.22Å; A113-I132 WeakPolarHBondContact CA-O 3.23Å; Y114-I132 PolarHBondContact N-O 3.35Å; Y114-I132 PolarHBondContact O-N 2.88Å; I132-V134 HydrophobicContact CG2-CG2 4.33Å |
| 133 | I | 98.4 | Very high | 94 | Very high | 60 Ų | 60 | 46 Ų | 46 | 31% | 0.308 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.9 | 172.7 | -54.7 | -56.1 | 0 | 0 | 0 | 109 | K27 F28 V29 A113 T131 | K27-I133 PolarHBondContact O-N 3.09Å; F28-I133 CarbonylContact C-O 3.59Å; F28-I133 VanDerWaalsContact CA-O 3.29Å; F28-I133 WeakPolarHBondContact CA-O 3.47Å; F28-I133 HydrophobicContact CD1-CB 3.74Å; F28-I133 HydrophobicContact CD1-CG1 4.25Å; F28-I133 HydrophobicContact CD1-CG2 4.09Å; F28-I133 HydrophobicContact CE1-CB 4.03Å; F28-I133 HydrophobicContact CE1-CG1 4.06Å; F28-I133 HydrophobicContact CE1-CG2 4.31Å; V29-I133 PolarHBondContact N-O 2.93Å; A113-I133 HydrophobicContact CB-CD1 3.69Å; T131-I133 HydrophobicContact CG2-CD1 4.34Å |
| 134 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | V29 L39 M106 A111 G112 Y114 I132 I136 | V29-V134 CarbonylContact O-C 3.5Å; V29-V134 WeakPolarHBondContact O-CA 3.47Å; L39-V134 HydrophobicContact CD2-CG2 3.58Å; M106-V134 HydrophobicContact CE-CG1 3.82Å; A111-V134 WeakPolarHBondContact CA-O 3.35Å; G112-V134 PolarHBondContact N-O 2.89Å; G112-V134 PolarHBondContact O-N 2.81Å; Y114-V134 HydrophobicContact CD2-CB 3.97Å; Y114-V134 HydrophobicContact CD2-CG2 3.45Å; Y114-V134 VanDerWaalsContact CD2-CG2 3.45Å; Y114-V134 HydrophobicContact CE2-CB 3.86Å; Y114-V134 HydrophobicContact CE2-CG1 4.48Å; Y114-V134 HydrophobicContact CE2-CG2 3.72Å; Y114-V134 HydrophobicContact CG-CG2 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.33Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å |
| 135 | N | 97.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.1 | 169.8 | -57.9 | -69.9 | 0 | 0 | 0 | 109.7 | V29 N30 V31 L137 | V29-N135 PolarHBondContact O-N 3.04Å; N30-N135 WeakPolarHBondContact CA-O 3.31Å; N30-N135 WeakPolarHBondContact OD1-CB 3.32Å; N30-N135 PolarHBondContact OD1-ND2 3.15Å; V31-N135 PolarHBondContact N-O 3.13Å; N135-L137 HydrophobicContact CB-CD2 4.47Å |
| 136 | I | 97.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.3 | 173 | -55.7 | -59.4 | 0 | 0 | 0 | 108.8 | V31 N33 M106 Q107 V108 A111 V134 S167 | V31-I136 HydrophobicContact CB-CD1 4.17Å; V31-I136 CarbonylContact O-C 3.48Å; V31-I136 WeakPolarHBondContact O-CA 3.42Å; N33-I136 HydrophobicContact CB-CG2 3.92Å; M106-I136 HydrophobicContact CB-CD1 3.83Å; M106-I136 HydrophobicContact CE-CD1 3.84Å; Q107-I136 WeakPolarHBondContact O-CG1 2.98Å; V108-I136 HydrophobicContact CG2-CG2 4.2Å; A111-I136 HydrophobicContact CB-CB 4.33Å; A111-I136 HydrophobicContact CB-CG1 3.95Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å; I136-S167 VanDerWaalsContact O-CB 3.29Å; I136-S167 WeakPolarHBondContact O-CB 3.36Å; I136-S167 PolarHBondContact O-OG 3.06Å |
| 137 | L | 97.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 18% | 0.183 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.4 | 180 | -47.9 | -172.3 | 0 | 0 | 0 | 109.2 | N30 V31 T32 N33 N135 S167 V218 | N30-L137 HydrophobicContact CB-CD1 4.09Å; N30-L137 HydrophobicContact CB-CG 4.35Å; V31-L137 PolarHBondContact O-N 2.89Å; T32-L137 CarbonylContact C-O 3.58Å; T32-L137 WeakPolarHBondContact CA-O 3.44Å; N33-L137 PolarHBondContact N-O 3.44Å; N135-L137 HydrophobicContact CB-CD2 4.47Å; L137-S167 CarbonylContact C-O 3.44Å; L137-S167 VanDerWaalsContact CA-O 3.25Å; L137-S167 WeakPolarHBondContact CA-O 3.29Å; L137-V218 HydrophobicContact CB-CG2 3.58Å; L137-V218 HydrophobicContact CD1-CG2 4.45Å |
| 138 | E | 97.2 | Very high | 97 | Very high | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -144.8 | 144.9 | 175.4 | 56.2 | 170.7 | -166.9 | 0 | 0 | 110.1 | N33 V108 R165 G166 S167 N216 | N33-E138 HydrophobicContact CB-CB 4.11Å; V108-E138 WeakPolarHBondContact CG2-OE2 3.42Å; E138-R165 WeakPolarHBondContact OE1-CB 2.93Å; E138-G166 PolarHBondContact OE1-N 3.46Å; E138-S167 PolarHBondContact N-O 3.19Å; E138-S167 PolarHBondContact O-N 3.47Å; E138-S167 VanDerWaalsContact O-O 3.07Å; E138-N216 PolarHBondContact O-ND2 3.36Å |
| 139 | R | 97.3 | Very high | 96.5 | Very high | 148 Ų | 148 | 48.3 Ų | 48.3 | 56% | 0.558 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 155.7 | 173.9 | 77.6 | -175 | -60.6 | 145.7 | -0.5 | 110.3 | S141 V218 S220 | R139-S141 PolarHBondContact O-N 3.5Å; R139-V218 HydrophobicContact CB-CB 4.39Å; R139-V218 HydrophobicContact CB-CG1 4.22Å; R139-S220 PolarHBondContact NH2-O 3.03Å |
| 140 | P | 98.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 138 | 172.3 | -19.7 | 32.1 | 0 | 0 | 0 | 110.6 | R165 P170 A214 N216 G219 A221 | P140-R165 VanDerWaalsContact CA-O 3.32Å; P140-R165 WeakPolarHBondContact CA-O 3.32Å; P140-P170 HydrophobicContact CB-CB 4.19Å; P140-P170 HydrophobicContact CB-CG 3.82Å; P140-P170 HydrophobicContact CG-CB 3.96Å; P140-P170 HydrophobicContact CG-CG 3.85Å; P140-A214 HydrophobicContact CB-CB 3.9Å; P140-A214 HydrophobicContact CG-CB 4.4Å; P140-N216 HydrophobicContact CG-CB 4.47Å; P140-G219 WeakPolarHBondContact CD-O 3.44Å; P140-A221 HydrophobicContact CB-CB 4.47Å; P140-A221 WeakPolarHBondContact O-CB 3.31Å |
| 141 | S | 97.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.119 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 160.5 | 166.2 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | R139 P143 S163 E164 R165 A221 | R139-S141 PolarHBondContact O-N 3.5Å; S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.22Å; S141-S163 PolarHBondContact O-OG 3.32Å; S141-E164 PolarHBondContact OG-N 2.91Å; S141-E164 VanDerWaalsContact OG-N 3.17Å; S141-R165 PolarHBondContact N-O 3.04Å; S141-R165 PolarHBondContact OG-N 3Å; S141-A221 WeakPolarHBondContact O-CB 3.3Å |
| 142 | V | 98.1 | Very high | 92.9 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 70% | 0.703 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 119.1 | 167.8 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 143 | P | 97.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 153.2 | -177.6 | 22.3 | -26.1 | 0 | 0 | 0 | 111.3 | S141 H162 A214 C223 | S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-H162 CarbonylContact C-O 3.42Å; P143-H162 VanDerWaalsContact CA-O 3.22Å; P143-H162 WeakPolarHBondContact CA-O 3.42Å; P143-A214 HydrophobicContact CB-CB 4.43Å; P143-A214 HydrophobicContact CG-CB 4.18Å; P143-C223 HydrophobicContact CG-CB 4.03Å; P143-C223 VanDerWaalsContact CG-SG 3.57Å; P143-C223 VanDerWaalsContact O-CB 3.23Å; P143-C223 WeakPolarHBondContact O-CB 3.1Å; P143-C223 PolarHBondContact O-SG 3.2Å |
| 144 | F | 97.6 | Very high | 89.7 | Confident | 145 Ų | 145 | 52.8 Ų | 52.8 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.7 | 166 | 178.6 | -104.1 | 0 | 0 | 0 | 109.1 | A146 C161 H162 | F144-A146 HydrophobicContact CD1-CB 4.4Å; F144-A146 HydrophobicContact CE1-CB 3.62Å; F144-A146 HydrophobicContact CZ-CB 4.06Å; F144-C161 VanDerWaalsContact O-CA 3.31Å; F144-C161 WeakPolarHBondContact O-CA 3.11Å; F144-H162 PolarHBondContact N-O 2.89Å; F144-H162 PolarHBondContact O-N 2.97Å |
| 145 | C | 97.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138.9 | 174.1 | -78.2 | 0 | 0 | 0 | 0 | 110.1 | T160 C223 V225 | C145-T160 VanDerWaalsContact CA-O 3.26Å; C145-T160 WeakPolarHBondContact CA-O 3.5Å; C145-C223 HydrophobicContact CB-CB 3.85Å; C145-C223 WeakPolarHBondContact CB-SG 3.47Å; C145-C223 PolarHBondContact N-SG 2.86Å; C145-C223 VanDerWaalsContact N-SG 3.37Å; C145-C223 VanDerWaalsContact SG-C 3.56Å; C145-C223 WeakPolarHBondContact SG-CB 3.43Å; C145-C223 CovalentContact SG-SG 2.03Å; C145-C223 PolarHBondContact SG-SG 2.99Å; C145-V225 HydrophobicContact CB-CB 3.83Å; C145-V225 HydrophobicContact CB-CG1 4.03Å |
| 146 | A | 95 | Very high | 88 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F144 H148 L159 T160 | F144-A146 HydrophobicContact CD1-CB 4.4Å; F144-A146 HydrophobicContact CE1-CB 3.62Å; F144-A146 HydrophobicContact CZ-CB 4.06Å; A146-H148 VanDerWaalsContact CB-NE2 3.28Å; A146-H148 WeakPolarHBondContact CB-NE2 3.5Å; A146-L159 CarbonylContact O-C 3.53Å; A146-L159 WeakPolarHBondContact O-CA 3.4Å; A146-T160 PolarHBondContact N-O 3.44Å; A146-T160 VanDerWaalsContact N-O 3.07Å; A146-T160 PolarHBondContact O-N 3.37Å; A146-T160 PolarHBondContact O-OG1 2.81Å |
| 147 | V | 93.4 | Very high | 87.7 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.1 | 170.9 | -167.4 | 0 | 0 | 0 | 0 | 109.6 | V151 V157 L159 V225 L227 | V147-V151 HydrophobicContact CG1-CG2 4.49Å; V147-V157 HydrophobicContact CG1-CG1 3.87Å; V147-L159 HydrophobicContact CB-CD2 4.07Å; V147-L159 HydrophobicContact CG1-CD2 3.98Å; V147-L159 HydrophobicContact CG2-CD2 3.7Å; V147-V225 HydrophobicContact CG2-CG2 3.56Å; V147-L227 HydrophobicContact CG1-CD1 3.91Å |
| 148 | H | 90.7 | Very high | 87.5 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.5 | 173.8 | -55.8 | -89.6 | 0 | 0 | 0 | 111.4 | A146 V157 T158 T160 | A146-H148 VanDerWaalsContact CB-NE2 3.28Å; A146-H148 WeakPolarHBondContact CB-NE2 3.5Å; H148-V157 WeakPolarHBondContact O-CA 3.44Å; H148-T158 PolarHBondContact N-O 3.23Å; H148-T158 PolarHBondContact O-N 2.8Å; H148-T160 PolarHBondContact CD2-OG1 2.88Å; H148-T160 VanDerWaalsContact CD2-OG1 3.27Å; H148-T160 WeakPolarHBondContact NE2-CB 3.48Å; H148-T160 VanDerWaalsContact NE2-CG2 3.35Å; H148-T160 WeakPolarHBondContact NE2-CG2 3.45Å; H148-T160 PolarHBondContact NE2-OG1 2.95Å |
| 149 | G | 83.9 | Confident | 87.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 103.7 | 166.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 150 | D | 74.3 | Confident | 87.5 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | trans | -90 | 106.5 | 177.4 | 177.5 | -10.2 | 0 | 0 | 0 | 109.3 | E152 S153 G154 | D150-E152 VanDerWaalsContact C-N 3.34Å; D150-E152 WeakPolarHBondContact OD1-CA 3.39Å; D150-E152 WeakPolarHBondContact OD1-CB 3.45Å; D150-E152 PolarHBondContact OD1-N 3.05Å; D150-S153 PolarHBondContact O-N 2.88Å; D150-S153 PolarHBondContact O-OG 3.49Å; D150-S153 PolarHBondContact OD1-N 2.9Å; D150-S153 WeakPolarHBondContact OD2-CB 3.14Å; D150-G154 PolarHBondContact O-N 2.94Å | ||
| 151 | V | 75.3 | Confident | 87.5 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -32.3 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | V147 G154 V157 F207 L227 | V147-V151 HydrophobicContact CG1-CG2 4.49Å; V151-G154 PolarHBondContact O-N 2.02Å; V151-V157 HydrophobicContact CG2-CG1 4.47Å; V151-V157 HydrophobicContact CG2-CG2 4.05Å; V151-F207 HydrophobicContact CG1-CE1 3.5Å; V151-F207 VanDerWaalsContact CG1-CE1 3.5Å; V151-F207 HydrophobicContact CG1-CZ 3.75Å; V151-L227 HydrophobicContact CG2-CD1 4.36Å |
| 152 | E | 68 | Low | 87.4 | Confident | 152 Ų | 152 | 59 Ų | 59 | 71% | 0.71 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -37.2 | 176.8 | -59.8 | -167.2 | 154.6 | 0 | 0 | 111.3 | D150 G154 | D150-E152 VanDerWaalsContact C-N 3.34Å; D150-E152 WeakPolarHBondContact OD1-CA 3.39Å; D150-E152 WeakPolarHBondContact OD1-CB 3.45Å; D150-E152 PolarHBondContact OD1-N 3.05Å; E152-G154 PolarHBondContact O-N 3.07Å |
| 153 | S | 64.8 | Low | 87.4 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.4 | 175.8 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | D150 H155 | D150-S153 PolarHBondContact O-N 2.88Å; D150-S153 PolarHBondContact O-OG 3.49Å; D150-S153 PolarHBondContact OD1-N 2.9Å; D150-S153 WeakPolarHBondContact OD2-CB 3.14Å; S153-H155 PolarHBondContact O-N 2.81Å; S153-H155 VanDerWaalsContact O-N 3.08Å; S153-H155 PolarHBondContact O-ND1 3.21Å; S153-H155 PolarHBondContact OG-N 2.91Å |
| 154 | G | 64.8 | Low | 87.4 | Confident | 9 Ų | 9 | 61 Ų | 61 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | trans | 73.6 | -17.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | D150 V151 E152 N201 I202 | D150-G154 PolarHBondContact O-N 2.94Å; V151-G154 PolarHBondContact O-N 2.02Å; E152-G154 PolarHBondContact O-N 3.07Å; G154-N201 CarbonylContact O-C 3.58Å; G154-N201 WeakPolarHBondContact O-CA 3.23Å; G154-N201 PolarHBondContact O-N 3.03Å; G154-I202 PolarHBondContact O-N 3.37Å | ||
| 155 | H | 75.2 | Confident | 87.3 | Confident | 149 Ų | 149 | 60.5 Ų | 60.5 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68.2 | -52 | -157.7 | -80.2 | 64.8 | 0 | 0 | 0 | 114.7 | S153 N201 | S153-H155 PolarHBondContact O-N 2.81Å; S153-H155 VanDerWaalsContact O-N 3.08Å; S153-H155 PolarHBondContact O-ND1 3.21Å; S153-H155 PolarHBondContact OG-N 2.91Å; H155-N201 PolarHBondContact O-N 2.82Å; H155-N201 VanDerWaalsContact O-N 3.13Å |
| 156 | L | 85.9 | Confident | 87.2 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 117.2 | 178.9 | 176.5 | 63.4 | 0 | 0 | 0 | 109.7 | F199 R200 | L156-F199 WeakPolarHBondContact CA-O 3.49Å; L156-R200 HydrophobicContact CD1-CG 4.39Å |
| 157 | V | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.1 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | V147 H148 V151 F199 I202 L227 | V147-V157 HydrophobicContact CG1-CG1 3.87Å; H148-V157 WeakPolarHBondContact O-CA 3.44Å; V151-V157 HydrophobicContact CG2-CG1 4.47Å; V151-V157 HydrophobicContact CG2-CG2 4.05Å; V157-F199 PolarHBondContact N-O 2.84Å; V157-F199 PolarHBondContact O-N 3.17Å; V157-I202 HydrophobicContact CB-CD1 4.27Å; V157-I202 HydrophobicContact CG1-CD1 4.5Å; V157-I202 HydrophobicContact CG2-CB 4.39Å; V157-I202 HydrophobicContact CG2-CD1 4.15Å; V157-I202 HydrophobicContact CG2-CG2 3.79Å; V157-L227 HydrophobicContact CG1-CD1 3.91Å |
| 158 | T | 93.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121 | 179.8 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | H148 T160 L197 Y198 | H148-T158 PolarHBondContact N-O 3.23Å; H148-T158 PolarHBondContact O-N 2.8Å; T158-T160 HydrophobicContact CG2-CG2 4.14Å; T158-L197 WeakPolarHBondContact CA-O 3.45Å; T158-Y198 HydrophobicContact CG2-CD1 3.62Å; T158-Y198 HydrophobicContact CG2-CE1 3.48Å; T158-Y198 VanDerWaalsContact CG2-CE1 3.48Å; T158-Y198 WeakPolarHBondContact OG1-CD1 3.25Å |
| 159 | L | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134.6 | 162.2 | -54.4 | -176.9 | 0 | 0 | 0 | 108.2 | A146 V147 W174 S196 L197 F199 Y210 V225 L227 | A146-L159 CarbonylContact O-C 3.53Å; A146-L159 WeakPolarHBondContact O-CA 3.4Å; V147-L159 HydrophobicContact CB-CD2 4.07Å; V147-L159 HydrophobicContact CG1-CD2 3.98Å; V147-L159 HydrophobicContact CG2-CD2 3.7Å; L159-W174 HydrophobicContact CB-CH2 3.69Å; L159-W174 HydrophobicContact CB-CZ2 3.82Å; L159-W174 HydrophobicContact CB-CZ3 4.28Å; L159-W174 HydrophobicContact CD1-CH2 4.41Å; L159-W174 HydrophobicContact CD1-CZ3 4.19Å; L159-S196 CarbonylContact O-C 3.54Å; L159-S196 VanDerWaalsContact O-CA 3.29Å; L159-S196 WeakPolarHBondContact O-CA 3.43Å; L159-L197 HydrophobicContact CB-CB 4.3Å; L159-L197 HydrophobicContact CD1-CD2 4.32Å; L159-L197 PolarHBondContact N-O 2.86Å; L159-L197 PolarHBondContact O-N 2.83Å; L159-F199 HydrophobicContact CD1-CE2 4.12Å; L159-F199 HydrophobicContact CG-CE2 4.23Å; L159-Y210 HydrophobicContact CD1-CD1 3.98Å; L159-Y210 HydrophobicContact CD1-CD2 3.71Å; L159-Y210 HydrophobicContact CD1-CE2 4.39Å; L159-Y210 HydrophobicContact CD1-CG 3.47Å; L159-Y210 VanDerWaalsContact CD1-CG 3.47Å; L159-V225 HydrophobicContact CD1-CG1 4.17Å; L159-V225 HydrophobicContact CD2-CG1 4.26Å; L159-L227 HydrophobicContact CD1-CD2 4.34Å; L159-L227 HydrophobicContact CD2-CB 4.46Å; L159-L227 HydrophobicContact CD2-CD2 4.31Å; L159-L227 HydrophobicContact CG-CD2 4.48Å |
| 160 | T | 97.3 | Very high | 88.2 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 151.1 | 175.7 | 52.6 | 0 | 0 | 0 | 0 | 110 | C145 A146 H148 T158 | C145-T160 VanDerWaalsContact CA-O 3.26Å; C145-T160 WeakPolarHBondContact CA-O 3.5Å; A146-T160 PolarHBondContact N-O 3.44Å; A146-T160 VanDerWaalsContact N-O 3.07Å; A146-T160 PolarHBondContact O-N 3.37Å; A146-T160 PolarHBondContact O-OG1 2.81Å; H148-T160 PolarHBondContact CD2-OG1 2.88Å; H148-T160 VanDerWaalsContact CD2-OG1 3.27Å; H148-T160 WeakPolarHBondContact NE2-CB 3.48Å; H148-T160 VanDerWaalsContact NE2-CG2 3.35Å; H148-T160 WeakPolarHBondContact NE2-CG2 3.45Å; H148-T160 PolarHBondContact NE2-OG1 2.95Å; T158-T160 HydrophobicContact CG2-CG2 4.14Å |
| 161 | C | 97.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 121.8 | 177.8 | 174 | 0 | 0 | 0 | 0 | 109.1 | F144 Y172 W174 G195 C212 | F144-C161 VanDerWaalsContact O-CA 3.31Å; F144-C161 WeakPolarHBondContact O-CA 3.11Å; C161-Y172 HydrophobicContact CB-CD1 4.32Å; C161-Y172 WeakPolarHBondContact O-CE1 3.43Å; C161-Y172 VanDerWaalsContact SG-CD1 3.59Å; C161-W174 HydrophobicContact CB-CH2 4.06Å; C161-W174 HydrophobicContact CB-CZ2 3.44Å; C161-W174 VanDerWaalsContact CB-CZ2 3.44Å; C161-G195 WeakPolarHBondContact CB-O 3.49Å; C161-G195 PolarHBondContact N-O 2.85Å; C161-G195 VanDerWaalsContact N-O 3.07Å; C161-C212 HydrophobicContact CB-CB 3.56Å; C161-C212 WeakPolarHBondContact CB-SG 3.46Å; C161-C212 WeakPolarHBondContact SG-CB 3.35Å; C161-C212 CovalentContact SG-SG 2.02Å; C161-C212 PolarHBondContact SG-SG 2.83Å |
| 162 | H | 97.3 | Very high | 90.4 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 129.8 | -175.1 | 179.9 | 64.8 | 0 | 0 | 0 | 112.6 | P143 F144 | P143-H162 CarbonylContact C-O 3.42Å; P143-H162 VanDerWaalsContact CA-O 3.22Å; P143-H162 WeakPolarHBondContact CA-O 3.42Å; F144-H162 PolarHBondContact N-O 2.89Å; F144-H162 PolarHBondContact O-N 2.97Å |
| 163 | S | 97.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -100 | 124 | 169.3 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | S141 R165 Y172 A214 | S141-S163 PolarHBondContact O-OG 3.32Å; S163-R165 VanDerWaalsContact C-N 3.26Å; S163-R165 PolarHBondContact O-N 2.81Å; S163-Y172 PolarHBondContact N-OH 3.4Å; S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.29Å | ||
| 164 | E | 96.1 | Very high | 93.5 | Very high | 159 Ų | 159 | 54.4 Ų | 54.4 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -62.9 | -29.7 | 175.5 | -60.8 | -177.9 | 155 | 0 | 0 | 113.6 | S141 | S141-E164 PolarHBondContact OG-N 2.91Å; S141-E164 VanDerWaalsContact OG-N 3.17Å |
| 165 | R | 95.5 | Very high | 95 | Very high | 135 Ų | 135 | 56.5 Ų | 56.5 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | trans | -127.2 | 157.2 | -177.7 | -70.2 | -165.5 | -54.1 | -69.8 | 2.8 | 111.5 | E138 P140 S141 S163 | E138-R165 WeakPolarHBondContact OE1-CB 2.93Å; P140-R165 VanDerWaalsContact CA-O 3.32Å; P140-R165 WeakPolarHBondContact CA-O 3.32Å; S141-R165 PolarHBondContact N-O 3.04Å; S141-R165 PolarHBondContact OG-N 3Å; S163-R165 VanDerWaalsContact C-N 3.26Å; S163-R165 PolarHBondContact O-N 2.81Å | ||
| 166 | G | 95.8 | Very high | 96 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | trans | 144.7 | 116.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E138 P168 | E138-G166 PolarHBondContact OE1-N 3.46Å; G166-P168 CarbonylContact C-O 3.55Å; G166-P168 CarbonylContact O-C 3.58Å | ||
| 167 | S | 95.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -133.9 | 118.6 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | I136 L137 E138 N216 | I136-S167 VanDerWaalsContact O-CB 3.29Å; I136-S167 WeakPolarHBondContact O-CB 3.36Å; I136-S167 PolarHBondContact O-OG 3.06Å; L137-S167 CarbonylContact C-O 3.44Å; L137-S167 VanDerWaalsContact CA-O 3.25Å; L137-S167 WeakPolarHBondContact CA-O 3.29Å; E138-S167 PolarHBondContact N-O 3.19Å; E138-S167 PolarHBondContact O-N 3.47Å; E138-S167 VanDerWaalsContact O-O 3.07Å; S167-N216 PolarHBondContact N-ND2 2.93Å; S167-N216 PolarHBondContact O-ND2 2.98Å |
| 168 | P | 95.7 | Very high | 96.2 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 41% | 0.409 | 27% | 0.268 | S | S | . | . | S | Bend | cis | -63.3 | 165 | -0.9 | -19.4 | 33.9 | 0 | 0 | 0 | 113.1 | G166 N216 | G166-P168 CarbonylContact C-O 3.55Å; G166-P168 CarbonylContact O-C 3.58Å; P168-N216 WeakPolarHBondContact O-CB 3.48Å; P168-N216 PolarHBondContact O-ND2 2.57Å |
| 169 | T | 95.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 126.9 | 178.6 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 170 | P | 98 | Very high | 95.4 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.7 | -178.2 | -20.5 | 32.6 | 0 | 0 | 0 | 112.9 | P140 Y172 A214 S215 | P140-P170 HydrophobicContact CB-CB 4.19Å; P140-P170 HydrophobicContact CB-CG 3.82Å; P140-P170 HydrophobicContact CG-CB 3.96Å; P140-P170 HydrophobicContact CG-CG 3.85Å; P170-Y172 HydrophobicContact CB-CE2 4.48Å; P170-A214 HydrophobicContact CB-CB 4.24Å; P170-S215 CarbonylContact C-O 3.54Å; P170-S215 VanDerWaalsContact CA-O 3.28Å; P170-S215 WeakPolarHBondContact CA-O 3.39Å |
| 171 | T | 98.3 | Very high | 95 | Very high | 76 Ų | 76 | 71.3 Ų | 71.3 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 156.1 | 159.4 | 59 | 0 | 0 | 0 | 0 | 109.9 | P192 A214 S215 | T171-P192 CarbonylContact C-O 3.56Å; T171-P192 WeakPolarHBondContact CA-O 3.26Å; T171-A214 CarbonylContact O-C 3.53Å; T171-A214 WeakPolarHBondContact O-CA 3.43Å; T171-S215 PolarHBondContact N-O 2.84Å; T171-S215 PolarHBondContact O-N 3.28Å |
| 172 | Y | 98.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 4% | 0.043 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.4 | -171.1 | -61 | -89.4 | 0 | 0 | 0 | 111.2 | C161 S163 P170 P192 G195 S213 A214 | C161-Y172 HydrophobicContact CB-CD1 4.32Å; C161-Y172 WeakPolarHBondContact O-CE1 3.43Å; C161-Y172 VanDerWaalsContact SG-CD1 3.59Å; S163-Y172 PolarHBondContact N-OH 3.4Å; P170-Y172 HydrophobicContact CB-CE2 4.48Å; Y172-P192 PolarHBondContact N-O 3.01Å; Y172-P192 VanDerWaalsContact O-CA 3.25Å; Y172-P192 WeakPolarHBondContact O-CA 3.26Å; Y172-P192 VanDerWaalsContact O-CB 3.26Å; Y172-P192 WeakPolarHBondContact O-CB 3.25Å; Y172-G195 VanDerWaalsContact CB-CA 3.48Å; Y172-S213 WeakPolarHBondContact CA-O 3.42Å; Y172-A214 HydrophobicContact CD1-CB 3.74Å; Y172-A214 HydrophobicContact CE1-CB 3.54Å |
| 173 | T | 98.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.2 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | C212 S213 | T173-C212 CarbonylContact O-C 3.53Å; T173-C212 WeakPolarHBondContact O-CA 3.43Å; T173-S213 PolarHBondContact N-O 2.77Å; T173-S213 PolarHBondContact O-N 2.93Å |
| 174 | W | 98.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 78.1 Ų | 78.1 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.5 | 179.7 | -75.6 | 97.7 | 0 | 0 | 0 | 110.7 | L159 C161 V186 G195 L197 C211 C212 V225 | L159-W174 HydrophobicContact CB-CH2 3.69Å; L159-W174 HydrophobicContact CB-CZ2 3.82Å; L159-W174 HydrophobicContact CB-CZ3 4.28Å; L159-W174 HydrophobicContact CD1-CH2 4.41Å; L159-W174 HydrophobicContact CD1-CZ3 4.19Å; C161-W174 HydrophobicContact CB-CH2 4.06Å; C161-W174 HydrophobicContact CB-CZ2 3.44Å; C161-W174 VanDerWaalsContact CB-CZ2 3.44Å; W174-V186 HydrophobicContact CB-CG1 3.98Å; W174-V186 HydrophobicContact CB-CG2 4.25Å; W174-G195 PolarHBondContact NE1-O 2.82Å; W174-L197 HydrophobicContact CB-CD2 3.88Å; W174-L197 HydrophobicContact CD2-CB 4.14Å; W174-L197 HydrophobicContact CD2-CD2 4.12Å; W174-L197 HydrophobicContact CE3-CD2 4.42Å; W174-L197 HydrophobicContact CG-CB 3.97Å; W174-L197 HydrophobicContact CG-CD2 3.93Å; W174-C211 WeakPolarHBondContact CA-O 3.3Å; W174-C212 HydrophobicContact CD2-CB 3.93Å; W174-C212 HydrophobicContact CE3-CB 3.79Å; W174-C212 HydrophobicContact CH2-CB 3.85Å; W174-C212 HydrophobicContact CZ2-CB 3.99Å; W174-C212 HydrophobicContact CZ3-CB 3.74Å; W174-V225 HydrophobicContact CH2-CG1 4Å; W174-V225 HydrophobicContact CZ3-CG1 3.92Å |
| 175 | I | 97.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.4 | 169.6 | 60.1 | 176.3 | 0 | 0 | 0 | 109.1 | K183 C211 | I175-K183 HydrophobicContact CD1-CB 4.13Å; I175-K183 HydrophobicContact CD1-CD 3.63Å; I175-K183 HydrophobicContact CD1-CG 3.84Å; I175-C211 HydrophobicContact CD1-CB 4.17Å; I175-C211 HydrophobicContact CG1-CB 3.76Å; I175-C211 PolarHBondContact N-O 2.94Å; I175-C211 PolarHBondContact O-N 2.94Å |
| 176 | R | 96.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 142.4 | 164.5 | 179 | -175.4 | -171.1 | 141.1 | 15.8 | 108.4 | D178 K183 T184 F205 F207 Y210 | R176-D178 WeakPolarHBondContact CD-OD1 3.38Å; R176-D178 IonicContact CZ-OD1 2.71Å; R176-D178 IonicContact NE-OD1 3.59Å; R176-D178 PolarHBondContact NE-OD1 2.97Å; R176-K183 WeakPolarHBondContact O-CA 3.48Å; R176-T184 WeakPolarHBondContact CB-OG1 3.38Å; R176-T184 PolarHBondContact N-O 3.43Å; R176-T184 PolarHBondContact O-N 3.25Å; R176-F205 VanDerWaalsContact CZ-O 3.31Å; R176-F205 PolarHBondContact NH1-O 3.04Å; R176-F205 PolarHBondContact NH2-O 3.26Å; R176-F207 PolarHBondContact NH2-O 2.89Å; R176-Y210 HydrophobicContact CB-CD1 4.44Å; R176-Y210 HydrophobicContact CB-CE1 4.15Å |
| 177 | V | 94.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111.4 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | E209 C211 | V177-E209 HydrophobicContact CB-CB 4.21Å; V177-E209 HydrophobicContact CB-CG 4.27Å; V177-E209 PolarHBondContact N-O 3.16Å; V177-C211 HydrophobicContact CG2-CB 3.71Å |
| 178 | D | 87.4 | Confident | 93.7 | Very high | 45 Ų | 45 | 74.3 Ų | 74.3 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | trans | -82.5 | 166.3 | 178.2 | -65.9 | -58.9 | 0 | 0 | 0 | 110.5 | R176 D180 K181 T182 T184 | R176-D178 WeakPolarHBondContact CD-OD1 3.38Å; R176-D178 IonicContact CZ-OD1 2.71Å; R176-D178 IonicContact NE-OD1 3.59Å; R176-D178 PolarHBondContact NE-OD1 2.97Å; D178-D180 PolarHBondContact O-N 2.75Å; D178-D180 VanDerWaalsContact O-N 3.1Å; D178-K181 VanDerWaalsContact O-CA 3.3Å; D178-K181 WeakPolarHBondContact O-CA 3.35Å; D178-K181 PolarHBondContact O-N 2.71Å; D178-T182 PolarHBondContact N-O 3.35Å; D178-T184 WeakPolarHBondContact OD2-CG2 3.34Å; D178-T184 PolarHBondContact OD2-OG1 3.37Å | ||
| 179 | Q | 83.9 | Confident | 93.6 | Very high | 208 Ų | 208 | 76.1 Ų | 76.1 | 97% | 0.972 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.6 | -169.8 | -67.1 | -178.9 | -7 | 0 | 0 | 114.3 | K181 | Q179-K181 PolarHBondContact O-N 2.81Š|
| 180 | D | 89 | Confident | 93.6 | Very high | 114 Ų | 114 | 73.6 Ų | 73.6 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7.6 | 174.2 | 65.6 | -5.6 | 0 | 0 | 0 | 113.3 | D178 T182 | D178-D180 PolarHBondContact O-N 2.75Å; D178-D180 VanDerWaalsContact O-N 3.1Å; D180-T182 PolarHBondContact O-N 3.34Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 3.27Å; D180-T182 VanDerWaalsContact OD2-CG2 3.29Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.28Å |
| 181 | K | 88.1 | Confident | 93.6 | Very high | 175 Ų | 175 | 75.6 Ų | 75.6 | 76% | 0.761 | 40% | 0.399 | S | S | * | . | trans | 64.6 | 15.6 | -173.1 | -52.2 | -179.4 | -179.9 | -178.9 | 0 | 114.4 | D178 Q179 | D178-K181 VanDerWaalsContact O-CA 3.3Å; D178-K181 WeakPolarHBondContact O-CA 3.35Å; D178-K181 PolarHBondContact O-N 2.71Å; Q179-K181 PolarHBondContact O-N 2.81Å | ||
| 182 | T | 91.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | trans | -65.5 | 146.3 | 167.8 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | D178 D180 | D178-T182 PolarHBondContact N-O 3.35Å; D180-T182 PolarHBondContact O-N 3.34Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 3.27Å; D180-T182 VanDerWaalsContact OD2-CG2 3.29Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.28Å | ||
| 183 | K | 94.1 | Very high | 93.4 | Very high | 153 Ų | 153 | 79.9 Ų | 79.9 | 67% | 0.665 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108 | -174.8 | -69.5 | -179.9 | 170.6 | -173.5 | 0 | 108.4 | I175 R176 | I175-K183 HydrophobicContact CD1-CB 4.13Å; I175-K183 HydrophobicContact CD1-CD 3.63Å; I175-K183 HydrophobicContact CD1-CG 3.84Å; R176-K183 WeakPolarHBondContact O-CA 3.48Å |
| 184 | T | 93.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 80.4 Ų | 80.4 | 29% | 0.288 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151 | -176 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | R176 D178 | R176-T184 WeakPolarHBondContact CB-OG1 3.38Å; R176-T184 PolarHBondContact N-O 3.43Å; R176-T184 PolarHBondContact O-N 3.25Å; D178-T184 WeakPolarHBondContact OD2-CG2 3.34Å; D178-T184 PolarHBondContact OD2-OG1 3.37Å |
| 185 | P | 94.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 79.6 Ų | 79.6 | 74% | 0.74 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 142.7 | 173.9 | -22.3 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 186 | V | 94.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 77.7 Ų | 77.7 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | trans | -71.8 | 140.4 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | W174 P190 L197 Y210 | W174-V186 HydrophobicContact CB-CG1 3.98Å; W174-V186 HydrophobicContact CB-CG2 4.25Å; V186-P190 HydrophobicContact CG2-CG 4.4Å; V186-L197 HydrophobicContact CB-CD1 4.24Å; V186-L197 HydrophobicContact CB-CD2 3.85Å; V186-L197 HydrophobicContact CG1-CD2 3.73Å; V186-L197 HydrophobicContact CG2-CD1 3.79Å; V186-L197 HydrophobicContact CG2-CD2 4.02Å; V186-Y210 HydrophobicContact CB-CE1 4.44Å; V186-Y210 HydrophobicContact CG1-CD1 3.85Å; V186-Y210 HydrophobicContact CG1-CE1 3.83Å | ||
| 187 | M | 89.8 | Confident | 93.2 | Very high | 116 Ų | 116 | 75.7 Ų | 75.7 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -85.4 | -13.1 | 177.4 | -57.8 | -172 | -60.5 | 0 | 0 | 113.3 | F205 E206 | M187-F205 HydrophobicContact CE-CB 4.43Å; M187-E206 HydrophobicContact CE-CG 4.27Å; M187-E206 VanDerWaalsContact CE-OE1 3.26Å; M187-E206 WeakPolarHBondContact CE-OE1 3.35Å |
| 188 | G | 90.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 78.4 Ų | 78.4 | 12% | 0.124 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -79.6 | -174.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P190 L197 Y198 | G188-P190 VanDerWaalsContact O-CD 3.26Å; G188-P190 WeakPolarHBondContact O-CD 3.39Å; G188-L197 VanDerWaalsContact C-CD1 3.49Å; G188-Y198 WeakPolarHBondContact CA-O 3.45Å |
| 189 | N | 94.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 76.7 Ų | 76.7 | 54% | 0.54 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 104.1 | -180 | -58.2 | -97.2 | 0 | 0 | 0 | 109.6 | Y198 | N189-Y198 PolarHBondContact N-O 3.39Å; N189-Y198 PolarHBondContact ND2-O 3.4Å; N189-Y198 WeakPolarHBondContact O-CD2 3.34Å; N189-Y198 PolarHBondContact O-N 2.85Å |
| 190 | P | 96.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139.6 | 176.2 | 31.3 | -33.9 | 0 | 0 | 0 | 112.2 | V186 G188 S196 L197 | V186-P190 HydrophobicContact CG2-CG 4.4Å; G188-P190 VanDerWaalsContact O-CD 3.26Å; G188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-S196 CarbonylContact C-O 3.54Å; P190-S196 WeakPolarHBondContact CA-O 3.46Å; P190-L197 HydrophobicContact CB-CD1 4.2Å |
| 191 | D | 97.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.3 | 162.9 | -171.9 | -29.5 | 0 | 0 | 0 | 109.5 | N193 I194 G195 S196 Y198 | D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 WeakPolarHBondContact OD1-CB 3.01Å; D191-N193 PolarHBondContact OD1-N 3.27Å; D191-N193 PolarHBondContact OD1-ND2 2.81Å; D191-I194 HydrophobicContact CB-CD1 4.26Å; D191-I194 HydrophobicContact CB-CG1 3.79Å; D191-G195 PolarHBondContact O-N 2.81Å; D191-S196 PolarHBondContact N-O 2.8Å; D191-S196 PolarHBondContact O-N 2.87Å; D191-Y198 HydrophobicContact CB-CE2 4.37Å |
| 192 | P | 96.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8 | -175 | 31.9 | -36.8 | 0 | 0 | 0 | 114.3 | T171 Y172 | T171-P192 CarbonylContact C-O 3.56Å; T171-P192 WeakPolarHBondContact CA-O 3.26Å; Y172-P192 PolarHBondContact N-O 3.01Å; Y172-P192 VanDerWaalsContact O-CA 3.25Å; Y172-P192 WeakPolarHBondContact O-CA 3.26Å; Y172-P192 VanDerWaalsContact O-CB 3.26Å; Y172-P192 WeakPolarHBondContact O-CB 3.25Å |
| 193 | N | 95.6 | Very high | 92.8 | Very high | 115 Ų | 115 | 68.9 Ų | 68.9 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -34 | -178.4 | -52 | -77 | 0 | 0 | 0 | 112.2 | D191 | D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 WeakPolarHBondContact OD1-CB 3.01Å; D191-N193 PolarHBondContact OD1-N 3.27Å; D191-N193 PolarHBondContact OD1-ND2 2.81Å |
| 194 | I | 95.4 | Very high | 92.3 | Very high | 93 Ų | 93 | 68.2 Ų | 68.2 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -3.8 | -178.5 | 61.3 | 174.8 | 0 | 0 | 0 | 113.4 | D191 S196 Y198 | D191-I194 HydrophobicContact CB-CD1 4.26Å; D191-I194 HydrophobicContact CB-CG1 3.79Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 2.88Å; I194-Y198 WeakPolarHBondContact CD1-OH 3.37Å |
| 195 | G | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 17.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C161 Y172 W174 D191 | C161-G195 WeakPolarHBondContact CB-O 3.49Å; C161-G195 PolarHBondContact N-O 2.85Å; C161-G195 VanDerWaalsContact N-O 3.07Å; Y172-G195 VanDerWaalsContact CB-CA 3.48Å; W174-G195 PolarHBondContact NE1-O 2.82Å; D191-G195 PolarHBondContact O-N 2.81Å |
| 196 | S | 96.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 146.8 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | L159 P190 D191 I194 Y198 | L159-S196 CarbonylContact O-C 3.54Å; L159-S196 VanDerWaalsContact O-CA 3.29Å; L159-S196 WeakPolarHBondContact O-CA 3.43Å; P190-S196 CarbonylContact C-O 3.54Å; P190-S196 WeakPolarHBondContact CA-O 3.46Å; D191-S196 PolarHBondContact N-O 2.8Å; D191-S196 PolarHBondContact O-N 2.87Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 2.88Å; S196-Y198 VanDerWaalsContact CB-OH 3.23Å; S196-Y198 WeakPolarHBondContact CB-OH 3.48Å; S196-Y198 PolarHBondContact OG-OH 2.92Å |
| 197 | L | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.2 | 168.4 | 170.6 | 60 | 0 | 0 | 0 | 109.4 | T158 L159 W174 V186 G188 P190 F199 Y210 | T158-L197 WeakPolarHBondContact CA-O 3.45Å; L159-L197 HydrophobicContact CB-CB 4.3Å; L159-L197 HydrophobicContact CD1-CD2 4.32Å; L159-L197 PolarHBondContact N-O 2.86Å; L159-L197 PolarHBondContact O-N 2.83Å; W174-L197 HydrophobicContact CB-CD2 3.88Å; W174-L197 HydrophobicContact CD2-CB 4.14Å; W174-L197 HydrophobicContact CD2-CD2 4.12Å; W174-L197 HydrophobicContact CE3-CD2 4.42Å; W174-L197 HydrophobicContact CG-CB 3.97Å; W174-L197 HydrophobicContact CG-CD2 3.93Å; V186-L197 HydrophobicContact CB-CD1 4.24Å; V186-L197 HydrophobicContact CB-CD2 3.85Å; V186-L197 HydrophobicContact CG1-CD2 3.73Å; V186-L197 HydrophobicContact CG2-CD1 3.79Å; V186-L197 HydrophobicContact CG2-CD2 4.02Å; G188-L197 VanDerWaalsContact C-CD1 3.49Å; P190-L197 HydrophobicContact CB-CD1 4.2Å; L197-F199 HydrophobicContact CD1-CZ 4.37Å; L197-F199 HydrophobicContact CD2-CE2 3.94Å; L197-F199 HydrophobicContact CD2-CZ 3.77Å; L197-F199 HydrophobicContact CG-CE2 3.78Å; L197-F199 HydrophobicContact CG-CZ 3.89Å; L197-Y210 HydrophobicContact CD2-CD1 3.96Å; L197-Y210 HydrophobicContact CD2-CE1 4.16Å |
| 198 | Y | 93.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 29% | 0.286 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.5 | -171.9 | -54 | -79.5 | 0 | 0 | 0 | 112.7 | T158 G188 N189 D191 I194 S196 | T158-Y198 HydrophobicContact CG2-CD1 3.62Å; T158-Y198 HydrophobicContact CG2-CE1 3.48Å; T158-Y198 VanDerWaalsContact CG2-CE1 3.48Å; T158-Y198 WeakPolarHBondContact OG1-CD1 3.25Å; G188-Y198 WeakPolarHBondContact CA-O 3.45Å; N189-Y198 PolarHBondContact N-O 3.39Å; N189-Y198 PolarHBondContact ND2-O 3.4Å; N189-Y198 WeakPolarHBondContact O-CD2 3.34Å; N189-Y198 PolarHBondContact O-N 2.85Å; D191-Y198 HydrophobicContact CB-CE2 4.37Å; I194-Y198 WeakPolarHBondContact CD1-OH 3.37Å; S196-Y198 VanDerWaalsContact CB-OH 3.23Å; S196-Y198 WeakPolarHBondContact CB-OH 3.48Å; S196-Y198 PolarHBondContact OG-OH 2.92Å |
| 199 | F | 92.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.7 | 169.8 | -59.5 | -82.1 | 0 | 0 | 0 | 109.9 | L156 V157 L159 L197 I202 E206 Y210 L227 | L156-F199 WeakPolarHBondContact CA-O 3.49Å; V157-F199 PolarHBondContact N-O 2.84Å; V157-F199 PolarHBondContact O-N 3.17Å; L159-F199 HydrophobicContact CD1-CE2 4.12Å; L159-F199 HydrophobicContact CG-CE2 4.23Å; L197-F199 HydrophobicContact CD1-CZ 4.37Å; L197-F199 HydrophobicContact CD2-CE2 3.94Å; L197-F199 HydrophobicContact CD2-CZ 3.77Å; L197-F199 HydrophobicContact CG-CE2 3.78Å; L197-F199 HydrophobicContact CG-CZ 3.89Å; F199-I202 HydrophobicContact CB-CB 4.48Å; F199-E206 HydrophobicContact CD1-CB 4.29Å; F199-E206 HydrophobicContact CD1-CG 3.67Å; F199-E206 HydrophobicContact CE1-CB 4.37Å; F199-E206 HydrophobicContact CE1-CG 3.91Å; F199-E206 HydrophobicContact CG-CG 4.47Å; F199-Y210 HydrophobicContact CE2-CE1 4.46Å; F199-Y210 AromaticContact CZ-CE1 3.7Å; F199-Y210 HydrophobicContact CZ-CE1 3.7Å; F199-Y210 AromaticContact CZ-CZ 3.71Å; F199-L227 HydrophobicContact CD2-CD2 4.04Å; F199-L227 HydrophobicContact CE2-CD2 3.82Å; F199-L227 HydrophobicContact CZ-CD2 4.49Å |
| 200 | R | 87.3 | Confident | 91.8 | Very high | 202 Ų | 202 | 62.8 Ų | 62.8 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.5 | 174.7 | -64.5 | 176.7 | -177.8 | -98.1 | 0.2 | 108.2 | L156 | L156-R200 HydrophobicContact CD1-CG 4.39Å |
| 201 | N | 83.7 | Confident | 91.9 | Very high | 133 Ų | 133 | 60.2 Ų | 60.2 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 55.2 | 63.3 | -176.4 | -163.3 | 47.3 | 0 | 0 | 0 | 112.2 | G154 H155 | G154-N201 CarbonylContact O-C 3.58Å; G154-N201 WeakPolarHBondContact O-CA 3.23Å; G154-N201 PolarHBondContact O-N 3.03Å; H155-N201 PolarHBondContact O-N 2.82Å; H155-N201 VanDerWaalsContact O-N 3.13Å |
| 202 | I | 85.3 | Confident | 91.9 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -63.3 | 142.6 | -176.2 | -170.7 | 169.3 | 0 | 0 | 0 | 111.5 | G154 V157 F199 E206 F207 L227 | G154-I202 PolarHBondContact O-N 3.37Å; V157-I202 HydrophobicContact CB-CD1 4.27Å; V157-I202 HydrophobicContact CG1-CD1 4.5Å; V157-I202 HydrophobicContact CG2-CB 4.39Å; V157-I202 HydrophobicContact CG2-CD1 4.15Å; V157-I202 HydrophobicContact CG2-CG2 3.79Å; F199-I202 HydrophobicContact CB-CB 4.48Å; I202-E206 HydrophobicContact CD1-CB 3.99Å; I202-E206 HydrophobicContact CG1-CB 3.69Å; I202-E206 HydrophobicContact CG1-CG 4.24Å; I202-F207 HydrophobicContact CD1-CD1 4.41Å; I202-F207 HydrophobicContact CD1-CE1 3.78Å; I202-F207 HydrophobicContact CD1-CZ 4.39Å; I202-F207 HydrophobicContact CG1-CE1 4.33Å; I202-F207 HydrophobicContact CG1-CZ 4.49Å; I202-L227 HydrophobicContact CD1-CD1 4.06Å; I202-L227 HydrophobicContact CD1-CD2 3.79Å; I202-L227 HydrophobicContact CD1-CG 4.09Å | ||
| 203 | S | 84.9 | Confident | 92 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | trans | -126.5 | 177.8 | 177.2 | 83.7 | 0 | 0 | 0 | 0 | 111.2 | F205 E206 | S203-F205 PolarHBondContact O-N 2.86Å; S203-F205 VanDerWaalsContact O-N 3.08Å; S203-F205 WeakPolarHBondContact OG-CD2 3.33Å; S203-F205 PolarHBondContact OG-N 2.7Å; S203-E206 VanDerWaalsContact CA-OE2 3.28Å; S203-E206 WeakPolarHBondContact CA-OE2 3.13Å; S203-E206 VanDerWaalsContact CB-OE2 3.28Å; S203-E206 WeakPolarHBondContact CB-OE2 3.14Å; S203-E206 PolarHBondContact N-OE2 3Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 VanDerWaalsContact O-OE2 3.09Å; S203-E206 PolarHBondContact OG-OE2 3.27Å | ||
| 204 | Q | 83.7 | Confident | 92.2 | Very high | 138 Ų | 138 | 50.8 Ų | 50.8 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -60.1 | -18.9 | 176.4 | 69.6 | -178.8 | 31.5 | 0 | 0 | 114.8 | E206 F207 | Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-F207 HydrophobicContact CB-CD2 4.29Å; Q204-F207 HydrophobicContact CB-CE2 4.36Å |
| 205 | F | 84.5 | Confident | 92.3 | Very high | 133 Ų | 133 | 48.4 Ų | 48.4 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -78.7 | -17.7 | -178.6 | -60.6 | -68.3 | 0 | 0 | 0 | 113.1 | R176 M187 S203 | R176-F205 VanDerWaalsContact CZ-O 3.31Å; R176-F205 PolarHBondContact NH1-O 3.04Å; R176-F205 PolarHBondContact NH2-O 3.26Å; M187-F205 HydrophobicContact CE-CB 4.43Å; S203-F205 PolarHBondContact O-N 2.86Å; S203-F205 VanDerWaalsContact O-N 3.08Å; S203-F205 WeakPolarHBondContact OG-CD2 3.33Å; S203-F205 PolarHBondContact OG-N 2.7Å |
| 206 | E | 88.1 | Confident | 92.3 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -89.8 | -1.8 | 175.8 | -69.8 | 69.9 | -138 | 0 | 0 | 113.5 | M187 F199 I202 S203 Q204 Y210 | M187-E206 HydrophobicContact CE-CG 4.27Å; M187-E206 VanDerWaalsContact CE-OE1 3.26Å; M187-E206 WeakPolarHBondContact CE-OE1 3.35Å; F199-E206 HydrophobicContact CD1-CB 4.29Å; F199-E206 HydrophobicContact CD1-CG 3.67Å; F199-E206 HydrophobicContact CE1-CB 4.37Å; F199-E206 HydrophobicContact CE1-CG 3.91Å; F199-E206 HydrophobicContact CG-CG 4.47Å; I202-E206 HydrophobicContact CD1-CB 3.99Å; I202-E206 HydrophobicContact CG1-CB 3.69Å; I202-E206 HydrophobicContact CG1-CG 4.24Å; S203-E206 VanDerWaalsContact CA-OE2 3.28Å; S203-E206 WeakPolarHBondContact CA-OE2 3.13Å; S203-E206 VanDerWaalsContact CB-OE2 3.28Å; S203-E206 WeakPolarHBondContact CB-OE2 3.14Å; S203-E206 PolarHBondContact N-OE2 3Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 VanDerWaalsContact O-OE2 3.09Å; S203-E206 PolarHBondContact OG-OE2 3.27Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; E206-Y210 WeakPolarHBondContact O-CE2 3.45Å; E206-Y210 PolarHBondContact O-OH 3.14Å |
| 207 | F | 89.4 | Confident | 92.3 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | trans | -79.4 | 142.9 | 174.8 | -59.8 | -48 | 0 | 0 | 0 | 112.4 | V151 R176 I202 Q204 L227 H229 | V151-F207 HydrophobicContact CG1-CE1 3.5Å; V151-F207 VanDerWaalsContact CG1-CE1 3.5Å; V151-F207 HydrophobicContact CG1-CZ 3.75Å; R176-F207 PolarHBondContact NH2-O 2.89Å; I202-F207 HydrophobicContact CD1-CD1 4.41Å; I202-F207 HydrophobicContact CD1-CE1 3.78Å; I202-F207 HydrophobicContact CD1-CZ 4.39Å; I202-F207 HydrophobicContact CG1-CE1 4.33Å; I202-F207 HydrophobicContact CG1-CZ 4.49Å; Q204-F207 HydrophobicContact CB-CD2 4.29Å; Q204-F207 HydrophobicContact CB-CE2 4.36Å; F207-L227 CarbonylContact C-O 3.56Å; F207-L227 WeakPolarHBondContact CA-O 3.35Å; F207-L227 WeakPolarHBondContact CB-O 3.47Å; F207-L227 HydrophobicContact CD1-CD1 4.44Å; F207-L227 HydrophobicContact CD1-CG 4.04Å; F207-L227 WeakPolarHBondContact CD1-O 3.3Å; F207-L227 HydrophobicContact CE1-CD1 4.45Å; F207-L227 HydrophobicContact CE1-CG 4.45Å; F207-H229 AromaticContact CD2-CD2 3.85Å; F207-H229 AromaticContact CD2-NE2 3.98Å; F207-H229 AromaticContact CE2-CD2 3.38Å; F207-H229 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H229 AromaticContact CE2-CE1 3.41Å; F207-H229 VanDerWaalsContact CE2-CE1 3.41Å; F207-H229 WeakPolarHBondContact CE2-CE1 3.45Å; F207-H229 AromaticContact CE2-CG 3.74Å; F207-H229 AromaticContact CE2-ND1 3.75Å; F207-H229 AromaticContact CE2-NE2 3.18Å; F207-H229 WeakPolarHBondContact CE2-NE2 3.4Å; F207-H229 AromaticContact CZ-CD2 3.99Å; F207-H229 AromaticContact CZ-CE1 3.62Å; F207-H229 AromaticContact CZ-CG 3.86Å; F207-H229 AromaticContact CZ-ND1 3.62Å; F207-H229 AromaticContact CZ-NE2 3.87Å | ||
| 208 | G | 91.2 | Very high | 92.3 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.3 | -173.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y210 L227 | G208-Y210 WeakPolarHBondContact O-CD2 3.21Å; G208-L227 PolarHBondContact N-O 2.84Å; G208-L227 PolarHBondContact O-N 3.32Å |
| 209 | E | 95.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 136 | 176.3 | -173.9 | 176.8 | -148 | 0 | 0 | 110.8 | V177 T224 | V177-E209 HydrophobicContact CB-CB 4.21Å; V177-E209 HydrophobicContact CB-CG 4.27Å; V177-E209 PolarHBondContact N-O 3.16Å; E209-T224 HydrophobicContact CG-CG2 4.4Å; E209-T224 WeakPolarHBondContact OE1-CB 3.37Å; E209-T224 WeakPolarHBondContact OE1-CG2 3.33Å; E209-T224 PolarHBondContact OE1-OG1 2.89Å |
| 210 | Y | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.5 | 175.7 | -73.7 | -91.8 | 0 | 0 | 0 | 109.6 | L159 R176 V186 L197 F199 E206 G208 T224 V225 L227 | L159-Y210 HydrophobicContact CD1-CD1 3.98Å; L159-Y210 HydrophobicContact CD1-CD2 3.71Å; L159-Y210 HydrophobicContact CD1-CE2 4.39Å; L159-Y210 HydrophobicContact CD1-CG 3.47Å; L159-Y210 VanDerWaalsContact CD1-CG 3.47Å; R176-Y210 HydrophobicContact CB-CD1 4.44Å; R176-Y210 HydrophobicContact CB-CE1 4.15Å; V186-Y210 HydrophobicContact CB-CE1 4.44Å; V186-Y210 HydrophobicContact CG1-CD1 3.85Å; V186-Y210 HydrophobicContact CG1-CE1 3.83Å; L197-Y210 HydrophobicContact CD2-CD1 3.96Å; L197-Y210 HydrophobicContact CD2-CE1 4.16Å; F199-Y210 HydrophobicContact CE2-CE1 4.46Å; F199-Y210 AromaticContact CZ-CE1 3.7Å; F199-Y210 HydrophobicContact CZ-CE1 3.7Å; F199-Y210 AromaticContact CZ-CZ 3.71Å; E206-Y210 WeakPolarHBondContact O-CE2 3.45Å; E206-Y210 PolarHBondContact O-OH 3.14Å; G208-Y210 WeakPolarHBondContact O-CD2 3.21Å; Y210-T224 CarbonylContact O-C 3.6Å; Y210-T224 VanDerWaalsContact O-CA 3.23Å; Y210-T224 WeakPolarHBondContact O-CA 3.33Å; Y210-V225 PolarHBondContact N-O 2.84Å; Y210-V225 PolarHBondContact O-N 3.5Å; Y210-L227 HydrophobicContact CD2-CB 3.9Å; Y210-L227 HydrophobicContact CD2-CD2 4.46Å; Y210-L227 HydrophobicContact CE2-CB 3.85Å; Y210-L227 HydrophobicContact CE2-CD2 3.92Å; Y210-L227 HydrophobicContact CE2-CG 4.43Å |
| 211 | C | 97.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.5 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | W174 I175 V177 C223 T224 | W174-C211 WeakPolarHBondContact CA-O 3.3Å; I175-C211 HydrophobicContact CD1-CB 4.17Å; I175-C211 HydrophobicContact CG1-CB 3.76Å; I175-C211 PolarHBondContact N-O 2.94Å; I175-C211 PolarHBondContact O-N 2.94Å; V177-C211 HydrophobicContact CG2-CB 3.71Å; C211-C223 WeakPolarHBondContact CA-O 3.29Å; C211-T224 HydrophobicContact CB-CG2 3.88Å |
| 212 | C | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.3 | 168.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | C161 T173 W174 T222 C223 | C161-C212 HydrophobicContact CB-CB 3.56Å; C161-C212 WeakPolarHBondContact CB-SG 3.46Å; C161-C212 WeakPolarHBondContact SG-CB 3.35Å; C161-C212 CovalentContact SG-SG 2.02Å; C161-C212 PolarHBondContact SG-SG 2.83Å; T173-C212 CarbonylContact O-C 3.53Å; T173-C212 WeakPolarHBondContact O-CA 3.43Å; W174-C212 HydrophobicContact CD2-CB 3.93Å; W174-C212 HydrophobicContact CE3-CB 3.79Å; W174-C212 HydrophobicContact CH2-CB 3.85Å; W174-C212 HydrophobicContact CZ2-CB 3.99Å; W174-C212 HydrophobicContact CZ3-CB 3.74Å; C212-T222 CarbonylContact O-C 3.47Å; C212-T222 WeakPolarHBondContact O-CA 3.48Å; C212-T222 VanDerWaalsContact O-CB 3.32Å; C212-T222 WeakPolarHBondContact O-CB 3.27Å; C212-C223 PolarHBondContact N-O 3.35Å; C212-C223 PolarHBondContact O-N 2.92Å |
| 213 | S | 98.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.9 | 167.3 | 176 | 0 | 0 | 0 | 0 | 110.2 | Y172 T173 | Y172-S213 WeakPolarHBondContact CA-O 3.42Å; T173-S213 PolarHBondContact N-O 2.77Å; T173-S213 PolarHBondContact O-N 2.93Å |
| 214 | A | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P140 P143 S163 P170 T171 Y172 S220 A221 | P140-A214 HydrophobicContact CB-CB 3.9Å; P140-A214 HydrophobicContact CG-CB 4.4Å; P143-A214 HydrophobicContact CB-CB 4.43Å; P143-A214 HydrophobicContact CG-CB 4.18Å; S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.29Å; P170-A214 HydrophobicContact CB-CB 4.24Å; T171-A214 CarbonylContact O-C 3.53Å; T171-A214 WeakPolarHBondContact O-CA 3.43Å; Y172-A214 HydrophobicContact CD1-CB 3.74Å; Y172-A214 HydrophobicContact CE1-CB 3.54Å; A214-S220 CarbonylContact O-C 3.51Å; A214-S220 WeakPolarHBondContact O-CA 3.47Å; A214-S220 WeakPolarHBondContact O-CB 3.21Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 2.64Å |
| 215 | S | 98.3 | Very high | 95.7 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.8 | -174.3 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | P170 T171 | P170-S215 CarbonylContact C-O 3.54Å; P170-S215 VanDerWaalsContact CA-O 3.28Å; P170-S215 WeakPolarHBondContact CA-O 3.39Å; T171-S215 PolarHBondContact N-O 2.84Å; T171-S215 PolarHBondContact O-N 3.28Å |
| 216 | N | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | -172.5 | 166.7 | 73.2 | 12.8 | 0 | 0 | 0 | 110.5 | E138 P140 S167 P168 V218 G219 | E138-N216 PolarHBondContact O-ND2 3.36Å; P140-N216 HydrophobicContact CG-CB 4.47Å; S167-N216 PolarHBondContact N-ND2 2.93Å; S167-N216 PolarHBondContact O-ND2 2.98Å; P168-N216 WeakPolarHBondContact O-CB 3.48Å; P168-N216 PolarHBondContact O-ND2 2.57Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 VanDerWaalsContact O-N 3.16Å; N216-V218 WeakPolarHBondContact OD1-CA 3.49Å; N216-V218 WeakPolarHBondContact OD1-CB 3.25Å; N216-V218 PolarHBondContact OD1-N 3.23Å; N216-G219 PolarHBondContact N-O 3.06Å; N216-G219 PolarHBondContact O-N 2.88Å; N216-G219 PolarHBondContact OD1-N 3.46Å; N216-G219 PolarHBondContact OD1-O 2.75Å |
| 217 | A | 96.5 | Very high | 96.3 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 218 | V | 97.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -28.1 | 179.3 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | T32 L137 R139 N216 | T32-V218 HydrophobicContact CG2-CG1 3.83Å; L137-V218 HydrophobicContact CB-CG2 3.58Å; L137-V218 HydrophobicContact CD1-CG2 4.45Å; R139-V218 HydrophobicContact CB-CB 4.39Å; R139-V218 HydrophobicContact CB-CG1 4.22Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 VanDerWaalsContact O-N 3.16Å; N216-V218 WeakPolarHBondContact OD1-CA 3.49Å; N216-V218 WeakPolarHBondContact OD1-CB 3.25Å; N216-V218 PolarHBondContact OD1-N 3.23Å |
| 219 | G | 97.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -164.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P140 N216 | P140-G219 WeakPolarHBondContact CD-O 3.44Å; N216-G219 PolarHBondContact N-O 3.06Å; N216-G219 PolarHBondContact O-N 2.88Å; N216-G219 PolarHBondContact OD1-N 3.46Å; N216-G219 PolarHBondContact OD1-O 2.75Å |
| 220 | S | 98 | Very high | 94 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 164.1 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | R139 A214 | R139-S220 PolarHBondContact NH2-O 3.03Å; A214-S220 CarbonylContact O-C 3.51Å; A214-S220 WeakPolarHBondContact O-CA 3.47Å; A214-S220 WeakPolarHBondContact O-CB 3.21Å |
| 221 | A | 98.3 | Very high | 92 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 12% | 0.116 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | P140 S141 A214 | P140-A221 HydrophobicContact CB-CB 4.47Å; P140-A221 WeakPolarHBondContact O-CB 3.31Å; S141-A221 WeakPolarHBondContact O-CB 3.3Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 2.64Å |
| 222 | T | 98.1 | Very high | 89.8 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.5 | -170.6 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | C212 | C212-T222 CarbonylContact O-C 3.47Å; C212-T222 WeakPolarHBondContact O-CA 3.48Å; C212-T222 VanDerWaalsContact O-CB 3.32Å; C212-T222 WeakPolarHBondContact O-CB 3.27Å |
| 223 | C | 97.9 | Very high | 87.9 | Confident | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.6 | 164.1 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | P143 C145 C211 C212 | P143-C223 HydrophobicContact CG-CB 4.03Å; P143-C223 VanDerWaalsContact CG-SG 3.57Å; P143-C223 VanDerWaalsContact O-CB 3.23Å; P143-C223 WeakPolarHBondContact O-CB 3.1Å; P143-C223 PolarHBondContact O-SG 3.2Å; C145-C223 HydrophobicContact CB-CB 3.85Å; C145-C223 WeakPolarHBondContact CB-SG 3.47Å; C145-C223 PolarHBondContact N-SG 2.86Å; C145-C223 VanDerWaalsContact N-SG 3.37Å; C145-C223 VanDerWaalsContact SG-C 3.56Å; C145-C223 WeakPolarHBondContact SG-CB 3.43Å; C145-C223 CovalentContact SG-SG 2.03Å; C145-C223 PolarHBondContact SG-SG 2.99Å; C211-C223 WeakPolarHBondContact CA-O 3.29Å; C212-C223 PolarHBondContact N-O 3.35Å; C212-C223 PolarHBondContact O-N 2.92Å |
| 224 | T | 96.8 | Very high | 85.8 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 153.9 | 169.1 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | E209 Y210 C211 | E209-T224 HydrophobicContact CG-CG2 4.4Å; E209-T224 WeakPolarHBondContact OE1-CB 3.37Å; E209-T224 WeakPolarHBondContact OE1-CG2 3.33Å; E209-T224 PolarHBondContact OE1-OG1 2.89Å; Y210-T224 CarbonylContact O-C 3.6Å; Y210-T224 VanDerWaalsContact O-CA 3.23Å; Y210-T224 WeakPolarHBondContact O-CA 3.33Å; C211-T224 HydrophobicContact CB-CG2 3.88Å |
| 225 | V | 95.4 | Very high | 84 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.2 | 174 | 60.1 | 0 | 0 | 0 | 0 | 109 | C145 V147 L159 W174 Y210 | C145-V225 HydrophobicContact CB-CB 3.83Å; C145-V225 HydrophobicContact CB-CG1 4.03Å; V147-V225 HydrophobicContact CG2-CG2 3.56Å; L159-V225 HydrophobicContact CD1-CG1 4.17Å; L159-V225 HydrophobicContact CD2-CG1 4.26Å; W174-V225 HydrophobicContact CH2-CG1 4Å; W174-V225 HydrophobicContact CZ3-CG1 3.92Å; Y210-V225 PolarHBondContact N-O 2.84Å; Y210-V225 PolarHBondContact O-N 3.5Å |
| 226 | E | 93.6 | Very high | 82.2 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.8 | 173.8 | -173 | 171.5 | -174.5 | 0 | 0 | 109.4 | ||
| 227 | L | 91.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.4 | 170.4 | 178.4 | 48.1 | 0 | 0 | 0 | 107.2 | V147 V151 V157 L159 F199 I202 F207 G208 Y210 | V147-L227 HydrophobicContact CG1-CD1 3.91Å; V151-L227 HydrophobicContact CG2-CD1 4.36Å; V157-L227 HydrophobicContact CG1-CD1 3.91Å; L159-L227 HydrophobicContact CD1-CD2 4.34Å; L159-L227 HydrophobicContact CD2-CB 4.46Å; L159-L227 HydrophobicContact CD2-CD2 4.31Å; L159-L227 HydrophobicContact CG-CD2 4.48Å; F199-L227 HydrophobicContact CD2-CD2 4.04Å; F199-L227 HydrophobicContact CE2-CD2 3.82Å; F199-L227 HydrophobicContact CZ-CD2 4.49Å; I202-L227 HydrophobicContact CD1-CD1 4.06Å; I202-L227 HydrophobicContact CD1-CD2 3.79Å; I202-L227 HydrophobicContact CD1-CG 4.09Å; F207-L227 CarbonylContact C-O 3.56Å; F207-L227 WeakPolarHBondContact CA-O 3.35Å; F207-L227 WeakPolarHBondContact CB-O 3.47Å; F207-L227 HydrophobicContact CD1-CD1 4.44Å; F207-L227 HydrophobicContact CD1-CG 4.04Å; F207-L227 WeakPolarHBondContact CD1-O 3.3Å; F207-L227 HydrophobicContact CE1-CD1 4.45Å; F207-L227 HydrophobicContact CE1-CG 4.45Å; G208-L227 PolarHBondContact N-O 2.84Å; G208-L227 PolarHBondContact O-N 3.32Å; Y210-L227 HydrophobicContact CD2-CB 3.9Å; Y210-L227 HydrophobicContact CD2-CD2 4.46Å; Y210-L227 HydrophobicContact CE2-CB 3.85Å; Y210-L227 HydrophobicContact CE2-CD2 3.92Å; Y210-L227 HydrophobicContact CE2-CG 4.43Å |
| 228 | S | 87.3 | Confident | 79.4 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | trans | -133.3 | 166.1 | -177.1 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | E230 | S228-E230 VanDerWaalsContact C-N 3.3Å; S228-E230 PolarHBondContact O-N 2.78Å | ||
| 229 | H | 76.7 | Confident | 78.5 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 56% | 0.56 | 42% | 0.418 | S | S | * | . | trans | -68.4 | 90.6 | 158.9 | -72.6 | -69.5 | 0 | 0 | 0 | 108.4 | F207 L231 | F207-H229 AromaticContact CD2-CD2 3.85Å; F207-H229 AromaticContact CD2-NE2 3.98Å; F207-H229 AromaticContact CE2-CD2 3.38Å; F207-H229 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H229 AromaticContact CE2-CE1 3.41Å; F207-H229 VanDerWaalsContact CE2-CE1 3.41Å; F207-H229 WeakPolarHBondContact CE2-CE1 3.45Å; F207-H229 AromaticContact CE2-CG 3.74Å; F207-H229 AromaticContact CE2-ND1 3.75Å; F207-H229 AromaticContact CE2-NE2 3.18Å; F207-H229 WeakPolarHBondContact CE2-NE2 3.4Å; F207-H229 AromaticContact CZ-CD2 3.99Å; F207-H229 AromaticContact CZ-CE1 3.62Å; F207-H229 AromaticContact CZ-CG 3.86Å; F207-H229 AromaticContact CZ-ND1 3.62Å; F207-H229 AromaticContact CZ-NE2 3.87Å; H229-L231 PolarHBondContact O-N 2.85Å | ||
| 230 | E | 65.4 | Low | 78 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | trans | -62.8 | 108.2 | 171 | -72.1 | -159 | 162 | 0 | 0 | 109.3 | S228 G232 | S228-E230 VanDerWaalsContact C-N 3.3Å; S228-E230 PolarHBondContact O-N 2.78Å; E230-G232 PolarHBondContact O-N 2.97Å | ||
| 231 | L | 54.3 | Low | 77.4 | Confident | 133 Ų | 133 | 71.5 Ų | 71.5 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | trans | -62.2 | 86.2 | 162.3 | -79.4 | 156.3 | 0 | 0 | 0 | 107 | H229 | H229-L231 PolarHBondContact O-N 2.85Š| ||
| 232 | G | 50.7 | Low | 77 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | trans | -50.5 | 143.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E230 G234 A235 | E230-G232 PolarHBondContact O-N 2.97Å; G232-G234 PolarHBondContact O-N 2.99Å; G232-A235 WeakPolarHBondContact O-CB 3.29Å; G232-A235 PolarHBondContact O-N 2.85Å | ||
| 233 | D | 57.8 | Low | 76.8 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -49.3 | -25.6 | -171.7 | -74.8 | -33.2 | 0 | 0 | 0 | 114.5 | A235 I236 A237 | D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 2.85Å; D233-I236 PolarHBondContact O-N 2.85Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 3.49Å |
| 234 | G | 55 | Low | 76.6 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 63% | 0.629 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.2 | -32.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G232 G238 | G232-G234 PolarHBondContact O-N 2.99Å; G234-G238 WeakPolarHBondContact O-CA 3.17Å; G234-G238 PolarHBondContact O-N 3Å |
| 235 | A | 59.8 | Low | 76.6 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G232 D233 G238 A239 | G232-A235 WeakPolarHBondContact O-CB 3.29Å; G232-A235 PolarHBondContact O-N 2.85Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 2.85Å; A235-G238 PolarHBondContact O-N 2.84Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 2.82Å |
| 236 | I | 62.3 | Low | 76.6 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 176.5 | -56.3 | 176.4 | 0 | 0 | 0 | 109.7 | D233 G238 A239 V240 | D233-I236 PolarHBondContact O-N 2.85Å; I236-G238 PolarHBondContact O-N 2.86Å; I236-A239 PolarHBondContact O-N 2.82Å; I236-V240 WeakPolarHBondContact O-CG2 3.45Å; I236-V240 PolarHBondContact O-N 2.81Å |
| 237 | A | 61.9 | Low | 76.7 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D233 V240 I241 | D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 3.49Å; A237-V240 PolarHBondContact O-N 2.83Å; A237-I241 HydrophobicContact CB-CD1 4.5Å; A237-I241 VanDerWaalsContact O-CB 3.3Å; A237-I241 WeakPolarHBondContact O-CB 3.36Å; A237-I241 WeakPolarHBondContact O-CD1 3.35Å; A237-I241 WeakPolarHBondContact O-CG1 3.35Å; A237-I241 PolarHBondContact O-N 3.49Å |
| 238 | G | 71.9 | Confident | 76.9 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G234 A235 I236 G242 | G234-G238 WeakPolarHBondContact O-CA 3.17Å; G234-G238 PolarHBondContact O-N 3Å; A235-G238 PolarHBondContact O-N 2.84Å; I236-G238 PolarHBondContact O-N 2.86Å; G238-G242 PolarHBondContact O-N 3.13Å |
| 239 | A | 80.1 | Confident | 77.4 | Confident | 68 Ų | 68 | 82 Ų | 82 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A235 I236 A243 | A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 2.82Å; I236-A239 PolarHBondContact O-N 2.82Å; A239-A243 WeakPolarHBondContact O-CB 3.03Å; A239-A243 PolarHBondContact O-N 2.92Å |
| 240 | V | 85.1 | Confident | 78.3 | Confident | 81 Ų | 81 | 81 Ų | 81 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I236 A237 G242 A243 L244 | I236-V240 WeakPolarHBondContact O-CG2 3.45Å; I236-V240 PolarHBondContact O-N 2.81Å; A237-V240 PolarHBondContact O-N 2.83Å; V240-G242 PolarHBondContact O-N 2.82Å; V240-A243 PolarHBondContact O-N 2.83Å; V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 VanDerWaalsContact O-CG 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.01Å; V240-L244 PolarHBondContact O-N 3.27Å |
| 241 | I | 87 | Confident | 79.8 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.4 | -67.5 | 165.1 | 0 | 0 | 0 | 110.5 | A237 L244 L245 | A237-I241 HydrophobicContact CB-CD1 4.5Å; A237-I241 VanDerWaalsContact O-CB 3.3Å; A237-I241 WeakPolarHBondContact O-CB 3.36Å; A237-I241 WeakPolarHBondContact O-CD1 3.35Å; A237-I241 WeakPolarHBondContact O-CG1 3.35Å; A237-I241 PolarHBondContact O-N 3.49Å; I241-L244 PolarHBondContact O-N 3.35Å; I241-L245 HydrophobicContact CG2-CD1 3.85Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 2.96Å |
| 242 | G | 88.4 | Confident | 81.7 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | G238 V240 G246 | G238-G242 PolarHBondContact O-N 3.13Å; V240-G242 PolarHBondContact O-N 2.82Å; G242-G246 PolarHBondContact O-N 3.24Å |
| 243 | A | 93.8 | Very high | 83.9 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A239 V240 G246 A247 | A239-A243 WeakPolarHBondContact O-CB 3.03Å; A239-A243 PolarHBondContact O-N 2.92Å; V240-A243 PolarHBondContact O-N 2.83Å; A243-G246 PolarHBondContact O-N 2.68Å; A243-A247 WeakPolarHBondContact O-CB 3.28Å; A243-A247 PolarHBondContact O-N 3.31Å |
| 244 | L | 94.7 | Very high | 85.7 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 177.5 | -71.9 | 170.4 | 0 | 0 | 0 | 112.1 | V240 I241 A247 V248 | V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 VanDerWaalsContact O-CG 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.01Å; V240-L244 PolarHBondContact O-N 3.27Å; I241-L244 PolarHBondContact O-N 3.35Å; L244-A247 PolarHBondContact O-N 2.91Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.72Å; L244-V248 VanDerWaalsContact O-N 3.08Å |
| 245 | L | 95.6 | Very high | 87.5 | Confident | 115 Ų | 115 | 83.2 Ų | 83.2 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177 | -70 | 174.5 | 0 | 0 | 0 | 111.7 | I241 V248 L249 | I241-L245 HydrophobicContact CG2-CD1 3.85Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 2.96Å; L245-V248 PolarHBondContact O-N 2.74Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 PolarHBondContact O-N 2.86Å |
| 246 | G | 95.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 87 Ų | 87 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G242 A243 L249 I250 | G242-G246 PolarHBondContact O-N 3.24Å; A243-G246 PolarHBondContact O-N 2.68Å; G246-L249 PolarHBondContact O-N 3.11Å; G246-I250 VanDerWaalsContact O-CG1 3.32Å; G246-I250 WeakPolarHBondContact O-CG1 3.22Å; G246-I250 PolarHBondContact O-N 3.12Å |
| 247 | A | 96.1 | Very high | 90.6 | Very high | 47 Ų | 47 | 88 Ų | 88 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A243 L244 L249 I250 I251 | A243-A247 WeakPolarHBondContact O-CB 3.28Å; A243-A247 PolarHBondContact O-N 3.31Å; L244-A247 PolarHBondContact O-N 2.91Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.19Å; A247-I250 PolarHBondContact O-N 3.32Å; A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.32Å; A247-I251 PolarHBondContact O-N 2.91Å |
| 248 | V | 96.5 | Very high | 92 | Very high | 83 Ų | 83 | 89.8 Ų | 89.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L244 L245 I251 L252 | L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.72Å; L244-V248 VanDerWaalsContact O-N 3.08Å; L245-V248 PolarHBondContact O-N 2.74Å; V248-I251 PolarHBondContact O-N 3.1Å; V248-L252 HydrophobicContact CG1-CD1 4.16Å; V248-L252 WeakPolarHBondContact O-CG 3.22Å; V248-L252 PolarHBondContact O-N 3.01Å |
| 249 | L | 96.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | -179.7 | -151.5 | 159.8 | 0 | 0 | 0 | 111.4 | L245 G246 A247 L252 I253 | L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 PolarHBondContact O-N 2.86Å; G246-L249 PolarHBondContact O-N 3.11Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.19Å; L249-L252 PolarHBondContact O-N 2.03Å; L249-I253 HydrophobicContact CD2-CD1 3.55Å; L249-I253 HydrophobicContact CD2-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3Å |
| 250 | I | 96.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 90.8 Ų | 90.8 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 172.8 | -68.4 | 164.1 | 0 | 0 | 0 | 111.3 | G246 A247 L252 I253 I254 | G246-I250 VanDerWaalsContact O-CG1 3.32Å; G246-I250 WeakPolarHBondContact O-CG1 3.22Å; G246-I250 PolarHBondContact O-N 3.12Å; A247-I250 PolarHBondContact O-N 3.32Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 2.89Å; I250-I253 PolarHBondContact O-N 2.97Å; I250-I254 HydrophobicContact CG2-CD1 3.78Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.42Å; I250-I254 PolarHBondContact O-N 3Å |
| 251 | I | 95.9 | Very high | 92 | Very high | 110 Ų | 110 | 93 Ų | 93 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 177 | -68.8 | 164.1 | 0 | 0 | 0 | 110.9 | A247 V248 I254 W255 | A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.32Å; A247-I251 PolarHBondContact O-N 2.91Å; V248-I251 PolarHBondContact O-N 3.1Å; I251-I254 PolarHBondContact O-N 2.87Å; I251-W255 VanDerWaalsContact O-CB 3.3Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.85Å |
| 252 | L | 95.5 | Very high | 91.6 | Very high | 101 Ų | 101 | 96 Ų | 96 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.6 | -71.1 | 173.5 | 0 | 0 | 0 | 112.4 | V248 L249 I250 W255 F256 | V248-L252 HydrophobicContact CG1-CD1 4.16Å; V248-L252 WeakPolarHBondContact O-CG 3.22Å; V248-L252 PolarHBondContact O-N 3.01Å; L249-L252 PolarHBondContact O-N 2.03Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 2.89Å; L252-W255 PolarHBondContact O-N 2.9Å; L252-F256 VanDerWaalsContact O-CB 3.27Å; L252-F256 WeakPolarHBondContact O-CB 3.24Å; L252-F256 PolarHBondContact O-N 2.82Å |
| 253 | I | 95.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.3 | -70.3 | 168.3 | 0 | 0 | 0 | 110.8 | L249 I250 W255 F256 M257 | L249-I253 HydrophobicContact CD2-CD1 3.55Å; L249-I253 HydrophobicContact CD2-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3Å; I250-I253 PolarHBondContact O-N 2.97Å; I253-W255 VanDerWaalsContact C-N 3.34Å; I253-W255 PolarHBondContact O-N 2.92Å; I253-F256 PolarHBondContact O-N 3.32Å; I253-M257 HydrophobicContact CG2-CG 4.23Å; I253-M257 VanDerWaalsContact O-CB 3.32Å; I253-M257 WeakPolarHBondContact O-CB 3.34Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.48Å |
| 254 | I | 95.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 178.5 | -66.7 | 167.7 | 0 | 0 | 0 | 110.7 | I250 I251 M257 T258 | I250-I254 HydrophobicContact CG2-CD1 3.78Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.42Å; I250-I254 PolarHBondContact O-N 3Å; I251-I254 PolarHBondContact O-N 2.87Å; I254-M257 PolarHBondContact O-N 2.78Å; I254-T258 HydrophobicContact CG2-CG2 4.48Å; I254-T258 WeakPolarHBondContact O-CB 3.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.32Å; I254-T258 PolarHBondContact O-N 3.35Å; I254-T258 PolarHBondContact O-OG1 3.4Å |
| 255 | W | 94.6 | Very high | 88 | Confident | 152 Ų | 152 | 105.5 Ų | 105.5 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 175.1 | -179.4 | 86.4 | 0 | 0 | 0 | 111.9 | I251 L252 I253 T258 H259 | I251-W255 VanDerWaalsContact O-CB 3.3Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.85Å; L252-W255 PolarHBondContact O-N 2.9Å; I253-W255 VanDerWaalsContact C-N 3.34Å; I253-W255 PolarHBondContact O-N 2.92Å; W255-T258 WeakPolarHBondContact CA-OG1 3.26Å; W255-T258 PolarHBondContact O-N 2.93Å; W255-T258 PolarHBondContact O-OG1 3.19Å; W255-T258 VanDerWaalsContact O-OG1 3.07Å; W255-H259 WeakPolarHBondContact O-CB 3.45Å; W255-H259 PolarHBondContact O-N 3Å |
| 256 | F | 94.2 | Very high | 86.3 | Confident | 136 Ų | 136 | 102.9 Ų | 102.9 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 177.4 | -177.4 | -95 | 0 | 0 | 0 | 112.2 | L252 I253 S260 | L252-F256 VanDerWaalsContact O-CB 3.27Å; L252-F256 WeakPolarHBondContact O-CB 3.24Å; L252-F256 PolarHBondContact O-N 2.82Å; I253-F256 PolarHBondContact O-N 3.32Å; F256-S260 WeakPolarHBondContact O-CB 3.24Å; F256-S260 PolarHBondContact O-N 3.03Å; F256-S260 PolarHBondContact O-OG 2.7Å |
| 257 | M | 91.6 | Very high | 84.6 | Confident | 118 Ų | 118 | 108 Ų | 108 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.9 | -57.2 | 174 | -74 | -91.2 | -82.8 | 0 | 0 | 110.4 | I253 I254 H259 S260 M261 | I253-M257 HydrophobicContact CG2-CG 4.23Å; I253-M257 VanDerWaalsContact O-CB 3.32Å; I253-M257 WeakPolarHBondContact O-CB 3.34Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.48Å; I254-M257 PolarHBondContact O-N 2.78Å; M257-H259 PolarHBondContact O-N 2.59Å; M257-S260 PolarHBondContact O-N 2.95Å; M257-S260 PolarHBondContact O-OG 3.32Å; M257-M261 WeakPolarHBondContact O-CG 3.37Å; M257-M261 PolarHBondContact O-N 2.9Å |
| 258 | T | 90.9 | Very high | 82.8 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | I254 W255 M261 K262 | I254-T258 HydrophobicContact CG2-CG2 4.48Å; I254-T258 WeakPolarHBondContact O-CB 3.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.32Å; I254-T258 PolarHBondContact O-N 3.35Å; I254-T258 PolarHBondContact O-OG1 3.4Å; W255-T258 WeakPolarHBondContact CA-OG1 3.26Å; W255-T258 PolarHBondContact O-N 2.93Å; W255-T258 PolarHBondContact O-OG1 3.19Å; W255-T258 VanDerWaalsContact O-OG1 3.07Å; T258-M261 PolarHBondContact O-N 3.17Å; T258-K262 WeakPolarHBondContact O-CB 2.97Å; T258-K262 PolarHBondContact O-N 2.89Å |
| 259 | H | 84.4 | Confident | 80.9 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 41% | 0.407 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.7 | 180 | -115.9 | 0 | 0 | 0 | 112.2 | W255 M257 K262 K263 | W255-H259 WeakPolarHBondContact O-CB 3.45Å; W255-H259 PolarHBondContact O-N 3Å; M257-H259 PolarHBondContact O-N 2.59Å; H259-K262 PolarHBondContact O-N 3.35Å; H259-K263 WeakPolarHBondContact O-CB 3.5Å; H259-K263 PolarHBondContact O-N 3.28Å |
| 260 | S | 76.4 | Confident | 78.9 | Confident | 43 Ų | 43 | 110.6 Ų | 110.6 | 30% | 0.301 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.7 | 76.3 | 0 | 0 | 0 | 0 | 111.5 | F256 M257 K262 K263 Q264 | F256-S260 WeakPolarHBondContact O-CB 3.24Å; F256-S260 PolarHBondContact O-N 3.03Å; F256-S260 PolarHBondContact O-OG 2.7Å; M257-S260 PolarHBondContact O-N 2.95Å; M257-S260 PolarHBondContact O-OG 3.32Å; S260-K262 VanDerWaalsContact C-N 3.34Å; S260-K262 PolarHBondContact O-N 2.77Å; S260-K263 PolarHBondContact O-N 2.95Å; S260-Q264 WeakPolarHBondContact O-CG 3.01Å; S260-Q264 PolarHBondContact O-N 2.94Å |
| 261 | M | 77.4 | Confident | 76.8 | Confident | 128 Ų | 128 | 109.7 Ų | 109.7 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.2 | -40.8 | 173.1 | -62.7 | -122.5 | 94.5 | 0 | 0 | 111.7 | M257 T258 Q264 K265 | M257-M261 WeakPolarHBondContact O-CG 3.37Å; M257-M261 PolarHBondContact O-N 2.9Å; T258-M261 PolarHBondContact O-N 3.17Å; M261-Q264 PolarHBondContact O-N 3.48Å; M261-K265 WeakPolarHBondContact O-CG 3.38Å; M261-K265 PolarHBondContact O-N 2.92Å |
| 262 | K | 77.9 | Confident | 74.5 | Confident | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 175.7 | -163.1 | 173.5 | -175.4 | 178.3 | 0 | 111.9 | T258 H259 S260 K265 S266 | T258-K262 WeakPolarHBondContact O-CB 2.97Å; T258-K262 PolarHBondContact O-N 2.89Å; H259-K262 PolarHBondContact O-N 3.35Å; S260-K262 VanDerWaalsContact C-N 3.34Å; S260-K262 PolarHBondContact O-N 2.77Å; K262-K265 PolarHBondContact O-N 2.69Å; K262-S266 WeakPolarHBondContact O-CB 3.4Å; K262-S266 PolarHBondContact O-N 3.28Å |
| 263 | K | 72 | Confident | 72.2 | Confident | 124 Ų | 124 | 113.2 Ų | 113.2 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68 | -37.3 | 174.6 | -168.1 | 173.1 | -176.7 | 175.8 | 0 | 112.2 | H259 S260 S266 K267 | H259-K263 WeakPolarHBondContact O-CB 3.5Å; H259-K263 PolarHBondContact O-N 3.28Å; S260-K263 PolarHBondContact O-N 2.95Å; K263-S266 PolarHBondContact O-N 2.87Å; K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.15Å |
| 264 | Q | 65.7 | Low | 69.9 | Low | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -48.6 | 171.4 | -70.9 | -72.4 | 12.8 | 0 | 0 | 111.1 | S260 M261 S266 K267 A268 | S260-Q264 WeakPolarHBondContact O-CG 3.01Å; S260-Q264 PolarHBondContact O-N 2.94Å; M261-Q264 PolarHBondContact O-N 3.48Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 3.07Å; Q264-K267 PolarHBondContact O-N 2.81Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; Q264-A268 WeakPolarHBondContact O-CB 3.44Å; Q264-A268 PolarHBondContact O-N 3.34Å |
| 265 | K | 63.9 | Low | 67.4 | Low | 165 Ų | 165 | 121.4 Ų | 121.4 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.8 | -38.9 | 175.1 | -74 | -176.9 | 175.9 | -176.1 | 0 | 112.7 | M261 K262 A268 S269 | M261-K265 WeakPolarHBondContact O-CG 3.38Å; M261-K265 PolarHBondContact O-N 2.92Å; K262-K265 PolarHBondContact O-N 2.69Å; K265-A268 PolarHBondContact O-N 2.87Å; K265-S269 PolarHBondContact O-N 2.79Å |
| 266 | S | 59.7 | Low | 64.8 | Low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.1 | -34.4 | 175.4 | -177.5 | 0 | 0 | 0 | 0 | 113.6 | K262 K263 Q264 S269 K270 | K262-S266 WeakPolarHBondContact O-CB 3.4Å; K262-S266 PolarHBondContact O-N 3.28Å; K263-S266 PolarHBondContact O-N 2.87Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 3.07Å; S266-S269 PolarHBondContact O-OG 3Å; S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.98Å |
| 267 | K | 59.1 | Low | 62.2 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.8 | -39.1 | 172.3 | -75.6 | -176.3 | 172.7 | -166 | 0 | 112.1 | K263 Q264 K270 A271 | K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.15Å; Q264-K267 PolarHBondContact O-N 2.81Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; K267-K270 PolarHBondContact O-N 2.98Å; K267-A271 PolarHBondContact O-N 3.07Å |
| 268 | A | 58.3 | Low | 60.1 | Low | 60 Ų | 60 | 120.5 Ų | 120.5 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.8 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q264 K265 K270 A271 T272 | Q264-A268 WeakPolarHBondContact O-CB 3.44Å; Q264-A268 PolarHBondContact O-N 3.34Å; K265-A268 PolarHBondContact O-N 2.87Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 2.87Å; A268-A271 PolarHBondContact O-N 3.1Å; A268-T272 PolarHBondContact O-OG1 2.95Å |
| 269 | S | 57.1 | Low | 57.6 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 178.7 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | K265 S266 A271 T272 | K265-S269 PolarHBondContact O-N 2.79Å; S266-S269 PolarHBondContact O-OG 3Å; S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 2.81Å; S269-T272 PolarHBondContact O-N 2.93Å |
| 270 | K | 54.4 | Low | 55.1 | Low | 158 Ų | 158 | 127.6 Ų | 127.6 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.2 | -18.3 | 176.5 | -74.9 | -173.4 | 173.9 | -166.6 | 0 | 114.5 | S266 K267 A268 | S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.98Å; K267-K270 PolarHBondContact O-N 2.98Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 2.87Å |
| 271 | A | 52.9 | Low | 52.8 | Low | 80 Ų | 80 | 130.4 Ų | 130.4 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.9 | -24 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K267 A268 S269 | K267-A271 PolarHBondContact O-N 3.07Å; A268-A271 PolarHBondContact O-N 3.1Å; S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 2.81Å |
| 272 | T | 48.4 | Very low | 50.8 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -85.2 | -17.1 | -179.4 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | A268 S269 M274 | A268-T272 PolarHBondContact O-OG1 2.95Å; S269-T272 PolarHBondContact O-N 2.93Å; T272-M274 PolarHBondContact O-N 2.95Å |
| 273 | E | 45.3 | Very low | 48.6 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 26.8 | -177.7 | -151.5 | 178.6 | 167.3 | 0 | 0 | 114 | ||
| 274 | M | 47.3 | Very low | 46.8 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 37.6 | 175.5 | -162.3 | 117.8 | 108.7 | 0 | 0 | 113.3 | T272 | T272-M274 PolarHBondContact O-N 2.95Š|
| 275 | Q | 44.4 | Very low | 45.3 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -157.5 | 94 | 163.1 | -115.2 | 173.5 | 15.3 | 0 | 0 | 111.9 | ||||
| 276 | A | 39.6 | Very low | 43.8 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -153.9 | 120 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 277 | I | 38.6 | Very low | 42.6 | Very low | 170 Ų | 170 | 135 Ų | 135 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -131.4 | 138.5 | 163.2 | -63.9 | -179.7 | 0 | 0 | 0 | 106.4 | ||||
| 278 | P | 47.8 | Very low | 41.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -97.1 | 141.5 | -158.8 | 35.4 | -35.7 | 0 | 0 | 0 | 117.4 | ||||
| 279 | K | 39.5 | Very low | 40.4 | Very low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | trans | 43.6 | 121.5 | 140.8 | -66.4 | -175 | 177.1 | 179.9 | 0 | 122.5 | ||||
| 280 | S | 30.3 | Very low | 40.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -166.5 | 153.2 | 141.7 | -146.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 281 | S | 29.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | -173.4 | 159.9 | -20.4 | 41 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 282 | A | 34.5 | Very low | 38.6 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | 72.8 | 116.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 283 | T | 32.6 | Very low | 38 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | 69.5 | 141.3 | 95.9 | -5.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 284 | V | 33.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -147.6 | 163.7 | 32.1 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 285 | A | 34.2 | Very low | 36.9 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -82.3 | 169.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 286 | Y | 33.6 | Very low | 36.6 | Very low | 228 Ų | 228 | 132.6 Ų | 132.6 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -152 | 149.8 | 138.4 | 45.2 | -93.7 | 0 | 0 | 0 | 111.6 | ||||
| 287 | E | 33.9 | Very low | 36.6 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -83.7 | 165.8 | -174.1 | -72 | 163.9 | 97.2 | 0 | 0 | 113.9 | ||||
| 288 | G | 36.4 | Very low | 36.5 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -175.8 | 44.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 289 | V | 34 | Very low | 36 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -95.2 | 158 | 166.2 | 170.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 290 | P | 53.1 | Low | 35.9 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -135.4 | -163.3 | 19.5 | 11.5 | 19.4 | 0 | 0 | 0 | 114.5 | ||||
| 291 | T | 38 | Very low | 36.2 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | cis | -165.7 | 153.5 | -2.7 | 16.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 292 | R | 35.9 | Very low | 36.8 | Very low | 198 Ų | 198 | 131.3 Ų | 131.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | trans | 57.7 | 155.4 | 138.9 | -64 | 168.2 | 89.5 | 139.9 | 14.6 | 119.1 | ||||
| 293 | E | 35.9 | Very low | 36.8 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | cis | -158.7 | 166.8 | -9.9 | -115.8 | 160.2 | 168.3 | 0 | 0 | 106.1 | ||||
| 294 | S | 36.1 | Very low | 37 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -140.6 | -178.9 | 10.2 | -101.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 295 | G | 33.1 | Very low | 37.5 | Very low | 58 Ų | 58 | 128.7 Ų | 128.7 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | cis | 121.6 | 122.4 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 296 | H | 39 | Very low | 38.4 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | 116 | 105 | 175.2 | -65.8 | 88.4 | 0 | 0 | 0 | 113.2 | ||||
| 297 | Q | 38.3 | Very low | 38.4 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | 86.6 | 135 | 51.6 | -175.2 | 179.1 | -6.8 | 0 | 0 | 111.6 | |||||
| 298 | A | 37.3 | Very low | 38.6 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | cis | -171.1 | -166.8 | -19.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 299 | Y | 37 | Very low | 38.6 | Very low | 208 Ų | 208 | 124 Ų | 124 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 70.8 | 152.4 | 168.7 | -72.1 | -99.2 | 0 | 0 | 0 | 116.7 | ||||
| 300 | V | 37.1 | Very low | 38.8 | Very low | 107 Ų | 107 | 125 Ų | 125 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | cis | 157.9 | 135.6 | -26.5 | 138.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 301 | T | 36.3 | Very low | 38.4 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | 50.2 | 118.2 | 165 | 53.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 302 | S | 42.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 21.8 | 114.3 | 132.1 | 61.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 303 | G | 35.3 | Very low | 38.8 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | -126.1 | 157.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 304 | G | 35.8 | Very low | 38.9 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | cis | -173.5 | -170.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 305 | V | 44.8 | Very low | 39.1 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -109.7 | 140.4 | 173.4 | -172.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 306 | P | 51.9 | Low | 39.5 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -130.4 | 153.3 | 100.2 | 8.6 | 14.5 | 0 | 0 | 0 | 111.1 | |||||
| 307 | M | 34.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | cis | 78.5 | 129 | 43.6 | -154 | 179.9 | -169.9 | 0 | 0 | 114.3 | ||||
| 308 | A | 38.4 | Very low | 39.9 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | 89 | 145.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 309 | T | 37.3 | Very low | 40 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | cis | -172.9 | 154 | -11.2 | 20.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 310 | N | 37.8 | Very low | 40.4 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 60.9 | 158.8 | 157.4 | -68.1 | -6.7 | 0 | 0 | 0 | 117.9 | ||||
| 311 | S | 45.2 | Very low | 40.7 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -137.2 | 149.9 | 8 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | H | 38.6 | Very low | 41.2 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | 50.5 | 133.4 | 79.4 | -98.8 | 25.6 | 0 | 0 | 0 | 113 | |||||
| 313 | V | 43.4 | Very low | 41.7 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | cis | -164.2 | 157.5 | 9.7 | 95.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 314 | H | 37.4 | Very low | 42.5 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 35.1 | 123.6 | 140.7 | -124.5 | 33.2 | 0 | 0 | 0 | 121.5 | ||||
| 315 | S | 40.7 | Very low | 42.9 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 55% | 0.545 | 81% | 0.809 | S | S | . | * | 88.1 | 160.9 | 98.9 | 82 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 316 | D | 40.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | -139.1 | 153.3 | 3.1 | -84.2 | -64.5 | 0 | 0 | 0 | 107.3 | ||||
| 317 | A | 44.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 140 Ų | 140 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | 56.7 | 116.6 | 75.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 318 | D | 42.4 | Very low | 42.7 | Very low | 175 Ų | 175 | 138 Ų | 138 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | 56.1 | 152.3 | 152.8 | -56.4 | -31.7 | 0 | 0 | 0 | 122.9 | ||||
| 319 | G | 37.7 | Very low | 43 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 134.3 | 59.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 320 | E | 45.2 | Very low | 43.4 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | 16.3 | 122 | 131.5 | -172 | 178 | 159.5 | 0 | 0 | 120.5 | ||||
| 321 | R | 44.3 | Very low | 43.8 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -161.6 | 152.1 | 130.1 | -154.8 | 154.8 | -176.7 | 147.4 | 1.6 | 114.6 | ||||
| 322 | A | 47.9 | Very low | 43.7 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -78.5 | 162 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 323 | E | 52.7 | Low | 44.1 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -172.2 | 150.3 | 145.9 | -101.6 | 175.2 | -172.2 | 0 | 0 | 106.7 | ||||
| 324 | A | 52.4 | Low | 44.2 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 100% | 1.388 | 84% | 0.839 | S | S | * | * | cis | -154.2 | 0 | -10.6 | 0 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 324 of 324 residues in 274.9 ms
(Link to these results)