| 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 | S | 29.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 100% | 1.231 | 74% | 0.738 | S | S | * | * | 0 | 88.2 | 0 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 2 | S | 23.9 | Very low | 42.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -98.3 | 110.6 | -178.3 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | K | 25.4 | Very low | 44.5 | Very low | 189 Ų | 189 | 122.5 Ų | 122.5 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | trans | -89.1 | 109.7 | 166.9 | -83.9 | -173.7 | 172.9 | -178.5 | 0 | 108.7 | ||||
| 4 | E | 28.2 | Very low | 46.6 | Very low | 190 Ų | 190 | 118.7 Ų | 118.7 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | trans | -61 | 137.8 | 159.6 | -66.7 | 176.9 | 126.1 | 0 | 0 | 108.8 | ||||
| 5 | H | 26.5 | Very low | 48.3 | Very low | 171 Ų | 171 | 111.9 Ų | 111.9 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | trans | -100.6 | 109.8 | 165.5 | -91.7 | 14.4 | 0 | 0 | 0 | 108.5 | E7 | H5-E7 PolarHBondContact O-N 2.92Š| ||
| 6 | S | 32.6 | Very low | 49.1 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -70.2 | 107.5 | 164.1 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | A8 | S6-A8 PolarHBondContact O-N 3.44Š| ||
| 7 | E | 39.5 | Very low | 49.8 | Very low | 145 Ų | 145 | 104.9 Ų | 104.9 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | trans | -61 | 130.4 | 170.3 | -73 | -165.3 | 152.3 | 0 | 0 | 110.3 | H5 R28 | H5-E7 PolarHBondContact O-N 2.92Å; E7-R28 IonicContact OE2-CZ 3.79Å; E7-R28 IonicContact OE2-NH1 3.13Å; E7-R28 PolarHBondContact OE2-NH1 2.83Å; E7-R28 IonicContact OE2-NH2 2.74Å | ||
| 8 | A | 38.8 | Very low | 50.6 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | trans | -74 | 138.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S6 N10 | S6-A8 PolarHBondContact O-N 3.44Å; A8-N10 PolarHBondContact O-N 3.09Å | ||
| 9 | E | 54.7 | Low | 50.9 | Low | 153 Ų | 153 | 104.3 Ų | 104.3 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -70.5 | -18 | -178.6 | -63.3 | -167.6 | 125.6 | 0 | 0 | 114.1 | ||
| 10 | N | 62 | Low | 51.5 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.7 | 179 | -62.6 | -27.9 | 0 | 0 | 0 | 110.5 | A8 L26 T27 | A8-N10 PolarHBondContact O-N 3.09Å; N10-L26 WeakPolarHBondContact CA-O 3.25Å; N10-T27 WeakPolarHBondContact OD1-CG2 2.99Å |
| 11 | V | 69.4 | Low | 52.4 | Low | 32 Ų | 32 | 106.3 Ų | 106.3 | 19% | 0.194 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.6 | 126 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | V13 L26 Y61 F106 | V11-V13 HydrophobicContact CG1-CG2 3.99Å; V11-L26 PolarHBondContact N-O 3.04Å; V11-L26 WeakPolarHBondContact O-CB 3.39Å; V11-L26 PolarHBondContact O-N 3.37Å; V11-Y61 HydrophobicContact CG2-CE1 3.98Å; V11-F106 HydrophobicContact CG1-CE1 4.4Å; V11-F106 HydrophobicContact CG1-CZ 3.68Å |
| 12 | I | 74.5 | Confident | 54.6 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 57% | 0.569 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.7 | 174.6 | -60.3 | 177.4 | 0 | 0 | 0 | 109.1 | L24 I66 | I12-L24 CarbonylContact C-O 3.42Å; I12-L24 VanDerWaalsContact CA-O 3.23Å; I12-L24 WeakPolarHBondContact CA-O 3.38Å; I12-I66 HydrophobicContact CG2-CD1 4.41Å |
| 13 | V | 73.9 | Confident | 57.2 | Low | 15 Ų | 15 | 99.1 Ų | 99.1 | 9% | 0.091 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.5 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | V11 L15 L24 L26 L81 F106 | V11-V13 HydrophobicContact CG1-CG2 3.99Å; V13-L15 HydrophobicContact CG1-CD2 4.29Å; V13-L15 HydrophobicContact CG1-CG 4.25Å; V13-L24 HydrophobicContact CB-CB 4.34Å; V13-L24 HydrophobicContact CB-CD1 4.42Å; V13-L24 PolarHBondContact N-O 3.17Å; V13-L24 PolarHBondContact O-N 2.88Å; V13-L26 HydrophobicContact CB-CD1 4.28Å; V13-L26 HydrophobicContact CG2-CD1 3.72Å; V13-L81 HydrophobicContact CG1-CD2 3.94Å; V13-L81 HydrophobicContact CG2-CD1 4.4Å; V13-F106 HydrophobicContact CG2-CE2 4.07Å; V13-F106 HydrophobicContact CG2-CZ 4.47Å |
| 14 | S | 73.5 | Confident | 59.6 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.6 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | Y23 | S14-Y23 WeakPolarHBondContact OG-CE1 3.18Å |
| 15 | L | 72.1 | Confident | 62 | Low | 17 Ų | 17 | 83.2 Ų | 83.2 | 9% | 0.089 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.4 | 176.6 | -67.2 | 176.6 | 0 | 0 | 0 | 110.6 | V13 L22 L24 I85 I94 L113 | V13-L15 HydrophobicContact CG1-CD2 4.29Å; V13-L15 HydrophobicContact CG1-CG 4.25Å; L15-L22 PolarHBondContact N-O 2.87Å; L15-L22 PolarHBondContact O-N 2.73Å; L15-L24 HydrophobicContact CD1-CD1 3.43Å; L15-L24 VanDerWaalsContact CD1-CD1 3.43Å; L15-L24 HydrophobicContact CG-CD1 4.11Å; L15-I85 HydrophobicContact CD1-CD1 3.74Å; L15-I94 HydrophobicContact CD1-CD1 3.79Å; L15-I94 HydrophobicContact CD2-CD1 3.63Å; L15-I94 HydrophobicContact CG-CD1 4.39Å; L15-L113 HydrophobicContact CD1-CD2 4.37Å |
| 16 | S | 61.7 | Low | 63.9 | Low | 94 Ų | 94 | 75.2 Ų | 75.2 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 108.4 | 171.6 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | R20 S21 | S16-R20 WeakPolarHBondContact CA-O 3.41Å; S16-S21 PolarHBondContact OG-OG 3.15Å |
| 17 | A | 60.5 | Low | 65.4 | Low | 11 Ų | 11 | 72.2 Ų | 72.2 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G19 R20 L113 | A17-G19 PolarHBondContact O-N 2.84Å; A17-G19 VanDerWaalsContact O-N 3.12Å; A17-R20 PolarHBondContact N-O 2.87Å; A17-R20 PolarHBondContact O-N 2.96Å; A17-R20 VanDerWaalsContact O-O 3.05Å; A17-L113 HydrophobicContact CB-CD1 4.31Å; A17-L113 HydrophobicContact CB-CD2 4Å |
| 18 | F | 65.1 | Low | 66.5 | Low | 113 Ų | 113 | 69.8 Ų | 69.8 | 50% | 0.496 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 35.7 | 177.1 | -48.9 | -81.4 | 0 | 0 | 0 | 114.5 | L92 L113 R115 | F18-L92 HydrophobicContact CD2-CD2 3.84Å; F18-L92 HydrophobicContact CE2-CD2 3.48Å; F18-L92 VanDerWaalsContact CE2-CD2 3.48Å; F18-L92 HydrophobicContact CZ-CD2 4.46Å; F18-L113 HydrophobicContact CE2-CB 4.16Å; F18-L113 HydrophobicContact CZ-CB 4.45Å; F18-R115 HydrophobicContact CE1-CB 4.07Å; F18-R115 HydrophobicContact CE2-CB 4.02Å; F18-R115 HydrophobicContact CZ-CB 3.61Å |
| 19 | G | 56 | Low | 67 | Low | 85 Ų | 85 | 67.8 Ų | 67.8 | 88% | 0.876 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 13.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A17 | A17-G19 PolarHBondContact O-N 2.84Å; A17-G19 VanDerWaalsContact O-N 3.12Å |
| 20 | R | 63.3 | Low | 66.8 | Low | 186 Ų | 186 | 65.6 Ų | 65.6 | 70% | 0.702 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.5 | 175.8 | -62 | -176.5 | -179.7 | -172 | -1.8 | 111.3 | S16 A17 | S16-R20 WeakPolarHBondContact CA-O 3.41Å; A17-R20 PolarHBondContact N-O 2.87Å; A17-R20 PolarHBondContact O-N 2.96Å; A17-R20 VanDerWaalsContact O-O 3.05Å |
| 21 | S | 69.4 | Low | 66.1 | Low | 64 Ų | 64 | 65.8 Ų | 65.8 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.1 | 169.2 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | S16 | S16-S21 PolarHBondContact OG-OG 3.15Å |
| 22 | L | 75.1 | Confident | 65 | Low | 30 Ų | 30 | 65.8 Ų | 65.8 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.6 | 178.5 | -59.5 | 175.2 | 0 | 0 | 0 | 109 | L15 I65 I87 | L15-L22 PolarHBondContact N-O 2.87Å; L15-L22 PolarHBondContact O-N 2.73Å; L22-I65 HydrophobicContact CD2-CG2 4.44Å; L22-I87 HydrophobicContact CD1-CD1 4.13Å |
| 23 | Y | 79.6 | Confident | 63.7 | Low | 115 Ų | 115 | 61.6 Ų | 61.6 | 45% | 0.451 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.3 | 177.8 | -60.6 | -84.8 | 0 | 0 | 0 | 109.5 | S14 I65 I66 | S14-Y23 WeakPolarHBondContact OG-CE1 3.18Å; Y23-I65 WeakPolarHBondContact O-CA 3.49Å; Y23-I66 PolarHBondContact O-N 2.83Å |
| 24 | L | 74.4 | Confident | 62.2 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132 | 178.9 | -68.3 | 160.4 | 0 | 0 | 0 | 110 | I12 V13 L15 L26 I65 A73 L75 I85 | I12-L24 CarbonylContact C-O 3.42Å; I12-L24 VanDerWaalsContact CA-O 3.23Å; I12-L24 WeakPolarHBondContact CA-O 3.38Å; V13-L24 HydrophobicContact CB-CB 4.34Å; V13-L24 HydrophobicContact CB-CD1 4.42Å; V13-L24 PolarHBondContact N-O 3.17Å; V13-L24 PolarHBondContact O-N 2.88Å; L15-L24 HydrophobicContact CD1-CD1 3.43Å; L15-L24 VanDerWaalsContact CD1-CD1 3.43Å; L15-L24 HydrophobicContact CG-CD1 4.11Å; L24-L26 HydrophobicContact CB-CD1 4.35Å; L24-L26 HydrophobicContact CB-CD2 4.06Å; L24-L26 HydrophobicContact CB-CG 4.03Å; L24-I65 HydrophobicContact CD2-CD1 4.42Å; L24-I65 HydrophobicContact CD2-CG1 3.52Å; L24-I65 HydrophobicContact CG-CG1 4.36Å; L24-A73 HydrophobicContact CD2-CB 3.57Å; L24-L75 HydrophobicContact CD1-CD1 3.83Å; L24-I85 HydrophobicContact CD1-CD1 3.87Å; L24-I85 HydrophobicContact CD2-CD1 4.32Å; L24-I85 HydrophobicContact CD2-CG1 4.34Å; L24-I85 HydrophobicContact CD2-CG2 4.22Å |
| 25 | N | 78.9 | Confident | 60.6 | Low | 45 Ų | 45 | 63.7 Ų | 63.7 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114 | 169.2 | -171.9 | 8.7 | 0 | 0 | 0 | 108.8 | G63 F64 I66 | N25-G63 WeakPolarHBondContact O-CA 3.49Å; N25-F64 PolarHBondContact N-O 3.02Å; N25-F64 PolarHBondContact O-N 3.25Å; N25-I66 HydrophobicContact CB-CD1 4.31Å; N25-I66 HydrophobicContact CB-CG1 4.14Å |
| 26 | L | 66.3 | Low | 59.2 | Low | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145 | -166.6 | -55 | 176.9 | 0 | 0 | 0 | 112.7 | N10 V11 V13 L24 A73 L75 | N10-L26 WeakPolarHBondContact CA-O 3.25Å; V11-L26 PolarHBondContact N-O 3.04Å; V11-L26 WeakPolarHBondContact O-CB 3.39Å; V11-L26 PolarHBondContact O-N 3.37Å; V13-L26 HydrophobicContact CB-CD1 4.28Å; V13-L26 HydrophobicContact CG2-CD1 3.72Å; L24-L26 HydrophobicContact CB-CD1 4.35Å; L24-L26 HydrophobicContact CB-CD2 4.06Å; L24-L26 HydrophobicContact CB-CG 4.03Å; L26-A73 HydrophobicContact CD2-CB 3.91Å; L26-L75 HydrophobicContact CD1-CD1 3.6Å; L26-L75 HydrophobicContact CD2-CD1 3.93Å; L26-L75 HydrophobicContact CG-CD1 4.43Å |
| 27 | T | 65.3 | Low | 58.7 | Low | 53 Ų | 53 | 62.9 Ų | 62.9 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.1 | -173.3 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | N10 Y61 S62 | N10-T27 WeakPolarHBondContact OD1-CG2 2.99Å; T27-Y61 CarbonylContact O-C 3.43Å; T27-Y61 WeakPolarHBondContact O-CA 3.27Å; T27-S62 PolarHBondContact N-O 3.34Å; T27-S62 PolarHBondContact O-N 2.72Å; T27-S62 PolarHBondContact OG1-O 3.15Å |
| 28 | R | 61.2 | Low | 58.4 | Low | 94 Ų | 94 | 63.2 Ų | 63.2 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.5 | -170.6 | -141 | 175.9 | -156.7 | 151.9 | 7 | 112.6 | E7 L58 F60 Y61 | E7-R28 IonicContact OE2-CZ 3.79Å; E7-R28 IonicContact OE2-NH1 3.13Å; E7-R28 PolarHBondContact OE2-NH1 2.83Å; E7-R28 IonicContact OE2-NH2 2.74Å; R28-L58 PolarHBondContact NE-O 3.47Å; R28-F60 CarbonylContact C-O 3.54Å; R28-F60 VanDerWaalsContact CA-O 3.29Å; R28-F60 WeakPolarHBondContact CA-O 3.43Å; R28-F60 WeakPolarHBondContact CG-O 3.05Å; R28-Y61 HydrophobicContact CB-CD1 4.13Å; R28-Y61 HydrophobicContact CB-CE1 4Å; R28-Y61 HydrophobicContact CG-CD1 4.23Å; R28-Y61 HydrophobicContact CG-CE1 3.88Å; R28-Y61 HydrophobicContact CG-CE2 4.27Å; R28-Y61 VanDerWaalsContact CZ-OH 3.29Å; R28-Y61 PolarHBondContact NE-OH 3.27Å; R28-Y61 PolarHBondContact NH2-OH 3.02Å |
| 29 | D | 49.4 | Very low | 57.9 | Low | 31 Ų | 31 | 58.2 Ų | 58.2 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | trans | -105.4 | 142 | -166 | -158 | -26 | 0 | 0 | 0 | 115.7 | K31 F60 S62 R396 | D29-K31 WeakPolarHBondContact OD1-CD 3.47Å; D29-K31 WeakPolarHBondContact OD1-CE 3.31Å; D29-K31 VanDerWaalsContact OD1-CG 3.3Å; D29-K31 WeakPolarHBondContact OD1-CG 3.33Å; D29-K31 IonicContact OD1-NZ 3.13Å; D29-K31 PolarHBondContact OD1-NZ 3.24Å; D29-K31 VanDerWaalsContact OD1-NZ 3.1Å; D29-K31 IonicContact OD2-NZ 3.2Å; D29-K31 PolarHBondContact OD2-NZ 3.06Å; D29-F60 PolarHBondContact N-O 3.3Å; D29-S62 PolarHBondContact OD2-OG 2.91Å; D29-R396 IonicContact OD1-NH1 2.69Å; D29-R396 PolarHBondContact OD1-NH1 2.9Å | ||
| 30 | R | 51.9 | Low | 58.3 | Low | 107 Ų | 107 | 54.8 Ų | 54.8 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | trans | -153 | 38.7 | -166.1 | -55.5 | -177.9 | 179.1 | 160.9 | 1.4 | 118 | Y395 | R30-Y395 CarbonylContact C-O 3.42Å; R30-Y395 CarbonylContact O-C 3.53Å | ||
| 31 | K | 47.4 | Very low | 58.6 | Low | 106 Ų | 106 | 47 Ų | 47 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -116.1 | 49 | -160.8 | -48.1 | 153.5 | -168.7 | 148.3 | 0 | 121.3 | D29 R396 | D29-K31 WeakPolarHBondContact OD1-CD 3.47Å; D29-K31 WeakPolarHBondContact OD1-CE 3.31Å; D29-K31 VanDerWaalsContact OD1-CG 3.3Å; D29-K31 WeakPolarHBondContact OD1-CG 3.33Å; D29-K31 IonicContact OD1-NZ 3.13Å; D29-K31 PolarHBondContact OD1-NZ 3.24Å; D29-K31 VanDerWaalsContact OD1-NZ 3.1Å; D29-K31 IonicContact OD2-NZ 3.2Å; D29-K31 PolarHBondContact OD2-NZ 3.06Å; K31-R396 VanDerWaalsContact C-CZ 3.45Å; K31-R396 VanDerWaalsContact N-CG 3.28Å; K31-R396 PolarHBondContact O-NE 3.21Å; K31-R396 PolarHBondContact O-NH2 3.26Å |
| 32 | I | 46 | Very low | 58.6 | Low | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -141.8 | -81.8 | -179.5 | -89.7 | 156.2 | 0 | 0 | 0 | 111.7 | S34 D198 K213 Y395 R396 | I32-S34 PolarHBondContact O-N 3.17Å; I32-D198 WeakPolarHBondContact CD1-OD2 3.31Å; I32-K213 WeakPolarHBondContact O-CB 3.11Å; I32-K213 VanDerWaalsContact O-CD 3.24Å; I32-K213 WeakPolarHBondContact O-CD 3.42Å; I32-K213 WeakPolarHBondContact O-CG 3.17Å; I32-Y395 PolarHBondContact N-O 2.84Å; I32-R396 HydrophobicContact CB-CG 3.73Å |
| 33 | L | 46.3 | Very low | 58.2 | Low | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -65.4 | 137.5 | -175.3 | -68.7 | -160.2 | 0 | 0 | 0 | 109.7 | F37 Y395 M397 | L33-F37 HydrophobicContact CD1-CD1 4.15Å; L33-F37 HydrophobicContact CD1-CG 4.22Å; L33-Y395 CarbonylContact O-C 3.24Å; L33-Y395 VanDerWaalsContact O-C 3.28Å; L33-M397 HydrophobicContact CD1-CB 3.64Å; L33-M397 HydrophobicContact CD1-CE 4.13Å; L33-M397 HydrophobicContact CD1-CG 3.89Å; L33-M397 HydrophobicContact CG-CB 4.19Å |
| 34 | S | 43 | Very low | 56.8 | Low | 27 Ų | 27 | 52.3 Ų | 52.3 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | trans | -62.4 | 153 | 178.5 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | I32 D36 F37 N215 | I32-S34 PolarHBondContact O-N 3.17Å; S34-D36 PolarHBondContact O-N 3.01Å; S34-D36 VanDerWaalsContact O-N 3.16Å; S34-F37 WeakPolarHBondContact O-CB 3.49Å; S34-F37 PolarHBondContact O-N 3.33Å; S34-F37 VanDerWaalsContact O-N 3.12Å; S34-F37 WeakPolarHBondContact OG-CA 3.48Å; S34-F37 PolarHBondContact OG-N 2.74Å; S34-N215 PolarHBondContact OG-O 2.76Å | ||
| 35 | R | 39 | Very low | 55.4 | Low | 101 Ų | 101 | 59.1 Ų | 59.1 | 38% | 0.381 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31 | 179.5 | -163 | 161.8 | -150.2 | -170.3 | 0.3 | 113 | R393 P394 Y395 | R35-R393 HydrophobicContact CB-CB 3.79Å; R35-P394 WeakPolarHBondContact CB-O 3.47Å; R35-P394 WeakPolarHBondContact CD-O 3.02Å; R35-P394 WeakPolarHBondContact CG-O 3.45Å; R35-P394 PolarHBondContact NE-O 3.3Å; R35-Y395 HydrophobicContact CB-CD2 4.15Å; R35-Y395 HydrophobicContact CB-CE2 4.47Å; R35-Y395 HydrophobicContact CB-CG 4.49Å; R35-Y395 HydrophobicContact CG-CD1 4.49Å; R35-Y395 HydrophobicContact CG-CD2 3.55Å; R35-Y395 HydrophobicContact CG-CE1 4.39Å; R35-Y395 HydrophobicContact CG-CE2 3.42Å; R35-Y395 VanDerWaalsContact CG-CE2 3.42Å; R35-Y395 HydrophobicContact CG-CG 4.06Å; R35-Y395 PolarHBondContact NE-OH 2.99Å; R35-Y395 PolarHBondContact NH2-OH 3.03Å |
| 36 | D | 44.2 | Very low | 54 | Low | 80 Ų | 80 | 65.8 Ų | 65.8 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 30.3 | -177.4 | -48 | -64.2 | 0 | 0 | 0 | 111.6 | S34 V38 R393 | S34-D36 PolarHBondContact O-N 3.01Å; S34-D36 VanDerWaalsContact O-N 3.16Å; D36-V38 WeakPolarHBondContact O-CG2 3.4Å; D36-V38 PolarHBondContact O-N 2.84Å; D36-V38 VanDerWaalsContact O-N 3.15Å; D36-R393 WeakPolarHBondContact OD2-CD 3.44Å; D36-R393 IonicContact OD2-CZ 3.6Å; D36-R393 IonicContact OD2-NE 2.68Å; D36-R393 IonicContact OD2-NH1 2.99Å; D36-R393 PolarHBondContact OD2-NH1 2.85Å |
| 37 | F | 51.3 | Low | 52.6 | Low | 13 Ų | 13 | 68.3 Ų | 68.3 | 6% | 0.057 | 32% | 0.319 | C | S | . | . | trans | -55.7 | 123 | 178.6 | 174.7 | -99.9 | 0 | 0 | 0 | 110.5 | L33 S34 I39 L53 L191 V214 L217 | L33-F37 HydrophobicContact CD1-CD1 4.15Å; L33-F37 HydrophobicContact CD1-CG 4.22Å; S34-F37 WeakPolarHBondContact O-CB 3.49Å; S34-F37 PolarHBondContact O-N 3.33Å; S34-F37 VanDerWaalsContact O-N 3.12Å; S34-F37 WeakPolarHBondContact OG-CA 3.48Å; S34-F37 PolarHBondContact OG-N 2.74Å; F37-I39 HydrophobicContact CE1-CD1 4.09Å; F37-I39 HydrophobicContact CE1-CG1 3.81Å; F37-I39 HydrophobicContact CZ-CG1 3.92Å; F37-L53 HydrophobicContact CD1-CD1 4.12Å; F37-L53 HydrophobicContact CE1-CD1 4.29Å; F37-L191 HydrophobicContact CZ-CD2 4.12Å; F37-V214 HydrophobicContact CE2-CG1 4.09Å; F37-L217 HydrophobicContact CZ-CB 4.41Å | ||
| 38 | V | 52.8 | Low | 51.9 | Low | 18 Ų | 18 | 69.4 Ų | 69.4 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.2 | -175.8 | 159.8 | 0 | 0 | 0 | 0 | 109.3 | D36 E40 V50 H52 L217 | D36-V38 WeakPolarHBondContact O-CG2 3.4Å; D36-V38 PolarHBondContact O-N 2.84Å; D36-V38 VanDerWaalsContact O-N 3.15Å; V38-E40 HydrophobicContact CG1-CB 4.41Å; V38-V50 HydrophobicContact CG1-CB 4.41Å; V38-V50 HydrophobicContact CG1-CG1 3.76Å; V38-V50 HydrophobicContact CG1-CG2 4.22Å; V38-V50 HydrophobicContact CG2-CG1 3.98Å; V38-H52 WeakPolarHBondContact CG2-CE1 3.43Å; V38-L217 PolarHBondContact O-N 2.03Å |
| 39 | I | 55.3 | Low | 51.2 | Low | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.5 | 163.2 | -60.6 | 150.8 | 0 | 0 | 0 | 107.1 | F37 V50 R51 Q187 | F37-I39 HydrophobicContact CE1-CD1 4.09Å; F37-I39 HydrophobicContact CE1-CG1 3.81Å; F37-I39 HydrophobicContact CZ-CG1 3.92Å; I39-V50 WeakPolarHBondContact O-CA 2.97Å; I39-R51 PolarHBondContact N-O 2.97Å; I39-R51 PolarHBondContact O-N 2.94Å; I39-Q187 HydrophobicContact CD1-CG 4.34Å |
| 40 | E | 64.1 | Low | 51 | Low | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.9 | -176.5 | -167.4 | -179.2 | 134.9 | 0 | 0 | 109.9 | V38 R42 V48 K216 L217 V218 L219 | V38-E40 HydrophobicContact CG1-CB 4.41Å; E40-R42 HydrophobicContact CG-CG 4.49Å; E40-R42 IonicContact OE1-CZ 3.93Å; E40-R42 IonicContact OE1-NE 3.66Å; E40-R42 PolarHBondContact OE1-NE 3.33Å; E40-R42 IonicContact OE1-NH2 3.12Å; E40-R42 PolarHBondContact OE1-NH2 2.8Å; E40-V48 HydrophobicContact CG-CG1 3.4Å; E40-K216 HydrophobicContact CB-CD 4.33Å; E40-K216 WeakPolarHBondContact OE2-CD 3.34Å; E40-K216 WeakPolarHBondContact OE2-CE 3.45Å; E40-K216 IonicContact OE2-NZ 3.88Å; E40-K216 PolarHBondContact OE2-NZ 2.92Å; E40-L217 PolarHBondContact N-O 3.03Å; E40-V218 HydrophobicContact CB-CG2 4.4Å; E40-V218 WeakPolarHBondContact O-CA 3.27Å; E40-L219 PolarHBondContact O-N 2.72Å |
| 41 | E | 70.7 | Confident | 50.8 | Low | 22 Ų | 22 | 69.8 Ų | 69.8 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.7 | 173.6 | -66 | 168.5 | -129.6 | 0 | 0 | 109.3 | V48 V49 R51 L219 | E41-V48 WeakPolarHBondContact O-CA 3.45Å; E41-V49 HydrophobicContact CB-CB 4.28Å; E41-V49 PolarHBondContact N-O 2.84Å; E41-V49 PolarHBondContact O-N 2.86Å; E41-R51 IonicContact OE1-CZ 3.36Å; E41-R51 VanDerWaalsContact OE1-CZ 3.26Å; E41-R51 IonicContact OE1-NE 3.38Å; E41-R51 PolarHBondContact OE1-NE 2.96Å; E41-R51 VanDerWaalsContact OE1-NE 3.1Å; E41-R51 IonicContact OE1-NH2 3.28Å; E41-R51 PolarHBondContact OE1-NH2 3.31Å; E41-R51 IonicContact OE2-NH2 3.97Å; E41-L219 HydrophobicContact CG-CB 4.42Å; E41-L219 HydrophobicContact CG-CD1 4.24Å |
| 42 | R | 68.7 | Low | 50.4 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 17% | 0.166 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.6 | 179.3 | -66.6 | -169.2 | 177.4 | -171.1 | 2.4 | 111.2 | E40 L219 L220 H221 E247 | E40-R42 HydrophobicContact CG-CG 4.49Å; E40-R42 IonicContact OE1-CZ 3.93Å; E40-R42 IonicContact OE1-NE 3.66Å; E40-R42 PolarHBondContact OE1-NE 3.33Å; E40-R42 IonicContact OE1-NH2 3.12Å; E40-R42 PolarHBondContact OE1-NH2 2.8Å; R42-L219 PolarHBondContact N-O 2.94Å; R42-L220 HydrophobicContact CB-CD2 4.26Å; R42-L220 HydrophobicContact CG-CD2 4.43Å; R42-H221 WeakPolarHBondContact O-CB 3.37Å; R42-H221 PolarHBondContact O-N 3.43Å; R42-E247 IonicContact CZ-OE2 3.74Å; R42-E247 VanDerWaalsContact CZ-OE2 3.26Å; R42-E247 IonicContact NH1-OE1 2.84Å; R42-E247 IonicContact NH1-OE2 3.77Å; R42-E247 PolarHBondContact NH1-OE2 2.03Å; R42-E247 IonicContact NH2-OE2 2.8Å; R42-E247 PolarHBondContact NH2-OE2 3.12Å |
| 43 | L | 66.3 | Low | 50.3 | Low | 64 Ų | 64 | 74.3 Ų | 74.3 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | trans | -97 | 168.1 | -175.4 | -66.5 | 166.5 | 0 | 0 | 0 | 113 | N45 Q46 S47 V49 H221 | L43-N45 PolarHBondContact O-N 3.27Å; L43-Q46 PolarHBondContact O-N 2.98Å; L43-S47 PolarHBondContact N-O 2.92Å; L43-S47 VanDerWaalsContact N-O 3.16Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å; L43-H221 HydrophobicContact CD2-CB 4.21Å | ||
| 44 | R | 51 | Low | 49.8 | Very low | 213 Ų | 213 | 77.9 Ų | 77.9 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -31.4 | -177.2 | -101 | -176.1 | 177.7 | -179.3 | -0.8 | 115.1 | T222 | R44-T222 HydrophobicContact CB-CG2 4.16Å; R44-T222 HydrophobicContact CG-CG2 3.28Å |
| 45 | N | 43.8 | Very low | 49.7 | Very low | 143 Ų | 143 | 78.9 Ų | 78.9 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 21.3 | -172 | -63.2 | 5.9 | 0 | 0 | 0 | 113.5 | L43 S47 | L43-N45 PolarHBondContact O-N 3.27Å; N45-S47 PolarHBondContact O-N 2.93Å |
| 46 | Q | 49.4 | Very low | 49.6 | Very low | 184 Ų | 184 | 83.8 Ų | 83.8 | 86% | 0.86 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 60.3 | 8.2 | -171.6 | -52.6 | -177.1 | 7.1 | 0 | 0 | 115 | L43 V48 | L43-Q46 PolarHBondContact O-N 2.98Å; Q46-V48 PolarHBondContact O-N 3.38Å |
| 47 | S | 37.1 | Very low | 49.7 | Very low | 57 Ų | 57 | 87.9 Ų | 87.9 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | trans | -66.4 | 129.3 | 168.4 | 44.3 | 0 | 0 | 0 | 0 | 110 | L43 N45 | L43-S47 PolarHBondContact N-O 2.92Å; L43-S47 VanDerWaalsContact N-O 3.16Å; N45-S47 PolarHBondContact O-N 2.93Å | ||
| 48 | V | 50.3 | Low | 49.7 | Very low | 76 Ų | 76 | 89.3 Ų | 89.3 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.3 | 179.8 | -177 | 0 | 0 | 0 | 0 | 108 | E40 E41 Q46 V50 | E40-V48 HydrophobicContact CG-CG1 3.4Å; E41-V48 WeakPolarHBondContact O-CA 3.45Å; Q46-V48 PolarHBondContact O-N 3.38Å; V48-V50 HydrophobicContact CG1-CG2 4.15Å |
| 49 | V | 48 | Very low | 49.8 | Very low | 58 Ų | 58 | 89 Ų | 89 | 35% | 0.352 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.5 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | E41 L43 | E41-V49 HydrophobicContact CB-CB 4.28Å; E41-V49 PolarHBondContact N-O 2.84Å; E41-V49 PolarHBondContact O-N 2.86Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å |
| 50 | V | 44.9 | Very low | 49.9 | Very low | 73 Ų | 73 | 91.2 Ų | 91.2 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.1 | -174.9 | 167.6 | 0 | 0 | 0 | 0 | 109.3 | V38 I39 V48 | V38-V50 HydrophobicContact CG1-CB 4.41Å; V38-V50 HydrophobicContact CG1-CG1 3.76Å; V38-V50 HydrophobicContact CG1-CG2 4.22Å; V38-V50 HydrophobicContact CG2-CG1 3.98Å; I39-V50 WeakPolarHBondContact O-CA 2.97Å; V48-V50 HydrophobicContact CG1-CG2 4.15Å |
| 51 | R | 47.1 | Very low | 49.8 | Very low | 109 Ų | 109 | 91.7 Ų | 91.7 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.6 | 177.7 | -54.6 | -174.6 | -163.7 | -163.2 | 6.4 | 111.3 | I39 E41 | I39-R51 PolarHBondContact N-O 2.97Å; I39-R51 PolarHBondContact O-N 2.94Å; E41-R51 IonicContact OE1-CZ 3.36Å; E41-R51 VanDerWaalsContact OE1-CZ 3.26Å; E41-R51 IonicContact OE1-NE 3.38Å; E41-R51 PolarHBondContact OE1-NE 2.96Å; E41-R51 VanDerWaalsContact OE1-NE 3.1Å; E41-R51 IonicContact OE1-NH2 3.28Å; E41-R51 PolarHBondContact OE1-NH2 3.31Å; E41-R51 IonicContact OE2-NH2 3.97Å |
| 52 | H | 39.2 | Very low | 49.4 | Very low | 134 Ų | 134 | 91.7 Ų | 91.7 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | trans | -125.9 | 163 | -178.8 | -70.1 | -76.1 | 0 | 0 | 0 | 112.6 | V38 | V38-H52 WeakPolarHBondContact CG2-CE1 3.43Š| ||
| 53 | L | 43.3 | Very low | 49.5 | Very low | 99 Ų | 99 | 90.3 Ų | 90.3 | 52% | 0.518 | 45% | 0.452 | S | S | . | . | trans | -124.2 | 158.3 | -176.3 | -80 | 146.1 | 0 | 0 | 0 | 113.3 | F37 M397 | F37-L53 HydrophobicContact CD1-CD1 4.12Å; F37-L53 HydrophobicContact CE1-CD1 4.29Å; L53-M397 HydrophobicContact CB-SD 3.99Å; L53-M397 HydrophobicContact CD1-CE 3.43Å; L53-M397 VanDerWaalsContact CD1-CE 3.43Å; L53-M397 HydrophobicContact CD1-SD 3.75Å; L53-M397 HydrophobicContact CD2-CE 3.97Å; L53-M397 HydrophobicContact CD2-SD 3.7Å; L53-M397 HydrophobicContact CG-CE 4.22Å; L53-M397 HydrophobicContact CG-SD 4Å | ||
| 54 | S | 37.6 | Very low | 49.7 | Very low | 98 Ų | 98 | 92.1 Ų | 92.1 | 69% | 0.685 | 46% | 0.458 | S | S | * | . | trans | -110.6 | 164.1 | -169.7 | -171.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 55 | M | 39.7 | Very low | 50.9 | Low | 49 Ų | 49 | 82.2 Ų | 82.2 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | trans | -127.9 | 5.1 | -153.5 | -87.9 | -66.5 | -45.7 | 0 | 0 | 118.1 | Q57 L58 Y395 | M55-Q57 VanDerWaalsContact C-N 3.29Å; M55-Q57 PolarHBondContact O-N 2.02Å; M55-L58 HydrophobicContact CE-CD1 3.44Å; M55-L58 VanDerWaalsContact CE-CD1 3.44Å; M55-L58 HydrophobicContact CE-CG 4.45Å; M55-L58 HydrophobicContact SD-CD1 4.08Å; M55-Y395 HydrophobicContact CB-CE1 4.48Å; M55-Y395 HydrophobicContact CE-CD1 3.18Å; M55-Y395 HydrophobicContact CE-CE1 3.35Å; M55-Y395 HydrophobicContact CE-CG 3.89Å; M55-Y395 HydrophobicContact CG-CD1 3.96Å; M55-Y395 HydrophobicContact CG-CD2 3.62Å; M55-Y395 HydrophobicContact CG-CE1 3.74Å; M55-Y395 HydrophobicContact CG-CE2 3.37Å; M55-Y395 HydrophobicContact CG-CG 3.97Å; M55-Y395 VanDerWaalsContact CG-CZ 3.46Å; M55-Y395 HydrophobicContact SD-CD1 3.34Å; M55-Y395 WeakPolarHBondContact SD-CD1 3.19Å; M55-Y395 HydrophobicContact SD-CD2 3.6Å; M55-Y395 HydrophobicContact SD-CE1 3.73Å; M55-Y395 HydrophobicContact SD-CE2 3.96Å; M55-Y395 HydrophobicContact SD-CG 3.34Å | ||
| 56 | K | 37.8 | Very low | 52 | Low | 203 Ų | 203 | 78.7 Ų | 78.7 | 88% | 0.883 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -86.4 | 19.4 | -179 | -70.3 | -171.8 | 173.8 | -175 | 0 | 114.6 | ||
| 57 | Q | 44.6 | Very low | 52.3 | Low | 167 Ų | 167 | 77.5 Ų | 77.5 | 78% | 0.78 | 40% | 0.4 | S | S | * | . | trans | -126.7 | 33 | -166.9 | -68.1 | 178.1 | -49.5 | 0 | 0 | 114.8 | M55 | M55-Q57 VanDerWaalsContact C-N 3.29Å; M55-Q57 PolarHBondContact O-N 2.02Å | ||
| 58 | L | 51.4 | Low | 53.5 | Low | 42 Ų | 42 | 79.4 Ų | 79.4 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | trans | -117.5 | 124.5 | -174.8 | -64.6 | 177.6 | 0 | 0 | 0 | 114.2 | R28 M55 F60 | R28-L58 PolarHBondContact NE-O 3.47Å; M55-L58 HydrophobicContact CE-CD1 3.44Å; M55-L58 VanDerWaalsContact CE-CD1 3.44Å; M55-L58 HydrophobicContact CE-CG 4.45Å; M55-L58 HydrophobicContact SD-CD1 4.08Å; L58-F60 HydrophobicContact CD2-CD2 4.32Å; L58-F60 HydrophobicContact CD2-CE2 4.22Å | ||
| 59 | C | 56 | Low | 53.7 | Low | 11 Ų | 11 | 82.1 Ų | 82.1 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -134 | 21.1 | -169.2 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | S77 C78 | C59-S77 PolarHBondContact O-N 2.99Å; C59-S77 PolarHBondContact O-OG 3.05Å; C59-C78 HydrophobicContact CB-CB 3.97Å; C59-C78 WeakPolarHBondContact CB-SG 3.49Å; C59-C78 WeakPolarHBondContact SG-CB 3.36Å; C59-C78 CovalentContact SG-SG 2.02Å; C59-C78 PolarHBondContact SG-SG 3.33Å | ||
| 60 | F | 56.9 | Low | 54.1 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 25% | 0.246 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.8 | -172.3 | -52.5 | -77.3 | 0 | 0 | 0 | 112.3 | R28 D29 L58 H398 | R28-F60 CarbonylContact C-O 3.54Å; R28-F60 VanDerWaalsContact CA-O 3.29Å; R28-F60 WeakPolarHBondContact CA-O 3.43Å; R28-F60 WeakPolarHBondContact CG-O 3.05Å; D29-F60 PolarHBondContact N-O 3.3Å; L58-F60 HydrophobicContact CD2-CD2 4.32Å; L58-F60 HydrophobicContact CD2-CE2 4.22Å; F60-H398 AromaticContact CE1-CE1 3.67Å; F60-H398 AromaticContact CE1-NE2 3.61Å; F60-H398 AromaticContact CZ-CD2 3.68Å; F60-H398 AromaticContact CZ-CE1 3.61Å; F60-H398 AromaticContact CZ-CG 3.93Å; F60-H398 AromaticContact CZ-ND1 3.88Å; F60-H398 AromaticContact CZ-NE2 3.47Å; F60-H398 WeakPolarHBondContact CZ-NE2 3.11Å |
| 61 | Y | 62 | Low | 54.9 | Low | 23 Ų | 23 | 83.1 Ų | 83.1 | 9% | 0.09 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.9 | -178 | -61.5 | -103 | 0 | 0 | 0 | 112.2 | V11 T27 R28 L75 S77 | V11-Y61 HydrophobicContact CG2-CE1 3.98Å; T27-Y61 CarbonylContact O-C 3.43Å; T27-Y61 WeakPolarHBondContact O-CA 3.27Å; R28-Y61 HydrophobicContact CB-CD1 4.13Å; R28-Y61 HydrophobicContact CB-CE1 4Å; R28-Y61 HydrophobicContact CG-CD1 4.23Å; R28-Y61 HydrophobicContact CG-CE1 3.88Å; R28-Y61 HydrophobicContact CG-CE2 4.27Å; R28-Y61 VanDerWaalsContact CZ-OH 3.29Å; R28-Y61 PolarHBondContact NE-OH 3.27Å; R28-Y61 PolarHBondContact NH2-OH 3.02Å; Y61-L75 WeakPolarHBondContact CA-O 3.38Å; Y61-L75 WeakPolarHBondContact CB-O 3.31Å; Y61-L75 PolarHBondContact N-O 3.49Å; Y61-L75 PolarHBondContact O-N 2.77Å; Y61-L75 VanDerWaalsContact O-O 3.08Å; Y61-S77 WeakPolarHBondContact CE2-OG 3.45Å |
| 62 | S | 62 | Low | 55.4 | Low | 23 Ų | 23 | 82.7 Ų | 82.7 | 16% | 0.161 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.5 | 176.3 | 66.8 | 0 | 0 | 0 | 0 | 111 | T27 D29 A73 | T27-S62 PolarHBondContact N-O 3.34Å; T27-S62 PolarHBondContact O-N 2.72Å; T27-S62 PolarHBondContact OG1-O 3.15Å; D29-S62 PolarHBondContact OD2-OG 2.91Å; S62-A73 CarbonylContact C-O 3.54Å; S62-A73 WeakPolarHBondContact CA-O 3.49Å |
| 63 | G | 70.4 | Confident | 56.4 | Low | 15 Ų | 15 | 76.3 Ų | 76.3 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -157.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N25 A73 | N25-G63 WeakPolarHBondContact O-CA 3.49Å; G63-A73 PolarHBondContact N-O 2.82Å; G63-A73 PolarHBondContact O-N 3.47Å |
| 64 | F | 71.5 | Confident | 57.4 | Low | 102 Ų | 102 | 74.9 Ų | 74.9 | 45% | 0.447 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 164.5 | -175 | 55.2 | -90.5 | 0 | 0 | 0 | 111.7 | N25 S71 | N25-F64 PolarHBondContact N-O 3.02Å; N25-F64 PolarHBondContact O-N 3.25Å; F64-S71 WeakPolarHBondContact CB-O 3.44Å |
| 65 | I | 76 | Confident | 58.6 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.5 | 175.2 | -62.1 | 160.9 | 0 | 0 | 0 | 109.8 | L22 Y23 L24 N67 H68 S71 I85 I87 | L22-I65 HydrophobicContact CD2-CG2 4.44Å; Y23-I65 WeakPolarHBondContact O-CA 3.49Å; L24-I65 HydrophobicContact CD2-CD1 4.42Å; L24-I65 HydrophobicContact CD2-CG1 3.52Å; L24-I65 HydrophobicContact CG-CG1 4.36Å; I65-N67 PolarHBondContact O-N 3.05Å; I65-H68 HydrophobicContact CB-CB 4.37Å; I65-H68 PolarHBondContact O-N 3.46Å; I65-S71 WeakPolarHBondContact CB-OG 3.03Å; I65-S71 PolarHBondContact N-OG 2.02Å; I65-I85 HydrophobicContact CD1-CG2 3.68Å; I65-I85 HydrophobicContact CG1-CG2 4.32Å; I65-I87 HydrophobicContact CD1-CD1 3.41Å; I65-I87 VanDerWaalsContact CD1-CD1 3.41Å; I65-I87 HydrophobicContact CD1-CG1 3.63Å |
| 66 | I | 67.1 | Low | 59.6 | Low | 69 Ų | 69 | 69 Ų | 69 | 35% | 0.354 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 132.6 | 175.7 | -60.2 | 171.2 | 0 | 0 | 0 | 108.8 | I12 Y23 N25 H68 | I12-I66 HydrophobicContact CG2-CD1 4.41Å; Y23-I66 PolarHBondContact O-N 2.83Å; N25-I66 HydrophobicContact CB-CD1 4.31Å; N25-I66 HydrophobicContact CB-CG1 4.14Å; I66-H68 VanDerWaalsContact C-N 3.34Å |
| 67 | N | 55.7 | Low | 60.6 | Low | 159 Ų | 159 | 60.2 Ų | 60.2 | 85% | 0.85 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 8.9 | -170.1 | -57.8 | -19.2 | 0 | 0 | 0 | 117 | I65 | I65-N67 PolarHBondContact O-N 3.05Š|
| 68 | H | 61.8 | Low | 61 | Low | 98 Ų | 98 | 54.9 Ų | 54.9 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 93.1 | 168.2 | -85.5 | -73.9 | 0 | 0 | 0 | 111.6 | I65 I66 D70 S71 | I65-H68 HydrophobicContact CB-CB 4.37Å; I65-H68 PolarHBondContact O-N 3.46Å; I66-H68 VanDerWaalsContact C-N 3.34Å; H68-D70 VanDerWaalsContact C-N 3.29Å; H68-D70 PolarHBondContact O-N 3.07Å; H68-S71 WeakPolarHBondContact O-CB 3.24Å; H68-S71 PolarHBondContact O-N 3.16Å; H68-S71 PolarHBondContact O-OG 3.34Å |
| 69 | T | 53.8 | Low | 60.9 | Low | 132 Ų | 132 | 53.4 Ų | 53.4 | 81% | 0.81 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -26.8 | -174.9 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | S71 | T69-S71 VanDerWaalsContact C-N 3.3Å; T69-S71 PolarHBondContact O-N 2.82Å |
| 70 | D | 57.3 | Low | 61 | Low | 144 Ų | 144 | 53 Ų | 53 | 77% | 0.77 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 19.5 | -179 | -56.6 | -25.1 | 0 | 0 | 0 | 112.8 | H68 | H68-D70 VanDerWaalsContact C-N 3.29Å; H68-D70 PolarHBondContact O-N 3.07Å |
| 71 | S | 61.2 | Low | 61.1 | Low | 8 Ų | 8 | 50.7 Ų | 50.7 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143 | 178 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | F64 I65 H68 T69 Q86 | F64-S71 WeakPolarHBondContact CB-O 3.44Å; I65-S71 WeakPolarHBondContact CB-OG 3.03Å; I65-S71 PolarHBondContact N-OG 2.02Å; H68-S71 WeakPolarHBondContact O-CB 3.24Å; H68-S71 PolarHBondContact O-N 3.16Å; H68-S71 PolarHBondContact O-OG 3.34Å; T69-S71 VanDerWaalsContact C-N 3.3Å; T69-S71 PolarHBondContact O-N 2.82Å; S71-Q86 CarbonylContact C-O 3.5Å; S71-Q86 VanDerWaalsContact CA-O 3.23Å; S71-Q86 WeakPolarHBondContact CA-O 3.18Å; S71-Q86 WeakPolarHBondContact CB-O 3.48Å |
| 72 | L | 58.8 | Low | 61 | Low | 100 Ų | 100 | 51.7 Ų | 51.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.5 | 179.9 | -173 | 96.1 | 0 | 0 | 0 | 109.6 | I85 Q86 | L72-I85 CarbonylContact O-C 3.57Å; L72-I85 WeakPolarHBondContact O-CA 3.33Å; L72-Q86 PolarHBondContact N-O 3.48Å; L72-Q86 PolarHBondContact O-N 2.77Å |
| 73 | A | 60.2 | Low | 61.1 | Low | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L24 L26 S62 G63 L75 L84 I85 | L24-A73 HydrophobicContact CD2-CB 3.57Å; L26-A73 HydrophobicContact CD2-CB 3.91Å; S62-A73 CarbonylContact C-O 3.54Å; S62-A73 WeakPolarHBondContact CA-O 3.49Å; G63-A73 PolarHBondContact N-O 2.82Å; G63-A73 PolarHBondContact O-N 3.47Å; A73-L75 HydrophobicContact CB-CD1 4.33Å; A73-L84 CarbonylContact C-O 3.57Å; A73-L84 WeakPolarHBondContact CA-O 3.16Å; A73-I85 HydrophobicContact CB-CG1 4.16Å |
| 74 | S | 64 | Low | 60.5 | Low | 68 Ų | 68 | 54.1 Ų | 54.1 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 111.8 | 175 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | G83 L84 | S74-G83 CarbonylContact O-C 3.44Å; S74-G83 WeakPolarHBondContact O-CA 3.34Å; S74-L84 PolarHBondContact N-O 2.89Å; S74-L84 PolarHBondContact O-N 2.81Å |
| 75 | L | 61.6 | Low | 60.3 | Low | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 125.7 | -162.5 | -65.2 | 169.6 | 0 | 0 | 0 | 110.5 | L24 L26 Y61 A73 L81 T82 I85 I94 | L24-L75 HydrophobicContact CD1-CD1 3.83Å; L26-L75 HydrophobicContact CD1-CD1 3.6Å; L26-L75 HydrophobicContact CD2-CD1 3.93Å; L26-L75 HydrophobicContact CG-CD1 4.43Å; Y61-L75 WeakPolarHBondContact CA-O 3.38Å; Y61-L75 WeakPolarHBondContact CB-O 3.31Å; Y61-L75 PolarHBondContact N-O 3.49Å; Y61-L75 PolarHBondContact O-N 2.77Å; Y61-L75 VanDerWaalsContact O-O 3.08Å; A73-L75 HydrophobicContact CB-CD1 4.33Å; L75-L81 HydrophobicContact CD1-CD2 4Å; L75-T82 CarbonylContact C-O 3.47Å; L75-T82 WeakPolarHBondContact CA-O 2.98Å; L75-I85 HydrophobicContact CD1-CD1 4.48Å; L75-I85 HydrophobicContact CD1-CG1 4.38Å; L75-I85 HydrophobicContact CD2-CD1 4.46Å; L75-I85 HydrophobicContact CD2-CG1 4.23Å; L75-I94 HydrophobicContact CD2-CG2 3.3Å |
| 76 | S | 62 | Low | 59.5 | Low | 21 Ų | 21 | 51.6 Ų | 51.6 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 148.5 | 166.2 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | C78 L81 T82 | S76-C78 PolarHBondContact OG-N 2.99Å; S76-L81 WeakPolarHBondContact O-CA 3.47Å; S76-T82 PolarHBondContact N-O 2.94Å; S76-T82 PolarHBondContact O-N 3.37Å |
| 77 | S | 57.8 | Low | 59.7 | Low | 17 Ų | 17 | 50.4 Ų | 50.4 | 12% | 0.119 | 29% | 0.288 | C | S | . | . | trans | -109.4 | -0.4 | 166.2 | 83 | 0 | 0 | 0 | 0 | 113.5 | C59 Y61 G79 G80 | C59-S77 PolarHBondContact O-N 2.99Å; C59-S77 PolarHBondContact O-OG 3.05Å; Y61-S77 WeakPolarHBondContact CE2-OG 3.45Å; S77-G79 PolarHBondContact O-N 2.79Å; S77-G80 CarbonylContact C-O 3.55Å; S77-G80 WeakPolarHBondContact CA-O 3.31Å; S77-G80 PolarHBondContact O-N 2.91Å | ||
| 78 | C | 53.9 | Low | 60.3 | Low | 55 Ų | 55 | 45 Ų | 45 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 104.6 | 173.9 | -87.9 | 0 | 0 | 0 | 0 | 109.5 | C59 S76 P102 | C59-C78 HydrophobicContact CB-CB 3.97Å; C59-C78 WeakPolarHBondContact CB-SG 3.49Å; C59-C78 WeakPolarHBondContact SG-CB 3.36Å; C59-C78 CovalentContact SG-SG 2.02Å; C59-C78 PolarHBondContact SG-SG 3.33Å; S76-C78 PolarHBondContact OG-N 2.99Å; C78-P102 HydrophobicContact CB-CB 4.08Å |
| 79 | G | 49.9 | Very low | 60.1 | Low | 12 Ų | 12 | 47.2 Ų | 47.2 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 25.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S77 Y100 | S77-G79 PolarHBondContact O-N 2.79Å; G79-Y100 WeakPolarHBondContact CA-O 3.29Å |
| 80 | G | 57.6 | Low | 60.4 | Low | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 114.1 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S77 T82 | S77-G80 CarbonylContact C-O 3.55Å; S77-G80 WeakPolarHBondContact CA-O 3.31Å; S77-G80 PolarHBondContact O-N 2.91Å; G80-T82 PolarHBondContact O-N 2.86Å |
| 81 | L | 58.8 | Low | 60.7 | Low | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -82.2 | 103.5 | -176 | -140.1 | 93.1 | 0 | 0 | 0 | 110.4 | V13 L75 S76 I94 F106 H111 | V13-L81 HydrophobicContact CG1-CD2 3.94Å; V13-L81 HydrophobicContact CG2-CD1 4.4Å; L75-L81 HydrophobicContact CD1-CD2 4Å; S76-L81 WeakPolarHBondContact O-CA 3.47Å; L81-I94 HydrophobicContact CD2-CD1 4.15Å; L81-F106 HydrophobicContact CD1-CB 4.39Å; L81-F106 HydrophobicContact CD1-CD2 3.63Å; L81-F106 HydrophobicContact CD1-CE2 4.1Å; L81-F106 HydrophobicContact CD1-CG 3.94Å; L81-H111 PolarHBondContact O-CD2 3.13Å; L81-H111 VanDerWaalsContact O-CD2 3.29Å | ||
| 82 | T | 59.4 | Low | 60.9 | Low | 45 Ų | 45 | 37.3 Ų | 37.3 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.3 | -175.6 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | L75 S76 G80 F93 I94 Q95 P96 | L75-T82 CarbonylContact C-O 3.47Å; L75-T82 WeakPolarHBondContact CA-O 2.98Å; S76-T82 PolarHBondContact N-O 2.94Å; S76-T82 PolarHBondContact O-N 3.37Å; G80-T82 PolarHBondContact O-N 2.86Å; T82-F93 HydrophobicContact CG2-CZ 4.31Å; T82-I94 CarbonylContact C-O 3.48Å; T82-I94 VanDerWaalsContact CA-O 3.3Å; T82-I94 WeakPolarHBondContact CA-O 3.22Å; T82-Q95 HydrophobicContact CG2-CB 4.39Å; T82-P96 WeakPolarHBondContact OG1-CD 3.49Å |
| 83 | G | 64.9 | Low | 61.2 | Low | 11 Ų | 11 | 36.3 Ų | 36.3 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -157.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S74 F93 I94 | S74-G83 CarbonylContact O-C 3.44Å; S74-G83 WeakPolarHBondContact O-CA 3.34Å; G83-F93 WeakPolarHBondContact O-CA 3.36Å; G83-F93 VanDerWaalsContact O-CD2 3.27Å; G83-F93 WeakPolarHBondContact O-CD2 3.44Å; G83-I94 PolarHBondContact N-O 2.06Å; G83-I94 PolarHBondContact O-N 3.47Å |
| 84 | L | 57.1 | Low | 61.5 | Low | 77 Ų | 77 | 36.3 Ų | 36.3 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.3 | -166.2 | -170.6 | 70.9 | 0 | 0 | 0 | 111.8 | A73 S74 F93 | A73-L84 CarbonylContact C-O 3.57Å; A73-L84 WeakPolarHBondContact CA-O 3.16Å; S74-L84 PolarHBondContact N-O 2.89Å; S74-L84 PolarHBondContact O-N 2.81Å; L84-F93 HydrophobicContact CD1-CD2 4.3Å |
| 85 | I | 67.7 | Low | 61.5 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 109.1 | 174.7 | -56.5 | 162.4 | 0 | 0 | 0 | 107.5 | L15 L24 I65 L72 A73 L75 I87 L92 I94 | L15-I85 HydrophobicContact CD1-CD1 3.74Å; L24-I85 HydrophobicContact CD1-CD1 3.87Å; L24-I85 HydrophobicContact CD2-CD1 4.32Å; L24-I85 HydrophobicContact CD2-CG1 4.34Å; L24-I85 HydrophobicContact CD2-CG2 4.22Å; I65-I85 HydrophobicContact CD1-CG2 3.68Å; I65-I85 HydrophobicContact CG1-CG2 4.32Å; L72-I85 CarbonylContact O-C 3.57Å; L72-I85 WeakPolarHBondContact O-CA 3.33Å; A73-I85 HydrophobicContact CB-CG1 4.16Å; L75-I85 HydrophobicContact CD1-CD1 4.48Å; L75-I85 HydrophobicContact CD1-CG1 4.38Å; L75-I85 HydrophobicContact CD2-CD1 4.46Å; L75-I85 HydrophobicContact CD2-CG1 4.23Å; I85-I87 HydrophobicContact CG2-CG1 4.28Å; I85-L92 HydrophobicContact CB-CB 4.35Å; I85-L92 PolarHBondContact N-O 2.94Å; I85-L92 PolarHBondContact O-N 3.27Å; I85-I94 HydrophobicContact CD1-CG2 4.3Å |
| 86 | Q | 58.6 | Low | 61.6 | Low | 51 Ų | 51 | 37.5 Ų | 37.5 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.6 | 178.6 | 179.9 | 155.2 | 15.9 | 0 | 0 | 110.3 | S71 L72 G88 | S71-Q86 CarbonylContact C-O 3.5Å; S71-Q86 VanDerWaalsContact CA-O 3.23Å; S71-Q86 WeakPolarHBondContact CA-O 3.18Å; S71-Q86 WeakPolarHBondContact CB-O 3.48Å; L72-Q86 PolarHBondContact N-O 3.48Å; L72-Q86 PolarHBondContact O-N 2.77Å; Q86-G88 WeakPolarHBondContact CG-O 3.01Å; Q86-G88 PolarHBondContact NE2-O 3.14Å |
| 87 | I | 71.5 | Confident | 61.3 | Low | 43 Ų | 43 | 40.6 Ų | 40.6 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 88.7 | 179.8 | -47 | -177.4 | 0 | 0 | 0 | 108 | L22 I65 I85 E89 D90 L92 | L22-I87 HydrophobicContact CD1-CD1 4.13Å; I65-I87 HydrophobicContact CD1-CD1 3.41Å; I65-I87 VanDerWaalsContact CD1-CD1 3.41Å; I65-I87 HydrophobicContact CD1-CG1 3.63Å; I85-I87 HydrophobicContact CG2-CG1 4.28Å; I87-E89 PolarHBondContact O-N 3.19Å; I87-D90 PolarHBondContact N-O 3.46Å; I87-D90 PolarHBondContact O-N 2.59Å; I87-L92 HydrophobicContact CD1-CD1 3.64Å; I87-L92 HydrophobicContact CG1-CD1 3.87Å |
| 88 | G | 67.9 | Low | 61 | Low | 46 Ų | 46 | 41.9 Ų | 41.9 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -120.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q86 | Q86-G88 WeakPolarHBondContact CG-O 3.01Å; Q86-G88 PolarHBondContact NE2-O 3.14Å |
| 89 | E | 59 | Low | 60.5 | Low | 144 Ų | 144 | 48.8 Ų | 48.8 | 67% | 0.673 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -13.4 | 178.6 | -59.5 | -161.6 | 156.1 | 0 | 0 | 114.4 | I87 | I87-E89 PolarHBondContact O-N 3.19Š|
| 90 | D | 58.3 | Low | 60.4 | Low | 32 Ų | 32 | 52.6 Ų | 52.6 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134.4 | 175.5 | -80.3 | 15.8 | 0 | 0 | 0 | 110 | I87 R115 R117 | I87-D90 PolarHBondContact N-O 3.46Å; I87-D90 PolarHBondContact O-N 2.59Å; D90-R115 IonicContact OD2-CZ 3.49Å; D90-R115 IonicContact OD2-NE 3.92Å; D90-R115 PolarHBondContact OD2-NE 3.2Å; D90-R115 IonicContact OD2-NH2 3.82Å; D90-R115 PolarHBondContact OD2-NH2 3.32Å; D90-R117 WeakPolarHBondContact OD1-CG 3.3Å; D90-R117 IonicContact OD1-NE 2.72Å; D90-R117 IonicContact OD2-NE 3.79Å |
| 91 | S | 64 | Low | 59.8 | Low | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130 | 173.8 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | H116 | S91-H116 PolarHBondContact N-O 2.85Å; S91-H116 VanDerWaalsContact N-O 3.08Å; S91-H116 PolarHBondContact O-N 3.46Å |
| 92 | L | 66.5 | Low | 59 | Low | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.8 | 177.5 | -62.8 | 106 | 0 | 0 | 0 | 108.9 | F18 I85 I87 V114 R115 | F18-L92 HydrophobicContact CD2-CD2 3.84Å; F18-L92 HydrophobicContact CE2-CD2 3.48Å; F18-L92 VanDerWaalsContact CE2-CD2 3.48Å; F18-L92 HydrophobicContact CZ-CD2 4.46Å; I85-L92 HydrophobicContact CB-CB 4.35Å; I85-L92 PolarHBondContact N-O 2.94Å; I85-L92 PolarHBondContact O-N 3.27Å; I87-L92 HydrophobicContact CD1-CD1 3.64Å; I87-L92 HydrophobicContact CG1-CD1 3.87Å; L92-V114 CarbonylContact C-O 3.34Å; L92-V114 WeakPolarHBondContact CA-O 3.01Å; L92-R115 HydrophobicContact CD2-CB 4.11Å; L92-R115 HydrophobicContact CD2-CG 4.29Å; L92-R115 HydrophobicContact CG-CB 4.26Å; L92-R115 HydrophobicContact CG-CG 4.23Å |
| 93 | F | 64.5 | Low | 58.1 | Low | 80 Ų | 80 | 62.9 Ų | 62.9 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.9 | 172.3 | -165.3 | -103.8 | 0 | 0 | 0 | 109 | T82 G83 L84 Q95 L113 V114 | T82-F93 HydrophobicContact CG2-CZ 4.31Å; G83-F93 WeakPolarHBondContact O-CA 3.36Å; G83-F93 VanDerWaalsContact O-CD2 3.27Å; G83-F93 WeakPolarHBondContact O-CD2 3.44Å; L84-F93 HydrophobicContact CD1-CD2 4.3Å; F93-Q95 HydrophobicContact CD1-CB 4.49Å; F93-Q95 HydrophobicContact CE1-CB 4.1Å; F93-L113 CarbonylContact O-C 3.49Å; F93-L113 WeakPolarHBondContact O-CA 3.42Å; F93-V114 PolarHBondContact N-O 2.91Å; F93-V114 PolarHBondContact O-N 2.03Å |
| 94 | I | 67.4 | Low | 57.1 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.6 | 174 | -173.1 | 168.3 | 0 | 0 | 0 | 109.4 | L15 L75 L81 T82 G83 I85 H111 Q112 L113 | L15-I94 HydrophobicContact CD1-CD1 3.79Å; L15-I94 HydrophobicContact CD2-CD1 3.63Å; L15-I94 HydrophobicContact CG-CD1 4.39Å; L75-I94 HydrophobicContact CD2-CG2 3.3Å; L81-I94 HydrophobicContact CD2-CD1 4.15Å; T82-I94 CarbonylContact C-O 3.48Å; T82-I94 VanDerWaalsContact CA-O 3.3Å; T82-I94 WeakPolarHBondContact CA-O 3.22Å; G83-I94 PolarHBondContact N-O 2.06Å; G83-I94 PolarHBondContact O-N 3.47Å; I85-I94 HydrophobicContact CD1-CG2 4.3Å; I94-H111 HydrophobicContact CD1-CB 3.84Å; I94-H111 HydrophobicContact CG1-CB 3.74Å; I94-Q112 WeakPolarHBondContact CA-O 3.47Å; I94-L113 HydrophobicContact CB-CD2 4.33Å; I94-L113 HydrophobicContact CB-CG 4.13Å; I94-L113 HydrophobicContact CD1-CD1 4.06Å; I94-L113 HydrophobicContact CD1-CD2 4.3Å; I94-L113 HydrophobicContact CD1-CG 4.1Å; I94-L113 HydrophobicContact CG1-CD1 4.31Å; I94-L113 HydrophobicContact CG1-CD2 4.5Å; I94-L113 HydrophobicContact CG1-CG 4Å |
| 95 | Q | 63.3 | Low | 56.6 | Low | 70 Ų | 70 | 68.9 Ų | 68.9 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.2 | 175.1 | 63.4 | -173.4 | 10.2 | 0 | 0 | 110.3 | T82 F93 H111 Q112 | T82-Q95 HydrophobicContact CG2-CB 4.39Å; F93-Q95 HydrophobicContact CD1-CB 4.49Å; F93-Q95 HydrophobicContact CE1-CB 4.1Å; Q95-H111 CarbonylContact O-C 3.53Å; Q95-H111 VanDerWaalsContact O-CA 3.24Å; Q95-H111 WeakPolarHBondContact O-CA 3.48Å; Q95-H111 WeakPolarHBondContact O-CB 3.24Å; Q95-Q112 HydrophobicContact CG-CB 4.18Å; Q95-Q112 PolarHBondContact N-O 3Å; Q95-Q112 PolarHBondContact O-N 2.86Å |
| 96 | P | 63.8 | Low | 56.1 | Low | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 149 | 174.6 | 28.3 | -35.3 | 0 | 0 | 0 | 111.2 | T82 G98 Y100 I109 | T82-P96 WeakPolarHBondContact OG1-CD 3.49Å; P96-G98 PolarHBondContact O-N 3.28Å; P96-Y100 HydrophobicContact CB-CD2 4.27Å; P96-I109 HydrophobicContact CB-CG2 4.04Å |
| 97 | V | 54.8 | Low | 55.8 | Low | 87 Ų | 87 | 73.2 Ų | 73.2 | 53% | 0.527 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -93 | 78.6 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | K110 Q112 | V97-K110 HydrophobicContact CB-CB 4.49Å; V97-K110 PolarHBondContact N-O 2.66Å; V97-Q112 HydrophobicContact CG2-CB 3.91Å |
| 98 | G | 52.4 | Low | 55 | Low | 44 Ų | 44 | 75 Ų | 75 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 123 | 162.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P96 Y100 | P96-G98 PolarHBondContact O-N 3.28Å; G98-Y100 WeakPolarHBondContact O-CD2 2.99Å |
| 99 | E | 43.9 | Very low | 54.9 | Low | 200 Ų | 200 | 73.9 Ų | 73.9 | 94% | 0.935 | 43% | 0.429 | S | S | * | . | trans | -86.6 | 133.7 | 173.2 | -63.9 | -169.4 | 153 | 0 | 0 | 110.3 | ||||
| 100 | Y | 46.4 | Very low | 54.8 | Low | 91 Ų | 91 | 74.9 Ų | 74.9 | 36% | 0.357 | 43% | 0.431 | S | S | . | . | trans | -130.8 | 149.2 | 179.5 | -66.6 | -91.4 | 0 | 0 | 0 | 109.9 | G79 P96 G98 I109 | G79-Y100 WeakPolarHBondContact CA-O 3.29Å; P96-Y100 HydrophobicContact CB-CD2 4.27Å; G98-Y100 WeakPolarHBondContact O-CD2 2.99Å; Y100-I109 HydrophobicContact CD1-CD1 3.97Å; Y100-I109 HydrophobicContact CD1-CG1 4.06Å; Y100-I109 HydrophobicContact CD2-CD1 4.15Å; Y100-I109 HydrophobicContact CD2-CG1 4.44Å; Y100-I109 HydrophobicContact CD2-CG2 3.71Å; Y100-I109 HydrophobicContact CE1-CG1 4.21Å; Y100-I109 HydrophobicContact CE1-CG2 4.48Å; Y100-I109 HydrophobicContact CE2-CG2 3.49Å; Y100-I109 VanDerWaalsContact CE2-CG2 3.49Å; Y100-I109 HydrophobicContact CG-CD1 3.73Å; Y100-I109 HydrophobicContact CG-CG1 4.19Å; Y100-I109 HydrophobicContact CG-CG2 4.31Å | ||
| 101 | D | 44.7 | Very low | 55.2 | Low | 85 Ų | 85 | 76 Ų | 76 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | trans | -64.5 | 127.2 | -176.2 | -172.4 | -40.3 | 0 | 0 | 0 | 111.2 | S103 Q104 | D101-S103 PolarHBondContact O-N 2.97Å; D101-S103 VanDerWaalsContact OD1-CB 3.32Å; D101-S103 WeakPolarHBondContact OD1-CB 3.07Å; D101-S103 PolarHBondContact OD1-N 2.92Å; D101-S103 PolarHBondContact OD1-OG 2.95Å; D101-Q104 HydrophobicContact CB-CG 4.25Å; D101-Q104 PolarHBondContact O-N 3.44Å | ||
| 102 | P | 42.4 | Very low | 55.1 | Low | 88 Ų | 88 | 79 Ų | 79 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -4.7 | -179.2 | 26.7 | -34.6 | 0 | 0 | 0 | 115.3 | C78 | C78-P102 HydrophobicContact CB-CB 4.08Š|
| 103 | S | 40.8 | Very low | 54.9 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.8 | 170.3 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D101 | D101-S103 PolarHBondContact O-N 2.97Å; D101-S103 VanDerWaalsContact OD1-CB 3.32Å; D101-S103 WeakPolarHBondContact OD1-CB 3.07Å; D101-S103 PolarHBondContact OD1-N 2.92Å; D101-S103 PolarHBondContact OD1-OG 2.95Å |
| 104 | Q | 44.2 | Very low | 54.8 | Low | 125 Ų | 125 | 79.2 Ų | 79.2 | 58% | 0.584 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -91.5 | 153.4 | -178.9 | -67.5 | -173 | 11.1 | 0 | 0 | 113.3 | D101 | D101-Q104 HydrophobicContact CB-CG 4.25Å; D101-Q104 PolarHBondContact O-N 3.44Å |
| 105 | S | 47.6 | Very low | 54.6 | Low | 89 Ų | 89 | 83.7 Ų | 83.7 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | trans | -67.5 | 133.9 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | S107 | S105-S107 PolarHBondContact O-N 3.05Å; S105-S107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | F | 57 | Low | 54 | Low | 48 Ų | 48 | 86.2 Ų | 86.2 | 21% | 0.211 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -69.8 | -5.1 | -178.6 | 62.9 | -92.3 | 0 | 0 | 0 | 114.3 | V11 V13 L81 H111 | V11-F106 HydrophobicContact CG1-CE1 4.4Å; V11-F106 HydrophobicContact CG1-CZ 3.68Å; V13-F106 HydrophobicContact CG2-CE2 4.07Å; V13-F106 HydrophobicContact CG2-CZ 4.47Å; L81-F106 HydrophobicContact CD1-CB 4.39Å; L81-F106 HydrophobicContact CD1-CD2 3.63Å; L81-F106 HydrophobicContact CD1-CE2 4.1Å; L81-F106 HydrophobicContact CD1-CG 3.94Å; F106-H111 PolarHBondContact O-NE2 2.95Å |
| 107 | S | 51.9 | Low | 53.2 | Low | 98 Ų | 98 | 93.3 Ų | 93.3 | 69% | 0.685 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 122.7 | -177.8 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | S105 | S105-S107 PolarHBondContact O-N 3.05Å; S105-S107 VanDerWaalsContact O-N 3.11Å |
| 108 | G | 54 | Low | 52.4 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | -8.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 109 | I | 65.3 | Low | 51.5 | Low | 22 Ų | 22 | 95.4 Ų | 95.4 | 11% | 0.113 | 51% | 0.514 | C | S | . | . | trans | -74.3 | 143 | 174.2 | -63.4 | 172 | 0 | 0 | 0 | 110.3 | P96 Y100 H111 | P96-I109 HydrophobicContact CB-CG2 4.04Å; Y100-I109 HydrophobicContact CD1-CD1 3.97Å; Y100-I109 HydrophobicContact CD1-CG1 4.06Å; Y100-I109 HydrophobicContact CD2-CD1 4.15Å; Y100-I109 HydrophobicContact CD2-CG1 4.44Å; Y100-I109 HydrophobicContact CD2-CG2 3.71Å; Y100-I109 HydrophobicContact CE1-CG1 4.21Å; Y100-I109 HydrophobicContact CE1-CG2 4.48Å; Y100-I109 HydrophobicContact CE2-CG2 3.49Å; Y100-I109 VanDerWaalsContact CE2-CG2 3.49Å; Y100-I109 HydrophobicContact CG-CD1 3.73Å; Y100-I109 HydrophobicContact CG-CG1 4.19Å; Y100-I109 HydrophobicContact CG-CG2 4.31Å; I109-H111 WeakPolarHBondContact CB-NE2 3.12Å; I109-H111 PolarHBondContact O-CE1 2.9Å; I109-H111 PolarHBondContact O-ND1 3.49Å; I109-H111 PolarHBondContact O-NE2 3.25Å | ||
| 110 | K | 57.8 | Low | 51.5 | Low | 166 Ų | 166 | 91.6 Ų | 91.6 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | trans | -83 | 133.8 | 174.4 | -71.2 | 177.9 | 179.3 | 174.2 | 0 | 110.2 | V97 | V97-K110 HydrophobicContact CB-CB 4.49Å; V97-K110 PolarHBondContact N-O 2.66Å | ||
| 111 | H | 65.7 | Low | 51 | Low | 54 Ų | 54 | 96 Ų | 96 | 25% | 0.25 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.1 | -177.9 | -58.4 | 83 | 0 | 0 | 0 | 111.4 | L81 I94 Q95 F106 I109 | L81-H111 PolarHBondContact O-CD2 3.13Å; L81-H111 VanDerWaalsContact O-CD2 3.29Å; I94-H111 HydrophobicContact CD1-CB 3.84Å; I94-H111 HydrophobicContact CG1-CB 3.74Å; Q95-H111 CarbonylContact O-C 3.53Å; Q95-H111 VanDerWaalsContact O-CA 3.24Å; Q95-H111 WeakPolarHBondContact O-CA 3.48Å; Q95-H111 WeakPolarHBondContact O-CB 3.24Å; F106-H111 PolarHBondContact O-NE2 2.95Å; I109-H111 WeakPolarHBondContact CB-NE2 3.12Å; I109-H111 PolarHBondContact O-CE1 2.9Å; I109-H111 PolarHBondContact O-ND1 3.49Å; I109-H111 PolarHBondContact O-NE2 3.25Å |
| 112 | Q | 63 | Low | 50.2 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.1 | 170.9 | -173.9 | 179.5 | 34.7 | 0 | 0 | 109 | I94 Q95 V97 V114 | I94-Q112 WeakPolarHBondContact CA-O 3.47Å; Q95-Q112 HydrophobicContact CG-CB 4.18Å; Q95-Q112 PolarHBondContact N-O 3Å; Q95-Q112 PolarHBondContact O-N 2.86Å; V97-Q112 HydrophobicContact CG2-CB 3.91Å; Q112-V114 HydrophobicContact CG-CG2 4.15Å |
| 113 | L | 62.8 | Low | 49.7 | Very low | 42 Ų | 42 | 98.8 Ų | 98.8 | 22% | 0.22 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 118.1 | 170.4 | -73.9 | 103.2 | 0 | 0 | 0 | 110.5 | L15 A17 F18 F93 I94 | L15-L113 HydrophobicContact CD1-CD2 4.37Å; A17-L113 HydrophobicContact CB-CD1 4.31Å; A17-L113 HydrophobicContact CB-CD2 4Å; F18-L113 HydrophobicContact CE2-CB 4.16Å; F18-L113 HydrophobicContact CZ-CB 4.45Å; F93-L113 CarbonylContact O-C 3.49Å; F93-L113 WeakPolarHBondContact O-CA 3.42Å; I94-L113 HydrophobicContact CB-CD2 4.33Å; I94-L113 HydrophobicContact CB-CG 4.13Å; I94-L113 HydrophobicContact CD1-CD1 4.06Å; I94-L113 HydrophobicContact CD1-CD2 4.3Å; I94-L113 HydrophobicContact CD1-CG 4.1Å; I94-L113 HydrophobicContact CG1-CD1 4.31Å; I94-L113 HydrophobicContact CG1-CD2 4.5Å; I94-L113 HydrophobicContact CG1-CG 4Å |
| 114 | V | 62.8 | Low | 49.6 | Very low | 52 Ų | 52 | 100.3 Ų | 100.3 | 32% | 0.315 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.8 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L92 F93 Q112 | L92-V114 CarbonylContact C-O 3.34Å; L92-V114 WeakPolarHBondContact CA-O 3.01Å; F93-V114 PolarHBondContact N-O 2.91Å; F93-V114 PolarHBondContact O-N 2.03Å; Q112-V114 HydrophobicContact CG-CG2 4.15Å |
| 115 | R | 61.6 | Low | 49.1 | Very low | 94 Ų | 94 | 98.2 Ų | 98.2 | 36% | 0.355 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.5 | 179.7 | 176 | 179.7 | 171.6 | -161.8 | 1.2 | 110.3 | F18 D90 L92 | F18-R115 HydrophobicContact CE1-CB 4.07Å; F18-R115 HydrophobicContact CE2-CB 4.02Å; F18-R115 HydrophobicContact CZ-CB 3.61Å; D90-R115 IonicContact OD2-CZ 3.49Å; D90-R115 IonicContact OD2-NE 3.92Å; D90-R115 PolarHBondContact OD2-NE 3.2Å; D90-R115 IonicContact OD2-NH2 3.82Å; D90-R115 PolarHBondContact OD2-NH2 3.32Å; L92-R115 HydrophobicContact CD2-CB 4.11Å; L92-R115 HydrophobicContact CD2-CG 4.29Å; L92-R115 HydrophobicContact CG-CB 4.26Å; L92-R115 HydrophobicContact CG-CG 4.23Å |
| 116 | H | 51.5 | Low | 48.1 | Very low | 123 Ų | 123 | 103.6 Ų | 103.6 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.4 | 166 | -78.5 | -94.8 | 0 | 0 | 0 | 109.7 | S91 | S91-H116 PolarHBondContact N-O 2.85Å; S91-H116 VanDerWaalsContact N-O 3.08Å; S91-H116 PolarHBondContact O-N 3.46Å |
| 117 | R | 46.3 | Very low | 46.5 | Very low | 177 Ų | 177 | 107.8 Ų | 107.8 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.9 | -180 | -145.3 | -172.4 | -172 | 179.8 | -0.9 | 109 | D90 S119 | D90-R117 WeakPolarHBondContact OD1-CG 3.3Å; D90-R117 IonicContact OD1-NE 2.72Å; D90-R117 IonicContact OD2-NE 3.79Å; R117-S119 PolarHBondContact O-N 3.05Å |
| 118 | C | 37.7 | Very low | 45.2 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | trans | -74.6 | 95.9 | 168.8 | -76 | 0 | 0 | 0 | 0 | 108.7 | P120 | C118-P120 WeakPolarHBondContact O-CD 2.96Š| ||
| 119 | S | 34.7 | Very low | 43.8 | Very low | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 64% | 0.636 | S | S | * | * | trans | -75.8 | 125.1 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | R117 K121 | R117-S119 PolarHBondContact O-N 3.05Å; S119-K121 PolarHBondContact O-N 3.42Å | ||
| 120 | P | 43.8 | Very low | 41.7 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -77.1 | 51.8 | 173.4 | 33.4 | -36 | 0 | 0 | 0 | 111.2 | C118 | C118-P120 WeakPolarHBondContact O-CD 2.96Š|
| 121 | K | 35.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 113.1 Ų | 113.1 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | trans | -148.7 | 70.4 | 179.5 | -71.2 | -165.4 | 176.2 | -177 | 0 | 113.4 | S119 | S119-K121 PolarHBondContact O-N 3.42Š| ||
| 122 | S | 28 | Very low | 38.7 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | -171.3 | 99 | 143.6 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 123 | S | 31.4 | Very low | 36.8 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -81.9 | 159.6 | 171.6 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 124 | P | 39.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -79.1 | 142.8 | -171.1 | -8.3 | 26 | 0 | 0 | 0 | 112.9 | ||
| 125 | G | 33.7 | Very low | 33 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 80.4 | 112.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 126 | Q | 26.7 | Very low | 31.1 | Very low | 201 Ų | 201 | 129 Ų | 129 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -95 | 127.2 | 170.1 | -79 | -178.8 | -21.2 | 0 | 0 | 111.3 | ||||
| 127 | C | 22 | Very low | 30.3 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 92% | 0.919 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 147.7 | 138.7 | -109.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 128 | A | 24.6 | Very low | 29.2 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -89.9 | 156.5 | -155.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 129 | G | 24.9 | Very low | 28.5 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 171.5 | 95.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 130 | Q | 21.6 | Very low | 28.2 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -122 | 167.2 | 170.6 | -97.8 | -165.1 | -6.2 | 0 | 0 | 109.1 | ||||
| 131 | P | 36.9 | Very low | 27.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 64% | 0.636 | 83% | 0.829 | S | S | * | * | cis | -132.6 | -172.7 | -29.2 | 33.6 | -14.3 | 0 | 0 | 0 | 111.9 | ||||
| 132 | I | 24.1 | Very low | 26.9 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | trans | 162 | 123.6 | 133.4 | -83.3 | 157.3 | 0 | 0 | 0 | 115.3 | ||||
| 133 | H | 22.7 | Very low | 26.8 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | 28.8 | 119 | 155.8 | -58 | -56.4 | 0 | 0 | 0 | 127.8 | ||||
| 134 | C | 21.4 | Very low | 26.5 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | 58.3 | 138 | 111.8 | -136 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 135 | G | 23.3 | Very low | 25.8 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | 92.8 | 149.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 136 | T | 23 | Very low | 25.5 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | cis | -159 | 175.2 | 0.6 | -1.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 137 | A | 34.1 | Very low | 25.4 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -94.1 | 158.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 138 | G | 22.9 | Very low | 25.6 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 114.8 | 150.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 139 | G | 24 | Very low | 25.6 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 171.9 | 127.6 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 140 | Q | 28.8 | Very low | 25.6 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 31.1 | 131.8 | 163.8 | -57.9 | -171.5 | 9.9 | 0 | 0 | 122.9 | ||||
| 141 | K | 25.5 | Very low | 25.8 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | -177.6 | 121.1 | 116.7 | -95.5 | 151.4 | -170.7 | 173.9 | 0 | 110.5 | |||||
| 142 | K | 25.5 | Very low | 25.5 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 67.2 | 141.7 | 95.4 | -73 | -172.8 | -172.4 | 175 | 0 | 114.5 | |||||
| 143 | K | 26.7 | Very low | 25.7 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | cis | -179.2 | 147.1 | -13.3 | -119.4 | -178.3 | -177.8 | 179.9 | 0 | 108.7 | ||||
| 144 | K | 25.1 | Very low | 25.9 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 165.8 | 111.6 | 147.8 | -98.4 | 173.5 | -178.6 | -176.7 | 0 | 106.6 | ||||
| 145 | K | 25.4 | Very low | 26.8 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 82.3 | 97.5 | 23.9 | -136.9 | -164.2 | -166.5 | -164.9 | 0 | 116.3 | ||||
| 146 | L | 26.3 | Very low | 27.3 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 86.2 | 146.6 | -96.1 | 157.1 | 0 | 0 | 0 | 104.9 | ||||
| 147 | K | 24.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | 61.8 | 109.3 | 99.8 | -87.4 | -159.5 | 166.8 | -165.6 | 0 | 113 | |||||
| 148 | L | 26 | Very low | 27.7 | Very low | 138 Ų | 138 | 155.1 Ų | 155.1 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | 77.5 | 146.7 | 75 | -101.4 | 79.5 | 0 | 0 | 0 | 113.1 | E150 | L148-E150 WeakPolarHBondContact CD2-OE1 3.09Š| |||
| 149 | G | 24.5 | Very low | 28.6 | Very low | 64 Ų | 64 | 158 Ų | 158 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | -121.9 | -162.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 150 | E | 25.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 160.6 Ų | 160.6 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | cis | 159.2 | 150.7 | -2.6 | -101.6 | 163.5 | 179.8 | 0 | 0 | 102.9 | L148 | L148-E150 WeakPolarHBondContact CD2-OE1 3.09Š| ||
| 151 | E | 26.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | cis | -150.2 | 153.4 | -9.2 | -144 | 170.5 | -158.8 | 0 | 0 | 111.2 | ||||
| 152 | D | 29.8 | Very low | 31.1 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | -26.7 | 122.6 | 167.1 | -159.9 | -7.6 | 0 | 0 | 0 | 117.8 | T154 | D152-T154 PolarHBondContact OD1-N 3.39Š| ||
| 153 | R | 28.2 | Very low | 32.6 | Very low | 242 Ų | 242 | 155.2 Ų | 155.2 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -127.3 | 74.5 | 144.8 | -88.3 | -167.8 | 171.2 | 178.7 | -1.6 | 111.6 | ||||
| 154 | T | 27.6 | Very low | 34.5 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | trans | 49.4 | 106.4 | 132.2 | 57.5 | 0 | 0 | 0 | 0 | 117.6 | D152 | D152-T154 PolarHBondContact OD1-N 3.39Š| ||
| 155 | K | 40.3 | Very low | 37 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | 33.6 | 93.1 | 132.9 | -66.6 | 177.1 | 177.3 | 173.3 | 0 | 117 | ||||
| 156 | R | 32.8 | Very low | 39.4 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 91% | 0.906 | 67% | 0.669 | S | S | * | * | -172.5 | 98.3 | 128.6 | -102 | 162.6 | -168.3 | -176.2 | 4.9 | 109.4 | |||||
| 157 | N | 32.3 | Very low | 42.1 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | -175.9 | 55.5 | 150 | -94.7 | -22.9 | 0 | 0 | 0 | 111.1 | M159 | N157-M159 HydrophobicContact CB-CG 4.19Å; N157-M159 PolarHBondContact O-N 2.82Å; N157-M159 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 158 | T | 34.2 | Very low | 44.7 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 91% | 0.908 | 61% | 0.605 | S | S | * | * | trans | -67.6 | 69 | 148 | 38.1 | 0 | 0 | 0 | 0 | 108.4 | N160 | T158-N160 PolarHBondContact O-N 2.87Š| ||
| 159 | M | 40.9 | Very low | 47.4 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 72% | 0.719 | 57% | 0.571 | S | S | * | * | trans | -74.8 | 108.1 | 175 | -79.4 | -117.5 | -78 | 0 | 0 | 108.6 | N157 L161 | N157-M159 HydrophobicContact CB-CG 4.19Å; N157-M159 PolarHBondContact O-N 2.82Å; N157-M159 WeakPolarHBondContact OD1-CG 3.31Å; M159-L161 PolarHBondContact O-N 2.82Å | ||
| 160 | N | 38.6 | Very low | 50.3 | Low | 125 Ų | 125 | 112.6 Ų | 112.6 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | trans | -40 | 115.8 | -177 | -97.9 | -25.1 | 0 | 0 | 0 | 114.3 | T158 H162 | T158-N160 PolarHBondContact O-N 2.87Å; N160-H162 HydrophobicContact CB-CB 4.18Å; N160-H162 PolarHBondContact O-N 2.81Å | ||
| 161 | L | 49.9 | Very low | 53.3 | Low | 85 Ų | 85 | 105.6 Ų | 105.6 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | trans | -76.9 | 18.6 | 162.7 | -107.9 | 85.4 | 0 | 0 | 0 | 112.7 | M159 K163 Q373 | M159-L161 PolarHBondContact O-N 2.82Å; L161-K163 PolarHBondContact O-N 2.99Å; L161-K163 VanDerWaalsContact O-N 3.16Å; L161-Q373 HydrophobicContact CD2-CB 4.46Å; L161-Q373 HydrophobicContact CD2-CG 4.06Å | ||
| 162 | H | 42.8 | Very low | 56.3 | Low | 166 Ų | 166 | 97.5 Ų | 97.5 | 77% | 0.769 | 47% | 0.47 | S | S | * | . | trans | -76.1 | 9 | -177.9 | -101 | -84.1 | 0 | 0 | 0 | 115.1 | N160 | N160-H162 HydrophobicContact CB-CB 4.18Å; N160-H162 PolarHBondContact O-N 2.81Å | ||
| 163 | K | 56 | Low | 59.1 | Low | 158 Ų | 158 | 91.3 Ų | 91.3 | 69% | 0.687 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 132.5 | -177.2 | -69.1 | -169.4 | 174.8 | -170.8 | 0 | 111.2 | L161 Y165 | L161-K163 PolarHBondContact O-N 2.99Å; L161-K163 VanDerWaalsContact O-N 3.16Å; K163-Y165 VanDerWaalsContact O-CD2 3.27Å; K163-Y165 WeakPolarHBondContact O-CD2 2.9Å; K163-Y165 WeakPolarHBondContact O-CE2 3.28Å |
| 164 | T | 66.4 | Low | 61.8 | Low | 91 Ų | 91 | 79.8 Ų | 79.8 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 132.5 | 165.3 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | K209 | T164-K209 HydrophobicContact CG2-CB 4.27Š|
| 165 | Y | 77.8 | Confident | 64.5 | Low | 15 Ų | 15 | 77.8 Ų | 77.8 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 154.5 | 175 | -62.3 | -91.7 | 0 | 0 | 0 | 109.9 | K163 V208 K209 N211 L376 L386 R387 | K163-Y165 VanDerWaalsContact O-CD2 3.27Å; K163-Y165 WeakPolarHBondContact O-CD2 2.9Å; K163-Y165 WeakPolarHBondContact O-CE2 3.28Å; Y165-V208 HydrophobicContact CD2-CG1 3.58Å; Y165-V208 HydrophobicContact CE2-CG1 3.77Å; Y165-K209 PolarHBondContact N-O 2.03Å; Y165-N211 PolarHBondContact O-N 3.14Å; Y165-L376 HydrophobicContact CD1-CD2 3.78Å; Y165-L376 HydrophobicContact CD2-CD1 3.87Å; Y165-L376 HydrophobicContact CD2-CD2 4.44Å; Y165-L376 HydrophobicContact CE1-CD2 3.89Å; Y165-L376 HydrophobicContact CE2-CD1 3.81Å; Y165-L376 HydrophobicContact CG-CD1 4.29Å; Y165-L376 HydrophobicContact CG-CD2 4.07Å; Y165-L386 HydrophobicContact CD1-CB 4.35Å; Y165-R387 HydrophobicContact CD1-CG 4.1Å; Y165-R387 HydrophobicContact CE1-CG 3.82Å |
| 166 | T | 76.8 | Confident | 66.5 | Low | 12 Ų | 12 | 69.4 Ų | 69.4 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.3 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 108.7 | E168 N211 K213 L386 T389 | T166-E168 HydrophobicContact CG2-CG 4.1Å; T166-N211 WeakPolarHBondContact CA-O 3.49Å; T166-K213 HydrophobicContact CG2-CB 4.48Å; T166-K213 HydrophobicContact CG2-CD 3.5Å; T166-K213 VanDerWaalsContact CG2-CD 3.5Å; T166-K213 HydrophobicContact CG2-CG 3.73Å; T166-L386 PolarHBondContact N-O 3.39Å; T166-L386 VanDerWaalsContact O-CA 3.27Å; T166-L386 WeakPolarHBondContact O-CA 2.98Å; T166-L386 WeakPolarHBondContact O-CD2 2.99Å; T166-T389 HydrophobicContact CG2-CG2 3.84Å |
| 167 | L | 82.6 | Confident | 68.8 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.2 | 174.1 | -175 | 76.8 | 0 | 0 | 0 | 108.7 | V210 N211 I212 K213 D270 T271 L327 M331 L386 | L167-V210 HydrophobicContact CB-CG1 4.41Å; L167-N211 PolarHBondContact N-O 3.4Å; L167-I212 HydrophobicContact CB-CD1 4Å; L167-I212 HydrophobicContact CD2-CD1 3.72Å; L167-I212 HydrophobicContact CG-CD1 4.5Å; L167-K213 PolarHBondContact O-N 3Å; L167-D270 HydrophobicContact CD1-CB 4Å; L167-T271 HydrophobicContact CD1-CG2 3.75Å; L167-T271 HydrophobicContact CD2-CG2 4.49Å; L167-T271 HydrophobicContact CG-CG2 4.44Å; L167-L327 HydrophobicContact CD2-CD1 4.46Å; L167-L327 HydrophobicContact CD2-CD2 4.02Å; L167-M331 HydrophobicContact CD1-SD 4.48Å; L167-M331 HydrophobicContact CD2-CE 4.24Å; L167-M331 HydrophobicContact CD2-SD 4.38Å; L167-L386 HydrophobicContact CB-CD2 4.35Å; L167-L386 HydrophobicContact CD1-CD2 3.31Å; L167-L386 HydrophobicContact CG-CD2 4.42Å |
| 168 | E | 79.4 | Confident | 71.1 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111.9 | 177.7 | -62.9 | -161 | 172.3 | 0 | 0 | 111.1 | T166 K213 N215 D270 T271 | T166-E168 HydrophobicContact CG2-CG 4.1Å; E168-K213 HydrophobicContact CG-CB 4.39Å; E168-K213 HydrophobicContact CG-CD 4.42Å; E168-K213 IonicContact OE1-NZ 3.12Å; E168-N215 PolarHBondContact OE2-ND2 2.87Å; E168-D270 PolarHBondContact N-OD2 3.16Å; E168-D270 WeakPolarHBondContact O-CA 2.98Å; E168-D270 WeakPolarHBondContact O-CB 3.28Å; E168-D270 PolarHBondContact O-N 3.19Å; E168-T271 PolarHBondContact O-N 3.06Å |
| 169 | T | 83.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.8 | -170.7 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | M194 I212 K213 V214 N215 T271 | T169-M194 HydrophobicContact CG2-CE 3.78Å; T169-I212 HydrophobicContact CG2-CG2 4.21Å; T169-K213 PolarHBondContact N-O 2.81Å; T169-V214 HydrophobicContact CG2-CG2 4.2Å; T169-V214 CarbonylContact O-C 3.46Å; T169-V214 WeakPolarHBondContact O-CA 3.43Å; T169-N215 PolarHBondContact O-N 3.3Å; T169-T271 VanDerWaalsContact CA-O 3.23Å; T169-T271 WeakPolarHBondContact CA-O 3.44Å; T169-T271 WeakPolarHBondContact CB-OG1 3.46Å; T169-T271 PolarHBondContact OG1-O 2.99Å; T169-T271 VanDerWaalsContact OG1-O 3.11Å; T169-T271 PolarHBondContact OG1-OG1 2.83Å |
| 170 | V | 84.7 | Confident | 74.7 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.7 | 170.6 | 172.2 | 0 | 0 | 0 | 0 | 109.3 | V172 K216 V218 F248 V269 T271 A272 V273 | V170-V172 HydrophobicContact CG1-CG2 4.13Å; V170-K216 HydrophobicContact CG1-CB 4.31Å; V170-K216 HydrophobicContact CG2-CB 4.1Å; V170-V218 HydrophobicContact CG1-CG2 4.3Å; V170-F248 HydrophobicContact CG1-CE1 4.36Å; V170-F248 HydrophobicContact CG1-CE2 4.41Å; V170-F248 HydrophobicContact CG1-CZ 4.07Å; V170-V269 HydrophobicContact CB-CG1 4.11Å; V170-V269 HydrophobicContact CG2-CB 4.27Å; V170-V269 HydrophobicContact CG2-CG1 3.69Å; V170-V269 HydrophobicContact CG2-CG2 3.5Å; V170-V269 VanDerWaalsContact CG2-CG2 3.5Å; V170-T271 PolarHBondContact N-O 2.9Å; V170-A272 CarbonylContact O-C 3.51Å; V170-A272 VanDerWaalsContact O-CA 3.31Å; V170-A272 WeakPolarHBondContact O-CA 3.18Å; V170-V273 PolarHBondContact O-N 3.45Å |
| 171 | V | 88.7 | Confident | 76 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.3 | 178 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L190 M194 V214 K216 L217 V218 | V171-L190 HydrophobicContact CG1-CB 4.41Å; V171-L190 HydrophobicContact CG1-CD1 4.28Å; V171-L190 HydrophobicContact CG1-CD2 4.41Å; V171-M194 HydrophobicContact CG2-CE 4.41Å; V171-M194 HydrophobicContact CG2-CG 3.8Å; V171-M194 HydrophobicContact CG2-SD 3.86Å; V171-V214 HydrophobicContact CG2-CG1 4.16Å; V171-V214 HydrophobicContact CG2-CG2 4.43Å; V171-K216 PolarHBondContact N-O 3.47Å; V171-L217 HydrophobicContact CB-CD1 3.82Å; V171-L217 HydrophobicContact CG1-CD1 3.75Å; V171-L217 WeakPolarHBondContact O-CA 3.45Å; V171-V218 PolarHBondContact O-N 2.79Å |
| 172 | V | 89 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123 | -178.4 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | V170 V218 L220 F240 W243 V273 L274 V275 | V170-V172 HydrophobicContact CG1-CG2 4.13Å; V172-V218 WeakPolarHBondContact CA-O 3.37Å; V172-V218 HydrophobicContact CG1-CB 4.38Å; V172-V218 HydrophobicContact CG2-CB 4.36Å; V172-L220 HydrophobicContact CG1-CD1 3.87Å; V172-L220 HydrophobicContact CG1-CG 4.23Å; V172-F240 HydrophobicContact CB-CE2 4.46Å; V172-F240 HydrophobicContact CG2-CE2 4.24Å; V172-F240 HydrophobicContact CG2-CZ 4.35Å; V172-W243 HydrophobicContact CG1-CH2 4.22Å; V172-W243 HydrophobicContact CG1-CZ3 4.18Å; V172-W243 HydrophobicContact CG2-CZ3 4.18Å; V172-V273 PolarHBondContact N-O 3.5Å; V172-L274 HydrophobicContact CB-CD1 3.95Å; V172-L274 HydrophobicContact CG1-CD1 3.8Å; V172-V275 PolarHBondContact O-N 3.03Å |
| 173 | A | 88.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M177 V178 L190 V218 L219 L220 | A173-M177 HydrophobicContact CB-CB 4.38Å; A173-M177 HydrophobicContact CB-SD 4.34Å; A173-V178 HydrophobicContact CB-CG2 3.81Å; A173-L190 HydrophobicContact CB-CD1 3.75Å; A173-V218 PolarHBondContact N-O 2.91Å; A173-L219 HydrophobicContact CB-CD2 3.62Å; A173-L220 WeakPolarHBondContact O-CB 3.46Å; A173-L220 WeakPolarHBondContact O-CG 3.25Å; A173-L220 PolarHBondContact O-N 3.37Å |
| 174 | D | 85.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -62.8 | 156.8 | 171.9 | 179.9 | 22 | 0 | 0 | 0 | 111.4 | N176 M177 V178 L274 V275 T276 | D174-N176 PolarHBondContact O-N 3.49Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-M177 WeakPolarHBondContact O-CA 3.1Å; D174-M177 VanDerWaalsContact O-CB 3.31Å; D174-M177 WeakPolarHBondContact O-CB 3.3Å; D174-M177 PolarHBondContact O-N 3.14Å; D174-V178 PolarHBondContact O-N 3.06Å; D174-V178 VanDerWaalsContact O-N 3.07Å; D174-L274 HydrophobicContact CB-CD1 4.25Å; D174-V275 WeakPolarHBondContact CB-O 3.46Å; D174-V275 PolarHBondContact N-O 3.3Å; D174-T276 PolarHBondContact OD2-OG1 2.77Å | ||
| 175 | F | 84.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 27.3 Ų | 27.3 | 24% | 0.241 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -46.1 | -43.7 | 172.5 | 171.1 | -110.3 | 0 | 0 | 0 | 113 | M177 V178 Q179 L220 H221 R223 | F175-M177 VanDerWaalsContact C-N 3.26Å; F175-M177 PolarHBondContact O-N 3.49Å; F175-V178 PolarHBondContact O-N 2.03Å; F175-Q179 HydrophobicContact CE2-CB 4.31Å; F175-Q179 HydrophobicContact CZ-CB 4.32Å; F175-Q179 HydrophobicContact CZ-CG 4.35Å; F175-Q179 WeakPolarHBondContact O-CB 3.44Å; F175-Q179 PolarHBondContact O-N 2.82Å; F175-L220 VanDerWaalsContact CA-O 3.24Å; F175-L220 WeakPolarHBondContact CA-O 3.36Å; F175-H221 WeakPolarHBondContact CD2-O 3.23Å; F175-H221 WeakPolarHBondContact CE2-O 3.4Å; F175-R223 HydrophobicContact CB-CG 3.55Å; F175-R223 HydrophobicContact CD1-CG 4.18Å; F175-R223 HydrophobicContact CG-CG 4.14Å |
| 176 | N | 81.4 | Confident | 76.7 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -30.5 | 180 | -63 | -5.7 | 0 | 0 | 0 | 112.8 | D174 Y180 R223 R277 Y278 | D174-N176 PolarHBondContact O-N 3.49Å; D174-N176 VanDerWaalsContact O-N 3.16Å; N176-Y180 WeakPolarHBondContact O-CB 3.46Å; N176-Y180 PolarHBondContact O-N 3.43Å; N176-R223 PolarHBondContact ND2-NH2 2.93Å; N176-R223 PolarHBondContact OD1-NH2 3.4Å; N176-R277 HydrophobicContact CB-CB 3.96Å; N176-R277 HydrophobicContact CB-CG 4.31Å; N176-Y278 VanDerWaalsContact ND2-CD2 3.3Å; N176-Y278 WeakPolarHBondContact ND2-CD2 3.43Å; N176-Y278 WeakPolarHBondContact ND2-CE2 3.41Å |
| 177 | M | 80.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.6 | -50 | 178 | -162.1 | -68.7 | 175.1 | 0 | 0 | 109.3 | A173 D174 F175 Q179 Y180 H181 A186 F189 L190 V275 | A173-M177 HydrophobicContact CB-CB 4.38Å; A173-M177 HydrophobicContact CB-SD 4.34Å; D174-M177 WeakPolarHBondContact O-CA 3.1Å; D174-M177 VanDerWaalsContact O-CB 3.31Å; D174-M177 WeakPolarHBondContact O-CB 3.3Å; D174-M177 PolarHBondContact O-N 3.14Å; F175-M177 VanDerWaalsContact C-N 3.26Å; F175-M177 PolarHBondContact O-N 3.49Å; M177-Q179 VanDerWaalsContact C-N 3.34Å; M177-Q179 PolarHBondContact O-N 2.84Å; M177-Y180 PolarHBondContact O-N 2.82Å; M177-H181 HydrophobicContact CE-CB 4.49Å; M177-H181 WeakPolarHBondContact CE-CD2 3.33Å; M177-H181 PolarHBondContact O-N 3.3Å; M177-H181 HydrophobicContact SD-CB 4.41Å; M177-H181 VanDerWaalsContact SD-CD2 3.59Å; M177-A186 HydrophobicContact CE-CB 3.98Å; M177-A186 HydrophobicContact SD-CB 3.45Å; M177-A186 WeakPolarHBondContact SD-CB 3.02Å; M177-F189 HydrophobicContact CE-CD1 3.4Å; M177-F189 VanDerWaalsContact CE-CD1 3.4Å; M177-F189 HydrophobicContact CE-CE1 3.72Å; M177-F189 HydrophobicContact CE-CG 4.45Å; M177-L190 HydrophobicContact CE-CD1 4.39Å; M177-L190 HydrophobicContact CE-CD2 4.35Å; M177-L190 HydrophobicContact CE-CG 4.18Å; M177-V275 HydrophobicContact CG-CG1 4.28Å |
| 178 | V | 81.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 178 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | A173 D174 F175 G182 A183 L219 | A173-V178 HydrophobicContact CB-CG2 3.81Å; D174-V178 PolarHBondContact O-N 3.06Å; D174-V178 VanDerWaalsContact O-N 3.07Å; F175-V178 PolarHBondContact O-N 2.03Å; V178-G182 WeakPolarHBondContact O-CA 3.38Å; V178-G182 PolarHBondContact O-N 2.78Å; V178-A183 HydrophobicContact CG1-CB 4.23Å; V178-L219 HydrophobicContact CG2-CB 4.1Å; V178-L219 HydrophobicContact CG2-CD2 4.38Å |
| 179 | Q | 77.8 | Confident | 74.6 | Confident | 135 Ų | 135 | 32.3 Ų | 32.3 | 63% | 0.631 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -68.2 | -35.1 | 176.3 | -175.3 | -178.2 | 17.9 | 0 | 0 | 112.5 | F175 M177 | F175-Q179 HydrophobicContact CE2-CB 4.31Å; F175-Q179 HydrophobicContact CZ-CB 4.32Å; F175-Q179 HydrophobicContact CZ-CG 4.35Å; F175-Q179 WeakPolarHBondContact O-CB 3.44Å; F175-Q179 PolarHBondContact O-N 2.82Å; M177-Q179 VanDerWaalsContact C-N 3.34Å; M177-Q179 PolarHBondContact O-N 2.84Å |
| 180 | Y | 71.9 | Confident | 74.2 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.1 | -46.1 | -175.5 | -177.6 | -92.9 | 0 | 0 | 0 | 112.9 | N176 M177 R277 F418 G419 | N176-Y180 WeakPolarHBondContact O-CB 3.46Å; N176-Y180 PolarHBondContact O-N 3.43Å; M177-Y180 PolarHBondContact O-N 2.82Å; Y180-R277 VanDerWaalsContact CE2-NH2 3.34Å; Y180-R277 PolarHBondContact OH-NH2 3.28Å; Y180-F418 PolarHBondContact OH-O 2.77Å; Y180-G419 VanDerWaalsContact CZ-CA 3.5Å; Y180-G419 WeakPolarHBondContact OH-CA 3.47Å; Y180-G419 PolarHBondContact OH-N 2.96Å |
| 181 | H | 66.3 | Low | 73.5 | Confident | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -92.6 | -24.1 | -177.8 | -65.1 | -77.1 | 0 | 0 | 0 | 113.3 | M177 V185 A186 D314 | M177-H181 HydrophobicContact CE-CB 4.49Å; M177-H181 WeakPolarHBondContact CE-CD2 3.33Å; M177-H181 PolarHBondContact O-N 3.3Å; M177-H181 HydrophobicContact SD-CB 4.41Å; M177-H181 VanDerWaalsContact SD-CD2 3.59Å; H181-V185 HydrophobicContact CB-CG1 4.47Å; H181-V185 WeakPolarHBondContact O-CB 3.15Å; H181-A186 HydrophobicContact CB-CB 4.37Å; H181-D314 IonicContact CD2-OD2 3.38Å; H181-D314 IonicContact CE1-OD2 3.94Å; H181-D314 IonicContact NE2-OD2 3.64Å; H181-D314 PolarHBondContact NE2-OD2 3.46Å |
| 182 | G | 65.4 | Low | 72.2 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | trans | 81.3 | 148.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V178 E184 V185 A186 | V178-G182 WeakPolarHBondContact O-CA 3.38Å; V178-G182 PolarHBondContact O-N 2.78Å; G182-E184 PolarHBondContact O-N 3.45Å; G182-V185 PolarHBondContact O-N 2.8Å; G182-A186 WeakPolarHBondContact O-CB 3.28Å; G182-A186 PolarHBondContact O-N 2.97Å | ||
| 183 | A | 65.1 | Low | 71.6 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V178 Q187 L219 | V178-A183 HydrophobicContact CG1-CB 4.23Å; A183-Q187 WeakPolarHBondContact O-CB 3.19Å; A183-Q187 PolarHBondContact O-N 2.81Å; A183-L219 HydrophobicContact CB-CD1 4.05Å; A183-L219 WeakPolarHBondContact O-CD1 3.44Å |
| 184 | E | 54.6 | Low | 71.1 | Confident | 84 Ų | 84 | 35.3 Ų | 35.3 | 39% | 0.393 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.8 | -36.3 | -178.9 | -62 | -153.1 | 165.4 | 0 | 0 | 113.1 | G182 R188 | G182-E184 PolarHBondContact O-N 3.45Å; E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 2.79Å; E184-R188 IonicContact OE2-NH2 2.69Å; E184-R188 PolarHBondContact OE2-NH2 2.9Å; E184-R188 VanDerWaalsContact OE2-NH2 3.15Å |
| 185 | V | 58.2 | Low | 70.4 | Confident | 62 Ų | 62 | 38.8 Ų | 38.8 | 38% | 0.376 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.1 | -46.9 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | H181 G182 Q187 R188 F189 | H181-V185 HydrophobicContact CB-CG1 4.47Å; H181-V185 WeakPolarHBondContact O-CB 3.15Å; G182-V185 PolarHBondContact O-N 2.8Å; V185-Q187 VanDerWaalsContact C-N 3.26Å; V185-Q187 PolarHBondContact O-N 2.74Å; V185-R188 PolarHBondContact O-N 2.88Å; V185-F189 VanDerWaalsContact O-CB 3.24Å; V185-F189 WeakPolarHBondContact O-CB 3.17Å; V185-F189 PolarHBondContact O-N 2.8Å |
| 186 | A | 64.9 | Low | 69.6 | Low | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M177 H181 G182 L190 L219 | M177-A186 HydrophobicContact CE-CB 3.98Å; M177-A186 HydrophobicContact SD-CB 3.45Å; M177-A186 WeakPolarHBondContact SD-CB 3.02Å; H181-A186 HydrophobicContact CB-CB 4.37Å; G182-A186 WeakPolarHBondContact O-CB 3.28Å; G182-A186 PolarHBondContact O-N 2.97Å; A186-L190 VanDerWaalsContact O-CB 3.32Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 VanDerWaalsContact O-CG 3.23Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 2.9Å; A186-L219 HydrophobicContact CB-CD2 4.5Å |
| 187 | Q | 68.3 | Low | 69.5 | Low | 39 Ų | 39 | 36.3 Ų | 36.3 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -54.5 | 175.2 | 179.1 | -169.8 | -40 | 0 | 0 | 112.2 | I39 A183 V185 L191 L217 L219 | I39-Q187 HydrophobicContact CD1-CG 4.34Å; A183-Q187 WeakPolarHBondContact O-CB 3.19Å; A183-Q187 PolarHBondContact O-N 2.81Å; V185-Q187 VanDerWaalsContact C-N 3.26Å; V185-Q187 PolarHBondContact O-N 2.74Å; Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 VanDerWaalsContact O-CG 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.4Å; Q187-L191 PolarHBondContact O-N 2.82Å; Q187-L191 VanDerWaalsContact O-N 3.12Å; Q187-L217 HydrophobicContact CB-CD2 4.15Å; Q187-L217 HydrophobicContact CG-CD2 3.77Å; Q187-L219 HydrophobicContact CB-CD1 4.35Å |
| 188 | R | 57.8 | Low | 69.5 | Low | 138 Ų | 138 | 36.7 Ų | 36.7 | 52% | 0.521 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.1 | -41.6 | -177.3 | -64.1 | 175.5 | -156.4 | 169.1 | 10.1 | 111.2 | E184 V185 T192 Y408 | E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 2.79Å; E184-R188 IonicContact OE2-NH2 2.69Å; E184-R188 PolarHBondContact OE2-NH2 2.9Å; E184-R188 VanDerWaalsContact OE2-NH2 3.15Å; V185-R188 PolarHBondContact O-N 2.88Å; R188-T192 WeakPolarHBondContact O-CB 3.38Å; R188-T192 PolarHBondContact O-N 2.85Å; R188-T192 PolarHBondContact O-OG1 3.19Å; R188-Y408 PolarHBondContact O-OH 2.83Å |
| 189 | F | 69.2 | Low | 69 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -52.2 | 177.6 | 173.8 | -102.5 | 0 | 0 | 0 | 111.7 | M177 V185 L191 T192 V193 G316 L317 L319 Y408 I416 | M177-F189 HydrophobicContact CE-CD1 3.4Å; M177-F189 VanDerWaalsContact CE-CD1 3.4Å; M177-F189 HydrophobicContact CE-CE1 3.72Å; M177-F189 HydrophobicContact CE-CG 4.45Å; V185-F189 VanDerWaalsContact O-CB 3.24Å; V185-F189 WeakPolarHBondContact O-CB 3.17Å; V185-F189 PolarHBondContact O-N 2.8Å; F189-L191 PolarHBondContact O-N 2.93Å; F189-T192 PolarHBondContact O-N 2.77Å; F189-V193 HydrophobicContact CE1-CG2 4.31Å; F189-V193 HydrophobicContact CE2-CG2 4.24Å; F189-V193 HydrophobicContact CZ-CG2 4.15Å; F189-V193 WeakPolarHBondContact O-CB 3.44Å; F189-V193 WeakPolarHBondContact O-CG2 3.29Å; F189-V193 PolarHBondContact O-N 2.86Å; F189-G316 WeakPolarHBondContact CZ-O 3.23Å; F189-L317 HydrophobicContact CD2-CD2 4.37Å; F189-L317 HydrophobicContact CE2-CD2 4.01Å; F189-L317 HydrophobicContact CE2-CG 4.2Å; F189-L319 HydrophobicContact CE1-CD2 3.8Å; F189-L319 HydrophobicContact CZ-CD2 4.23Å; F189-Y408 WeakPolarHBondContact CA-OH 3.48Å; F189-Y408 PolarHBondContact N-OH 2.88Å; F189-Y408 VanDerWaalsContact N-OH 3.14Å; F189-I416 HydrophobicContact CD2-CD1 4.43Å; F189-I416 HydrophobicContact CD2-CG2 4.46Å; F189-I416 HydrophobicContact CE2-CG2 3.94Å; F189-I416 HydrophobicContact CZ-CG2 4.45Å |
| 190 | L | 75.3 | Confident | 69 | Low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | -178.9 | -69.7 | 171.4 | 0 | 0 | 0 | 112.8 | V171 A173 M177 A186 V193 M194 L217 V275 L319 | V171-L190 HydrophobicContact CG1-CB 4.41Å; V171-L190 HydrophobicContact CG1-CD1 4.28Å; V171-L190 HydrophobicContact CG1-CD2 4.41Å; A173-L190 HydrophobicContact CB-CD1 3.75Å; M177-L190 HydrophobicContact CE-CD1 4.39Å; M177-L190 HydrophobicContact CE-CD2 4.35Å; M177-L190 HydrophobicContact CE-CG 4.18Å; A186-L190 VanDerWaalsContact O-CB 3.32Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 VanDerWaalsContact O-CG 3.23Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 2.9Å; L190-V193 PolarHBondContact O-N 2.89Å; L190-M194 WeakPolarHBondContact O-CG 3.35Å; L190-M194 PolarHBondContact O-N 2.9Å; L190-L217 HydrophobicContact CB-CD1 4.31Å; L190-L217 HydrophobicContact CD1-CD1 4.01Å; L190-V275 HydrophobicContact CD2-CB 4.12Å; L190-V275 HydrophobicContact CD2-CG1 4.16Å; L190-V275 HydrophobicContact CD2-CG2 3.78Å; L190-L319 HydrophobicContact CD2-CD2 4.14Å |
| 191 | L | 69.1 | Low | 69.5 | Low | 37 Ų | 37 | 31.2 Ų | 31.2 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 174.3 | -69.4 | 173.3 | 0 | 0 | 0 | 112.2 | F37 Q187 F189 M194 N195 | F37-L191 HydrophobicContact CZ-CD2 4.12Å; Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 VanDerWaalsContact O-CG 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.4Å; Q187-L191 PolarHBondContact O-N 2.82Å; Q187-L191 VanDerWaalsContact O-N 3.12Å; F189-L191 PolarHBondContact O-N 2.93Å; L191-M194 PolarHBondContact O-N 2.91Å; L191-N195 PolarHBondContact O-N 2.79Å |
| 192 | T | 62.3 | Low | 70 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 175 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | R188 F189 N195 M196 L399 Y408 | R188-T192 WeakPolarHBondContact O-CB 3.38Å; R188-T192 PolarHBondContact O-N 2.85Å; R188-T192 PolarHBondContact O-OG1 3.19Å; F189-T192 PolarHBondContact O-N 2.77Å; T192-N195 PolarHBondContact O-N 2.88Å; T192-M196 HydrophobicContact CG2-CE 4.32Å; T192-M196 PolarHBondContact O-N 3.32Å; T192-M196 VanDerWaalsContact O-N 3.13Å; T192-L399 HydrophobicContact CG2-CD2 4.41Å; T192-Y408 HydrophobicContact CG2-CE2 4.34Å |
| 193 | V | 74.9 | Confident | 70.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 173.4 | 165.1 | 0 | 0 | 0 | 0 | 111.6 | F189 L190 N195 M196 V197 L319 A320 I323 | F189-V193 HydrophobicContact CE1-CG2 4.31Å; F189-V193 HydrophobicContact CE2-CG2 4.24Å; F189-V193 HydrophobicContact CZ-CG2 4.15Å; F189-V193 WeakPolarHBondContact O-CB 3.44Å; F189-V193 WeakPolarHBondContact O-CG2 3.29Å; F189-V193 PolarHBondContact O-N 2.86Å; L190-V193 PolarHBondContact O-N 2.89Å; V193-N195 VanDerWaalsContact C-N 3.31Å; V193-N195 PolarHBondContact O-N 3.15Å; V193-M196 HydrophobicContact CG2-CE 4.09Å; V193-M196 WeakPolarHBondContact O-CB 3.31Å; V193-M196 PolarHBondContact O-N 3.5Å; V193-M196 VanDerWaalsContact O-N 3.15Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.33Å; V193-L319 HydrophobicContact CG1-CB 4.32Å; V193-L319 HydrophobicContact CG1-CD2 4.18Å; V193-L319 HydrophobicContact CG1-CG 4Å; V193-L319 HydrophobicContact CG2-CB 4.5Å; V193-L319 HydrophobicContact CG2-CD2 4.43Å; V193-A320 HydrophobicContact CG1-CB 4.11Å; V193-I323 HydrophobicContact CG1-CD1 3.8Å |
| 194 | M | 77.8 | Confident | 71 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.044 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -29.5 | 178.6 | -68.8 | -53.6 | -56.9 | 0 | 0 | 113.8 | T169 V171 L190 L191 V197 D198 I212 V214 I323 | T169-M194 HydrophobicContact CG2-CE 3.78Å; V171-M194 HydrophobicContact CG2-CE 4.41Å; V171-M194 HydrophobicContact CG2-CG 3.8Å; V171-M194 HydrophobicContact CG2-SD 3.86Å; L190-M194 WeakPolarHBondContact O-CG 3.35Å; L190-M194 PolarHBondContact O-N 2.9Å; L191-M194 PolarHBondContact O-N 2.91Å; M194-V197 HydrophobicContact CE-CB 4.47Å; M194-V197 HydrophobicContact CE-CG1 4.37Å; M194-V197 WeakPolarHBondContact O-CB 3.49Å; M194-V197 PolarHBondContact O-N 3.24Å; M194-D198 PolarHBondContact O-N 2.98Å; M194-I212 HydrophobicContact CE-CG2 3.74Å; M194-V214 HydrophobicContact CB-CG2 3.9Å; M194-V214 HydrophobicContact CE-CG2 4.2Å; M194-V214 HydrophobicContact CG-CG2 3.93Å; M194-I323 HydrophobicContact SD-CD1 4.36Å; M194-I323 HydrophobicContact SD-CG2 4.12Å |
| 195 | N | 71.6 | Confident | 72.3 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 172.1 | -176.7 | 76.9 | 0 | 0 | 0 | 112 | L191 T192 V193 D198 S199 L399 | L191-N195 PolarHBondContact O-N 2.79Å; T192-N195 PolarHBondContact O-N 2.88Å; V193-N195 VanDerWaalsContact C-N 3.31Å; V193-N195 PolarHBondContact O-N 3.15Å; N195-D198 PolarHBondContact O-N 3.45Å; N195-S199 PolarHBondContact O-N 2.03Å; N195-S199 VanDerWaalsContact O-N 3.12Å; N195-L399 HydrophobicContact CB-CD2 3.96Å |
| 196 | M | 68.1 | Low | 73.3 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 14% | 0.138 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 171.7 | -67 | -173.7 | -76.2 | 0 | 0 | 111.5 | T192 V193 S199 M200 L317 A320 | T192-M196 HydrophobicContact CG2-CE 4.32Å; T192-M196 PolarHBondContact O-N 3.32Å; T192-M196 VanDerWaalsContact O-N 3.13Å; V193-M196 HydrophobicContact CG2-CE 4.09Å; V193-M196 WeakPolarHBondContact O-CB 3.31Å; V193-M196 PolarHBondContact O-N 3.5Å; V193-M196 VanDerWaalsContact O-N 3.15Å; M196-S199 WeakPolarHBondContact O-CB 3.38Å; M196-S199 PolarHBondContact O-N 3.39Å; M196-M200 WeakPolarHBondContact O-CG 3.15Å; M196-M200 PolarHBondContact O-N 2.83Å; M196-M200 VanDerWaalsContact O-N 3.07Å; M196-L317 HydrophobicContact CE-CD2 4.38Å; M196-A320 HydrophobicContact CB-CB 3.65Å; M196-A320 HydrophobicContact CE-CB 4.06Å; M196-A320 HydrophobicContact SD-CB 4.49Å |
| 197 | V | 79.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | V193 M194 S199 M200 F201 I212 A320 I323 A324 L327 | V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.33Å; M194-V197 HydrophobicContact CE-CB 4.47Å; M194-V197 HydrophobicContact CE-CG1 4.37Å; M194-V197 WeakPolarHBondContact O-CB 3.49Å; M194-V197 PolarHBondContact O-N 3.24Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 2.83Å; V197-M200 WeakPolarHBondContact O-CB 3.42Å; V197-M200 PolarHBondContact O-N 3.01Å; V197-F201 HydrophobicContact CG1-CD2 3.83Å; V197-F201 HydrophobicContact CG1-CE2 3.79Å; V197-F201 WeakPolarHBondContact O-CD2 3.41Å; V197-F201 PolarHBondContact O-N 3.45Å; V197-F201 VanDerWaalsContact O-N 3.1Å; V197-I212 HydrophobicContact CG1-CG1 4.39Å; V197-A320 HydrophobicContact CG2-CB 4.19Å; V197-A320 WeakPolarHBondContact CG2-O 3.23Å; V197-I323 HydrophobicContact CG1-CG2 4.26Å; V197-I323 HydrophobicContact CG2-CB 3.99Å; V197-I323 HydrophobicContact CG2-CG2 3.81Å; V197-A324 HydrophobicContact CG1-CB 4.47Å; V197-L327 HydrophobicContact CG1-CD1 3.9Å |
| 198 | D | 80.3 | Confident | 74.2 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 177 | -175.2 | 46 | 0 | 0 | 0 | 112 | I32 M194 N195 M200 F201 Q202 I212 | I32-D198 WeakPolarHBondContact CD1-OD2 3.31Å; M194-D198 PolarHBondContact O-N 2.98Å; N195-D198 PolarHBondContact O-N 3.45Å; D198-M200 VanDerWaalsContact C-N 3.34Å; D198-M200 PolarHBondContact O-N 2.74Å; D198-F201 PolarHBondContact O-N 3.01Å; D198-Q202 WeakPolarHBondContact O-CG 3.48Å; D198-Q202 PolarHBondContact O-N 3.46Å; D198-Q202 PolarHBondContact OD1-NE2 2.71Å; D198-Q202 PolarHBondContact OD2-NE2 2.77Å; D198-I212 HydrophobicContact CB-CB 4.02Å; D198-I212 HydrophobicContact CB-CG1 4.37Å; D198-I212 PolarHBondContact OD1-N 3.04Å |
| 199 | S | 71.9 | Confident | 75 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 173.9 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | N195 M196 V197 F201 Q202 H203 | N195-S199 PolarHBondContact O-N 2.03Å; N195-S199 VanDerWaalsContact O-N 3.12Å; M196-S199 WeakPolarHBondContact O-CB 3.38Å; M196-S199 PolarHBondContact O-N 3.39Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 2.83Å; S199-F201 PolarHBondContact O-N 3.49Å; S199-Q202 PolarHBondContact O-N 3.29Å; S199-H203 PolarHBondContact O-N 3Å |
| 200 | M | 78.1 | Confident | 75.6 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.2 | -68.6 | 172.7 | -174.8 | 0 | 0 | 111.9 | M196 V197 D198 Q202 H203 A320 A324 I348 P359 W364 | M196-M200 WeakPolarHBondContact O-CG 3.15Å; M196-M200 PolarHBondContact O-N 2.83Å; M196-M200 VanDerWaalsContact O-N 3.07Å; V197-M200 WeakPolarHBondContact O-CB 3.42Å; V197-M200 PolarHBondContact O-N 3.01Å; D198-M200 VanDerWaalsContact C-N 3.34Å; D198-M200 PolarHBondContact O-N 2.74Å; M200-Q202 VanDerWaalsContact C-N 3.27Å; M200-Q202 PolarHBondContact O-N 2.73Å; M200-H203 VanDerWaalsContact O-CB 3.26Å; M200-H203 WeakPolarHBondContact O-CB 3.38Å; M200-H203 PolarHBondContact O-N 3.36Å; M200-A320 HydrophobicContact CE-CB 4.37Å; M200-A324 HydrophobicContact SD-CB 3.72Å; M200-I348 HydrophobicContact CB-CD1 4.3Å; M200-I348 HydrophobicContact CG-CD1 4.48Å; M200-P359 HydrophobicContact CE-CB 3.91Å; M200-W364 PolarHBondContact O-NE1 2.84Å |
| 201 | F | 81.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.5 | -12.4 | 177.5 | -78 | -71.8 | 0 | 0 | 0 | 114.6 | V197 D198 S199 L206 V210 I212 A324 L327 M331 M333 W364 | V197-F201 HydrophobicContact CG1-CD2 3.83Å; V197-F201 HydrophobicContact CG1-CE2 3.79Å; V197-F201 WeakPolarHBondContact O-CD2 3.41Å; V197-F201 PolarHBondContact O-N 3.45Å; V197-F201 VanDerWaalsContact O-N 3.1Å; D198-F201 PolarHBondContact O-N 3.01Å; S199-F201 PolarHBondContact O-N 3.49Å; F201-L206 HydrophobicContact CD1-CD2 3.84Å; F201-V210 HydrophobicContact CB-CB 4.4Å; F201-I212 HydrophobicContact CB-CD1 4.12Å; F201-I212 HydrophobicContact CB-CG1 3.99Å; F201-I212 HydrophobicContact CD2-CD1 3.57Å; F201-I212 HydrophobicContact CD2-CG1 3.64Å; F201-I212 HydrophobicContact CE2-CD1 4.12Å; F201-I212 HydrophobicContact CE2-CG1 4.49Å; F201-I212 HydrophobicContact CG-CD1 3.85Å; F201-I212 HydrophobicContact CG-CG1 4.07Å; F201-A324 HydrophobicContact CE2-CB 4.17Å; F201-A324 WeakPolarHBondContact CZ-O 3.06Å; F201-L327 HydrophobicContact CE2-CB 4.04Å; F201-L327 HydrophobicContact CE2-CD1 4.25Å; F201-L327 HydrophobicContact CZ-CB 3.88Å; F201-M331 HydrophobicContact CD1-CE 3.98Å; F201-M331 HydrophobicContact CE1-CE 3.27Å; F201-M331 HydrophobicContact CE2-CE 4.22Å; F201-M331 HydrophobicContact CZ-CE 3.41Å; F201-M331 VanDerWaalsContact CZ-CE 3.41Å; F201-M333 HydrophobicContact CE1-CE 4.32Å; F201-W364 HydrophobicContact CD1-CH2 4.17Å; F201-W364 AromaticContact CD1-CZ2 3.63Å; F201-W364 HydrophobicContact CD1-CZ2 3.63Å; F201-W364 HydrophobicContact CD2-CZ2 4.43Å; F201-W364 AromaticContact CE1-CH2 3.4Å; F201-W364 HydrophobicContact CE1-CH2 3.4Å; F201-W364 VanDerWaalsContact CE1-CH2 3.4Å; F201-W364 AromaticContact CE1-CZ2 3.34Å; F201-W364 HydrophobicContact CE1-CZ2 3.34Å; F201-W364 HydrophobicContact CE1-CZ3 4.42Å; F201-W364 HydrophobicContact CE2-CH2 4.39Å; F201-W364 HydrophobicContact CE2-CZ2 4.23Å; F201-W364 HydrophobicContact CG-CZ2 4.16Å; F201-W364 AromaticContact CZ-CH2 3.54Å; F201-W364 HydrophobicContact CZ-CH2 3.54Å; F201-W364 AromaticContact CZ-CZ2 3.68Å; F201-W364 HydrophobicContact CZ-CZ2 3.68Å |
| 202 | Q | 76.4 | Confident | 76.4 | Confident | 88 Ų | 88 | 40 Ų | 40 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.8 | 170.2 | -69.1 | 176.5 | 33.5 | 0 | 0 | 113.5 | D198 S199 M200 | D198-Q202 WeakPolarHBondContact O-CG 3.48Å; D198-Q202 PolarHBondContact O-N 3.46Å; D198-Q202 PolarHBondContact OD1-NE2 2.71Å; D198-Q202 PolarHBondContact OD2-NE2 2.77Å; S199-Q202 PolarHBondContact O-N 3.29Å; M200-Q202 VanDerWaalsContact C-N 3.27Å; M200-Q202 PolarHBondContact O-N 2.73Å |
| 203 | H | 76.1 | Confident | 77 | Confident | 83 Ų | 83 | 40.7 Ų | 40.7 | 38% | 0.384 | 22% | 0.219 | S | C | . | . | trans | -64 | 136.6 | -177.5 | -170.7 | -103.1 | 0 | 0 | 0 | 112.9 | S199 M200 S205 L206 | S199-H203 PolarHBondContact O-N 3Å; M200-H203 VanDerWaalsContact O-CB 3.26Å; M200-H203 WeakPolarHBondContact O-CB 3.38Å; M200-H203 PolarHBondContact O-N 3.36Å; H203-S205 WeakPolarHBondContact ND1-CB 3.44Å; H203-S205 PolarHBondContact ND1-N 2.97Å; H203-S205 PolarHBondContact ND1-OG 3.27Å; H203-S205 PolarHBondContact O-N 3.37Å; H203-S205 VanDerWaalsContact O-N 3.08Å; H203-L206 PolarHBondContact O-N 3.16Å; H203-L206 VanDerWaalsContact O-N 3.13Å | ||
| 204 | K | 75.5 | Confident | 77.1 | Confident | 164 Ų | 164 | 41.1 Ų | 41.1 | 71% | 0.713 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -58.2 | -28.8 | -173.2 | -68.5 | -176.6 | 179.6 | -179.7 | 0 | 113.8 | L206 G207 | K204-L206 PolarHBondContact O-N 3.03Å; K204-G207 PolarHBondContact O-N 2.78Å |
| 205 | S | 80.6 | Confident | 76.8 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -67.8 | -17.7 | -179 | 74.6 | 0 | 0 | 0 | 0 | 114.4 | H203 G207 W364 | H203-S205 WeakPolarHBondContact ND1-CB 3.44Å; H203-S205 PolarHBondContact ND1-N 2.97Å; H203-S205 PolarHBondContact ND1-OG 3.27Å; H203-S205 PolarHBondContact O-N 3.37Å; H203-S205 VanDerWaalsContact O-N 3.08Å; S205-G207 VanDerWaalsContact C-N 3.26Å; S205-G207 PolarHBondContact O-N 3.11Å; S205-W364 WeakPolarHBondContact CB-O 3.3Å; S205-W364 PolarHBondContact OG-N 2.96Å; S205-W364 PolarHBondContact OG-O 3.47Å; S205-W364 VanDerWaalsContact OG-O 3.05Å |
| 206 | L | 81.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -73 | -18.4 | 176.9 | -168.1 | 54.4 | 0 | 0 | 0 | 112.9 | F201 H203 K204 V208 M333 W364 S369 L372 | F201-L206 HydrophobicContact CD1-CD2 3.84Å; H203-L206 PolarHBondContact O-N 3.16Å; H203-L206 VanDerWaalsContact O-N 3.13Å; K204-L206 PolarHBondContact O-N 3.03Å; L206-V208 PolarHBondContact O-N 3.34Å; L206-M333 HydrophobicContact CD1-CE 3.71Å; L206-W364 HydrophobicContact CB-CB 4.41Å; L206-W364 HydrophobicContact CB-CG 4.06Å; L206-W364 HydrophobicContact CD1-CB 4.01Å; L206-W364 HydrophobicContact CD1-CD2 3.83Å; L206-W364 HydrophobicContact CD1-CE3 4.3Å; L206-W364 HydrophobicContact CD1-CG 3.69Å; L206-W364 HydrophobicContact CG-CG 4.33Å; L206-S369 WeakPolarHBondContact O-CB 3.41Å; L206-S369 PolarHBondContact O-OG 3.47Å; L206-L372 HydrophobicContact CD1-CD2 3.65Å; L206-L372 HydrophobicContact CD2-CD2 3.84Å; L206-L372 HydrophobicContact CG-CD2 3.74Å |
| 207 | G | 73.2 | Confident | 77.1 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 65% | 0.649 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 70.3 | -21.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K204 S205 | K204-G207 PolarHBondContact O-N 2.78Å; S205-G207 VanDerWaalsContact C-N 3.26Å; S205-G207 PolarHBondContact O-N 3.11Å |
| 208 | V | 77.3 | Confident | 77.1 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -123.1 | 134.8 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | Y165 L206 V210 L372 Q373 L376 | Y165-V208 HydrophobicContact CD2-CG1 3.58Å; Y165-V208 HydrophobicContact CE2-CG1 3.77Å; L206-V208 PolarHBondContact O-N 3.34Å; V208-V210 HydrophobicContact CG1-CG2 4.44Å; V208-L372 HydrophobicContact CB-CD2 4.4Å; V208-Q373 HydrophobicContact CG2-CG 3.66Å; V208-L376 HydrophobicContact CB-CD1 4.49Å; V208-L376 HydrophobicContact CG1-CD1 3.82Å |
| 209 | K | 75.6 | Confident | 77.1 | Confident | 130 Ų | 130 | 39.4 Ų | 39.4 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | trans | -84.5 | 113.9 | 175.3 | -66.1 | -175.8 | -179.8 | -177.5 | 0 | 110.5 | T164 Y165 | T164-K209 HydrophobicContact CG2-CB 4.27Å; Y165-K209 PolarHBondContact N-O 2.03Å | ||
| 210 | V | 81.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122 | 172.5 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | L167 F201 V208 I212 M331 L372 | L167-V210 HydrophobicContact CB-CG1 4.41Å; F201-V210 HydrophobicContact CB-CB 4.4Å; V208-V210 HydrophobicContact CG1-CG2 4.44Å; V210-I212 HydrophobicContact CG1-CD1 4.14Å; V210-M331 HydrophobicContact CG1-SD 4.22Å; V210-L372 HydrophobicContact CG2-CD2 4.1Å |
| 211 | N | 79.4 | Confident | 77.7 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.9 | 175.4 | -53.3 | -46.7 | 0 | 0 | 0 | 109.4 | Y165 T166 L167 | Y165-N211 PolarHBondContact O-N 3.14Å; T166-N211 WeakPolarHBondContact CA-O 3.49Å; L167-N211 PolarHBondContact N-O 3.4Å |
| 212 | I | 81.9 | Confident | 77.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.6 | 176.4 | -48.7 | -61.9 | 0 | 0 | 0 | 108.8 | L167 T169 M194 V197 D198 F201 V210 | L167-I212 HydrophobicContact CB-CD1 4Å; L167-I212 HydrophobicContact CD2-CD1 3.72Å; L167-I212 HydrophobicContact CG-CD1 4.5Å; T169-I212 HydrophobicContact CG2-CG2 4.21Å; M194-I212 HydrophobicContact CE-CG2 3.74Å; V197-I212 HydrophobicContact CG1-CG1 4.39Å; D198-I212 HydrophobicContact CB-CB 4.02Å; D198-I212 HydrophobicContact CB-CG1 4.37Å; D198-I212 PolarHBondContact OD1-N 3.04Å; F201-I212 HydrophobicContact CB-CD1 4.12Å; F201-I212 HydrophobicContact CB-CG1 3.99Å; F201-I212 HydrophobicContact CD2-CD1 3.57Å; F201-I212 HydrophobicContact CD2-CG1 3.64Å; F201-I212 HydrophobicContact CE2-CD1 4.12Å; F201-I212 HydrophobicContact CE2-CG1 4.49Å; F201-I212 HydrophobicContact CG-CD1 3.85Å; F201-I212 HydrophobicContact CG-CG1 4.07Å; V210-I212 HydrophobicContact CG1-CD1 4.14Å |
| 213 | K | 75 | Confident | 77.4 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.8 | 179.2 | -64.7 | -169.7 | -175.2 | 168 | 0 | 110.8 | I32 T166 L167 E168 T169 | I32-K213 WeakPolarHBondContact O-CB 3.11Å; I32-K213 VanDerWaalsContact O-CD 3.24Å; I32-K213 WeakPolarHBondContact O-CD 3.42Å; I32-K213 WeakPolarHBondContact O-CG 3.17Å; T166-K213 HydrophobicContact CG2-CB 4.48Å; T166-K213 HydrophobicContact CG2-CD 3.5Å; T166-K213 VanDerWaalsContact CG2-CD 3.5Å; T166-K213 HydrophobicContact CG2-CG 3.73Å; L167-K213 PolarHBondContact O-N 3Å; E168-K213 HydrophobicContact CG-CB 4.39Å; E168-K213 HydrophobicContact CG-CD 4.42Å; E168-K213 IonicContact OE1-NZ 3.12Å; T169-K213 PolarHBondContact N-O 2.81Å |
| 214 | V | 77.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 113.5 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | F37 T169 V171 M194 | F37-V214 HydrophobicContact CE2-CG1 4.09Å; T169-V214 HydrophobicContact CG2-CG2 4.2Å; T169-V214 CarbonylContact O-C 3.46Å; T169-V214 WeakPolarHBondContact O-CA 3.43Å; V171-V214 HydrophobicContact CG2-CG1 4.16Å; V171-V214 HydrophobicContact CG2-CG2 4.43Å; M194-V214 HydrophobicContact CB-CG2 3.9Å; M194-V214 HydrophobicContact CE-CG2 4.2Å; M194-V214 HydrophobicContact CG-CG2 3.93Å |
| 215 | N | 69.8 | Low | 77.2 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -35.9 | 179.1 | -82.4 | 9.7 | 0 | 0 | 0 | 112.4 | S34 E168 T169 | S34-N215 PolarHBondContact OG-O 2.76Å; E168-N215 PolarHBondContact OE2-ND2 2.87Å; T169-N215 PolarHBondContact O-N 3.3Å |
| 216 | K | 68.9 | Low | 76.8 | Confident | 57 Ų | 57 | 43 Ų | 43 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 144.5 | -179.1 | -178.6 | -179.9 | -70.5 | -164.5 | 0 | 110.7 | E40 V170 V171 V218 F248 | E40-K216 HydrophobicContact CB-CD 4.33Å; E40-K216 WeakPolarHBondContact OE2-CD 3.34Å; E40-K216 WeakPolarHBondContact OE2-CE 3.45Å; E40-K216 IonicContact OE2-NZ 3.88Å; E40-K216 PolarHBondContact OE2-NZ 2.92Å; V170-K216 HydrophobicContact CG1-CB 4.31Å; V170-K216 HydrophobicContact CG2-CB 4.1Å; V171-K216 PolarHBondContact N-O 3.47Å; K216-V218 HydrophobicContact CD-CG2 3.69Å; K216-V218 HydrophobicContact CG-CG2 3.91Å; K216-F248 HydrophobicContact CD-CE1 4.43Å |
| 217 | L | 78.2 | Confident | 77 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.4 | 165.9 | 178.6 | 66.7 | 0 | 0 | 0 | 109.4 | F37 V38 E40 V171 Q187 L190 L219 | F37-L217 HydrophobicContact CZ-CB 4.41Å; V38-L217 PolarHBondContact O-N 2.03Å; E40-L217 PolarHBondContact N-O 3.03Å; V171-L217 HydrophobicContact CB-CD1 3.82Å; V171-L217 HydrophobicContact CG1-CD1 3.75Å; V171-L217 WeakPolarHBondContact O-CA 3.45Å; Q187-L217 HydrophobicContact CB-CD2 4.15Å; Q187-L217 HydrophobicContact CG-CD2 3.77Å; L190-L217 HydrophobicContact CB-CD1 4.31Å; L190-L217 HydrophobicContact CD1-CD1 4.01Å; L217-L219 HydrophobicContact CD1-CD2 4.36Å; L217-L219 HydrophobicContact CD2-CD2 4.35Å; L217-L219 HydrophobicContact CG-CD2 4.21Å |
| 218 | V | 77.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.5 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | E40 V170 V171 V172 A173 K216 L220 F248 | E40-V218 HydrophobicContact CB-CG2 4.4Å; E40-V218 WeakPolarHBondContact O-CA 3.27Å; V170-V218 HydrophobicContact CG1-CG2 4.3Å; V171-V218 PolarHBondContact O-N 2.79Å; V172-V218 WeakPolarHBondContact CA-O 3.37Å; V172-V218 HydrophobicContact CG1-CB 4.38Å; V172-V218 HydrophobicContact CG2-CB 4.36Å; A173-V218 PolarHBondContact N-O 2.91Å; K216-V218 HydrophobicContact CD-CG2 3.69Å; K216-V218 HydrophobicContact CG-CG2 3.91Å; V218-L220 HydrophobicContact CG1-CD2 3.9Å; V218-L220 HydrophobicContact CG1-CG 4.43Å; V218-F248 HydrophobicContact CG2-CZ 4.22Å |
| 219 | L | 81.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 113 | 177.3 | -57 | -179.2 | 0 | 0 | 0 | 109.4 | E40 E41 R42 A173 V178 A183 A186 Q187 L217 | E40-L219 PolarHBondContact O-N 2.72Å; E41-L219 HydrophobicContact CG-CB 4.42Å; E41-L219 HydrophobicContact CG-CD1 4.24Å; R42-L219 PolarHBondContact N-O 2.94Å; A173-L219 HydrophobicContact CB-CD2 3.62Å; V178-L219 HydrophobicContact CG2-CB 4.1Å; V178-L219 HydrophobicContact CG2-CD2 4.38Å; A183-L219 HydrophobicContact CB-CD1 4.05Å; A183-L219 WeakPolarHBondContact O-CD1 3.44Å; A186-L219 HydrophobicContact CB-CD2 4.5Å; Q187-L219 HydrophobicContact CB-CD1 4.35Å; L217-L219 HydrophobicContact CD1-CD2 4.36Å; L217-L219 HydrophobicContact CD2-CD2 4.35Å; L217-L219 HydrophobicContact CG-CD2 4.21Å |
| 220 | L | 82.4 | Confident | 78 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.3 | -178.2 | -59.8 | 178.2 | 0 | 0 | 0 | 110.5 | R42 V172 A173 F175 V218 T222 P224 L227 | R42-L220 HydrophobicContact CB-CD2 4.26Å; R42-L220 HydrophobicContact CG-CD2 4.43Å; V172-L220 HydrophobicContact CG1-CD1 3.87Å; V172-L220 HydrophobicContact CG1-CG 4.23Å; A173-L220 WeakPolarHBondContact O-CB 3.46Å; A173-L220 WeakPolarHBondContact O-CG 3.25Å; A173-L220 PolarHBondContact O-N 3.37Å; F175-L220 VanDerWaalsContact CA-O 3.24Å; F175-L220 WeakPolarHBondContact CA-O 3.36Å; V218-L220 HydrophobicContact CG1-CD2 3.9Å; V218-L220 HydrophobicContact CG1-CG 4.43Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-P224 HydrophobicContact CD1-CG 4.45Å; L220-P224 HydrophobicContact CD2-CG 4.47Å; L220-L227 HydrophobicContact CD1-CD2 4Å |
| 221 | H | 79.4 | Confident | 77.7 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -86.7 | -0.6 | 170.6 | -65.6 | -108 | 0 | 0 | 0 | 113 | R42 L43 F175 | R42-H221 WeakPolarHBondContact O-CB 3.37Å; R42-H221 PolarHBondContact O-N 3.43Å; L43-H221 HydrophobicContact CD2-CB 4.21Å; F175-H221 WeakPolarHBondContact CD2-O 3.23Å; F175-H221 WeakPolarHBondContact CE2-O 3.4Å |
| 222 | T | 77.3 | Confident | 77.7 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -145.1 | 151.7 | 169.8 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | R44 L220 P224 | R44-T222 HydrophobicContact CB-CG2 4.16Å; R44-T222 HydrophobicContact CG-CG2 3.28Å; L220-T222 VanDerWaalsContact C-N 3.29Å; T222-P224 WeakPolarHBondContact O-CD 3.48Å |
| 223 | R | 75.3 | Confident | 77.6 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | trans | -78.1 | 123.5 | 170 | -61.4 | -166.6 | -161.2 | 159.4 | 10 | 110.1 | F175 N176 Y278 | F175-R223 HydrophobicContact CB-CG 3.55Å; F175-R223 HydrophobicContact CD1-CG 4.18Å; F175-R223 HydrophobicContact CG-CG 4.14Å; N176-R223 PolarHBondContact ND2-NH2 2.93Å; N176-R223 PolarHBondContact OD1-NH2 3.4Å; R223-Y278 PolarHBondContact NH1-OH 2.89Å; R223-Y278 PolarHBondContact NH2-OH 3.05Å | ||
| 224 | P | 77.6 | Confident | 77.9 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | trans | -64.6 | 140.9 | 171.8 | -19.3 | 31.8 | 0 | 0 | 0 | 111.2 | L220 T222 K226 L227 W243 | L220-P224 HydrophobicContact CD1-CG 4.45Å; L220-P224 HydrophobicContact CD2-CG 4.47Å; T222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-K226 PolarHBondContact O-N 2.91Å; P224-L227 HydrophobicContact CB-CB 4.3Å; P224-L227 HydrophobicContact CG-CB 4.38Å; P224-L227 PolarHBondContact O-N 2.89Å; P224-W243 HydrophobicContact CG-CZ2 4.3Å | ||
| 225 | E | 71.1 | Confident | 78.2 | Confident | 187 Ų | 187 | 61.9 Ų | 61.9 | 87% | 0.874 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.1 | -179.2 | -61.3 | -177.9 | 160.7 | 0 | 0 | 114.1 | ||
| 226 | K | 72.3 | Confident | 79 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10.4 | 179.6 | -63.8 | -177.8 | 175.3 | -174.3 | 0 | 114.3 | P224 | P224-K226 PolarHBondContact O-N 2.91Š|
| 227 | L | 83.6 | Confident | 79.9 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | trans | -109.1 | 101.6 | -178 | -177.1 | 63.4 | 0 | 0 | 0 | 109.9 | L220 P224 I229 F240 W243 | L220-L227 HydrophobicContact CD1-CD2 4Å; P224-L227 HydrophobicContact CB-CB 4.3Å; P224-L227 HydrophobicContact CG-CB 4.38Å; P224-L227 PolarHBondContact O-N 2.89Å; L227-I229 HydrophobicContact CD1-CD1 3.93Å; L227-I229 HydrophobicContact CD1-CG1 4.46Å; L227-I229 HydrophobicContact CG-CD1 4.26Å; L227-I229 HydrophobicContact CG-CG1 4.24Å; L227-F240 HydrophobicContact CD1-CB 4.05Å; L227-F240 HydrophobicContact CD1-CD2 4.01Å; L227-W243 HydrophobicContact CB-CB 4.46Å; L227-W243 HydrophobicContact CB-CD2 4.49Å; L227-W243 HydrophobicContact CB-CG 4.06Å; L227-W243 HydrophobicContact CD1-CB 3.95Å; L227-W243 HydrophobicContact CD1-CD2 4.34Å; L227-W243 HydrophobicContact CD1-CG 4.11Å; L227-W243 HydrophobicContact CD2-CD2 4.34Å | ||
| 228 | K | 82.9 | Confident | 80.3 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | trans | -105.9 | 95 | -176 | -65.5 | -174.8 | 179.3 | -177.5 | 0 | 110.5 | S239 | K228-S239 PolarHBondContact N-OG 3.23Š| ||
| 229 | I | 84.2 | Confident | 80.7 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | -93.8 | 132.7 | 172.7 | -50.5 | -54.5 | 0 | 0 | 0 | 109.8 | L227 L274 T276 Y278 | L227-I229 HydrophobicContact CD1-CD1 3.93Å; L227-I229 HydrophobicContact CD1-CG1 4.46Å; L227-I229 HydrophobicContact CG-CD1 4.26Å; L227-I229 HydrophobicContact CG-CG1 4.24Å; I229-L274 HydrophobicContact CD1-CD2 3.43Å; I229-L274 VanDerWaalsContact CD1-CD2 3.43Å; I229-L274 HydrophobicContact CG1-CD2 3.98Å; I229-T276 HydrophobicContact CG2-CG2 4.17Å; I229-Y278 HydrophobicContact CB-CD2 4.09Å; I229-Y278 HydrophobicContact CB-CE2 4.35Å; I229-Y278 HydrophobicContact CG2-CD2 3.47Å; I229-Y278 VanDerWaalsContact CG2-CD2 3.47Å; I229-Y278 HydrophobicContact CG2-CE2 4.21Å; I229-Y278 HydrophobicContact CG2-CG 4Å | ||
| 230 | S | 80.4 | Confident | 81.1 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | trans | -145.7 | 173.1 | -177.4 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | H232 S236 | S230-H232 PolarHBondContact O-N 2.96Å; S230-H232 PolarHBondContact OG-N 2.83Å; S230-S236 PolarHBondContact N-OG 3.04Å; S230-S236 PolarHBondContact O-OG 2.75Å; S230-S236 PolarHBondContact OG-OG 3.18Å | ||
| 231 | H | 76.4 | Confident | 81.3 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -63.5 | -23.7 | 174.5 | -65.3 | -66.6 | 0 | 0 | 0 | 114.1 | G233 Y278 A279 Y281 | H231-G233 PolarHBondContact O-N 3.43Å; H231-G233 VanDerWaalsContact O-N 3.16Å; H231-Y278 AromaticContact CE1-CD1 3.67Å; H231-Y278 AromaticContact NE2-CD1 3.9Å; H231-Y278 AromaticContact NE2-CE1 3.9Å; H231-A279 WeakPolarHBondContact CA-O 3.29Å; H231-A279 PolarHBondContact ND1-O 3.41Å; H231-Y281 HydrophobicContact CB-CD2 4.01Å; H231-Y281 HydrophobicContact CB-CE2 4.43Å; H231-Y281 PolarHBondContact O-N 3.11Å |
| 232 | H | 79.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -77.6 | 101.1 | 175.4 | -60.2 | -58.7 | 0 | 0 | 0 | 110.7 | S230 Q234 R235 S236 | S230-H232 PolarHBondContact O-N 2.96Å; S230-H232 PolarHBondContact OG-N 2.83Å; H232-Q234 PolarHBondContact O-N 2.79Å; H232-R235 HydrophobicContact CB-CB 4.31Å; H232-R235 HydrophobicContact CB-CG 4.35Å; H232-R235 PolarHBondContact CD2-NH1 2.85Å; H232-R235 PolarHBondContact O-N 2.68Å; H232-S236 PolarHBondContact O-N 3Å; H232-S236 PolarHBondContact O-OG 3.25Å |
| 233 | G | 78.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H231 R235 S236 L237 Y281 M296 | H231-G233 PolarHBondContact O-N 3.43Å; H231-G233 VanDerWaalsContact O-N 3.16Å; G233-R235 PolarHBondContact O-N 3.04Å; G233-S236 PolarHBondContact O-N 2.92Å; G233-L237 WeakPolarHBondContact O-CB 3.01Å; G233-L237 PolarHBondContact O-N 2.84Å; G233-Y281 PolarHBondContact N-O 2.26Å; G233-M296 VanDerWaalsContact CA-SD 3.58Å |
| 234 | Q | 81.7 | Confident | 82.1 | Confident | 128 Ų | 128 | 60 Ų | 60 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.1 | -45.6 | 178.9 | -175.9 | -175 | -16.1 | 0 | 0 | 112 | H232 L237 E238 M296 | H232-Q234 PolarHBondContact O-N 2.79Å; Q234-L237 PolarHBondContact O-N 3.35Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.35Å; Q234-E238 PolarHBondContact NE2-OE1 3.38Å; Q234-E238 WeakPolarHBondContact O-CB 3.42Å; Q234-E238 VanDerWaalsContact O-CG 3.3Å; Q234-E238 WeakPolarHBondContact O-CG 3Å; Q234-E238 PolarHBondContact O-N 3.04Å; Q234-M296 PolarHBondContact N-SD 2.98Å |
| 235 | R | 83.6 | Confident | 82 | Confident | 160 Ų | 160 | 61.2 Ų | 61.2 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.2 | -37.5 | 179.1 | -66.3 | -178.2 | -178.1 | 156 | 2.2 | 111.7 | H232 G233 S239 | H232-R235 HydrophobicContact CB-CB 4.31Å; H232-R235 HydrophobicContact CB-CG 4.35Å; H232-R235 PolarHBondContact CD2-NH1 2.85Å; H232-R235 PolarHBondContact O-N 2.68Å; G233-R235 PolarHBondContact O-N 3.04Å; R235-S239 WeakPolarHBondContact O-CB 3.26Å; R235-S239 PolarHBondContact O-N 3.26Å |
| 236 | S | 86.7 | Confident | 82 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.7 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | S230 H232 G233 F240 | S230-S236 PolarHBondContact N-OG 3.04Å; S230-S236 PolarHBondContact O-OG 2.75Å; S230-S236 PolarHBondContact OG-OG 3.18Å; H232-S236 PolarHBondContact O-N 3Å; H232-S236 PolarHBondContact O-OG 3.25Å; G233-S236 PolarHBondContact O-N 2.92Å; S236-F240 WeakPolarHBondContact O-CB 3.29Å; S236-F240 PolarHBondContact O-N 3.11Å |
| 237 | L | 87.2 | Confident | 81.8 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -55.8 | 172.7 | -178.7 | 64.8 | 0 | 0 | 0 | 109.9 | G233 Q234 S239 F240 C241 M296 Y298 C309 L311 | G233-L237 WeakPolarHBondContact O-CB 3.01Å; G233-L237 PolarHBondContact O-N 2.84Å; Q234-L237 PolarHBondContact O-N 3.35Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 2.85Å; L237-F240 PolarHBondContact O-N 2.87Å; L237-C241 PolarHBondContact O-N 3.09Å; L237-C241 PolarHBondContact O-SG 2.78Å; L237-M296 HydrophobicContact CD2-CB 4.06Å; L237-Y298 HydrophobicContact CD2-CD2 4.25Å; L237-Y298 HydrophobicContact CD2-CE2 4.08Å; L237-Y298 HydrophobicContact CG-CE2 4.27Å; L237-C309 HydrophobicContact CD1-CB 4.2Å; L237-L311 HydrophobicContact CD1-CB 4.06Å |
| 238 | E | 86.8 | Confident | 81 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -52.2 | -44.3 | 178.3 | -76.2 | 169.3 | -171.2 | 0 | 0 | 112.5 | Q234 C241 Q242 Y298 | Q234-E238 WeakPolarHBondContact CG-OE1 3.35Å; Q234-E238 PolarHBondContact NE2-OE1 3.38Å; Q234-E238 WeakPolarHBondContact O-CB 3.42Å; Q234-E238 VanDerWaalsContact O-CG 3.3Å; Q234-E238 WeakPolarHBondContact O-CG 3Å; Q234-E238 PolarHBondContact O-N 3.04Å; E238-C241 PolarHBondContact O-N 3.27Å; E238-Q242 WeakPolarHBondContact O-CB 3.41Å; E238-Q242 PolarHBondContact O-N 3.13Å; E238-Y298 WeakPolarHBondContact CG-OH 3.42Å |
| 239 | S | 87.1 | Confident | 79.6 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | K228 R235 L237 Q242 W243 | K228-S239 PolarHBondContact N-OG 3.23Å; R235-S239 WeakPolarHBondContact O-CB 3.26Å; R235-S239 PolarHBondContact O-N 3.26Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 2.85Å; S239-Q242 PolarHBondContact O-N 2.76Å; S239-W243 WeakPolarHBondContact O-CB 3.47Å; S239-W243 PolarHBondContact O-N 2.9Å |
| 240 | F | 88.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 175.9 | 175.8 | -121.3 | 0 | 0 | 0 | 112 | V172 L227 S236 L237 Q242 W243 Q244 A272 L274 C309 V310 | V172-F240 HydrophobicContact CB-CE2 4.46Å; V172-F240 HydrophobicContact CG2-CE2 4.24Å; V172-F240 HydrophobicContact CG2-CZ 4.35Å; L227-F240 HydrophobicContact CD1-CB 4.05Å; L227-F240 HydrophobicContact CD1-CD2 4.01Å; S236-F240 WeakPolarHBondContact O-CB 3.29Å; S236-F240 PolarHBondContact O-N 3.11Å; L237-F240 PolarHBondContact O-N 2.87Å; F240-Q242 VanDerWaalsContact C-N 3.32Å; F240-Q242 PolarHBondContact O-N 3.49Å; F240-W243 AromaticContact CD2-CE3 3.92Å; F240-W243 HydrophobicContact CD2-CE3 3.92Å; F240-W243 HydrophobicContact CD2-CZ3 4.43Å; F240-W243 AromaticContact CE2-CE3 3.81Å; F240-W243 HydrophobicContact CE2-CE3 3.81Å; F240-W243 AromaticContact CE2-CZ3 3.91Å; F240-W243 HydrophobicContact CE2-CZ3 3.91Å; F240-W243 PolarHBondContact O-N 3.39Å; F240-Q244 HydrophobicContact CE2-CB 4.46Å; F240-Q244 WeakPolarHBondContact O-CB 3.37Å; F240-Q244 PolarHBondContact O-N 3.29Å; F240-A272 HydrophobicContact CE1-CB 4.25Å; F240-A272 HydrophobicContact CZ-CB 3.86Å; F240-L274 HydrophobicContact CB-CD2 3.99Å; F240-L274 HydrophobicContact CD1-CB 3.69Å; F240-L274 HydrophobicContact CD1-CD2 4.42Å; F240-L274 HydrophobicContact CD2-CB 3.85Å; F240-L274 HydrophobicContact CD2-CD1 4.48Å; F240-L274 HydrophobicContact CD2-CD2 3.77Å; F240-L274 HydrophobicContact CD2-CG 4.26Å; F240-L274 HydrophobicContact CE1-CB 3.57Å; F240-L274 HydrophobicContact CE2-CB 3.74Å; F240-L274 HydrophobicContact CE2-CD1 4.38Å; F240-L274 HydrophobicContact CE2-CD2 4.4Å; F240-L274 HydrophobicContact CE2-CG 4.4Å; F240-L274 HydrophobicContact CG-CB 3.84Å; F240-L274 HydrophobicContact CG-CD2 3.79Å; F240-L274 HydrophobicContact CG-CG 4.42Å; F240-L274 HydrophobicContact CZ-CB 3.61Å; F240-C309 HydrophobicContact CD1-CB 3.96Å; F240-C309 HydrophobicContact CE1-CB 4.14Å; F240-V310 WeakPolarHBondContact CE1-O 3.25Å |
| 241 | C | 86.3 | Confident | 75.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 174.8 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | L237 E238 H245 C309 | L237-C241 PolarHBondContact O-N 3.09Å; L237-C241 PolarHBondContact O-SG 2.78Å; E238-C241 PolarHBondContact O-N 3.27Å; C241-H245 VanDerWaalsContact O-CB 3.31Å; C241-H245 WeakPolarHBondContact O-CB 3.41Å; C241-H245 PolarHBondContact O-N 2.97Å; C241-C309 HydrophobicContact CB-CB 3.86Å; C241-C309 WeakPolarHBondContact CB-SG 2.99Å; C241-C309 WeakPolarHBondContact SG-CB 3.45Å; C241-C309 CovalentContact SG-SG 2.01Å; C241-C309 PolarHBondContact SG-SG 2.79Å |
| 242 | Q | 84.2 | Confident | 73.2 | Confident | 122 Ų | 122 | 60.5 Ų | 60.5 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 177.7 | -171.7 | 178.9 | 13.4 | 0 | 0 | 112.1 | E238 S239 F240 Q246 | E238-Q242 WeakPolarHBondContact O-CB 3.41Å; E238-Q242 PolarHBondContact O-N 3.13Å; S239-Q242 PolarHBondContact O-N 2.76Å; F240-Q242 VanDerWaalsContact C-N 3.32Å; F240-Q242 PolarHBondContact O-N 3.49Å; Q242-Q246 WeakPolarHBondContact O-CG 3.04Å; Q242-Q246 PolarHBondContact O-N 2.84Å |
| 243 | W | 83.9 | Confident | 71.1 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -48.6 | 176.1 | 179.3 | 81 | 0 | 0 | 0 | 111.8 | V172 P224 L227 S239 F240 H245 Q246 E247 F248 | V172-W243 HydrophobicContact CG1-CH2 4.22Å; V172-W243 HydrophobicContact CG1-CZ3 4.18Å; V172-W243 HydrophobicContact CG2-CZ3 4.18Å; P224-W243 HydrophobicContact CG-CZ2 4.3Å; L227-W243 HydrophobicContact CB-CB 4.46Å; L227-W243 HydrophobicContact CB-CD2 4.49Å; L227-W243 HydrophobicContact CB-CG 4.06Å; L227-W243 HydrophobicContact CD1-CB 3.95Å; L227-W243 HydrophobicContact CD1-CD2 4.34Å; L227-W243 HydrophobicContact CD1-CG 4.11Å; L227-W243 HydrophobicContact CD2-CD2 4.34Å; S239-W243 WeakPolarHBondContact O-CB 3.47Å; S239-W243 PolarHBondContact O-N 2.9Å; F240-W243 AromaticContact CD2-CE3 3.92Å; F240-W243 HydrophobicContact CD2-CE3 3.92Å; F240-W243 HydrophobicContact CD2-CZ3 4.43Å; F240-W243 AromaticContact CE2-CE3 3.81Å; F240-W243 HydrophobicContact CE2-CE3 3.81Å; F240-W243 AromaticContact CE2-CZ3 3.91Å; F240-W243 HydrophobicContact CE2-CZ3 3.91Å; F240-W243 PolarHBondContact O-N 3.39Å; W243-H245 VanDerWaalsContact C-N 3.3Å; W243-H245 PolarHBondContact O-N 2.88Å; W243-Q246 PolarHBondContact O-N 2.93Å; W243-Q246 VanDerWaalsContact O-N 3.09Å; W243-E247 HydrophobicContact CD2-CG 4Å; W243-E247 HydrophobicContact CG-CG 4.42Å; W243-E247 HydrophobicContact CH2-CG 4.32Å; W243-E247 HydrophobicContact CZ2-CG 3.76Å; W243-E247 WeakPolarHBondContact O-CG 3.49Å; W243-E247 PolarHBondContact O-N 3.1Å; W243-F248 HydrophobicContact CH2-CE2 4.15Å; W243-F248 HydrophobicContact CH2-CZ 4.3Å; W243-F248 AromaticContact CZ3-CE2 3.8Å; W243-F248 HydrophobicContact CZ3-CE2 3.8Å; W243-F248 HydrophobicContact CZ3-CZ 4.38Å |
| 244 | Q | 80.8 | Confident | 68.6 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51.8 | -48.7 | 174 | 176 | -71.6 | -71.3 | 0 | 0 | 110.9 | F240 Q246 E247 F248 S249 A272 K308 | F240-Q244 HydrophobicContact CE2-CB 4.46Å; F240-Q244 WeakPolarHBondContact O-CB 3.37Å; F240-Q244 PolarHBondContact O-N 3.29Å; Q244-Q246 VanDerWaalsContact C-N 3.32Å; Q244-Q246 PolarHBondContact O-N 3.4Å; Q244-E247 PolarHBondContact O-N 2.97Å; Q244-F248 HydrophobicContact CB-CD2 4.5Å; Q244-F248 HydrophobicContact CG-CD2 4.16Å; Q244-F248 WeakPolarHBondContact O-CD2 3.36Å; Q244-F248 PolarHBondContact O-N 3.09Å; Q244-S249 PolarHBondContact NE2-OG 3.4Å; Q244-A272 HydrophobicContact CG-CB 3.57Å; Q244-K308 VanDerWaalsContact OE1-CE 3.25Å |
| 245 | H | 75.8 | Confident | 66.1 | Low | 57 Ų | 57 | 69.3 Ų | 69.3 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 179.7 | -175.3 | 65.3 | 0 | 0 | 0 | 112.1 | C241 W243 S249 A305 | C241-H245 VanDerWaalsContact O-CB 3.31Å; C241-H245 WeakPolarHBondContact O-CB 3.41Å; C241-H245 PolarHBondContact O-N 2.97Å; W243-H245 VanDerWaalsContact C-N 3.3Å; W243-H245 PolarHBondContact O-N 2.88Å; H245-S249 WeakPolarHBondContact O-CA 3.17Å; H245-S249 WeakPolarHBondContact O-CB 3Å; H245-S249 PolarHBondContact O-N 3.26Å; H245-S249 VanDerWaalsContact O-N 3.12Å; H245-A305 PolarHBondContact CE1-O 3.43Å; H245-A305 PolarHBondContact ND1-O 3.3Å |
| 246 | Q | 71.6 | Confident | 63.5 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 177.3 | -71.3 | 178.5 | 38.4 | 0 | 0 | 113.1 | Q242 W243 Q244 V250 | Q242-Q246 WeakPolarHBondContact O-CG 3.04Å; Q242-Q246 PolarHBondContact O-N 2.84Å; W243-Q246 PolarHBondContact O-N 2.93Å; W243-Q246 VanDerWaalsContact O-N 3.09Å; Q244-Q246 VanDerWaalsContact C-N 3.32Å; Q244-Q246 PolarHBondContact O-N 3.4Å; Q246-V250 WeakPolarHBondContact O-CG2 3.22Å |
| 247 | E | 68.5 | Low | 60.9 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -80.1 | -38.1 | -176.1 | -68.1 | -75.8 | 137.4 | 0 | 0 | 113.4 | R42 W243 Q244 | R42-E247 IonicContact CZ-OE2 3.74Å; R42-E247 VanDerWaalsContact CZ-OE2 3.26Å; R42-E247 IonicContact NH1-OE1 2.84Å; R42-E247 IonicContact NH1-OE2 3.77Å; R42-E247 PolarHBondContact NH1-OE2 2.03Å; R42-E247 IonicContact NH2-OE2 2.8Å; R42-E247 PolarHBondContact NH2-OE2 3.12Å; W243-E247 HydrophobicContact CD2-CG 4Å; W243-E247 HydrophobicContact CG-CG 4.42Å; W243-E247 HydrophobicContact CH2-CG 4.32Å; W243-E247 HydrophobicContact CZ2-CG 3.76Å; W243-E247 WeakPolarHBondContact O-CG 3.49Å; W243-E247 PolarHBondContact O-N 3.1Å; Q244-E247 PolarHBondContact O-N 2.97Å |
| 248 | F | 66.4 | Low | 58.2 | Low | 22 Ų | 22 | 82.7 Ų | 82.7 | 10% | 0.096 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -121.3 | 15 | -170.2 | -47.2 | -73.4 | 0 | 0 | 0 | 113.5 | V170 K216 V218 W243 Q244 P268 V269 | V170-F248 HydrophobicContact CG1-CE1 4.36Å; V170-F248 HydrophobicContact CG1-CE2 4.41Å; V170-F248 HydrophobicContact CG1-CZ 4.07Å; K216-F248 HydrophobicContact CD-CE1 4.43Å; V218-F248 HydrophobicContact CG2-CZ 4.22Å; W243-F248 HydrophobicContact CH2-CE2 4.15Å; W243-F248 HydrophobicContact CH2-CZ 4.3Å; W243-F248 AromaticContact CZ3-CE2 3.8Å; W243-F248 HydrophobicContact CZ3-CE2 3.8Å; W243-F248 HydrophobicContact CZ3-CZ 4.38Å; Q244-F248 HydrophobicContact CB-CD2 4.5Å; Q244-F248 HydrophobicContact CG-CD2 4.16Å; Q244-F248 WeakPolarHBondContact O-CD2 3.36Å; Q244-F248 PolarHBondContact O-N 3.09Å; F248-P268 VanDerWaalsContact O-CG 3.3Å; F248-P268 WeakPolarHBondContact O-CG 3.44Å; F248-V269 HydrophobicContact CB-CG2 4.12Å |
| 249 | S | 52.7 | Low | 55.3 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -136.7 | 13.7 | 174.2 | -46.4 | 0 | 0 | 0 | 0 | 113.5 | Q244 H245 | Q244-S249 PolarHBondContact NE2-OG 3.4Å; H245-S249 WeakPolarHBondContact O-CA 3.17Å; H245-S249 WeakPolarHBondContact O-CB 3Å; H245-S249 PolarHBondContact O-N 3.26Å; H245-S249 VanDerWaalsContact O-N 3.12Å |
| 250 | V | 41.6 | Very low | 52.4 | Low | 86 Ų | 86 | 91.6 Ų | 91.6 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -116.7 | 121 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | Q246 R252 | Q246-V250 WeakPolarHBondContact O-CG2 3.22Å; V250-R252 PolarHBondContact O-N 3.19Å |
| 251 | P | 36.3 | Very low | 49.7 | Very low | 100 Ų | 100 | 94.9 Ų | 94.9 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | trans | -62.1 | 129 | 173.2 | -21.9 | 33.3 | 0 | 0 | 0 | 111.1 | Y253 | P251-Y253 WeakPolarHBondContact O-CD2 3.14Å; P251-Y253 PolarHBondContact O-N 2.84Å | ||
| 252 | R | 30 | Very low | 46.8 | Very low | 231 Ų | 231 | 96.9 Ų | 96.9 | 87% | 0.872 | 53% | 0.533 | S | S | * | . | trans | -73.6 | 110 | 167.7 | -85.4 | -176.2 | 173 | 157.5 | 0.2 | 108.8 | V250 | V250-R252 PolarHBondContact O-N 3.19Š| ||
| 253 | Y | 34 | Very low | 44.3 | Very low | 150 Ų | 150 | 102.8 Ų | 102.8 | 59% | 0.588 | 55% | 0.55 | S | S | * | * | trans | -64.2 | 133 | 179.7 | -75.8 | -97.1 | 0 | 0 | 0 | 112.4 | P251 | P251-Y253 WeakPolarHBondContact O-CD2 3.14Å; P251-Y253 PolarHBondContact O-N 2.84Å | ||
| 254 | L | 27.4 | Very low | 41.7 | Very low | 186 Ų | 186 | 112.5 Ų | 112.5 | 97% | 0.974 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -120.1 | 91.1 | 156.2 | -103 | 162.7 | 0 | 0 | 0 | 106.9 | ||
| 255 | G | 28.3 | Very low | 39.4 | Very low | 55 Ų | 55 | 118.7 Ų | 118.7 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 100.3 | 156.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N257 | G255-N257 PolarHBondContact O-N 3.14Š|
| 256 | T | 30.1 | Very low | 37.7 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -84.3 | 93.6 | -178 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 257 | N | 32 | Very low | 36.4 | Very low | 154 Ų | 154 | 118 Ų | 118 | 82% | 0.824 | 63% | 0.626 | S | S | * | * | trans | 177.8 | 106.7 | 143.4 | -91.3 | -25.2 | 0 | 0 | 0 | 110.4 | G255 | G255-N257 PolarHBondContact O-N 3.14Š| ||
| 258 | H | 29.2 | Very low | 35.8 | Very low | 159 Ų | 159 | 119 Ų | 119 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -150.9 | 143 | 145.1 | -138 | -79 | 0 | 0 | 0 | 113 | ||||
| 259 | I | 26.2 | Very low | 35.9 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 79% | 0.79 | 64% | 0.636 | S | S | * | * | trans | -85.5 | 139.1 | 174.4 | -63.6 | 158.5 | 0 | 0 | 0 | 108 | ||||
| 260 | T | 26.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 117 Ų | 117 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -80.8 | 139.3 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 261 | G | 32 | Very low | 39.2 | Very low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | trans | 110.4 | 33.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 262 | G | 25.8 | Very low | 41.6 | Very low | 48 Ų | 48 | 108.2 Ų | 108.2 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | trans | -69.9 | 130.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y264 D265 | G262-Y264 PolarHBondContact O-N 3.48Å; G262-D265 PolarHBondContact O-N 2.81Å | ||
| 263 | R | 30.2 | Very low | 44.6 | Very low | 246 Ų | 246 | 97.2 Ų | 97.2 | 93% | 0.928 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 9.8 | 175.2 | -91.1 | -172.6 | 177.7 | -175.2 | 0.1 | 114.8 | ||
| 264 | Y | 31 | Very low | 47.4 | Very low | 207 Ų | 207 | 90 Ų | 90 | 81% | 0.812 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | 21.3 | -176 | -69 | -77.6 | 0 | 0 | 0 | 113.2 | G262 V266 | G262-Y264 PolarHBondContact O-N 3.48Å; Y264-V266 PolarHBondContact O-N 3.18Å |
| 265 | D | 31.8 | Very low | 50.4 | Low | 129 Ų | 129 | 81.2 Ų | 81.2 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | trans | -71.3 | 78.4 | 166.3 | -69.9 | -28.7 | 0 | 0 | 0 | 109.4 | G262 | G262-D265 PolarHBondContact O-N 2.81Š| ||
| 266 | V | 40 | Very low | 53.2 | Low | 79 Ų | 79 | 78.6 Ų | 78.6 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | trans | -60.4 | 123 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | Y264 | Y264-V266 PolarHBondContact O-N 3.18Š| ||
| 267 | P | 45.3 | Very low | 55.6 | Low | 34 Ų | 34 | 75.2 Ų | 75.2 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | trans | -64.1 | 139 | 179.4 | -14.5 | 27.2 | 0 | 0 | 0 | 109.5 | V269 | P267-V269 PolarHBondContact O-N 2.84Š| ||
| 268 | P | 55.6 | Low | 57.9 | Low | 86 Ų | 86 | 70.1 Ų | 70.1 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -71.1 | 9 | -176.5 | 30.7 | -37.6 | 0 | 0 | 0 | 114.3 | F248 | F248-P268 VanDerWaalsContact O-CG 3.3Å; F248-P268 WeakPolarHBondContact O-CG 3.44Å |
| 269 | V | 67.6 | Low | 59.8 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | trans | -158.3 | 123.6 | -174.2 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | V170 F248 P267 T271 K308 | V170-V269 HydrophobicContact CB-CG1 4.11Å; V170-V269 HydrophobicContact CG2-CB 4.27Å; V170-V269 HydrophobicContact CG2-CG1 3.69Å; V170-V269 HydrophobicContact CG2-CG2 3.5Å; V170-V269 VanDerWaalsContact CG2-CG2 3.5Å; F248-V269 HydrophobicContact CB-CG2 4.12Å; P267-V269 PolarHBondContact O-N 2.84Å; V269-T271 WeakPolarHBondContact CG1-O 3.35Å; V269-K308 PolarHBondContact O-NZ 3.21Å | ||
| 270 | D | 77.4 | Confident | 62.1 | Low | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -77.2 | -37.1 | 179.1 | -62.1 | -29.5 | 0 | 0 | 0 | 112.2 | L167 E168 C303 K308 C385 L386 | L167-D270 HydrophobicContact CD1-CB 4Å; E168-D270 PolarHBondContact N-OD2 3.16Å; E168-D270 WeakPolarHBondContact O-CA 2.98Å; E168-D270 WeakPolarHBondContact O-CB 3.28Å; E168-D270 PolarHBondContact O-N 3.19Å; D270-C303 PolarHBondContact O-N 3.09Å; D270-K308 VanDerWaalsContact O-CB 3.28Å; D270-K308 WeakPolarHBondContact O-CB 3.23Å; D270-K308 WeakPolarHBondContact O-CD 3.25Å; D270-C385 VanDerWaalsContact OD1-CB 3.22Å; D270-C385 WeakPolarHBondContact OD1-CB 3Å; D270-C385 PolarHBondContact OD1-SG 3.31Å; D270-L386 HydrophobicContact CB-CD2 4.11Å |
| 271 | T | 85.9 | Confident | 64.4 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156 | 178 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | L167 E168 T169 V170 V269 A302 K308 N330 | L167-T271 HydrophobicContact CD1-CG2 3.75Å; L167-T271 HydrophobicContact CD2-CG2 4.49Å; L167-T271 HydrophobicContact CG-CG2 4.44Å; E168-T271 PolarHBondContact O-N 3.06Å; T169-T271 VanDerWaalsContact CA-O 3.23Å; T169-T271 WeakPolarHBondContact CA-O 3.44Å; T169-T271 WeakPolarHBondContact CB-OG1 3.46Å; T169-T271 PolarHBondContact OG1-O 2.99Å; T169-T271 VanDerWaalsContact OG1-O 3.11Å; T169-T271 PolarHBondContact OG1-OG1 2.83Å; V170-T271 PolarHBondContact N-O 2.9Å; V269-T271 WeakPolarHBondContact CG1-O 3.35Å; T271-A302 HydrophobicContact CG2-CB 3.95Å; T271-K308 CarbonylContact C-O 3.6Å; T271-K308 VanDerWaalsContact CA-O 3.29Å; T271-K308 WeakPolarHBondContact CA-O 3.34Å; T271-N330 VanDerWaalsContact CG2-OD1 3.28Å; T271-N330 WeakPolarHBondContact CG2-OD1 3.35Å |
| 272 | A | 88.1 | Confident | 66.1 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V170 F240 Q244 K308 C309 V310 | V170-A272 CarbonylContact O-C 3.51Å; V170-A272 VanDerWaalsContact O-CA 3.31Å; V170-A272 WeakPolarHBondContact O-CA 3.18Å; F240-A272 HydrophobicContact CE1-CB 4.25Å; F240-A272 HydrophobicContact CZ-CB 3.86Å; Q244-A272 HydrophobicContact CG-CB 3.57Å; A272-K308 PolarHBondContact N-O 3.42Å; A272-C309 WeakPolarHBondContact O-CA 3.5Å; A272-V310 PolarHBondContact O-N 3.42Å |
| 273 | V | 92.3 | Very high | 67.6 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.6 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | V170 V172 V275 V310 I323 L327 | V170-V273 PolarHBondContact O-N 3.45Å; V172-V273 PolarHBondContact N-O 3.5Å; V273-V275 HydrophobicContact CG1-CG2 4.26Å; V273-V310 HydrophobicContact CG1-CG1 4.21Å; V273-V310 HydrophobicContact CG2-CB 4.17Å; V273-V310 HydrophobicContact CG2-CG1 4.39Å; V273-I323 HydrophobicContact CG1-CD1 3.95Å; V273-I323 HydrophobicContact CG1-CG1 3.95Å; V273-I323 HydrophobicContact CG1-CG2 4.32Å; V273-I323 HydrophobicContact CG2-CG2 4.35Å; V273-L327 HydrophobicContact CG2-CD2 4.31Å |
| 274 | L | 91.7 | Very high | 68.4 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.9 | 168.7 | -179.6 | 63.2 | 0 | 0 | 0 | 109.9 | V172 D174 I229 F240 V310 L311 A312 | V172-L274 HydrophobicContact CB-CD1 3.95Å; V172-L274 HydrophobicContact CG1-CD1 3.8Å; D174-L274 HydrophobicContact CB-CD1 4.25Å; I229-L274 HydrophobicContact CD1-CD2 3.43Å; I229-L274 VanDerWaalsContact CD1-CD2 3.43Å; I229-L274 HydrophobicContact CG1-CD2 3.98Å; F240-L274 HydrophobicContact CB-CD2 3.99Å; F240-L274 HydrophobicContact CD1-CB 3.69Å; F240-L274 HydrophobicContact CD1-CD2 4.42Å; F240-L274 HydrophobicContact CD2-CB 3.85Å; F240-L274 HydrophobicContact CD2-CD1 4.48Å; F240-L274 HydrophobicContact CD2-CD2 3.77Å; F240-L274 HydrophobicContact CD2-CG 4.26Å; F240-L274 HydrophobicContact CE1-CB 3.57Å; F240-L274 HydrophobicContact CE2-CB 3.74Å; F240-L274 HydrophobicContact CE2-CD1 4.38Å; F240-L274 HydrophobicContact CE2-CD2 4.4Å; F240-L274 HydrophobicContact CE2-CG 4.4Å; F240-L274 HydrophobicContact CG-CB 3.84Å; F240-L274 HydrophobicContact CG-CD2 3.79Å; F240-L274 HydrophobicContact CG-CG 4.42Å; F240-L274 HydrophobicContact CZ-CB 3.61Å; L274-V310 PolarHBondContact N-O 2.92Å; L274-L311 HydrophobicContact CB-CD1 4.26Å; L274-L311 HydrophobicContact CD2-CD1 3.91Å; L274-L311 HydrophobicContact CG-CD1 4.17Å; L274-A312 PolarHBondContact O-N 3.16Å |
| 275 | V | 90.7 | Very high | 69.1 | Low | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.3 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V172 D174 M177 L190 V273 A312 D314 L319 I323 | V172-V275 PolarHBondContact O-N 3.03Å; D174-V275 WeakPolarHBondContact CB-O 3.46Å; D174-V275 PolarHBondContact N-O 3.3Å; M177-V275 HydrophobicContact CG-CG1 4.28Å; L190-V275 HydrophobicContact CD2-CB 4.12Å; L190-V275 HydrophobicContact CD2-CG1 4.16Å; L190-V275 HydrophobicContact CD2-CG2 3.78Å; V273-V275 HydrophobicContact CG1-CG2 4.26Å; V275-A312 WeakPolarHBondContact CA-O 3.25Å; V275-D314 HydrophobicContact CG1-CB 4.02Å; V275-L319 HydrophobicContact CG1-CD1 4.21Å; V275-L319 HydrophobicContact CG1-CD2 3.61Å; V275-L319 HydrophobicContact CG2-CD1 4.41Å; V275-L319 HydrophobicContact CG2-CD2 4.1Å; V275-I323 HydrophobicContact CG2-CD1 4.15Å |
| 276 | T | 86.8 | Confident | 70 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.1 | 179.7 | -176 | 0 | 0 | 0 | 0 | 112.1 | D174 I229 Y278 L311 A312 E313 D314 | D174-T276 PolarHBondContact OD2-OG1 2.77Å; I229-T276 HydrophobicContact CG2-CG2 4.17Å; T276-Y278 VanDerWaalsContact C-N 3.31Å; T276-Y278 PolarHBondContact OG1-N 2.85Å; T276-L311 HydrophobicContact CG2-CD1 3.9Å; T276-A312 PolarHBondContact N-O 2.66Å; T276-E313 CarbonylContact O-C 3.56Å; T276-E313 WeakPolarHBondContact O-CA 3.23Å; T276-D314 PolarHBondContact O-N 2.97Å |
| 277 | R | 82 | Confident | 70.1 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 25% | 0.253 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -85.8 | 2.4 | 171.9 | -63.7 | -76.3 | -68.8 | -163.2 | -1.9 | 113.1 | N176 Y180 D314 I416 | N176-R277 HydrophobicContact CB-CB 3.96Å; N176-R277 HydrophobicContact CB-CG 4.31Å; Y180-R277 VanDerWaalsContact CE2-NH2 3.34Å; Y180-R277 PolarHBondContact OH-NH2 3.28Å; R277-D314 WeakPolarHBondContact CD-OD2 3.23Å; R277-D314 IonicContact CZ-OD2 3.85Å; R277-D314 IonicContact NE-OD2 3.38Å; R277-D314 IonicContact NH1-OD2 2.76Å; R277-D314 PolarHBondContact NH1-OD2 3.2Å; R277-I416 PolarHBondContact NH1-O 3.3Å |
| 278 | Y | 78.9 | Confident | 70.2 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72.3 | 125.6 | 175.1 | -90.4 | -72.8 | 0 | 0 | 0 | 111 | N176 R223 I229 H231 T276 V280 | N176-Y278 VanDerWaalsContact ND2-CD2 3.3Å; N176-Y278 WeakPolarHBondContact ND2-CD2 3.43Å; N176-Y278 WeakPolarHBondContact ND2-CE2 3.41Å; R223-Y278 PolarHBondContact NH1-OH 2.89Å; R223-Y278 PolarHBondContact NH2-OH 3.05Å; I229-Y278 HydrophobicContact CB-CD2 4.09Å; I229-Y278 HydrophobicContact CB-CE2 4.35Å; I229-Y278 HydrophobicContact CG2-CD2 3.47Å; I229-Y278 VanDerWaalsContact CG2-CD2 3.47Å; I229-Y278 HydrophobicContact CG2-CE2 4.21Å; I229-Y278 HydrophobicContact CG2-CG 4Å; H231-Y278 AromaticContact CE1-CD1 3.67Å; H231-Y278 AromaticContact NE2-CD1 3.9Å; H231-Y278 AromaticContact NE2-CE1 3.9Å; T276-Y278 VanDerWaalsContact C-N 3.31Å; T276-Y278 PolarHBondContact OG1-N 2.85Å; Y278-V280 WeakPolarHBondContact O-CG2 3.42Å; Y278-V280 PolarHBondContact O-N 3.26Å |
| 279 | A | 69.2 | Low | 69.8 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 124.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | H231 Y281 E313 | H231-A279 WeakPolarHBondContact CA-O 3.29Å; H231-A279 PolarHBondContact ND1-O 3.41Å; A279-Y281 HydrophobicContact CB-CE2 3.71Å; A279-Y281 WeakPolarHBondContact O-CD2 3.42Å; A279-Y281 WeakPolarHBondContact O-CE2 3.39Å; A279-E313 WeakPolarHBondContact CA-OE2 3.33Å |
| 280 | V | 74.6 | Confident | 69.2 | Low | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.9 | -170.8 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | Y278 K292 V293 M296 L311 E313 | Y278-V280 WeakPolarHBondContact O-CG2 3.42Å; Y278-V280 PolarHBondContact O-N 3.26Å; V280-K292 WeakPolarHBondContact O-CA 3.37Å; V280-K292 WeakPolarHBondContact O-CG 3.1Å; V280-V293 HydrophobicContact CB-CG2 4.14Å; V280-V293 HydrophobicContact CG1-CG2 3.75Å; V280-V293 PolarHBondContact O-N 2.6Å; V280-V293 VanDerWaalsContact O-O 3.13Å; V280-M296 HydrophobicContact CG1-CE 3.96Å; V280-M296 HydrophobicContact CG1-CG 4.34Å; V280-M296 HydrophobicContact CG1-SD 4.38Å; V280-L311 HydrophobicContact CG1-CD2 4.27Å; V280-L311 HydrophobicContact CG2-CD2 4.3Å; V280-E313 HydrophobicContact CG2-CB 4.29Å; V280-E313 PolarHBondContact N-OE2 3.36Å |
| 281 | Y | 75.9 | Confident | 68.5 | Low | 75 Ų | 75 | 61.5 Ų | 61.5 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.2 | -178.2 | -62.3 | -97.2 | 0 | 0 | 0 | 112.4 | H231 G233 A279 E290 T291 K292 | H231-Y281 HydrophobicContact CB-CD2 4.01Å; H231-Y281 HydrophobicContact CB-CE2 4.43Å; H231-Y281 PolarHBondContact O-N 3.11Å; G233-Y281 PolarHBondContact N-O 2.26Å; A279-Y281 HydrophobicContact CB-CE2 3.71Å; A279-Y281 WeakPolarHBondContact O-CD2 3.42Å; A279-Y281 WeakPolarHBondContact O-CE2 3.39Å; Y281-E290 HydrophobicContact CD1-CB 4.18Å; Y281-T291 WeakPolarHBondContact CA-O 3.24Å; Y281-K292 HydrophobicContact CD1-CB 4.09Å; Y281-K292 HydrophobicContact CE1-CB 3.94Å; Y281-K292 HydrophobicContact CE1-CG 4.29Å |
| 282 | T | 66.7 | Low | 67.7 | Low | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.319 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.8 | 164.1 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | E290 T291 V293 M296 | T282-E290 WeakPolarHBondContact O-CA 3.13Å; T282-T291 PolarHBondContact N-O 3.35Å; T282-T291 PolarHBondContact O-N 3.4Å; T282-T291 PolarHBondContact OG1-O 2.68Å; T282-V293 HydrophobicContact CG2-CG1 3.85Å; T282-V293 HydrophobicContact CG2-CG2 4.21Å; T282-M296 HydrophobicContact CG2-CE 3.27Å |
| 283 | H | 57.7 | Low | 67.2 | Low | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 105 | 172.3 | -172.1 | 82.9 | 0 | 0 | 0 | 109.7 | K285 | H283-K285 PolarHBondContact O-N 2.92Å |
| 284 | S | 48 | Very low | 66.6 | Low | 35 Ų | 35 | 71 Ų | 71 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.5 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | I286 K287 C288 T289 | S284-I286 PolarHBondContact O-N 3Å; S284-I286 VanDerWaalsContact O-N 3.12Å; S284-K287 PolarHBondContact O-N 2.62Å; S284-C288 PolarHBondContact O-N 2.94Å; S284-T289 PolarHBondContact N-O 3Å |
| 285 | K | 45.5 | Very low | 66.2 | Low | 191 Ų | 191 | 71.2 Ų | 71.2 | 83% | 0.83 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.5 | 174.3 | -70.1 | -171.4 | 177.7 | -176.5 | 0 | 114 | H283 | H283-K285 PolarHBondContact O-N 2.92Š|
| 286 | I | 51 | Low | 66 | Low | 158 Ų | 158 | 72.5 Ų | 72.5 | 81% | 0.81 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -28.6 | -176.6 | -64.1 | 172.4 | 0 | 0 | 0 | 111.6 | S284 | S284-I286 PolarHBondContact O-N 3Å; S284-I286 VanDerWaalsContact O-N 3.12Å |
| 287 | K | 42.2 | Very low | 66.1 | Low | 161 Ų | 161 | 73.5 Ų | 73.5 | 70% | 0.7 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 5 | -175.9 | -66.1 | -172.4 | 177.1 | 179.6 | 0 | 114.4 | S284 T289 | S284-K287 PolarHBondContact O-N 2.62Å; K287-T289 WeakPolarHBondContact CB-OG1 3.43Å; K287-T289 WeakPolarHBondContact O-CG2 3.47Å; K287-T289 PolarHBondContact O-N 3.03Å; K287-T289 PolarHBondContact O-OG1 2.79Å |
| 288 | C | 46.9 | Very low | 66.4 | Low | 109 Ų | 109 | 73.1 Ų | 73.1 | 74% | 0.736 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 35.2 | -177.2 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | S284 | S284-C288 PolarHBondContact O-N 2.94Š|
| 289 | T | 45.8 | Very low | 66.8 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.8 | -171.4 | 31.8 | 0 | 0 | 0 | 0 | 109.9 | S284 K287 | S284-T289 PolarHBondContact N-O 3Å; K287-T289 WeakPolarHBondContact CB-OG1 3.43Å; K287-T289 WeakPolarHBondContact O-CG2 3.47Å; K287-T289 PolarHBondContact O-N 3.03Å; K287-T289 PolarHBondContact O-OG1 2.79Å |
| 290 | E | 55.9 | Low | 67.5 | Low | 111 Ų | 111 | 76.4 Ų | 76.4 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.3 | 175.5 | -59.6 | -165 | 145.2 | 0 | 0 | 109.2 | Y281 T282 | Y281-E290 HydrophobicContact CD1-CB 4.18Å; T282-E290 WeakPolarHBondContact O-CA 3.13Å |
| 291 | T | 62.8 | Low | 67.8 | Low | 72 Ų | 72 | 76.4 Ų | 76.4 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.4 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | Y281 T282 | Y281-T291 WeakPolarHBondContact CA-O 3.24Å; T282-T291 PolarHBondContact N-O 3.35Å; T282-T291 PolarHBondContact O-N 3.4Å; T282-T291 PolarHBondContact OG1-O 2.68Å |
| 292 | K | 68.8 | Low | 68.1 | Low | 106 Ų | 106 | 73 Ų | 73 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.5 | 176 | -170.5 | -179.2 | 178 | -178.2 | 0 | 109.7 | V280 Y281 E313 | V280-K292 WeakPolarHBondContact O-CA 3.37Å; V280-K292 WeakPolarHBondContact O-CG 3.1Å; Y281-K292 HydrophobicContact CD1-CB 4.09Å; Y281-K292 HydrophobicContact CE1-CB 3.94Å; Y281-K292 HydrophobicContact CE1-CG 4.29Å; K292-E313 WeakPolarHBondContact CE-OE1 3.47Å; K292-E313 WeakPolarHBondContact CE-OE2 3.28Å; K292-E313 IonicContact NZ-OE1 2.98Å; K292-E313 PolarHBondContact NZ-OE1 2.99Å; K292-E313 IonicContact NZ-OE2 2.58Å; K292-E313 PolarHBondContact NZ-OE2 2.03Å |
| 293 | V | 77.7 | Confident | 68.5 | Low | 38 Ų | 38 | 71.6 Ų | 71.6 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.3 | 172.8 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | V280 T282 G295 M296 | V280-V293 HydrophobicContact CB-CG2 4.14Å; V280-V293 HydrophobicContact CG1-CG2 3.75Å; V280-V293 PolarHBondContact O-N 2.6Å; V280-V293 VanDerWaalsContact O-O 3.13Å; T282-V293 HydrophobicContact CG2-CG1 3.85Å; T282-V293 HydrophobicContact CG2-CG2 4.21Å; V293-G295 WeakPolarHBondContact CG2-O 3.45Å; V293-M296 HydrophobicContact CG2-CE 3.58Å; V293-M296 HydrophobicContact CG2-CG 4.1Å |
| 294 | S | 79.4 | Confident | 69.6 | Low | 54 Ų | 54 | 67.9 Ų | 67.9 | 38% | 0.378 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -88.5 | -16.5 | 178.5 | -65 | 0 | 0 | 0 | 0 | 113.6 | E313 T322 | S294-E313 VanDerWaalsContact O-CB 3.32Å; S294-E313 WeakPolarHBondContact O-CB 3.42Å; S294-E313 PolarHBondContact O-N 3.21Å; S294-T322 VanDerWaalsContact O-CG2 3.22Å; S294-T322 WeakPolarHBondContact O-CG2 3.33Å |
| 295 | G | 83.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V293 L311 E326 | V293-G295 WeakPolarHBondContact CG2-O 3.45Å; G295-L311 CarbonylContact C-O 3.55Å; G295-L311 WeakPolarHBondContact CA-O 3.07Å; G295-E326 VanDerWaalsContact C-CD 3.42Å; G295-E326 VanDerWaalsContact CA-OE1 3.26Å; G295-E326 WeakPolarHBondContact CA-OE1 3.46Å |
| 296 | M | 86.6 | Confident | 71.8 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 137.6 | 166 | -65.7 | -169.7 | 176.7 | 0 | 0 | 111.9 | G233 Q234 L237 V280 T282 V293 L311 E326 | G233-M296 VanDerWaalsContact CA-SD 3.58Å; Q234-M296 PolarHBondContact N-SD 2.98Å; L237-M296 HydrophobicContact CD2-CB 4.06Å; V280-M296 HydrophobicContact CG1-CE 3.96Å; V280-M296 HydrophobicContact CG1-CG 4.34Å; V280-M296 HydrophobicContact CG1-SD 4.38Å; T282-M296 HydrophobicContact CG2-CE 3.27Å; V293-M296 HydrophobicContact CG2-CE 3.58Å; V293-M296 HydrophobicContact CG2-CG 4.1Å; M296-L311 PolarHBondContact N-O 3.29Å; M296-L311 PolarHBondContact O-N 2.99Å; M296-E326 WeakPolarHBondContact CA-OE2 3.32Å; M296-E326 VanDerWaalsContact N-CD 3.31Å; M296-E326 PolarHBondContact N-OE1 3.45Å; M296-E326 PolarHBondContact N-OE2 3.12Å |
| 297 | A | 89.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V310 E326 H329 N330 | A297-V310 HydrophobicContact CB-CG2 3.96Å; A297-E326 HydrophobicContact CB-CB 4.02Å; A297-E326 WeakPolarHBondContact CB-O 3.39Å; A297-E326 PolarHBondContact N-OE2 3.04Å; A297-H329 HydrophobicContact CB-CB 4.12Å; A297-N330 HydrophobicContact CB-CB 4.43Å |
| 298 | Y | 87.8 | Confident | 75.3 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | trans | -81.4 | 131.6 | 167.7 | -70.9 | -67.3 | 0 | 0 | 0 | 111.2 | L237 E238 G300 G301 R307 N330 | L237-Y298 HydrophobicContact CD2-CD2 4.25Å; L237-Y298 HydrophobicContact CD2-CE2 4.08Å; L237-Y298 HydrophobicContact CG-CE2 4.27Å; E238-Y298 WeakPolarHBondContact CG-OH 3.42Å; Y298-G300 PolarHBondContact O-N 2.83Å; Y298-G301 PolarHBondContact O-N 2.62Å; Y298-G301 VanDerWaalsContact O-N 3.07Å; Y298-R307 HydrophobicContact CD2-CB 3.61Å; Y298-R307 HydrophobicContact CD2-CG 3.77Å; Y298-R307 HydrophobicContact CE2-CB 4.28Å; Y298-R307 HydrophobicContact CE2-CG 4.02Å; Y298-R307 HydrophobicContact CG-CB 3.98Å; Y298-R307 HydrophobicContact CG-CG 4.09Å; Y298-N330 WeakPolarHBondContact O-CA 3.3Å; Y298-N330 PolarHBondContact O-ND2 3.22Å; Y298-N330 VanDerWaalsContact O-ND2 3.13Å | ||
| 299 | L | 86.9 | Confident | 77.3 | Confident | 112 Ų | 112 | 53 Ų | 53 | 59% | 0.586 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 123.3 | 171.1 | -163.9 | 94.8 | 0 | 0 | 0 | 110.8 | G301 H329 M333 | L299-G301 PolarHBondContact O-N 3.08Å; L299-H329 CarbonylContact C-O 3.56Å; L299-H329 VanDerWaalsContact CA-O 3.26Å; L299-H329 WeakPolarHBondContact CA-O 3.34Å; L299-M333 VanDerWaalsContact CD1-O 3.24Å; L299-M333 WeakPolarHBondContact CD1-O 3.32Å |
| 300 | G | 83.1 | Confident | 79.5 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 26.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y298 A302 H329 N330 | Y298-G300 PolarHBondContact O-N 2.83Å; G300-A302 VanDerWaalsContact C-N 3.34Å; G300-H329 PolarHBondContact N-O 2.68Å; G300-N330 CarbonylContact C-O 3.54Å; G300-N330 VanDerWaalsContact C-O 3.24Å; G300-N330 VanDerWaalsContact CA-O 3.3Å; G300-N330 WeakPolarHBondContact CA-O 3.23Å |
| 301 | G | 81.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -73.5 | -16 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y298 L299 S304 R307 K308 N330 | Y298-G301 PolarHBondContact O-N 2.62Å; Y298-G301 VanDerWaalsContact O-N 3.07Å; L299-G301 PolarHBondContact O-N 3.08Å; G301-S304 WeakPolarHBondContact O-CB 3.41Å; G301-S304 PolarHBondContact O-N 3.12Å; G301-R307 WeakPolarHBondContact CA-O 3.38Å; G301-R307 CarbonylContact O-C 3.59Å; G301-K308 WeakPolarHBondContact O-CA 3.29Å; G301-K308 WeakPolarHBondContact O-CB 3.42Å; G301-K308 PolarHBondContact O-N 3.44Å; G301-N330 WeakPolarHBondContact CA-ND2 3.44Å; G301-N330 PolarHBondContact N-O 3.28Å | ||
| 302 | A | 81.8 | Confident | 82.5 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 147.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T271 G300 S304 N330 M331 F375 | T271-A302 HydrophobicContact CG2-CB 3.95Å; G300-A302 VanDerWaalsContact C-N 3.34Å; A302-S304 PolarHBondContact O-N 2.95Å; A302-N330 WeakPolarHBondContact CA-OD1 3.27Å; A302-N330 VanDerWaalsContact CB-O 3.25Å; A302-N330 WeakPolarHBondContact CB-O 3.48Å; A302-N330 PolarHBondContact N-O 2.69Å; A302-N330 PolarHBondContact N-OD1 2.98Å; A302-M331 HydrophobicContact CB-CG 4.32Å; A302-F375 HydrophobicContact CB-CZ 4.17Å |
| 303 | C | 76.1 | Confident | 83.4 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -8.5 | -168.8 | -45.3 | 0 | 0 | 0 | 0 | 116.2 | D270 A305 A382 C385 | D270-C303 PolarHBondContact O-N 3.09Å; C303-A305 PolarHBondContact O-N 3.43Å; C303-A382 VanDerWaalsContact CB-O 3.24Å; C303-A382 WeakPolarHBondContact CB-O 3.48Å; C303-A382 PolarHBondContact SG-O 3.05Å; C303-C385 WeakPolarHBondContact CA-SG 3.5Å; C303-C385 HydrophobicContact CB-CB 3.75Å; C303-C385 WeakPolarHBondContact CB-SG 3.42Å; C303-C385 WeakPolarHBondContact SG-CB 3.44Å; C303-C385 PolarHBondContact SG-N 3.1Å; C303-C385 CovalentContact SG-SG 2.02Å; C303-C385 PolarHBondContact SG-SG 2.99Å |
| 304 | S | 80.9 | Confident | 83.5 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | trans | -72.9 | 128.8 | -179.2 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | G301 A302 K306 R307 K308 | G301-S304 WeakPolarHBondContact O-CB 3.41Å; G301-S304 PolarHBondContact O-N 3.12Å; A302-S304 PolarHBondContact O-N 2.95Å; S304-K306 PolarHBondContact O-N 2.89Å; S304-R307 PolarHBondContact O-N 2.9Å; S304-K308 WeakPolarHBondContact O-CB 3.26Å; S304-K308 WeakPolarHBondContact O-CD 3.09Å; S304-K308 WeakPolarHBondContact O-CG 3.22Å; S304-K308 PolarHBondContact O-N 3.46Å | ||
| 305 | A | 68.6 | Low | 83.2 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 44% | 0.438 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | H245 C303 | H245-A305 PolarHBondContact CE1-O 3.43Å; H245-A305 PolarHBondContact ND1-O 3.3Å; C303-A305 PolarHBondContact O-N 3.43Å |
| 306 | K | 71.3 | Confident | 82.6 | Confident | 143 Ų | 143 | 34.1 Ų | 34.1 | 62% | 0.622 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -3.9 | -174.4 | -63.8 | -175.9 | 178.7 | -178.7 | 0 | 115.5 | S304 | S304-K306 PolarHBondContact O-N 2.89Š|
| 307 | R | 82.5 | Confident | 81.5 | Confident | 145 Ų | 145 | 34 Ų | 34 | 55% | 0.547 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 5.7 | -173.3 | -64.6 | -172.8 | -180 | 175.6 | -1.1 | 114.9 | Y298 G301 S304 C309 N330 | Y298-R307 HydrophobicContact CD2-CB 3.61Å; Y298-R307 HydrophobicContact CD2-CG 3.77Å; Y298-R307 HydrophobicContact CE2-CB 4.28Å; Y298-R307 HydrophobicContact CE2-CG 4.02Å; Y298-R307 HydrophobicContact CG-CB 3.98Å; Y298-R307 HydrophobicContact CG-CG 4.09Å; G301-R307 WeakPolarHBondContact CA-O 3.38Å; G301-R307 CarbonylContact O-C 3.59Å; S304-R307 PolarHBondContact O-N 2.9Å; R307-C309 VanDerWaalsContact C-SG 3.53Å; R307-C309 PolarHBondContact O-N 2.83Å; R307-N330 PolarHBondContact O-ND2 3.18Å |
| 308 | K | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -78.3 | 36.7 | -179.7 | 65.4 | -179.7 | -179.9 | 173 | 0 | 114.6 | Q244 V269 D270 T271 A272 G301 S304 | Q244-K308 VanDerWaalsContact OE1-CE 3.25Å; V269-K308 PolarHBondContact O-NZ 3.21Å; D270-K308 VanDerWaalsContact O-CB 3.28Å; D270-K308 WeakPolarHBondContact O-CB 3.23Å; D270-K308 WeakPolarHBondContact O-CD 3.25Å; T271-K308 CarbonylContact C-O 3.6Å; T271-K308 VanDerWaalsContact CA-O 3.29Å; T271-K308 WeakPolarHBondContact CA-O 3.34Å; A272-K308 PolarHBondContact N-O 3.42Å; G301-K308 WeakPolarHBondContact O-CA 3.29Å; G301-K308 WeakPolarHBondContact O-CB 3.42Å; G301-K308 PolarHBondContact O-N 3.44Å; S304-K308 WeakPolarHBondContact O-CB 3.26Å; S304-K308 WeakPolarHBondContact O-CD 3.09Å; S304-K308 WeakPolarHBondContact O-CG 3.22Å; S304-K308 PolarHBondContact O-N 3.46Å | ||
| 309 | C | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.7 | -168.9 | 37.8 | 0 | 0 | 0 | 0 | 109.5 | L237 F240 C241 A272 R307 | L237-C309 HydrophobicContact CD1-CB 4.2Å; F240-C309 HydrophobicContact CD1-CB 3.96Å; F240-C309 HydrophobicContact CE1-CB 4.14Å; C241-C309 HydrophobicContact CB-CB 3.86Å; C241-C309 WeakPolarHBondContact CB-SG 2.99Å; C241-C309 WeakPolarHBondContact SG-CB 3.45Å; C241-C309 CovalentContact SG-SG 2.01Å; C241-C309 PolarHBondContact SG-SG 2.79Å; A272-C309 WeakPolarHBondContact O-CA 3.5Å; R307-C309 VanDerWaalsContact C-SG 3.53Å; R307-C309 PolarHBondContact O-N 2.83Å |
| 310 | V | 92.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.9 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 108.4 | F240 A272 V273 L274 A297 E326 L327 N330 | F240-V310 WeakPolarHBondContact CE1-O 3.25Å; A272-V310 PolarHBondContact O-N 3.42Å; V273-V310 HydrophobicContact CG1-CG1 4.21Å; V273-V310 HydrophobicContact CG2-CB 4.17Å; V273-V310 HydrophobicContact CG2-CG1 4.39Å; L274-V310 PolarHBondContact N-O 2.92Å; A297-V310 HydrophobicContact CB-CG2 3.96Å; V310-E326 HydrophobicContact CG1-CB 3.47Å; V310-E326 VanDerWaalsContact CG1-CB 3.47Å; V310-E326 HydrophobicContact CG1-CG 4.26Å; V310-E326 HydrophobicContact CG2-CB 4.5Å; V310-L327 HydrophobicContact CG2-CD2 3.95Å; V310-N330 HydrophobicContact CG2-CB 4.18Å |
| 311 | L | 90.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.6 | 172.9 | -179.8 | 64.4 | 0 | 0 | 0 | 108.9 | L237 L274 T276 V280 G295 M296 | L237-L311 HydrophobicContact CD1-CB 4.06Å; L274-L311 HydrophobicContact CB-CD1 4.26Å; L274-L311 HydrophobicContact CD2-CD1 3.91Å; L274-L311 HydrophobicContact CG-CD1 4.17Å; T276-L311 HydrophobicContact CG2-CD1 3.9Å; V280-L311 HydrophobicContact CG1-CD2 4.27Å; V280-L311 HydrophobicContact CG2-CD2 4.3Å; G295-L311 CarbonylContact C-O 3.55Å; G295-L311 WeakPolarHBondContact CA-O 3.07Å; M296-L311 PolarHBondContact N-O 3.29Å; M296-L311 PolarHBondContact O-N 2.99Å |
| 312 | A | 90.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L274 V275 T276 L319 T322 I323 | L274-A312 PolarHBondContact O-N 3.16Å; V275-A312 WeakPolarHBondContact CA-O 3.25Å; T276-A312 PolarHBondContact N-O 2.66Å; A312-L319 HydrophobicContact CB-CD1 3.61Å; A312-T322 HydrophobicContact CB-CG2 3.95Å; A312-I323 HydrophobicContact CB-CG1 3.91Å |
| 313 | E | 86.9 | Confident | 80 | Confident | 21 Ų | 21 | 26 Ų | 26 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.9 | 168.4 | -174 | -179.2 | 153.4 | 0 | 0 | 109.2 | T276 A279 V280 K292 S294 N315 | T276-E313 CarbonylContact O-C 3.56Å; T276-E313 WeakPolarHBondContact O-CA 3.23Å; A279-E313 WeakPolarHBondContact CA-OE2 3.33Å; V280-E313 HydrophobicContact CG2-CB 4.29Å; V280-E313 PolarHBondContact N-OE2 3.36Å; K292-E313 WeakPolarHBondContact CE-OE1 3.47Å; K292-E313 WeakPolarHBondContact CE-OE2 3.28Å; K292-E313 IonicContact NZ-OE1 2.98Å; K292-E313 PolarHBondContact NZ-OE1 2.99Å; K292-E313 IonicContact NZ-OE2 2.58Å; K292-E313 PolarHBondContact NZ-OE2 2.03Å; S294-E313 VanDerWaalsContact O-CB 3.32Å; S294-E313 WeakPolarHBondContact O-CB 3.42Å; S294-E313 PolarHBondContact O-N 3.21Å; E313-N315 PolarHBondContact O-N 2.84Å |
| 314 | D | 80.9 | Confident | 80.6 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | trans | -67.3 | 99.6 | 170.5 | 170.9 | 33.1 | 0 | 0 | 0 | 110.5 | H181 V275 T276 R277 G316 | H181-D314 IonicContact CD2-OD2 3.38Å; H181-D314 IonicContact CE1-OD2 3.94Å; H181-D314 IonicContact NE2-OD2 3.64Å; H181-D314 PolarHBondContact NE2-OD2 3.46Å; V275-D314 HydrophobicContact CG1-CB 4.02Å; T276-D314 PolarHBondContact O-N 2.97Å; R277-D314 WeakPolarHBondContact CD-OD2 3.23Å; R277-D314 IonicContact CZ-OD2 3.85Å; R277-D314 IonicContact NE-OD2 3.38Å; R277-D314 IonicContact NH1-OD2 2.76Å; R277-D314 PolarHBondContact NH1-OD2 3.2Å; D314-G316 PolarHBondContact OD1-N 2.79Å | ||
| 315 | N | 72.4 | Confident | 80.9 | Confident | 32 Ų | 32 | 23.8 Ų | 23.8 | 17% | 0.171 | 12% | 0.115 | C | C | . | . | trans | -103.2 | 24.6 | 171.5 | 61.7 | -4.5 | 0 | 0 | 0 | 111.8 | E313 N318 L319 T322 | E313-N315 PolarHBondContact O-N 2.84Å; N315-N318 VanDerWaalsContact OD1-C 3.26Å; N315-L319 WeakPolarHBondContact OD1-CA 3.14Å; N315-L319 PolarHBondContact OD1-N 3.31Å; N315-T322 PolarHBondContact ND2-OG1 2.87Å | ||
| 316 | G | 70.8 | Confident | 82 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | 77.1 | -139.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F189 D314 N318 L319 | F189-G316 WeakPolarHBondContact CZ-O 3.23Å; D314-G316 PolarHBondContact OD1-N 2.79Å; G316-N318 VanDerWaalsContact C-N 3.28Å; G316-N318 PolarHBondContact O-N 2.97Å; G316-L319 WeakPolarHBondContact O-CB 3.48Å; G316-L319 PolarHBondContact O-N 2.94Å |
| 317 | L | 63 | Low | 83 | Confident | 23 Ų | 23 | 15.2 Ų | 15.2 | 12% | 0.12 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -75.7 | -19 | -167.8 | -65.5 | 139.1 | 0 | 0 | 0 | 113.4 | F189 M196 L319 A320 Q413 L454 | F189-L317 HydrophobicContact CD2-CD2 4.37Å; F189-L317 HydrophobicContact CE2-CD2 4.01Å; F189-L317 HydrophobicContact CE2-CG 4.2Å; M196-L317 HydrophobicContact CE-CD2 4.38Å; L317-L319 PolarHBondContact O-N 3.06Å; L317-L319 VanDerWaalsContact O-N 3.12Å; L317-A320 PolarHBondContact O-N 3.17Å; L317-Q413 HydrophobicContact CD1-CG 4.25Å; L317-L454 HydrophobicContact CB-CD2 4.02Å; L317-L454 HydrophobicContact CD1-CD1 3.62Å; L317-L454 HydrophobicContact CD1-CD2 3.71Å; L317-L454 HydrophobicContact CD1-CG 3.58Å; L317-L454 HydrophobicContact CD2-CD1 3.75Å; L317-L454 HydrophobicContact CD2-CD2 3.87Å; L317-L454 HydrophobicContact CD2-CG 4.26Å; L317-L454 HydrophobicContact CG-CD1 4.24Å; L317-L454 HydrophobicContact CG-CD2 4.01Å; L317-L454 HydrophobicContact CG-CG 4.35Å |
| 318 | N | 70.3 | Confident | 83.3 | Confident | 21 Ų | 21 | 8.3 Ų | 8.3 | 11% | 0.112 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -62.3 | -10.6 | 167 | -64.5 | -43.7 | 0 | 0 | 0 | 113.1 | N315 G316 A320 F321 T322 W353 D451 | N315-N318 VanDerWaalsContact OD1-C 3.26Å; G316-N318 VanDerWaalsContact C-N 3.28Å; G316-N318 PolarHBondContact O-N 2.97Å; N318-A320 PolarHBondContact O-N 2.8Å; N318-A320 VanDerWaalsContact O-N 3.17Å; N318-F321 WeakPolarHBondContact O-CB 3.41Å; N318-F321 PolarHBondContact O-N 3.31Å; N318-T322 PolarHBondContact O-N 2.69Å; N318-T322 VanDerWaalsContact O-N 3.14Å; N318-T322 PolarHBondContact O-OG1 3.3Å; N318-W353 HydrophobicContact CB-CH2 4.46Å; N318-W353 HydrophobicContact CB-CZ2 4.45Å; N318-W353 WeakPolarHBondContact ND2-CH2 3.06Å; N318-D451 PolarHBondContact ND2-OD1 3.06Å |
| 319 | L | 80.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.5 | -28.5 | 176.3 | 178.4 | 64.3 | 0 | 0 | 0 | 111.8 | F189 L190 V193 V275 A312 N315 G316 L317 F321 T322 I323 | F189-L319 HydrophobicContact CE1-CD2 3.8Å; F189-L319 HydrophobicContact CZ-CD2 4.23Å; L190-L319 HydrophobicContact CD2-CD2 4.14Å; V193-L319 HydrophobicContact CG1-CB 4.32Å; V193-L319 HydrophobicContact CG1-CD2 4.18Å; V193-L319 HydrophobicContact CG1-CG 4Å; V193-L319 HydrophobicContact CG2-CB 4.5Å; V193-L319 HydrophobicContact CG2-CD2 4.43Å; V275-L319 HydrophobicContact CG1-CD1 4.21Å; V275-L319 HydrophobicContact CG1-CD2 3.61Å; V275-L319 HydrophobicContact CG2-CD1 4.41Å; V275-L319 HydrophobicContact CG2-CD2 4.1Å; A312-L319 HydrophobicContact CB-CD1 3.61Å; N315-L319 WeakPolarHBondContact OD1-CA 3.14Å; N315-L319 PolarHBondContact OD1-N 3.31Å; G316-L319 WeakPolarHBondContact O-CB 3.48Å; G316-L319 PolarHBondContact O-N 2.94Å; L317-L319 PolarHBondContact O-N 3.06Å; L317-L319 VanDerWaalsContact O-N 3.12Å; L319-F321 VanDerWaalsContact C-N 3.34Å; L319-T322 PolarHBondContact O-N 2.73Å; L319-I323 HydrophobicContact CD1-CD1 3.92Å; L319-I323 HydrophobicContact CD1-CG1 4.01Å; L319-I323 HydrophobicContact CD2-CD1 4.29Å; L319-I323 HydrophobicContact CG-CD1 3.72Å; L319-I323 HydrophobicContact CG-CG1 4.23Å; L319-I323 WeakPolarHBondContact O-CB 3.41Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.37Å; L319-I323 PolarHBondContact O-N 2.85Å |
| 320 | A | 77.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V193 M196 V197 M200 L317 N318 A324 | V193-A320 HydrophobicContact CG1-CB 4.11Å; M196-A320 HydrophobicContact CB-CB 3.65Å; M196-A320 HydrophobicContact CE-CB 4.06Å; M196-A320 HydrophobicContact SD-CB 4.49Å; V197-A320 HydrophobicContact CG2-CB 4.19Å; V197-A320 WeakPolarHBondContact CG2-O 3.23Å; M200-A320 HydrophobicContact CE-CB 4.37Å; L317-A320 PolarHBondContact O-N 3.17Å; N318-A320 PolarHBondContact O-N 2.8Å; N318-A320 VanDerWaalsContact O-N 3.17Å; A320-A324 VanDerWaalsContact O-CB 3.3Å; A320-A324 WeakPolarHBondContact O-CB 3.38Å; A320-A324 PolarHBondContact O-N 2.89Å |
| 321 | F | 80 | Confident | 83.3 | Confident | 23 Ų | 23 | 9.4 Ų | 9.4 | 10% | 0.101 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 174.3 | -179 | -96.8 | 0 | 0 | 0 | 111.1 | N318 L319 I323 A324 H325 I348 W353 L362 | N318-F321 WeakPolarHBondContact O-CB 3.41Å; N318-F321 PolarHBondContact O-N 3.31Å; L319-F321 VanDerWaalsContact C-N 3.34Å; F321-I323 VanDerWaalsContact C-N 3.34Å; F321-I323 PolarHBondContact O-N 2.85Å; F321-A324 PolarHBondContact O-N 2.88Å; F321-A324 VanDerWaalsContact O-N 3.16Å; F321-H325 WeakPolarHBondContact O-CB 3.36Å; F321-H325 PolarHBondContact O-N 3.38Å; F321-I348 HydrophobicContact CD2-CG1 4.4Å; F321-I348 HydrophobicContact CD2-CG2 4.47Å; F321-I348 HydrophobicContact CE2-CB 4.11Å; F321-I348 HydrophobicContact CE2-CG1 3.95Å; F321-I348 HydrophobicContact CE2-CG2 4.1Å; F321-I348 WeakPolarHBondContact CZ-O 3.46Å; F321-W353 AromaticContact CD1-CD1 3.79Å; F321-W353 AromaticContact CD1-NE1 3.97Å; F321-W353 AromaticContact CE1-CD1 3.45Å; F321-W353 VanDerWaalsContact CE1-CD1 3.45Å; F321-W353 HydrophobicContact CE1-CG 4.3Å; F321-W353 AromaticContact CZ-CD1 3.91Å; F321-L362 HydrophobicContact CD2-CD1 3.48Å; F321-L362 VanDerWaalsContact CD2-CD1 3.48Å; F321-L362 HydrophobicContact CE2-CD1 3.87Å; F321-L362 HydrophobicContact CG-CD1 4.41Å |
| 322 | T | 83.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 10.2 Ų | 10.2 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -53.7 | -51.5 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | S294 A312 N315 N318 L319 A324 H325 E326 | S294-T322 VanDerWaalsContact O-CG2 3.22Å; S294-T322 WeakPolarHBondContact O-CG2 3.33Å; A312-T322 HydrophobicContact CB-CG2 3.95Å; N315-T322 PolarHBondContact ND2-OG1 2.87Å; N318-T322 PolarHBondContact O-N 2.69Å; N318-T322 VanDerWaalsContact O-N 3.14Å; N318-T322 PolarHBondContact O-OG1 3.3Å; L319-T322 PolarHBondContact O-N 2.73Å; T322-A324 PolarHBondContact O-N 3.36Å; T322-H325 PolarHBondContact O-N 2.99Å; T322-E326 HydrophobicContact CG2-CG 4.47Å; T322-E326 VanDerWaalsContact O-CG 3.32Å; T322-E326 WeakPolarHBondContact O-CG 3.5Å; T322-E326 PolarHBondContact O-N 2.91Å |
| 323 | I | 88.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 179.7 | -68.5 | 170.8 | 0 | 0 | 0 | 111.3 | V193 M194 V197 V273 V275 A312 L319 F321 L327 | V193-I323 HydrophobicContact CG1-CD1 3.8Å; M194-I323 HydrophobicContact SD-CD1 4.36Å; M194-I323 HydrophobicContact SD-CG2 4.12Å; V197-I323 HydrophobicContact CG1-CG2 4.26Å; V197-I323 HydrophobicContact CG2-CB 3.99Å; V197-I323 HydrophobicContact CG2-CG2 3.81Å; V273-I323 HydrophobicContact CG1-CD1 3.95Å; V273-I323 HydrophobicContact CG1-CG1 3.95Å; V273-I323 HydrophobicContact CG1-CG2 4.32Å; V273-I323 HydrophobicContact CG2-CG2 4.35Å; V275-I323 HydrophobicContact CG2-CD1 4.15Å; A312-I323 HydrophobicContact CB-CG1 3.91Å; L319-I323 HydrophobicContact CD1-CD1 3.92Å; L319-I323 HydrophobicContact CD1-CG1 4.01Å; L319-I323 HydrophobicContact CD2-CD1 4.29Å; L319-I323 HydrophobicContact CG-CD1 3.72Å; L319-I323 HydrophobicContact CG-CG1 4.23Å; L319-I323 WeakPolarHBondContact O-CB 3.41Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.37Å; L319-I323 PolarHBondContact O-N 2.85Å; F321-I323 VanDerWaalsContact C-N 3.34Å; F321-I323 PolarHBondContact O-N 2.85Å; I323-L327 HydrophobicContact CG2-CD1 3.65Å; I323-L327 HydrophobicContact CG2-CG 4.16Å; I323-L327 WeakPolarHBondContact O-CB 3.35Å; I323-L327 WeakPolarHBondContact O-CG 3.12Å; I323-L327 PolarHBondContact O-N 3.29Å |
| 324 | A | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V197 M200 F201 A320 F321 T322 G328 I348 | V197-A324 HydrophobicContact CG1-CB 4.47Å; M200-A324 HydrophobicContact SD-CB 3.72Å; F201-A324 HydrophobicContact CE2-CB 4.17Å; F201-A324 WeakPolarHBondContact CZ-O 3.06Å; A320-A324 VanDerWaalsContact O-CB 3.3Å; A320-A324 WeakPolarHBondContact O-CB 3.38Å; A320-A324 PolarHBondContact O-N 2.89Å; F321-A324 PolarHBondContact O-N 2.88Å; F321-A324 VanDerWaalsContact O-N 3.16Å; T322-A324 PolarHBondContact O-N 3.36Å; A324-G328 PolarHBondContact O-N 3.02Å; A324-I348 HydrophobicContact CB-CG2 4.3Å |
| 325 | H | 88.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 12.9 Ų | 12.9 | 9% | 0.088 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61 | -51 | 175.4 | -177.8 | 100.8 | 0 | 0 | 0 | 111.5 | F321 T322 L327 G328 H329 H335 I348 | F321-H325 WeakPolarHBondContact O-CB 3.36Å; F321-H325 PolarHBondContact O-N 3.38Å; T322-H325 PolarHBondContact O-N 2.99Å; H325-L327 PolarHBondContact O-N 3.31Å; H325-G328 WeakPolarHBondContact O-CA 3.32Å; H325-G328 PolarHBondContact O-N 2.86Å; H325-H329 AromaticContact CD2-CD2 3.52Å; H325-H329 AromaticContact CD2-NE2 3.52Å; H325-H329 AromaticContact CE1-NE2 3.9Å; H325-H329 AromaticContact NE2-CD2 3.56Å; H325-H329 AromaticContact NE2-NE2 3.02Å; H325-H329 PolarHBondContact NE2-NE2 3.04Å; H325-H329 PolarHBondContact O-N 2.77Å; H325-H335 AromaticContact CE1-CD2 3.61Å; H325-H335 AromaticContact CE1-NE2 3.72Å; H325-H335 AromaticContact NE2-CD2 3.69Å; H325-H335 AromaticContact NE2-NE2 3.35Å; H325-H335 PolarHBondContact NE2-NE2 2.79Å; H325-I348 HydrophobicContact CB-CG2 4.49Å; H325-I348 PolarHBondContact ND1-O 3.25Å |
| 326 | E | 91.8 | Very high | 84 | Confident | 17 Ų | 17 | 11.4 Ų | 11.4 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.8 | -32.3 | -179.9 | -61.8 | -52.4 | 153.2 | 0 | 0 | 113.2 | G295 M296 A297 V310 T322 G328 H329 N330 | G295-E326 VanDerWaalsContact C-CD 3.42Å; G295-E326 VanDerWaalsContact CA-OE1 3.26Å; G295-E326 WeakPolarHBondContact CA-OE1 3.46Å; M296-E326 WeakPolarHBondContact CA-OE2 3.32Å; M296-E326 VanDerWaalsContact N-CD 3.31Å; M296-E326 PolarHBondContact N-OE1 3.45Å; M296-E326 PolarHBondContact N-OE2 3.12Å; A297-E326 HydrophobicContact CB-CB 4.02Å; A297-E326 WeakPolarHBondContact CB-O 3.39Å; A297-E326 PolarHBondContact N-OE2 3.04Å; V310-E326 HydrophobicContact CG1-CB 3.47Å; V310-E326 VanDerWaalsContact CG1-CB 3.47Å; V310-E326 HydrophobicContact CG1-CG 4.26Å; V310-E326 HydrophobicContact CG2-CB 4.5Å; T322-E326 HydrophobicContact CG2-CG 4.47Å; T322-E326 VanDerWaalsContact O-CG 3.32Å; T322-E326 WeakPolarHBondContact O-CG 3.5Å; T322-E326 PolarHBondContact O-N 2.91Å; E326-G328 VanDerWaalsContact C-N 3.32Å; E326-H329 PolarHBondContact O-N 3.31Å; E326-H329 IonicContact OE2-CD2 2.68Å; E326-N330 PolarHBondContact O-N 3.36Å |
| 327 | L | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.9 | -31.9 | 169.1 | -74.6 | 174 | 0 | 0 | 0 | 111.9 | L167 V197 F201 V273 V310 I323 H325 N330 M331 | L167-L327 HydrophobicContact CD2-CD1 4.46Å; L167-L327 HydrophobicContact CD2-CD2 4.02Å; V197-L327 HydrophobicContact CG1-CD1 3.9Å; F201-L327 HydrophobicContact CE2-CB 4.04Å; F201-L327 HydrophobicContact CE2-CD1 4.25Å; F201-L327 HydrophobicContact CZ-CB 3.88Å; V273-L327 HydrophobicContact CG2-CD2 4.31Å; V310-L327 HydrophobicContact CG2-CD2 3.95Å; I323-L327 HydrophobicContact CG2-CD1 3.65Å; I323-L327 HydrophobicContact CG2-CG 4.16Å; I323-L327 WeakPolarHBondContact O-CB 3.35Å; I323-L327 WeakPolarHBondContact O-CG 3.12Å; I323-L327 PolarHBondContact O-N 3.29Å; H325-L327 PolarHBondContact O-N 3.31Å; L327-N330 CarbonylContact O-C 3.57Å; L327-N330 PolarHBondContact O-N 3.42Å; L327-M331 HydrophobicContact CB-CE 4.19Å; L327-M331 WeakPolarHBondContact O-CB 3.16Å; L327-M331 WeakPolarHBondContact O-CE 3.38Å; L327-M331 PolarHBondContact O-N 2.88Å |
| 328 | G | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -51 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A324 H325 E326 N330 M331 G332 M333 | A324-G328 PolarHBondContact O-N 3.02Å; H325-G328 WeakPolarHBondContact O-CA 3.32Å; H325-G328 PolarHBondContact O-N 2.86Å; E326-G328 VanDerWaalsContact C-N 3.32Å; G328-N330 VanDerWaalsContact C-N 3.32Å; G328-N330 PolarHBondContact O-N 3.29Å; G328-M331 CarbonylContact O-C 3.6Å; G328-M331 PolarHBondContact O-N 3.16Å; G328-M331 VanDerWaalsContact O-N 3.1Å; G328-G332 PolarHBondContact O-N 2.84Å; G328-G332 VanDerWaalsContact O-N 3.1Å; G328-M333 VanDerWaalsContact CA-SD 3.6Å; G328-M333 WeakPolarHBondContact O-CB 3.46Å; G328-M333 PolarHBondContact O-N 3.4Å |
| 329 | H | 87.5 | Confident | 85.6 | Confident | 22 Ų | 22 | 19.5 Ų | 19.5 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.4 | -47.7 | 169.7 | -77.3 | -58.4 | 0 | 0 | 0 | 111.3 | A297 L299 G300 H325 E326 M331 G332 M333 H335 | A297-H329 HydrophobicContact CB-CB 4.12Å; L299-H329 CarbonylContact C-O 3.56Å; L299-H329 VanDerWaalsContact CA-O 3.26Å; L299-H329 WeakPolarHBondContact CA-O 3.34Å; G300-H329 PolarHBondContact N-O 2.68Å; H325-H329 AromaticContact CD2-CD2 3.52Å; H325-H329 AromaticContact CD2-NE2 3.52Å; H325-H329 AromaticContact CE1-NE2 3.9Å; H325-H329 AromaticContact NE2-CD2 3.56Å; H325-H329 AromaticContact NE2-NE2 3.02Å; H325-H329 PolarHBondContact NE2-NE2 3.04Å; H325-H329 PolarHBondContact O-N 2.77Å; E326-H329 PolarHBondContact O-N 3.31Å; E326-H329 IonicContact OE2-CD2 2.68Å; H329-M331 PolarHBondContact O-N 3.37Å; H329-G332 PolarHBondContact O-N 2.8Å; H329-M333 PolarHBondContact ND1-O 2.88Å; H329-H335 AromaticContact CE1-CD2 3.45Å; H329-H335 PolarHBondContact CE1-CD2 2.95Å; H329-H335 VanDerWaalsContact CE1-CD2 3.45Å; H329-H335 AromaticContact CE1-NE2 3.33Å; H329-H335 PolarHBondContact CE1-NE2 3.12Å; H329-H335 VanDerWaalsContact CE1-NE2 3.33Å; H329-H335 AromaticContact NE2-CD2 3.47Å; H329-H335 PolarHBondContact NE2-CD2 3Å; H329-H335 AromaticContact NE2-NE2 3.08Å; H329-H335 PolarHBondContact NE2-NE2 3.46Å |
| 330 | N | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -28.1 | 180 | -142.7 | -118.2 | 0 | 0 | 0 | 113.2 | T271 A297 Y298 G300 G301 A302 R307 V310 E326 L327 G328 | T271-N330 VanDerWaalsContact CG2-OD1 3.28Å; T271-N330 WeakPolarHBondContact CG2-OD1 3.35Å; A297-N330 HydrophobicContact CB-CB 4.43Å; Y298-N330 WeakPolarHBondContact O-CA 3.3Å; Y298-N330 PolarHBondContact O-ND2 3.22Å; Y298-N330 VanDerWaalsContact O-ND2 3.13Å; G300-N330 CarbonylContact C-O 3.54Å; G300-N330 VanDerWaalsContact C-O 3.24Å; G300-N330 VanDerWaalsContact CA-O 3.3Å; G300-N330 WeakPolarHBondContact CA-O 3.23Å; G301-N330 WeakPolarHBondContact CA-ND2 3.44Å; G301-N330 PolarHBondContact N-O 3.28Å; A302-N330 WeakPolarHBondContact CA-OD1 3.27Å; A302-N330 VanDerWaalsContact CB-O 3.25Å; A302-N330 WeakPolarHBondContact CB-O 3.48Å; A302-N330 PolarHBondContact N-O 2.69Å; A302-N330 PolarHBondContact N-OD1 2.98Å; R307-N330 PolarHBondContact O-ND2 3.18Å; V310-N330 HydrophobicContact CG2-CB 4.18Å; E326-N330 PolarHBondContact O-N 3.36Å; L327-N330 CarbonylContact O-C 3.57Å; L327-N330 PolarHBondContact O-N 3.42Å; G328-N330 VanDerWaalsContact C-N 3.32Å; G328-N330 PolarHBondContact O-N 3.29Å |
| 331 | M | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 13.9 | 171.6 | -69.2 | -176.4 | -79.6 | 0 | 0 | 114.2 | L167 F201 V210 A302 L327 G328 H329 L372 F375 | L167-M331 HydrophobicContact CD1-SD 4.48Å; L167-M331 HydrophobicContact CD2-CE 4.24Å; L167-M331 HydrophobicContact CD2-SD 4.38Å; F201-M331 HydrophobicContact CD1-CE 3.98Å; F201-M331 HydrophobicContact CE1-CE 3.27Å; F201-M331 HydrophobicContact CE2-CE 4.22Å; F201-M331 HydrophobicContact CZ-CE 3.41Å; F201-M331 VanDerWaalsContact CZ-CE 3.41Å; V210-M331 HydrophobicContact CG1-SD 4.22Å; A302-M331 HydrophobicContact CB-CG 4.32Å; L327-M331 HydrophobicContact CB-CE 4.19Å; L327-M331 WeakPolarHBondContact O-CB 3.16Å; L327-M331 WeakPolarHBondContact O-CE 3.38Å; L327-M331 PolarHBondContact O-N 2.88Å; G328-M331 CarbonylContact O-C 3.6Å; G328-M331 PolarHBondContact O-N 3.16Å; G328-M331 VanDerWaalsContact O-N 3.1Å; H329-M331 PolarHBondContact O-N 3.37Å; M331-L372 HydrophobicContact CB-CD1 3.9Å; M331-L372 HydrophobicContact SD-CD1 4.42Å; M331-F375 HydrophobicContact CB-CD1 4.42Å; M331-F375 HydrophobicContact CB-CE1 4.42Å; M331-F375 VanDerWaalsContact O-CB 3.22Å; M331-F375 WeakPolarHBondContact O-CB 3.09Å; M331-F375 WeakPolarHBondContact O-CD1 3.33Å; M331-F375 WeakPolarHBondContact O-CG 3.36Å |
| 332 | G | 86 | Confident | 84.9 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 19% | 0.186 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 13.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G328 H329 | G328-G332 PolarHBondContact O-N 2.84Å; G328-G332 VanDerWaalsContact O-N 3.1Å; H329-G332 PolarHBondContact O-N 2.8Å |
| 333 | M | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -77.1 | 133.4 | 169.2 | -53.6 | 171.9 | -172.9 | 0 | 0 | 109.9 | F201 L206 L299 G328 H329 M349 W364 D371 L372 | F201-M333 HydrophobicContact CE1-CE 4.32Å; L206-M333 HydrophobicContact CD1-CE 3.71Å; L299-M333 VanDerWaalsContact CD1-O 3.24Å; L299-M333 WeakPolarHBondContact CD1-O 3.32Å; G328-M333 VanDerWaalsContact CA-SD 3.6Å; G328-M333 WeakPolarHBondContact O-CB 3.46Å; G328-M333 PolarHBondContact O-N 3.4Å; H329-M333 PolarHBondContact ND1-O 2.88Å; M333-M349 HydrophobicContact CB-CE 3.99Å; M333-M349 HydrophobicContact CB-CG 4.07Å; M333-M349 HydrophobicContact CB-SD 4.22Å; M333-M349 HydrophobicContact SD-CG 3.97Å; M333-M349 HydrophobicContact SD-SD 4.08Å; M333-W364 HydrophobicContact CE-CE3 4.05Å; M333-W364 HydrophobicContact CE-CH2 4.31Å; M333-W364 HydrophobicContact CE-CZ3 3.86Å; M333-W364 HydrophobicContact SD-CE3 3.71Å; M333-W364 HydrophobicContact SD-CH2 4.21Å; M333-W364 HydrophobicContact SD-CZ3 3.35Å; M333-W364 WeakPolarHBondContact SD-CZ3 3.38Å; M333-D371 HydrophobicContact CB-CB 4.46Å; M333-L372 HydrophobicContact CE-CB 3.74Å; M333-L372 HydrophobicContact CE-CD1 4.18Å; M333-L372 HydrophobicContact CE-CD2 3.8Å; M333-L372 HydrophobicContact CE-CG 4.1Å; M333-L372 HydrophobicContact CG-CB 4.37Å | ||
| 334 | S | 87.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -88.6 | -177.4 | 167.4 | 61.8 | 0 | 0 | 0 | 0 | 111 | H339 D371 | S334-H339 PolarHBondContact OG-NE2 3.01Å; S334-D371 PolarHBondContact N-OD2 3Å; S334-D371 PolarHBondContact OG-OD2 3.25Å | ||
| 335 | H | 88.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | trans | -70 | 148 | 173.1 | -64.4 | 141.5 | 0 | 0 | 0 | 110.9 | H325 H329 D337 D338 H339 M349 | H325-H335 AromaticContact CE1-CD2 3.61Å; H325-H335 AromaticContact CE1-NE2 3.72Å; H325-H335 AromaticContact NE2-CD2 3.69Å; H325-H335 AromaticContact NE2-NE2 3.35Å; H325-H335 PolarHBondContact NE2-NE2 2.79Å; H329-H335 AromaticContact CE1-CD2 3.45Å; H329-H335 PolarHBondContact CE1-CD2 2.95Å; H329-H335 VanDerWaalsContact CE1-CD2 3.45Å; H329-H335 AromaticContact CE1-NE2 3.33Å; H329-H335 PolarHBondContact CE1-NE2 3.12Å; H329-H335 VanDerWaalsContact CE1-NE2 3.33Å; H329-H335 AromaticContact NE2-CD2 3.47Å; H329-H335 PolarHBondContact NE2-CD2 3Å; H329-H335 AromaticContact NE2-NE2 3.08Å; H329-H335 PolarHBondContact NE2-NE2 3.46Å; H335-D337 PolarHBondContact O-N 2.77Å; H335-D338 WeakPolarHBondContact CB-OD2 3.34Å; H335-D338 PolarHBondContact N-OD2 2.82Å; H335-D338 VanDerWaalsContact N-OD2 3.11Å; H335-D338 WeakPolarHBondContact O-CB 3.48Å; H335-D338 PolarHBondContact O-N 2.99Å; H335-D338 VanDerWaalsContact O-N 3.08Å; H335-H339 PolarHBondContact O-CD2 2.03Å; H335-M349 CarbonylContact C-O 3.57Å; H335-M349 WeakPolarHBondContact CA-O 3.4Å; H335-M349 WeakPolarHBondContact CB-O 3.32Å | ||
| 336 | D | 83.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -64.4 | -26.8 | 176.2 | -67.6 | -44.2 | 0 | 0 | 0 | 111.8 | D338 H339 C342 H347 M349 S350 S365 S368 | D336-D338 VanDerWaalsContact C-N 3.31Å; D336-D338 PolarHBondContact O-N 2.76Å; D336-H339 PolarHBondContact O-N 3.16Å; D336-C342 HydrophobicContact CB-CB 4.39Å; D336-H347 WeakPolarHBondContact OD2-CB 3.4Å; D336-M349 PolarHBondContact N-O 3.39Å; D336-M349 VanDerWaalsContact OD2-C 3.31Å; D336-M349 WeakPolarHBondContact OD2-CA 3.33Å; D336-M349 WeakPolarHBondContact OD2-CB 3.47Å; D336-M349 PolarHBondContact OD2-N 2.03Å; D336-S350 PolarHBondContact OD2-N 3.04Å; D336-S365 VanDerWaalsContact OD1-CB 3.25Å; D336-S365 WeakPolarHBondContact OD1-CB 3.35Å; D336-S365 PolarHBondContact OD1-OG 2.82Å; D336-S368 PolarHBondContact OD1-OG 2.92Å |
| 337 | D | 80.6 | Confident | 79.5 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -74 | -17.2 | 175.4 | -56.3 | -69 | 0 | 0 | 0 | 113.4 | H335 H339 H345 G351 | H335-D337 PolarHBondContact O-N 2.77Å; D337-H339 PolarHBondContact O-N 3.37Å; D337-H345 IonicContact OD1-CE1 2.75Å; D337-H345 PolarHBondContact OD1-CE1 2.9Å; D337-H345 IonicContact OD1-ND1 2.7Å; D337-H345 PolarHBondContact OD1-ND1 3.05Å; D337-G351 PolarHBondContact OD2-N 2.9Å |
| 338 | D | 78.8 | Confident | 79.1 | Confident | 113 Ų | 113 | 44.2 Ų | 44.2 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -74.9 | -13.8 | 170.6 | -59.8 | -41.9 | 0 | 0 | 0 | 111.6 | H335 D336 | H335-D338 WeakPolarHBondContact CB-OD2 3.34Å; H335-D338 PolarHBondContact N-OD2 2.82Å; H335-D338 VanDerWaalsContact N-OD2 3.11Å; H335-D338 WeakPolarHBondContact O-CB 3.48Å; H335-D338 PolarHBondContact O-N 2.99Å; H335-D338 VanDerWaalsContact O-N 3.08Å; D336-D338 VanDerWaalsContact C-N 3.31Å; D336-D338 PolarHBondContact O-N 2.76Å |
| 339 | H | 78.4 | Confident | 79 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -106.3 | 116.4 | -177.4 | -69.3 | -86.3 | 0 | 0 | 0 | 112.1 | S334 H335 D336 D337 N341 C342 C367 D371 | S334-H339 PolarHBondContact OG-NE2 3.01Å; H335-H339 PolarHBondContact O-CD2 2.03Å; D336-H339 PolarHBondContact O-N 3.16Å; D337-H339 PolarHBondContact O-N 3.37Å; H339-N341 PolarHBondContact O-N 2.79Å; H339-C342 HydrophobicContact CB-CB 4.16Å; H339-C342 PolarHBondContact O-N 2.96Å; H339-C367 HydrophobicContact CB-CB 4.05Å; H339-C367 VanDerWaalsContact CB-SG 3.52Å; H339-D371 IonicContact CD2-OD2 3.37Å; H339-D371 IonicContact CE1-OD1 2.68Å; H339-D371 PolarHBondContact CE1-OD1 3.16Å; H339-D371 IonicContact CE1-OD2 3.48Å; H339-D371 PolarHBondContact CE1-OD2 2.7Å; H339-D371 IonicContact NE2-OD1 3.26Å; H339-D371 IonicContact NE2-OD2 3.76Å; H339-D371 PolarHBondContact NE2-OD2 2.78Å |
| 340 | A | 71.6 | Confident | 78.7 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 78% | 0.777 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 341 | N | 75.7 | Confident | 77.7 | Confident | 157 Ų | 157 | 45.7 Ų | 45.7 | 84% | 0.84 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -8.2 | -179.6 | -73.5 | -1.4 | 0 | 0 | 0 | 114.4 | H339 | H339-N341 PolarHBondContact O-N 2.79Š|
| 342 | C | 76.4 | Confident | 76.6 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 11.3 | -171.6 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | D336 H339 S344 S366 C367 | D336-C342 HydrophobicContact CB-CB 4.39Å; H339-C342 HydrophobicContact CB-CB 4.16Å; H339-C342 PolarHBondContact O-N 2.96Å; C342-S344 PolarHBondContact O-N 2.81Å; C342-S344 PolarHBondContact O-OG 3.43Å; C342-S366 PolarHBondContact SG-OG 2.87Å; C342-C367 HydrophobicContact CB-CB 3.69Å; C342-C367 WeakPolarHBondContact CB-SG 3.44Å; C342-C367 WeakPolarHBondContact SG-CB 3.12Å; C342-C367 PolarHBondContact SG-N 2.95Å; C342-C367 CovalentContact SG-SG 2.03Å; C342-C367 PolarHBondContact SG-SG 3.14Å |
| 343 | T | 63.1 | Low | 75.3 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | trans | -57.8 | 88.9 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 344 | S | 59.4 | Low | 73.5 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | trans | -155.7 | 127.4 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | C342 S346 H347 S350 | C342-S344 PolarHBondContact O-N 2.81Å; C342-S344 PolarHBondContact O-OG 3.43Å; S344-S346 PolarHBondContact O-N 3.49Å; S344-H347 PolarHBondContact OG-CD2 2.94Å; S344-S350 PolarHBondContact O-OG 3.35Å | ||
| 345 | H | 60.9 | Low | 71.5 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 45.4 | -177.4 | -46.2 | -56.5 | 0 | 0 | 0 | 112.1 | D337 S350 V354 | D337-H345 IonicContact OD1-CE1 2.75Å; D337-H345 PolarHBondContact OD1-CE1 2.9Å; D337-H345 IonicContact OD1-ND1 2.7Å; D337-H345 PolarHBondContact OD1-ND1 3.05Å; H345-S350 WeakPolarHBondContact CA-OG 2.93Å; H345-V354 HydrophobicContact CB-CG2 4.36Å |
| 346 | S | 64.7 | Low | 69.4 | Low | 46 Ų | 46 | 62.9 Ų | 62.9 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 1.4 | -172.3 | 46 | 0 | 0 | 0 | 0 | 114.6 | S344 S350 | S344-S346 PolarHBondContact O-N 3.49Å; S346-S350 PolarHBondContact N-OG 2.84Å |
| 347 | H | 78.6 | Confident | 67.9 | Low | 42 Ų | 42 | 68.5 Ų | 68.5 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 166 | -173.4 | -68.4 | -52.2 | 0 | 0 | 0 | 112 | D336 S344 M349 S350 S363 S365 | D336-H347 WeakPolarHBondContact OD2-CB 3.4Å; S344-H347 PolarHBondContact OG-CD2 2.94Å; H347-M349 PolarHBondContact O-N 3.18Å; H347-S350 PolarHBondContact N-OG 3.18Å; H347-S350 PolarHBondContact O-N 3.45Å; H347-S350 PolarHBondContact O-OG 2.84Å; H347-S350 VanDerWaalsContact O-OG 3.12Å; H347-S363 WeakPolarHBondContact CA-O 3.01Å; H347-S363 WeakPolarHBondContact CB-O 3.49Å; H347-S363 PolarHBondContact CE1-OG 3.25Å; H347-S363 PolarHBondContact ND1-O 2.87Å; H347-S363 PolarHBondContact ND1-OG 2.99Å; H347-S363 VanDerWaalsContact ND1-OG 3.17Å; H347-S365 VanDerWaalsContact CD2-CB 3.46Å; H347-S365 WeakPolarHBondContact CD2-CB 3.31Å |
| 348 | I | 82.1 | Confident | 66.3 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.6 | -174.2 | -64.7 | 166.7 | 0 | 0 | 0 | 112.3 | M200 F321 A324 H325 L362 S363 W364 | M200-I348 HydrophobicContact CB-CD1 4.3Å; M200-I348 HydrophobicContact CG-CD1 4.48Å; F321-I348 HydrophobicContact CD2-CG1 4.4Å; F321-I348 HydrophobicContact CD2-CG2 4.47Å; F321-I348 HydrophobicContact CE2-CB 4.11Å; F321-I348 HydrophobicContact CE2-CG1 3.95Å; F321-I348 HydrophobicContact CE2-CG2 4.1Å; F321-I348 WeakPolarHBondContact CZ-O 3.46Å; A324-I348 HydrophobicContact CB-CG2 4.3Å; H325-I348 HydrophobicContact CB-CG2 4.49Å; H325-I348 PolarHBondContact ND1-O 3.25Å; I348-L362 HydrophobicContact CD1-CB 4.44Å; I348-L362 HydrophobicContact CG1-CB 4.12Å; I348-S363 PolarHBondContact N-O 2.89Å; I348-W364 HydrophobicContact CB-CD2 4.2Å; I348-W364 HydrophobicContact CB-CE3 3.86Å; I348-W364 HydrophobicContact CB-CH2 4.23Å; I348-W364 HydrophobicContact CB-CZ3 3.87Å; I348-W364 HydrophobicContact CD1-CD2 3.85Å; I348-W364 HydrophobicContact CD1-CE3 4.38Å; I348-W364 HydrophobicContact CD1-CG 4.21Å; I348-W364 HydrophobicContact CD1-CH2 4.38Å; I348-W364 HydrophobicContact CD1-CZ2 3.85Å; I348-W364 HydrophobicContact CG2-CE3 4.08Å; I348-W364 HydrophobicContact CG2-CH2 3.58Å; I348-W364 HydrophobicContact CG2-CZ2 4.13Å; I348-W364 HydrophobicContact CG2-CZ3 3.55Å |
| 349 | M | 85.6 | Confident | 64.8 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 15.2 | 179 | -59.2 | -55.9 | -58.1 | 0 | 0 | 113.9 | M333 H335 D336 H347 W364 | M333-M349 HydrophobicContact CB-CE 3.99Å; M333-M349 HydrophobicContact CB-CG 4.07Å; M333-M349 HydrophobicContact CB-SD 4.22Å; M333-M349 HydrophobicContact SD-CG 3.97Å; M333-M349 HydrophobicContact SD-SD 4.08Å; H335-M349 CarbonylContact C-O 3.57Å; H335-M349 WeakPolarHBondContact CA-O 3.4Å; H335-M349 WeakPolarHBondContact CB-O 3.32Å; D336-M349 PolarHBondContact N-O 3.39Å; D336-M349 VanDerWaalsContact OD2-C 3.31Å; D336-M349 WeakPolarHBondContact OD2-CA 3.33Å; D336-M349 WeakPolarHBondContact OD2-CB 3.47Å; D336-M349 PolarHBondContact OD2-N 2.03Å; H347-M349 PolarHBondContact O-N 3.18Å; M349-W364 HydrophobicContact CG-CE3 4.21Å; M349-W364 HydrophobicContact CG-CZ3 3.97Å; M349-W364 HydrophobicContact SD-CZ3 3.92Å |
| 350 | S | 82.8 | Confident | 63 | Low | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | trans | -61.9 | 137.7 | 170.8 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | D336 S344 H345 S346 H347 E352 | D336-S350 PolarHBondContact OD2-N 3.04Å; S344-S350 PolarHBondContact O-OG 3.35Å; H345-S350 WeakPolarHBondContact CA-OG 2.93Å; S346-S350 PolarHBondContact N-OG 2.84Å; H347-S350 PolarHBondContact N-OG 3.18Å; H347-S350 PolarHBondContact O-N 3.45Å; H347-S350 PolarHBondContact O-OG 2.84Å; H347-S350 VanDerWaalsContact O-OG 3.12Å; S350-E352 VanDerWaalsContact C-N 3.33Å; S350-E352 PolarHBondContact O-N 2.89Å | ||
| 351 | G | 68 | Low | 62.1 | Low | 45 Ų | 45 | 70 Ų | 70 | 46% | 0.464 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -77.1 | -12.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D337 | D337-G351 PolarHBondContact OD2-N 2.9Š|
| 352 | E | 65.6 | Low | 61.6 | Low | 147 Ų | 147 | 63.4 Ų | 63.4 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -129.8 | 128.8 | 172.9 | -172 | 167 | -159 | 0 | 0 | 110.5 | S350 | S350-E352 VanDerWaalsContact C-N 3.33Å; S350-E352 PolarHBondContact O-N 2.89Å |
| 353 | W | 60.1 | Low | 61.6 | Low | 78 Ų | 78 | 64.5 Ų | 64.5 | 30% | 0.295 | 35% | 0.349 | S | S | . | . | trans | -91.3 | 118.6 | -176.3 | -176.1 | 70.2 | 0 | 0 | 0 | 112.3 | N318 F321 K355 | N318-W353 HydrophobicContact CB-CH2 4.46Å; N318-W353 HydrophobicContact CB-CZ2 4.45Å; N318-W353 WeakPolarHBondContact ND2-CH2 3.06Å; F321-W353 AromaticContact CD1-CD1 3.79Å; F321-W353 AromaticContact CD1-NE1 3.97Å; F321-W353 AromaticContact CE1-CD1 3.45Å; F321-W353 VanDerWaalsContact CE1-CD1 3.45Å; F321-W353 HydrophobicContact CE1-CG 4.3Å; F321-W353 AromaticContact CZ-CD1 3.91Å; W353-K355 HydrophobicContact CE3-CB 4.25Å; W353-K355 HydrophobicContact CE3-CG 3.75Å; W353-K355 HydrophobicContact CH2-CB 4.13Å; W353-K355 HydrophobicContact CH2-CG 4.39Å; W353-K355 HydrophobicContact CZ3-CB 3.75Å; W353-K355 HydrophobicContact CZ3-CD 4.17Å; W353-K355 HydrophobicContact CZ3-CG 3.52Å; W353-K355 PolarHBondContact O-N 2.78Å | ||
| 354 | V | 52.3 | Low | 62.6 | Low | 68 Ų | 68 | 60.2 Ų | 60.2 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -78.8 | 110.2 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | H345 | H345-V354 HydrophobicContact CB-CG2 4.36Š| ||
| 355 | K | 45.1 | Very low | 63.9 | Low | 140 Ų | 140 | 58.6 Ų | 58.6 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 146.1 | -179.5 | -49.1 | -161.1 | 173.8 | 176.2 | 0 | 112.3 | W353 | W353-K355 HydrophobicContact CE3-CB 4.25Å; W353-K355 HydrophobicContact CE3-CG 3.75Å; W353-K355 HydrophobicContact CH2-CB 4.13Å; W353-K355 HydrophobicContact CH2-CG 4.39Å; W353-K355 HydrophobicContact CZ3-CB 3.75Å; W353-K355 HydrophobicContact CZ3-CD 4.17Å; W353-K355 HydrophobicContact CZ3-CG 3.52Å; W353-K355 PolarHBondContact O-N 2.78Å |
| 356 | G | 43.5 | Very low | 65.1 | Low | 32 Ų | 32 | 57.9 Ų | 57.9 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 17 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | L450 | G356-L450 WeakPolarHBondContact CA-O 3.47Š|
| 357 | R | 52.4 | Low | 66.1 | Low | 118 Ų | 118 | 56.4 Ų | 56.4 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | trans | -95.4 | 138.9 | 174.6 | -68.8 | -168.4 | -179.8 | -159.9 | 4.4 | 113 | ||||
| 358 | N | 48.2 | Very low | 66.6 | Low | 34 Ų | 34 | 54.4 Ų | 54.4 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | trans | -67.7 | 132.7 | 179.4 | -80.8 | -56.5 | 0 | 0 | 0 | 113 | N360 N361 G467 G468 | N358-N360 VanDerWaalsContact C-N 3.27Å; N358-N360 PolarHBondContact O-N 3.34Å; N358-N361 PolarHBondContact O-N 2.79Å; N358-N361 VanDerWaalsContact O-N 3.12Å; N358-G467 WeakPolarHBondContact ND2-CA 3.34Å; N358-G467 PolarHBondContact ND2-O 2.88Å; N358-G468 PolarHBondContact ND2-N 3.5Å | ||
| 359 | P | 46.1 | Very low | 66.9 | Low | 38 Ų | 38 | 55 Ų | 55 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -55.6 | -34.9 | -178.7 | -28.9 | 35.6 | 0 | 0 | 0 | 115.3 | M200 N361 L362 | M200-P359 HydrophobicContact CE-CB 3.91Å; P359-N361 PolarHBondContact O-N 2.92Å; P359-L362 WeakPolarHBondContact O-CB 3.45Å; P359-L362 PolarHBondContact O-N 2.02Å |
| 360 | N | 41.7 | Very low | 66.9 | Low | 124 Ų | 124 | 57.6 Ų | 57.6 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -73.6 | -7.7 | -177.6 | -72.5 | -26 | 0 | 0 | 0 | 114.5 | N358 E455 | N358-N360 VanDerWaalsContact C-N 3.27Å; N358-N360 PolarHBondContact O-N 3.34Å; N360-E455 PolarHBondContact ND2-OE2 2.78Å |
| 361 | N | 51.8 | Low | 67.1 | Low | 144 Ų | 144 | 58.2 Ų | 58.2 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -106.5 | 12.3 | 176.6 | -155.6 | 22.1 | 0 | 0 | 0 | 112.3 | N358 P359 | N358-N361 PolarHBondContact O-N 2.79Å; N358-N361 VanDerWaalsContact O-N 3.12Å; P359-N361 PolarHBondContact O-N 2.92Å |
| 362 | L | 64.6 | Low | 68 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -93.3 | 132.2 | -180 | -59.6 | 174.3 | 0 | 0 | 0 | 109.9 | F321 I348 P359 | F321-L362 HydrophobicContact CD2-CD1 3.48Å; F321-L362 VanDerWaalsContact CD2-CD1 3.48Å; F321-L362 HydrophobicContact CE2-CD1 3.87Å; F321-L362 HydrophobicContact CG-CD1 4.41Å; I348-L362 HydrophobicContact CD1-CB 4.44Å; I348-L362 HydrophobicContact CG1-CB 4.12Å; P359-L362 WeakPolarHBondContact O-CB 3.45Å; P359-L362 PolarHBondContact O-N 2.02Å | ||
| 363 | S | 77.9 | Confident | 68.9 | Low | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -129.4 | 147.3 | -178.1 | 56 | 0 | 0 | 0 | 0 | 110.6 | H347 I348 | H347-S363 WeakPolarHBondContact CA-O 3.01Å; H347-S363 WeakPolarHBondContact CB-O 3.49Å; H347-S363 PolarHBondContact CE1-OG 3.25Å; H347-S363 PolarHBondContact ND1-O 2.87Å; H347-S363 PolarHBondContact ND1-OG 2.99Å; H347-S363 VanDerWaalsContact ND1-OG 3.17Å; I348-S363 PolarHBondContact N-O 2.89Å |
| 364 | W | 84.1 | Confident | 70.1 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | trans | -68.8 | 143.4 | 166.5 | -56.3 | 94.6 | 0 | 0 | 0 | 110.7 | M200 F201 S205 L206 M333 I348 M349 | M200-W364 PolarHBondContact O-NE1 2.84Å; F201-W364 HydrophobicContact CD1-CH2 4.17Å; F201-W364 AromaticContact CD1-CZ2 3.63Å; F201-W364 HydrophobicContact CD1-CZ2 3.63Å; F201-W364 HydrophobicContact CD2-CZ2 4.43Å; F201-W364 AromaticContact CE1-CH2 3.4Å; F201-W364 HydrophobicContact CE1-CH2 3.4Å; F201-W364 VanDerWaalsContact CE1-CH2 3.4Å; F201-W364 AromaticContact CE1-CZ2 3.34Å; F201-W364 HydrophobicContact CE1-CZ2 3.34Å; F201-W364 HydrophobicContact CE1-CZ3 4.42Å; F201-W364 HydrophobicContact CE2-CH2 4.39Å; F201-W364 HydrophobicContact CE2-CZ2 4.23Å; F201-W364 HydrophobicContact CG-CZ2 4.16Å; F201-W364 AromaticContact CZ-CH2 3.54Å; F201-W364 HydrophobicContact CZ-CH2 3.54Å; F201-W364 AromaticContact CZ-CZ2 3.68Å; F201-W364 HydrophobicContact CZ-CZ2 3.68Å; S205-W364 WeakPolarHBondContact CB-O 3.3Å; S205-W364 PolarHBondContact OG-N 2.96Å; S205-W364 PolarHBondContact OG-O 3.47Å; S205-W364 VanDerWaalsContact OG-O 3.05Å; L206-W364 HydrophobicContact CB-CB 4.41Å; L206-W364 HydrophobicContact CB-CG 4.06Å; L206-W364 HydrophobicContact CD1-CB 4.01Å; L206-W364 HydrophobicContact CD1-CD2 3.83Å; L206-W364 HydrophobicContact CD1-CE3 4.3Å; L206-W364 HydrophobicContact CD1-CG 3.69Å; L206-W364 HydrophobicContact CG-CG 4.33Å; M333-W364 HydrophobicContact CE-CE3 4.05Å; M333-W364 HydrophobicContact CE-CH2 4.31Å; M333-W364 HydrophobicContact CE-CZ3 3.86Å; M333-W364 HydrophobicContact SD-CE3 3.71Å; M333-W364 HydrophobicContact SD-CH2 4.21Å; M333-W364 HydrophobicContact SD-CZ3 3.35Å; M333-W364 WeakPolarHBondContact SD-CZ3 3.38Å; I348-W364 HydrophobicContact CB-CD2 4.2Å; I348-W364 HydrophobicContact CB-CE3 3.86Å; I348-W364 HydrophobicContact CB-CH2 4.23Å; I348-W364 HydrophobicContact CB-CZ3 3.87Å; I348-W364 HydrophobicContact CD1-CD2 3.85Å; I348-W364 HydrophobicContact CD1-CE3 4.38Å; I348-W364 HydrophobicContact CD1-CG 4.21Å; I348-W364 HydrophobicContact CD1-CH2 4.38Å; I348-W364 HydrophobicContact CD1-CZ2 3.85Å; I348-W364 HydrophobicContact CG2-CE3 4.08Å; I348-W364 HydrophobicContact CG2-CH2 3.58Å; I348-W364 HydrophobicContact CG2-CZ2 4.13Å; I348-W364 HydrophobicContact CG2-CZ3 3.55Å; M349-W364 HydrophobicContact CG-CE3 4.21Å; M349-W364 HydrophobicContact CG-CZ3 3.97Å; M349-W364 HydrophobicContact SD-CZ3 3.92Å | ||
| 365 | S | 86.7 | Confident | 71.6 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -76.1 | 166.9 | 174.2 | 94.3 | 0 | 0 | 0 | 0 | 111.1 | D336 H347 C367 S368 S369 | D336-S365 VanDerWaalsContact OD1-CB 3.25Å; D336-S365 WeakPolarHBondContact OD1-CB 3.35Å; D336-S365 PolarHBondContact OD1-OG 2.82Å; H347-S365 VanDerWaalsContact CD2-CB 3.46Å; H347-S365 WeakPolarHBondContact CD2-CB 3.31Å; S365-C367 PolarHBondContact O-N 3.05Å; S365-C367 PolarHBondContact OG-N 2.74Å; S365-S368 PolarHBondContact N-OG 2.83Å; S365-S368 PolarHBondContact O-N 2.68Å; S365-S368 PolarHBondContact OG-N 2.93Å; S365-S368 PolarHBondContact OG-OG 3.01Å; S365-S369 PolarHBondContact O-N 2.75Å; S365-S369 VanDerWaalsContact O-N 3.1Å | ||
| 366 | S | 84.5 | Confident | 73.3 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.3 | -28.6 | 171.8 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | C342 S370 | C342-S366 PolarHBondContact SG-OG 2.87Å; S366-S370 WeakPolarHBondContact O-CB 3.23Å; S366-S370 PolarHBondContact O-N 2.98Å |
| 367 | C | 87.4 | Confident | 74.8 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.095 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.4 | -45.5 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | H339 C342 S365 S369 S370 D371 | H339-C367 HydrophobicContact CB-CB 4.05Å; H339-C367 VanDerWaalsContact CB-SG 3.52Å; C342-C367 HydrophobicContact CB-CB 3.69Å; C342-C367 WeakPolarHBondContact CB-SG 3.44Å; C342-C367 WeakPolarHBondContact SG-CB 3.12Å; C342-C367 PolarHBondContact SG-N 2.95Å; C342-C367 CovalentContact SG-SG 2.03Å; C342-C367 PolarHBondContact SG-SG 3.14Å; S365-C367 PolarHBondContact O-N 3.05Å; S365-C367 PolarHBondContact OG-N 2.74Å; C367-S369 VanDerWaalsContact C-N 3.25Å; C367-S369 PolarHBondContact O-N 3.29Å; C367-S370 WeakPolarHBondContact O-CA 3.44Å; C367-S370 WeakPolarHBondContact O-CB 3.42Å; C367-S370 PolarHBondContact O-N 2.03Å; C367-D371 PolarHBondContact O-N 3.3Å |
| 368 | S | 88.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 175.6 | -14 | 0 | 0 | 0 | 0 | 111.7 | D336 S365 L372 | D336-S368 PolarHBondContact OD1-OG 2.92Å; S365-S368 PolarHBondContact N-OG 2.83Å; S365-S368 PolarHBondContact O-N 2.68Å; S365-S368 PolarHBondContact OG-N 2.93Å; S365-S368 PolarHBondContact OG-OG 3.01Å; S368-L372 WeakPolarHBondContact O-CB 3.34Å; S368-L372 PolarHBondContact O-N 2.98Å; S368-L372 VanDerWaalsContact O-N 3.11Å |
| 369 | S | 87.6 | Confident | 75.7 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 172.1 | -177.2 | 0 | 0 | 0 | 0 | 113 | L206 S365 C367 Q373 | L206-S369 WeakPolarHBondContact O-CB 3.41Å; L206-S369 PolarHBondContact O-OG 3.47Å; S365-S369 PolarHBondContact O-N 2.75Å; S365-S369 VanDerWaalsContact O-N 3.1Å; C367-S369 VanDerWaalsContact C-N 3.25Å; C367-S369 PolarHBondContact O-N 3.29Å; S369-Q373 WeakPolarHBondContact O-CB 3.41Å; S369-Q373 VanDerWaalsContact O-CG 3.24Å; S369-Q373 WeakPolarHBondContact O-CG 3.47Å; S369-Q373 PolarHBondContact O-N 2.93Å; S369-Q373 PolarHBondContact O-NE2 2.65Å; S369-Q373 PolarHBondContact OG-NE2 3.01Å |
| 370 | S | 85.4 | Confident | 76 | Confident | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | S366 C367 Q373 N374 | S366-S370 WeakPolarHBondContact O-CB 3.23Å; S366-S370 PolarHBondContact O-N 2.98Å; C367-S370 WeakPolarHBondContact O-CA 3.44Å; C367-S370 WeakPolarHBondContact O-CB 3.42Å; C367-S370 PolarHBondContact O-N 2.03Å; S370-Q373 PolarHBondContact O-N 3.34Å; S370-N374 VanDerWaalsContact O-CG 3.29Å; S370-N374 PolarHBondContact O-N 2.88Å; S370-N374 PolarHBondContact O-ND2 3.32Å |
| 371 | D | 87.1 | Confident | 76.8 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.5 | -68.9 | -14.2 | 0 | 0 | 0 | 111.9 | M333 S334 H339 C367 Q373 N374 F375 | M333-D371 HydrophobicContact CB-CB 4.46Å; S334-D371 PolarHBondContact N-OD2 3Å; S334-D371 PolarHBondContact OG-OD2 3.25Å; H339-D371 IonicContact CD2-OD2 3.37Å; H339-D371 IonicContact CE1-OD1 2.68Å; H339-D371 PolarHBondContact CE1-OD1 3.16Å; H339-D371 IonicContact CE1-OD2 3.48Å; H339-D371 PolarHBondContact CE1-OD2 2.7Å; H339-D371 IonicContact NE2-OD1 3.26Å; H339-D371 IonicContact NE2-OD2 3.76Å; H339-D371 PolarHBondContact NE2-OD2 2.78Å; C367-D371 PolarHBondContact O-N 3.3Å; D371-Q373 VanDerWaalsContact C-N 3.34Å; D371-Q373 PolarHBondContact O-N 3.46Å; D371-N374 WeakPolarHBondContact O-CA 3.24Å; D371-N374 WeakPolarHBondContact O-CB 3.02Å; D371-N374 PolarHBondContact O-N 2.56Å; D371-N374 VanDerWaalsContact O-N 3.1Å; D371-F375 PolarHBondContact O-N 3.1Å |
| 372 | L | 87.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 173 | 178.1 | 64.6 | 0 | 0 | 0 | 111.3 | L206 V208 V210 M331 M333 S368 N374 F375 L376 | L206-L372 HydrophobicContact CD1-CD2 3.65Å; L206-L372 HydrophobicContact CD2-CD2 3.84Å; L206-L372 HydrophobicContact CG-CD2 3.74Å; V208-L372 HydrophobicContact CB-CD2 4.4Å; V210-L372 HydrophobicContact CG2-CD2 4.1Å; M331-L372 HydrophobicContact CB-CD1 3.9Å; M331-L372 HydrophobicContact SD-CD1 4.42Å; M333-L372 HydrophobicContact CE-CB 3.74Å; M333-L372 HydrophobicContact CE-CD1 4.18Å; M333-L372 HydrophobicContact CE-CD2 3.8Å; M333-L372 HydrophobicContact CE-CG 4.1Å; M333-L372 HydrophobicContact CG-CB 4.37Å; S368-L372 WeakPolarHBondContact O-CB 3.34Å; S368-L372 PolarHBondContact O-N 2.98Å; S368-L372 VanDerWaalsContact O-N 3.11Å; L372-N374 VanDerWaalsContact C-N 3.27Å; L372-N374 PolarHBondContact O-N 2.97Å; L372-F375 PolarHBondContact O-N 2.86Å; L372-L376 HydrophobicContact CD1-CD1 3.94Å; L372-L376 HydrophobicContact CD1-CG 4.03Å; L372-L376 HydrophobicContact CD2-CD1 4.41Å; L372-L376 HydrophobicContact CG-CD1 3.8Å; L372-L376 HydrophobicContact CG-CG 4.28Å; L372-L376 WeakPolarHBondContact O-CB 3.41Å; L372-L376 WeakPolarHBondContact O-CG 3.06Å; L372-L376 PolarHBondContact O-N 3.19Å |
| 373 | Q | 85.3 | Confident | 77.6 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 175.6 | -74.2 | 176.5 | 59.9 | 0 | 0 | 111.8 | L161 V208 S369 S370 D371 R377 | L161-Q373 HydrophobicContact CD2-CB 4.46Å; L161-Q373 HydrophobicContact CD2-CG 4.06Å; V208-Q373 HydrophobicContact CG2-CG 3.66Å; S369-Q373 WeakPolarHBondContact O-CB 3.41Å; S369-Q373 VanDerWaalsContact O-CG 3.24Å; S369-Q373 WeakPolarHBondContact O-CG 3.47Å; S369-Q373 PolarHBondContact O-N 2.93Å; S369-Q373 PolarHBondContact O-NE2 2.65Å; S369-Q373 PolarHBondContact OG-NE2 3.01Å; S370-Q373 PolarHBondContact O-N 3.34Å; D371-Q373 VanDerWaalsContact C-N 3.34Å; D371-Q373 PolarHBondContact O-N 3.46Å; Q373-R377 WeakPolarHBondContact O-CB 3.17Å; Q373-R377 PolarHBondContact O-N 2.81Å |
| 374 | N | 85 | Confident | 77.2 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 174.9 | -73.9 | -42.7 | 0 | 0 | 0 | 112.3 | S370 D371 L372 R377 N378 | S370-N374 VanDerWaalsContact O-CG 3.29Å; S370-N374 PolarHBondContact O-N 2.88Å; S370-N374 PolarHBondContact O-ND2 3.32Å; D371-N374 WeakPolarHBondContact O-CA 3.24Å; D371-N374 WeakPolarHBondContact O-CB 3.02Å; D371-N374 PolarHBondContact O-N 2.56Å; D371-N374 VanDerWaalsContact O-N 3.1Å; L372-N374 VanDerWaalsContact C-N 3.27Å; L372-N374 PolarHBondContact O-N 2.97Å; N374-R377 PolarHBondContact O-N 3.13Å; N374-R377 PolarHBondContact OD1-NH2 2.84Å; N374-N378 PolarHBondContact O-N 3.42Å |
| 375 | F | 84.4 | Confident | 76.7 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.6 | 176.8 | -102 | 0 | 0 | 0 | 112 | A302 M331 D371 L372 R377 N378 A382 S383 L386 | A302-F375 HydrophobicContact CB-CZ 4.17Å; M331-F375 HydrophobicContact CB-CD1 4.42Å; M331-F375 HydrophobicContact CB-CE1 4.42Å; M331-F375 VanDerWaalsContact O-CB 3.22Å; M331-F375 WeakPolarHBondContact O-CB 3.09Å; M331-F375 WeakPolarHBondContact O-CD1 3.33Å; M331-F375 WeakPolarHBondContact O-CG 3.36Å; D371-F375 PolarHBondContact O-N 3.1Å; L372-F375 PolarHBondContact O-N 2.86Å; F375-R377 VanDerWaalsContact C-N 3.29Å; F375-R377 PolarHBondContact O-N 2.87Å; F375-N378 WeakPolarHBondContact O-CB 3.24Å; F375-N378 PolarHBondContact O-N 2.89Å; F375-A382 HydrophobicContact CE2-CB 4.1Å; F375-S383 PolarHBondContact O-OG 3.25Å; F375-L386 HydrophobicContact CE1-CD1 4.13Å |
| 376 | L | 79.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -26.8 | 176.5 | -66.7 | 175.1 | 0 | 0 | 0 | 112.8 | Y165 V208 L372 S383 L386 R387 | Y165-L376 HydrophobicContact CD1-CD2 3.78Å; Y165-L376 HydrophobicContact CD2-CD1 3.87Å; Y165-L376 HydrophobicContact CD2-CD2 4.44Å; Y165-L376 HydrophobicContact CE1-CD2 3.89Å; Y165-L376 HydrophobicContact CE2-CD1 3.81Å; Y165-L376 HydrophobicContact CG-CD1 4.29Å; Y165-L376 HydrophobicContact CG-CD2 4.07Å; V208-L376 HydrophobicContact CB-CD1 4.49Å; V208-L376 HydrophobicContact CG1-CD1 3.82Å; L372-L376 HydrophobicContact CD1-CD1 3.94Å; L372-L376 HydrophobicContact CD1-CG 4.03Å; L372-L376 HydrophobicContact CD2-CD1 4.41Å; L372-L376 HydrophobicContact CG-CD1 3.8Å; L372-L376 HydrophobicContact CG-CG 4.28Å; L372-L376 WeakPolarHBondContact O-CB 3.41Å; L372-L376 WeakPolarHBondContact O-CG 3.06Å; L372-L376 PolarHBondContact O-N 3.19Å; L376-S383 WeakPolarHBondContact CA-OG 3.41Å; L376-S383 PolarHBondContact O-OG 2.95Å; L376-L386 HydrophobicContact CD2-CD1 4.07Å; L376-R387 PolarHBondContact O-NH2 2.67Å |
| 377 | R | 75 | Confident | 75.3 | Confident | 168 Ų | 168 | 56.6 Ų | 56.6 | 63% | 0.634 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -85.2 | -16 | 176.8 | -173.8 | 172.6 | 68.7 | -179.2 | 2.2 | 113.7 | Q373 N374 F375 R379 | Q373-R377 WeakPolarHBondContact O-CB 3.17Å; Q373-R377 PolarHBondContact O-N 2.81Å; N374-R377 PolarHBondContact O-N 3.13Å; N374-R377 PolarHBondContact OD1-NH2 2.84Å; F375-R377 VanDerWaalsContact C-N 3.29Å; F375-R377 PolarHBondContact O-N 2.87Å; R377-R379 PolarHBondContact O-N 3.46Å |
| 378 | N | 68.4 | Low | 73.7 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | trans | -61.4 | 125.4 | -170.9 | -164.3 | -12.8 | 0 | 0 | 0 | 112.5 | N374 F375 S380 | N374-N378 PolarHBondContact O-N 3.42Å; F375-N378 WeakPolarHBondContact O-CB 3.24Å; F375-N378 PolarHBondContact O-N 2.89Å; N378-S380 PolarHBondContact ND2-OG 3.37Å; N378-S380 PolarHBondContact O-N 2.94Å; N378-S380 PolarHBondContact OD1-N 3.44Å; N378-S380 PolarHBondContact OD1-OG 2.94Å | ||
| 379 | R | 51.2 | Low | 71.9 | Confident | 252 Ų | 252 | 66.2 Ų | 66.2 | 95% | 0.951 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.2 | -177.8 | -68 | -174.9 | -177.9 | 174.3 | 1.6 | 113.9 | R377 G381 | R377-R379 PolarHBondContact O-N 3.46Å; R379-G381 PolarHBondContact O-N 2.92Å |
| 380 | S | 53.3 | Low | 69.6 | Low | 81 Ų | 81 | 69.1 Ų | 69.1 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.8 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | N378 A382 | N378-S380 PolarHBondContact ND2-OG 3.37Å; N378-S380 PolarHBondContact O-N 2.94Å; N378-S380 PolarHBondContact OD1-N 3.44Å; N378-S380 PolarHBondContact OD1-OG 2.94Å; S380-A382 VanDerWaalsContact C-N 3.27Å; S380-A382 PolarHBondContact O-N 3.31Å; S380-A382 PolarHBondContact OG-N 3.3Å |
| 381 | G | 57.4 | Low | 67.2 | Low | 26 Ų | 26 | 72 Ų | 72 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 78.7 | 6.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R379 S383 M384 | R379-G381 PolarHBondContact O-N 2.92Å; G381-S383 PolarHBondContact O-N 3.04Å; G381-S383 VanDerWaalsContact O-N 3.12Å; G381-M384 WeakPolarHBondContact O-CB 3.4Å; G381-M384 PolarHBondContact O-N 2.96Å |
| 382 | A | 62.6 | Low | 64.8 | Low | 34 Ų | 34 | 74.3 Ų | 74.3 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C303 F375 S380 | C303-A382 VanDerWaalsContact CB-O 3.24Å; C303-A382 WeakPolarHBondContact CB-O 3.48Å; C303-A382 PolarHBondContact SG-O 3.05Å; F375-A382 HydrophobicContact CE2-CB 4.1Å; S380-A382 VanDerWaalsContact C-N 3.27Å; S380-A382 PolarHBondContact O-N 3.31Å; S380-A382 PolarHBondContact OG-N 3.3Å |
| 383 | S | 70.2 | Confident | 62.3 | Low | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 18 | 176.7 | 50 | 0 | 0 | 0 | 0 | 113.5 | F375 L376 G381 | F375-S383 PolarHBondContact O-OG 3.25Å; L376-S383 WeakPolarHBondContact CA-OG 3.41Å; L376-S383 PolarHBondContact O-OG 2.95Å; G381-S383 PolarHBondContact O-N 3.04Å; G381-S383 VanDerWaalsContact O-N 3.12Å |
| 384 | M | 71.3 | Confident | 59.7 | Low | 123 Ų | 123 | 79.5 Ų | 79.5 | 61% | 0.606 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -70.6 | -32 | -173.1 | -171.8 | 175.6 | -69.4 | 0 | 0 | 113.6 | G381 L386 R387 | G381-M384 WeakPolarHBondContact O-CB 3.4Å; G381-M384 PolarHBondContact O-N 2.96Å; M384-L386 VanDerWaalsContact C-N 3.33Å; M384-L386 PolarHBondContact O-N 3.01Å; M384-R387 WeakPolarHBondContact O-CB 3.4Å; M384-R387 PolarHBondContact O-N 2.83Å |
| 385 | C | 72.3 | Confident | 57 | Low | 13 Ų | 13 | 79.5 Ų | 79.5 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -61.5 | -42.7 | 177.8 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | D270 C303 R387 Y388 | D270-C385 VanDerWaalsContact OD1-CB 3.22Å; D270-C385 WeakPolarHBondContact OD1-CB 3Å; D270-C385 PolarHBondContact OD1-SG 3.31Å; C303-C385 WeakPolarHBondContact CA-SG 3.5Å; C303-C385 HydrophobicContact CB-CB 3.75Å; C303-C385 WeakPolarHBondContact CB-SG 3.42Å; C303-C385 WeakPolarHBondContact SG-CB 3.44Å; C303-C385 PolarHBondContact SG-N 3.1Å; C303-C385 CovalentContact SG-SG 2.02Å; C303-C385 PolarHBondContact SG-SG 2.99Å; C385-R387 PolarHBondContact O-N 3.28Å; C385-Y388 PolarHBondContact O-N 3.25Å |
| 386 | L | 74.3 | Confident | 54.2 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -62.7 | -6.4 | -179.4 | -46.3 | -177.2 | 0 | 0 | 0 | 115 | Y165 T166 L167 D270 F375 L376 M384 | Y165-L386 HydrophobicContact CD1-CB 4.35Å; T166-L386 PolarHBondContact N-O 3.39Å; T166-L386 VanDerWaalsContact O-CA 3.27Å; T166-L386 WeakPolarHBondContact O-CA 2.98Å; T166-L386 WeakPolarHBondContact O-CD2 2.99Å; L167-L386 HydrophobicContact CB-CD2 4.35Å; L167-L386 HydrophobicContact CD1-CD2 3.31Å; L167-L386 HydrophobicContact CG-CD2 4.42Å; D270-L386 HydrophobicContact CB-CD2 4.11Å; F375-L386 HydrophobicContact CE1-CD1 4.13Å; L376-L386 HydrophobicContact CD2-CD1 4.07Å; M384-L386 VanDerWaalsContact C-N 3.33Å; M384-L386 PolarHBondContact O-N 3.01Å |
| 387 | R | 67.1 | Low | 51.7 | Low | 147 Ų | 147 | 85 Ų | 85 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -106.1 | -13.6 | -178.3 | -62.8 | 177.2 | 174.8 | -150.8 | -0.7 | 113.5 | Y165 L376 M384 C385 | Y165-R387 HydrophobicContact CD1-CG 4.1Å; Y165-R387 HydrophobicContact CE1-CG 3.82Å; L376-R387 PolarHBondContact O-NH2 2.67Å; M384-R387 WeakPolarHBondContact O-CB 3.4Å; M384-R387 PolarHBondContact O-N 2.83Å; C385-R387 PolarHBondContact O-N 3.28Å |
| 388 | Y | 55.4 | Low | 49.3 | Very low | 161 Ų | 161 | 82.6 Ų | 82.6 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | trans | -122.7 | 89.3 | -174.6 | -169.2 | -90 | 0 | 0 | 0 | 110.7 | C385 | C385-Y388 PolarHBondContact O-N 3.25Š| ||
| 389 | T | 50.1 | Low | 47.5 | Very low | 56 Ų | 56 | 82 Ų | 82 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | trans | -94.9 | 127.7 | 170 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | T166 P391 | T166-T389 HydrophobicContact CG2-CG2 3.84Å; T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.47Å | ||
| 390 | D | 39.7 | Very low | 46.4 | Very low | 72 Ų | 72 | 72.5 Ų | 72.5 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -55.6 | 114.1 | 174.5 | 176.9 | 0.6 | 0 | 0 | 0 | 111 | S392 R393 | D390-S392 PolarHBondContact O-N 3.01Å; D390-S392 VanDerWaalsContact OD1-CB 3.31Å; D390-S392 WeakPolarHBondContact OD1-CB 3.18Å; D390-S392 PolarHBondContact OD1-N 3.28Å; D390-S392 PolarHBondContact OD1-OG 3.2Å; D390-S392 PolarHBondContact OD2-OG 3Å; D390-S392 VanDerWaalsContact OD2-OG 3.06Å; D390-R393 IonicContact OD2-NE 2.87Å; D390-R393 PolarHBondContact OD2-NE 3.46Å; D390-R393 VanDerWaalsContact OD2-NE 3.09Å | ||
| 391 | P | 35.2 | Very low | 45.6 | Very low | 115 Ų | 115 | 74.3 Ų | 74.3 | 75% | 0.747 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14.7 | -177.8 | -19.8 | 33.4 | 0 | 0 | 0 | 114.4 | T389 R393 | T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-R393 PolarHBondContact O-N 2.86Å |
| 392 | S | 35 | Very low | 44.6 | Very low | 73 Ų | 73 | 77.7 Ų | 77.7 | 51% | 0.51 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6.4 | -173.7 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | D390 P394 | D390-S392 PolarHBondContact O-N 3.01Å; D390-S392 VanDerWaalsContact OD1-CB 3.31Å; D390-S392 WeakPolarHBondContact OD1-CB 3.18Å; D390-S392 PolarHBondContact OD1-N 3.28Å; D390-S392 PolarHBondContact OD1-OG 3.2Å; D390-S392 PolarHBondContact OD2-OG 3Å; D390-S392 VanDerWaalsContact OD2-OG 3.06Å; S392-P394 WeakPolarHBondContact O-CD 3.35Å |
| 393 | R | 35.3 | Very low | 43.8 | Very low | 136 Ų | 136 | 78.8 Ų | 78.8 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | trans | -124.5 | 71.2 | -168.7 | -57.1 | -171 | -162.1 | -132.2 | 2.6 | 114.7 | R35 D36 D390 P391 | R35-R393 HydrophobicContact CB-CB 3.79Å; D36-R393 WeakPolarHBondContact OD2-CD 3.44Å; D36-R393 IonicContact OD2-CZ 3.6Å; D36-R393 IonicContact OD2-NE 2.68Å; D36-R393 IonicContact OD2-NH1 2.99Å; D36-R393 PolarHBondContact OD2-NH1 2.85Å; D390-R393 IonicContact OD2-NE 2.87Å; D390-R393 PolarHBondContact OD2-NE 3.46Å; D390-R393 VanDerWaalsContact OD2-NE 3.09Å; P391-R393 PolarHBondContact O-N 2.86Å | ||
| 394 | P | 31.1 | Very low | 42.7 | Very low | 43 Ų | 43 | 80.3 Ų | 80.3 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | trans | -69.2 | 143.3 | 169.6 | 29.6 | -36.1 | 0 | 0 | 0 | 111.8 | R35 S392 | R35-P394 WeakPolarHBondContact CB-O 3.47Å; R35-P394 WeakPolarHBondContact CD-O 3.02Å; R35-P394 WeakPolarHBondContact CG-O 3.45Å; R35-P394 PolarHBondContact NE-O 3.3Å; S392-P394 WeakPolarHBondContact O-CD 3.35Å | ||
| 395 | Y | 28.1 | Very low | 42 | Very low | 63 Ų | 63 | 74.7 Ų | 74.7 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -175.9 | 165.2 | 140.4 | -77.8 | -15.2 | 0 | 0 | 0 | 112.7 | R30 I32 L33 R35 M55 | R30-Y395 CarbonylContact C-O 3.42Å; R30-Y395 CarbonylContact O-C 3.53Å; I32-Y395 PolarHBondContact N-O 2.84Å; L33-Y395 CarbonylContact O-C 3.24Å; L33-Y395 VanDerWaalsContact O-C 3.28Å; R35-Y395 HydrophobicContact CB-CD2 4.15Å; R35-Y395 HydrophobicContact CB-CE2 4.47Å; R35-Y395 HydrophobicContact CB-CG 4.49Å; R35-Y395 HydrophobicContact CG-CD1 4.49Å; R35-Y395 HydrophobicContact CG-CD2 3.55Å; R35-Y395 HydrophobicContact CG-CE1 4.39Å; R35-Y395 HydrophobicContact CG-CE2 3.42Å; R35-Y395 VanDerWaalsContact CG-CE2 3.42Å; R35-Y395 HydrophobicContact CG-CG 4.06Å; R35-Y395 PolarHBondContact NE-OH 2.99Å; R35-Y395 PolarHBondContact NH2-OH 3.03Å; M55-Y395 HydrophobicContact CB-CE1 4.48Å; M55-Y395 HydrophobicContact CE-CD1 3.18Å; M55-Y395 HydrophobicContact CE-CE1 3.35Å; M55-Y395 HydrophobicContact CE-CG 3.89Å; M55-Y395 HydrophobicContact CG-CD1 3.96Å; M55-Y395 HydrophobicContact CG-CD2 3.62Å; M55-Y395 HydrophobicContact CG-CE1 3.74Å; M55-Y395 HydrophobicContact CG-CE2 3.37Å; M55-Y395 HydrophobicContact CG-CG 3.97Å; M55-Y395 VanDerWaalsContact CG-CZ 3.46Å; M55-Y395 HydrophobicContact SD-CD1 3.34Å; M55-Y395 WeakPolarHBondContact SD-CD1 3.19Å; M55-Y395 HydrophobicContact SD-CD2 3.6Å; M55-Y395 HydrophobicContact SD-CE1 3.73Å; M55-Y395 HydrophobicContact SD-CE2 3.96Å; M55-Y395 HydrophobicContact SD-CG 3.34Å |
| 396 | R | 24.8 | Very low | 41.2 | Very low | 56 Ų | 56 | 77.3 Ų | 77.3 | 21% | 0.211 | 39% | 0.393 | C | S | . | . | trans | -136.9 | 145.1 | 163.6 | -113.2 | 178.2 | -169.6 | 157.3 | -1.5 | 108.1 | D29 K31 I32 | D29-R396 IonicContact OD1-NH1 2.69Å; D29-R396 PolarHBondContact OD1-NH1 2.9Å; K31-R396 VanDerWaalsContact C-CZ 3.45Å; K31-R396 VanDerWaalsContact N-CG 3.28Å; K31-R396 PolarHBondContact O-NE 3.21Å; K31-R396 PolarHBondContact O-NH2 3.26Å; I32-R396 HydrophobicContact CB-CG 3.73Å | ||
| 397 | M | 27.4 | Very low | 40 | Very low | 78 Ų | 78 | 81.9 Ų | 81.9 | 38% | 0.384 | 42% | 0.415 | S | S | . | . | trans | -109.4 | 169 | 145 | -69.3 | -143.7 | -44 | 0 | 0 | 110.3 | L33 L53 | L33-M397 HydrophobicContact CD1-CB 3.64Å; L33-M397 HydrophobicContact CD1-CE 4.13Å; L33-M397 HydrophobicContact CD1-CG 3.89Å; L33-M397 HydrophobicContact CG-CB 4.19Å; L53-M397 HydrophobicContact CB-SD 3.99Å; L53-M397 HydrophobicContact CD1-CE 3.43Å; L53-M397 VanDerWaalsContact CD1-CE 3.43Å; L53-M397 HydrophobicContact CD1-SD 3.75Å; L53-M397 HydrophobicContact CD2-CE 3.97Å; L53-M397 HydrophobicContact CD2-SD 3.7Å; L53-M397 HydrophobicContact CG-CE 4.22Å; L53-M397 HydrophobicContact CG-SD 4Å | ||
| 398 | H | 26 | Very low | 39.3 | Very low | 117 Ų | 117 | 75.9 Ų | 75.9 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | trans | -112.3 | 136.5 | -175.1 | -150.9 | 63.3 | 0 | 0 | 0 | 108.8 | F60 | F60-H398 AromaticContact CE1-CE1 3.67Å; F60-H398 AromaticContact CE1-NE2 3.61Å; F60-H398 AromaticContact CZ-CD2 3.68Å; F60-H398 AromaticContact CZ-CE1 3.61Å; F60-H398 AromaticContact CZ-CG 3.93Å; F60-H398 AromaticContact CZ-ND1 3.88Å; F60-H398 AromaticContact CZ-NE2 3.47Å; F60-H398 WeakPolarHBondContact CZ-NE2 3.11Å | ||
| 399 | L | 29.2 | Very low | 40 | Very low | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | trans | -91.2 | 150.1 | 157.6 | -123.9 | 77.1 | 0 | 0 | 0 | 108.3 | T192 N195 | T192-L399 HydrophobicContact CG2-CD2 4.41Å; N195-L399 HydrophobicContact CB-CD2 3.96Å | ||
| 400 | S | 29.2 | Very low | 41.1 | Very low | 51 Ų | 51 | 68.4 Ų | 68.4 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | trans | -60.4 | 146 | -177 | 167.3 | 0 | 0 | 0 | 0 | 112.8 | K402 H407 | S400-K402 PolarHBondContact O-N 2.79Å; S400-K402 WeakPolarHBondContact OG-CG 3.37Å; S400-K402 PolarHBondContact OG-N 2.81Å; S400-H407 WeakPolarHBondContact CB-CE1 3.5Å; S400-H407 WeakPolarHBondContact CB-NE2 3.22Å; S400-H407 PolarHBondContact OG-CE1 2.9Å; S400-H407 PolarHBondContact OG-NE2 3.29Å | ||
| 401 | S | 35.8 | Very low | 42.5 | Very low | 120 Ų | 120 | 67.9 Ų | 67.9 | 84% | 0.839 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -74.5 | -0.3 | 173.7 | 54 | 0 | 0 | 0 | 0 | 114.8 | ||
| 402 | K | 36.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 66.6 Ų | 66.6 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -69.7 | 144.3 | 171.4 | -64.4 | -177.5 | 178.1 | -169.2 | 0 | 109.9 | S400 M406 H407 | S400-K402 PolarHBondContact O-N 2.79Å; S400-K402 WeakPolarHBondContact OG-CG 3.37Å; S400-K402 PolarHBondContact OG-N 2.81Å; K402-M406 HydrophobicContact CB-CB 4Å; K402-M406 HydrophobicContact CB-CE 4.41Å; K402-M406 HydrophobicContact CB-CG 4.47Å; K402-M406 HydrophobicContact CB-SD 3.82Å; K402-M406 HydrophobicContact CD-CB 4.42Å; K402-M406 HydrophobicContact CD-CE 4.29Å; K402-M406 HydrophobicContact CG-CE 4.23Å; K402-M406 HydrophobicContact CG-SD 4.26Å; K402-H407 WeakPolarHBondContact CB-NE2 3.47Å; K402-H407 PolarHBondContact O-NE2 2.79Å |
| 403 | L | 45.7 | Very low | 45.5 | Very low | 56 Ų | 56 | 63.2 Ų | 63.2 | 29% | 0.293 | 32% | 0.324 | S | S | . | . | trans | -64.2 | 150.1 | 176.8 | -60.7 | 166 | 0 | 0 | 0 | 110.1 | G405 M406 E455 | L403-G405 VanDerWaalsContact C-N 3.26Å; L403-G405 PolarHBondContact O-N 2.86Å; L403-G405 VanDerWaalsContact O-N 3.1Å; L403-M406 HydrophobicContact CB-CG 4.29Å; L403-M406 HydrophobicContact CB-SD 4.27Å; L403-M406 VanDerWaalsContact O-CB 3.28Å; L403-M406 WeakPolarHBondContact O-CB 3.2Å; L403-M406 PolarHBondContact O-N 2.87Å; L403-E455 CarbonylContact C-O 3.57Å; L403-E455 HydrophobicContact CB-CB 4.28Å; L403-E455 WeakPolarHBondContact CB-O 3.41Å; L403-E455 HydrophobicContact CD1-CB 4.25Å; L403-E455 HydrophobicContact CD2-CB 4.28Å | ||
| 404 | P | 48.2 | Very low | 47.2 | Very low | 33 Ų | 33 | 56.7 Ų | 56.7 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -57.8 | -30.5 | -170.1 | -28.9 | 37.4 | 0 | 0 | 0 | 115.6 | M406 H407 Y408 L454 | P404-M406 PolarHBondContact O-N 2.85Å; P404-H407 PolarHBondContact O-N 2.67Å; P404-H407 VanDerWaalsContact O-N 3.09Å; P404-Y408 PolarHBondContact O-N 2.81Å; P404-L454 HydrophobicContact CB-CB 4.13Å; P404-L454 HydrophobicContact CB-CD1 3.79Å; P404-L454 HydrophobicContact CB-CD2 3.93Å; P404-L454 HydrophobicContact CB-CG 4.16Å |
| 405 | G | 54.9 | Low | 49.1 | Very low | 6 Ų | 6 | 57.9 Ų | 57.9 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -76.1 | -6.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L403 H407 Y408 L454 E455 G456 T457 | L403-G405 VanDerWaalsContact C-N 3.26Å; L403-G405 PolarHBondContact O-N 2.86Å; L403-G405 VanDerWaalsContact O-N 3.1Å; G405-H407 VanDerWaalsContact C-N 3.33Å; G405-Y408 CarbonylContact C-O 3.34Å; G405-L454 VanDerWaalsContact CA-CB 3.48Å; G405-L454 VanDerWaalsContact N-CB 3.3Å; G405-E455 WeakPolarHBondContact CA-O 3.39Å; G405-E455 PolarHBondContact N-O 2.62Å; G405-G456 CarbonylContact C-O 3.45Å; G405-T457 WeakPolarHBondContact CA-OG1 3.38Å |
| 406 | M | 55.6 | Low | 50.8 | Low | 67 Ų | 67 | 55.1 Ų | 55.1 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -86 | -7.4 | 166.8 | -51.5 | 178.4 | 70.3 | 0 | 0 | 112.3 | K402 L403 P404 W464 | K402-M406 HydrophobicContact CB-CB 4Å; K402-M406 HydrophobicContact CB-CE 4.41Å; K402-M406 HydrophobicContact CB-CG 4.47Å; K402-M406 HydrophobicContact CB-SD 3.82Å; K402-M406 HydrophobicContact CD-CB 4.42Å; K402-M406 HydrophobicContact CD-CE 4.29Å; K402-M406 HydrophobicContact CG-CE 4.23Å; K402-M406 HydrophobicContact CG-SD 4.26Å; L403-M406 HydrophobicContact CB-CG 4.29Å; L403-M406 HydrophobicContact CB-SD 4.27Å; L403-M406 VanDerWaalsContact O-CB 3.28Å; L403-M406 WeakPolarHBondContact O-CB 3.2Å; L403-M406 PolarHBondContact O-N 2.87Å; P404-M406 PolarHBondContact O-N 2.85Å; M406-W464 HydrophobicContact CE-CH2 3.42Å; M406-W464 VanDerWaalsContact CE-CH2 3.42Å; M406-W464 HydrophobicContact CE-CZ2 3.77Å; M406-W464 HydrophobicContact CE-CZ3 3.96Å; M406-W464 HydrophobicContact SD-CH2 4.31Å; M406-W464 HydrophobicContact SD-CZ3 4.3Å |
| 407 | H | 49.3 | Very low | 52.6 | Low | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -17.3 | 173.8 | -70.7 | -75.1 | 0 | 0 | 0 | 113.2 | S400 K402 P404 G405 | S400-H407 WeakPolarHBondContact CB-CE1 3.5Å; S400-H407 WeakPolarHBondContact CB-NE2 3.22Å; S400-H407 PolarHBondContact OG-CE1 2.9Å; S400-H407 PolarHBondContact OG-NE2 3.29Å; K402-H407 WeakPolarHBondContact CB-NE2 3.47Å; K402-H407 PolarHBondContact O-NE2 2.79Å; P404-H407 PolarHBondContact O-N 2.67Å; P404-H407 VanDerWaalsContact O-N 3.09Å; G405-H407 VanDerWaalsContact C-N 3.33Å |
| 408 | Y | 53.4 | Low | 54.6 | Low | 21 Ų | 21 | 51.7 Ų | 51.7 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -136.1 | 113.2 | 178.8 | -62.1 | -78.6 | 0 | 0 | 0 | 108.6 | R188 F189 T192 P404 G405 E412 Q413 I416 L454 | R188-Y408 PolarHBondContact O-OH 2.83Å; F189-Y408 WeakPolarHBondContact CA-OH 3.48Å; F189-Y408 PolarHBondContact N-OH 2.88Å; F189-Y408 VanDerWaalsContact N-OH 3.14Å; T192-Y408 HydrophobicContact CG2-CE2 4.34Å; P404-Y408 PolarHBondContact O-N 2.81Å; G405-Y408 CarbonylContact C-O 3.34Å; Y408-E412 WeakPolarHBondContact CA-OE2 3.29Å; Y408-Q413 PolarHBondContact O-NE2 3.27Å; Y408-I416 HydrophobicContact CD1-CD1 3.88Å; Y408-I416 HydrophobicContact CE1-CD1 4.2Å; Y408-L454 HydrophobicContact CD2-CD1 4.11Å |
| 409 | S | 68.8 | Low | 56.1 | Low | 48 Ų | 48 | 46.5 Ų | 46.5 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | trans | -64.6 | 170.4 | 177.3 | 80.4 | 0 | 0 | 0 | 0 | 112.2 | D411 E412 Q413 | S409-D411 VanDerWaalsContact C-N 3.28Å; S409-D411 PolarHBondContact O-N 3.46Å; S409-D411 PolarHBondContact OG-N 3.37Å; S409-E412 PolarHBondContact N-OE2 3.35Å; S409-E412 PolarHBondContact O-N 2.77Å; S409-E412 WeakPolarHBondContact OG-CG 3.35Å; S409-E412 PolarHBondContact OG-N 3.41Å; S409-E412 VanDerWaalsContact OG-N 3.1Å; S409-Q413 WeakPolarHBondContact O-CB 3.03Å; S409-Q413 VanDerWaalsContact O-CG 3.29Å; S409-Q413 WeakPolarHBondContact O-CG 3Å; S409-Q413 PolarHBondContact O-N 2.02Å; S409-Q413 PolarHBondContact O-NE2 3.2Å | ||
| 410 | A | 73.1 | Confident | 57.6 | Low | 11 Ų | 11 | 49 Ų | 49 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q413 C414 M432 L436 T457 | A410-Q413 PolarHBondContact O-N 2.79Å; A410-C414 PolarHBondContact O-N 3.29Å; A410-C414 PolarHBondContact O-SG 3.2Å; A410-M432 HydrophobicContact CB-CE 3.21Å; A410-L436 HydrophobicContact CB-CD1 4.36Å; A410-T457 HydrophobicContact CB-CG2 3.88Å |
| 411 | D | 70.4 | Confident | 59.5 | Low | 62 Ų | 62 | 51.6 Ų | 51.6 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.2 | -64.2 | -37.2 | 0 | 0 | 0 | 111.5 | S409 Q413 C414 Q415 S424 | S409-D411 VanDerWaalsContact C-N 3.28Å; S409-D411 PolarHBondContact O-N 3.46Å; S409-D411 PolarHBondContact OG-N 3.37Å; D411-Q413 VanDerWaalsContact C-N 3.32Å; D411-Q413 PolarHBondContact O-N 3.4Å; D411-C414 CarbonylContact O-C 3.54Å; D411-C414 WeakPolarHBondContact O-CB 3.3Å; D411-C414 PolarHBondContact O-N 2.93Å; D411-C414 VanDerWaalsContact O-N 3.15Å; D411-Q415 VanDerWaalsContact O-CG 3.26Å; D411-Q415 WeakPolarHBondContact O-CG 3.41Å; D411-Q415 PolarHBondContact O-N 3.48Å; D411-S424 VanDerWaalsContact OD1-CB 3.29Å; D411-S424 WeakPolarHBondContact OD1-CB 3.46Å; D411-S424 PolarHBondContact OD1-N 3.21Å; D411-S424 PolarHBondContact OD1-OG 2.05Å |
| 412 | E | 64.1 | Low | 61.3 | Low | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 177.8 | -69.2 | 172.7 | 143.4 | 0 | 0 | 111.4 | Y408 S409 Q415 I416 | Y408-E412 WeakPolarHBondContact CA-OE2 3.29Å; S409-E412 PolarHBondContact N-OE2 3.35Å; S409-E412 PolarHBondContact O-N 2.77Å; S409-E412 WeakPolarHBondContact OG-CG 3.35Å; S409-E412 PolarHBondContact OG-N 3.41Å; S409-E412 VanDerWaalsContact OG-N 3.1Å; E412-Q415 PolarHBondContact O-N 2.81Å; E412-I416 WeakPolarHBondContact O-CD1 3.42Å; E412-I416 VanDerWaalsContact O-CG1 3.25Å; E412-I416 WeakPolarHBondContact O-CG1 3.39Å; E412-I416 PolarHBondContact O-N 2.96Å |
| 413 | Q | 68.6 | Low | 63.4 | Low | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 172.6 | -70.5 | 173 | 61.9 | 0 | 0 | 112 | L317 Y408 S409 A410 D411 I416 L417 L436 L454 T457 | L317-Q413 HydrophobicContact CD1-CG 4.25Å; Y408-Q413 PolarHBondContact O-NE2 3.27Å; S409-Q413 WeakPolarHBondContact O-CB 3.03Å; S409-Q413 VanDerWaalsContact O-CG 3.29Å; S409-Q413 WeakPolarHBondContact O-CG 3Å; S409-Q413 PolarHBondContact O-N 2.02Å; S409-Q413 PolarHBondContact O-NE2 3.2Å; A410-Q413 PolarHBondContact O-N 2.79Å; D411-Q413 VanDerWaalsContact C-N 3.32Å; D411-Q413 PolarHBondContact O-N 3.4Å; Q413-I416 PolarHBondContact O-N 2.82Å; Q413-L417 WeakPolarHBondContact O-CB 3.44Å; Q413-L417 WeakPolarHBondContact O-CG 3.46Å; Q413-L417 PolarHBondContact O-N 2.89Å; Q413-L436 HydrophobicContact CB-CD2 3.42Å; Q413-L436 VanDerWaalsContact CB-CD2 3.42Å; Q413-L454 HydrophobicContact CG-CD1 4.18Å; Q413-T457 PolarHBondContact NE2-OG1 3.13Å |
| 414 | C | 71.1 | Confident | 65.1 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 170.1 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | A410 D411 I416 L417 F418 S422 C438 | A410-C414 PolarHBondContact O-N 3.29Å; A410-C414 PolarHBondContact O-SG 3.2Å; D411-C414 CarbonylContact O-C 3.54Å; D411-C414 WeakPolarHBondContact O-CB 3.3Å; D411-C414 PolarHBondContact O-N 2.93Å; D411-C414 VanDerWaalsContact O-N 3.15Å; C414-I416 VanDerWaalsContact C-N 3.3Å; C414-I416 PolarHBondContact O-N 2.97Å; C414-L417 PolarHBondContact O-N 2.91Å; C414-L417 VanDerWaalsContact O-N 3.09Å; C414-F418 PolarHBondContact O-N 3Å; C414-S422 VanDerWaalsContact C-OG 3.27Å; C414-S422 PolarHBondContact O-OG 2.86Å; C414-C438 WeakPolarHBondContact CA-SG 3.07Å; C414-C438 HydrophobicContact CB-CB 3.7Å; C414-C438 WeakPolarHBondContact CB-SG 3.48Å; C414-C438 VanDerWaalsContact SG-CA 3.58Å; C414-C438 WeakPolarHBondContact SG-CB 2.91Å; C414-C438 CovalentContact SG-SG 2.03Å; C414-C438 PolarHBondContact SG-SG 3.25Å |
| 415 | Q | 71.6 | Confident | 66.6 | Low | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 177.3 | -68.9 | 165.8 | 16.1 | 0 | 0 | 112.6 | D411 E412 G419 S422 | D411-Q415 VanDerWaalsContact O-CG 3.26Å; D411-Q415 WeakPolarHBondContact O-CG 3.41Å; D411-Q415 PolarHBondContact O-N 3.48Å; E412-Q415 PolarHBondContact O-N 2.81Å; Q415-G419 WeakPolarHBondContact CA-O 3.48Å; Q415-G419 CarbonylContact O-C 3.5Å; Q415-G419 VanDerWaalsContact O-C 3.27Å; Q415-G419 WeakPolarHBondContact O-CA 3.44Å; Q415-G419 PolarHBondContact O-N 3.37Å; Q415-S422 WeakPolarHBondContact CG-O 3.36Å |
| 416 | I | 63 | Low | 67.2 | Low | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 173.7 | -72.5 | 163.8 | 0 | 0 | 0 | 111.6 | F189 R277 Y408 E412 Q413 C414 | F189-I416 HydrophobicContact CD2-CD1 4.43Å; F189-I416 HydrophobicContact CD2-CG2 4.46Å; F189-I416 HydrophobicContact CE2-CG2 3.94Å; F189-I416 HydrophobicContact CZ-CG2 4.45Å; R277-I416 PolarHBondContact NH1-O 3.3Å; Y408-I416 HydrophobicContact CD1-CD1 3.88Å; Y408-I416 HydrophobicContact CE1-CD1 4.2Å; E412-I416 WeakPolarHBondContact O-CD1 3.42Å; E412-I416 VanDerWaalsContact O-CG1 3.25Å; E412-I416 WeakPolarHBondContact O-CG1 3.39Å; E412-I416 PolarHBondContact O-N 2.96Å; Q413-I416 PolarHBondContact O-N 2.82Å; C414-I416 VanDerWaalsContact C-N 3.3Å; C414-I416 PolarHBondContact O-N 2.97Å |
| 417 | L | 63.1 | Low | 67.6 | Low | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -83.8 | -35.7 | -175.1 | -72 | 175.9 | 0 | 0 | 0 | 114.7 | Q413 C414 L436 K449 | Q413-L417 WeakPolarHBondContact O-CB 3.44Å; Q413-L417 WeakPolarHBondContact O-CG 3.46Å; Q413-L417 PolarHBondContact O-N 2.89Å; C414-L417 PolarHBondContact O-N 2.91Å; C414-L417 VanDerWaalsContact O-N 3.09Å; L417-L436 HydrophobicContact CD1-CD2 3.9Å; L417-K449 HydrophobicContact CD2-CD 4.4Å; L417-K449 PolarHBondContact O-NZ 3.05Å |
| 418 | F | 68.4 | Low | 68.2 | Low | 50 Ų | 50 | 47.8 Ų | 47.8 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -30.2 | -172.1 | -64.4 | -82.3 | 0 | 0 | 0 | 113.6 | Y180 C414 C438 V440 K447 K449 | Y180-F418 PolarHBondContact OH-O 2.77Å; C414-F418 PolarHBondContact O-N 3Å; F418-C438 HydrophobicContact CD2-CB 3.58Å; F418-C438 VanDerWaalsContact CD2-SG 3.56Å; F418-C438 HydrophobicContact CE2-CB 3.81Å; F418-C438 HydrophobicContact CG-CB 4.42Å; F418-V440 HydrophobicContact CB-CG2 3.82Å; F418-V440 HydrophobicContact CD1-CG2 4.14Å; F418-V440 HydrophobicContact CG-CG2 4.06Å; F418-K447 HydrophobicContact CE1-CB 4.25Å; F418-K447 HydrophobicContact CZ-CB 4.38Å; F418-K449 HydrophobicContact CE1-CD 4.45Å; F418-K449 HydrophobicContact CE1-CG 4.29Å; F418-K449 HydrophobicContact CZ-CD 4.16Å; F418-K449 HydrophobicContact CZ-CG 3.86Å |
| 419 | G | 58.5 | Low | 68.5 | Low | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | trans | 139 | 166.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y180 Q415 N421 S422 | Y180-G419 VanDerWaalsContact CZ-CA 3.5Å; Y180-G419 WeakPolarHBondContact OH-CA 3.47Å; Y180-G419 PolarHBondContact OH-N 2.96Å; Q415-G419 WeakPolarHBondContact CA-O 3.48Å; Q415-G419 CarbonylContact O-C 3.5Å; Q415-G419 VanDerWaalsContact O-C 3.27Å; Q415-G419 WeakPolarHBondContact O-CA 3.44Å; Q415-G419 PolarHBondContact O-N 3.37Å; G419-N421 PolarHBondContact O-N 2.85Å; G419-S422 PolarHBondContact N-OG 3.13Å; G419-S422 WeakPolarHBondContact O-CB 3.2Å; G419-S422 PolarHBondContact O-N 2.93Å; G419-S422 PolarHBondContact O-OG 3.07Å | ||
| 420 | I | 60.9 | Low | 68.1 | Low | 123 Ų | 123 | 58.6 Ų | 58.6 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -21.8 | -174.5 | 61.2 | 169.7 | 0 | 0 | 0 | 116.2 | ||
| 421 | N | 67.9 | Low | 67.7 | Low | 106 Ų | 106 | 62.5 Ų | 62.5 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 26.5 | 178.5 | -70.1 | -6.1 | 0 | 0 | 0 | 113.3 | G419 N441 | G419-N421 PolarHBondContact O-N 2.85Å; N421-N441 HydrophobicContact CB-CB 4.37Å |
| 422 | S | 73.6 | Confident | 67.5 | Low | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.9 | 176.3 | 60 | 0 | 0 | 0 | 0 | 111.1 | C414 Q415 G419 L439 | C414-S422 VanDerWaalsContact C-OG 3.27Å; C414-S422 PolarHBondContact O-OG 2.86Å; Q415-S422 WeakPolarHBondContact CG-O 3.36Å; G419-S422 PolarHBondContact N-OG 3.13Å; G419-S422 WeakPolarHBondContact O-CB 3.2Å; G419-S422 PolarHBondContact O-N 2.93Å; G419-S422 PolarHBondContact O-OG 3.07Å; S422-L439 WeakPolarHBondContact CA-O 3.33Å; S422-L439 WeakPolarHBondContact CB-O 3.34Å |
| 423 | T | 80.6 | Confident | 67.9 | Low | 64 Ų | 64 | 56.8 Ų | 56.8 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 164.9 | -177.4 | 57.7 | 0 | 0 | 0 | 0 | 109.1 | C438 L439 | T423-C438 CarbonylContact O-C 3.51Å; T423-C438 WeakPolarHBondContact O-CA 3.4Å; T423-L439 PolarHBondContact N-O 2.71Å; T423-L439 PolarHBondContact O-N 3.08Å |
| 424 | S | 81.2 | Confident | 67.9 | Low | 34 Ų | 34 | 59.8 Ų | 59.8 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 150.3 | 170 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | D411 | D411-S424 VanDerWaalsContact OD1-CB 3.29Å; D411-S424 WeakPolarHBondContact OD1-CB 3.46Å; D411-S424 PolarHBondContact OD1-N 3.21Å; D411-S424 PolarHBondContact OD1-OG 2.05Å |
| 425 | C | 79.8 | Confident | 67.9 | Low | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | trans | -90.4 | 116.4 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | D427 W437 C446 | C425-D427 PolarHBondContact O-N 3.28Å; C425-W437 HydrophobicContact CB-CB 3.83Å; C425-W437 WeakPolarHBondContact CB-O 3.48Å; C425-W437 PolarHBondContact N-O 2.66Å; C425-C446 HydrophobicContact CB-CB 3.65Å; C425-C446 WeakPolarHBondContact CB-SG 3.42Å; C425-C446 WeakPolarHBondContact SG-CB 3.37Å; C425-C446 CovalentContact SG-SG 2.03Å; C425-C446 PolarHBondContact SG-SG 3.33Å | ||
| 426 | P | 67.5 | Low | 68.2 | Low | 91 Ų | 91 | 57 Ų | 57 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -69.8 | -31.3 | -177.2 | 27.4 | -34.3 | 0 | 0 | 0 | 113.1 | M428 | P426-M428 PolarHBondContact O-N 3.18Å; P426-M428 VanDerWaalsContact O-N 3.07Å |
| 427 | D | 64.4 | Low | 69.1 | Low | 145 Ų | 145 | 59.9 Ų | 59.9 | 78% | 0.775 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -72 | -3.9 | -175.3 | -58.6 | -45.2 | 0 | 0 | 0 | 114.3 | C425 | C425-D427 PolarHBondContact O-N 3.28Š|
| 428 | M | 61.6 | Low | 70 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -122 | 17.7 | -171.2 | -66.7 | -67 | -76 | 0 | 0 | 114.3 | P426 H430 L431 M432 W437 | P426-M428 PolarHBondContact O-N 3.18Å; P426-M428 VanDerWaalsContact O-N 3.07Å; M428-H430 VanDerWaalsContact C-N 3.27Å; M428-H430 PolarHBondContact O-N 2.89Å; M428-H430 VanDerWaalsContact O-N 3.14Å; M428-L431 HydrophobicContact CE-CB 4.48Å; M428-L431 HydrophobicContact CE-CD1 3.8Å; M428-L431 PolarHBondContact O-N 2.03Å; M428-M432 PolarHBondContact O-N 3.13Å; M428-W437 HydrophobicContact CB-CB 4.08Å; M428-W437 HydrophobicContact CB-CG 3.92Å; M428-W437 HydrophobicContact CE-CD2 3.77Å; M428-W437 VanDerWaalsContact CE-CE2 3.45Å; M428-W437 HydrophobicContact CE-CE3 4.17Å; M428-W437 HydrophobicContact CE-CG 4.31Å; M428-W437 HydrophobicContact CE-CH2 4.03Å; M428-W437 HydrophobicContact CE-CZ2 3.62Å; M428-W437 HydrophobicContact CE-CZ3 4.28Å; M428-W437 HydrophobicContact CG-CB 4.42Å; M428-W437 HydrophobicContact CG-CD2 4.36Å; M428-W437 HydrophobicContact CG-CG 4.19Å |
| 429 | E | 59.3 | Low | 70.8 | Confident | 108 Ų | 108 | 59.9 Ų | 59.9 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -48.2 | -42.8 | -178.5 | -77.5 | -176.5 | 175.6 | 0 | 0 | 114 | L431 M432 | E429-L431 PolarHBondContact O-N 2.92Å; E429-L431 VanDerWaalsContact O-N 3.16Å; E429-M432 WeakPolarHBondContact O-CB 3.38Å; E429-M432 PolarHBondContact O-N 3.39Å; E429-M432 VanDerWaalsContact O-N 3.13Å |
| 430 | H | 61 | Low | 71.7 | Confident | 187 Ų | 187 | 61.3 Ų | 61.3 | 87% | 0.866 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.8 | -176.8 | -55.1 | -31.8 | 0 | 0 | 0 | 114.4 | M428 | M428-H430 VanDerWaalsContact C-N 3.27Å; M428-H430 PolarHBondContact O-N 2.89Å; M428-H430 VanDerWaalsContact O-N 3.14Å |
| 431 | L | 64.3 | Low | 71.7 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -109.9 | -0 | 177.9 | -71.1 | 167.2 | 0 | 0 | 0 | 112.5 | M428 E429 C433 A434 G435 | M428-L431 HydrophobicContact CE-CB 4.48Å; M428-L431 HydrophobicContact CE-CD1 3.8Å; M428-L431 PolarHBondContact O-N 2.03Å; E429-L431 PolarHBondContact O-N 2.92Å; E429-L431 VanDerWaalsContact O-N 3.16Å; L431-C433 PolarHBondContact O-N 2.64Å; L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 3.23Å; L431-G435 PolarHBondContact O-N 2.85Å; L431-G435 VanDerWaalsContact O-N 3.11Å |
| 432 | M | 66.3 | Low | 71.4 | Confident | 24 Ų | 24 | 60 Ų | 60 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -44.6 | -173 | -175.9 | -176.4 | -172.7 | 0 | 0 | 113.2 | A410 M428 E429 A434 G435 P453 T457 E458 C459 | A410-M432 HydrophobicContact CB-CE 3.21Å; M428-M432 PolarHBondContact O-N 3.13Å; E429-M432 WeakPolarHBondContact O-CB 3.38Å; E429-M432 PolarHBondContact O-N 3.39Å; E429-M432 VanDerWaalsContact O-N 3.13Å; M432-A434 VanDerWaalsContact C-N 3.3Å; M432-A434 PolarHBondContact O-N 2.95Å; M432-G435 CarbonylContact C-O 3.35Å; M432-G435 CarbonylContact O-C 3.57Å; M432-G435 VanDerWaalsContact O-C 3.24Å; M432-G435 PolarHBondContact O-N 3.28Å; M432-P453 WeakPolarHBondContact O-CD 3.48Å; M432-P453 WeakPolarHBondContact O-CG 3.45Å; M432-T457 HydrophobicContact CE-CG2 4.37Å; M432-E458 WeakPolarHBondContact CE-O 3.47Å; M432-C459 HydrophobicContact SD-CB 4.05Å |
| 433 | C | 72.4 | Confident | 70.8 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -17.5 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 114.2 | L431 P452 C459 C465 G468 C470 | L431-C433 PolarHBondContact O-N 2.64Å; C433-P452 WeakPolarHBondContact O-CB 3.47Å; C433-C459 WeakPolarHBondContact SG-CB 3.4Å; C433-C465 WeakPolarHBondContact CA-SG 3.45Å; C433-C465 HydrophobicContact CB-CB 3.75Å; C433-C465 WeakPolarHBondContact CB-SG 3.36Å; C433-C465 WeakPolarHBondContact SG-CA 3.08Å; C433-C465 WeakPolarHBondContact SG-CB 3.43Å; C433-C465 CovalentContact SG-SG 2.04Å; C433-C465 PolarHBondContact SG-SG 3.22Å; C433-G468 CarbonylContact C-O 3.58Å; C433-G468 CarbonylContact O-C 3.57Å; C433-G468 VanDerWaalsContact O-CA 3.27Å; C433-G468 WeakPolarHBondContact O-CA 3.39Å; C433-C470 HydrophobicContact CB-CB 4.47Å; C433-C470 WeakPolarHBondContact SG-CA 3.23Å; C433-C470 VanDerWaalsContact SG-CB 3.51Å |
| 434 | A | 70 | Confident | 70 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -26.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L431 M432 | L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 3.23Å; M432-A434 VanDerWaalsContact C-N 3.3Å; M432-A434 PolarHBondContact O-N 2.95Å |
| 435 | G | 71.3 | Confident | 69.7 | Low | 5 Ų | 5 | 68.2 Ų | 68.2 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -167.6 | 136.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L431 M432 W437 D451 | L431-G435 PolarHBondContact O-N 2.85Å; L431-G435 VanDerWaalsContact O-N 3.11Å; M432-G435 CarbonylContact C-O 3.35Å; M432-G435 CarbonylContact O-C 3.57Å; M432-G435 VanDerWaalsContact O-C 3.24Å; M432-G435 PolarHBondContact O-N 3.28Å; G435-W437 PolarHBondContact O-N 3.06Å; G435-W437 PolarHBondContact O-NE1 2.93Å; G435-D451 CarbonylContact C-O 3.55Å; G435-D451 WeakPolarHBondContact CA-O 3.43Å |
| 436 | L | 76.8 | Confident | 69.6 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | trans | -75.5 | 121.6 | 178.5 | -178.3 | 56.8 | 0 | 0 | 0 | 110.1 | A410 Q413 L417 T448 D451 P453 | A410-L436 HydrophobicContact CB-CD1 4.36Å; Q413-L436 HydrophobicContact CB-CD2 3.42Å; Q413-L436 VanDerWaalsContact CB-CD2 3.42Å; L417-L436 HydrophobicContact CD1-CD2 3.9Å; L436-T448 VanDerWaalsContact O-CB 3.28Å; L436-T448 WeakPolarHBondContact O-CB 2.99Å; L436-T448 PolarHBondContact O-OG1 3.47Å; L436-D451 PolarHBondContact N-O 3.19Å; L436-P453 HydrophobicContact CB-CB 4.34Å; L436-P453 HydrophobicContact CD1-CB 4.42Å | ||
| 437 | W | 82.3 | Confident | 69.9 | Low | 66 Ų | 66 | 68.8 Ų | 68.8 | 25% | 0.25 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.1 | 178.8 | -62.3 | 87 | 0 | 0 | 0 | 109.9 | C425 M428 G435 T448 | C425-W437 HydrophobicContact CB-CB 3.83Å; C425-W437 WeakPolarHBondContact CB-O 3.48Å; C425-W437 PolarHBondContact N-O 2.66Å; M428-W437 HydrophobicContact CB-CB 4.08Å; M428-W437 HydrophobicContact CB-CG 3.92Å; M428-W437 HydrophobicContact CE-CD2 3.77Å; M428-W437 VanDerWaalsContact CE-CE2 3.45Å; M428-W437 HydrophobicContact CE-CE3 4.17Å; M428-W437 HydrophobicContact CE-CG 4.31Å; M428-W437 HydrophobicContact CE-CH2 4.03Å; M428-W437 HydrophobicContact CE-CZ2 3.62Å; M428-W437 HydrophobicContact CE-CZ3 4.28Å; M428-W437 HydrophobicContact CG-CB 4.42Å; M428-W437 HydrophobicContact CG-CD2 4.36Å; M428-W437 HydrophobicContact CG-CG 4.19Å; G435-W437 PolarHBondContact O-N 3.06Å; G435-W437 PolarHBondContact O-NE1 2.93Å; W437-T448 HydrophobicContact CD2-CG2 3.96Å; W437-T448 HydrophobicContact CE3-CG2 3.7Å; W437-T448 HydrophobicContact CH2-CG2 3.47Å; W437-T448 VanDerWaalsContact CH2-CG2 3.47Å; W437-T448 HydrophobicContact CZ2-CG2 3.73Å; W437-T448 HydrophobicContact CZ3-CG2 3.46Å; W437-T448 VanDerWaalsContact CZ3-CG2 3.46Å |
| 438 | C | 82.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139 | -172.6 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | C414 F418 T423 K447 | C414-C438 WeakPolarHBondContact CA-SG 3.07Å; C414-C438 HydrophobicContact CB-CB 3.7Å; C414-C438 WeakPolarHBondContact CB-SG 3.48Å; C414-C438 VanDerWaalsContact SG-CA 3.58Å; C414-C438 WeakPolarHBondContact SG-CB 2.91Å; C414-C438 CovalentContact SG-SG 2.03Å; C414-C438 PolarHBondContact SG-SG 3.25Å; F418-C438 HydrophobicContact CD2-CB 3.58Å; F418-C438 VanDerWaalsContact CD2-SG 3.56Å; F418-C438 HydrophobicContact CE2-CB 3.81Å; F418-C438 HydrophobicContact CG-CB 4.42Å; T423-C438 CarbonylContact O-C 3.51Å; T423-C438 WeakPolarHBondContact O-CA 3.4Å; C438-K447 PolarHBondContact N-O 3.24Å; C438-K447 PolarHBondContact O-N 2.95Å |
| 439 | L | 83.8 | Confident | 70.4 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.1 | 166.7 | -159.9 | 89 | 0 | 0 | 0 | 108.9 | S422 T423 | S422-L439 WeakPolarHBondContact CA-O 3.33Å; S422-L439 WeakPolarHBondContact CB-O 3.34Å; T423-L439 PolarHBondContact N-O 2.71Å; T423-L439 PolarHBondContact O-N 3.08Å |
| 440 | V | 79.1 | Confident | 70.3 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.3 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | F418 G442 D443 | F418-V440 HydrophobicContact CB-CG2 3.82Å; F418-V440 HydrophobicContact CD1-CG2 4.14Å; F418-V440 HydrophobicContact CG-CG2 4.06Å; V440-G442 PolarHBondContact O-N 3.1Å; V440-D443 PolarHBondContact O-N 3.44Å; V440-D443 VanDerWaalsContact O-N 3.12Å |
| 441 | N | 60.8 | Low | 70.2 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 115 | -177.6 | -87.6 | -6.3 | 0 | 0 | 0 | 112.5 | N421 | N421-N441 HydrophobicContact CB-CB 4.37Š|
| 442 | G | 61.2 | Low | 70.3 | Confident | 80 Ų | 80 | 53.6 Ų | 53.6 | 83% | 0.825 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122 | -23.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V440 | V440-G442 PolarHBondContact O-N 3.1Š|
| 443 | D | 60.9 | Low | 70.5 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -118.4 | 131.4 | 177.9 | -81.8 | -61.1 | 0 | 0 | 0 | 111.8 | V440 S445 K447 | V440-D443 PolarHBondContact O-N 3.44Å; V440-D443 VanDerWaalsContact O-N 3.12Å; D443-S445 PolarHBondContact O-N 3.34Å; D443-K447 WeakPolarHBondContact OD2-CE 3.46Å; D443-K447 IonicContact OD2-NZ 3.74Å; D443-K447 PolarHBondContact OD2-NZ 3.08Å | ||
| 444 | P | 64.5 | Low | 70.2 | Confident | 130 Ų | 130 | 53.3 Ų | 53.3 | 84% | 0.844 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -80.5 | 5.9 | 176.6 | 34.6 | -36.7 | 0 | 0 | 0 | 113.5 | ||
| 445 | S | 73.3 | Confident | 69.8 | Low | 68 Ų | 68 | 51.7 Ų | 51.7 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -112.4 | 131.3 | -178.9 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | D443 | D443-S445 PolarHBondContact O-N 3.34Š|
| 446 | C | 78.2 | Confident | 69.5 | Low | 33 Ų | 33 | 51.5 Ų | 51.5 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | trans | -71 | 131.3 | 179.8 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | C425 | C425-C446 HydrophobicContact CB-CB 3.65Å; C425-C446 WeakPolarHBondContact CB-SG 3.42Å; C425-C446 WeakPolarHBondContact SG-CB 3.37Å; C425-C446 CovalentContact SG-SG 2.03Å; C425-C446 PolarHBondContact SG-SG 3.33Å | ||
| 447 | K | 74.8 | Confident | 69.2 | Low | 82 Ų | 82 | 51.3 Ų | 51.3 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.5 | -177.4 | -62.4 | -178.4 | -175.4 | 177.4 | 0 | 110.4 | F418 C438 D443 | F418-K447 HydrophobicContact CE1-CB 4.25Å; F418-K447 HydrophobicContact CZ-CB 4.38Å; C438-K447 PolarHBondContact N-O 3.24Å; C438-K447 PolarHBondContact O-N 2.95Å; D443-K447 WeakPolarHBondContact OD2-CE 3.46Å; D443-K447 IonicContact OD2-NZ 3.74Å; D443-K447 PolarHBondContact OD2-NZ 3.08Å |
| 448 | T | 73.7 | Confident | 68.7 | Low | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.8 | 172.9 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | L436 W437 L450 | L436-T448 VanDerWaalsContact O-CB 3.28Å; L436-T448 WeakPolarHBondContact O-CB 2.99Å; L436-T448 PolarHBondContact O-OG1 3.47Å; W437-T448 HydrophobicContact CD2-CG2 3.96Å; W437-T448 HydrophobicContact CE3-CG2 3.7Å; W437-T448 HydrophobicContact CH2-CG2 3.47Å; W437-T448 VanDerWaalsContact CH2-CG2 3.47Å; W437-T448 HydrophobicContact CZ2-CG2 3.73Å; W437-T448 HydrophobicContact CZ3-CG2 3.46Å; W437-T448 VanDerWaalsContact CZ3-CG2 3.46Å; T448-L450 HydrophobicContact CG2-CD2 3.93Å; T448-L450 HydrophobicContact CG2-CG 4.38Å; T448-L450 PolarHBondContact OG1-N 3.32Å; T448-L450 VanDerWaalsContact OG1-N 3.08Å |
| 449 | K | 61.4 | Low | 68.4 | Low | 83 Ų | 83 | 53.5 Ų | 53.5 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | trans | -101.7 | 2.7 | 167.4 | -77.9 | 170.9 | 175.5 | 173.5 | 0 | 113.2 | L417 F418 D451 | L417-K449 HydrophobicContact CD2-CD 4.4Å; L417-K449 PolarHBondContact O-NZ 3.05Å; F418-K449 HydrophobicContact CE1-CD 4.45Å; F418-K449 HydrophobicContact CE1-CG 4.29Å; F418-K449 HydrophobicContact CZ-CD 4.16Å; F418-K449 HydrophobicContact CZ-CG 3.86Å; K449-D451 VanDerWaalsContact C-N 3.25Å; K449-D451 WeakPolarHBondContact CB-OD2 3.12Å | ||
| 450 | L | 58.6 | Low | 67.8 | Low | 108 Ų | 108 | 51.7 Ų | 51.7 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 66.7 | 22.3 | -172 | -53.6 | 169 | 0 | 0 | 0 | 113.9 | G356 T448 | G356-L450 WeakPolarHBondContact CA-O 3.47Å; T448-L450 HydrophobicContact CG2-CD2 3.93Å; T448-L450 HydrophobicContact CG2-CG 4.38Å; T448-L450 PolarHBondContact OG1-N 3.32Å; T448-L450 VanDerWaalsContact OG1-N 3.08Å |
| 451 | D | 58.7 | Low | 67.1 | Low | 18 Ų | 18 | 55.9 Ų | 55.9 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 124.9 | 173.9 | -64 | -51.9 | 0 | 0 | 0 | 109.3 | N318 G435 L436 K449 | N318-D451 PolarHBondContact ND2-OD1 3.06Å; G435-D451 CarbonylContact C-O 3.55Å; G435-D451 WeakPolarHBondContact CA-O 3.43Å; L436-D451 PolarHBondContact N-O 3.19Å; K449-D451 VanDerWaalsContact C-N 3.25Å; K449-D451 WeakPolarHBondContact CB-OD2 3.12Å |
| 452 | P | 65.6 | Low | 67.1 | Low | 26 Ų | 26 | 53.6 Ų | 53.6 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.6 | 174.2 | 28.5 | -34.7 | 0 | 0 | 0 | 110.4 | C433 | C433-P452 WeakPolarHBondContact O-CB 3.47Š|
| 453 | P | 71.2 | Confident | 67.6 | Low | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 156.7 | 173.4 | 30.6 | -37.5 | 0 | 0 | 0 | 110.4 | M432 L436 T457 C465 | M432-P453 WeakPolarHBondContact O-CD 3.48Å; M432-P453 WeakPolarHBondContact O-CG 3.45Å; L436-P453 HydrophobicContact CB-CB 4.34Å; L436-P453 HydrophobicContact CD1-CB 4.42Å; P453-T457 HydrophobicContact CB-CG2 4.11Å; P453-C465 HydrophobicContact CG-CB 4.2Å; P453-C465 VanDerWaalsContact CG-SG 3.52Å |
| 454 | L | 66 | Low | 68.2 | Low | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 148.3 | -177.8 | -67.3 | 169.8 | 0 | 0 | 0 | 112.5 | L317 P404 G405 Y408 Q413 G456 T457 | L317-L454 HydrophobicContact CB-CD2 4.02Å; L317-L454 HydrophobicContact CD1-CD1 3.62Å; L317-L454 HydrophobicContact CD1-CD2 3.71Å; L317-L454 HydrophobicContact CD1-CG 3.58Å; L317-L454 HydrophobicContact CD2-CD1 3.75Å; L317-L454 HydrophobicContact CD2-CD2 3.87Å; L317-L454 HydrophobicContact CD2-CG 4.26Å; L317-L454 HydrophobicContact CG-CD1 4.24Å; L317-L454 HydrophobicContact CG-CD2 4.01Å; L317-L454 HydrophobicContact CG-CG 4.35Å; P404-L454 HydrophobicContact CB-CB 4.13Å; P404-L454 HydrophobicContact CB-CD1 3.79Å; P404-L454 HydrophobicContact CB-CD2 3.93Å; P404-L454 HydrophobicContact CB-CG 4.16Å; G405-L454 VanDerWaalsContact CA-CB 3.48Å; G405-L454 VanDerWaalsContact N-CB 3.3Å; Y408-L454 HydrophobicContact CD2-CD1 4.11Å; Q413-L454 HydrophobicContact CG-CD1 4.18Å; L454-G456 PolarHBondContact O-N 2.78Å; L454-T457 PolarHBondContact N-OG1 2.69Å; L454-T457 VanDerWaalsContact O-CB 3.31Å; L454-T457 WeakPolarHBondContact O-CB 3.39Å; L454-T457 PolarHBondContact O-N 3.01Å; L454-T457 PolarHBondContact O-OG1 3.15Å |
| 455 | E | 61.4 | Low | 68.4 | Low | 31 Ų | 31 | 48.7 Ų | 48.7 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 135.6 | 172.7 | -57.7 | -157.6 | 110.1 | 0 | 0 | 109.9 | N360 L403 G405 C465 R466 G467 | N360-E455 PolarHBondContact ND2-OE2 2.78Å; L403-E455 CarbonylContact C-O 3.57Å; L403-E455 HydrophobicContact CB-CB 4.28Å; L403-E455 WeakPolarHBondContact CB-O 3.41Å; L403-E455 HydrophobicContact CD1-CB 4.25Å; L403-E455 HydrophobicContact CD2-CB 4.28Å; G405-E455 WeakPolarHBondContact CA-O 3.39Å; G405-E455 PolarHBondContact N-O 2.62Å; E455-C465 CarbonylContact C-O 3.6Å; E455-C465 VanDerWaalsContact CA-O 3.29Å; E455-C465 WeakPolarHBondContact CA-O 3.47Å; E455-R466 WeakPolarHBondContact OE1-CG 3.44Å; E455-G467 PolarHBondContact OE1-N 3.46Å |
| 456 | G | 64.9 | Low | 68 | Low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -0.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G405 L454 C465 | G405-G456 CarbonylContact C-O 3.45Å; L454-G456 PolarHBondContact O-N 2.78Å; G456-C465 PolarHBondContact N-O 2.71Å |
| 457 | T | 71.2 | Confident | 66.9 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -67.2 | 137.3 | 171.7 | -50.1 | 0 | 0 | 0 | 0 | 110.1 | G405 A410 Q413 M432 P453 L454 W464 C465 | G405-T457 WeakPolarHBondContact CA-OG1 3.38Å; A410-T457 HydrophobicContact CB-CG2 3.88Å; Q413-T457 PolarHBondContact NE2-OG1 3.13Å; M432-T457 HydrophobicContact CE-CG2 4.37Å; P453-T457 HydrophobicContact CB-CG2 4.11Å; L454-T457 PolarHBondContact N-OG1 2.69Å; L454-T457 VanDerWaalsContact O-CB 3.31Å; L454-T457 WeakPolarHBondContact O-CB 3.39Å; L454-T457 PolarHBondContact O-N 3.01Å; L454-T457 PolarHBondContact O-OG1 3.15Å; T457-W464 CarbonylContact O-C 3.47Å; T457-W464 VanDerWaalsContact O-CA 3.26Å; T457-W464 WeakPolarHBondContact O-CA 3.22Å; T457-C465 PolarHBondContact O-N 3.44Å | ||
| 458 | E | 71.6 | Confident | 66.3 | Low | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.7 | 175.8 | -166.4 | 147.2 | -127.4 | 0 | 0 | 112.2 | M432 K473 | M432-E458 WeakPolarHBondContact CE-O 3.47Å; E458-K473 WeakPolarHBondContact OE1-CE 3.47Å; E458-K473 IonicContact OE1-NZ 2.73Å; E458-K473 PolarHBondContact OE1-NZ 3.28Å |
| 459 | C | 75.7 | Confident | 66.1 | Low | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.054 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 16.8 | -175.5 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | M432 C433 K463 C470 | M432-C459 HydrophobicContact SD-CB 4.05Å; C433-C459 WeakPolarHBondContact SG-CB 3.4Å; C459-K463 PolarHBondContact N-O 3.4Å; C459-K463 VanDerWaalsContact SG-C 3.59Å; C459-C470 HydrophobicContact CB-CB 3.93Å; C459-C470 WeakPolarHBondContact CB-SG 3.41Å; C459-C470 PolarHBondContact O-SG 3.16Å; C459-C470 WeakPolarHBondContact SG-CA 3.32Å; C459-C470 WeakPolarHBondContact SG-CB 3.44Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 3.34Å |
| 460 | G | 70.1 | Confident | 66.8 | Low | 22 Ų | 22 | 54.6 Ų | 54.6 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.5 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D462 K463 | G460-D462 PolarHBondContact O-N 3.09Å; G460-D462 VanDerWaalsContact O-N 3.13Å; G460-K463 PolarHBondContact O-N 3.45Å |
| 461 | T | 65.3 | Low | 67.4 | Low | 127 Ų | 127 | 52.1 Ų | 52.1 | 78% | 0.779 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 120.4 | 176.6 | 45 | 0 | 0 | 0 | 0 | 110.6 | K463 | T461-K463 VanDerWaalsContact C-N 3.29Å; T461-K463 PolarHBondContact O-N 3.34Å |
| 462 | D | 60.1 | Low | 67.6 | Low | 74 Ų | 74 | 55.6 Ų | 55.6 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 42.3 | -174 | -60.9 | -37.1 | 0 | 0 | 0 | 116.1 | G460 S472 K473 I476 | G460-D462 PolarHBondContact O-N 3.09Å; G460-D462 VanDerWaalsContact O-N 3.13Å; D462-S472 CarbonylContact O-C 3.59Å; D462-S472 WeakPolarHBondContact O-CA 3.27Å; D462-K473 HydrophobicContact CB-CB 4.34Å; D462-K473 HydrophobicContact CB-CD 4.19Å; D462-K473 HydrophobicContact CB-CG 4.5Å; D462-K473 PolarHBondContact O-N 2.02Å; D462-K473 IonicContact OD1-NZ 3.81Å; D462-K473 PolarHBondContact OD1-NZ 2.94Å; D462-I476 WeakPolarHBondContact OD2-CD1 3.34Å |
| 463 | K | 72.9 | Confident | 67.4 | Low | 94 Ų | 94 | 56.6 Ų | 56.6 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.7 | 172.6 | -59.7 | 169 | -170.1 | 172.9 | 0 | 113.2 | C459 G460 T461 C470 V471 | C459-K463 PolarHBondContact N-O 3.4Å; C459-K463 VanDerWaalsContact SG-C 3.59Å; G460-K463 PolarHBondContact O-N 3.45Å; T461-K463 VanDerWaalsContact C-N 3.29Å; T461-K463 PolarHBondContact O-N 3.34Å; K463-C470 WeakPolarHBondContact CB-SG 3.37Å; K463-V471 CarbonylContact C-O 3.45Å; K463-V471 WeakPolarHBondContact CA-O 3.1Å; K463-V471 WeakPolarHBondContact CB-O 3.41Å |
| 464 | W | 72.4 | Confident | 66.3 | Low | 83 Ų | 83 | 60.4 Ų | 60.4 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.1 | 175.1 | -72.1 | -30.2 | 0 | 0 | 0 | 111.8 | M406 T457 V471 K473 | M406-W464 HydrophobicContact CE-CH2 3.42Å; M406-W464 VanDerWaalsContact CE-CH2 3.42Å; M406-W464 HydrophobicContact CE-CZ2 3.77Å; M406-W464 HydrophobicContact CE-CZ3 3.96Å; M406-W464 HydrophobicContact SD-CH2 4.31Å; M406-W464 HydrophobicContact SD-CZ3 4.3Å; T457-W464 CarbonylContact O-C 3.47Å; T457-W464 VanDerWaalsContact O-CA 3.26Å; T457-W464 WeakPolarHBondContact O-CA 3.22Å; W464-V471 PolarHBondContact N-O 3.38Å; W464-V471 VanDerWaalsContact O-CG2 3.31Å; W464-V471 WeakPolarHBondContact O-CG2 3.43Å; W464-V471 PolarHBondContact O-N 3.48Å; W464-K473 HydrophobicContact CD2-CD 4.39Å; W464-K473 HydrophobicContact CD2-CG 3.86Å; W464-K473 HydrophobicContact CE3-CG 4.16Å; W464-K473 HydrophobicContact CG-CG 4.23Å; W464-K473 HydrophobicContact CH2-CG 4.48Å; W464-K473 HydrophobicContact CZ2-CD 3.98Å; W464-K473 HydrophobicContact CZ2-CG 4.23Å; W464-K473 HydrophobicContact CZ3-CG 4.46Å |
| 465 | C | 68.6 | Low | 65.2 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.02 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.1 | 171.3 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | C433 P453 E455 G456 T457 Q469 | C433-C465 WeakPolarHBondContact CA-SG 3.45Å; C433-C465 HydrophobicContact CB-CB 3.75Å; C433-C465 WeakPolarHBondContact CB-SG 3.36Å; C433-C465 WeakPolarHBondContact SG-CA 3.08Å; C433-C465 WeakPolarHBondContact SG-CB 3.43Å; C433-C465 CovalentContact SG-SG 2.04Å; C433-C465 PolarHBondContact SG-SG 3.22Å; P453-C465 HydrophobicContact CG-CB 4.2Å; P453-C465 VanDerWaalsContact CG-SG 3.52Å; E455-C465 CarbonylContact C-O 3.6Å; E455-C465 VanDerWaalsContact CA-O 3.29Å; E455-C465 WeakPolarHBondContact CA-O 3.47Å; G456-C465 PolarHBondContact N-O 2.71Å; T457-C465 PolarHBondContact O-N 3.44Å; C465-Q469 CarbonylContact C-O 3.27Å; C465-Q469 WeakPolarHBondContact CA-O 3.34Å |
| 466 | R | 64.8 | Low | 64 | Low | 156 Ų | 156 | 68.7 Ų | 68.7 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 133.4 | 172.5 | -164.8 | 176.5 | -172.9 | 169 | 2.3 | 109.9 | E455 G468 Q469 V471 | E455-R466 WeakPolarHBondContact OE1-CG 3.44Å; R466-G468 PolarHBondContact O-N 3.25Å; R466-Q469 PolarHBondContact N-O 3.36Å; R466-Q469 PolarHBondContact O-N 3.36Å; R466-V471 HydrophobicContact CB-CG2 3.79Å |
| 467 | G | 56.1 | Low | 62.7 | Low | 49 Ų | 49 | 72.8 Ų | 72.8 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 18.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N358 E455 | N358-G467 WeakPolarHBondContact ND2-CA 3.34Å; N358-G467 PolarHBondContact ND2-O 2.88Å; E455-G467 PolarHBondContact OE1-N 3.46Å |
| 468 | G | 61.8 | Low | 61.6 | Low | 25 Ų | 25 | 81 Ų | 81 | 26% | 0.258 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 5.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N358 C433 R466 | N358-G468 PolarHBondContact ND2-N 3.5Å; C433-G468 CarbonylContact C-O 3.58Å; C433-G468 CarbonylContact O-C 3.57Å; C433-G468 VanDerWaalsContact O-CA 3.27Å; C433-G468 WeakPolarHBondContact O-CA 3.39Å; R466-G468 PolarHBondContact O-N 3.25Å |
| 469 | Q | 69.8 | Low | 60.3 | Low | 139 Ų | 139 | 81 Ų | 81 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.7 | -178.8 | -64.1 | -176.6 | -10 | 0 | 0 | 111.5 | C465 R466 V471 | C465-Q469 CarbonylContact C-O 3.27Å; C465-Q469 WeakPolarHBondContact CA-O 3.34Å; R466-Q469 PolarHBondContact N-O 3.36Å; R466-Q469 PolarHBondContact O-N 3.36Å; Q469-V471 HydrophobicContact CB-CG1 4.47Å; Q469-V471 PolarHBondContact O-N 3.25Å |
| 470 | C | 76.3 | Confident | 59.2 | Low | 54 Ų | 54 | 82.3 Ų | 82.3 | 37% | 0.365 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105.2 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | C433 C459 K463 | C433-C470 HydrophobicContact CB-CB 4.47Å; C433-C470 WeakPolarHBondContact SG-CA 3.23Å; C433-C470 VanDerWaalsContact SG-CB 3.51Å; C459-C470 HydrophobicContact CB-CB 3.93Å; C459-C470 WeakPolarHBondContact CB-SG 3.41Å; C459-C470 PolarHBondContact O-SG 3.16Å; C459-C470 WeakPolarHBondContact SG-CA 3.32Å; C459-C470 WeakPolarHBondContact SG-CB 3.44Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 3.34Å; K463-C470 WeakPolarHBondContact CB-SG 3.37Å |
| 471 | V | 71.3 | Confident | 58.6 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147.9 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | K463 W464 R466 Q469 | K463-V471 CarbonylContact C-O 3.45Å; K463-V471 WeakPolarHBondContact CA-O 3.1Å; K463-V471 WeakPolarHBondContact CB-O 3.41Å; W464-V471 PolarHBondContact N-O 3.38Å; W464-V471 VanDerWaalsContact O-CG2 3.31Å; W464-V471 WeakPolarHBondContact O-CG2 3.43Å; W464-V471 PolarHBondContact O-N 3.48Å; R466-V471 HydrophobicContact CB-CG2 3.79Å; Q469-V471 HydrophobicContact CB-CG1 4.47Å; Q469-V471 PolarHBondContact O-N 3.25Å |
| 472 | S | 62.9 | Low | 58.4 | Low | 90 Ų | 90 | 79.1 Ų | 79.1 | 63% | 0.629 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.9 | 177.7 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | D462 A474 | D462-S472 CarbonylContact O-C 3.59Å; D462-S472 WeakPolarHBondContact O-CA 3.27Å; S472-A474 PolarHBondContact O-N 3.45Å |
| 473 | K | 61.6 | Low | 58.6 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -54 | 135.1 | 156.1 | -59.3 | 177.6 | -154.5 | 159.7 | 0 | 106.1 | E458 D462 W464 | E458-K473 WeakPolarHBondContact OE1-CE 3.47Å; E458-K473 IonicContact OE1-NZ 2.73Å; E458-K473 PolarHBondContact OE1-NZ 3.28Å; D462-K473 HydrophobicContact CB-CB 4.34Å; D462-K473 HydrophobicContact CB-CD 4.19Å; D462-K473 HydrophobicContact CB-CG 4.5Å; D462-K473 PolarHBondContact O-N 2.02Å; D462-K473 IonicContact OD1-NZ 3.81Å; D462-K473 PolarHBondContact OD1-NZ 2.94Å; W464-K473 HydrophobicContact CD2-CD 4.39Å; W464-K473 HydrophobicContact CD2-CG 3.86Å; W464-K473 HydrophobicContact CE3-CG 4.16Å; W464-K473 HydrophobicContact CG-CG 4.23Å; W464-K473 HydrophobicContact CH2-CG 4.48Å; W464-K473 HydrophobicContact CZ2-CD 3.98Å; W464-K473 HydrophobicContact CZ2-CG 4.23Å; W464-K473 HydrophobicContact CZ3-CG 4.46Å |
| 474 | A | 47.1 | Very low | 58.6 | Low | 84 Ų | 84 | 76.7 Ų | 76.7 | 69% | 0.694 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 145.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S472 I476 | S472-A474 PolarHBondContact O-N 3.45Å; A474-I476 PolarHBondContact O-N 2.91Å |
| 475 | P | 43.1 | Very low | 58.3 | Low | 125 Ų | 125 | 73.7 Ų | 73.7 | 81% | 0.812 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 132.3 | -160.5 | 22.9 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 476 | I | 37.3 | Very low | 58.2 | Low | 100 Ų | 100 | 78.7 Ų | 78.7 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 125.8 | 178 | -56.6 | 171.7 | 0 | 0 | 0 | 108.4 | D462 A474 V480 | D462-I476 WeakPolarHBondContact OD2-CD1 3.34Å; A474-I476 PolarHBondContact O-N 2.91Å; I476-V480 HydrophobicContact CG2-CG2 4.43Å |
| 477 | P | 37.8 | Very low | 58.5 | Low | 86 Ų | 86 | 74.8 Ų | 74.8 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -59 | 142.2 | 171.3 | -21.7 | 32.8 | 0 | 0 | 0 | 110.9 | H479 V480 | P477-H479 PolarHBondContact O-N 3.09Å; P477-V480 HydrophobicContact CB-CG2 3.99Å; P477-V480 HydrophobicContact CG-CG2 4.11Å |
| 478 | Q | 46.4 | Very low | 58.9 | Low | 173 Ų | 173 | 74.6 Ų | 74.6 | 81% | 0.808 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -56.3 | -25.5 | -173.9 | -121.5 | 172.5 | -15.7 | 0 | 0 | 114.5 | ||
| 479 | H | 45 | Very low | 59.3 | Low | 106 Ų | 106 | 81 Ų | 81 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | trans | -129.6 | 106.8 | 179.2 | -172.8 | -69.3 | 0 | 0 | 0 | 109.4 | P477 D481 D516 | P477-H479 PolarHBondContact O-N 3.09Å; H479-D481 IonicContact CE1-OD1 3.01Å; H479-D481 PolarHBondContact CE1-OD1 3.38Å; H479-D481 IonicContact CE1-OD2 3.82Å; H479-D481 IonicContact ND1-OD1 2.71Å; H479-D481 IonicContact NE2-OD1 3.32Å; H479-D516 PolarHBondContact CD2-O 2.71Å; H479-D516 PolarHBondContact NE2-O 3.24Å | ||
| 480 | V | 52.4 | Low | 59.5 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 21% | 0.212 | 44% | 0.438 | C | S | . | . | trans | -132.9 | 115.1 | 173 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | I476 P477 P511 G514 G517 | I476-V480 HydrophobicContact CG2-CG2 4.43Å; P477-V480 HydrophobicContact CB-CG2 3.99Å; P477-V480 HydrophobicContact CG-CG2 4.11Å; V480-P511 HydrophobicContact CG1-CB 4.31Å; V480-P511 HydrophobicContact CG1-CG 3.67Å; V480-G514 PolarHBondContact O-N 3.16Å; V480-G517 WeakPolarHBondContact O-CA 3.4Å | ||
| 481 | D | 57.5 | Low | 59.5 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | -69.6 | 144.1 | 174.6 | -58.6 | -45.9 | 0 | 0 | 0 | 109.8 | H479 Q518 | H479-D481 IonicContact CE1-OD1 3.01Å; H479-D481 PolarHBondContact CE1-OD1 3.38Å; H479-D481 IonicContact CE1-OD2 3.82Å; H479-D481 IonicContact ND1-OD1 2.71Å; H479-D481 IonicContact NE2-OD1 3.32Å; D481-Q518 HydrophobicContact CB-CB 4.36Å; D481-Q518 WeakPolarHBondContact OD1-CB 3.37Å; D481-Q518 PolarHBondContact OD1-N 3.06Å | ||
| 482 | G | 60.9 | Low | 59.6 | Low | 9 Ų | 9 | 82.8 Ų | 82.8 | 9% | 0.093 | 45% | 0.454 | C | S | . | . | trans | -75.7 | 137.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P511 Q518 C520 | G482-P511 WeakPolarHBondContact CA-O 3.37Å; G482-Q518 PolarHBondContact N-O 2.95Å; G482-C520 PolarHBondContact O-SG 2.96Å | ||
| 483 | D | 64.1 | Low | 60.5 | Low | 86 Ų | 86 | 80.4 Ų | 80.4 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | trans | -125.7 | 160.1 | 173.5 | -168.3 | 27.5 | 0 | 0 | 0 | 112.6 | C508 D509 N510 P511 C520 | D483-C508 CarbonylContact O-C 3.53Å; D483-D509 PolarHBondContact O-N 2.76Å; D483-N510 WeakPolarHBondContact CB-O 3.46Å; D483-N510 CarbonylContact O-C 3.56Å; D483-N510 PolarHBondContact O-N 3.44Å; D483-P511 PolarHBondContact N-O 3.25Å; D483-C520 VanDerWaalsContact CA-SG 3.5Å | ||
| 484 | W | 74.2 | Confident | 61.2 | Low | 30 Ų | 30 | 80 Ų | 80 | 11% | 0.114 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 136 | -167.3 | -77.4 | 114.4 | 0 | 0 | 0 | 113.9 | R506 K507 C508 C520 E522 | W484-R506 HydrophobicContact CD2-CG 3.97Å; W484-R506 HydrophobicContact CE3-CB 4.13Å; W484-R506 HydrophobicContact CE3-CG 3.48Å; W484-R506 VanDerWaalsContact CE3-CG 3.48Å; W484-R506 HydrophobicContact CG-CG 4.5Å; W484-R506 HydrophobicContact CZ3-CG 4.02Å; W484-K507 CarbonylContact C-O 3.47Å; W484-K507 VanDerWaalsContact CE3-C 3.47Å; W484-C508 HydrophobicContact CE3-CB 4.44Å; W484-C508 HydrophobicContact CZ3-CB 4.17Å; W484-C520 HydrophobicContact CD2-CB 3.84Å; W484-C520 HydrophobicContact CE3-CB 4.35Å; W484-C520 HydrophobicContact CG-CB 4.36Å; W484-C520 HydrophobicContact CH2-CB 3.81Å; W484-C520 HydrophobicContact CZ2-CB 3.24Å; W484-C520 HydrophobicContact CZ3-CB 4.35Å; W484-E522 HydrophobicContact CZ2-CB 4.5Å; W484-E522 WeakPolarHBondContact CZ2-O 3.06Å |
| 485 | S | 64.6 | Low | 62.4 | Low | 20 Ų | 20 | 78.5 Ų | 78.5 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 158.1 | 163.2 | 92 | 0 | 0 | 0 | 0 | 111 | W487 R506 K507 D509 | S485-W487 PolarHBondContact O-N 3.5Å; S485-R506 WeakPolarHBondContact O-CB 3.44Å; S485-R506 WeakPolarHBondContact OG-CA 3.47Å; S485-K507 WeakPolarHBondContact CB-O 3.02Å; S485-K507 PolarHBondContact N-O 3.12Å; S485-K507 PolarHBondContact OG-N 3.15Å; S485-D509 WeakPolarHBondContact CB-OD1 3.5Å |
| 486 | P | 66.5 | Low | 63.8 | Low | 109 Ų | 109 | 79.2 Ų | 79.2 | 71% | 0.708 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 140.7 | 165.8 | -23.3 | 34 | 0 | 0 | 0 | 111.1 | ||
| 487 | W | 71.9 | Confident | 65.6 | Low | 73 Ų | 73 | 76 Ų | 76 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 138.2 | 172.6 | -73.7 | 106.9 | 0 | 0 | 0 | 111.7 | S485 R504 R506 A523 E526 | S485-W487 PolarHBondContact O-N 3.5Å; W487-R504 HydrophobicContact CD2-CG 4.19Å; W487-R504 HydrophobicContact CE3-CB 4.39Å; W487-R504 HydrophobicContact CE3-CG 3.69Å; W487-R504 HydrophobicContact CZ3-CG 4.24Å; W487-R504 WeakPolarHBondContact CZ3-O 3.25Å; W487-R506 HydrophobicContact CD2-CB 4.2Å; W487-R506 HydrophobicContact CD2-CG 3.93Å; W487-R506 HydrophobicContact CE3-CB 3.95Å; W487-R506 HydrophobicContact CE3-CG 3.66Å; W487-R506 HydrophobicContact CH2-CG 3.82Å; W487-R506 HydrophobicContact CZ2-CG 4.09Å; W487-R506 HydrophobicContact CZ3-CB 4.34Å; W487-R506 HydrophobicContact CZ3-CG 3.61Å; W487-A523 WeakPolarHBondContact CH2-O 3.08Å; W487-E526 HydrophobicContact CE3-CB 4.43Å; W487-E526 HydrophobicContact CH2-CB 3.52Å; W487-E526 HydrophobicContact CZ2-CB 4.03Å; W487-E526 HydrophobicContact CZ3-CB 3.74Å |
| 488 | S | 63.6 | Low | 67.4 | Low | 45 Ų | 45 | 72.8 Ų | 72.8 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 164.9 | 169.7 | 76.5 | 0 | 0 | 0 | 0 | 111.8 | R504 Q505 | S488-R504 WeakPolarHBondContact OG-CA 3.18Å; S488-Q505 WeakPolarHBondContact CB-O 3.35Å; S488-Q505 PolarHBondContact N-O 2.81Å; S488-Q505 PolarHBondContact OG-N 2.85Å; S488-Q505 PolarHBondContact OG-O 2.92Å |
| 489 | Q | 70.6 | Confident | 69 | Low | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.752 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 152.7 | 161.7 | -63.9 | -171.6 | 7.2 | 0 | 0 | 110.2 | ||
| 490 | W | 75.2 | Confident | 70.7 | Confident | 83 Ų | 83 | 62 Ų | 62 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 137.6 | 173.3 | -70.2 | 102.4 | 0 | 0 | 0 | 110.4 | Q502 R504 E526 K528 | W490-Q502 HydrophobicContact CE3-CB 4.05Å; W490-R504 HydrophobicContact CD2-CB 4.18Å; W490-R504 HydrophobicContact CD2-CG 4.09Å; W490-R504 HydrophobicContact CE3-CB 3.97Å; W490-R504 HydrophobicContact CE3-CG 3.87Å; W490-R504 HydrophobicContact CH2-CG 3.81Å; W490-R504 HydrophobicContact CZ2-CG 4.04Å; W490-R504 HydrophobicContact CZ3-CB 4.28Å; W490-R504 HydrophobicContact CZ3-CG 3.72Å; W490-E526 HydrophobicContact CH2-CB 4.46Å; W490-E526 HydrophobicContact CH2-CG 3.99Å; W490-K528 HydrophobicContact CE3-CB 4.14Å; W490-K528 HydrophobicContact CH2-CB 3.51Å; W490-K528 HydrophobicContact CH2-CD 4.38Å; W490-K528 HydrophobicContact CZ2-CB 4.14Å; W490-K528 HydrophobicContact CZ2-CD 4.15Å; W490-K528 HydrophobicContact CZ3-CB 3.5Å |
| 491 | S | 75.4 | Confident | 72.1 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 166.3 | 172.5 | 74.4 | 0 | 0 | 0 | 0 | 111.6 | Q502 F503 | S491-Q502 WeakPolarHBondContact O-CG 3.22Å; S491-Q502 PolarHBondContact O-NE2 3.09Å; S491-Q502 WeakPolarHBondContact OG-CA 3.37Å; S491-F503 WeakPolarHBondContact CB-O 3.45Å; S491-F503 PolarHBondContact N-O 3.35Å; S491-F503 WeakPolarHBondContact OG-CD1 3.49Å; S491-F503 PolarHBondContact OG-N 3.38Å |
| 492 | M | 73.3 | Confident | 73.4 | Confident | 174 Ų | 174 | 59.6 Ų | 59.6 | 86% | 0.857 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 153.4 | 160.9 | -58.7 | -162.1 | -52 | 0 | 0 | 110.3 | ||
| 493 | C | 81.6 | Confident | 74.2 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.2 | 173.9 | -172 | 0 | 0 | 0 | 0 | 109.6 | R495 Q502 C530 | C493-R495 PolarHBondContact O-N 3.1Å; C493-R495 PolarHBondContact SG-O 3.32Å; C493-Q502 HydrophobicContact CB-CG 4.13Å; C493-C530 WeakPolarHBondContact CA-SG 3.02Å; C493-C530 HydrophobicContact CB-CB 3.82Å; C493-C530 WeakPolarHBondContact CB-SG 3.09Å; C493-C530 WeakPolarHBondContact SG-CB 3.31Å; C493-C530 CovalentContact SG-SG 2.02Å; C493-C530 PolarHBondContact SG-SG 3.31Å |
| 494 | S | 77.1 | Confident | 75 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -63.8 | -9.3 | -178.4 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | V501 F542 D595 | S494-V501 WeakPolarHBondContact CB-O 3.43Å; S494-V501 PolarHBondContact N-O 3.1Å; S494-V501 PolarHBondContact OG-N 3.15Å; S494-V501 PolarHBondContact OG-O 2.9Å; S494-F542 WeakPolarHBondContact O-CZ 3.44Å; S494-D595 WeakPolarHBondContact CB-O 3.08Å; S494-D595 PolarHBondContact OG-O 2.81Å |
| 495 | R | 71.6 | Confident | 75.1 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -139.9 | 147.3 | 177 | -62.1 | 177.6 | 61.9 | 175.3 | 6.4 | 111.1 | C493 C497 T499 F542 | C493-R495 PolarHBondContact O-N 3.1Å; C493-R495 PolarHBondContact SG-O 3.32Å; R495-C497 PolarHBondContact NE-O 2.83Å; R495-T499 WeakPolarHBondContact CD-O 3.34Å; R495-T499 PolarHBondContact NH1-O 3.26Å; R495-F542 HydrophobicContact CG-CD1 4.18Å; R495-F542 HydrophobicContact CG-CD2 3.88Å; R495-F542 HydrophobicContact CG-CE1 4.12Å; R495-F542 HydrophobicContact CG-CE2 3.82Å; R495-F542 HydrophobicContact CG-CG 4.05Å; R495-F542 HydrophobicContact CG-CZ 3.94Å | ||
| 496 | T | 72.9 | Confident | 75.7 | Confident | 141 Ų | 141 | 66.4 Ų | 66.4 | 87% | 0.865 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -88.5 | -21.2 | 173.9 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 497 | C | 74.3 | Confident | 75.7 | Confident | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -132.6 | 150.8 | 175.9 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | R495 Q533 C535 | R495-C497 PolarHBondContact NE-O 2.83Å; C497-Q533 CarbonylContact C-O 3.5Å; C497-Q533 WeakPolarHBondContact CA-O 3.3Å; C497-Q533 VanDerWaalsContact CB-O 3.25Å; C497-Q533 WeakPolarHBondContact CB-O 3.16Å; C497-C535 HydrophobicContact CB-CB 3.99Å; C497-C535 WeakPolarHBondContact CB-SG 3.33Å; C497-C535 PolarHBondContact O-SG 3.24Å; C497-C535 VanDerWaalsContact O-SG 3.35Å; C497-C535 VanDerWaalsContact SG-CA 3.54Å; C497-C535 WeakPolarHBondContact SG-CB 3.1Å; C497-C535 CovalentContact SG-SG 2.05Å; C497-C535 PolarHBondContact SG-SG 3.24Å |
| 498 | G | 75.9 | Confident | 75.5 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 69.7 | -164.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G532 Q533 | G498-G532 PolarHBondContact O-N 2.02Å; G498-Q533 PolarHBondContact N-O 2.93Å |
| 499 | T | 80.1 | Confident | 75.4 | Confident | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.6 | 175.4 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | R495 A529 C530 L606 I615 | R495-T499 WeakPolarHBondContact CD-O 3.34Å; R495-T499 PolarHBondContact NH1-O 3.26Å; T499-A529 HydrophobicContact CG2-CB 4.5Å; T499-C530 WeakPolarHBondContact CA-O 3.4Å; T499-L606 HydrophobicContact CG2-CD1 4.21Å; T499-I615 HydrophobicContact CG2-CD1 3.96Å |
| 500 | G | 80.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -167.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A529 C530 | G500-A529 WeakPolarHBondContact O-CA 2.97Å; G500-C530 PolarHBondContact N-O 3.26Å; G500-C530 PolarHBondContact O-N 3.42Å; G500-C530 PolarHBondContact O-SG 3.28Å; G500-C530 VanDerWaalsContact O-SG 3.41Å |
| 501 | V | 82.9 | Confident | 73.2 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.8 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | S494 H527 K528 C530 G596 L606 I608 I621 | S494-V501 WeakPolarHBondContact CB-O 3.43Å; S494-V501 PolarHBondContact N-O 3.1Å; S494-V501 PolarHBondContact OG-N 3.15Å; S494-V501 PolarHBondContact OG-O 2.9Å; V501-H527 HydrophobicContact CG1-CB 3.94Å; V501-K528 CarbonylContact C-O 3.59Å; V501-K528 WeakPolarHBondContact CA-O 3.27Å; V501-C530 VanDerWaalsContact C-SG 3.53Å; V501-C530 PolarHBondContact N-SG 3.18Å; V501-C530 VanDerWaalsContact N-SG 3.37Å; V501-G596 VanDerWaalsContact CG2-CA 3.46Å; V501-L606 HydrophobicContact CG2-CD1 3.67Å; V501-I608 HydrophobicContact CG2-CD1 4.4Å; V501-I621 HydrophobicContact CG1-CD1 4.2Å; V501-I621 HydrophobicContact CG2-CD1 3.99Å |
| 502 | Q | 82.9 | Confident | 71.9 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.7 | 162.8 | -66.5 | 176.9 | -70.8 | 0 | 0 | 108.8 | W490 S491 C493 H527 K528 C530 | W490-Q502 HydrophobicContact CE3-CB 4.05Å; S491-Q502 WeakPolarHBondContact O-CG 3.22Å; S491-Q502 PolarHBondContact O-NE2 3.09Å; S491-Q502 WeakPolarHBondContact OG-CA 3.37Å; C493-Q502 HydrophobicContact CB-CG 4.13Å; Q502-H527 CarbonylContact O-C 3.6Å; Q502-H527 WeakPolarHBondContact O-CA 3.22Å; Q502-K528 PolarHBondContact N-O 2.9Å; Q502-K528 PolarHBondContact O-N 3.39Å; Q502-C530 HydrophobicContact CG-CB 4.04Å |
| 503 | F | 79.6 | Confident | 71.3 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 158.8 | 173.1 | 71.8 | -85.6 | 0 | 0 | 0 | 111.6 | S491 V525 E526 | S491-F503 WeakPolarHBondContact CB-O 3.45Å; S491-F503 PolarHBondContact N-O 3.35Å; S491-F503 WeakPolarHBondContact OG-CD1 3.49Å; S491-F503 PolarHBondContact OG-N 3.38Å; F503-V525 HydrophobicContact CB-CG1 4.28Å; F503-V525 HydrophobicContact CD2-CG1 4.1Å; F503-E526 CarbonylContact C-O 3.49Å; F503-E526 WeakPolarHBondContact CA-O 3.44Å; F503-E526 WeakPolarHBondContact CB-O 3.01Å |
| 504 | R | 79.3 | Confident | 70.3 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.3 | 168.2 | 63.6 | 178.9 | -174 | 177 | -6.6 | 109.7 | W487 S488 W490 V525 E526 | W487-R504 HydrophobicContact CD2-CG 4.19Å; W487-R504 HydrophobicContact CE3-CB 4.39Å; W487-R504 HydrophobicContact CE3-CG 3.69Å; W487-R504 HydrophobicContact CZ3-CG 4.24Å; W487-R504 WeakPolarHBondContact CZ3-O 3.25Å; S488-R504 WeakPolarHBondContact OG-CA 3.18Å; W490-R504 HydrophobicContact CD2-CB 4.18Å; W490-R504 HydrophobicContact CD2-CG 4.09Å; W490-R504 HydrophobicContact CE3-CB 3.97Å; W490-R504 HydrophobicContact CE3-CG 3.87Å; W490-R504 HydrophobicContact CH2-CG 3.81Å; W490-R504 HydrophobicContact CZ2-CG 4.04Å; W490-R504 HydrophobicContact CZ3-CB 4.28Å; W490-R504 HydrophobicContact CZ3-CG 3.72Å; R504-V525 WeakPolarHBondContact O-CA 3.4Å; R504-V525 WeakPolarHBondContact O-CG1 3.39Å; R504-E526 HydrophobicContact CG-CB 4.09Å; R504-E526 IonicContact CZ-OE2 2.68Å; R504-E526 PolarHBondContact N-O 2.92Å; R504-E526 IonicContact NE-OE1 3.26Å; R504-E526 IonicContact NE-OE2 2.71Å; R504-E526 PolarHBondContact NE-OE2 2.89Å; R504-E526 IonicContact NH2-OE1 3.85Å; R504-E526 PolarHBondContact NH2-OE1 3.48Å; R504-E526 IonicContact NH2-OE2 3.11Å; R504-E526 PolarHBondContact NH2-OE2 3.43Å; R504-E526 PolarHBondContact O-N 2.71Å |
| 505 | Q | 76.8 | Confident | 69.5 | Low | 108 Ų | 108 | 60.8 Ų | 60.8 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.8 | -173.5 | 63.6 | -175.8 | 0.3 | 0 | 0 | 112.7 | S488 S524 V525 | S488-Q505 WeakPolarHBondContact CB-O 3.35Å; S488-Q505 PolarHBondContact N-O 2.81Å; S488-Q505 PolarHBondContact OG-N 2.85Å; S488-Q505 PolarHBondContact OG-O 2.92Å; Q505-S524 CarbonylContact C-O 3.4Å; Q505-S524 VanDerWaalsContact CA-O 3.22Å; Q505-S524 WeakPolarHBondContact CA-O 3.43Å; Q505-V525 HydrophobicContact CB-CG2 4.12Å |
| 506 | R | 78.1 | Confident | 69.1 | Low | 31 Ų | 31 | 63.9 Ų | 63.9 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | trans | -139.7 | 158.4 | 174.4 | 55.4 | 176.6 | -179.6 | 178.9 | -8.8 | 109.7 | W484 S485 W487 E522 A523 S524 | W484-R506 HydrophobicContact CD2-CG 3.97Å; W484-R506 HydrophobicContact CE3-CB 4.13Å; W484-R506 HydrophobicContact CE3-CG 3.48Å; W484-R506 VanDerWaalsContact CE3-CG 3.48Å; W484-R506 HydrophobicContact CG-CG 4.5Å; W484-R506 HydrophobicContact CZ3-CG 4.02Å; S485-R506 WeakPolarHBondContact O-CB 3.44Å; S485-R506 WeakPolarHBondContact OG-CA 3.47Å; W487-R506 HydrophobicContact CD2-CB 4.2Å; W487-R506 HydrophobicContact CD2-CG 3.93Å; W487-R506 HydrophobicContact CE3-CB 3.95Å; W487-R506 HydrophobicContact CE3-CG 3.66Å; W487-R506 HydrophobicContact CH2-CG 3.82Å; W487-R506 HydrophobicContact CZ2-CG 4.09Å; W487-R506 HydrophobicContact CZ3-CB 4.34Å; W487-R506 HydrophobicContact CZ3-CG 3.61Å; R506-E522 IonicContact CZ-OE2 2.81Å; R506-E522 IonicContact NH1-OE2 3.15Å; R506-E522 PolarHBondContact NH1-OE2 3.28Å; R506-E522 IonicContact NH2-OE2 3.1Å; R506-E522 PolarHBondContact NH2-OE2 2.68Å; R506-A523 PolarHBondContact NE-O 3.01Å; R506-A523 VanDerWaalsContact NE-O 3.14Å; R506-A523 PolarHBondContact NH2-O 3.21Å; R506-S524 PolarHBondContact N-O 3.28Å; R506-S524 WeakPolarHBondContact O-CB 3.48Å | ||
| 507 | K | 66.6 | Low | 68.5 | Low | 142 Ų | 142 | 58 Ų | 58 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | trans | -115.7 | 154.9 | -178.7 | -68.9 | -178.3 | 177.8 | -177.2 | 0 | 110.5 | W484 S485 D509 | W484-K507 CarbonylContact C-O 3.47Å; W484-K507 VanDerWaalsContact CE3-C 3.47Å; S485-K507 WeakPolarHBondContact CB-O 3.02Å; S485-K507 PolarHBondContact N-O 3.12Å; S485-K507 PolarHBondContact OG-N 3.15Å; K507-D509 VanDerWaalsContact C-N 3.29Å; K507-D509 HydrophobicContact CB-CB 4.37Å; K507-D509 WeakPolarHBondContact CB-OD2 3.17Å; K507-D509 WeakPolarHBondContact CD-OD2 3.49Å; K507-D509 PolarHBondContact O-N 3.42Å; K507-D509 VanDerWaalsContact O-N 3.16Å | ||
| 508 | C | 66.8 | Low | 68.1 | Low | 20 Ų | 20 | 63.1 Ų | 63.1 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -88 | 70.6 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 109 | D483 W484 P513 C520 | D483-C508 CarbonylContact O-C 3.53Å; W484-C508 HydrophobicContact CE3-CB 4.44Å; W484-C508 HydrophobicContact CZ3-CB 4.17Å; C508-P513 WeakPolarHBondContact O-CD 3.35Å; C508-C520 WeakPolarHBondContact CA-SG 3.45Å; C508-C520 HydrophobicContact CB-CB 3.82Å; C508-C520 WeakPolarHBondContact CB-SG 3.49Å; C508-C520 WeakPolarHBondContact SG-CB 3.01Å; C508-C520 PolarHBondContact SG-N 3.4Å; C508-C520 CovalentContact SG-SG 2.03Å; C508-C520 PolarHBondContact SG-SG 3.43Å |
| 509 | D | 61.1 | Low | 68 | Low | 78 Ų | 78 | 68.9 Ų | 68.9 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | trans | -136.6 | 12.6 | -170.3 | 66 | 19.3 | 0 | 0 | 0 | 115 | D483 S485 K507 P512 | D483-D509 PolarHBondContact O-N 2.76Å; S485-D509 WeakPolarHBondContact CB-OD1 3.5Å; K507-D509 VanDerWaalsContact C-N 3.29Å; K507-D509 HydrophobicContact CB-CB 4.37Å; K507-D509 WeakPolarHBondContact CB-OD2 3.17Å; K507-D509 WeakPolarHBondContact CD-OD2 3.49Å; K507-D509 PolarHBondContact O-N 3.42Å; K507-D509 VanDerWaalsContact O-N 3.16Å; D509-P512 WeakPolarHBondContact O-CD 3.42Å | ||
| 510 | N | 53.5 | Low | 67.9 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -137.2 | 70.3 | -175.9 | -176.3 | 82.8 | 0 | 0 | 0 | 112.7 | D483 | D483-N510 WeakPolarHBondContact CB-O 3.46Å; D483-N510 CarbonylContact O-C 3.56Å; D483-N510 PolarHBondContact O-N 3.44Å |
| 511 | P | 46.3 | Very low | 67.4 | Low | 59 Ų | 59 | 72.9 Ų | 72.9 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | S | Bend | cis | -82.6 | 162 | -2.5 | 34.1 | -35.1 | 0 | 0 | 0 | 112.5 | V480 G482 D483 | V480-P511 HydrophobicContact CG1-CB 4.31Å; V480-P511 HydrophobicContact CG1-CG 3.67Å; G482-P511 WeakPolarHBondContact CA-O 3.37Å; D483-P511 PolarHBondContact N-O 3.25Å |
| 512 | P | 48.5 | Very low | 66.9 | Low | 82 Ų | 82 | 78.6 Ų | 78.6 | 53% | 0.532 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 144.7 | 168.5 | 30.4 | -34 | 0 | 0 | 0 | 110.1 | D509 G514 | D509-P512 WeakPolarHBondContact O-CD 3.42Å; P512-G514 PolarHBondContact O-N 3.23Å |
| 513 | P | 60.4 | Low | 66.4 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 25% | 0.247 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 135.1 | 178.9 | 22.6 | -29.6 | 0 | 0 | 0 | 111.3 | C508 | C508-P513 WeakPolarHBondContact O-CD 3.35Š|
| 514 | G | 61 | Low | 66.3 | Low | 17 Ų | 17 | 77 Ų | 77 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | trans | -71.7 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V480 P512 D516 G517 | V480-G514 PolarHBondContact O-N 3.16Å; P512-G514 PolarHBondContact O-N 3.23Å; G514-D516 VanDerWaalsContact C-N 3.28Å; G514-D516 PolarHBondContact O-N 2.74Å; G514-G517 PolarHBondContact O-N 3.41Å | ||
| 515 | P | 60.1 | Low | 66.3 | Low | 124 Ų | 124 | 75.7 Ų | 75.7 | 81% | 0.805 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.2 | -173.7 | -26.5 | 35.5 | 0 | 0 | 0 | 114.8 | ||
| 516 | D | 62.8 | Low | 66.5 | Low | 116 Ų | 116 | 73.8 Ų | 73.8 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 6.9 | 177.4 | -62.7 | -49.9 | 0 | 0 | 0 | 113 | H479 G514 | H479-D516 PolarHBondContact CD2-O 2.71Å; H479-D516 PolarHBondContact NE2-O 3.24Å; G514-D516 VanDerWaalsContact C-N 3.28Å; G514-D516 PolarHBondContact O-N 2.74Å |
| 517 | G | 61.7 | Low | 66.6 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 146.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V480 G514 | V480-G517 WeakPolarHBondContact O-CA 3.4Å; G514-G517 PolarHBondContact O-N 3.41Å |
| 518 | Q | 64.3 | Low | 67.3 | Low | 140 Ų | 140 | 72.5 Ų | 72.5 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -67 | 140.4 | 178.2 | -62.3 | -173.2 | 27.1 | 0 | 0 | 111.6 | D481 G482 | D481-Q518 HydrophobicContact CB-CB 4.36Å; D481-Q518 WeakPolarHBondContact OD1-CB 3.37Å; D481-Q518 PolarHBondContact OD1-N 3.06Å; G482-Q518 PolarHBondContact N-O 2.95Å |
| 519 | H | 74 | Confident | 68 | Low | 141 Ų | 141 | 72.5 Ų | 72.5 | 65% | 0.653 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -78 | 146.3 | 174.6 | -148.6 | 79.8 | 0 | 0 | 0 | 110.6 | ||
| 520 | C | 79.2 | Confident | 68.9 | Low | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 128.2 | -172.5 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | G482 D483 W484 C508 E522 | G482-C520 PolarHBondContact O-SG 2.96Å; D483-C520 VanDerWaalsContact CA-SG 3.5Å; W484-C520 HydrophobicContact CD2-CB 3.84Å; W484-C520 HydrophobicContact CE3-CB 4.35Å; W484-C520 HydrophobicContact CG-CB 4.36Å; W484-C520 HydrophobicContact CH2-CB 3.81Å; W484-C520 HydrophobicContact CZ2-CB 3.24Å; W484-C520 HydrophobicContact CZ3-CB 4.35Å; C508-C520 WeakPolarHBondContact CA-SG 3.45Å; C508-C520 HydrophobicContact CB-CB 3.82Å; C508-C520 WeakPolarHBondContact CB-SG 3.49Å; C508-C520 WeakPolarHBondContact SG-CB 3.01Å; C508-C520 PolarHBondContact SG-N 3.4Å; C508-C520 CovalentContact SG-SG 2.03Å; C508-C520 PolarHBondContact SG-SG 3.43Å; C520-E522 PolarHBondContact O-N 3.31Å |
| 521 | P | 69.8 | Low | 70.1 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 81% | 0.812 | 42% | 0.417 | S | S | * | . | trans | -81.9 | -9.5 | -163 | 30 | -37.2 | 0 | 0 | 0 | 116.2 | ||||
| 522 | E | 72.6 | Confident | 71.2 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -103.7 | -176.4 | -175 | -63.8 | -167.2 | 142.5 | 0 | 0 | 113.2 | W484 R506 C520 | W484-E522 HydrophobicContact CZ2-CB 4.5Å; W484-E522 WeakPolarHBondContact CZ2-O 3.06Å; R506-E522 IonicContact CZ-OE2 2.81Å; R506-E522 IonicContact NH1-OE2 3.15Å; R506-E522 PolarHBondContact NH1-OE2 3.28Å; R506-E522 IonicContact NH2-OE2 3.1Å; R506-E522 PolarHBondContact NH2-OE2 2.68Å; C520-E522 PolarHBondContact O-N 3.31Å |
| 523 | A | 71.4 | Confident | 72.4 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | trans | -74.6 | 135.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W487 R506 V525 | W487-A523 WeakPolarHBondContact CH2-O 3.08Å; R506-A523 PolarHBondContact NE-O 3.01Å; R506-A523 VanDerWaalsContact NE-O 3.14Å; R506-A523 PolarHBondContact NH2-O 3.21Å; A523-V525 VanDerWaalsContact C-N 3.29Å | ||
| 524 | S | 77.8 | Confident | 73.1 | Confident | 52 Ų | 52 | 80.7 Ų | 80.7 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -74.9 | -12.2 | 170.2 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | Q505 R506 | Q505-S524 CarbonylContact C-O 3.4Å; Q505-S524 VanDerWaalsContact CA-O 3.22Å; Q505-S524 WeakPolarHBondContact CA-O 3.43Å; R506-S524 PolarHBondContact N-O 3.28Å; R506-S524 WeakPolarHBondContact O-CB 3.48Å |
| 525 | V | 78.6 | Confident | 73.7 | Confident | 32 Ų | 32 | 82 Ų | 82 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 122.2 | -177.1 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | F503 R504 Q505 A523 | F503-V525 HydrophobicContact CB-CG1 4.28Å; F503-V525 HydrophobicContact CD2-CG1 4.1Å; R504-V525 WeakPolarHBondContact O-CA 3.4Å; R504-V525 WeakPolarHBondContact O-CG1 3.39Å; Q505-V525 HydrophobicContact CB-CG2 4.12Å; A523-V525 VanDerWaalsContact C-N 3.29Å |
| 526 | E | 81.1 | Confident | 74.5 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 31% | 0.313 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.1 | 178.9 | -172.6 | -171.2 | 161.3 | 0 | 0 | 110.6 | W487 W490 F503 R504 | W487-E526 HydrophobicContact CE3-CB 4.43Å; W487-E526 HydrophobicContact CH2-CB 3.52Å; W487-E526 HydrophobicContact CZ2-CB 4.03Å; W487-E526 HydrophobicContact CZ3-CB 3.74Å; W490-E526 HydrophobicContact CH2-CB 4.46Å; W490-E526 HydrophobicContact CH2-CG 3.99Å; F503-E526 CarbonylContact C-O 3.49Å; F503-E526 WeakPolarHBondContact CA-O 3.44Å; F503-E526 WeakPolarHBondContact CB-O 3.01Å; R504-E526 HydrophobicContact CG-CB 4.09Å; R504-E526 IonicContact CZ-OE2 2.68Å; R504-E526 PolarHBondContact N-O 2.92Å; R504-E526 IonicContact NE-OE1 3.26Å; R504-E526 IonicContact NE-OE2 2.71Å; R504-E526 PolarHBondContact NE-OE2 2.89Å; R504-E526 IonicContact NH2-OE1 3.85Å; R504-E526 PolarHBondContact NH2-OE1 3.48Å; R504-E526 IonicContact NH2-OE2 3.11Å; R504-E526 PolarHBondContact NH2-OE2 3.43Å; R504-E526 PolarHBondContact O-N 2.71Å |
| 527 | H | 80.4 | Confident | 74.8 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.7 | -175 | -55.2 | 67.5 | 0 | 0 | 0 | 109.8 | V501 Q502 I608 I621 | V501-H527 HydrophobicContact CG1-CB 3.94Å; Q502-H527 CarbonylContact O-C 3.6Å; Q502-H527 WeakPolarHBondContact O-CA 3.22Å; H527-I608 HydrophobicContact CB-CD1 4.43Å; H527-I608 HydrophobicContact CB-CG2 4.46Å; H527-I621 HydrophobicContact CB-CD1 4.24Å |
| 528 | K | 81.5 | Confident | 74.9 | Confident | 113 Ų | 113 | 86.7 Ų | 86.7 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.1 | 179.6 | -177.9 | 179.9 | 177.7 | -178.1 | 0 | 110.2 | W490 V501 Q502 I621 | W490-K528 HydrophobicContact CE3-CB 4.14Å; W490-K528 HydrophobicContact CH2-CB 3.51Å; W490-K528 HydrophobicContact CH2-CD 4.38Å; W490-K528 HydrophobicContact CZ2-CB 4.14Å; W490-K528 HydrophobicContact CZ2-CD 4.15Å; W490-K528 HydrophobicContact CZ3-CB 3.5Å; V501-K528 CarbonylContact C-O 3.59Å; V501-K528 WeakPolarHBondContact CA-O 3.27Å; Q502-K528 PolarHBondContact N-O 2.9Å; Q502-K528 PolarHBondContact O-N 3.39Å; K528-I621 VanDerWaalsContact C-CD1 3.48Å |
| 529 | A | 81.2 | Confident | 75.1 | Confident | 19 Ų | 19 | 82.6 Ų | 82.6 | 16% | 0.157 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | T499 G500 G619 I621 | T499-A529 HydrophobicContact CG2-CB 4.5Å; G500-A529 WeakPolarHBondContact O-CA 2.97Å; A529-G619 WeakPolarHBondContact CB-O 3.14Å; A529-I621 HydrophobicContact CB-CD1 4.22Å; A529-I621 HydrophobicContact CB-CG1 4.18Å |
| 530 | C | 81.1 | Confident | 74.9 | Confident | 14 Ų | 14 | 79.2 Ų | 79.2 | 10% | 0.095 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.3 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | C493 T499 G500 V501 Q502 | C493-C530 WeakPolarHBondContact CA-SG 3.02Å; C493-C530 HydrophobicContact CB-CB 3.82Å; C493-C530 WeakPolarHBondContact CB-SG 3.09Å; C493-C530 WeakPolarHBondContact SG-CB 3.31Å; C493-C530 CovalentContact SG-SG 2.02Å; C493-C530 PolarHBondContact SG-SG 3.31Å; T499-C530 WeakPolarHBondContact CA-O 3.4Å; G500-C530 PolarHBondContact N-O 3.26Å; G500-C530 PolarHBondContact O-N 3.42Å; G500-C530 PolarHBondContact O-SG 3.28Å; G500-C530 VanDerWaalsContact O-SG 3.41Å; V501-C530 VanDerWaalsContact C-SG 3.53Å; V501-C530 PolarHBondContact N-SG 3.18Å; V501-C530 VanDerWaalsContact N-SG 3.37Å; Q502-C530 HydrophobicContact CG-CB 4.04Å |
| 531 | Q | 77.5 | Confident | 74.7 | Confident | 176 Ų | 176 | 81 Ų | 81 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 112 | -172.2 | -167.4 | 170.4 | 8.4 | 0 | 0 | 110.2 | ||
| 532 | G | 70.8 | Confident | 75.1 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 31% | 0.309 | 45% | 0.45 | S | S | . | . | trans | -93.9 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G498 | G498-G532 PolarHBondContact O-N 2.02Š| ||
| 533 | Q | 73.3 | Confident | 75.5 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 76% | 0.762 | 42% | 0.423 | S | S | * | . | B | Isolated β-bridge | trans | -61.7 | 152.1 | 172.9 | -68.4 | -177.9 | -15.5 | 0 | 0 | 111.1 | C497 G498 C535 | C497-Q533 CarbonylContact C-O 3.5Å; C497-Q533 WeakPolarHBondContact CA-O 3.3Å; C497-Q533 VanDerWaalsContact CB-O 3.25Å; C497-Q533 WeakPolarHBondContact CB-O 3.16Å; G498-Q533 PolarHBondContact N-O 2.93Å; Q533-C535 PolarHBondContact O-N 3.1Å |
| 534 | P | 74.2 | Confident | 75.8 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 80% | 0.799 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 134.7 | 175.6 | -24.3 | 34.3 | 0 | 0 | 0 | 111.8 | ||
| 535 | C | 74.5 | Confident | 75.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 30% | 0.297 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 149.3 | 178 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | C497 Q533 | C497-C535 HydrophobicContact CB-CB 3.99Å; C497-C535 WeakPolarHBondContact CB-SG 3.33Å; C497-C535 PolarHBondContact O-SG 3.24Å; C497-C535 VanDerWaalsContact O-SG 3.35Å; C497-C535 VanDerWaalsContact SG-CA 3.54Å; C497-C535 WeakPolarHBondContact SG-CB 3.1Å; C497-C535 CovalentContact SG-SG 2.05Å; C497-C535 PolarHBondContact SG-SG 3.24Å; Q533-C535 PolarHBondContact O-N 3.1Å |
| 536 | P | 76.9 | Confident | 75.9 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 138.2 | 179.6 | -25.1 | 34.6 | 0 | 0 | 0 | 113.1 | G538 A539 | P536-G538 PolarHBondContact O-N 3.1Å; P536-A539 WeakPolarHBondContact O-CB 3.15Å; P536-A539 PolarHBondContact O-N 3.24Å |
| 537 | K | 68.8 | Low | 75.7 | Confident | 174 Ų | 174 | 67.3 Ų | 67.3 | 76% | 0.757 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 125.5 | 174.4 | -71.2 | -167 | 171.1 | -165.7 | 0 | 109.4 | E703 | K537-E703 IonicContact NZ-OE1 3.99Å; K537-E703 PolarHBondContact NZ-OE1 2.73Å; K537-E703 IonicContact NZ-OE2 3.79Å; K537-E703 PolarHBondContact NZ-OE2 3.21Å |
| 538 | G | 64.6 | Low | 75.5 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 89% | 0.887 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | P536 | P536-G538 PolarHBondContact O-N 3.1Š|
| 539 | A | 67 | Low | 74.9 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 145.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P536 | P536-A539 WeakPolarHBondContact O-CB 3.15Å; P536-A539 PolarHBondContact O-N 3.24Å |
| 540 | P | 70.7 | Confident | 74.1 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -61 | 150.7 | 172.8 | 27.3 | -35.5 | 0 | 0 | 0 | 111 | D544 L545 | P540-D544 HydrophobicContact CB-CB 4.07Å; P540-L545 HydrophobicContact CG-CD2 3.78Å; P540-L545 HydrophobicContact CG-CG 4.13Å |
| 541 | S | 74.4 | Confident | 73.1 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 160.3 | -178.7 | 81.5 | 0 | 0 | 0 | 0 | 111.4 | R543 D544 L545 | S541-R543 PolarHBondContact O-N 3.16Å; S541-R543 VanDerWaalsContact O-N 3.13Å; S541-R543 PolarHBondContact OG-N 3.24Å; S541-D544 WeakPolarHBondContact CB-OD2 3.46Å; S541-D544 PolarHBondContact N-OD2 3.05Å; S541-D544 PolarHBondContact O-N 2.88Å; S541-D544 VanDerWaalsContact O-N 3.07Å; S541-D544 PolarHBondContact OG-N 3.19Å; S541-D544 VanDerWaalsContact OG-N 3.1Å; S541-D544 PolarHBondContact OG-OD2 2.87Å; S541-L545 WeakPolarHBondContact O-CG 3.4Å; S541-L545 PolarHBondContact O-N 3.24Å |
| 542 | F | 78.4 | Confident | 72 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.4 | -20.7 | 175.9 | -174.3 | -112.3 | 0 | 0 | 0 | 113 | S494 R495 Q546 I594 T597 | S494-F542 WeakPolarHBondContact O-CZ 3.44Å; R495-F542 HydrophobicContact CG-CD1 4.18Å; R495-F542 HydrophobicContact CG-CD2 3.88Å; R495-F542 HydrophobicContact CG-CE1 4.12Å; R495-F542 HydrophobicContact CG-CE2 3.82Å; R495-F542 HydrophobicContact CG-CG 4.05Å; R495-F542 HydrophobicContact CG-CZ 3.94Å; F542-Q546 PolarHBondContact O-NE2 3.04Å; F542-I594 HydrophobicContact CE1-CB 4.21Å; F542-I594 HydrophobicContact CE1-CG2 4.2Å; F542-I594 HydrophobicContact CZ-CB 4.38Å; F542-I594 HydrophobicContact CZ-CG2 4.11Å; F542-T597 HydrophobicContact CD1-CG2 4.29Å; F542-T597 WeakPolarHBondContact CD1-OG1 3.08Å; F542-T597 WeakPolarHBondContact CE1-OG1 3.31Å |
| 543 | R | 80.9 | Confident | 71.1 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.015 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -81.6 | -38.3 | 172.8 | -160.6 | -177.5 | -80.9 | -143.9 | -4.2 | 111.7 | S541 L545 Q546 C547 A564 P573 L576 V593 T597 S598 C599 | S541-R543 PolarHBondContact O-N 3.16Å; S541-R543 VanDerWaalsContact O-N 3.13Å; S541-R543 PolarHBondContact OG-N 3.24Å; R543-L545 VanDerWaalsContact C-N 3.34Å; R543-Q546 WeakPolarHBondContact O-CB 2.77Å; R543-Q546 PolarHBondContact O-N 2.89Å; R543-C547 PolarHBondContact O-N 2.68Å; R543-A564 HydrophobicContact CB-CB 3.85Å; R543-A564 HydrophobicContact CG-CB 3.54Å; R543-P573 VanDerWaalsContact CZ-O 3.27Å; R543-P573 PolarHBondContact NH1-O 3.3Å; R543-P573 PolarHBondContact NH2-O 3.07Å; R543-L576 HydrophobicContact CG-CD1 3.84Å; R543-V593 HydrophobicContact CG-CG1 4.43Å; R543-T597 HydrophobicContact CB-CG2 3.74Å; R543-T597 HydrophobicContact CG-CG2 3.94Å; R543-S598 PolarHBondContact NH2-O 3.41Å; R543-C599 PolarHBondContact NH2-O 2.86Å |
| 544 | D | 78 | Confident | 70.1 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 17% | 0.166 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173 | -59.1 | -54.7 | 0 | 0 | 0 | 111.7 | P540 S541 Q546 C547 L548 A564 | P540-D544 HydrophobicContact CB-CB 4.07Å; S541-D544 WeakPolarHBondContact CB-OD2 3.46Å; S541-D544 PolarHBondContact N-OD2 3.05Å; S541-D544 PolarHBondContact O-N 2.88Å; S541-D544 VanDerWaalsContact O-N 3.07Å; S541-D544 PolarHBondContact OG-N 3.19Å; S541-D544 VanDerWaalsContact OG-N 3.1Å; S541-D544 PolarHBondContact OG-OD2 2.87Å; D544-Q546 PolarHBondContact O-N 2.87Å; D544-C547 WeakPolarHBondContact O-CB 3.48Å; D544-C547 PolarHBondContact O-N 3.27Å; D544-C547 VanDerWaalsContact O-N 3.08Å; D544-L548 WeakPolarHBondContact O-CG 2.99Å; D544-L548 PolarHBondContact O-N 3.3Å; D544-A564 WeakPolarHBondContact OD1-CB 3.36Å; D544-A564 PolarHBondContact OD1-N 3.35Å |
| 545 | L | 77.2 | Confident | 69 | Low | 88 Ų | 88 | 73 Ų | 73 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.3 | -33 | 174.7 | -72.6 | 173.4 | 0 | 0 | 0 | 112.5 | P540 S541 R543 L548 S549 | P540-L545 HydrophobicContact CG-CD2 3.78Å; P540-L545 HydrophobicContact CG-CG 4.13Å; S541-L545 WeakPolarHBondContact O-CG 3.4Å; S541-L545 PolarHBondContact O-N 3.24Å; R543-L545 VanDerWaalsContact C-N 3.34Å; L545-L548 HydrophobicContact CD2-CD1 4.47Å; L545-S549 PolarHBondContact O-N 2.87Å; L545-S549 VanDerWaalsContact O-N 3.09Å |
| 546 | Q | 80.9 | Confident | 67.8 | Low | 12 Ų | 12 | 80.5 Ų | 80.5 | 6% | 0.056 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 172.1 | -72.7 | 163.8 | 73.6 | 0 | 0 | 110.7 | F542 R543 D544 L548 S549 Y550 L576 I594 T597 | F542-Q546 PolarHBondContact O-NE2 3.04Å; R543-Q546 WeakPolarHBondContact O-CB 2.77Å; R543-Q546 PolarHBondContact O-N 2.89Å; D544-Q546 PolarHBondContact O-N 2.87Å; Q546-L548 VanDerWaalsContact C-N 3.31Å; Q546-L548 PolarHBondContact O-N 3.27Å; Q546-S549 PolarHBondContact O-N 2.85Å; Q546-S549 VanDerWaalsContact O-N 3.15Å; Q546-S549 PolarHBondContact O-OG 3.08Å; Q546-Y550 WeakPolarHBondContact O-CD2 3.37Å; Q546-Y550 PolarHBondContact O-N 2.81Å; Q546-L576 HydrophobicContact CB-CD1 4.04Å; Q546-L576 HydrophobicContact CB-CD2 3.92Å; Q546-I594 HydrophobicContact CG-CD1 3.94Å; Q546-I594 HydrophobicContact CG-CG1 4.36Å; Q546-T597 PolarHBondContact NE2-OG1 3.04Å |
| 547 | C | 78.3 | Confident | 66.3 | Low | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.5 | -43 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 113.3 | R543 D544 S549 Y550 D551 L562 C578 | R543-C547 PolarHBondContact O-N 2.68Å; D544-C547 WeakPolarHBondContact O-CB 3.48Å; D544-C547 PolarHBondContact O-N 3.27Å; D544-C547 VanDerWaalsContact O-N 3.08Å; C547-S549 VanDerWaalsContact C-N 3.33Å; C547-S549 PolarHBondContact O-N 3.26Å; C547-Y550 PolarHBondContact O-N 3.21Å; C547-D551 PolarHBondContact O-N 3.39Å; C547-L562 HydrophobicContact CB-CB 4.1Å; C547-C578 WeakPolarHBondContact CA-SG 3.24Å; C547-C578 HydrophobicContact CB-CB 3.8Å; C547-C578 WeakPolarHBondContact CB-SG 3.44Å; C547-C578 WeakPolarHBondContact SG-CB 3.48Å; C547-C578 CovalentContact SG-SG 2.03Å; C547-C578 PolarHBondContact SG-SG 3.3Å |
| 548 | L | 74.4 | Confident | 65.1 | Low | 59 Ų | 59 | 89 Ų | 89 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -30.3 | 178.7 | -68.9 | 168.3 | 0 | 0 | 0 | 113.3 | D544 L545 Q546 D551 V561 | D544-L548 WeakPolarHBondContact O-CG 2.99Å; D544-L548 PolarHBondContact O-N 3.3Å; L545-L548 HydrophobicContact CD2-CD1 4.47Å; Q546-L548 VanDerWaalsContact C-N 3.31Å; Q546-L548 PolarHBondContact O-N 3.27Å; L548-D551 PolarHBondContact O-N 3.42Å; L548-V561 HydrophobicContact CD2-CG1 4.38Å |
| 549 | S | 69.8 | Low | 64.5 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68 | -35.9 | 175.6 | 70.7 | 0 | 0 | 0 | 0 | 113 | L545 Q546 C547 Q552 | L545-S549 PolarHBondContact O-N 2.87Å; L545-S549 VanDerWaalsContact O-N 3.09Å; Q546-S549 PolarHBondContact O-N 2.85Å; Q546-S549 VanDerWaalsContact O-N 3.15Å; Q546-S549 PolarHBondContact O-OG 3.08Å; C547-S549 VanDerWaalsContact C-N 3.33Å; C547-S549 PolarHBondContact O-N 3.26Å; S549-Q552 PolarHBondContact O-N 3.07Å |
| 550 | Y | 65.3 | Low | 64 | Low | 106 Ų | 106 | 92.4 Ų | 92.4 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.5 | -28.5 | 176.7 | -78.5 | -76.9 | 0 | 0 | 0 | 113.2 | Q546 C547 Q552 H553 A554 L576 M589 | Q546-Y550 WeakPolarHBondContact O-CD2 3.37Å; Q546-Y550 PolarHBondContact O-N 2.81Å; C547-Y550 PolarHBondContact O-N 3.21Å; Y550-Q552 VanDerWaalsContact C-N 3.27Å; Y550-Q552 PolarHBondContact O-N 3.31Å; Y550-H553 PolarHBondContact O-N 3.21Å; Y550-A554 PolarHBondContact O-N 3.04Å; Y550-L576 HydrophobicContact CD2-CD2 3.91Å; Y550-L576 HydrophobicContact CE2-CD2 3.73Å; Y550-M589 HydrophobicContact CD2-CB 4.44Å |
| 551 | D | 60.1 | Low | 63.6 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 34% | 0.342 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 174.7 | -157.9 | 43.5 | 0 | 0 | 0 | 111.9 | C547 L548 H553 A554 L562 | C547-D551 PolarHBondContact O-N 3.39Å; L548-D551 PolarHBondContact O-N 3.42Å; D551-H553 VanDerWaalsContact C-N 3.33Å; D551-H553 PolarHBondContact O-N 3.48Å; D551-A554 PolarHBondContact O-N 3.18Å; D551-L562 HydrophobicContact CB-CD1 4.1Å |
| 552 | Q | 53.6 | Low | 63.3 | Low | 165 Ų | 165 | 92.3 Ų | 92.3 | 77% | 0.771 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.4 | -30.7 | 177.7 | -64.3 | -170.8 | -3.6 | 0 | 0 | 113.5 | S549 Y550 | S549-Q552 PolarHBondContact O-N 3.07Å; Y550-Q552 VanDerWaalsContact C-N 3.27Å; Y550-Q552 PolarHBondContact O-N 3.31Å |
| 553 | H | 51.4 | Low | 63 | Low | 173 Ų | 173 | 92.9 Ų | 92.9 | 80% | 0.801 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.1 | -22.8 | 175.9 | -76.1 | -87.3 | 0 | 0 | 0 | 112.6 | Y550 D551 S555 | Y550-H553 PolarHBondContact O-N 3.21Å; D551-H553 VanDerWaalsContact C-N 3.33Å; D551-H553 PolarHBondContact O-N 3.48Å; H553-S555 VanDerWaalsContact C-N 3.3Å; H553-S555 PolarHBondContact O-N 3.43Å |
| 554 | A | 52.1 | Low | 62.6 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | trans | -90.1 | 44.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y550 D551 K556 | Y550-A554 PolarHBondContact O-N 3.04Å; D551-A554 PolarHBondContact O-N 3.18Å; A554-K556 VanDerWaalsContact C-N 3.3Å; A554-K556 PolarHBondContact O-N 3.24Å | ||
| 555 | S | 51 | Low | 62.5 | Low | 106 Ų | 106 | 96 Ų | 96 | 74% | 0.741 | 49% | 0.491 | S | S | * | . | trans | -69.5 | 77.8 | -174.6 | -166.6 | 0 | 0 | 0 | 0 | 113.6 | H553 | H553-S555 VanDerWaalsContact C-N 3.3Å; H553-S555 PolarHBondContact O-N 3.43Å | ||
| 556 | K | 49.3 | Very low | 62 | Low | 200 Ų | 200 | 93.7 Ų | 93.7 | 87% | 0.87 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -174.1 | 46.1 | 158.9 | -107.6 | 171 | -168.7 | -179.8 | 0 | 114.1 | A554 | A554-K556 VanDerWaalsContact C-N 3.3Å; A554-K556 PolarHBondContact O-N 3.24Å |
| 557 | R | 46.6 | Very low | 61.1 | Low | 247 Ų | 247 | 97.1 Ų | 97.1 | 93% | 0.932 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -153.5 | 144.7 | 156.8 | -118 | 174.3 | -88 | -160.2 | -0.1 | 111.5 | G559 | R557-G559 PolarHBondContact O-N 3.38Š|
| 558 | K | 42.2 | Very low | 60 | Low | 203 Ų | 203 | 103.3 Ų | 103.3 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | trans | -70.7 | 121.8 | -170.8 | -77.7 | 178.4 | 173.1 | 178.8 | 0 | 112.6 | R560 | K558-R560 PolarHBondContact O-N 3.12Š| ||
| 559 | G | 52.1 | Low | 58.9 | Low | 81 Ų | 81 | 104.1 Ų | 104.1 | 84% | 0.835 | 55% | 0.553 | S | S | * | * | trans | 48.5 | 61.5 | 138 | 0 | 0 | 0 | 0 | 0 | 117 | R557 | R557-G559 PolarHBondContact O-N 3.38Š| ||
| 560 | R | 56.8 | Low | 58 | Low | 130 Ų | 130 | 103.4 Ų | 103.4 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | trans | -123 | 115 | 166.6 | -74.4 | -176.8 | 169.9 | -156 | -5.3 | 108.9 | K558 L562 P580 H583 | K558-R560 PolarHBondContact O-N 3.12Å; R560-L562 PolarHBondContact O-N 3.49Å; R560-L562 VanDerWaalsContact O-N 3.16Å; R560-P580 HydrophobicContact CB-CB 4.19Å; R560-H583 PolarHBondContact NH1-CD2 3.19Å; R560-H583 PolarHBondContact NH2-NE2 3.25Å | ||
| 561 | V | 62.1 | Low | 57.7 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 58% | 0.582 | 57% | 0.574 | S | S | * | * | trans | -60.1 | 120.3 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | L548 V581 | L548-V561 HydrophobicContact CD2-CG1 4.38Å; V561-V581 HydrophobicContact CB-CG2 4.25Å; V561-V581 HydrophobicContact CG1-CG2 4.33Å; V561-V581 PolarHBondContact O-N 2.76Å; V561-V581 VanDerWaalsContact O-N 3.13Å | ||
| 562 | L | 69.7 | Low | 58.1 | Low | 19 Ų | 19 | 109.7 Ų | 109.7 | 10% | 0.099 | 59% | 0.585 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.5 | 174.4 | -67.3 | 175.5 | 0 | 0 | 0 | 109.2 | C547 D551 R560 C578 S579 P580 M589 | C547-L562 HydrophobicContact CB-CB 4.1Å; D551-L562 HydrophobicContact CB-CD1 4.1Å; R560-L562 PolarHBondContact O-N 3.49Å; R560-L562 VanDerWaalsContact O-N 3.16Å; L562-C578 HydrophobicContact CB-CB 4.47Å; L562-S579 WeakPolarHBondContact CA-O 3.47Å; L562-P580 HydrophobicContact CD2-CB 4.35Å; L562-P580 HydrophobicContact CD2-CG 4.28Å; L562-M589 HydrophobicContact CD1-CE 4.19Å |
| 563 | T | 71.8 | Confident | 59.1 | Low | 47 Ų | 47 | 104 Ų | 104 | 29% | 0.288 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 147.2 | 174.9 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | F565 C578 S579 V581 | T563-F565 PolarHBondContact O-N 2.9Å; T563-C578 WeakPolarHBondContact O-CA 3.22Å; T563-S579 PolarHBondContact N-O 3.03Å; T563-S579 PolarHBondContact O-N 2.94Å; T563-S579 PolarHBondContact OG1-O 2.97Å; T563-V581 HydrophobicContact CG2-CG2 3.63Å |
| 564 | A | 72.9 | Confident | 60.7 | Low | 21 Ų | 21 | 95.7 Ų | 95.7 | 17% | 0.174 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R543 D544 F577 | R543-A564 HydrophobicContact CB-CB 3.85Å; R543-A564 HydrophobicContact CG-CB 3.54Å; D544-A564 WeakPolarHBondContact OD1-CB 3.36Å; D544-A564 PolarHBondContact OD1-N 3.35Å; A564-F577 WeakPolarHBondContact CA-O 3.49Å |
| 565 | F | 74.9 | Confident | 62.1 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.5 | 172.7 | -173.6 | -102.7 | 0 | 0 | 0 | 109.4 | T563 N567 F577 P586 | T563-F565 PolarHBondContact O-N 2.9Å; F565-N567 HydrophobicContact CD1-CB 4.26Å; F565-N567 HydrophobicContact CE1-CB 3.73Å; F565-F577 HydrophobicContact CB-CB 4.32Å; F565-F577 PolarHBondContact N-O 3.12Å; F565-P586 HydrophobicContact CB-CB 4.03Å; F565-P586 HydrophobicContact CD1-CB 3.8Å; F565-P586 HydrophobicContact CD1-CG 3.82Å; F565-P586 HydrophobicContact CE1-CG 4.12Å; F565-P586 HydrophobicContact CG-CB 4.08Å; F565-P586 HydrophobicContact CG-CG 4.47Å |
| 566 | I | 66.8 | Low | 63.6 | Low | 40 Ų | 40 | 89.6 Ų | 89.6 | 21% | 0.205 | 47% | 0.474 | C | S | . | . | trans | -111.8 | 113.9 | 173.1 | -52 | -173.9 | 0 | 0 | 0 | 106.8 | D568 | I566-D568 PolarHBondContact O-N 3.05Š| ||
| 567 | N | 62.2 | Low | 65.2 | Low | 85 Ų | 85 | 82.4 Ų | 82.4 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | trans | -87.9 | 93.3 | 177.5 | -163.3 | -3.1 | 0 | 0 | 0 | 108.9 | F565 G569 A570 | F565-N567 HydrophobicContact CD1-CB 4.26Å; F565-N567 HydrophobicContact CE1-CB 3.73Å; N567-G569 PolarHBondContact O-N 3.03Å; N567-A570 HydrophobicContact CB-CB 4.06Å; N567-A570 PolarHBondContact O-N 3.15Å | ||
| 568 | D | 54.5 | Low | 66.9 | Low | 129 Ų | 129 | 70.6 Ų | 70.6 | 69% | 0.69 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.4 | -173.6 | -73.4 | -21.9 | 0 | 0 | 0 | 114.2 | I566 | I566-D568 PolarHBondContact O-N 3.05Š|
| 569 | G | 52.1 | Low | 68.6 | Low | 76 Ų | 76 | 61.6 Ų | 61.6 | 78% | 0.784 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 7.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N567 | N567-G569 PolarHBondContact O-N 3.03Š|
| 570 | A | 51.1 | Low | 69.7 | Low | 41 Ų | 41 | 58.8 Ų | 58.8 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -104.9 | 138.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N567 K572 | N567-A570 HydrophobicContact CB-CB 4.06Å; N567-A570 PolarHBondContact O-N 3.15Å; A570-K572 PolarHBondContact O-N 3.13Å |
| 571 | D | 59 | Low | 70 | Confident | 169 Ų | 169 | 57.4 Ų | 57.4 | 90% | 0.904 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -55.6 | -5.4 | -175.7 | -73.4 | -48.5 | 0 | 0 | 0 | 116.9 | ||
| 572 | K | 67.4 | Low | 69.9 | Low | 133 Ų | 133 | 56.2 Ų | 56.2 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | trans | -140.9 | 72.9 | -172.7 | -63.9 | -176.7 | -175.2 | 177.1 | 0 | 112.1 | A570 C574 M575 | A570-K572 PolarHBondContact O-N 3.13Å; K572-C574 PolarHBondContact O-N 3.37Å; K572-M575 HydrophobicContact CB-CE 3.66Å; K572-M575 HydrophobicContact CB-CG 4.01Å; K572-M575 HydrophobicContact CB-SD 3.81Å; K572-M575 HydrophobicContact CD-CE 4.21Å; K572-M575 HydrophobicContact CD-SD 3.74Å; K572-M575 HydrophobicContact CG-SD 4.43Å; K572-M575 PolarHBondContact O-N 2.89Å | ||
| 573 | P | 74.6 | Confident | 69.4 | Low | 45 Ų | 45 | 61.7 Ų | 61.7 | 29% | 0.292 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -1.9 | -178 | 28.6 | -37.2 | 0 | 0 | 0 | 114.8 | R543 C612 | R543-P573 VanDerWaalsContact CZ-O 3.27Å; R543-P573 PolarHBondContact NH1-O 3.3Å; R543-P573 PolarHBondContact NH2-O 3.07Å; P573-C612 HydrophobicContact CG-CB 4.12Å |
| 574 | C | 84.6 | Confident | 68.7 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 15.6 | -176.3 | -67.1 | 0 | 0 | 0 | 0 | 114.8 | K572 K592 V593 C607 G610 | K572-C574 PolarHBondContact O-N 3.37Å; C574-K592 WeakPolarHBondContact O-CA 3.12Å; C574-V593 HydrophobicContact CB-CG2 4.32Å; C574-V593 WeakPolarHBondContact O-CG2 3.46Å; C574-V593 PolarHBondContact O-N 3.29Å; C574-C607 WeakPolarHBondContact CA-SG 3Å; C574-C607 HydrophobicContact CB-CB 3.64Å; C574-C607 WeakPolarHBondContact CB-SG 2.97Å; C574-C607 WeakPolarHBondContact SG-CA 3.26Å; C574-C607 WeakPolarHBondContact SG-CB 3.27Å; C574-C607 CovalentContact SG-SG 2.03Å; C574-C607 PolarHBondContact SG-SG 3.46Å; C574-G610 WeakPolarHBondContact CB-O 3.46Å |
| 575 | M | 82.6 | Confident | 68.5 | Low | 41 Ų | 41 | 71.5 Ų | 71.5 | 20% | 0.202 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -89.9 | 149.9 | 167.4 | -52.8 | -172.9 | -55.8 | 0 | 0 | 109.4 | K572 F577 L588 D591 | K572-M575 HydrophobicContact CB-CE 3.66Å; K572-M575 HydrophobicContact CB-CG 4.01Å; K572-M575 HydrophobicContact CB-SD 3.81Å; K572-M575 HydrophobicContact CD-CE 4.21Å; K572-M575 HydrophobicContact CD-SD 3.74Å; K572-M575 HydrophobicContact CG-SD 4.43Å; K572-M575 PolarHBondContact O-N 2.89Å; M575-F577 HydrophobicContact CB-CD2 4.37Å; M575-F577 HydrophobicContact CB-CE2 3.96Å; M575-F577 HydrophobicContact CE-CE2 3.6Å; M575-F577 HydrophobicContact CE-CZ 3.76Å; M575-F577 PolarHBondContact O-N 3.18Å; M575-L588 HydrophobicContact CB-CD1 4.03Å; M575-D591 WeakPolarHBondContact CG-O 3.43Å |
| 576 | L | 82 | Confident | 68.3 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 97.8 | -178.8 | -174.2 | 65.1 | 0 | 0 | 0 | 110.4 | R543 Q546 Y550 M589 A590 V593 | R543-L576 HydrophobicContact CG-CD1 3.84Å; Q546-L576 HydrophobicContact CB-CD1 4.04Å; Q546-L576 HydrophobicContact CB-CD2 3.92Å; Y550-L576 HydrophobicContact CD2-CD2 3.91Å; Y550-L576 HydrophobicContact CE2-CD2 3.73Å; L576-M589 HydrophobicContact CD2-CB 4.1Å; L576-M589 HydrophobicContact CG-CB 4.29Å; L576-M589 PolarHBondContact O-N 2.99Å; L576-A590 HydrophobicContact CB-CB 4Å; L576-A590 HydrophobicContact CD2-CB 4.28Å; L576-A590 PolarHBondContact N-O 2.85Å; L576-A590 PolarHBondContact O-N 3.46Å; L576-V593 HydrophobicContact CB-CG1 3.89Å; L576-V593 HydrophobicContact CD1-CG1 4.07Å |
| 577 | F | 82.9 | Confident | 68.8 | Low | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.211 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.8 | 167.9 | -69.3 | -79.7 | 0 | 0 | 0 | 110.5 | A564 F565 M575 P586 V587 L588 | A564-F577 WeakPolarHBondContact CA-O 3.49Å; F565-F577 HydrophobicContact CB-CB 4.32Å; F565-F577 PolarHBondContact N-O 3.12Å; M575-F577 HydrophobicContact CB-CD2 4.37Å; M575-F577 HydrophobicContact CB-CE2 3.96Å; M575-F577 HydrophobicContact CE-CE2 3.6Å; M575-F577 HydrophobicContact CE-CZ 3.76Å; M575-F577 PolarHBondContact O-N 3.18Å; F577-P586 HydrophobicContact CB-CB 4.1Å; F577-P586 HydrophobicContact CD1-CB 4.24Å; F577-P586 HydrophobicContact CG-CB 4.49Å; F577-V587 WeakPolarHBondContact CA-O 3.44Å; F577-L588 HydrophobicContact CD1-CB 4.09Å; F577-L588 HydrophobicContact CD1-CD1 4.25Å; F577-L588 HydrophobicContact CE1-CB 3.81Å; F577-L588 HydrophobicContact CE1-CD1 3.93Å; F577-L588 HydrophobicContact CE1-CG 4.42Å; F577-L588 HydrophobicContact CE2-CD1 4.36Å; F577-L588 HydrophobicContact CZ-CD1 3.99Å |
| 578 | C | 82.4 | Confident | 69.5 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.8 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | C547 L562 T563 V587 M589 | C547-C578 WeakPolarHBondContact CA-SG 3.24Å; C547-C578 HydrophobicContact CB-CB 3.8Å; C547-C578 WeakPolarHBondContact CB-SG 3.44Å; C547-C578 WeakPolarHBondContact SG-CB 3.48Å; C547-C578 CovalentContact SG-SG 2.03Å; C547-C578 PolarHBondContact SG-SG 3.3Å; L562-C578 HydrophobicContact CB-CB 4.47Å; T563-C578 WeakPolarHBondContact O-CA 3.22Å; C578-V587 PolarHBondContact N-O 3.42Å; C578-V587 PolarHBondContact O-N 3.37Å; C578-M589 HydrophobicContact CB-CE 4.09Å; C578-M589 HydrophobicContact CB-CG 3.72Å; C578-M589 WeakPolarHBondContact SG-CG 3.41Å |
| 579 | S | 79.1 | Confident | 70.7 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.2 | 173 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | L562 T563 | L562-S579 WeakPolarHBondContact CA-O 3.47Å; T563-S579 PolarHBondContact N-O 3.03Å; T563-S579 PolarHBondContact O-N 2.94Å; T563-S579 PolarHBondContact OG1-O 2.97Å |
| 580 | P | 73.3 | Confident | 71.8 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 137 | 166.6 | -3.2 | 18.4 | 0 | 0 | 0 | 109.4 | R560 L562 G582 H583 | R560-P580 HydrophobicContact CB-CB 4.19Å; L562-P580 HydrophobicContact CD2-CB 4.35Å; L562-P580 HydrophobicContact CD2-CG 4.28Å; P580-G582 PolarHBondContact O-N 3.14Å; P580-H583 HydrophobicContact CG-CB 4.33Å; P580-H583 PolarHBondContact O-N 3.42Å |
| 581 | V | 64.1 | Low | 73 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 61% | 0.606 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 116.3 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | V561 T563 | V561-V581 HydrophobicContact CB-CG2 4.25Å; V561-V581 HydrophobicContact CG1-CG2 4.33Å; V561-V581 PolarHBondContact O-N 2.76Å; V561-V581 VanDerWaalsContact O-N 3.13Å; T563-V581 HydrophobicContact CG2-CG2 3.63Å |
| 582 | G | 60 | Low | 74.2 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 74% | 0.742 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 14.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | P580 | P580-G582 PolarHBondContact O-N 3.14Š|
| 583 | H | 59.8 | Low | 74.8 | Confident | 133 Ų | 133 | 59.6 Ų | 59.6 | 62% | 0.616 | 34% | 0.342 | S | S | * | . | trans | -128.7 | 130.9 | 168.6 | -82.4 | -94.4 | 0 | 0 | 0 | 111.1 | R560 P580 V585 | R560-H583 PolarHBondContact NH1-CD2 3.19Å; R560-H583 PolarHBondContact NH2-NE2 3.25Å; P580-H583 HydrophobicContact CG-CB 4.33Å; P580-H583 PolarHBondContact O-N 3.42Å; H583-V585 VanDerWaalsContact C-N 3.31Å; H583-V585 PolarHBondContact O-N 2.87Å | ||
| 584 | D | 57.3 | Low | 75.1 | Confident | 163 Ų | 163 | 61.8 Ų | 61.8 | 87% | 0.872 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -79.9 | -0.9 | -171.1 | -61.8 | -41.2 | 0 | 0 | 0 | 115.6 | P586 | D584-P586 WeakPolarHBondContact O-CD 3.44Š|
| 585 | V | 67 | Low | 75.1 | Confident | 112 Ų | 112 | 63.5 Ų | 63.5 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | trans | -99.9 | 103.8 | -177.2 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | H583 | H583-V585 VanDerWaalsContact C-N 3.31Å; H583-V585 PolarHBondContact O-N 2.87Å | ||
| 586 | P | 72.4 | Confident | 74.9 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 138.3 | 175.8 | 29.5 | -34.7 | 0 | 0 | 0 | 111.7 | F565 F577 D584 | F565-P586 HydrophobicContact CB-CB 4.03Å; F565-P586 HydrophobicContact CD1-CB 3.8Å; F565-P586 HydrophobicContact CD1-CG 3.82Å; F565-P586 HydrophobicContact CE1-CG 4.12Å; F565-P586 HydrophobicContact CG-CB 4.08Å; F565-P586 HydrophobicContact CG-CG 4.47Å; F577-P586 HydrophobicContact CB-CB 4.1Å; F577-P586 HydrophobicContact CD1-CB 4.24Å; F577-P586 HydrophobicContact CG-CB 4.49Å; D584-P586 WeakPolarHBondContact O-CD 3.44Å |
| 587 | V | 75.8 | Confident | 75 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.8 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | F577 C578 M589 | F577-V587 WeakPolarHBondContact CA-O 3.44Å; C578-V587 PolarHBondContact N-O 3.42Å; C578-V587 PolarHBondContact O-N 3.37Å; V587-M589 HydrophobicContact CB-CE 4.07Å; V587-M589 HydrophobicContact CG1-CE 4.04Å; V587-M589 HydrophobicContact CG1-SD 4.16Å; V587-M589 PolarHBondContact O-N 3.42Å |
| 588 | L | 78.8 | Confident | 74.9 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.8 | 172.3 | -177.9 | 66.3 | 0 | 0 | 0 | 109.2 | M575 F577 A590 | M575-L588 HydrophobicContact CB-CD1 4.03Å; F577-L588 HydrophobicContact CD1-CB 4.09Å; F577-L588 HydrophobicContact CD1-CD1 4.25Å; F577-L588 HydrophobicContact CE1-CB 3.81Å; F577-L588 HydrophobicContact CE1-CD1 3.93Å; F577-L588 HydrophobicContact CE1-CG 4.42Å; F577-L588 HydrophobicContact CE2-CD1 4.36Å; F577-L588 HydrophobicContact CZ-CD1 3.99Å; L588-A590 WeakPolarHBondContact CD1-O 3.27Å |
| 589 | M | 78.2 | Confident | 74.8 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -28.9 | 178 | -62.6 | -59.2 | -175.1 | 0 | 0 | 112.7 | Y550 L562 L576 C578 V587 | Y550-M589 HydrophobicContact CD2-CB 4.44Å; L562-M589 HydrophobicContact CD1-CE 4.19Å; L576-M589 HydrophobicContact CD2-CB 4.1Å; L576-M589 HydrophobicContact CG-CB 4.29Å; L576-M589 PolarHBondContact O-N 2.99Å; C578-M589 HydrophobicContact CB-CE 4.09Å; C578-M589 HydrophobicContact CB-CG 3.72Å; C578-M589 WeakPolarHBondContact SG-CG 3.41Å; V587-M589 HydrophobicContact CB-CE 4.07Å; V587-M589 HydrophobicContact CG1-CE 4.04Å; V587-M589 HydrophobicContact CG1-SD 4.16Å; V587-M589 PolarHBondContact O-N 3.42Å |
| 590 | A | 75.8 | Confident | 74.3 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 142 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L576 L588 K592 | L576-A590 HydrophobicContact CB-CB 4Å; L576-A590 HydrophobicContact CD2-CB 4.28Å; L576-A590 PolarHBondContact N-O 2.85Å; L576-A590 PolarHBondContact O-N 3.46Å; L588-A590 WeakPolarHBondContact CD1-O 3.27Å; A590-K592 PolarHBondContact O-N 2.79Å; A590-K592 VanDerWaalsContact O-N 3.13Å |
| 591 | D | 77 | Confident | 73.6 | Confident | 128 Ų | 128 | 63.7 Ų | 63.7 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64.9 | -15.2 | 178.5 | -59.5 | -40.8 | 0 | 0 | 0 | 113.7 | M575 | M575-D591 WeakPolarHBondContact CG-O 3.43Š|
| 592 | K | 82.7 | Confident | 73.1 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -150.4 | 129 | -179.1 | 173.1 | -177.5 | 170.7 | -157.6 | 0 | 110.6 | C574 A590 D595 | C574-K592 WeakPolarHBondContact O-CA 3.12Å; A590-K592 PolarHBondContact O-N 2.79Å; A590-K592 VanDerWaalsContact O-N 3.13Å; K592-D595 WeakPolarHBondContact CE-OD1 3.42Å; K592-D595 IonicContact NZ-OD1 2.79Å; K592-D595 PolarHBondContact NZ-OD1 2.84Å; K592-D595 IonicContact NZ-OD2 2.68Å; K592-D595 PolarHBondContact NZ-OD2 3.35Å |
| 593 | V | 81.4 | Confident | 73.2 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.7 | 167.1 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | R543 C574 L576 D595 T597 C607 | R543-V593 HydrophobicContact CG-CG1 4.43Å; C574-V593 HydrophobicContact CB-CG2 4.32Å; C574-V593 WeakPolarHBondContact O-CG2 3.46Å; C574-V593 PolarHBondContact O-N 3.29Å; L576-V593 HydrophobicContact CB-CG1 3.89Å; L576-V593 HydrophobicContact CD1-CG1 4.07Å; V593-D595 PolarHBondContact O-N 2.87Å; V593-T597 HydrophobicContact CB-CG2 4.15Å; V593-T597 HydrophobicContact CG2-CG2 4.08Å; V593-C607 HydrophobicContact CG2-CB 3.37Å |
| 594 | I | 81.1 | Confident | 73.4 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 137.4 | 176.5 | -63.5 | 173.8 | 0 | 0 | 0 | 110.4 | F542 Q546 G596 T597 | F542-I594 HydrophobicContact CE1-CB 4.21Å; F542-I594 HydrophobicContact CE1-CG2 4.2Å; F542-I594 HydrophobicContact CZ-CB 4.38Å; F542-I594 HydrophobicContact CZ-CG2 4.11Å; Q546-I594 HydrophobicContact CG-CD1 3.94Å; Q546-I594 HydrophobicContact CG-CG1 4.36Å; I594-G596 PolarHBondContact O-N 2.82Å; I594-T597 WeakPolarHBondContact O-CB 3.1Å; I594-T597 PolarHBondContact O-N 2.95Å; I594-T597 PolarHBondContact O-OG1 3.04Å |
| 595 | D | 82.9 | Confident | 74.5 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.6 | -176.8 | -64.8 | -48.3 | 0 | 0 | 0 | 111.2 | S494 K592 V593 C607 I608 K609 | S494-D595 WeakPolarHBondContact CB-O 3.08Å; S494-D595 PolarHBondContact OG-O 2.81Å; K592-D595 WeakPolarHBondContact CE-OD1 3.42Å; K592-D595 IonicContact NZ-OD1 2.79Å; K592-D595 PolarHBondContact NZ-OD1 2.84Å; K592-D595 IonicContact NZ-OD2 2.68Å; K592-D595 PolarHBondContact NZ-OD2 3.35Å; V593-D595 PolarHBondContact O-N 2.87Å; D595-C607 WeakPolarHBondContact CA-O 3.13Å; D595-I608 VanDerWaalsContact OD1-CA 3.24Å; D595-I608 WeakPolarHBondContact OD1-CA 2.97Å; D595-K609 PolarHBondContact OD1-N 2.6Å |
| 596 | G | 78.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 8.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | V501 I594 C607 | V501-G596 VanDerWaalsContact CG2-CA 3.46Å; I594-G596 PolarHBondContact O-N 2.82Å; G596-C607 PolarHBondContact N-O 2.79Å |
| 597 | T | 84.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -72.2 | 138 | 161.6 | -53 | 0 | 0 | 0 | 0 | 109.9 | F542 R543 Q546 V593 I594 C607 | F542-T597 HydrophobicContact CD1-CG2 4.29Å; F542-T597 WeakPolarHBondContact CD1-OG1 3.08Å; F542-T597 WeakPolarHBondContact CE1-OG1 3.31Å; R543-T597 HydrophobicContact CB-CG2 3.74Å; R543-T597 HydrophobicContact CG-CG2 3.94Å; Q546-T597 PolarHBondContact NE2-OG1 3.04Å; V593-T597 HydrophobicContact CB-CG2 4.15Å; V593-T597 HydrophobicContact CG2-CG2 4.08Å; I594-T597 WeakPolarHBondContact O-CB 3.1Å; I594-T597 PolarHBondContact O-N 2.95Å; I594-T597 PolarHBondContact O-OG1 3.04Å; T597-C607 WeakPolarHBondContact O-CB 3.28Å; T597-C607 PolarHBondContact O-N 3.4Å | ||
| 598 | S | 81.8 | Confident | 76.1 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 142.6 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | R543 D605 | R543-S598 PolarHBondContact NH2-O 3.41Å; S598-D605 WeakPolarHBondContact CA-O 3.4Å |
| 599 | C | 79.5 | Confident | 76.1 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -73.5 | -39.7 | 179.3 | -56 | 0 | 0 | 0 | 0 | 112.7 | R543 D605 C612 | R543-C599 PolarHBondContact NH2-O 2.86Å; C599-D605 HydrophobicContact CB-CB 4.47Å; C599-D605 PolarHBondContact N-O 2.89Å; C599-D605 VanDerWaalsContact SG-C 3.51Å; C599-D605 PolarHBondContact SG-O 3.28Å; C599-D605 VanDerWaalsContact SG-O 3.4Å; C599-C612 HydrophobicContact CB-CB 3.92Å; C599-C612 WeakPolarHBondContact CB-SG 3.31Å; C599-C612 WeakPolarHBondContact SG-CA 3.32Å; C599-C612 WeakPolarHBondContact SG-CB 3.18Å; C599-C612 CovalentContact SG-SG 2.03Å; C599-C612 PolarHBondContact SG-SG 2.04Å |
| 600 | G | 69.7 | Low | 76 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -136.8 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 601 | P | 57.4 | Low | 76.3 | Confident | 77 Ų | 77 | 51 Ų | 51 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -73.7 | -23.6 | -176.1 | 23.3 | -29.2 | 0 | 0 | 0 | 114.6 | ||
| 602 | Y | 54.5 | Low | 76.6 | Confident | 159 Ų | 159 | 47.2 Ų | 47.2 | 62% | 0.624 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -122.9 | -1.4 | -172.6 | -55.2 | -73.6 | 0 | 0 | 0 | 114.9 | D701 | Y602-D701 WeakPolarHBondContact CE1-OD2 3.32Š|
| 603 | E | 60.7 | Low | 76.7 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | trans | -113.3 | 145.3 | -176.9 | -62.2 | -160.7 | 134.1 | 0 | 0 | 111.7 | D605 | E603-D605 PolarHBondContact O-N 2.78Š| ||
| 604 | S | 64.1 | Low | 76.6 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | trans | -80.5 | 6.2 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | I615 | S604-I615 WeakPolarHBondContact O-CD1 3.14Š| ||
| 605 | D | 80.6 | Confident | 76.4 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | trans | -74.4 | 141.4 | -176.2 | -68.4 | 18.9 | 0 | 0 | 0 | 110.4 | S598 C599 E603 K614 | S598-D605 WeakPolarHBondContact CA-O 3.4Å; C599-D605 HydrophobicContact CB-CB 4.47Å; C599-D605 PolarHBondContact N-O 2.89Å; C599-D605 VanDerWaalsContact SG-C 3.51Å; C599-D605 PolarHBondContact SG-O 3.28Å; C599-D605 VanDerWaalsContact SG-O 3.4Å; E603-D605 PolarHBondContact O-N 2.78Å; D605-K614 VanDerWaalsContact CG-CA 3.49Å; D605-K614 WeakPolarHBondContact OD2-CA 3.44Å; D605-K614 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 606 | L | 83.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.3 | -169.7 | -61.1 | -177.8 | 0 | 0 | 0 | 112.2 | T499 V501 K613 I615 | T499-L606 HydrophobicContact CG2-CD1 4.21Å; V501-L606 HydrophobicContact CG2-CD1 3.67Å; L606-K613 PolarHBondContact N-O 2.96Å; L606-K613 PolarHBondContact O-N 3Å; L606-I615 HydrophobicContact CD1-CD1 3.64Å; L606-I615 HydrophobicContact CD1-CG1 4.34Å; L606-I615 HydrophobicContact CG-CD1 3.89Å; L606-I615 HydrophobicContact CG-CG1 4.3Å |
| 607 | C | 85.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 124.7 | 173.1 | -70.2 | 0 | 0 | 0 | 0 | 110.8 | C574 V593 D595 G596 T597 S611 | C574-C607 WeakPolarHBondContact CA-SG 3Å; C574-C607 HydrophobicContact CB-CB 3.64Å; C574-C607 WeakPolarHBondContact CB-SG 2.97Å; C574-C607 WeakPolarHBondContact SG-CA 3.26Å; C574-C607 WeakPolarHBondContact SG-CB 3.27Å; C574-C607 CovalentContact SG-SG 2.03Å; C574-C607 PolarHBondContact SG-SG 3.46Å; V593-C607 HydrophobicContact CG2-CB 3.37Å; D595-C607 WeakPolarHBondContact CA-O 3.13Å; G596-C607 PolarHBondContact N-O 2.79Å; T597-C607 WeakPolarHBondContact O-CB 3.28Å; T597-C607 PolarHBondContact O-N 3.4Å; C607-S611 WeakPolarHBondContact CA-O 3.37Å |
| 608 | I | 81.3 | Confident | 74.9 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 124.5 | -179.9 | -60.4 | 176.4 | 0 | 0 | 0 | 108.9 | V501 H527 D595 G610 S611 K613 I621 | V501-I608 HydrophobicContact CG2-CD1 4.4Å; H527-I608 HydrophobicContact CB-CD1 4.43Å; H527-I608 HydrophobicContact CB-CG2 4.46Å; D595-I608 VanDerWaalsContact OD1-CA 3.24Å; D595-I608 WeakPolarHBondContact OD1-CA 2.97Å; I608-G610 PolarHBondContact O-N 2.04Å; I608-G610 VanDerWaalsContact O-N 3.16Å; I608-S611 PolarHBondContact N-O 3.1Å; I608-S611 PolarHBondContact O-N 3.37Å; I608-S611 VanDerWaalsContact O-O 3.05Å; I608-S611 PolarHBondContact O-OG 3.25Å; I608-K613 HydrophobicContact CB-CG 4.18Å; I608-K613 HydrophobicContact CD1-CB 4.2Å; I608-K613 HydrophobicContact CD1-CG 4.5Å; I608-I621 HydrophobicContact CD1-CB 4.31Å; I608-I621 HydrophobicContact CD1-CD1 3.75Å; I608-I621 HydrophobicContact CD1-CG1 4.2Å; I608-I621 HydrophobicContact CD1-CG2 3.25Å |
| 609 | K | 77.3 | Confident | 74.3 | Confident | 116 Ų | 116 | 54 Ų | 54 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34.3 | -175.7 | -70.3 | -179.7 | 166.2 | 174.5 | 0 | 113 | D595 S611 | D595-K609 PolarHBondContact OD1-N 2.6Å; K609-S611 PolarHBondContact O-N 3.46Å |
| 610 | G | 77.8 | Confident | 73.9 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 3.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C574 I608 | C574-G610 WeakPolarHBondContact CB-O 3.46Å; I608-G610 PolarHBondContact O-N 2.04Å; I608-G610 VanDerWaalsContact O-N 3.16Å |
| 611 | S | 80.9 | Confident | 74.1 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.2 | 175.1 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | C607 I608 K609 K613 | C607-S611 WeakPolarHBondContact CA-O 3.37Å; I608-S611 PolarHBondContact N-O 3.1Å; I608-S611 PolarHBondContact O-N 3.37Å; I608-S611 VanDerWaalsContact O-O 3.05Å; I608-S611 PolarHBondContact O-OG 3.25Å; K609-S611 PolarHBondContact O-N 3.46Å; S611-K613 VanDerWaalsContact OG-CE 3.32Å; S611-K613 WeakPolarHBondContact OG-CE 3.37Å |
| 612 | C | 83.6 | Confident | 74.6 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.6 | 172.2 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | P573 C599 | P573-C612 HydrophobicContact CG-CB 4.12Å; C599-C612 HydrophobicContact CB-CB 3.92Å; C599-C612 WeakPolarHBondContact CB-SG 3.31Å; C599-C612 WeakPolarHBondContact SG-CA 3.32Å; C599-C612 WeakPolarHBondContact SG-CB 3.18Å; C599-C612 CovalentContact SG-SG 2.03Å; C599-C612 PolarHBondContact SG-SG 2.04Å |
| 613 | K | 84.3 | Confident | 75.5 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.1 | 178 | -65.1 | -62.1 | -176.8 | -174 | 0 | 110.3 | L606 I608 S611 I621 | L606-K613 PolarHBondContact N-O 2.96Å; L606-K613 PolarHBondContact O-N 3Å; I608-K613 HydrophobicContact CB-CG 4.18Å; I608-K613 HydrophobicContact CD1-CB 4.2Å; I608-K613 HydrophobicContact CD1-CG 4.5Å; S611-K613 VanDerWaalsContact OG-CE 3.32Å; S611-K613 WeakPolarHBondContact OG-CE 3.37Å; K613-I621 HydrophobicContact CB-CG2 4.08Å |
| 614 | K | 79.1 | Confident | 76.1 | Confident | 123 Ų | 123 | 52 Ų | 52 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.5 | 172.5 | -172.5 | 148.4 | -166.4 | 141.7 | 0 | 111.4 | D605 G622 | D605-K614 VanDerWaalsContact CG-CA 3.49Å; D605-K614 WeakPolarHBondContact OD2-CA 3.44Å; D605-K614 WeakPolarHBondContact OD2-CB 3.5Å; K614-G622 WeakPolarHBondContact O-CA 3.43Å; K614-G622 PolarHBondContact O-N 2.97Å |
| 615 | I | 77.9 | Confident | 76.3 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 133.9 | 167.4 | -39.3 | -179.9 | 0 | 0 | 0 | 107.9 | T499 S604 L606 | T499-I615 HydrophobicContact CG2-CD1 3.96Å; S604-I615 WeakPolarHBondContact O-CD1 3.14Å; L606-I615 HydrophobicContact CD1-CD1 3.64Å; L606-I615 HydrophobicContact CD1-CG1 4.34Å; L606-I615 HydrophobicContact CG-CD1 3.89Å; L606-I615 HydrophobicContact CG-CG1 4.3Å |
| 616 | G | 72.5 | Confident | 75.9 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -69 | 165.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D618 G619 I620 A625 | G616-D618 VanDerWaalsContact C-OD1 3.28Å; G616-D618 WeakPolarHBondContact CA-OD1 3.27Å; G616-D618 PolarHBondContact O-N 3.31Å; G616-D618 VanDerWaalsContact O-N 3.09Å; G616-G619 PolarHBondContact O-N 2.93Å; G616-G619 VanDerWaalsContact O-N 3.08Å; G616-I620 PolarHBondContact N-O 3.47Å; G616-A625 WeakPolarHBondContact CA-O 3.48Å |
| 617 | C | 72.2 | Confident | 75.3 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.4 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 114 | G619 A625 K626 E627 C633 | C617-G619 VanDerWaalsContact C-N 3.28Å; C617-A625 PolarHBondContact N-O 2.74Å; C617-K626 PolarHBondContact SG-N 2.93Å; C617-K626 VanDerWaalsContact SG-N 3.4Å; C617-K626 PolarHBondContact SG-O 2.86Å; C617-E627 HydrophobicContact CB-CG 3.68Å; C617-C633 HydrophobicContact CB-CB 3.47Å; C617-C633 VanDerWaalsContact CB-CB 3.47Å; C617-C633 WeakPolarHBondContact CB-SG 3.4Å; C617-C633 WeakPolarHBondContact SG-CA 3.32Å; C617-C633 WeakPolarHBondContact SG-CB 3.4Å; C617-C633 CovalentContact SG-SG 2.03Å; C617-C633 PolarHBondContact SG-SG 3.07Å |
| 618 | D | 70.4 | Confident | 74.7 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.7 | 178.3 | 52.3 | 6.5 | 0 | 0 | 0 | 112.3 | G616 I620 S623 A625 C633 | G616-D618 VanDerWaalsContact C-OD1 3.28Å; G616-D618 WeakPolarHBondContact CA-OD1 3.27Å; G616-D618 PolarHBondContact O-N 3.31Å; G616-D618 VanDerWaalsContact O-N 3.09Å; D618-I620 HydrophobicContact CB-CD1 4.38Å; D618-I620 HydrophobicContact CB-CG1 4.24Å; D618-I620 PolarHBondContact O-N 3.4Å; D618-I620 WeakPolarHBondContact OD1-CB 3.35Å; D618-I620 PolarHBondContact OD1-N 2.69Å; D618-S623 WeakPolarHBondContact OD1-CB 3.46Å; D618-S623 VanDerWaalsContact OD2-CB 3.27Å; D618-S623 WeakPolarHBondContact OD2-CB 3.45Å; D618-S623 PolarHBondContact OD2-OG 2.85Å; D618-A625 HydrophobicContact CB-CB 4.3Å; D618-A625 VanDerWaalsContact OD2-CB 3.26Å; D618-A625 WeakPolarHBondContact OD2-CB 3.26Å; D618-C633 PolarHBondContact N-SG 3.11Å |
| 619 | G | 67.4 | Low | 74.2 | Confident | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 74.1 | 10.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A529 G616 C617 | A529-G619 WeakPolarHBondContact CB-O 3.14Å; G616-G619 PolarHBondContact O-N 2.93Å; G616-G619 VanDerWaalsContact O-N 3.08Å; C617-G619 VanDerWaalsContact C-N 3.28Å |
| 620 | I | 71.9 | Confident | 73.8 | Confident | 101 Ų | 101 | 58 Ų | 58 | 52% | 0.518 | 34% | 0.342 | S | S | . | . | trans | -95.2 | 126.5 | -179.5 | -57.5 | 178.2 | 0 | 0 | 0 | 109.5 | G616 D618 G622 S623 | G616-I620 PolarHBondContact N-O 3.47Å; D618-I620 HydrophobicContact CB-CD1 4.38Å; D618-I620 HydrophobicContact CB-CG1 4.24Å; D618-I620 PolarHBondContact O-N 3.4Å; D618-I620 WeakPolarHBondContact OD1-CB 3.35Å; D618-I620 PolarHBondContact OD1-N 2.69Å; I620-G622 PolarHBondContact O-N 3.45Å; I620-S623 WeakPolarHBondContact O-CB 3.45Å; I620-S623 PolarHBondContact O-N 3.28Å | ||
| 621 | I | 73.7 | Confident | 73.4 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 125.7 | -179.9 | -67.6 | 163.9 | 0 | 0 | 0 | 109.4 | V501 H527 K528 A529 I608 K613 S623 | V501-I621 HydrophobicContact CG1-CD1 4.2Å; V501-I621 HydrophobicContact CG2-CD1 3.99Å; H527-I621 HydrophobicContact CB-CD1 4.24Å; K528-I621 VanDerWaalsContact C-CD1 3.48Å; A529-I621 HydrophobicContact CB-CD1 4.22Å; A529-I621 HydrophobicContact CB-CG1 4.18Å; I608-I621 HydrophobicContact CD1-CB 4.31Å; I608-I621 HydrophobicContact CD1-CD1 3.75Å; I608-I621 HydrophobicContact CD1-CG1 4.2Å; I608-I621 HydrophobicContact CD1-CG2 3.25Å; K613-I621 HydrophobicContact CB-CG2 4.08Å; I621-S623 PolarHBondContact O-N 3.35Å |
| 622 | G | 68.6 | Low | 72.9 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 5.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K614 I620 | K614-G622 WeakPolarHBondContact O-CA 3.43Å; K614-G622 PolarHBondContact O-N 2.97Å; I620-G622 PolarHBondContact O-N 3.45Å |
| 623 | S | 72.9 | Confident | 72.6 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | trans | -66.3 | 143.2 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | D618 I620 I621 A625 | D618-S623 WeakPolarHBondContact OD1-CB 3.46Å; D618-S623 VanDerWaalsContact OD2-CB 3.27Å; D618-S623 WeakPolarHBondContact OD2-CB 3.45Å; D618-S623 PolarHBondContact OD2-OG 2.85Å; I620-S623 WeakPolarHBondContact O-CB 3.45Å; I620-S623 PolarHBondContact O-N 3.28Å; I621-S623 PolarHBondContact O-N 3.35Å; S623-A625 PolarHBondContact O-N 3.15Å; S623-A625 VanDerWaalsContact OG-CB 3.22Å; S623-A625 WeakPolarHBondContact OG-CB 3.5Å; S623-A625 PolarHBondContact OG-N 2.02Å; S623-A625 VanDerWaalsContact OG-N 3.14Å | ||
| 624 | S | 72.4 | Confident | 72 | Confident | 113 Ų | 113 | 58.7 Ų | 58.7 | 79% | 0.79 | 35% | 0.347 | S | S | * | . | trans | -78.4 | -5.3 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | K626 | S624-K626 PolarHBondContact O-N 3.24Š| ||
| 625 | A | 69.4 | Low | 71.4 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -61.3 | 126.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G616 C617 D618 S623 N634 | G616-A625 WeakPolarHBondContact CA-O 3.48Å; C617-A625 PolarHBondContact N-O 2.74Å; D618-A625 HydrophobicContact CB-CB 4.3Å; D618-A625 VanDerWaalsContact OD2-CB 3.26Å; D618-A625 WeakPolarHBondContact OD2-CB 3.26Å; S623-A625 PolarHBondContact O-N 3.15Å; S623-A625 VanDerWaalsContact OG-CB 3.22Å; S623-A625 WeakPolarHBondContact OG-CB 3.5Å; S623-A625 PolarHBondContact OG-N 2.02Å; S623-A625 VanDerWaalsContact OG-N 3.14Å; A625-N634 VanDerWaalsContact CA-OD1 3.25Å; A625-N634 WeakPolarHBondContact CA-OD1 3.24Å; A625-N634 WeakPolarHBondContact CB-ND2 3.36Å; A625-N634 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 626 | K | 72 | Confident | 71 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 70% | 0.696 | 36% | 0.364 | S | S | * | . | trans | -121.9 | 149.4 | -178.9 | -70.4 | 172.5 | -173.2 | 173 | 0 | 110.5 | C617 S624 D628 N634 | C617-K626 PolarHBondContact SG-N 2.93Å; C617-K626 VanDerWaalsContact SG-N 3.4Å; C617-K626 PolarHBondContact SG-O 2.86Å; S624-K626 PolarHBondContact O-N 3.24Å; K626-D628 PolarHBondContact O-N 3.39Å; K626-N634 PolarHBondContact N-OD1 2.79Å; K626-N634 PolarHBondContact O-N 2.81Å; K626-N634 VanDerWaalsContact O-N 3.1Å | ||
| 627 | E | 71.1 | Confident | 70.8 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 128.5 | 167.4 | -66.3 | 177 | 177.1 | 0 | 0 | 109.3 | C617 | C617-E627 HydrophobicContact CB-CG 3.68Å |
| 628 | D | 72.3 | Confident | 70.6 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | trans | -66.6 | 172.5 | 170.7 | 171.8 | 33.3 | 0 | 0 | 0 | 111 | K626 C630 G631 V632 G637 R667 | K626-D628 PolarHBondContact O-N 3.39Å; D628-C630 PolarHBondContact O-N 3.39Å; D628-G631 PolarHBondContact O-N 2.9Å; D628-V632 VanDerWaalsContact CB-O 3.28Å; D628-V632 WeakPolarHBondContact CB-O 3.47Å; D628-V632 PolarHBondContact N-O 3.28Å; D628-G637 PolarHBondContact OD1-N 3.13Å; D628-G637 WeakPolarHBondContact OD2-CA 3.45Å; D628-G637 PolarHBondContact OD2-N 3.06Å; D628-R667 PolarHBondContact O-NH1 3.05Å | ||
| 629 | T | 70.9 | Confident | 70.5 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -27.9 | 170.8 | 47.8 | 0 | 0 | 0 | 0 | 114 | I642 R667 | T629-I642 HydrophobicContact CG2-CD1 4.27Å; T629-R667 WeakPolarHBondContact O-CD 3.37Å |
| 630 | C | 69.8 | Low | 70.9 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.081 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.9 | 179 | -57 | 0 | 0 | 0 | 0 | 115.9 | D628 V632 G637 S639 C640 | D628-C630 PolarHBondContact O-N 3.39Å; C630-V632 HydrophobicContact CB-CG2 4.41Å; C630-V632 PolarHBondContact O-N 2.96Å; C630-G637 PolarHBondContact SG-O 2.86Å; C630-S639 WeakPolarHBondContact CB-OG 3.35Å; C630-C640 WeakPolarHBondContact CA-SG 3.34Å; C630-C640 HydrophobicContact CB-CB 3.54Å; C630-C640 WeakPolarHBondContact CB-SG 3.45Å; C630-C640 VanDerWaalsContact SG-CA 3.53Å; C630-C640 WeakPolarHBondContact SG-CB 3.35Å; C630-C640 PolarHBondContact SG-N 2.74Å; C630-C640 CovalentContact SG-SG 2.03Å; C630-C640 PolarHBondContact SG-SG 3.43Å |
| 631 | G | 67.4 | Low | 71.3 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 73.3 | 6.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D628 | D628-G631 PolarHBondContact O-N 2.9Š|
| 632 | V | 72.2 | Confident | 71.7 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | trans | -85.8 | 133.8 | 174 | 180 | 0 | 0 | 0 | 0 | 109.2 | D628 C630 N634 G635 S639 | D628-V632 VanDerWaalsContact CB-O 3.28Å; D628-V632 WeakPolarHBondContact CB-O 3.47Å; D628-V632 PolarHBondContact N-O 3.28Å; C630-V632 HydrophobicContact CB-CG2 4.41Å; C630-V632 PolarHBondContact O-N 2.96Å; V632-N634 PolarHBondContact O-N 2.82Å; V632-G635 PolarHBondContact O-N 2.66Å; V632-S639 WeakPolarHBondContact CG2-OG 3.29Å | ||
| 633 | C | 75.9 | Confident | 72.5 | Confident | 43 Ų | 43 | 67 Ų | 67 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 126.4 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | C617 D618 G635 | C617-C633 HydrophobicContact CB-CB 3.47Å; C617-C633 VanDerWaalsContact CB-CB 3.47Å; C617-C633 WeakPolarHBondContact CB-SG 3.4Å; C617-C633 WeakPolarHBondContact SG-CA 3.32Å; C617-C633 WeakPolarHBondContact SG-CB 3.4Å; C617-C633 CovalentContact SG-SG 2.03Å; C617-C633 PolarHBondContact SG-SG 3.07Å; D618-C633 PolarHBondContact N-SG 3.11Å; C633-G635 PolarHBondContact O-N 3.42Å; C633-G635 VanDerWaalsContact O-N 3.11Å |
| 634 | N | 73 | Confident | 73.2 | Confident | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 32.5 | -173.9 | -66.9 | -17.6 | 0 | 0 | 0 | 113.3 | A625 K626 V632 | A625-N634 VanDerWaalsContact CA-OD1 3.25Å; A625-N634 WeakPolarHBondContact CA-OD1 3.24Å; A625-N634 WeakPolarHBondContact CB-ND2 3.36Å; A625-N634 WeakPolarHBondContact CB-OD1 3.44Å; K626-N634 PolarHBondContact N-OD1 2.79Å; K626-N634 PolarHBondContact O-N 2.81Å; K626-N634 VanDerWaalsContact O-N 3.1Å; V632-N634 PolarHBondContact O-N 2.82Å |
| 635 | G | 65.2 | Low | 73.8 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | -67.9 | 163.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V632 C633 | V632-G635 PolarHBondContact O-N 2.66Å; C633-G635 PolarHBondContact O-N 3.42Å; C633-G635 VanDerWaalsContact O-N 3.11Å | ||
| 636 | H | 70.3 | Confident | 74.5 | Confident | 173 Ų | 173 | 70.5 Ų | 70.5 | 80% | 0.801 | 38% | 0.379 | S | S | * | . | trans | -97 | -0.4 | -178.6 | -64.2 | -54.1 | 0 | 0 | 0 | 114.6 | ||||
| 637 | G | 66.9 | Low | 75 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 99.4 | -12.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D628 C630 | D628-G637 PolarHBondContact OD1-N 3.13Å; D628-G637 WeakPolarHBondContact OD2-CA 3.45Å; D628-G637 PolarHBondContact OD2-N 3.06Å; C630-G637 PolarHBondContact SG-O 2.86Å |
| 638 | D | 68.8 | Low | 75.2 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.1 | -162.8 | -55.4 | -42.4 | 0 | 0 | 0 | 115.4 | C640 | D638-C640 VanDerWaalsContact C-N 3.32Å; D638-C640 PolarHBondContact O-N 2.79Å |
| 639 | S | 67.8 | Low | 75.1 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.1 | -174.6 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | C630 V632 V752 | C630-S639 WeakPolarHBondContact CB-OG 3.35Å; V632-S639 WeakPolarHBondContact CG2-OG 3.29Å; S639-V752 PolarHBondContact O-N 3.34Å |
| 640 | C | 75.8 | Confident | 74.8 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.8 | 179.4 | 76.1 | 0 | 0 | 0 | 0 | 111.2 | C630 D638 I750 | C630-C640 WeakPolarHBondContact CA-SG 3.34Å; C630-C640 HydrophobicContact CB-CB 3.54Å; C630-C640 WeakPolarHBondContact CB-SG 3.45Å; C630-C640 VanDerWaalsContact SG-CA 3.53Å; C630-C640 WeakPolarHBondContact SG-CB 3.35Å; C630-C640 PolarHBondContact SG-N 2.74Å; C630-C640 CovalentContact SG-SG 2.03Å; C630-C640 PolarHBondContact SG-SG 3.43Å; D638-C640 VanDerWaalsContact C-N 3.32Å; D638-C640 PolarHBondContact O-N 2.79Å; C640-I750 CarbonylContact C-O 3.54Å; C640-I750 WeakPolarHBondContact CA-O 3.36Å; C640-I750 VanDerWaalsContact CB-O 3.22Å; C640-I750 WeakPolarHBondContact CB-O 3.45Å |
| 641 | K | 80.9 | Confident | 74.5 | Confident | 139 Ų | 139 | 75 Ų | 75 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.3 | 168 | -176.1 | 176.1 | 179.2 | -179.6 | 0 | 109 | T749 I750 V752 | K641-T749 WeakPolarHBondContact O-CA 3.06Å; K641-I750 HydrophobicContact CB-CG1 4.05Å; K641-I750 PolarHBondContact N-O 3.32Å; K641-I750 PolarHBondContact O-N 2.92Å; K641-V752 HydrophobicContact CB-CG2 4.26Å |
| 642 | I | 82.2 | Confident | 74.4 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127 | 169.6 | -50.7 | 173.1 | 0 | 0 | 0 | 108.1 | T629 K644 E747 T749 | T629-I642 HydrophobicContact CG2-CD1 4.27Å; I642-K644 HydrophobicContact CG2-CG 4.17Å; I642-E747 HydrophobicContact CG2-CG 4.17Å; I642-T749 HydrophobicContact CB-CG2 4.31Å; I642-T749 HydrophobicContact CG1-CG2 3.89Å; I642-T749 HydrophobicContact CG2-CG2 4.31Å |
| 643 | V | 84.8 | Confident | 74.3 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.7 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | E747 Y748 I750 | V643-E747 WeakPolarHBondContact O-CA 3.38Å; V643-Y748 HydrophobicContact CB-CD2 4.13Å; V643-Y748 HydrophobicContact CB-CE1 4.19Å; V643-Y748 HydrophobicContact CB-CE2 3.78Å; V643-Y748 HydrophobicContact CB-CG 4.48Å; V643-Y748 HydrophobicContact CG1-CE1 3.98Å; V643-Y748 HydrophobicContact CG1-CE2 4.13Å; V643-Y748 HydrophobicContact CG2-CD2 4.46Å; V643-Y748 HydrophobicContact CG2-CE2 3.95Å; V643-Y748 PolarHBondContact N-O 2.89Å; V643-Y748 PolarHBondContact O-N 3.45Å; V643-I750 HydrophobicContact CG2-CD1 3.91Å; V643-I750 HydrophobicContact CG2-CG1 4.11Å |
| 644 | K | 87.8 | Confident | 74.5 | Confident | 118 Ų | 118 | 78 Ų | 78 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.6 | 175.9 | -65.8 | -175.2 | -179.4 | -157.2 | 0 | 109.1 | I642 Y746 E747 | I642-K644 HydrophobicContact CG2-CG 4.17Å; K644-Y746 VanDerWaalsContact CA-O 3.31Å; K644-Y746 WeakPolarHBondContact CA-O 3.36Å; K644-E747 WeakPolarHBondContact CE-OE1 3.31Å; K644-E747 HydrophobicContact CG-CB 4.35Å; K644-E747 HydrophobicContact CG-CG 4.22Å; K644-E747 IonicContact NZ-OE1 3.91Å; K644-E747 PolarHBondContact NZ-OE1 2.98Å |
| 645 | G | 85.1 | Confident | 75 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 157.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y746 | G645-Y746 PolarHBondContact N-O 3.05Å; G645-Y746 VanDerWaalsContact O-CD1 3.28Å; G645-Y746 WeakPolarHBondContact O-CD1 3.29Å; G645-Y746 PolarHBondContact O-N 2.99Å |
| 646 | D | 84.6 | Confident | 76 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.2 | 179.3 | -56.1 | -64.2 | 0 | 0 | 0 | 108.2 | I744 H745 | D646-I744 WeakPolarHBondContact CA-O 3.15Å; D646-H745 IonicContact OD1-CE1 3.19Å; D646-H745 IonicContact OD1-CG 2.9Å; D646-H745 IonicContact OD1-ND1 2.67Å; D646-H745 PolarHBondContact OD1-ND1 2.81Å |
| 647 | F | 82.4 | Confident | 76.7 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 102.9 | 174.5 | 176.9 | -100.3 | 0 | 0 | 0 | 109.1 | Y649 V656 A658 V734 I744 | F647-Y649 HydrophobicContact CE1-CG 4.43Å; F647-Y649 HydrophobicContact CE2-CD2 4.42Å; F647-Y649 HydrophobicContact CE2-CG 4.4Å; F647-Y649 HydrophobicContact CZ-CD2 4.24Å; F647-Y649 AromaticContact CZ-CG 3.83Å; F647-Y649 HydrophobicContact CZ-CG 3.83Å; F647-V656 HydrophobicContact CE2-CG1 4.21Å; F647-V656 HydrophobicContact CZ-CB 4.14Å; F647-V656 HydrophobicContact CZ-CG1 3.74Å; F647-A658 HydrophobicContact CB-CB 3.98Å; F647-A658 HydrophobicContact CD1-CB 4.01Å; F647-A658 VanDerWaalsContact CD2-CA 3.46Å; F647-A658 HydrophobicContact CD2-CB 3.45Å; F647-A658 VanDerWaalsContact CD2-CB 3.45Å; F647-A658 HydrophobicContact CE1-CB 4.31Å; F647-A658 HydrophobicContact CE2-CB 3.8Å; F647-A658 HydrophobicContact CG-CB 3.54Å; F647-A658 HydrophobicContact CZ-CB 4.2Å; F647-V734 HydrophobicContact CD1-CG2 4Å; F647-V734 HydrophobicContact CE1-CB 4.2Å; F647-V734 HydrophobicContact CE1-CG2 3.78Å; F647-I744 HydrophobicContact CB-CB 4.33Å; F647-I744 HydrophobicContact CD1-CD1 4.23Å; F647-I744 PolarHBondContact N-O 3.27Å; F647-I744 PolarHBondContact O-N 3.1Å |
| 648 | N | 75.8 | Confident | 77.6 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | trans | -112.7 | 88.1 | 177.3 | -71.6 | -40.9 | 0 | 0 | 0 | 110 | Y742 | N648-Y742 WeakPolarHBondContact CA-O 3.45Å; N648-Y742 PolarHBondContact OD1-O 2.88Å | ||
| 649 | Y | 70.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | trans | -112.5 | 144.4 | 179.9 | -167.8 | -93.8 | 0 | 0 | 0 | 110.6 | F647 K651 V656 L736 Y742 | F647-Y649 HydrophobicContact CE1-CG 4.43Å; F647-Y649 HydrophobicContact CE2-CD2 4.42Å; F647-Y649 HydrophobicContact CE2-CG 4.4Å; F647-Y649 HydrophobicContact CZ-CD2 4.24Å; F647-Y649 AromaticContact CZ-CG 3.83Å; F647-Y649 HydrophobicContact CZ-CG 3.83Å; Y649-K651 WeakPolarHBondContact CE1-O 3.06Å; Y649-K651 VanDerWaalsContact CZ-O 3.22Å; Y649-K651 PolarHBondContact OH-O 2.94Å; Y649-V656 HydrophobicContact CD1-CG1 4.35Å; Y649-V656 HydrophobicContact CD1-CG2 4.18Å; Y649-V656 HydrophobicContact CD2-CG1 4.16Å; Y649-V656 HydrophobicContact CE1-CG1 4.17Å; Y649-V656 HydrophobicContact CE1-CG2 3.75Å; Y649-V656 HydrophobicContact CE2-CG1 4.01Å; Y649-V656 HydrophobicContact CG-CG1 4.31Å; Y649-L736 HydrophobicContact CD1-CD1 3.49Å; Y649-L736 VanDerWaalsContact CD1-CD1 3.49Å; Y649-L736 HydrophobicContact CE1-CD1 4.02Å; Y649-L736 HydrophobicContact CG-CD1 4.49Å; Y649-Y742 PolarHBondContact O-N 2.87Å | ||
| 650 | T | 63.5 | Low | 79.5 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | trans | -134.4 | -3.3 | -164.5 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | D739 Q740 | T650-D739 WeakPolarHBondContact O-CB 3.45Å; T650-Q740 WeakPolarHBondContact CA-O 3.41Å | ||
| 651 | K | 64.3 | Low | 80.2 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -147.2 | 108.3 | -171.5 | -72.1 | -171.2 | 176 | -176.2 | 0 | 114.2 | Y649 D739 | Y649-K651 WeakPolarHBondContact CE1-O 3.06Å; Y649-K651 VanDerWaalsContact CZ-O 3.22Å; Y649-K651 PolarHBondContact OH-O 2.94Å; K651-D739 WeakPolarHBondContact CA-OD1 3.09Å |
| 652 | G | 65.5 | Low | 80.5 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | trans | 137.1 | 154.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D739 | G652-D739 PolarHBondContact N-OD1 2.92Š| ||
| 653 | M | 69.3 | Low | 80.6 | Confident | 158 Ų | 158 | 61.4 Ų | 61.4 | 78% | 0.778 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -112 | 135.9 | -179 | -60.3 | -179.3 | -75.3 | 0 | 0 | 110.3 | L736 | M653-L736 WeakPolarHBondContact CA-O 3.44Š|
| 654 | G | 80.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 61 Ų | 61 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.3 | -163.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L736 | G654-L736 PolarHBondContact N-O 2.95Å; G654-L736 PolarHBondContact O-N 3.16Å |
| 655 | Y | 84.2 | Confident | 80.3 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118 | 179.9 | -71.4 | -83.3 | 0 | 0 | 0 | 111.4 | A681 N691 W694 M733 V734 L735 | Y655-A681 HydrophobicContact CD1-CB 4.15Å; Y655-A681 HydrophobicContact CE1-CB 3.79Å; Y655-N691 WeakPolarHBondContact CE1-O 2.93Å; Y655-N691 VanDerWaalsContact CZ-O 3.26Å; Y655-N691 PolarHBondContact OH-O 3.03Å; Y655-W694 HydrophobicContact CE2-CD2 4.45Å; Y655-W694 HydrophobicContact CE2-CG 4.35Å; Y655-W694 WeakPolarHBondContact OH-CA 3.36Å; Y655-W694 PolarHBondContact OH-N 2.94Å; Y655-M733 HydrophobicContact CD1-CB 4.28Å; Y655-V734 WeakPolarHBondContact CA-O 3.34Å; Y655-L735 HydrophobicContact CD1-CB 4.03Å; Y655-L735 HydrophobicContact CD1-CD1 4.4Å; Y655-L735 HydrophobicContact CD2-CD1 4Å; Y655-L735 HydrophobicContact CE1-CB 3.75Å; Y655-L735 HydrophobicContact CE1-CD1 4.27Å; Y655-L735 HydrophobicContact CE1-CD2 4.47Å; Y655-L735 HydrophobicContact CE1-CG 4.38Å; Y655-L735 HydrophobicContact CE2-CD1 3.84Å; Y655-L735 HydrophobicContact CG-CD1 4.28Å |
| 656 | V | 85.6 | Confident | 80.3 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.7 | 173.6 | -172 | 0 | 0 | 0 | 0 | 109 | F647 Y649 M733 V734 L736 | F647-V656 HydrophobicContact CE2-CG1 4.21Å; F647-V656 HydrophobicContact CZ-CB 4.14Å; F647-V656 HydrophobicContact CZ-CG1 3.74Å; Y649-V656 HydrophobicContact CD1-CG1 4.35Å; Y649-V656 HydrophobicContact CD1-CG2 4.18Å; Y649-V656 HydrophobicContact CD2-CG1 4.16Å; Y649-V656 HydrophobicContact CE1-CG1 4.17Å; Y649-V656 HydrophobicContact CE1-CG2 3.75Å; Y649-V656 HydrophobicContact CE2-CG1 4.01Å; Y649-V656 HydrophobicContact CG-CG1 4.31Å; V656-M733 CarbonylContact O-C 3.41Å; V656-M733 VanDerWaalsContact O-CA 3.27Å; V656-M733 WeakPolarHBondContact O-CA 3.5Å; V656-V734 PolarHBondContact N-O 3.37Å; V656-V734 PolarHBondContact O-N 2.88Å; V656-L736 HydrophobicContact CG2-CD1 3.88Å; V656-L736 HydrophobicContact CG2-CG 4.32Å |
| 657 | E | 85.4 | Confident | 80.2 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.3 | 174.1 | -173.2 | 171.1 | -95.6 | 0 | 0 | 110.2 | V660 H731 | E657-V660 WeakPolarHBondContact OE2-CG2 3.41Å; E657-H731 IonicContact OE1-CE1 3.72Å; E657-H731 IonicContact OE1-CG 2.79Å; E657-H731 IonicContact OE1-ND1 2.74Å; E657-H731 PolarHBondContact OE1-ND1 2.88Å |
| 658 | A | 84.6 | Confident | 80.5 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -43.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F647 L732 V734 | F647-A658 HydrophobicContact CB-CB 3.98Å; F647-A658 HydrophobicContact CD1-CB 4.01Å; F647-A658 VanDerWaalsContact CD2-CA 3.46Å; F647-A658 HydrophobicContact CD2-CB 3.45Å; F647-A658 VanDerWaalsContact CD2-CB 3.45Å; F647-A658 HydrophobicContact CE1-CB 4.31Å; F647-A658 HydrophobicContact CE2-CB 3.8Å; F647-A658 HydrophobicContact CG-CB 3.54Å; F647-A658 HydrophobicContact CZ-CB 4.2Å; A658-L732 HydrophobicContact CB-CD2 4.05Å; A658-L732 HydrophobicContact CB-CG 4.16Å; A658-L732 PolarHBondContact N-O 3.06Å; A658-V734 HydrophobicContact CB-CG2 4Å |
| 659 | V | 88.4 | Confident | 81.1 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 145.2 | 174.6 | 65 | 0 | 0 | 0 | 0 | 110.9 | I661 L732 Y746 Y748 | V659-I661 HydrophobicContact CG1-CG1 4.06Å; V659-L732 HydrophobicContact CG1-CB 3.93Å; V659-L732 HydrophobicContact CG1-CD2 3.93Å; V659-L732 WeakPolarHBondContact O-CB 3.08Å; V659-L732 PolarHBondContact O-N 3.1Å; V659-Y746 HydrophobicContact CB-CE1 4.03Å; V659-Y746 HydrophobicContact CB-CE2 4.09Å; V659-Y746 HydrophobicContact CG1-CD1 3.99Å; V659-Y746 HydrophobicContact CG1-CD2 3.96Å; V659-Y746 HydrophobicContact CG1-CE1 3.98Å; V659-Y746 HydrophobicContact CG1-CE2 3.96Å; V659-Y746 HydrophobicContact CG1-CG 3.97Å; V659-Y746 HydrophobicContact CG2-CE2 3.89Å; V659-Y748 HydrophobicContact CG2-CE1 4.47Å |
| 660 | V | 89.6 | Confident | 82.1 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 109.3 | 166.7 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | E657 P729 | E657-V660 WeakPolarHBondContact OE2-CG2 3.41Å; V660-P729 HydrophobicContact CG1-CB 3.97Å |
| 661 | I | 89.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.4 | 176.1 | -54.8 | 178.5 | 0 | 0 | 0 | 107.7 | V659 A665 I668 P729 L730 Y748 | V659-I661 HydrophobicContact CG1-CG1 4.06Å; I661-A665 HydrophobicContact CG2-CB 3.53Å; I661-I668 HydrophobicContact CD1-CD1 4.46Å; I661-I668 HydrophobicContact CD1-CG1 4.43Å; I661-I668 HydrophobicContact CD1-CG2 3.6Å; I661-I668 HydrophobicContact CG2-CD1 3.82Å; I661-I668 HydrophobicContact CG2-CG1 4.06Å; I661-P729 CarbonylContact O-C 3.53Å; I661-P729 VanDerWaalsContact O-CA 3.29Å; I661-P729 WeakPolarHBondContact O-CA 3.41Å; I661-L730 HydrophobicContact CB-CB 4.24Å; I661-L730 PolarHBondContact N-O 3.01Å; I661-L730 PolarHBondContact O-N 3.27Å; I661-Y748 HydrophobicContact CD1-CD1 4.39Å; I661-Y748 HydrophobicContact CG1-CD1 4.16Å; I661-Y748 HydrophobicContact CG1-CE1 4.1Å; I661-Y748 HydrophobicContact CG2-CD1 4.25Å; I661-Y748 HydrophobicContact CG2-CD2 4.09Å; I661-Y748 HydrophobicContact CG2-CE1 4.46Å; I661-Y748 HydrophobicContact CG2-CE2 4.32Å; I661-Y748 HydrophobicContact CG2-CG 4.05Å |
| 662 | P | 87.7 | Confident | 84 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 164.8 | -172.2 | 28.1 | -35.4 | 0 | 0 | 0 | 113.1 | A665 T726 Y748 I750 | P662-A665 VanDerWaalsContact O-CB 3.32Å; P662-A665 WeakPolarHBondContact O-CB 3.39Å; P662-A665 PolarHBondContact O-N 3.32Å; P662-T726 PolarHBondContact O-OG1 3.03Å; P662-Y748 HydrophobicContact CG-CE2 4.22Å; P662-I750 HydrophobicContact CG-CG2 3.92Å |
| 663 | A | 83.6 | Confident | 84.3 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 144.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T726 | A663-T726 WeakPolarHBondContact CA-OG1 3.09Š|
| 664 | G | 80.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 6.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | T726 | G664-T726 PolarHBondContact N-O 2.95Å; G664-T726 PolarHBondContact N-OG1 2.95Å; G664-T726 VanDerWaalsContact N-OG1 3.13Å |
| 665 | A | 86.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -77.9 | 142 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I661 P662 I668 P725 T726 Y748 T749 I750 | I661-A665 HydrophobicContact CG2-CB 3.53Å; P662-A665 VanDerWaalsContact O-CB 3.32Å; P662-A665 WeakPolarHBondContact O-CB 3.39Å; P662-A665 PolarHBondContact O-N 3.32Å; A665-I668 HydrophobicContact CB-CD1 4.27Å; A665-I668 HydrophobicContact CB-CG1 4.41Å; A665-P725 WeakPolarHBondContact O-CA 3.47Å; A665-T726 PolarHBondContact N-OG1 3.12Å; A665-T726 PolarHBondContact O-N 3.28Å; A665-T726 VanDerWaalsContact O-N 3.09Å; A665-Y748 HydrophobicContact CB-CD2 4.14Å; A665-T749 CarbonylContact C-O 3.37Å; A665-T749 WeakPolarHBondContact CA-O 3.06Å; A665-I750 HydrophobicContact CB-CG2 4.46Å | ||
| 666 | W | 84.9 | Confident | 82.7 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 163 | -179.9 | -68.3 | 80.7 | 0 | 0 | 0 | 112 | I668 P725 T749 | W666-I668 PolarHBondContact O-N 3.12Å; W666-P725 HydrophobicContact CD2-CB 4.33Å; W666-P725 HydrophobicContact CH2-CG 4.27Å; W666-P725 HydrophobicContact CZ2-CB 3.87Å; W666-P725 HydrophobicContact CZ2-CG 3.79Å; W666-T749 WeakPolarHBondContact CB-OG1 3.5Å; W666-T749 PolarHBondContact N-O 3.25Å; W666-T749 PolarHBondContact O-N 2.85Å; W666-T749 PolarHBondContact O-OG1 2.91Å |
| 667 | R | 82.4 | Confident | 82 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.4 | 38 | 172.6 | -72.7 | 176.1 | 51.3 | 148 | -1.8 | 114.4 | D628 T629 K669 A722 K723 | D628-R667 PolarHBondContact O-NH1 3.05Å; T629-R667 WeakPolarHBondContact O-CD 3.37Å; R667-K669 PolarHBondContact O-N 3.12Å; R667-A722 CarbonylContact C-O 3.12Å; R667-A722 WeakPolarHBondContact CA-O 3.12Å; R667-K723 PolarHBondContact N-O 3.18Å |
| 668 | I | 89.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 129.1 | 179.1 | -61.1 | 161.4 | 0 | 0 | 0 | 109.4 | I661 A665 W666 S721 A722 T726 L730 E747 | I661-I668 HydrophobicContact CD1-CD1 4.46Å; I661-I668 HydrophobicContact CD1-CG1 4.43Å; I661-I668 HydrophobicContact CD1-CG2 3.6Å; I661-I668 HydrophobicContact CG2-CD1 3.82Å; I661-I668 HydrophobicContact CG2-CG1 4.06Å; A665-I668 HydrophobicContact CB-CD1 4.27Å; A665-I668 HydrophobicContact CB-CG1 4.41Å; W666-I668 PolarHBondContact O-N 3.12Å; I668-S721 CarbonylContact O-C 3.5Å; I668-S721 VanDerWaalsContact O-CA 3.25Å; I668-S721 WeakPolarHBondContact O-CA 3.5Å; I668-A722 HydrophobicContact CB-CB 4.26Å; I668-A722 HydrophobicContact CD1-CB 4.43Å; I668-A722 PolarHBondContact N-O 2.9Å; I668-A722 PolarHBondContact O-N 2.96Å; I668-T726 HydrophobicContact CD1-CG2 3.6Å; I668-L730 HydrophobicContact CD1-CD1 4.19Å; I668-E747 CarbonylContact C-O 3.6Å; I668-E747 WeakPolarHBondContact CA-O 3.28Å |
| 669 | K | 89.5 | Confident | 81.7 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.3 | 169.4 | -59.8 | 176 | -160 | 151.5 | 0 | 108.8 | R667 I720 Y746 E747 | R667-K669 PolarHBondContact O-N 3.12Å; K669-I720 WeakPolarHBondContact CA-O 3.2Å; K669-Y746 WeakPolarHBondContact O-CA 3.01Å; K669-E747 PolarHBondContact N-O 2.89Å; K669-E747 IonicContact NZ-OE2 3.88Å; K669-E747 PolarHBondContact NZ-OE2 3.25Å; K669-E747 PolarHBondContact O-N 3.05Å |
| 670 | V | 89.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.3 | 168 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | L680 K719 I720 L732 I744 H745 | V670-L680 HydrophobicContact CG1-CD1 3.9Å; V670-L680 HydrophobicContact CG1-CD2 4.06Å; V670-K719 WeakPolarHBondContact O-CA 3.22Å; V670-I720 HydrophobicContact CB-CB 4.4Å; V670-I720 PolarHBondContact N-O 3.41Å; V670-I720 PolarHBondContact O-N 3.48Å; V670-L732 HydrophobicContact CB-CD1 4.49Å; V670-L732 HydrophobicContact CB-CD2 4.43Å; V670-L732 HydrophobicContact CG1-CD1 4.1Å; V670-L732 HydrophobicContact CG1-CD2 3.75Å; V670-L732 HydrophobicContact CG2-CD1 3.99Å; V670-L732 HydrophobicContact CG2-CD2 3.79Å; V670-I744 HydrophobicContact CG1-CG2 3.54Å; V670-H745 WeakPolarHBondContact CA-O 3.29Å |
| 671 | M | 85.9 | Confident | 81.7 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.7 | -178 | -58.3 | -171.5 | -54 | 0 | 0 | 109 | K719 H745 | M671-K719 HydrophobicContact CG-CD 3.99Å; M671-K719 HydrophobicContact CG-CG 4.07Å; M671-K719 HydrophobicContact SD-CD 4.07Å; M671-H745 PolarHBondContact N-O 3.21Å; M671-H745 PolarHBondContact O-N 2.95Å |
| 672 | E | 82.6 | Confident | 81.7 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.2 | 170.7 | -149.8 | 175.5 | -145.2 | 0 | 0 | 109.2 | K674 S678 W717 E718 I744 | E672-K674 VanDerWaalsContact C-N 3.32Å; E672-K674 VanDerWaalsContact CG-O 3.3Å; E672-K674 WeakPolarHBondContact CG-O 3.35Å; E672-S678 PolarHBondContact OE1-OG 2.82Å; E672-W717 PolarHBondContact O-NE1 2.87Å; E672-E718 PolarHBondContact N-O 3.36Å; E672-I744 HydrophobicContact CG-CG1 4.1Å |
| 673 | D | 71.4 | Confident | 81.7 | Confident | 109 Ų | 109 | 46.8 Ų | 46.8 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -76.2 | -24.2 | -178.9 | -76.5 | -28.1 | 0 | 0 | 0 | 112.5 | G743 | D673-G743 PolarHBondContact N-O 3.1Š|
| 674 | K | 68.1 | Low | 81.8 | Confident | 148 Ų | 148 | 44.5 Ų | 44.5 | 64% | 0.643 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -139 | 136.8 | 179.4 | -66.4 | 178.9 | -176.8 | 171.9 | 0 | 109.7 | E672 L676 | E672-K674 VanDerWaalsContact C-N 3.32Å; E672-K674 VanDerWaalsContact CG-O 3.3Å; E672-K674 WeakPolarHBondContact CG-O 3.35Å; K674-L676 HydrophobicContact CB-CG 4.42Å; K674-L676 WeakPolarHBondContact O-CG 3.49Å; K674-L676 PolarHBondContact O-N 2.94Å |
| 675 | P | 65.7 | Low | 81.7 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | trans | -61.6 | 118.1 | 172.6 | 24 | -31.6 | 0 | 0 | 0 | 110.4 | L716 W717 | P675-L716 WeakPolarHBondContact CA-O 3.5Å; P675-L716 HydrophobicContact CB-CB 3.71Å; P675-W717 HydrophobicContact CB-CB 4.24Å | ||
| 676 | L | 67 | Low | 81 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -130.4 | 172.7 | -176.2 | -72.7 | 171.4 | 0 | 0 | 0 | 111.3 | K674 S678 L716 Y742 | K674-L676 HydrophobicContact CB-CG 4.42Å; K674-L676 WeakPolarHBondContact O-CG 3.49Å; K674-L676 PolarHBondContact O-N 2.94Å; L676-S678 WeakPolarHBondContact CB-OG 3.01Å; L676-S678 PolarHBondContact O-N 3.28Å; L676-S678 VanDerWaalsContact O-N 3.14Å; L676-L716 PolarHBondContact N-O 3.36Å; L676-Y742 HydrophobicContact CB-CD1 4.13Å; L676-Y742 HydrophobicContact CB-CE1 4.09Å; L676-Y742 HydrophobicContact CD1-CD1 3.66Å; L676-Y742 HydrophobicContact CD1-CE1 4.26Å; L676-Y742 HydrophobicContact CD1-CG 4.4Å; L676-Y742 HydrophobicContact CG-CD1 4.49Å | ||
| 677 | H | 71.4 | Confident | 80.1 | Confident | 109 Ų | 109 | 54.5 Ų | 54.5 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -86.2 | 46.4 | 175 | -66 | -66.3 | 0 | 0 | 0 | 111.8 | F737 | H677-F737 WeakPolarHBondContact O-CD2 3.27Š|
| 678 | S | 78.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 163.8 | 177.2 | 13.8 | 0 | 0 | 0 | 0 | 109.9 | E672 L676 L735 Y742 | E672-S678 PolarHBondContact OE1-OG 2.82Å; L676-S678 WeakPolarHBondContact CB-OG 3.01Å; L676-S678 PolarHBondContact O-N 3.28Å; L676-S678 VanDerWaalsContact O-N 3.14Å; S678-L735 WeakPolarHBondContact CA-O 3.33Å; S678-Y742 WeakPolarHBondContact OG-CD1 3.26Å; S678-Y742 WeakPolarHBondContact OG-CE1 3.17Å |
| 679 | F | 84.4 | Confident | 79.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.5 | 164.1 | -62.4 | -98.6 | 0 | 0 | 0 | 110.8 | I696 E718 V734 L735 F737 | F679-I696 HydrophobicContact CB-CD1 3.8Å; F679-I696 HydrophobicContact CD1-CB 4.38Å; F679-I696 HydrophobicContact CD1-CD1 3.55Å; F679-I696 HydrophobicContact CD1-CG1 3.79Å; F679-I696 HydrophobicContact CD1-CG2 3.66Å; F679-I696 HydrophobicContact CD2-CD1 3.93Å; F679-I696 HydrophobicContact CD2-CG1 4.39Å; F679-I696 HydrophobicContact CE1-CB 4.23Å; F679-I696 HydrophobicContact CE1-CD1 4.01Å; F679-I696 HydrophobicContact CE1-CG1 3.7Å; F679-I696 HydrophobicContact CE1-CG2 3.58Å; F679-I696 HydrophobicContact CE2-CD1 4.38Å; F679-I696 HydrophobicContact CE2-CG1 4.35Å; F679-I696 HydrophobicContact CG-CD1 3.49Å; F679-I696 VanDerWaalsContact CG-CD1 3.49Å; F679-I696 HydrophobicContact CG-CG1 4.12Å; F679-I696 HydrophobicContact CZ-CD1 4.41Å; F679-I696 HydrophobicContact CZ-CG1 4Å; F679-E718 WeakPolarHBondContact CA-OE2 3.45Å; F679-E718 VanDerWaalsContact CD1-OE1 3.23Å; F679-E718 WeakPolarHBondContact CD1-OE1 3.32Å; F679-V734 WeakPolarHBondContact O-CA 3.19Å; F679-L735 HydrophobicContact CB-CB 4.23Å; F679-L735 HydrophobicContact CD2-CD2 4.25Å; F679-L735 PolarHBondContact N-O 2.74Å; F679-L735 PolarHBondContact O-N 2.87Å; F679-F737 AromaticContact CD2-CE2 3.74Å; F679-F737 HydrophobicContact CD2-CE2 3.74Å; F679-F737 HydrophobicContact CD2-CZ 4.43Å; F679-F737 AromaticContact CE2-CE2 3.66Å; F679-F737 HydrophobicContact CE2-CE2 3.66Å; F679-F737 HydrophobicContact CE2-CZ 4.19Å |
| 680 | L | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.6 | 170.1 | -62.5 | 178.8 | 0 | 0 | 0 | 109.6 | V670 N691 E718 I720 V734 I744 | V670-L680 HydrophobicContact CG1-CD1 3.9Å; V670-L680 HydrophobicContact CG1-CD2 4.06Å; L680-N691 WeakPolarHBondContact O-CB 3.42Å; L680-N691 PolarHBondContact O-ND2 2.94Å; L680-E718 HydrophobicContact CD1-CB 3.87Å; L680-E718 HydrophobicContact CG-CB 4.16Å; L680-E718 PolarHBondContact N-OE2 3.15Å; L680-I720 HydrophobicContact CB-CD1 3.68Å; L680-I720 HydrophobicContact CB-CG1 4.34Å; L680-I720 HydrophobicContact CD1-CD1 4.41Å; L680-I720 HydrophobicContact CD1-CG1 4.29Å; L680-V734 HydrophobicContact CD2-CG2 4.41Å; L680-I744 HydrophobicContact CD2-CD1 3.64Å; L680-I744 HydrophobicContact CD2-CG1 4.08Å; L680-I744 HydrophobicContact CD2-CG2 3.96Å |
| 681 | A | 89.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y655 I690 N691 M733 | Y655-A681 HydrophobicContact CD1-CB 4.15Å; Y655-A681 HydrophobicContact CE1-CB 3.79Å; A681-I690 VanDerWaalsContact CA-O 3.29Å; A681-I690 WeakPolarHBondContact CA-O 3.22Å; A681-I690 WeakPolarHBondContact CB-O 3.09Å; A681-N691 HydrophobicContact CB-CB 3.93Å; A681-N691 WeakPolarHBondContact CB-O 3.23Å; A681-M733 HydrophobicContact CB-CB 4.06Å; A681-M733 PolarHBondContact N-O 2.82Å; A681-M733 PolarHBondContact O-N 3.06Å |
| 682 | L | 89.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.8 | 177.7 | -93.3 | 167.3 | 0 | 0 | 0 | 109.7 | S689 I690 L704 V709 I720 L730 H731 L732 | L682-S689 CarbonylContact O-C 3.41Å; L682-S689 WeakPolarHBondContact O-CA 3.3Å; L682-S689 VanDerWaalsContact O-CB 3.23Å; L682-S689 WeakPolarHBondContact O-CB 3.24Å; L682-I690 PolarHBondContact N-O 3.43Å; L682-I690 PolarHBondContact O-N 3.49Å; L682-L704 HydrophobicContact CB-CD2 4.23Å; L682-V709 HydrophobicContact CD1-CG1 3.8Å; L682-I720 HydrophobicContact CD1-CB 4.42Å; L682-I720 HydrophobicContact CD1-CD1 3.92Å; L682-I720 HydrophobicContact CD1-CG2 3.56Å; L682-I720 HydrophobicContact CG-CD1 4.3Å; L682-L730 HydrophobicContact CD2-CB 4.09Å; L682-L730 HydrophobicContact CD2-CD2 4.47Å; L682-H731 WeakPolarHBondContact CA-O 2.92Å; L682-L732 HydrophobicContact CD2-CB 4.33Å; L682-L732 HydrophobicContact CD2-CD1 4.25Å; L682-L732 HydrophobicContact CG-CD1 4.18Å |
| 683 | K | 88.1 | Confident | 78.5 | Confident | 82 Ų | 82 | 59 Ų | 59 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.1 | -179.9 | -174.4 | 171.8 | -177.4 | 168.8 | 0 | 110.6 | H731 M733 | K683-H731 HydrophobicContact CB-CB 4.35Å; K683-H731 PolarHBondContact N-O 3.22Å; K683-H731 PolarHBondContact O-N 3.11Å; K683-M733 HydrophobicContact CB-CE 4.34Å; K683-M733 HydrophobicContact CB-SD 4.37Å; K683-M733 HydrophobicContact CD-CE 3.95Å; K683-M733 HydrophobicContact CD-SD 4.28Å |
| 684 | D | 85.4 | Confident | 78.6 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.8 | 170.3 | 179.8 | 4.7 | 0 | 0 | 0 | 109.4 | S686 K687 R688 A705 T728 L730 | D684-S686 PolarHBondContact O-N 3.13Å; D684-S686 PolarHBondContact OD1-N 3.18Å; D684-S686 WeakPolarHBondContact OD2-CB 3.35Å; D684-S686 PolarHBondContact OD2-OG 3.45Å; D684-K687 PolarHBondContact O-N 3.43Å; D684-R688 PolarHBondContact N-O 2.98Å; D684-A705 HydrophobicContact CB-CB 4.47Å; D684-A705 VanDerWaalsContact OD2-CA 3.23Å; D684-A705 WeakPolarHBondContact OD2-CA 3.47Å; D684-A705 PolarHBondContact OD2-N 3.29Å; D684-T728 VanDerWaalsContact CG-OG1 3.28Å; D684-T728 VanDerWaalsContact OD1-CB 3.32Å; D684-T728 WeakPolarHBondContact OD1-CB 3.18Å; D684-T728 PolarHBondContact OD1-OG1 3.02Å; D684-T728 PolarHBondContact OD2-OG1 3.44Å; D684-L730 HydrophobicContact CB-CD2 4.16Å |
| 685 | S | 77.8 | Confident | 79 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | -29.9 | 163.8 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | K687 T728 | S685-K687 PolarHBondContact O-N 2.74Å; S685-T728 WeakPolarHBondContact OG-CB 3.44Å |
| 686 | S | 70.2 | Confident | 79.7 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 10.8 | 178.6 | 75.2 | 0 | 0 | 0 | 0 | 116 | D684 R688 | D684-S686 PolarHBondContact O-N 3.13Å; D684-S686 PolarHBondContact OD1-N 3.18Å; D684-S686 WeakPolarHBondContact OD2-CB 3.35Å; D684-S686 PolarHBondContact OD2-OG 3.45Å; S686-R688 PolarHBondContact O-N 3.39Å |
| 687 | K | 65.9 | Low | 80.3 | Confident | 190 Ų | 190 | 60.9 Ų | 60.9 | 83% | 0.826 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 66.8 | 5.1 | -174.8 | -56.5 | -176.3 | 176.4 | -177.4 | 0 | 116 | D684 S685 | D684-K687 PolarHBondContact O-N 3.43Å; S685-K687 PolarHBondContact O-N 2.74Å |
| 688 | R | 78.7 | Confident | 80.6 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -80.3 | 142 | 168.1 | -65.3 | -174 | 179.4 | -168.6 | -0.2 | 110.5 | D684 S686 E703 L704 | D684-R688 PolarHBondContact N-O 2.98Å; S686-R688 PolarHBondContact O-N 3.39Å; R688-E703 WeakPolarHBondContact CD-O 3.47Å; R688-E703 PolarHBondContact NH1-O 2.94Å; R688-E703 IonicContact NH1-OE2 2.73Å; R688-E703 PolarHBondContact NH1-OE2 2.67Å; R688-E703 VanDerWaalsContact NH1-OE2 3.12Å; R688-L704 HydrophobicContact CB-CG 4.18Å | ||
| 689 | S | 86.1 | Confident | 80.8 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 158.7 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | L682 S692 | L682-S689 CarbonylContact O-C 3.41Å; L682-S689 WeakPolarHBondContact O-CA 3.3Å; L682-S689 VanDerWaalsContact O-CB 3.23Å; L682-S689 WeakPolarHBondContact O-CB 3.24Å; S689-S692 WeakPolarHBondContact OG-CB 3.35Å |
| 690 | I | 87.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.4 | 167.5 | -55.7 | 169.7 | 0 | 0 | 0 | 106.3 | A681 L682 S692 F702 L704 V709 Y711 | A681-I690 VanDerWaalsContact CA-O 3.29Å; A681-I690 WeakPolarHBondContact CA-O 3.22Å; A681-I690 WeakPolarHBondContact CB-O 3.09Å; L682-I690 PolarHBondContact N-O 3.43Å; L682-I690 PolarHBondContact O-N 3.49Å; I690-S692 PolarHBondContact O-N 3.16Å; I690-F702 HydrophobicContact CD1-CB 3.86Å; I690-F702 HydrophobicContact CD1-CD2 3.79Å; I690-F702 HydrophobicContact CD1-CG 3.95Å; I690-F702 HydrophobicContact CG1-CB 3.99Å; I690-F702 HydrophobicContact CG1-CD1 4.31Å; I690-F702 HydrophobicContact CG1-CD2 4.04Å; I690-F702 HydrophobicContact CG1-CG 3.87Å; I690-F702 HydrophobicContact CG2-CE2 4.41Å; I690-L704 HydrophobicContact CD1-CD1 4.14Å; I690-L704 HydrophobicContact CD1-CD2 4.26Å; I690-L704 HydrophobicContact CG1-CD1 3.86Å; I690-L704 HydrophobicContact CG1-CD2 3.94Å; I690-V709 HydrophobicContact CD1-CB 4Å; I690-V709 HydrophobicContact CD1-CG1 3.58Å; I690-Y711 HydrophobicContact CG2-CD1 4.24Å; I690-Y711 HydrophobicContact CG2-CG 4.31Å |
| 691 | N | 84.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 54.7 | 29.9 | 178.7 | -62.6 | -17.7 | 0 | 0 | 0 | 115.4 | Y655 L680 A681 K695 I696 E697 Y711 | Y655-N691 WeakPolarHBondContact CE1-O 2.93Å; Y655-N691 VanDerWaalsContact CZ-O 3.26Å; Y655-N691 PolarHBondContact OH-O 3.03Å; L680-N691 WeakPolarHBondContact O-CB 3.42Å; L680-N691 PolarHBondContact O-ND2 2.94Å; A681-N691 HydrophobicContact CB-CB 3.93Å; A681-N691 WeakPolarHBondContact CB-O 3.23Å; N691-K695 CarbonylContact C-O 3.28Å; N691-K695 VanDerWaalsContact CA-O 3.28Å; N691-K695 WeakPolarHBondContact CA-O 3.46Å; N691-I696 HydrophobicContact CB-CD1 4.23Å; N691-E697 PolarHBondContact OD1-N 3.14Å; N691-Y711 PolarHBondContact ND2-OH 3.27Å |
| 692 | S | 74.1 | Confident | 79.9 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -89.3 | 169.8 | 174.8 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | S689 I690 W694 K695 | S689-S692 WeakPolarHBondContact OG-CB 3.35Å; I690-S692 PolarHBondContact O-N 3.16Å; S692-W694 PolarHBondContact O-N 3.45Å; S692-K695 PolarHBondContact O-N 3.48Å | ||
| 693 | D | 77.1 | Confident | 79.6 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 35.6 | 166.5 | -51.2 | -4.8 | 0 | 0 | 0 | 112.8 | K695 | D693-K695 PolarHBondContact O-N 2.89Å; D693-K695 VanDerWaalsContact O-N 3.16Å |
| 694 | W | 73.4 | Confident | 79.4 | Confident | 168 Ų | 168 | 70.9 Ų | 70.9 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 10 | -178 | -57.4 | 85.4 | 0 | 0 | 0 | 115.2 | Y655 S692 L735 F737 | Y655-W694 HydrophobicContact CE2-CD2 4.45Å; Y655-W694 HydrophobicContact CE2-CG 4.35Å; Y655-W694 WeakPolarHBondContact OH-CA 3.36Å; Y655-W694 PolarHBondContact OH-N 2.94Å; S692-W694 PolarHBondContact O-N 3.45Å; W694-L735 HydrophobicContact CE3-CD1 4.11Å; W694-L735 HydrophobicContact CE3-CD2 4.45Å; W694-L735 HydrophobicContact CH2-CD1 4.19Å; W694-L735 HydrophobicContact CZ3-CD1 3.89Å; W694-F737 HydrophobicContact CZ3-CE1 4.29Å |
| 695 | K | 76.1 | Confident | 79.2 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 117.2 | 177.3 | -171.8 | -164.5 | 175.8 | -153.4 | 0 | 109.9 | N691 S692 D693 E697 | N691-K695 CarbonylContact C-O 3.28Å; N691-K695 VanDerWaalsContact CA-O 3.28Å; N691-K695 WeakPolarHBondContact CA-O 3.46Å; S692-K695 PolarHBondContact O-N 3.48Å; D693-K695 PolarHBondContact O-N 2.89Å; D693-K695 VanDerWaalsContact O-N 3.16Å; K695-E697 WeakPolarHBondContact CE-OE1 3.48Å; K695-E697 VanDerWaalsContact NZ-CD 3.27Å; K695-E697 IonicContact NZ-OE1 3.57Å; K695-E697 PolarHBondContact NZ-OE1 3.46Å; K695-E697 IonicContact NZ-OE2 3.01Å; K695-E697 PolarHBondContact NZ-OE2 3.24Å; K695-E697 VanDerWaalsContact NZ-OE2 3.16Å |
| 696 | I | 80.8 | Confident | 79.1 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.297 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 123.3 | 172.6 | -52.9 | -51.7 | 0 | 0 | 0 | 109.5 | F679 N691 L735 | F679-I696 HydrophobicContact CB-CD1 3.8Å; F679-I696 HydrophobicContact CD1-CB 4.38Å; F679-I696 HydrophobicContact CD1-CD1 3.55Å; F679-I696 HydrophobicContact CD1-CG1 3.79Å; F679-I696 HydrophobicContact CD1-CG2 3.66Å; F679-I696 HydrophobicContact CD2-CD1 3.93Å; F679-I696 HydrophobicContact CD2-CG1 4.39Å; F679-I696 HydrophobicContact CE1-CB 4.23Å; F679-I696 HydrophobicContact CE1-CD1 4.01Å; F679-I696 HydrophobicContact CE1-CG1 3.7Å; F679-I696 HydrophobicContact CE1-CG2 3.58Å; F679-I696 HydrophobicContact CE2-CD1 4.38Å; F679-I696 HydrophobicContact CE2-CG1 4.35Å; F679-I696 HydrophobicContact CG-CD1 3.49Å; F679-I696 VanDerWaalsContact CG-CD1 3.49Å; F679-I696 HydrophobicContact CG-CG1 4.12Å; F679-I696 HydrophobicContact CZ-CD1 4.41Å; F679-I696 HydrophobicContact CZ-CG1 4Å; N691-I696 HydrophobicContact CB-CD1 4.23Å; I696-L735 HydrophobicContact CD1-CD2 4.21Å |
| 697 | E | 79.5 | Confident | 79.8 | Confident | 60 Ų | 60 | 67 Ų | 67 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 161.1 | 175.1 | -63.2 | -66.9 | -179.9 | 0 | 0 | 111.3 | N691 K695 F702 Y711 | N691-E697 PolarHBondContact OD1-N 3.14Å; K695-E697 WeakPolarHBondContact CE-OE1 3.48Å; K695-E697 VanDerWaalsContact NZ-CD 3.27Å; K695-E697 IonicContact NZ-OE1 3.57Å; K695-E697 PolarHBondContact NZ-OE1 3.46Å; K695-E697 IonicContact NZ-OE2 3.01Å; K695-E697 PolarHBondContact NZ-OE2 3.24Å; K695-E697 VanDerWaalsContact NZ-OE2 3.16Å; E697-F702 HydrophobicContact CB-CE1 4.21Å; E697-F702 HydrophobicContact CB-CZ 3.89Å; E697-F702 HydrophobicContact CG-CE1 4.3Å; E697-F702 HydrophobicContact CG-CZ 4.47Å; E697-Y711 WeakPolarHBondContact O-CE1 3.33Å |
| 698 | L | 76.9 | Confident | 80.5 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 76% | 0.764 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 153.2 | 173.8 | -68.5 | 171.6 | 0 | 0 | 0 | 111.2 | G700 F702 | L698-G700 PolarHBondContact O-N 2.82Å; L698-F702 WeakPolarHBondContact O-CZ 3.45Å |
| 699 | P | 83.4 | Confident | 80.9 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -56.3 | 133.4 | 173.9 | -27.1 | 38 | 0 | 0 | 0 | 112 | Y711 R713 | P699-Y711 CarbonylContact C-O 3.56Å; P699-Y711 WeakPolarHBondContact CA-O 3.44Å; P699-R713 HydrophobicContact CG-CB 3.71Å |
| 700 | G | 78.4 | Confident | 80.9 | Confident | 28 Ų | 28 | 60 Ų | 60 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -173.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L698 F702 Y711 | L698-G700 PolarHBondContact O-N 2.82Å; G700-F702 WeakPolarHBondContact O-CE2 3.31Å; G700-Y711 PolarHBondContact N-O 3.4Å; G700-Y711 PolarHBondContact O-N 2.91Å |
| 701 | D | 81.3 | Confident | 81 | Confident | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.4 | -179.3 | -66.7 | -29.5 | 0 | 0 | 0 | 110.5 | Y602 M708 R710 | Y602-D701 WeakPolarHBondContact CE1-OD2 3.32Å; D701-M708 HydrophobicContact CB-CE 3.78Å; D701-R710 WeakPolarHBondContact OD1-CA 3.38Å; D701-R710 WeakPolarHBondContact OD1-CB 3.38Å; D701-R710 VanDerWaalsContact OD1-CD 3.23Å; D701-R710 WeakPolarHBondContact OD1-CD 3.49Å; D701-R710 WeakPolarHBondContact OD1-CG 3.34Å; D701-R710 IonicContact OD1-NE 2.83Å |
| 702 | F | 84.1 | Confident | 81.1 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 21% | 0.211 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141 | -172.6 | -57.8 | -97.5 | 0 | 0 | 0 | 111.8 | I690 E697 L698 G700 L704 V709 Y711 | I690-F702 HydrophobicContact CD1-CB 3.86Å; I690-F702 HydrophobicContact CD1-CD2 3.79Å; I690-F702 HydrophobicContact CD1-CG 3.95Å; I690-F702 HydrophobicContact CG1-CB 3.99Å; I690-F702 HydrophobicContact CG1-CD1 4.31Å; I690-F702 HydrophobicContact CG1-CD2 4.04Å; I690-F702 HydrophobicContact CG1-CG 3.87Å; I690-F702 HydrophobicContact CG2-CE2 4.41Å; E697-F702 HydrophobicContact CB-CE1 4.21Å; E697-F702 HydrophobicContact CB-CZ 3.89Å; E697-F702 HydrophobicContact CG-CE1 4.3Å; E697-F702 HydrophobicContact CG-CZ 4.47Å; L698-F702 WeakPolarHBondContact O-CZ 3.45Å; G700-F702 WeakPolarHBondContact O-CE2 3.31Å; F702-L704 HydrophobicContact CB-CD1 3.55Å; F702-L704 PolarHBondContact O-N 3.31Å; F702-V709 PolarHBondContact N-O 3.26Å; F702-V709 PolarHBondContact O-N 2.7Å; F702-Y711 HydrophobicContact CE2-CD1 4.28Å |
| 703 | E | 83.8 | Confident | 81.5 | Confident | 81 Ų | 81 | 65 Ų | 65 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 94.4 | -179.8 | -171 | -173.8 | -141.2 | 0 | 0 | 111.3 | K537 R688 M708 | K537-E703 IonicContact NZ-OE1 3.99Å; K537-E703 PolarHBondContact NZ-OE1 2.73Å; K537-E703 IonicContact NZ-OE2 3.79Å; K537-E703 PolarHBondContact NZ-OE2 3.21Å; R688-E703 WeakPolarHBondContact CD-O 3.47Å; R688-E703 PolarHBondContact NH1-O 2.94Å; R688-E703 IonicContact NH1-OE2 2.73Å; R688-E703 PolarHBondContact NH1-OE2 2.67Å; R688-E703 VanDerWaalsContact NH1-OE2 3.12Å; E703-M708 HydrophobicContact CB-SD 3.87Å; E703-M708 HydrophobicContact CG-SD 4.24Å |
| 704 | L | 83.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.8 | -178.8 | -82 | 75.8 | 0 | 0 | 0 | 111.3 | L682 R688 I690 F702 G706 T707 V709 L730 | L682-L704 HydrophobicContact CB-CD2 4.23Å; R688-L704 HydrophobicContact CB-CG 4.18Å; I690-L704 HydrophobicContact CD1-CD1 4.14Å; I690-L704 HydrophobicContact CD1-CD2 4.26Å; I690-L704 HydrophobicContact CG1-CD1 3.86Å; I690-L704 HydrophobicContact CG1-CD2 3.94Å; F702-L704 HydrophobicContact CB-CD1 3.55Å; F702-L704 PolarHBondContact O-N 3.31Å; L704-G706 PolarHBondContact O-N 3.01Å; L704-T707 PolarHBondContact N-O 3.5Å; L704-T707 VanDerWaalsContact N-O 3.12Å; L704-T707 PolarHBondContact O-N 3.12Å; L704-V709 HydrophobicContact CB-CG2 3.97Å; L704-L730 HydrophobicContact CB-CD2 4.24Å |
| 705 | A | 81.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 31.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D684 T707 T726 K727 T728 L730 | D684-A705 HydrophobicContact CB-CB 4.47Å; D684-A705 VanDerWaalsContact OD2-CA 3.23Å; D684-A705 WeakPolarHBondContact OD2-CA 3.47Å; D684-A705 PolarHBondContact OD2-N 3.29Å; A705-T707 VanDerWaalsContact C-N 3.29Å; A705-T707 PolarHBondContact O-N 3.31Å; A705-T726 HydrophobicContact CB-CG2 4.43Å; A705-K727 PolarHBondContact O-N 3.04Å; A705-T728 VanDerWaalsContact CA-OG1 3.3Å; A705-T728 WeakPolarHBondContact CA-OG1 3.25Å; A705-T728 WeakPolarHBondContact CB-OG1 3.27Å; A705-L730 HydrophobicContact CB-CD1 4.07Å; A705-L730 HydrophobicContact CB-CD2 3.48Å; A705-L730 VanDerWaalsContact CB-CD2 3.48Å; A705-L730 HydrophobicContact CB-CG 3.53Å |
| 706 | G | 76.3 | Confident | 81.6 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 11.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L704 | L704-G706 PolarHBondContact O-N 3.01Š|
| 707 | T | 83.4 | Confident | 81.7 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 166.9 | 174.2 | -163.4 | 0 | 0 | 0 | 0 | 111 | L704 A705 V709 A722 G724 T726 | L704-T707 PolarHBondContact N-O 3.5Å; L704-T707 VanDerWaalsContact N-O 3.12Å; L704-T707 PolarHBondContact O-N 3.12Å; A705-T707 VanDerWaalsContact C-N 3.29Å; A705-T707 PolarHBondContact O-N 3.31Å; T707-V709 HydrophobicContact CG2-CG2 4.29Å; T707-A722 HydrophobicContact CG2-CB 4Å; T707-G724 PolarHBondContact OG1-N 3.27Å; T707-G724 PolarHBondContact OG1-O 3.48Å; T707-T726 HydrophobicContact CG2-CG2 4.39Å |
| 708 | M | 81.8 | Confident | 82 | Confident | 100 Ų | 100 | 58.7 Ų | 58.7 | 49% | 0.493 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.9 | 173.5 | -69.9 | -58 | -59.3 | 0 | 0 | 109.6 | D701 E703 | D701-M708 HydrophobicContact CB-CE 3.78Å; E703-M708 HydrophobicContact CB-SD 3.87Å; E703-M708 HydrophobicContact CG-SD 4.24Å |
| 709 | V | 87.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.1 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | L682 I690 F702 L704 T707 I720 A722 | L682-V709 HydrophobicContact CD1-CG1 3.8Å; I690-V709 HydrophobicContact CD1-CB 4Å; I690-V709 HydrophobicContact CD1-CG1 3.58Å; F702-V709 PolarHBondContact N-O 3.26Å; F702-V709 PolarHBondContact O-N 2.7Å; L704-V709 HydrophobicContact CB-CG2 3.97Å; T707-V709 HydrophobicContact CG2-CG2 4.29Å; V709-I720 HydrophobicContact CG1-CG2 3.34Å; V709-A722 HydrophobicContact CB-CB 4.48Å; V709-A722 HydrophobicContact CG2-CB 4Å |
| 710 | R | 85.8 | Confident | 82.9 | Confident | 111 Ų | 111 | 51.4 Ų | 51.4 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120 | 176.9 | -179.7 | 160 | -175.5 | 148.1 | -3.3 | 110.2 | D701 V712 I720 S721 | D701-R710 WeakPolarHBondContact OD1-CA 3.38Å; D701-R710 WeakPolarHBondContact OD1-CB 3.38Å; D701-R710 VanDerWaalsContact OD1-CD 3.23Å; D701-R710 WeakPolarHBondContact OD1-CD 3.49Å; D701-R710 WeakPolarHBondContact OD1-CG 3.34Å; D701-R710 IonicContact OD1-NE 2.83Å; R710-V712 HydrophobicContact CG-CG2 3.98Å; R710-I720 WeakPolarHBondContact O-CA 3.45Å; R710-S721 PolarHBondContact N-O 3.47Å; R710-S721 PolarHBondContact O-N 3.04Å |
| 711 | Y | 89.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 176.1 | 164.4 | -120.8 | 0 | 0 | 0 | 109.8 | I690 N691 E697 P699 G700 F702 E718 I720 | I690-Y711 HydrophobicContact CG2-CD1 4.24Å; I690-Y711 HydrophobicContact CG2-CG 4.31Å; N691-Y711 PolarHBondContact ND2-OH 3.27Å; E697-Y711 WeakPolarHBondContact O-CE1 3.33Å; P699-Y711 CarbonylContact C-O 3.56Å; P699-Y711 WeakPolarHBondContact CA-O 3.44Å; G700-Y711 PolarHBondContact N-O 3.4Å; G700-Y711 PolarHBondContact O-N 2.91Å; F702-Y711 HydrophobicContact CE2-CD1 4.28Å; Y711-E718 HydrophobicContact CE2-CG 4.33Å; Y711-E718 PolarHBondContact OH-OE1 2.92Å; Y711-I720 HydrophobicContact CD2-CD1 4.36Å; Y711-I720 HydrophobicContact CD2-CG1 3.86Å |
| 712 | V | 85.9 | Confident | 83.7 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.6 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | R710 R714 K719 | R710-V712 HydrophobicContact CG-CG2 3.98Å; V712-R714 HydrophobicContact CG1-CG 4.49Å; V712-K719 PolarHBondContact N-O 2.92Å; V712-K719 PolarHBondContact O-N 3.26Å |
| 713 | R | 81.3 | Confident | 83.5 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.6 | 174.5 | -168.4 | 167.5 | -166 | -121.4 | -7.8 | 109.9 | P699 G715 W717 E718 | P699-R713 HydrophobicContact CG-CB 3.71Å; R713-G715 WeakPolarHBondContact CG-O 3.36Å; R713-W717 WeakPolarHBondContact CA-O 3.23Å; R713-E718 HydrophobicContact CB-CG 4.39Å; R713-E718 VanDerWaalsContact CD-OE1 3.25Å; R713-E718 WeakPolarHBondContact CD-OE1 3.49Å; R713-E718 HydrophobicContact CG-CG 3.87Å; R713-E718 IonicContact CZ-OE1 3.62Å; R713-E718 IonicContact NE-OE1 3.92Å; R713-E718 PolarHBondContact NE-OE1 2.86Å |
| 714 | R | 79.5 | Confident | 83.2 | Confident | 193 Ų | 193 | 51 Ų | 51 | 73% | 0.728 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 94.9 | 175.7 | -70.7 | -175.7 | 173.7 | -172.2 | -3.2 | 108.5 | V712 L716 W717 | V712-R714 HydrophobicContact CG1-CG 4.49Å; R714-L716 PolarHBondContact O-N 2.86Å; R714-W717 HydrophobicContact CB-CE3 4.34Å; R714-W717 PolarHBondContact N-O 3.1Å; R714-W717 PolarHBondContact O-N 3.36Å; R714-W717 VanDerWaalsContact O-N 3.15Å |
| 715 | G | 77.3 | Confident | 83.1 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -119.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R713 | R713-G715 WeakPolarHBondContact CG-O 3.36Š|
| 716 | L | 73.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.6 | 175.4 | -68.9 | 177.2 | 0 | 0 | 0 | 113.7 | P675 L676 R714 | P675-L716 WeakPolarHBondContact CA-O 3.5Å; P675-L716 HydrophobicContact CB-CB 3.71Å; L676-L716 PolarHBondContact N-O 3.36Å; R714-L716 PolarHBondContact O-N 2.86Å |
| 717 | W | 82.7 | Confident | 83.7 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.6 | 178.5 | -179.6 | 80.2 | 0 | 0 | 0 | 111.6 | E672 P675 R713 R714 K719 | E672-W717 PolarHBondContact O-NE1 2.87Å; P675-W717 HydrophobicContact CB-CB 4.24Å; R713-W717 WeakPolarHBondContact CA-O 3.23Å; R714-W717 HydrophobicContact CB-CE3 4.34Å; R714-W717 PolarHBondContact N-O 3.1Å; R714-W717 PolarHBondContact O-N 3.36Å; R714-W717 VanDerWaalsContact O-N 3.15Å; W717-K719 HydrophobicContact CH2-CB 3.51Å; W717-K719 HydrophobicContact CH2-CD 3.62Å; W717-K719 HydrophobicContact CH2-CG 4.22Å; W717-K719 HydrophobicContact CZ2-CB 4.01Å; W717-K719 HydrophobicContact CZ2-CD 4.27Å; W717-K719 HydrophobicContact CZ3-CB 3.8Å; W717-K719 HydrophobicContact CZ3-CD 4.45Å |
| 718 | E | 86.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.5 | -177.5 | -65.9 | -171.7 | 170.8 | 0 | 0 | 114 | E672 F679 L680 Y711 R713 | E672-E718 PolarHBondContact N-O 3.36Å; F679-E718 WeakPolarHBondContact CA-OE2 3.45Å; F679-E718 VanDerWaalsContact CD1-OE1 3.23Å; F679-E718 WeakPolarHBondContact CD1-OE1 3.32Å; L680-E718 HydrophobicContact CD1-CB 3.87Å; L680-E718 HydrophobicContact CG-CB 4.16Å; L680-E718 PolarHBondContact N-OE2 3.15Å; Y711-E718 HydrophobicContact CE2-CG 4.33Å; Y711-E718 PolarHBondContact OH-OE1 2.92Å; R713-E718 HydrophobicContact CB-CG 4.39Å; R713-E718 VanDerWaalsContact CD-OE1 3.25Å; R713-E718 WeakPolarHBondContact CD-OE1 3.49Å; R713-E718 HydrophobicContact CG-CG 3.87Å; R713-E718 IonicContact CZ-OE1 3.62Å; R713-E718 IonicContact NE-OE1 3.92Å; R713-E718 PolarHBondContact NE-OE1 2.86Å |
| 719 | K | 88 | Confident | 84.1 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 27% | 0.265 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 134.5 | 174.6 | 171.6 | 167.6 | -178.7 | 166.9 | 0 | 111 | V670 M671 V712 W717 | V670-K719 WeakPolarHBondContact O-CA 3.22Å; M671-K719 HydrophobicContact CG-CD 3.99Å; M671-K719 HydrophobicContact CG-CG 4.07Å; M671-K719 HydrophobicContact SD-CD 4.07Å; V712-K719 PolarHBondContact N-O 2.92Å; V712-K719 PolarHBondContact O-N 3.26Å; W717-K719 HydrophobicContact CH2-CB 3.51Å; W717-K719 HydrophobicContact CH2-CD 3.62Å; W717-K719 HydrophobicContact CH2-CG 4.22Å; W717-K719 HydrophobicContact CZ2-CB 4.01Å; W717-K719 HydrophobicContact CZ2-CD 4.27Å; W717-K719 HydrophobicContact CZ3-CB 3.8Å; W717-K719 HydrophobicContact CZ3-CD 4.45Å |
| 720 | I | 90.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.2 | 169.2 | -56.5 | 174.9 | 0 | 0 | 0 | 109.7 | K669 V670 L680 L682 V709 R710 Y711 | K669-I720 WeakPolarHBondContact CA-O 3.2Å; V670-I720 HydrophobicContact CB-CB 4.4Å; V670-I720 PolarHBondContact N-O 3.41Å; V670-I720 PolarHBondContact O-N 3.48Å; L680-I720 HydrophobicContact CB-CD1 3.68Å; L680-I720 HydrophobicContact CB-CG1 4.34Å; L680-I720 HydrophobicContact CD1-CD1 4.41Å; L680-I720 HydrophobicContact CD1-CG1 4.29Å; L682-I720 HydrophobicContact CD1-CB 4.42Å; L682-I720 HydrophobicContact CD1-CD1 3.92Å; L682-I720 HydrophobicContact CD1-CG2 3.56Å; L682-I720 HydrophobicContact CG-CD1 4.3Å; V709-I720 HydrophobicContact CG1-CG2 3.34Å; R710-I720 WeakPolarHBondContact O-CA 3.45Å; Y711-I720 HydrophobicContact CD2-CD1 4.36Å; Y711-I720 HydrophobicContact CD2-CG1 3.86Å |
| 721 | S | 89.8 | Confident | 84.4 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.2 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | I668 R710 | I668-S721 CarbonylContact O-C 3.5Å; I668-S721 VanDerWaalsContact O-CA 3.25Å; I668-S721 WeakPolarHBondContact O-CA 3.5Å; R710-S721 PolarHBondContact N-O 3.47Å; R710-S721 PolarHBondContact O-N 3.04Å |
| 722 | A | 86.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R667 I668 T707 V709 | R667-A722 CarbonylContact C-O 3.12Å; R667-A722 WeakPolarHBondContact CA-O 3.12Å; I668-A722 HydrophobicContact CB-CB 4.26Å; I668-A722 HydrophobicContact CD1-CB 4.43Å; I668-A722 PolarHBondContact N-O 2.9Å; I668-A722 PolarHBondContact O-N 2.96Å; T707-A722 HydrophobicContact CG2-CB 4Å; V709-A722 HydrophobicContact CB-CB 4.48Å; V709-A722 HydrophobicContact CG2-CB 4Å |
| 723 | K | 80.3 | Confident | 84.5 | Confident | 155 Ų | 155 | 54.2 Ų | 54.2 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | trans | -77.8 | -32.6 | -177.5 | -70.6 | -173.5 | 176.9 | -177.6 | 0 | 113 | R667 | R667-K723 PolarHBondContact N-O 3.18Š| ||
| 724 | G | 76.2 | Confident | 84.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 83.9 | -173.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | T707 | T707-G724 PolarHBondContact OG1-N 3.27Å; T707-G724 PolarHBondContact OG1-O 3.48Å |
| 725 | P | 82.9 | Confident | 84.9 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 38% | 0.377 | 23% | 0.225 | S | C | . | . | cis | -69 | 141.4 | -12.3 | 28.6 | -30 | 0 | 0 | 0 | 110.8 | A665 W666 | A665-P725 WeakPolarHBondContact O-CA 3.47Å; W666-P725 HydrophobicContact CD2-CB 4.33Å; W666-P725 HydrophobicContact CH2-CG 4.27Å; W666-P725 HydrophobicContact CZ2-CB 3.87Å; W666-P725 HydrophobicContact CZ2-CG 3.79Å | ||
| 726 | T | 85.1 | Confident | 85.1 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | trans | -67.6 | 132.9 | 167.7 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | P662 A663 G664 A665 I668 A705 T707 T728 L730 | P662-T726 PolarHBondContact O-OG1 3.03Å; A663-T726 WeakPolarHBondContact CA-OG1 3.09Å; G664-T726 PolarHBondContact N-O 2.95Å; G664-T726 PolarHBondContact N-OG1 2.95Å; G664-T726 VanDerWaalsContact N-OG1 3.13Å; A665-T726 PolarHBondContact N-OG1 3.12Å; A665-T726 PolarHBondContact O-N 3.28Å; A665-T726 VanDerWaalsContact O-N 3.09Å; I668-T726 HydrophobicContact CD1-CG2 3.6Å; A705-T726 HydrophobicContact CB-CG2 4.43Å; T707-T726 HydrophobicContact CG2-CG2 4.39Å; T726-T728 WeakPolarHBondContact CB-O 3.34Å; T726-L730 HydrophobicContact CG2-CD1 3.7Å; T726-L730 HydrophobicContact CG2-CG 4.21Å | ||
| 727 | K | 83.4 | Confident | 85 | Confident | 163 Ų | 163 | 39 Ų | 39 | 71% | 0.709 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -86.5 | -25.9 | 174.8 | -65.6 | -173.3 | 177 | 177.8 | 0 | 112.7 | A705 | A705-K727 PolarHBondContact O-N 3.04Š|
| 728 | T | 85.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -134 | 159 | -179.7 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | D684 S685 A705 T726 | D684-T728 VanDerWaalsContact CG-OG1 3.28Å; D684-T728 VanDerWaalsContact OD1-CB 3.32Å; D684-T728 WeakPolarHBondContact OD1-CB 3.18Å; D684-T728 PolarHBondContact OD1-OG1 3.02Å; D684-T728 PolarHBondContact OD2-OG1 3.44Å; S685-T728 WeakPolarHBondContact OG-CB 3.44Å; A705-T728 VanDerWaalsContact CA-OG1 3.3Å; A705-T728 WeakPolarHBondContact CA-OG1 3.25Å; A705-T728 WeakPolarHBondContact CB-OG1 3.27Å; T726-T728 WeakPolarHBondContact CB-O 3.34Å |
| 729 | P | 88 | Confident | 83.2 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 29% | 0.286 | 24% | 0.235 | S | C | . | . | trans | -64.7 | 142 | 176.5 | 26.7 | -34.3 | 0 | 0 | 0 | 111.7 | V660 I661 | V660-P729 HydrophobicContact CG1-CB 3.97Å; I661-P729 CarbonylContact O-C 3.53Å; I661-P729 VanDerWaalsContact O-CA 3.29Å; I661-P729 WeakPolarHBondContact O-CA 3.41Å | ||
| 730 | L | 89.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121 | 175 | -80 | 176.6 | 0 | 0 | 0 | 109.8 | I661 I668 L682 D684 L704 A705 T726 | I661-L730 HydrophobicContact CB-CB 4.24Å; I661-L730 PolarHBondContact N-O 3.01Å; I661-L730 PolarHBondContact O-N 3.27Å; I668-L730 HydrophobicContact CD1-CD1 4.19Å; L682-L730 HydrophobicContact CD2-CB 4.09Å; L682-L730 HydrophobicContact CD2-CD2 4.47Å; D684-L730 HydrophobicContact CB-CD2 4.16Å; L704-L730 HydrophobicContact CB-CD2 4.24Å; A705-L730 HydrophobicContact CB-CD1 4.07Å; A705-L730 HydrophobicContact CB-CD2 3.48Å; A705-L730 VanDerWaalsContact CB-CD2 3.48Å; A705-L730 HydrophobicContact CB-CG 3.53Å; T726-L730 HydrophobicContact CG2-CD1 3.7Å; T726-L730 HydrophobicContact CG2-CG 4.21Å |
| 731 | H | 89.4 | Confident | 80.7 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.218 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 109.5 | 176.4 | -62.1 | -105.5 | 0 | 0 | 0 | 108.5 | E657 L682 K683 M733 | E657-H731 IonicContact OE1-CE1 3.72Å; E657-H731 IonicContact OE1-CG 2.79Å; E657-H731 IonicContact OE1-ND1 2.74Å; E657-H731 PolarHBondContact OE1-ND1 2.88Å; L682-H731 WeakPolarHBondContact CA-O 2.92Å; K683-H731 HydrophobicContact CB-CB 4.35Å; K683-H731 PolarHBondContact N-O 3.22Å; K683-H731 PolarHBondContact O-N 3.11Å; H731-M733 HydrophobicContact CB-CE 4.01Å |
| 732 | L | 89.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 122.3 | 170.6 | -179.6 | 66.3 | 0 | 0 | 0 | 108.4 | A658 V659 V670 L682 | A658-L732 HydrophobicContact CB-CD2 4.05Å; A658-L732 HydrophobicContact CB-CG 4.16Å; A658-L732 PolarHBondContact N-O 3.06Å; V659-L732 HydrophobicContact CG1-CB 3.93Å; V659-L732 HydrophobicContact CG1-CD2 3.93Å; V659-L732 WeakPolarHBondContact O-CB 3.08Å; V659-L732 PolarHBondContact O-N 3.1Å; V670-L732 HydrophobicContact CB-CD1 4.49Å; V670-L732 HydrophobicContact CB-CD2 4.43Å; V670-L732 HydrophobicContact CG1-CD1 4.1Å; V670-L732 HydrophobicContact CG1-CD2 3.75Å; V670-L732 HydrophobicContact CG2-CD1 3.99Å; V670-L732 HydrophobicContact CG2-CD2 3.79Å; L682-L732 HydrophobicContact CD2-CB 4.33Å; L682-L732 HydrophobicContact CD2-CD1 4.25Å; L682-L732 HydrophobicContact CG-CD1 4.18Å |
| 733 | M | 87.7 | Confident | 79.1 | Confident | 30 Ų | 30 | 50 Ų | 50 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 155.7 | 177.8 | -63.7 | 179 | 177.2 | 0 | 0 | 109.8 | Y655 V656 A681 K683 H731 | Y655-M733 HydrophobicContact CD1-CB 4.28Å; V656-M733 CarbonylContact O-C 3.41Å; V656-M733 VanDerWaalsContact O-CA 3.27Å; V656-M733 WeakPolarHBondContact O-CA 3.5Å; A681-M733 HydrophobicContact CB-CB 4.06Å; A681-M733 PolarHBondContact N-O 2.82Å; A681-M733 PolarHBondContact O-N 3.06Å; K683-M733 HydrophobicContact CB-CE 4.34Å; K683-M733 HydrophobicContact CB-SD 4.37Å; K683-M733 HydrophobicContact CD-CE 3.95Å; K683-M733 HydrophobicContact CD-SD 4.28Å; H731-M733 HydrophobicContact CB-CE 4.01Å |
| 734 | V | 86.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.2 | 176.8 | -163.8 | 0 | 0 | 0 | 0 | 108.2 | F647 Y655 V656 A658 F679 L680 L736 I744 | F647-V734 HydrophobicContact CD1-CG2 4Å; F647-V734 HydrophobicContact CE1-CB 4.2Å; F647-V734 HydrophobicContact CE1-CG2 3.78Å; Y655-V734 WeakPolarHBondContact CA-O 3.34Å; V656-V734 PolarHBondContact N-O 3.37Å; V656-V734 PolarHBondContact O-N 2.88Å; A658-V734 HydrophobicContact CB-CG2 4Å; F679-V734 WeakPolarHBondContact O-CA 3.19Å; L680-V734 HydrophobicContact CD2-CG2 4.41Å; V734-L736 HydrophobicContact CB-CD2 4.09Å; V734-L736 HydrophobicContact CG1-CD2 3.52Å; V734-I744 HydrophobicContact CB-CD1 4.21Å; V734-I744 HydrophobicContact CG1-CD1 3.51Å; V734-I744 HydrophobicContact CG2-CD1 3.6Å |
| 735 | L | 83.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.6 | 173.9 | 179.7 | 60.9 | 0 | 0 | 0 | 109.6 | Y655 S678 F679 W694 I696 F737 | Y655-L735 HydrophobicContact CD1-CB 4.03Å; Y655-L735 HydrophobicContact CD1-CD1 4.4Å; Y655-L735 HydrophobicContact CD2-CD1 4Å; Y655-L735 HydrophobicContact CE1-CB 3.75Å; Y655-L735 HydrophobicContact CE1-CD1 4.27Å; Y655-L735 HydrophobicContact CE1-CD2 4.47Å; Y655-L735 HydrophobicContact CE1-CG 4.38Å; Y655-L735 HydrophobicContact CE2-CD1 3.84Å; Y655-L735 HydrophobicContact CG-CD1 4.28Å; S678-L735 WeakPolarHBondContact CA-O 3.33Å; F679-L735 HydrophobicContact CB-CB 4.23Å; F679-L735 HydrophobicContact CD2-CD2 4.25Å; F679-L735 PolarHBondContact N-O 2.74Å; F679-L735 PolarHBondContact O-N 2.87Å; W694-L735 HydrophobicContact CE3-CD1 4.11Å; W694-L735 HydrophobicContact CE3-CD2 4.45Å; W694-L735 HydrophobicContact CH2-CD1 4.19Å; W694-L735 HydrophobicContact CZ3-CD1 3.89Å; I696-L735 HydrophobicContact CD1-CD2 4.21Å; L735-F737 HydrophobicContact CD2-CE2 3.91Å; L735-F737 HydrophobicContact CD2-CZ 3.71Å; L735-F737 HydrophobicContact CG-CE2 3.97Å; L735-F737 HydrophobicContact CG-CZ 4.13Å |
| 736 | L | 81.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.6 | -179.5 | -47.9 | -174.8 | 0 | 0 | 0 | 110.3 | Y649 M653 G654 V656 V734 Y742 | Y649-L736 HydrophobicContact CD1-CD1 3.49Å; Y649-L736 VanDerWaalsContact CD1-CD1 3.49Å; Y649-L736 HydrophobicContact CE1-CD1 4.02Å; Y649-L736 HydrophobicContact CG-CD1 4.49Å; M653-L736 WeakPolarHBondContact CA-O 3.44Å; G654-L736 PolarHBondContact N-O 2.95Å; G654-L736 PolarHBondContact O-N 3.16Å; V656-L736 HydrophobicContact CG2-CD1 3.88Å; V656-L736 HydrophobicContact CG2-CG 4.32Å; V734-L736 HydrophobicContact CB-CD2 4.09Å; V734-L736 HydrophobicContact CG1-CD2 3.52Å; L736-Y742 HydrophobicContact CB-CE2 4.25Å; L736-Y742 HydrophobicContact CD1-CD2 4.04Å; L736-Y742 HydrophobicContact CD1-CE2 4.07Å; L736-Y742 HydrophobicContact CD2-CD1 4.14Å; L736-Y742 HydrophobicContact CD2-CD2 3.59Å; L736-Y742 HydrophobicContact CD2-CE1 4.14Å; L736-Y742 HydrophobicContact CD2-CE2 3.6Å; L736-Y742 HydrophobicContact CD2-CG 3.86Å; L736-Y742 HydrophobicContact CG-CD2 4.37Å; L736-Y742 HydrophobicContact CG-CE2 4.18Å |
| 737 | F | 71.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -101.6 | -26.3 | 176.3 | -66.9 | -89.9 | 0 | 0 | 0 | 113.2 | H677 F679 W694 L735 | H677-F737 WeakPolarHBondContact O-CD2 3.27Å; F679-F737 AromaticContact CD2-CE2 3.74Å; F679-F737 HydrophobicContact CD2-CE2 3.74Å; F679-F737 HydrophobicContact CD2-CZ 4.43Å; F679-F737 AromaticContact CE2-CE2 3.66Å; F679-F737 HydrophobicContact CE2-CE2 3.66Å; F679-F737 HydrophobicContact CE2-CZ 4.19Å; W694-F737 HydrophobicContact CZ3-CE1 4.29Å; L735-F737 HydrophobicContact CD2-CE2 3.91Å; L735-F737 HydrophobicContact CD2-CZ 3.71Å; L735-F737 HydrophobicContact CG-CE2 3.97Å; L735-F737 HydrophobicContact CG-CZ 4.13Å |
| 738 | H | 68.1 | Low | 80.7 | Confident | 122 Ų | 122 | 37.9 Ų | 37.9 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -144.9 | 159.7 | -174.2 | -62 | -41.8 | 0 | 0 | 0 | 111.2 | Q740 Y742 | H738-Q740 PolarHBondContact O-N 3.42Å; H738-Y742 PolarHBondContact O-OH 3.44Å |
| 739 | D | 62.6 | Low | 80.8 | Confident | 108 Ų | 108 | 36.2 Ų | 36.2 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -73 | 96.8 | 174.8 | -69.1 | -11.6 | 0 | 0 | 0 | 110.2 | T650 K651 G652 | T650-D739 WeakPolarHBondContact O-CB 3.45Å; K651-D739 WeakPolarHBondContact CA-OD1 3.09Å; G652-D739 PolarHBondContact N-OD1 2.92Å |
| 740 | Q | 64.4 | Low | 80.5 | Confident | 77 Ų | 77 | 36.5 Ų | 36.5 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | trans | -137.1 | 159.9 | 175 | -64.7 | -173 | -12.2 | 0 | 0 | 110.4 | T650 H738 Y742 | T650-Q740 WeakPolarHBondContact CA-O 3.41Å; H738-Q740 PolarHBondContact O-N 3.42Å; Q740-Y742 HydrophobicContact CB-CE2 3.88Å; Q740-Y742 WeakPolarHBondContact O-CD2 3.47Å; Q740-Y742 VanDerWaalsContact O-CE2 3.31Å; Q740-Y742 WeakPolarHBondContact O-CE2 3.39Å; Q740-Y742 PolarHBondContact O-N 3.41Å | ||
| 741 | S | 61.3 | Low | 79.8 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 62% | 0.622 | 21% | 0.212 | S | C | * | . | trans | -80.4 | 98.5 | 171.9 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 742 | Y | 68.2 | Low | 78.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | trans | -79.6 | 131.8 | 173.6 | -61 | -81.5 | 0 | 0 | 0 | 109.4 | N648 Y649 L676 S678 L736 H738 Q740 | N648-Y742 WeakPolarHBondContact CA-O 3.45Å; N648-Y742 PolarHBondContact OD1-O 2.88Å; Y649-Y742 PolarHBondContact O-N 2.87Å; L676-Y742 HydrophobicContact CB-CD1 4.13Å; L676-Y742 HydrophobicContact CB-CE1 4.09Å; L676-Y742 HydrophobicContact CD1-CD1 3.66Å; L676-Y742 HydrophobicContact CD1-CE1 4.26Å; L676-Y742 HydrophobicContact CD1-CG 4.4Å; L676-Y742 HydrophobicContact CG-CD1 4.49Å; S678-Y742 WeakPolarHBondContact OG-CD1 3.26Å; S678-Y742 WeakPolarHBondContact OG-CE1 3.17Å; L736-Y742 HydrophobicContact CB-CE2 4.25Å; L736-Y742 HydrophobicContact CD1-CD2 4.04Å; L736-Y742 HydrophobicContact CD1-CE2 4.07Å; L736-Y742 HydrophobicContact CD2-CD1 4.14Å; L736-Y742 HydrophobicContact CD2-CD2 3.59Å; L736-Y742 HydrophobicContact CD2-CE1 4.14Å; L736-Y742 HydrophobicContact CD2-CE2 3.6Å; L736-Y742 HydrophobicContact CD2-CG 3.86Å; L736-Y742 HydrophobicContact CG-CD2 4.37Å; L736-Y742 HydrophobicContact CG-CE2 4.18Å; H738-Y742 PolarHBondContact O-OH 3.44Å; Q740-Y742 HydrophobicContact CB-CE2 3.88Å; Q740-Y742 WeakPolarHBondContact O-CD2 3.47Å; Q740-Y742 VanDerWaalsContact O-CE2 3.31Å; Q740-Y742 WeakPolarHBondContact O-CE2 3.39Å; Q740-Y742 PolarHBondContact O-N 3.41Å | ||
| 743 | G | 74.8 | Confident | 77.2 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | trans | -115.8 | 94.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D673 | D673-G743 PolarHBondContact N-O 3.1Š| ||
| 744 | I | 84.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 113.3 | -177.4 | -67.3 | 160.9 | 0 | 0 | 0 | 109 | D646 F647 V670 E672 L680 V734 | D646-I744 WeakPolarHBondContact CA-O 3.15Å; F647-I744 HydrophobicContact CB-CB 4.33Å; F647-I744 HydrophobicContact CD1-CD1 4.23Å; F647-I744 PolarHBondContact N-O 3.27Å; F647-I744 PolarHBondContact O-N 3.1Å; V670-I744 HydrophobicContact CG1-CG2 3.54Å; E672-I744 HydrophobicContact CG-CG1 4.1Å; L680-I744 HydrophobicContact CD2-CD1 3.64Å; L680-I744 HydrophobicContact CD2-CG1 4.08Å; L680-I744 HydrophobicContact CD2-CG2 3.96Å; V734-I744 HydrophobicContact CB-CD1 4.21Å; V734-I744 HydrophobicContact CG1-CD1 3.51Å; V734-I744 HydrophobicContact CG2-CD1 3.6Å |
| 745 | H | 87.8 | Confident | 72.9 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.7 | 175.6 | -171.7 | 72.7 | 0 | 0 | 0 | 110.5 | D646 V670 M671 | D646-H745 IonicContact OD1-CE1 3.19Å; D646-H745 IonicContact OD1-CG 2.9Å; D646-H745 IonicContact OD1-ND1 2.67Å; D646-H745 PolarHBondContact OD1-ND1 2.81Å; V670-H745 WeakPolarHBondContact CA-O 3.29Å; M671-H745 PolarHBondContact N-O 3.21Å; M671-H745 PolarHBondContact O-N 2.95Å |
| 746 | Y | 90 | Very high | 70.6 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.9 | 171.4 | 62.4 | -96.9 | 0 | 0 | 0 | 112.1 | K644 G645 V659 K669 Y748 | K644-Y746 VanDerWaalsContact CA-O 3.31Å; K644-Y746 WeakPolarHBondContact CA-O 3.36Å; G645-Y746 PolarHBondContact N-O 3.05Å; G645-Y746 VanDerWaalsContact O-CD1 3.28Å; G645-Y746 WeakPolarHBondContact O-CD1 3.29Å; G645-Y746 PolarHBondContact O-N 2.99Å; V659-Y746 HydrophobicContact CB-CE1 4.03Å; V659-Y746 HydrophobicContact CB-CE2 4.09Å; V659-Y746 HydrophobicContact CG1-CD1 3.99Å; V659-Y746 HydrophobicContact CG1-CD2 3.96Å; V659-Y746 HydrophobicContact CG1-CE1 3.98Å; V659-Y746 HydrophobicContact CG1-CE2 3.96Å; V659-Y746 HydrophobicContact CG1-CG 3.97Å; V659-Y746 HydrophobicContact CG2-CE2 3.89Å; K669-Y746 WeakPolarHBondContact O-CA 3.01Å; Y746-Y748 HydrophobicContact CD2-CD1 4.14Å; Y746-Y748 AromaticContact CD2-CE1 3.91Å; Y746-Y748 HydrophobicContact CD2-CE1 3.91Å; Y746-Y748 HydrophobicContact CE2-CE1 4.05Å |
| 747 | E | 90.2 | Very high | 68.3 | Low | 37 Ų | 37 | 74.8 Ų | 74.8 | 17% | 0.173 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.5 | 178.4 | 176.6 | -177.6 | -121.1 | 0 | 0 | 108.8 | I642 V643 K644 I668 K669 | I642-E747 HydrophobicContact CG2-CG 4.17Å; V643-E747 WeakPolarHBondContact O-CA 3.38Å; K644-E747 WeakPolarHBondContact CE-OE1 3.31Å; K644-E747 HydrophobicContact CG-CB 4.35Å; K644-E747 HydrophobicContact CG-CG 4.22Å; K644-E747 IonicContact NZ-OE1 3.91Å; K644-E747 PolarHBondContact NZ-OE1 2.98Å; I668-E747 CarbonylContact C-O 3.6Å; I668-E747 WeakPolarHBondContact CA-O 3.28Å; K669-E747 PolarHBondContact N-O 2.89Å; K669-E747 IonicContact NZ-OE2 3.88Å; K669-E747 PolarHBondContact NZ-OE2 3.25Å; K669-E747 PolarHBondContact O-N 3.05Å |
| 748 | Y | 89.6 | Confident | 66.5 | Low | 20 Ų | 20 | 83.1 Ų | 83.1 | 8% | 0.078 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 165.1 | 171.1 | 62.5 | -92.7 | 0 | 0 | 0 | 111.2 | V643 V659 I661 P662 A665 Y746 I750 | V643-Y748 HydrophobicContact CB-CD2 4.13Å; V643-Y748 HydrophobicContact CB-CE1 4.19Å; V643-Y748 HydrophobicContact CB-CE2 3.78Å; V643-Y748 HydrophobicContact CB-CG 4.48Å; V643-Y748 HydrophobicContact CG1-CE1 3.98Å; V643-Y748 HydrophobicContact CG1-CE2 4.13Å; V643-Y748 HydrophobicContact CG2-CD2 4.46Å; V643-Y748 HydrophobicContact CG2-CE2 3.95Å; V643-Y748 PolarHBondContact N-O 2.89Å; V643-Y748 PolarHBondContact O-N 3.45Å; V659-Y748 HydrophobicContact CG2-CE1 4.47Å; I661-Y748 HydrophobicContact CD1-CD1 4.39Å; I661-Y748 HydrophobicContact CG1-CD1 4.16Å; I661-Y748 HydrophobicContact CG1-CE1 4.1Å; I661-Y748 HydrophobicContact CG2-CD1 4.25Å; I661-Y748 HydrophobicContact CG2-CD2 4.09Å; I661-Y748 HydrophobicContact CG2-CE1 4.46Å; I661-Y748 HydrophobicContact CG2-CE2 4.32Å; I661-Y748 HydrophobicContact CG2-CG 4.05Å; P662-Y748 HydrophobicContact CG-CE2 4.22Å; A665-Y748 HydrophobicContact CB-CD2 4.14Å; Y746-Y748 HydrophobicContact CD2-CD1 4.14Å; Y746-Y748 AromaticContact CD2-CE1 3.91Å; Y746-Y748 HydrophobicContact CD2-CE1 3.91Å; Y746-Y748 HydrophobicContact CE2-CE1 4.05Å; Y748-I750 HydrophobicContact CD2-CG2 3.99Å; Y748-I750 HydrophobicContact CE2-CG2 3.87Å |
| 749 | T | 86.2 | Confident | 64.7 | Low | 6 Ų | 6 | 81.8 Ų | 81.8 | 4% | 0.037 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.9 | -179 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | K641 I642 A665 W666 | K641-T749 WeakPolarHBondContact O-CA 3.06Å; I642-T749 HydrophobicContact CB-CG2 4.31Å; I642-T749 HydrophobicContact CG1-CG2 3.89Å; I642-T749 HydrophobicContact CG2-CG2 4.31Å; A665-T749 CarbonylContact C-O 3.37Å; A665-T749 WeakPolarHBondContact CA-O 3.06Å; W666-T749 WeakPolarHBondContact CB-OG1 3.5Å; W666-T749 PolarHBondContact N-O 3.25Å; W666-T749 PolarHBondContact O-N 2.85Å; W666-T749 PolarHBondContact O-OG1 2.91Å |
| 750 | I | 83.7 | Confident | 63.2 | Low | 50 Ų | 50 | 82.1 Ų | 82.1 | 26% | 0.256 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.3 | -179.6 | 57.8 | 176.2 | 0 | 0 | 0 | 110.6 | C640 K641 V643 P662 A665 Y748 | C640-I750 CarbonylContact C-O 3.54Å; C640-I750 WeakPolarHBondContact CA-O 3.36Å; C640-I750 VanDerWaalsContact CB-O 3.22Å; C640-I750 WeakPolarHBondContact CB-O 3.45Å; K641-I750 HydrophobicContact CB-CG1 4.05Å; K641-I750 PolarHBondContact N-O 3.32Å; K641-I750 PolarHBondContact O-N 2.92Å; V643-I750 HydrophobicContact CG2-CD1 3.91Å; V643-I750 HydrophobicContact CG2-CG1 4.11Å; P662-I750 HydrophobicContact CG-CG2 3.92Å; A665-I750 HydrophobicContact CB-CG2 4.46Å; Y748-I750 HydrophobicContact CD2-CG2 3.99Å; Y748-I750 HydrophobicContact CE2-CG2 3.87Å |
| 751 | P | 74.9 | Confident | 61.9 | Low | 85 Ų | 85 | 86 Ų | 86 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 145.7 | -176.3 | 27.5 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 752 | V | 68.5 | Low | 60.5 | Low | 71 Ų | 71 | 89.5 Ų | 89.5 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | trans | -96.3 | 119.1 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | S639 K641 T754 | S639-V752 PolarHBondContact O-N 3.34Å; K641-V752 HydrophobicContact CB-CG2 4.26Å; V752-T754 PolarHBondContact O-N 2.86Å | ||
| 753 | N | 55.6 | Low | 58.7 | Low | 145 Ų | 145 | 98.2 Ų | 98.2 | 78% | 0.775 | 51% | 0.51 | S | S | * | . | trans | -79.5 | 101.7 | 175.9 | -100.4 | -7 | 0 | 0 | 0 | 111.3 | S755 | N753-S755 VanDerWaalsContact C-N 3.27Å; N753-S755 PolarHBondContact O-N 3.43Å | ||
| 754 | T | 44.1 | Very low | 57.3 | Low | 137 Ų | 137 | 103.5 Ų | 103.5 | 84% | 0.84 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 58.1 | -176.8 | -31 | 0 | 0 | 0 | 0 | 113.5 | V752 | V752-T754 PolarHBondContact O-N 2.86Š|
| 755 | S | 40.5 | Very low | 54.8 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.6 | 0.8 | 174.8 | 56.5 | 0 | 0 | 0 | 0 | 116 | N753 | N753-S755 VanDerWaalsContact C-N 3.27Å; N753-S755 PolarHBondContact O-N 3.43Å |
| 756 | Q | 36 | Very low | 52.6 | Low | 168 Ų | 168 | 112.6 Ų | 112.6 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -133.6 | 127 | 164.3 | -73.4 | -174 | -52.1 | 0 | 0 | 112 | ||
| 757 | E | 32.7 | Very low | 50.6 | Low | 175 Ų | 175 | 120 Ų | 120 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | 71.2 | 98.8 | 153.6 | -64 | 173.8 | -167.8 | 0 | 0 | 119.4 | ||||
| 758 | R | 33.5 | Very low | 48.7 | Very low | 254 Ų | 254 | 121.6 Ų | 121.6 | 96% | 0.958 | 63% | 0.629 | S | S | * | * | trans | -113.9 | 65.7 | 161.3 | -163.8 | -169.7 | -159 | -167.6 | 8.1 | 110.9 | ||||
| 759 | S | 29.7 | Very low | 47.1 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | trans | -176.9 | 131.8 | 165.1 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 760 | S | 30.7 | Very low | 46.2 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | cis | -157.9 | 173.8 | -9.4 | -73.9 | 0 | 0 | 0 | 0 | 107.2 | K762 | S760-K762 PolarHBondContact O-N 3.16Š| ||
| 761 | E | 37.4 | Very low | 45.5 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | trans | -53.2 | 126.1 | 178.1 | -49 | 176.5 | 155 | 0 | 0 | 114.3 | ||||
| 762 | K | 33.3 | Very low | 45.5 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 70% | 0.704 | 66% | 0.657 | S | S | * | * | 161.3 | 143.2 | 109.2 | -96 | 151.1 | -170.6 | 162.7 | 0 | 115.3 | S760 | S760-K762 PolarHBondContact O-N 3.16Š| |||
| 763 | Q | 29.8 | Very low | 45.6 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | 72 | 144.9 | 151.8 | -70.3 | 169.2 | -22.7 | 0 | 0 | 119.6 | ||||
| 764 | T | 44.6 | Very low | 46.3 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 77% | 0.767 | 62% | 0.622 | S | S | * | * | trans | -87.5 | 171.6 | -174.6 | 40.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 765 | E | 32.3 | Very low | 47.2 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | trans | 130.6 | 156.9 | 157.6 | -70.6 | -63.3 | 136.5 | 0 | 0 | 112.8 | ||||
| 766 | P | 42.1 | Very low | 48.1 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 51% | 0.506 | 59% | 0.587 | S | S | . | * | -113.9 | -156.3 | -95.2 | 33.8 | -13.1 | 0 | 0 | 0 | 112.9 | Y768 | P766-Y768 VanDerWaalsContact CD-CZ 3.49Å; P766-Y768 WeakPolarHBondContact CD-OH 3.1Å; P766-Y768 WeakPolarHBondContact O-CD2 3.44Å; P766-Y768 WeakPolarHBondContact O-CE2 3.5Å | |||
| 767 | E | 48.4 | Very low | 49.6 | Very low | 194 Ų | 194 | 112.8 Ų | 112.8 | 91% | 0.907 | 57% | 0.566 | S | S | * | * | trans | -87 | 145.9 | -175.6 | -165.6 | 170.9 | -143.9 | 0 | 0 | 113.1 | ||||
| 768 | Y | 49.5 | Very low | 51.2 | Low | 69 Ų | 69 | 109.6 Ų | 109.6 | 27% | 0.271 | 55% | 0.551 | S | S | . | * | trans | -142 | 153.8 | -169.4 | -57.6 | -81.3 | 0 | 0 | 0 | 114.2 | P766 Y770 R797 V799 | P766-Y768 VanDerWaalsContact CD-CZ 3.49Å; P766-Y768 WeakPolarHBondContact CD-OH 3.1Å; P766-Y768 WeakPolarHBondContact O-CD2 3.44Å; P766-Y768 WeakPolarHBondContact O-CE2 3.5Å; Y768-Y770 VanDerWaalsContact O-CE2 3.3Å; Y768-Y770 WeakPolarHBondContact O-CE2 3.22Å; Y768-R797 VanDerWaalsContact CB-CD 3.47Å; Y768-R797 VanDerWaalsContact CE2-NH1 3.29Å; Y768-R797 HydrophobicContact CG-CG 4.16Å; Y768-V799 HydrophobicContact CD1-CB 4.41Å; Y768-V799 HydrophobicContact CD1-CG2 3.74Å; Y768-V799 HydrophobicContact CE1-CB 4.15Å; Y768-V799 HydrophobicContact CE1-CG1 3.81Å; Y768-V799 HydrophobicContact CE1-CG2 3.69Å | ||
| 769 | L | 55.6 | Low | 52.7 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 146 | -178.2 | -155.3 | 82.7 | 0 | 0 | 0 | 112.7 | R797 T798 | L769-R797 VanDerWaalsContact O-CA 3.3Å; L769-R797 WeakPolarHBondContact O-CA 3.36Å; L769-T798 PolarHBondContact O-N 3.02Å |
| 770 | Y | 67.1 | Low | 54.5 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 33% | 0.329 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.3 | -173.4 | -58.8 | -81.2 | 0 | 0 | 0 | 113.1 | Y768 M796 R797 V806 Y810 | Y768-Y770 VanDerWaalsContact O-CE2 3.3Å; Y768-Y770 WeakPolarHBondContact O-CE2 3.22Å; Y770-M796 CarbonylContact C-O 3.56Å; Y770-M796 WeakPolarHBondContact CA-O 3.35Å; Y770-R797 HydrophobicContact CD1-CB 3.7Å; Y770-R797 HydrophobicContact CD1-CG 3.74Å; Y770-R797 HydrophobicContact CE1-CB 3.66Å; Y770-R797 HydrophobicContact CE1-CG 3.41Å; Y770-R797 VanDerWaalsContact CE1-CG 3.41Å; Y770-V806 HydrophobicContact CD1-CG2 3.69Å; Y770-V806 HydrophobicContact CE1-CG1 4.45Å; Y770-V806 HydrophobicContact CE1-CG2 3.96Å; Y770-Y810 WeakPolarHBondContact CB-O 3.05Å; Y770-Y810 HydrophobicContact CD1-CG 4.39Å; Y770-Y810 HydrophobicContact CE1-CG 4.21Å |
| 771 | V | 69.9 | Low | 56.4 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.6 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | M796 C811 | V771-M796 PolarHBondContact N-O 3.09Å; V771-M796 PolarHBondContact O-N 2.75Å; V771-C811 PolarHBondContact N-SG 2.96Å; V771-C811 VanDerWaalsContact N-SG 3.43Å |
| 772 | W | 75.4 | Confident | 57.6 | Low | 24 Ų | 24 | 95.6 Ų | 95.6 | 9% | 0.091 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.9 | 172.6 | -70.4 | 111.1 | 0 | 0 | 0 | 112.5 | V793 S794 C795 D808 C811 H812 R816 | W772-V793 HydrophobicContact CE3-CG1 4.24Å; W772-S794 VanDerWaalsContact CE3-C 3.5Å; W772-C795 HydrophobicContact CE3-CB 4.2Å; W772-C795 VanDerWaalsContact CE3-N 3.33Å; W772-C795 HydrophobicContact CH2-CB 4.47Å; W772-C795 HydrophobicContact CZ3-CB 4.13Å; W772-D808 HydrophobicContact CH2-CB 3.6Å; W772-D808 VanDerWaalsContact CH2-CG 3.45Å; W772-D808 WeakPolarHBondContact CH2-O 3.24Å; W772-D808 WeakPolarHBondContact CZ2-O 3.21Å; W772-D808 HydrophobicContact CZ3-CB 4.12Å; W772-D808 VanDerWaalsContact CZ3-CG 3.5Å; W772-D808 VanDerWaalsContact CZ3-OD1 3.29Å; W772-D808 WeakPolarHBondContact CZ3-OD1 3.3Å; W772-C811 HydrophobicContact CD2-CB 3.73Å; W772-C811 HydrophobicContact CE3-CB 4.48Å; W772-C811 HydrophobicContact CG-CB 3.96Å; W772-C811 HydrophobicContact CZ2-CB 3.77Å; W772-C811 WeakPolarHBondContact CZ2-O 3.35Å; W772-H812 PolarHBondContact NE1-O 2.91Å; W772-R816 HydrophobicContact CD2-CB 4.2Å; W772-R816 HydrophobicContact CD2-CG 4.06Å; W772-R816 HydrophobicContact CE3-CG 4.05Å; W772-R816 HydrophobicContact CG-CB 4.46Å; W772-R816 HydrophobicContact CH2-CG 4.43Å; W772-R816 HydrophobicContact CZ2-CB 4.4Å; W772-R816 HydrophobicContact CZ2-CG 4.43Å; W772-R816 HydrophobicContact CZ3-CG 4.23Å |
| 773 | A | 69.1 | Low | 59 | Low | 18 Ų | 18 | 94.1 Ų | 94.1 | 15% | 0.149 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 161.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S775 S794 M796 M803 | A773-S775 PolarHBondContact O-N 2.84Å; A773-S794 PolarHBondContact N-O 3.43Å; A773-S794 VanDerWaalsContact N-O 3.14Å; A773-S794 PolarHBondContact O-N 3.22Å; A773-S794 VanDerWaalsContact O-O 3.05Å; A773-M796 HydrophobicContact CB-CE 3.33Å; A773-M796 HydrophobicContact CB-CG 4.25Å; A773-M803 HydrophobicContact CB-CE 3.69Å |
| 774 | H | 70.9 | Confident | 60.6 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 33% | 0.329 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 117.2 | 172.9 | -61.1 | -83.2 | 0 | 0 | 0 | 108.7 | T791 A792 V793 Q818 | H774-T791 PolarHBondContact ND1-OG1 2.91Å; H774-T791 VanDerWaalsContact ND1-OG1 3.14Å; H774-A792 WeakPolarHBondContact CA-O 3.29Å; H774-V793 WeakPolarHBondContact ND1-CG2 3.47Å; H774-Q818 PolarHBondContact CE1-O 2.03Å; H774-Q818 VanDerWaalsContact CE1-O 3.29Å |
| 775 | S | 62.1 | Low | 61.5 | Low | 44 Ų | 44 | 83.4 Ų | 83.4 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -64 | -172.6 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | A773 A792 S794 V805 | A773-S775 PolarHBondContact O-N 2.84Å; S775-A792 PolarHBondContact N-O 2.84Å; S775-A792 PolarHBondContact OG-O 3.01Å; S775-S794 VanDerWaalsContact CB-OG 3.24Å; S775-S794 WeakPolarHBondContact CB-OG 3.17Å; S775-S794 PolarHBondContact OG-OG 3.19Å; S775-V805 VanDerWaalsContact CB-CG2 3.45Å |
| 776 | S | 61.2 | Low | 63.2 | Low | 74 Ų | 74 | 77.9 Ų | 77.9 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 158.5 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 112 | A792 | S776-A792 PolarHBondContact O-N 3.19Å |
| 777 | W | 65.6 | Low | 64.4 | Low | 91 Ų | 91 | 74.9 Ų | 74.9 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 129.6 | 166.9 | -67.4 | 96.4 | 0 | 0 | 0 | 109.1 | R789 S790 T791 K820 Q822 | W777-R789 HydrophobicContact CB-CG 4.29Å; W777-R789 HydrophobicContact CD2-CG 4.25Å; W777-R789 HydrophobicContact CE3-CB 4.34Å; W777-R789 HydrophobicContact CE3-CG 3.77Å; W777-R789 HydrophobicContact CG-CG 4.49Å; W777-R789 HydrophobicContact CZ3-CG 4.49Å; W777-R789 VanDerWaalsContact CZ3-O 3.23Å; W777-R789 WeakPolarHBondContact CZ3-O 3.25Å; W777-S790 WeakPolarHBondContact CA-O 3.39Å; W777-S790 VanDerWaalsContact CE3-C 3.42Å; W777-T791 HydrophobicContact CD2-CG2 3.64Å; W777-T791 HydrophobicContact CE3-CG2 3.65Å; W777-T791 HydrophobicContact CG-CG2 4.38Å; W777-T791 HydrophobicContact CH2-CG2 3.65Å; W777-T791 HydrophobicContact CZ2-CG2 3.63Å; W777-T791 HydrophobicContact CZ3-CG2 3.66Å; W777-K820 HydrophobicContact CH2-CB 4.33Å; W777-K820 VanDerWaalsContact CZ3-O 3.31Å; W777-K820 WeakPolarHBondContact CZ3-O 3.4Å; W777-Q822 HydrophobicContact CE3-CB 4.32Å; W777-Q822 HydrophobicContact CH2-CB 3.44Å; W777-Q822 VanDerWaalsContact CH2-CB 3.44Å; W777-Q822 HydrophobicContact CZ2-CB 4.01Å; W777-Q822 HydrophobicContact CZ3-CB 3.62Å |
| 778 | Q | 68.1 | Low | 65.7 | Low | 108 Ų | 108 | 71.8 Ų | 71.8 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 160.5 | 171 | -64.5 | -173.3 | -7.5 | 0 | 0 | 110.4 | C780 R789 S790 A792 | Q778-C780 PolarHBondContact O-N 3.17Å; Q778-R789 VanDerWaalsContact O-CB 3.31Å; Q778-R789 WeakPolarHBondContact O-CB 3.44Å; Q778-S790 PolarHBondContact N-O 3.01Å; Q778-S790 PolarHBondContact OE1-OG 3.38Å; Q778-A792 HydrophobicContact CG-CB 4.15Å |
| 779 | N | 64.1 | Low | 66.4 | Low | 156 Ų | 156 | 72.6 Ų | 72.6 | 83% | 0.834 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -55 | 137.3 | 176.4 | -72.5 | -13.4 | 0 | 0 | 0 | 110.1 | S781 | N779-S781 PolarHBondContact O-N 3.4Š|
| 780 | C | 68 | Low | 67.1 | Low | 23 Ų | 23 | 68.2 Ų | 68.2 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.5 | 176.5 | -163 | 0 | 0 | 0 | 0 | 110 | Q778 V782 C824 N825 | Q778-C780 PolarHBondContact O-N 3.17Å; C780-V782 WeakPolarHBondContact CB-O 3.49Å; C780-V782 PolarHBondContact O-N 3.14Å; C780-V782 PolarHBondContact SG-O 3.39Å; C780-C824 VanDerWaalsContact CA-SG 3.55Å; C780-C824 HydrophobicContact CB-CB 3.9Å; C780-C824 WeakPolarHBondContact CB-SG 3.39Å; C780-C824 VanDerWaalsContact SG-C 3.54Å; C780-C824 WeakPolarHBondContact SG-CB 3.35Å; C780-C824 CovalentContact SG-SG 2.03Å; C780-C824 PolarHBondContact SG-SG 2.81Å; C780-N825 HydrophobicContact CB-CB 4.47Å; C780-N825 VanDerWaalsContact CB-ND2 3.29Å; C780-N825 WeakPolarHBondContact CB-ND2 2.99Å |
| 781 | S | 70.2 | Confident | 67.3 | Low | 88 Ų | 88 | 64.8 Ų | 64.8 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -56.6 | -23.2 | -175.8 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | N779 E788 | N779-S781 PolarHBondContact O-N 3.4Å; S781-E788 PolarHBondContact N-O 2.88Å; S781-E788 PolarHBondContact OG-N 3.07Å; S781-E788 PolarHBondContact OG-O 2.85Å |
| 782 | V | 62.1 | Low | 67.1 | Low | 61 Ų | 61 | 62.4 Ų | 62.4 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -133.5 | 149.5 | 170.5 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | C780 C784 G786 N825 | C780-V782 WeakPolarHBondContact CB-O 3.49Å; C780-V782 PolarHBondContact O-N 3.14Å; C780-V782 PolarHBondContact SG-O 3.39Å; V782-C784 VanDerWaalsContact C-N 3.28Å; V782-C784 VanDerWaalsContact CG2-O 3.22Å; V782-C784 WeakPolarHBondContact CG2-O 3.44Å; V782-C784 PolarHBondContact O-N 3.4Å; V782-G786 WeakPolarHBondContact CG2-O 3.49Å; V782-N825 PolarHBondContact O-ND2 2.94Å |
| 783 | Q | 62.6 | Low | 67 | Low | 132 Ų | 132 | 62 Ų | 62 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -76.9 | -12.5 | 178.2 | -72.7 | -175.2 | -19.3 | 0 | 0 | 113.7 | N825 Y858 | Q783-N825 PolarHBondContact O-ND2 3.17Å; Q783-Y858 PolarHBondContact OE1-OH 3.07Å; Q783-Y858 VanDerWaalsContact OE1-OH 3.07Å |
| 784 | C | 64.9 | Low | 66.9 | Low | 23 Ų | 23 | 61.8 Ų | 61.8 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -165 | 164.4 | -177.9 | 54.3 | 0 | 0 | 0 | 0 | 110 | V782 N825 L827 C829 | V782-C784 VanDerWaalsContact C-N 3.28Å; V782-C784 VanDerWaalsContact CG2-O 3.22Å; V782-C784 WeakPolarHBondContact CG2-O 3.44Å; V782-C784 PolarHBondContact O-N 3.4Å; C784-N825 CarbonylContact C-O 3.6Å; C784-L827 CarbonylContact C-O 3.58Å; C784-L827 WeakPolarHBondContact CA-O 3.17Å; C784-L827 WeakPolarHBondContact CB-O 3.47Å; C784-C829 HydrophobicContact CB-CB 3.83Å; C784-C829 WeakPolarHBondContact CB-SG 3.31Å; C784-C829 WeakPolarHBondContact SG-CB 3.45Å; C784-C829 CovalentContact SG-SG 2.02Å; C784-C829 PolarHBondContact SG-SG 3.47Å |
| 785 | G | 62.2 | Low | 67 | Low | 61 Ų | 61 | 58.4 Ų | 58.4 | 63% | 0.629 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 86.3 | 2.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | N825 L827 | G785-N825 PolarHBondContact N-O 3.05Å; G785-L827 PolarHBondContact N-O 3.23Å |
| 786 | G | 68.9 | Low | 67.3 | Low | 41 Ų | 41 | 57.2 Ų | 57.2 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | trans | 92.1 | 113 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V782 N825 | V782-G786 WeakPolarHBondContact CG2-O 3.49Å; G786-N825 PolarHBondContact N-O 2.86Å | ||
| 787 | G | 67.6 | Low | 67.7 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | -175.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | G823 C824 | G787-G823 CarbonylContact O-C 3.45Å; G787-G823 VanDerWaalsContact O-CA 3.29Å; G787-G823 WeakPolarHBondContact O-CA 3.44Å; G787-C824 PolarHBondContact N-O 3.16Å; G787-C824 PolarHBondContact O-N 2.97Å |
| 788 | E | 73.8 | Confident | 67.4 | Low | 129 Ų | 129 | 54.4 Ų | 54.4 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.2 | 172.6 | -67.3 | -171.4 | 153.6 | 0 | 0 | 110.1 | S781 V821 Q822 | S781-E788 PolarHBondContact N-O 2.88Å; S781-E788 PolarHBondContact OG-N 3.07Å; S781-E788 PolarHBondContact OG-O 2.85Å; E788-V821 HydrophobicContact CB-CG1 4.1Å; E788-Q822 WeakPolarHBondContact CA-O 3.35Å |
| 789 | R | 65.2 | Low | 66.7 | Low | 86 Ų | 86 | 50.2 Ų | 50.2 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.4 | 172.4 | 56.5 | -175.8 | -166.7 | 178.8 | 0.9 | 109.3 | W777 Q778 V821 Q822 C824 | W777-R789 HydrophobicContact CB-CG 4.29Å; W777-R789 HydrophobicContact CD2-CG 4.25Å; W777-R789 HydrophobicContact CE3-CB 4.34Å; W777-R789 HydrophobicContact CE3-CG 3.77Å; W777-R789 HydrophobicContact CG-CG 4.49Å; W777-R789 HydrophobicContact CZ3-CG 4.49Å; W777-R789 VanDerWaalsContact CZ3-O 3.23Å; W777-R789 WeakPolarHBondContact CZ3-O 3.25Å; Q778-R789 VanDerWaalsContact O-CB 3.31Å; Q778-R789 WeakPolarHBondContact O-CB 3.44Å; R789-V821 WeakPolarHBondContact O-CA 3.35Å; R789-Q822 WeakPolarHBondContact CG-O 3.39Å; R789-Q822 PolarHBondContact N-O 2.91Å; R789-Q822 PolarHBondContact O-N 3.32Å; R789-C824 HydrophobicContact CG-CB 4.09Å |
| 790 | S | 70.4 | Confident | 66.1 | Low | 33 Ų | 33 | 50.4 Ų | 50.4 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.1 | 177.3 | 58 | 0 | 0 | 0 | 0 | 111.5 | W777 Q778 K820 | W777-S790 WeakPolarHBondContact CA-O 3.39Å; W777-S790 VanDerWaalsContact CE3-C 3.42Å; Q778-S790 PolarHBondContact N-O 3.01Å; Q778-S790 PolarHBondContact OE1-OG 3.38Å; S790-K820 CarbonylContact C-O 3.51Å; S790-K820 WeakPolarHBondContact CA-O 3.28Å |
| 791 | T | 70.3 | Confident | 65.3 | Low | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | H774 W777 V793 A819 K820 | H774-T791 PolarHBondContact ND1-OG1 2.91Å; H774-T791 VanDerWaalsContact ND1-OG1 3.14Å; W777-T791 HydrophobicContact CD2-CG2 3.64Å; W777-T791 HydrophobicContact CE3-CG2 3.65Å; W777-T791 HydrophobicContact CG-CG2 4.38Å; W777-T791 HydrophobicContact CH2-CG2 3.65Å; W777-T791 HydrophobicContact CZ2-CG2 3.63Å; W777-T791 HydrophobicContact CZ3-CG2 3.66Å; T791-V793 PolarHBondContact O-N 2.85Å; T791-A819 VanDerWaalsContact O-CB 3.26Å; T791-A819 WeakPolarHBondContact O-CB 3.44Å; T791-K820 HydrophobicContact CG2-CB 4.3Å; T791-K820 PolarHBondContact N-O 3.02Å; T791-K820 PolarHBondContact OG1-N 2.8Å |
| 792 | A | 66.3 | Low | 64.4 | Low | 22 Ų | 22 | 56.2 Ų | 56.2 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H774 S775 S776 Q778 | H774-A792 WeakPolarHBondContact CA-O 3.29Å; S775-A792 PolarHBondContact N-O 2.84Å; S775-A792 PolarHBondContact OG-O 3.01Å; S776-A792 PolarHBondContact O-N 3.19Å; Q778-A792 HydrophobicContact CG-CB 4.15Å |
| 793 | V | 72.6 | Confident | 64.1 | Low | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.3 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | W772 H774 T791 R816 P817 A819 | W772-V793 HydrophobicContact CE3-CG1 4.24Å; H774-V793 WeakPolarHBondContact ND1-CG2 3.47Å; T791-V793 PolarHBondContact O-N 2.85Å; V793-R816 HydrophobicContact CG1-CG 3.88Å; V793-R816 PolarHBondContact O-NH2 3.07Å; V793-P817 HydrophobicContact CG1-CG 3.81Å; V793-A819 HydrophobicContact CG2-CB 4.37Å |
| 794 | S | 68.2 | Low | 64.2 | Low | 13 Ų | 13 | 56.4 Ų | 56.4 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.6 | -174.1 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | W772 A773 S775 M796 V805 | W772-S794 VanDerWaalsContact CE3-C 3.5Å; A773-S794 PolarHBondContact N-O 3.43Å; A773-S794 VanDerWaalsContact N-O 3.14Å; A773-S794 PolarHBondContact O-N 3.22Å; A773-S794 VanDerWaalsContact O-O 3.05Å; S775-S794 VanDerWaalsContact CB-OG 3.24Å; S775-S794 WeakPolarHBondContact CB-OG 3.17Å; S775-S794 PolarHBondContact OG-OG 3.19Å; S794-M796 PolarHBondContact O-N 3.33Å; S794-V805 WeakPolarHBondContact OG-CG1 3.49Å |
| 795 | C | 73.3 | Confident | 64 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 136.8 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | W772 V806 S807 D808 C811 | W772-C795 HydrophobicContact CE3-CB 4.2Å; W772-C795 VanDerWaalsContact CE3-N 3.33Å; W772-C795 HydrophobicContact CH2-CB 4.47Å; W772-C795 HydrophobicContact CZ3-CB 4.13Å; C795-V806 HydrophobicContact CB-CG2 4.14Å; C795-V806 PolarHBondContact O-N 2.81Å; C795-V806 VanDerWaalsContact O-O 3.06Å; C795-S807 WeakPolarHBondContact CB-O 3.36Å; C795-D808 PolarHBondContact N-OD1 3.21Å; C795-C811 WeakPolarHBondContact CA-SG 3.28Å; C795-C811 HydrophobicContact CB-CB 3.66Å; C795-C811 WeakPolarHBondContact CB-SG 3.47Å; C795-C811 WeakPolarHBondContact SG-CB 3.47Å; C795-C811 PolarHBondContact SG-N 2.79Å; C795-C811 CovalentContact SG-SG 2.03Å; C795-C811 PolarHBondContact SG-SG 3.39Å |
| 796 | M | 67.8 | Low | 64.4 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.7 | 179 | -61.2 | -140.6 | -99.4 | 0 | 0 | 111.1 | Y770 V771 A773 S794 M803 E804 V805 | Y770-M796 CarbonylContact C-O 3.56Å; Y770-M796 WeakPolarHBondContact CA-O 3.35Å; V771-M796 PolarHBondContact N-O 3.09Å; V771-M796 PolarHBondContact O-N 2.75Å; A773-M796 HydrophobicContact CB-CE 3.33Å; A773-M796 HydrophobicContact CB-CG 4.25Å; S794-M796 PolarHBondContact O-N 3.33Å; M796-M803 HydrophobicContact CB-CB 4.44Å; M796-M803 HydrophobicContact CB-CE 4.22Å; M796-M803 HydrophobicContact CE-CB 4.42Å; M796-M803 HydrophobicContact CE-CE 4.22Å; M796-M803 HydrophobicContact SD-CB 4.22Å; M796-E804 CarbonylContact C-O 3.49Å; M796-E804 WeakPolarHBondContact CA-O 3.21Å; M796-E804 WeakPolarHBondContact CB-O 3.19Å; M796-V805 HydrophobicContact CG-CG2 4.08Å; M796-V805 HydrophobicContact SD-CG2 3.56Å; M796-V805 VanDerWaalsContact SD-CG2 3.56Å |
| 797 | R | 68.7 | Low | 64.4 | Low | 55 Ų | 55 | 59.4 Ų | 59.4 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.8 | 178.2 | -169.5 | -178.5 | 87.2 | 168.3 | -0.3 | 109.8 | Y768 L769 Y770 V799 E804 V806 | Y768-R797 VanDerWaalsContact CB-CD 3.47Å; Y768-R797 VanDerWaalsContact CE2-NH1 3.29Å; Y768-R797 HydrophobicContact CG-CG 4.16Å; L769-R797 VanDerWaalsContact O-CA 3.3Å; L769-R797 WeakPolarHBondContact O-CA 3.36Å; Y770-R797 HydrophobicContact CD1-CB 3.7Å; Y770-R797 HydrophobicContact CD1-CG 3.74Å; Y770-R797 HydrophobicContact CE1-CB 3.66Å; Y770-R797 HydrophobicContact CE1-CG 3.41Å; Y770-R797 VanDerWaalsContact CE1-CG 3.41Å; R797-V799 HydrophobicContact CG-CG2 4.39Å; R797-E804 PolarHBondContact N-O 3Å; R797-E804 IonicContact NH2-OE2 3.82Å; R797-E804 PolarHBondContact O-N 2.81Å; R797-V806 HydrophobicContact CB-CG1 3.67Å; R797-V806 HydrophobicContact CB-CG2 4.25Å |
| 798 | T | 59.5 | Low | 64.4 | Low | 51 Ų | 51 | 61.1 Ų | 61.1 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.4 | 177.7 | -18.5 | 0 | 0 | 0 | 0 | 110.6 | L769 M803 | L769-T798 PolarHBondContact O-N 3.02Å; T798-M803 HydrophobicContact CG2-CG 4.32Å |
| 799 | V | 55 | Low | 63.9 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 114.9 | 179.8 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | Y768 R797 N801 S802 | Y768-V799 HydrophobicContact CD1-CB 4.41Å; Y768-V799 HydrophobicContact CD1-CG2 3.74Å; Y768-V799 HydrophobicContact CE1-CB 4.15Å; Y768-V799 HydrophobicContact CE1-CG1 3.81Å; Y768-V799 HydrophobicContact CE1-CG2 3.69Å; R797-V799 HydrophobicContact CG-CG2 4.39Å; V799-N801 PolarHBondContact O-N 3.42Å; V799-S802 PolarHBondContact N-O 2.99Å; V799-S802 WeakPolarHBondContact O-CA 3.37Å; V799-S802 PolarHBondContact O-N 2.94Å; V799-S802 VanDerWaalsContact O-O 3.11Å; V799-S802 PolarHBondContact O-OG 2.82Å |
| 800 | N | 51.2 | Low | 64 | Low | 159 Ų | 159 | 65 Ų | 65 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.7 | 55.6 | 177.8 | -70.3 | -13.1 | 0 | 0 | 0 | 115 | S802 | N800-S802 PolarHBondContact O-N 3Å; N800-S802 VanDerWaalsContact O-N 3.17Å |
| 801 | N | 51.5 | Low | 63.8 | Low | 171 Ų | 171 | 63.8 Ų | 63.8 | 91% | 0.914 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 8.8 | -176.3 | -79.9 | -6.1 | 0 | 0 | 0 | 116.8 | V799 | V799-N801 PolarHBondContact O-N 3.42Š|
| 802 | S | 50.9 | Low | 63.8 | Low | 62 Ų | 62 | 70.5 Ų | 70.5 | 43% | 0.434 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.2 | 167.9 | 33.5 | 0 | 0 | 0 | 0 | 111.5 | V799 N800 | V799-S802 PolarHBondContact N-O 2.99Å; V799-S802 WeakPolarHBondContact O-CA 3.37Å; V799-S802 PolarHBondContact O-N 2.94Å; V799-S802 VanDerWaalsContact O-O 3.11Å; V799-S802 PolarHBondContact O-OG 2.82Å; N800-S802 PolarHBondContact O-N 3Å; N800-S802 VanDerWaalsContact O-N 3.17Å |
| 803 | M | 56.2 | Low | 63.6 | Low | 100 Ų | 100 | 74.4 Ų | 74.4 | 49% | 0.493 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.7 | 178.2 | -65.2 | 176.6 | 76.3 | 0 | 0 | 109.8 | A773 M796 T798 | A773-M803 HydrophobicContact CB-CE 3.69Å; M796-M803 HydrophobicContact CB-CB 4.44Å; M796-M803 HydrophobicContact CB-CE 4.22Å; M796-M803 HydrophobicContact CE-CB 4.42Å; M796-M803 HydrophobicContact CE-CE 4.22Å; M796-M803 HydrophobicContact SD-CB 4.22Å; T798-M803 HydrophobicContact CG2-CG 4.32Å |
| 804 | E | 63.1 | Low | 63.1 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.3 | -179.8 | -63.7 | -174.1 | 143.2 | 0 | 0 | 111.1 | M796 R797 V806 | M796-E804 CarbonylContact C-O 3.49Å; M796-E804 WeakPolarHBondContact CA-O 3.21Å; M796-E804 WeakPolarHBondContact CB-O 3.19Å; R797-E804 PolarHBondContact N-O 3Å; R797-E804 IonicContact NH2-OE2 3.82Å; R797-E804 PolarHBondContact O-N 2.81Å; E804-V806 PolarHBondContact O-N 2.86Å |
| 805 | V | 61.5 | Low | 63 | Low | 87 Ų | 87 | 87 Ų | 87 | 53% | 0.527 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.4 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 111 | S775 S794 M796 | S775-V805 VanDerWaalsContact CB-CG2 3.45Å; S794-V805 WeakPolarHBondContact OG-CG1 3.49Å; M796-V805 HydrophobicContact CG-CG2 4.08Å; M796-V805 HydrophobicContact SD-CG2 3.56Å; M796-V805 VanDerWaalsContact SD-CG2 3.56Å |
| 806 | V | 70.4 | Confident | 63 | Low | 37 Ų | 37 | 92.6 Ų | 92.6 | 22% | 0.224 | 48% | 0.482 | C | S | . | . | trans | -127.6 | 178.2 | 176.3 | -60 | 0 | 0 | 0 | 0 | 111.3 | Y770 C795 R797 E804 D808 Y810 | Y770-V806 HydrophobicContact CD1-CG2 3.69Å; Y770-V806 HydrophobicContact CE1-CG1 4.45Å; Y770-V806 HydrophobicContact CE1-CG2 3.96Å; C795-V806 HydrophobicContact CB-CG2 4.14Å; C795-V806 PolarHBondContact O-N 2.81Å; C795-V806 VanDerWaalsContact O-O 3.06Å; R797-V806 HydrophobicContact CB-CG1 3.67Å; R797-V806 HydrophobicContact CB-CG2 4.25Å; E804-V806 PolarHBondContact O-N 2.86Å; V806-D808 PolarHBondContact O-N 2.64Å; V806-Y810 HydrophobicContact CB-CD2 4.45Å; V806-Y810 HydrophobicContact CG2-CD2 4.32Å | ||
| 807 | S | 68.8 | Low | 63.2 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -61.5 | 135.8 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | C795 N809 Y810 | C795-S807 WeakPolarHBondContact CB-O 3.36Å; S807-N809 PolarHBondContact O-N 2.7Å; S807-Y810 WeakPolarHBondContact O-CD2 3.21Å; S807-Y810 PolarHBondContact O-N 3.04Å | ||
| 808 | D | 66.9 | Low | 63.2 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -48.9 | -27.6 | 176 | -85.3 | 15.9 | 0 | 0 | 0 | 114.2 | W772 C795 V806 Y810 C811 R816 | W772-D808 HydrophobicContact CH2-CB 3.6Å; W772-D808 VanDerWaalsContact CH2-CG 3.45Å; W772-D808 WeakPolarHBondContact CH2-O 3.24Å; W772-D808 WeakPolarHBondContact CZ2-O 3.21Å; W772-D808 HydrophobicContact CZ3-CB 4.12Å; W772-D808 VanDerWaalsContact CZ3-CG 3.5Å; W772-D808 VanDerWaalsContact CZ3-OD1 3.29Å; W772-D808 WeakPolarHBondContact CZ3-OD1 3.3Å; C795-D808 PolarHBondContact N-OD1 3.21Å; V806-D808 PolarHBondContact O-N 2.64Å; D808-Y810 VanDerWaalsContact C-N 3.29Å; D808-Y810 PolarHBondContact O-N 3.24Å; D808-C811 PolarHBondContact O-N 3.11Å; D808-C811 VanDerWaalsContact O-O 3.11Å; D808-R816 IonicContact OD1-NH2 3.95Å; D808-R816 IonicContact OD2-CZ 3.1Å; D808-R816 IonicContact OD2-NH1 3.44Å; D808-R816 PolarHBondContact OD2-NH1 3.24Å; D808-R816 IonicContact OD2-NH2 2.71Å; D808-R816 PolarHBondContact OD2-NH2 3.44Å |
| 809 | N | 64.4 | Low | 63.5 | Low | 150 Ų | 150 | 100.6 Ų | 100.6 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -71.6 | -16.4 | -179.5 | -66.3 | -11.7 | 0 | 0 | 0 | 114.4 | S807 C811 | S807-N809 PolarHBondContact O-N 2.7Å; N809-C811 VanDerWaalsContact C-N 3.3Å |
| 810 | Y | 65.9 | Low | 64.1 | Low | 145 Ų | 145 | 106 Ų | 106 | 57% | 0.569 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -82.4 | -7.8 | 177.1 | -64.7 | -72 | 0 | 0 | 0 | 113.2 | Y770 V806 S807 D808 | Y770-Y810 WeakPolarHBondContact CB-O 3.05Å; Y770-Y810 HydrophobicContact CD1-CG 4.39Å; Y770-Y810 HydrophobicContact CE1-CG 4.21Å; V806-Y810 HydrophobicContact CB-CD2 4.45Å; V806-Y810 HydrophobicContact CG2-CD2 4.32Å; S807-Y810 WeakPolarHBondContact O-CD2 3.21Å; S807-Y810 PolarHBondContact O-N 3.04Å; D808-Y810 VanDerWaalsContact C-N 3.29Å; D808-Y810 PolarHBondContact O-N 3.24Å |
| 811 | C | 67 | Low | 64.9 | Low | 8 Ų | 8 | 102.8 Ų | 102.8 | 5% | 0.054 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -118.2 | 139.3 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 110.2 | V771 W772 C795 D808 N809 | V771-C811 PolarHBondContact N-SG 2.96Å; V771-C811 VanDerWaalsContact N-SG 3.43Å; W772-C811 HydrophobicContact CD2-CB 3.73Å; W772-C811 HydrophobicContact CE3-CB 4.48Å; W772-C811 HydrophobicContact CG-CB 3.96Å; W772-C811 HydrophobicContact CZ2-CB 3.77Å; W772-C811 WeakPolarHBondContact CZ2-O 3.35Å; C795-C811 WeakPolarHBondContact CA-SG 3.28Å; C795-C811 HydrophobicContact CB-CB 3.66Å; C795-C811 WeakPolarHBondContact CB-SG 3.47Å; C795-C811 WeakPolarHBondContact SG-CB 3.47Å; C795-C811 PolarHBondContact SG-N 2.79Å; C795-C811 CovalentContact SG-SG 2.03Å; C795-C811 PolarHBondContact SG-SG 3.39Å; D808-C811 PolarHBondContact O-N 3.11Å; D808-C811 VanDerWaalsContact O-O 3.11Å; N809-C811 VanDerWaalsContact C-N 3.3Å |
| 812 | H | 70 | Confident | 65.3 | Low | 154 Ų | 154 | 99 Ų | 99 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | trans | -66.4 | 127.2 | -175.9 | -73.2 | -71.3 | 0 | 0 | 0 | 112.3 | W772 E814 T815 | W772-H812 PolarHBondContact NE1-O 2.91Å; H812-E814 PolarHBondContact O-N 2.93Å; H812-E814 VanDerWaalsContact O-N 3.11Å; H812-T815 PolarHBondContact O-N 3.2Å; H812-T815 PolarHBondContact O-OG1 2.03Å; H812-T815 VanDerWaalsContact O-OG1 3.09Å | ||
| 813 | P | 61.4 | Low | 66.2 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 67% | 0.669 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -57.9 | -30.2 | -173.1 | -28.6 | 35.6 | 0 | 0 | 0 | 115.4 | T815 R816 | P813-T815 PolarHBondContact O-N 2.85Å; P813-R816 WeakPolarHBondContact O-CB 3.28Å; P813-R816 PolarHBondContact O-N 2.81Å |
| 814 | E | 63 | Low | 66.6 | Low | 194 Ų | 194 | 94.4 Ų | 94.4 | 91% | 0.907 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -68.1 | -17 | -176.2 | -60.2 | -173 | 164.6 | 0 | 0 | 114 | H812 | H812-E814 PolarHBondContact O-N 2.93Å; H812-E814 VanDerWaalsContact O-N 3.11Å |
| 815 | T | 65.8 | Low | 66.6 | Low | 100 Ų | 100 | 93.2 Ų | 93.2 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -103.4 | 14.1 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | H812 P813 P817 | H812-T815 PolarHBondContact O-N 3.2Å; H812-T815 PolarHBondContact O-OG1 2.03Å; H812-T815 VanDerWaalsContact O-OG1 3.09Å; P813-T815 PolarHBondContact O-N 2.85Å; T815-P817 WeakPolarHBondContact O-CD 3.39Å |
| 816 | R | 72.8 | Confident | 66.6 | Low | 118 Ų | 118 | 94.9 Ų | 94.9 | 45% | 0.445 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 120 | -176.8 | -169.5 | -180 | -168.5 | 142.2 | 12.8 | 112.8 | W772 V793 D808 P813 | W772-R816 HydrophobicContact CD2-CB 4.2Å; W772-R816 HydrophobicContact CD2-CG 4.06Å; W772-R816 HydrophobicContact CE3-CG 4.05Å; W772-R816 HydrophobicContact CG-CB 4.46Å; W772-R816 HydrophobicContact CH2-CG 4.43Å; W772-R816 HydrophobicContact CZ2-CB 4.4Å; W772-R816 HydrophobicContact CZ2-CG 4.43Å; W772-R816 HydrophobicContact CZ3-CG 4.23Å; V793-R816 HydrophobicContact CG1-CG 3.88Å; V793-R816 PolarHBondContact O-NH2 3.07Å; D808-R816 IonicContact OD1-NH2 3.95Å; D808-R816 IonicContact OD2-CZ 3.1Å; D808-R816 IonicContact OD2-NH1 3.44Å; D808-R816 PolarHBondContact OD2-NH1 3.24Å; D808-R816 IonicContact OD2-NH2 2.71Å; D808-R816 PolarHBondContact OD2-NH2 3.44Å; P813-R816 WeakPolarHBondContact O-CB 3.28Å; P813-R816 PolarHBondContact O-N 2.81Å |
| 817 | P | 73.6 | Confident | 65.8 | Low | 53 Ų | 53 | 99.7 Ų | 99.7 | 34% | 0.344 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 163.5 | 179.1 | 31.1 | -34.9 | 0 | 0 | 0 | 114 | V793 T815 | V793-P817 HydrophobicContact CG1-CG 3.81Å; T815-P817 WeakPolarHBondContact O-CD 3.39Å |
| 818 | Q | 68.3 | Low | 65.3 | Low | 181 Ų | 181 | 101.9 Ų | 101.9 | 85% | 0.846 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 142.4 | 178.8 | -66.4 | -174.3 | -2.7 | 0 | 0 | 113.2 | H774 | H774-Q818 PolarHBondContact CE1-O 2.03Å; H774-Q818 VanDerWaalsContact CE1-O 3.29Å |
| 819 | A | 66.4 | Low | 65.1 | Low | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 148 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | T791 V793 | T791-A819 VanDerWaalsContact O-CB 3.26Å; T791-A819 WeakPolarHBondContact O-CB 3.44Å; V793-A819 HydrophobicContact CG2-CB 4.37Å |
| 820 | K | 65.9 | Low | 65.2 | Low | 136 Ų | 136 | 102.2 Ų | 102.2 | 59% | 0.591 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 152.9 | 176.2 | -60.2 | -178.2 | -179 | -180 | 0 | 110.2 | W777 S790 T791 | W777-K820 HydrophobicContact CH2-CB 4.33Å; W777-K820 VanDerWaalsContact CZ3-O 3.31Å; W777-K820 WeakPolarHBondContact CZ3-O 3.4Å; S790-K820 CarbonylContact C-O 3.51Å; S790-K820 WeakPolarHBondContact CA-O 3.28Å; T791-K820 HydrophobicContact CG2-CB 4.3Å; T791-K820 PolarHBondContact N-O 3.02Å; T791-K820 PolarHBondContact OG1-N 2.8Å |
| 821 | V | 69.3 | Low | 65.4 | Low | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.3 | -175.2 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | E788 R789 | E788-V821 HydrophobicContact CB-CG1 4.1Å; R789-V821 WeakPolarHBondContact O-CA 3.35Å |
| 822 | Q | 60 | Low | 65.8 | Low | 93 Ų | 93 | 105.1 Ų | 105.1 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.1 | 179.5 | -172 | -174.3 | 33.6 | 0 | 0 | 111.5 | W777 E788 R789 | W777-Q822 HydrophobicContact CE3-CB 4.32Å; W777-Q822 HydrophobicContact CH2-CB 3.44Å; W777-Q822 VanDerWaalsContact CH2-CB 3.44Å; W777-Q822 HydrophobicContact CZ2-CB 4.01Å; W777-Q822 HydrophobicContact CZ3-CB 3.62Å; E788-Q822 WeakPolarHBondContact CA-O 3.35Å; R789-Q822 WeakPolarHBondContact CG-O 3.39Å; R789-Q822 PolarHBondContact N-O 2.91Å; R789-Q822 PolarHBondContact O-N 3.32Å |
| 823 | G | 68.6 | Low | 66.4 | Low | 50 Ų | 50 | 100 Ų | 100 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 152.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G787 | G787-G823 CarbonylContact O-C 3.45Å; G787-G823 VanDerWaalsContact O-CA 3.29Å; G787-G823 WeakPolarHBondContact O-CA 3.44Å |
| 824 | C | 65.6 | Low | 67.3 | Low | 14 Ų | 14 | 97.4 Ų | 97.4 | 10% | 0.095 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 167.6 | -175.1 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | C780 G787 R789 T826 | C780-C824 VanDerWaalsContact CA-SG 3.55Å; C780-C824 HydrophobicContact CB-CB 3.9Å; C780-C824 WeakPolarHBondContact CB-SG 3.39Å; C780-C824 VanDerWaalsContact SG-C 3.54Å; C780-C824 WeakPolarHBondContact SG-CB 3.35Å; C780-C824 CovalentContact SG-SG 2.03Å; C780-C824 PolarHBondContact SG-SG 2.81Å; G787-C824 PolarHBondContact N-O 3.16Å; G787-C824 PolarHBondContact O-N 2.97Å; R789-C824 HydrophobicContact CG-CB 4.09Å; C824-T826 PolarHBondContact O-N 2.95Å |
| 825 | N | 63.6 | Low | 68.1 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | trans | 51.5 | 46.2 | 173.7 | -66.3 | -7.5 | 0 | 0 | 0 | 116.3 | C780 V782 Q783 C784 G785 G786 L827 | C780-N825 HydrophobicContact CB-CB 4.47Å; C780-N825 VanDerWaalsContact CB-ND2 3.29Å; C780-N825 WeakPolarHBondContact CB-ND2 2.99Å; V782-N825 PolarHBondContact O-ND2 2.94Å; Q783-N825 PolarHBondContact O-ND2 3.17Å; C784-N825 CarbonylContact C-O 3.6Å; G785-N825 PolarHBondContact N-O 3.05Å; G786-N825 PolarHBondContact N-O 2.86Å; N825-L827 PolarHBondContact O-N 3.27Å; N825-L827 VanDerWaalsContact O-N 3.16Å | ||
| 826 | T | 60.3 | Low | 68.5 | Low | 122 Ų | 122 | 87 Ų | 87 | 75% | 0.748 | 47% | 0.471 | S | S | * | . | trans | -70.2 | -1 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 115.7 | C824 | C824-T826 PolarHBondContact O-N 2.95Š| ||
| 827 | L | 55 | Low | 68.9 | Low | 138 Ų | 138 | 90.2 Ų | 90.2 | 72% | 0.723 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -79.1 | 137.6 | 177.7 | -77.3 | 159.5 | 0 | 0 | 0 | 111.4 | C784 G785 N825 | C784-L827 CarbonylContact C-O 3.58Å; C784-L827 WeakPolarHBondContact CA-O 3.17Å; C784-L827 WeakPolarHBondContact CB-O 3.47Å; G785-L827 PolarHBondContact N-O 3.23Å; N825-L827 PolarHBondContact O-N 3.27Å; N825-L827 VanDerWaalsContact O-N 3.16Å |
| 828 | P | 58.2 | Low | 69.3 | Low | 111 Ų | 111 | 91 Ų | 91 | 72% | 0.721 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 138.4 | 179.7 | 30 | -34.4 | 0 | 0 | 0 | 112.3 | ||
| 829 | C | 61.5 | Low | 69.7 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 147.4 | 172.5 | -99 | 0 | 0 | 0 | 0 | 112.5 | C784 Y831 | C784-C829 HydrophobicContact CB-CB 3.83Å; C784-C829 WeakPolarHBondContact CB-SG 3.31Å; C784-C829 WeakPolarHBondContact SG-CB 3.45Å; C784-C829 CovalentContact SG-SG 2.02Å; C784-C829 PolarHBondContact SG-SG 3.47Å; C829-Y831 HydrophobicContact CB-CD2 4.29Å; C829-Y831 HydrophobicContact CB-CE1 4.08Å; C829-Y831 HydrophobicContact CB-CE2 3.51Å; C829-Y831 WeakPolarHBondContact CB-OH 3.45Å |
| 830 | Q | 67 | Low | 70 | Confident | 174 Ų | 174 | 86.9 Ų | 86.9 | 81% | 0.813 | 48% | 0.477 | S | S | * | . | trans | -108.4 | 119.8 | 168.6 | -70.7 | -175 | -6.3 | 0 | 0 | 110.7 | Y858 | Q830-Y858 WeakPolarHBondContact O-CB 3.24Š| ||
| 831 | Y | 71.1 | Confident | 70.5 | Confident | 76 Ų | 76 | 82 Ų | 82 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | trans | -108.8 | 144.4 | -179.2 | -51.9 | -87.7 | 0 | 0 | 0 | 110.4 | C829 Y858 T868 D872 | C829-Y831 HydrophobicContact CB-CD2 4.29Å; C829-Y831 HydrophobicContact CB-CE1 4.08Å; C829-Y831 HydrophobicContact CB-CE2 3.51Å; C829-Y831 WeakPolarHBondContact CB-OH 3.45Å; Y831-Y858 HydrophobicContact CD1-CD1 4.05Å; Y831-Y858 HydrophobicContact CD1-CG 4.26Å; Y831-Y858 AromaticContact CE1-CD1 3.96Å; Y831-Y858 HydrophobicContact CE1-CD1 3.96Å; Y831-Y858 HydrophobicContact CE1-CG 4.31Å; Y831-T868 HydrophobicContact CD1-CG2 4.33Å; Y831-T868 HydrophobicContact CE1-CG2 4.12Å; Y831-D872 HydrophobicContact CD1-CB 3.97Å; Y831-D872 HydrophobicContact CD2-CB 3.88Å; Y831-D872 VanDerWaalsContact CD2-O 3.31Å; Y831-D872 WeakPolarHBondContact CD2-O 3.49Å; Y831-D872 HydrophobicContact CE1-CB 4.15Å; Y831-D872 HydrophobicContact CE2-CB 4.05Å; Y831-D872 HydrophobicContact CG-CB 3.84Å | ||
| 832 | R | 73.8 | Confident | 70.7 | Confident | 138 Ų | 138 | 81.6 Ų | 81.6 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.1 | 178.8 | 68.8 | 179 | -173.5 | 173 | 1.8 | 113.3 | V857 C873 | R832-V857 HydrophobicContact CG-CG2 4.39Å; R832-V857 PolarHBondContact N-O 3.21Å; R832-V857 PolarHBondContact O-N 3.04Å; R832-C873 PolarHBondContact N-SG 3.31Å; R832-C873 VanDerWaalsContact N-SG 3.37Å; R832-C873 PolarHBondContact O-SG 3.19Å |
| 833 | W | 83.3 | Confident | 70.8 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 18% | 0.178 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135 | 173.5 | -67.8 | 110 | 0 | 0 | 0 | 111.7 | V854 C856 D870 C873 G875 K877 P878 | W833-V854 HydrophobicContact CE3-CG1 4.13Å; W833-C856 HydrophobicContact CE3-CB 4.08Å; W833-C856 HydrophobicContact CH2-CB 4.3Å; W833-C856 HydrophobicContact CZ3-CB 3.87Å; W833-D870 HydrophobicContact CH2-CB 3.61Å; W833-D870 VanDerWaalsContact CH2-CG 3.4Å; W833-D870 WeakPolarHBondContact CZ2-O 3.2Å; W833-D870 HydrophobicContact CZ3-CB 4.31Å; W833-D870 WeakPolarHBondContact CZ3-OD1 3.45Å; W833-C873 HydrophobicContact CD2-CB 3.87Å; W833-C873 HydrophobicContact CG-CB 4.16Å; W833-C873 HydrophobicContact CZ2-CB 3.88Å; W833-G875 PolarHBondContact NE1-O 3.22Å; W833-K877 HydrophobicContact CD2-CB 4.29Å; W833-K877 HydrophobicContact CD2-CG 4.09Å; W833-K877 HydrophobicContact CE3-CD 4.33Å; W833-K877 HydrophobicContact CE3-CG 3.9Å; W833-K877 HydrophobicContact CH2-CB 4.07Å; W833-K877 HydrophobicContact CH2-CD 3.55Å; W833-K877 HydrophobicContact CH2-CG 3.76Å; W833-K877 HydrophobicContact CZ2-CB 3.78Å; W833-K877 HydrophobicContact CZ2-CD 4.17Å; W833-K877 HydrophobicContact CZ2-CG 3.97Å; W833-K877 HydrophobicContact CZ3-CB 4.46Å; W833-K877 HydrophobicContact CZ3-CD 3.65Å; W833-K877 HydrophobicContact CZ3-CG 3.74Å; W833-P878 HydrophobicContact CB-CG 3.92Å |
| 834 | V | 79.4 | Confident | 70.5 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.8 | 167.7 | 173.3 | 0 | 0 | 0 | 0 | 109.2 | V854 S855 V857 | V834-V854 WeakPolarHBondContact O-CA 3.4Å; V834-S855 PolarHBondContact N-O 3.1Å; V834-S855 PolarHBondContact O-N 3Å; V834-V857 HydrophobicContact CB-CG2 3.97Å; V834-V857 HydrophobicContact CG2-CG2 3.42Å; V834-V857 VanDerWaalsContact CG2-CG2 3.42Å |
| 835 | A | 80.4 | Confident | 70.2 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q853 V854 P878 | A835-Q853 WeakPolarHBondContact CA-O 3.2Å; A835-V854 HydrophobicContact CB-CG1 4.37Å; A835-V854 HydrophobicContact CB-CG2 3.82Å; A835-P878 HydrophobicContact CB-CB 4.28Å |
| 836 | G | 74.7 | Confident | 70 | Confident | 40 Ų | 40 | 82 Ų | 82 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | trans | -76.6 | -175.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R852 Q853 | G836-R852 VanDerWaalsContact O-CD 3.25Å; G836-R852 WeakPolarHBondContact O-CD 3.33Å; G836-Q853 PolarHBondContact N-O 2.87Å | ||
| 837 | E | 80.6 | Confident | 70.4 | Confident | 185 Ų | 185 | 81.5 Ų | 81.5 | 86% | 0.864 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 156.6 | 176.8 | -62.4 | -174.5 | 165.6 | 0 | 0 | 112.3 | R852 | E837-R852 WeakPolarHBondContact O-CB 2.97Š|
| 838 | W | 82.6 | Confident | 71 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 27% | 0.269 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 127.3 | 176.2 | -68.2 | 113.2 | 0 | 0 | 0 | 110.8 | Q850 R852 V879 G880 Q882 | W838-Q850 HydrophobicContact CB-CB 4.42Å; W838-Q850 HydrophobicContact CE3-CB 4.15Å; W838-Q850 WeakPolarHBondContact CZ3-O 3.45Å; W838-R852 HydrophobicContact CD2-CB 4Å; W838-R852 HydrophobicContact CD2-CG 3.98Å; W838-R852 HydrophobicContact CE3-CB 3.64Å; W838-R852 HydrophobicContact CE3-CG 3.65Å; W838-R852 HydrophobicContact CH2-CG 3.85Å; W838-R852 HydrophobicContact CZ2-CG 4.18Å; W838-R852 VanDerWaalsContact CZ2-CZ 3.42Å; W838-R852 HydrophobicContact CZ3-CB 4.03Å; W838-R852 HydrophobicContact CZ3-CG 3.58Å; W838-V879 WeakPolarHBondContact CH2-O 3.13Å; W838-G880 VanDerWaalsContact CZ3-C 3.46Å; W838-G880 WeakPolarHBondContact CZ3-O 3.39Å; W838-Q882 HydrophobicContact CD2-CG 3.89Å; W838-Q882 HydrophobicContact CE3-CG 3.89Å; W838-Q882 HydrophobicContact CH2-CB 3.74Å; W838-Q882 HydrophobicContact CH2-CG 3.83Å; W838-Q882 HydrophobicContact CZ2-CB 3.88Å; W838-Q882 HydrophobicContact CZ2-CG 3.8Å; W838-Q882 VanDerWaalsContact CZ2-OE1 3.29Å; W838-Q882 HydrophobicContact CZ3-CB 4.15Å; W838-Q882 HydrophobicContact CZ3-CG 3.86Å; W838-Q882 VanDerWaalsContact NE1-OE1 3.13Å |
| 839 | G | 75.9 | Confident | 71.8 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q850 Q851 | G839-Q850 VanDerWaalsContact O-CG 3.24Å; G839-Q850 WeakPolarHBondContact O-CG 3.03Å; G839-Q851 PolarHBondContact N-O 3.38Å |
| 840 | P | 73 | Confident | 72.4 | Confident | 124 Ų | 124 | 74 Ų | 74 | 81% | 0.805 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 153.1 | 178.9 | 25.7 | -34.6 | 0 | 0 | 0 | 112.2 | S842 | P840-S842 PolarHBondContact O-N 3.01Š|
| 841 | C | 76.6 | Confident | 72.9 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.5 | 178.5 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | I843 Q850 C884 | C841-I843 PolarHBondContact O-N 3.43Å; C841-I843 PolarHBondContact SG-O 3.45Å; C841-Q850 HydrophobicContact CB-CG 4.12Å; C841-C884 VanDerWaalsContact CA-SG 3.51Å; C841-C884 HydrophobicContact CB-CB 3.84Å; C841-C884 WeakPolarHBondContact CB-SG 3.31Å; C841-C884 WeakPolarHBondContact SG-CB 3.15Å; C841-C884 CovalentContact SG-SG 2.03Å; C841-C884 PolarHBondContact SG-SG 2.79Å |
| 842 | S | 73.6 | Confident | 73.3 | Confident | 80 Ų | 80 | 71 Ų | 71 | 56% | 0.559 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -60.8 | -18.5 | -175.8 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | P840 L849 | P840-S842 PolarHBondContact O-N 3.01Å; S842-L849 WeakPolarHBondContact CB-O 3.43Å; S842-L849 PolarHBondContact N-O 3.38Å; S842-L849 PolarHBondContact OG-N 3.5Å; S842-L849 PolarHBondContact OG-O 2.75Å |
| 843 | I | 61.6 | Low | 73.5 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 35% | 0.349 | 41% | 0.412 | S | S | . | . | trans | -132.9 | 150.2 | 173.7 | 71.2 | -171.5 | 0 | 0 | 0 | 110.3 | C841 C845 N847 | C841-I843 PolarHBondContact O-N 3.43Å; C841-I843 PolarHBondContact SG-O 3.45Å; I843-C845 VanDerWaalsContact CD1-O 3.28Å; I843-C845 WeakPolarHBondContact CD1-O 3.46Å; I843-N847 VanDerWaalsContact CD1-C 3.42Å; I843-N847 WeakPolarHBondContact CD1-O 3.44Å | ||
| 844 | S | 63.7 | Low | 73.5 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -86.2 | -21.1 | 179.3 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | G886 N887 | S844-G886 CarbonylContact O-C 3.57Å; S844-G886 VanDerWaalsContact O-C 3.29Å; S844-G886 WeakPolarHBondContact O-CA 3.42Å; S844-N887 PolarHBondContact O-N 3.44Å |
| 845 | C | 58.7 | Low | 73.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 31% | 0.311 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -137.6 | 132.9 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 112 | I843 G886 N887 C889 | I843-C845 VanDerWaalsContact CD1-O 3.28Å; I843-C845 WeakPolarHBondContact CD1-O 3.46Å; C845-G886 WeakPolarHBondContact CA-O 3.3Å; C845-N887 WeakPolarHBondContact CA-O 3.39Å; C845-N887 WeakPolarHBondContact CB-O 3.26Å; C845-C889 HydrophobicContact CB-CB 4Å; C845-C889 WeakPolarHBondContact CB-SG 3.12Å; C845-C889 WeakPolarHBondContact SG-CB 3.45Å; C845-C889 CovalentContact SG-SG 2.06Å; C845-C889 PolarHBondContact SG-SG 3.09Å |
| 846 | G | 59.3 | Low | 73.5 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.5 | -169 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G848 E885 G886 | G846-G848 PolarHBondContact O-N 3.43Å; G846-E885 CarbonylContact O-C 3.59Å; G846-E885 WeakPolarHBondContact O-CA 3.41Å; G846-G886 PolarHBondContact N-O 2.89Å; G846-G886 PolarHBondContact O-N 3.26Å |
| 847 | N | 67.7 | Low | 73.7 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 60% | 0.599 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 109.1 | -171.9 | -64.5 | 28.8 | 0 | 0 | 0 | 112.1 | I843 C884 E885 | I843-N847 VanDerWaalsContact CD1-C 3.42Å; I843-N847 WeakPolarHBondContact CD1-O 3.44Å; N847-C884 CarbonylContact C-O 3.49Å; N847-C884 WeakPolarHBondContact CA-O 3.33Å; N847-E885 HydrophobicContact CB-CG 4.44Å; N847-E885 PolarHBondContact ND2-OE1 3.41Å; N847-E885 WeakPolarHBondContact OD1-CG 3.06Å; N847-E885 PolarHBondContact OD1-OE1 3.2Å |
| 848 | G | 67.8 | Low | 73.4 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -164.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G846 N883 C884 | G846-G848 PolarHBondContact O-N 3.43Å; G848-N883 CarbonylContact O-C 3.53Å; G848-N883 WeakPolarHBondContact O-CA 3.18Å; G848-C884 PolarHBondContact N-O 3.18Å; G848-C884 PolarHBondContact O-N 2.76Å; G848-C884 PolarHBondContact O-SG 3.34Å |
| 849 | L | 75.9 | Confident | 72.5 | Confident | 71 Ų | 71 | 59 Ų | 59 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.2 | 179.8 | -68.1 | 142.8 | 0 | 0 | 0 | 110.8 | S842 Q881 Q882 N883 C884 | S842-L849 WeakPolarHBondContact CB-O 3.43Å; S842-L849 PolarHBondContact N-O 3.38Å; S842-L849 PolarHBondContact OG-N 3.5Å; S842-L849 PolarHBondContact OG-O 2.75Å; L849-Q881 HydrophobicContact CB-CG 4.34Å; L849-Q881 HydrophobicContact CD2-CG 3.91Å; L849-Q882 CarbonylContact C-O 3.6Å; L849-Q882 VanDerWaalsContact CA-O 3.27Å; L849-Q882 WeakPolarHBondContact CA-O 3.02Å; L849-N883 WeakPolarHBondContact CD2-OD1 3.41Å; L849-C884 PolarHBondContact N-SG 3.26Å |
| 850 | Q | 73.9 | Confident | 71.7 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.3 | 168.5 | -76 | 171.9 | -21.9 | 0 | 0 | 109.5 | W838 G839 C841 Q881 Q882 C884 | W838-Q850 HydrophobicContact CB-CB 4.42Å; W838-Q850 HydrophobicContact CE3-CB 4.15Å; W838-Q850 WeakPolarHBondContact CZ3-O 3.45Å; G839-Q850 VanDerWaalsContact O-CG 3.24Å; G839-Q850 WeakPolarHBondContact O-CG 3.03Å; C841-Q850 HydrophobicContact CB-CG 4.12Å; Q850-Q881 CarbonylContact O-C 3.51Å; Q850-Q881 VanDerWaalsContact O-CA 3.31Å; Q850-Q881 WeakPolarHBondContact O-CA 3.28Å; Q850-Q882 HydrophobicContact CB-CG 4.02Å; Q850-Q882 PolarHBondContact N-O 2.53Å; Q850-Q882 PolarHBondContact O-N 2.84Å; Q850-C884 HydrophobicContact CG-CB 3.86Å |
| 851 | Q | 77.7 | Confident | 71 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.9 | 176.4 | -72.1 | -174 | -9.5 | 0 | 0 | 111.5 | G839 G880 Q881 | G839-Q851 PolarHBondContact N-O 3.38Å; Q851-G880 CarbonylContact C-O 3.57Å; Q851-G880 WeakPolarHBondContact CA-O 3.4Å; Q851-Q881 HydrophobicContact CG-CB 4.1Å; Q851-Q881 HydrophobicContact CG-CG 3.9Å |
| 852 | R | 80.2 | Confident | 69.9 | Low | 68 Ų | 68 | 67.6 Ų | 67.6 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | trans | -133.6 | 147.1 | 174.4 | 67 | -178.4 | 170.4 | 179.8 | -5.5 | 110.5 | G836 E837 W838 V854 V879 G880 | G836-R852 VanDerWaalsContact O-CD 3.25Å; G836-R852 WeakPolarHBondContact O-CD 3.33Å; E837-R852 WeakPolarHBondContact O-CB 2.97Å; W838-R852 HydrophobicContact CD2-CB 4Å; W838-R852 HydrophobicContact CD2-CG 3.98Å; W838-R852 HydrophobicContact CE3-CB 3.64Å; W838-R852 HydrophobicContact CE3-CG 3.65Å; W838-R852 HydrophobicContact CH2-CG 3.85Å; W838-R852 HydrophobicContact CZ2-CG 4.18Å; W838-R852 VanDerWaalsContact CZ2-CZ 3.42Å; W838-R852 HydrophobicContact CZ3-CB 4.03Å; W838-R852 HydrophobicContact CZ3-CG 3.58Å; R852-V854 HydrophobicContact CG-CG2 4.05Å; R852-V879 PolarHBondContact NE-O 2.99Å; R852-V879 PolarHBondContact NH2-O 3.38Å; R852-G880 PolarHBondContact N-O 2.86Å | ||
| 853 | Q | 77.9 | Confident | 69.1 | Low | 166 Ų | 166 | 66.8 Ų | 66.8 | 78% | 0.776 | 38% | 0.38 | S | S | * | . | trans | -70.7 | 135.8 | 170.1 | -90.1 | -163.6 | -20 | 0 | 0 | 111 | A835 G836 | A835-Q853 WeakPolarHBondContact CA-O 3.2Å; G836-Q853 PolarHBondContact N-O 2.87Å | ||
| 854 | V | 83.4 | Confident | 69 | Low | 15 Ų | 15 | 66.6 Ų | 66.6 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | W833 V834 A835 R852 K877 P878 | W833-V854 HydrophobicContact CE3-CG1 4.13Å; V834-V854 WeakPolarHBondContact O-CA 3.4Å; A835-V854 HydrophobicContact CB-CG1 4.37Å; A835-V854 HydrophobicContact CB-CG2 3.82Å; R852-V854 HydrophobicContact CG-CG2 4.05Å; V854-K877 HydrophobicContact CG1-CG 3.91Å; V854-K877 VanDerWaalsContact O-CE 3.23Å; V854-K877 WeakPolarHBondContact O-CE 3.48Å; V854-K877 PolarHBondContact O-NZ 2.94Å; V854-P878 HydrophobicContact CG1-CB 3.81Å; V854-P878 HydrophobicContact CG1-CG 3.85Å; V854-P878 HydrophobicContact CG2-CB 4.31Å |
| 855 | S | 78.2 | Confident | 69.3 | Low | 28 Ų | 28 | 66 Ų | 66 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.4 | -173.1 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | V834 H867 | V834-S855 PolarHBondContact N-O 3.1Å; V834-S855 PolarHBondContact O-N 3Å; S855-H867 PolarHBondContact OG-CE1 2.99Å; S855-H867 VanDerWaalsContact OG-CE1 3.27Å; S855-H867 PolarHBondContact OG-ND1 2.89Å |
| 856 | C | 81.6 | Confident | 69.9 | Low | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.2 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | W833 H867 T868 C873 | W833-C856 HydrophobicContact CE3-CB 4.08Å; W833-C856 HydrophobicContact CH2-CB 4.3Å; W833-C856 HydrophobicContact CZ3-CB 3.87Å; C856-H867 WeakPolarHBondContact O-CA 3.22Å; C856-T868 PolarHBondContact O-N 3.03Å; C856-T868 PolarHBondContact SG-OG1 2.87Å; C856-C873 WeakPolarHBondContact CA-SG 3.1Å; C856-C873 HydrophobicContact CB-CB 3.79Å; C856-C873 WeakPolarHBondContact CB-SG 3.36Å; C856-C873 WeakPolarHBondContact SG-CB 3.39Å; C856-C873 PolarHBondContact SG-N 2.03Å; C856-C873 CovalentContact SG-SG 2.02Å; C856-C873 PolarHBondContact SG-SG 3.35Å |
| 857 | V | 77.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.2 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | R832 V834 L865 I866 | R832-V857 HydrophobicContact CG-CG2 4.39Å; R832-V857 PolarHBondContact N-O 3.21Å; R832-V857 PolarHBondContact O-N 3.04Å; V834-V857 HydrophobicContact CB-CG2 3.97Å; V834-V857 HydrophobicContact CG2-CG2 3.42Å; V834-V857 VanDerWaalsContact CG2-CG2 3.42Å; V857-L865 HydrophobicContact CB-CB 4.27Å; V857-L865 HydrophobicContact CG1-CB 4.44Å; V857-L865 HydrophobicContact CG2-CB 4.27Å; V857-L865 HydrophobicContact CG2-CD2 4.04Å; V857-I866 CarbonylContact C-O 3.29Å; V857-I866 WeakPolarHBondContact CA-O 3.19Å; V857-I866 WeakPolarHBondContact CB-O 3.01Å |
| 858 | Y | 74.6 | Confident | 70.7 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.1 | 159.1 | 70.8 | -75.2 | 0 | 0 | 0 | 110.1 | Q783 Q830 Y831 I866 T868 | Q783-Y858 PolarHBondContact OE1-OH 3.07Å; Q783-Y858 VanDerWaalsContact OE1-OH 3.07Å; Q830-Y858 WeakPolarHBondContact O-CB 3.24Å; Y831-Y858 HydrophobicContact CD1-CD1 4.05Å; Y831-Y858 HydrophobicContact CD1-CG 4.26Å; Y831-Y858 AromaticContact CE1-CD1 3.96Å; Y831-Y858 HydrophobicContact CE1-CD1 3.96Å; Y831-Y858 HydrophobicContact CE1-CG 4.31Å; Y858-I866 HydrophobicContact CD1-CB 4.18Å; Y858-I866 HydrophobicContact CD1-CG2 4.49Å; Y858-I866 HydrophobicContact CE1-CB 3.75Å; Y858-I866 HydrophobicContact CE1-CG2 3.71Å; Y858-I866 HydrophobicContact CE2-CD1 4.3Å; Y858-I866 PolarHBondContact N-O 2.01Å; Y858-I866 PolarHBondContact O-N 2.84Å; Y858-T868 HydrophobicContact CD1-CG2 3.42Å; Y858-T868 VanDerWaalsContact CD1-CG2 3.42Å; Y858-T868 HydrophobicContact CE1-CG2 3.45Å; Y858-T868 VanDerWaalsContact CE1-CG2 3.45Å |
| 859 | P | 64.1 | Low | 70.9 | Confident | 66 Ų | 66 | 74 Ų | 74 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.4 | 172 | 29.8 | -31.8 | 0 | 0 | 0 | 109.8 | L865 | P859-L865 HydrophobicContact CB-CD2 4.21Å |
| 860 | S | 59.3 | Low | 70.7 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 24% | 0.238 | 40% | 0.397 | C | S | . | . | trans | -75.7 | 159.7 | 166 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | N862 G863 S864 | S860-N862 PolarHBondContact O-N 3.3Å; S860-N862 VanDerWaalsContact O-N 3.09Å; S860-G863 PolarHBondContact O-N 3.29Å; S860-S864 WeakPolarHBondContact CB-O 3Å; S860-S864 PolarHBondContact N-O 2.94Å | ||
| 861 | L | 56.7 | Low | 70.4 | Confident | 181 Ų | 181 | 81.3 Ų | 81.3 | 95% | 0.948 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.5 | 177.8 | -79.8 | 152.7 | 0 | 0 | 0 | 113.4 | G863 | L861-G863 VanDerWaalsContact C-N 3.29Å; L861-G863 PolarHBondContact O-N 3.13Å |
| 862 | N | 54.9 | Low | 70 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 80% | 0.797 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 13.6 | 175.4 | -72.8 | -4.1 | 0 | 0 | 0 | 113.9 | S860 S864 | S860-N862 PolarHBondContact O-N 3.3Å; S860-N862 VanDerWaalsContact O-N 3.09Å; N862-S864 PolarHBondContact O-N 3.27Å; N862-S864 VanDerWaalsContact O-N 3.15Å |
| 863 | G | 56.5 | Low | 69.6 | Low | 63 Ų | 63 | 74.8 Ų | 74.8 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 76.3 | -7.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S860 L861 | S860-G863 PolarHBondContact O-N 3.29Å; L861-G863 VanDerWaalsContact C-N 3.29Å; L861-G863 PolarHBondContact O-N 3.13Å |
| 864 | S | 59.6 | Low | 69.2 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | trans | -74.4 | 137.9 | 174.4 | 45.5 | 0 | 0 | 0 | 0 | 112 | S860 N862 | S860-S864 WeakPolarHBondContact CB-O 3Å; S860-S864 PolarHBondContact N-O 2.94Å; N862-S864 PolarHBondContact O-N 3.27Å; N862-S864 VanDerWaalsContact O-N 3.15Å | ||
| 865 | L | 68.8 | Low | 68.3 | Low | 77 Ų | 77 | 77 Ų | 77 | 40% | 0.403 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.1 | -179.6 | -61.8 | 169.1 | 0 | 0 | 0 | 109.7 | V857 P859 | V857-L865 HydrophobicContact CB-CB 4.27Å; V857-L865 HydrophobicContact CG1-CB 4.44Å; V857-L865 HydrophobicContact CG2-CB 4.27Å; V857-L865 HydrophobicContact CG2-CD2 4.04Å; P859-L865 HydrophobicContact CB-CD2 4.21Å |
| 866 | I | 71.1 | Confident | 68 | Low | 60 Ų | 60 | 79.3 Ų | 79.3 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.4 | -178.8 | -59 | 178.5 | 0 | 0 | 0 | 109.1 | V857 Y858 | V857-I866 CarbonylContact C-O 3.29Å; V857-I866 WeakPolarHBondContact CA-O 3.19Å; V857-I866 WeakPolarHBondContact CB-O 3.01Å; Y858-I866 HydrophobicContact CD1-CB 4.18Å; Y858-I866 HydrophobicContact CD1-CG2 4.49Å; Y858-I866 HydrophobicContact CE1-CB 3.75Å; Y858-I866 HydrophobicContact CE1-CG2 3.71Å; Y858-I866 HydrophobicContact CE2-CD1 4.3Å; Y858-I866 PolarHBondContact N-O 2.01Å; Y858-I866 PolarHBondContact O-N 2.84Å |
| 867 | H | 71.4 | Confident | 67.9 | Low | 133 Ų | 133 | 84.1 Ų | 84.1 | 62% | 0.616 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.3 | 178.9 | -62.8 | -88.4 | 0 | 0 | 0 | 112.3 | S855 C856 | S855-H867 PolarHBondContact OG-CE1 2.99Å; S855-H867 VanDerWaalsContact OG-CE1 3.27Å; S855-H867 PolarHBondContact OG-ND1 2.89Å; C856-H867 WeakPolarHBondContact O-CA 3.22Å |
| 868 | T | 72.4 | Confident | 68 | Low | 40 Ų | 40 | 86.1 Ų | 86.1 | 25% | 0.245 | 48% | 0.482 | C | S | . | . | trans | -132 | -175.3 | -179.6 | 53 | 0 | 0 | 0 | 0 | 111.7 | Y831 C856 Y858 | Y831-T868 HydrophobicContact CD1-CG2 4.33Å; Y831-T868 HydrophobicContact CE1-CG2 4.12Å; C856-T868 PolarHBondContact O-N 3.03Å; C856-T868 PolarHBondContact SG-OG1 2.87Å; Y858-T868 HydrophobicContact CD1-CG2 3.42Å; Y858-T868 VanDerWaalsContact CD1-CG2 3.42Å; Y858-T868 HydrophobicContact CE1-CG2 3.45Å; Y858-T868 VanDerWaalsContact CE1-CG2 3.45Å | ||
| 869 | K | 72 | Confident | 68 | Low | 135 Ų | 135 | 89.3 Ų | 89.3 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | trans | -79.3 | 140.3 | -175.5 | -61.4 | 170.7 | -176.3 | 168.1 | 0 | 109 | R871 D872 | K869-R871 HydrophobicContact CB-CG 4.3Å; K869-R871 PolarHBondContact O-N 2.79Å; K869-D872 WeakPolarHBondContact CB-OD2 3.32Å; K869-D872 PolarHBondContact N-OD2 3.26Å; K869-D872 VanDerWaalsContact N-OD2 3.13Å; K869-D872 WeakPolarHBondContact O-CB 3.33Å; K869-D872 PolarHBondContact O-N 2.98Å | ||
| 870 | D | 72.6 | Confident | 68.5 | Low | 77 Ų | 77 | 87.5 Ų | 87.5 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -27 | 179 | -84 | 20.6 | 0 | 0 | 0 | 114.9 | W833 D872 K877 | W833-D870 HydrophobicContact CH2-CB 3.61Å; W833-D870 VanDerWaalsContact CH2-CG 3.4Å; W833-D870 WeakPolarHBondContact CZ2-O 3.2Å; W833-D870 HydrophobicContact CZ3-CB 4.31Å; W833-D870 WeakPolarHBondContact CZ3-OD1 3.45Å; D870-D872 VanDerWaalsContact C-N 3.29Å; D870-D872 PolarHBondContact O-N 3.33Å; D870-K877 IonicContact OD1-NZ 2.72Å; D870-K877 IonicContact OD2-NZ 3.73Å; D870-K877 PolarHBondContact OD2-NZ 3.48Å |
| 871 | R | 68.3 | Low | 69.3 | Low | 194 Ų | 194 | 90.3 Ų | 90.3 | 73% | 0.732 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.5 | 177.6 | 81.1 | -178.7 | 79.5 | -176.5 | 1.7 | 114 | K869 | K869-R871 HydrophobicContact CB-CG 4.3Å; K869-R871 PolarHBondContact O-N 2.79Å |
| 872 | D | 68.1 | Low | 70.4 | Confident | 42 Ų | 42 | 85 Ų | 85 | 23% | 0.225 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -28.5 | -170.7 | -50.4 | -35.6 | 0 | 0 | 0 | 110.3 | Y831 K869 D870 H874 | Y831-D872 HydrophobicContact CD1-CB 3.97Å; Y831-D872 HydrophobicContact CD2-CB 3.88Å; Y831-D872 VanDerWaalsContact CD2-O 3.31Å; Y831-D872 WeakPolarHBondContact CD2-O 3.49Å; Y831-D872 HydrophobicContact CE1-CB 4.15Å; Y831-D872 HydrophobicContact CE2-CB 4.05Å; Y831-D872 HydrophobicContact CG-CB 3.84Å; K869-D872 WeakPolarHBondContact CB-OD2 3.32Å; K869-D872 PolarHBondContact N-OD2 3.26Å; K869-D872 VanDerWaalsContact N-OD2 3.13Å; K869-D872 WeakPolarHBondContact O-CB 3.33Å; K869-D872 PolarHBondContact O-N 2.98Å; D870-D872 VanDerWaalsContact C-N 3.29Å; D870-D872 PolarHBondContact O-N 3.33Å; D872-H874 PolarHBondContact O-N 3.02Å; D872-H874 PolarHBondContact O-ND1 3.04Å |
| 873 | C | 73.3 | Confident | 71.5 | Confident | 7 Ų | 7 | 84 Ų | 84 | 5% | 0.047 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -79.8 | 108.3 | 173.4 | -75 | 0 | 0 | 0 | 0 | 111.7 | R832 W833 C856 | R832-C873 PolarHBondContact N-SG 3.31Å; R832-C873 VanDerWaalsContact N-SG 3.37Å; R832-C873 PolarHBondContact O-SG 3.19Å; W833-C873 HydrophobicContact CD2-CB 3.87Å; W833-C873 HydrophobicContact CG-CB 4.16Å; W833-C873 HydrophobicContact CZ2-CB 3.88Å; C856-C873 WeakPolarHBondContact CA-SG 3.1Å; C856-C873 HydrophobicContact CB-CB 3.79Å; C856-C873 WeakPolarHBondContact CB-SG 3.36Å; C856-C873 WeakPolarHBondContact SG-CB 3.39Å; C856-C873 PolarHBondContact SG-N 2.03Å; C856-C873 CovalentContact SG-SG 2.02Å; C856-C873 PolarHBondContact SG-SG 3.35Å |
| 874 | H | 67.4 | Low | 72.3 | Confident | 169 Ų | 169 | 81.8 Ų | 81.8 | 78% | 0.782 | 45% | 0.448 | S | S | * | . | trans | -84 | 133.4 | 177.1 | -65.6 | 67.7 | 0 | 0 | 0 | 110.4 | D872 | D872-H874 PolarHBondContact O-N 3.02Å; D872-H874 PolarHBondContact O-ND1 3.04Å | ||
| 875 | G | 64.6 | Low | 72.4 | Confident | 60 Ų | 60 | 85.9 Ų | 85.9 | 62% | 0.619 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 114.2 | 161 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | W833 K877 | W833-G875 PolarHBondContact NE1-O 3.22Å; G875-K877 PolarHBondContact O-N 3.4Å |
| 876 | G | 71.8 | Confident | 71.9 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 78% | 0.784 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 122.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P878 | G876-P878 WeakPolarHBondContact O-CD 3.37Š|
| 877 | K | 80 | Confident | 71 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 125.9 | 176.5 | -175.2 | 172.9 | -173.5 | 170 | 0 | 109.9 | W833 V854 D870 G875 | W833-K877 HydrophobicContact CD2-CB 4.29Å; W833-K877 HydrophobicContact CD2-CG 4.09Å; W833-K877 HydrophobicContact CE3-CD 4.33Å; W833-K877 HydrophobicContact CE3-CG 3.9Å; W833-K877 HydrophobicContact CH2-CB 4.07Å; W833-K877 HydrophobicContact CH2-CD 3.55Å; W833-K877 HydrophobicContact CH2-CG 3.76Å; W833-K877 HydrophobicContact CZ2-CB 3.78Å; W833-K877 HydrophobicContact CZ2-CD 4.17Å; W833-K877 HydrophobicContact CZ2-CG 3.97Å; W833-K877 HydrophobicContact CZ3-CB 4.46Å; W833-K877 HydrophobicContact CZ3-CD 3.65Å; W833-K877 HydrophobicContact CZ3-CG 3.74Å; V854-K877 HydrophobicContact CG1-CG 3.91Å; V854-K877 VanDerWaalsContact O-CE 3.23Å; V854-K877 WeakPolarHBondContact O-CE 3.48Å; V854-K877 PolarHBondContact O-NZ 2.94Å; D870-K877 IonicContact OD1-NZ 2.72Å; D870-K877 IonicContact OD2-NZ 3.73Å; D870-K877 PolarHBondContact OD2-NZ 3.48Å; G875-K877 PolarHBondContact O-N 3.4Å |
| 878 | P | 79.7 | Confident | 69.9 | Low | 43 Ų | 43 | 91.4 Ų | 91.4 | 28% | 0.279 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 140.5 | 176.1 | -26.9 | 31.9 | 0 | 0 | 0 | 112.6 | W833 A835 V854 G876 G880 | W833-P878 HydrophobicContact CB-CG 3.92Å; A835-P878 HydrophobicContact CB-CB 4.28Å; V854-P878 HydrophobicContact CG1-CB 3.81Å; V854-P878 HydrophobicContact CG1-CG 3.85Å; V854-P878 HydrophobicContact CG2-CB 4.31Å; G876-P878 WeakPolarHBondContact O-CD 3.37Å; P878-G880 PolarHBondContact O-N 2.86Å |
| 879 | V | 75.6 | Confident | 68.8 | Low | 105 Ų | 105 | 91.7 Ų | 91.7 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 125 | 175.4 | -78.7 | 0 | 0 | 0 | 0 | 110.8 | W838 R852 | W838-V879 WeakPolarHBondContact CH2-O 3.13Å; R852-V879 PolarHBondContact NE-O 2.99Å; R852-V879 PolarHBondContact NH2-O 3.38Å |
| 880 | G | 75.2 | Confident | 68.1 | Low | 28 Ų | 28 | 92.5 Ų | 92.5 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -93.5 | 6.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W838 Q851 R852 P878 | W838-G880 VanDerWaalsContact CZ3-C 3.46Å; W838-G880 WeakPolarHBondContact CZ3-O 3.39Å; Q851-G880 CarbonylContact C-O 3.57Å; Q851-G880 WeakPolarHBondContact CA-O 3.4Å; R852-G880 PolarHBondContact N-O 2.86Å; P878-G880 PolarHBondContact O-N 2.86Å |
| 881 | Q | 76.2 | Confident | 67.3 | Low | 92 Ų | 92 | 91.9 Ų | 91.9 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 136.4 | 179.8 | -171.2 | 161.7 | -7.7 | 0 | 0 | 110.8 | L849 Q850 Q851 | L849-Q881 HydrophobicContact CB-CG 4.34Å; L849-Q881 HydrophobicContact CD2-CG 3.91Å; Q850-Q881 CarbonylContact O-C 3.51Å; Q850-Q881 VanDerWaalsContact O-CA 3.31Å; Q850-Q881 WeakPolarHBondContact O-CA 3.28Å; Q851-Q881 HydrophobicContact CG-CB 4.1Å; Q851-Q881 HydrophobicContact CG-CG 3.9Å |
| 882 | Q | 78.1 | Confident | 66.7 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 33% | 0.332 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.3 | 175.9 | 71.9 | 176 | 15.6 | 0 | 0 | 111.1 | W838 L849 Q850 | W838-Q882 HydrophobicContact CD2-CG 3.89Å; W838-Q882 HydrophobicContact CE3-CG 3.89Å; W838-Q882 HydrophobicContact CH2-CB 3.74Å; W838-Q882 HydrophobicContact CH2-CG 3.83Å; W838-Q882 HydrophobicContact CZ2-CB 3.88Å; W838-Q882 HydrophobicContact CZ2-CG 3.8Å; W838-Q882 VanDerWaalsContact CZ2-OE1 3.29Å; W838-Q882 HydrophobicContact CZ3-CB 4.15Å; W838-Q882 HydrophobicContact CZ3-CG 3.86Å; W838-Q882 VanDerWaalsContact NE1-OE1 3.13Å; L849-Q882 CarbonylContact C-O 3.6Å; L849-Q882 VanDerWaalsContact CA-O 3.27Å; L849-Q882 WeakPolarHBondContact CA-O 3.02Å; Q850-Q882 HydrophobicContact CB-CG 4.02Å; Q850-Q882 PolarHBondContact N-O 2.53Å; Q850-Q882 PolarHBondContact O-N 2.84Å |
| 883 | N | 79.4 | Confident | 67 | Low | 128 Ų | 128 | 86.4 Ų | 86.4 | 68% | 0.684 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 153.4 | 174 | -66.4 | 10.4 | 0 | 0 | 0 | 111.5 | G848 L849 | G848-N883 CarbonylContact O-C 3.53Å; G848-N883 WeakPolarHBondContact O-CA 3.18Å; L849-N883 WeakPolarHBondContact CD2-OD1 3.41Å |
| 884 | C | 71.9 | Confident | 66.6 | Low | 16 Ų | 16 | 89.1 Ų | 89.1 | 11% | 0.108 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.3 | 175.6 | 53 | 0 | 0 | 0 | 0 | 110 | C841 N847 G848 L849 Q850 | C841-C884 VanDerWaalsContact CA-SG 3.51Å; C841-C884 HydrophobicContact CB-CB 3.84Å; C841-C884 WeakPolarHBondContact CB-SG 3.31Å; C841-C884 WeakPolarHBondContact SG-CB 3.15Å; C841-C884 CovalentContact SG-SG 2.03Å; C841-C884 PolarHBondContact SG-SG 2.79Å; N847-C884 CarbonylContact C-O 3.49Å; N847-C884 WeakPolarHBondContact CA-O 3.33Å; G848-C884 PolarHBondContact N-O 3.18Å; G848-C884 PolarHBondContact O-N 2.76Å; G848-C884 PolarHBondContact O-SG 3.34Å; L849-C884 PolarHBondContact N-SG 3.26Å; Q850-C884 HydrophobicContact CG-CB 3.86Å |
| 885 | E | 62.8 | Low | 66.7 | Low | 150 Ų | 150 | 83 Ų | 83 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.6 | 176.5 | -56.5 | -170 | 159.8 | 0 | 0 | 110.5 | G846 N847 | G846-E885 CarbonylContact O-C 3.59Å; G846-E885 WeakPolarHBondContact O-CA 3.41Å; N847-E885 HydrophobicContact CB-CG 4.44Å; N847-E885 PolarHBondContact ND2-OE1 3.41Å; N847-E885 WeakPolarHBondContact OD1-CG 3.06Å; N847-E885 PolarHBondContact OD1-OE1 3.2Å |
| 886 | G | 57.3 | Low | 67.2 | Low | 22 Ų | 22 | 81.9 Ų | 81.9 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S844 C845 G846 | S844-G886 CarbonylContact O-C 3.57Å; S844-G886 VanDerWaalsContact O-C 3.29Å; S844-G886 WeakPolarHBondContact O-CA 3.42Å; C845-G886 WeakPolarHBondContact CA-O 3.3Å; G846-G886 PolarHBondContact N-O 2.89Å; G846-G886 PolarHBondContact O-N 3.26Å |
| 887 | N | 52.5 | Low | 67.6 | Low | 145 Ų | 145 | 85.3 Ų | 85.3 | 78% | 0.775 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 147.7 | -171.7 | -67.9 | -29 | 0 | 0 | 0 | 114.7 | S844 C845 | S844-N887 PolarHBondContact O-N 3.44Å; C845-N887 WeakPolarHBondContact CA-O 3.39Å; C845-N887 WeakPolarHBondContact CB-O 3.26Å |
| 888 | F | 48.5 | Very low | 67.6 | Low | 219 Ų | 219 | 83.7 Ų | 83.7 | 96% | 0.961 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 138 | -176.1 | -84.1 | -99.7 | 0 | 0 | 0 | 116.1 | ||
| 889 | C | 50.2 | Low | 67.5 | Low | 46 Ų | 46 | 85 Ų | 85 | 31% | 0.311 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 134.3 | -173.8 | -81.5 | 0 | 0 | 0 | 0 | 114.1 | C845 | C845-C889 HydrophobicContact CB-CB 4Å; C845-C889 WeakPolarHBondContact CB-SG 3.12Å; C845-C889 WeakPolarHBondContact SG-CB 3.45Å; C845-C889 CovalentContact SG-SG 2.06Å; C845-C889 PolarHBondContact SG-SG 3.09Å |
| 890 | L | 55.9 | Low | 67.4 | Low | 152 Ų | 152 | 88.7 Ų | 88.7 | 80% | 0.796 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 146.5 | 169.9 | -76.4 | 168.7 | 0 | 0 | 0 | 112.3 | ||
| 891 | P | 56.7 | Low | 67.5 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 41% | 0.409 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 129.5 | -179 | -14.6 | 29 | 0 | 0 | 0 | 113.6 | ||
| 892 | A | 56.2 | Low | 67.3 | Low | 53 Ų | 53 | 88.4 Ų | 88.4 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | trans | -149.6 | 148.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E894 R917 C923 | A892-E894 PolarHBondContact O-N 3.3Å; A892-R917 WeakPolarHBondContact O-CB 3.41Å; A892-R917 PolarHBondContact O-N 2.87Å; A892-C923 VanDerWaalsContact C-SG 3.56Å | ||
| 893 | W | 73.3 | Confident | 66.4 | Low | 68 Ų | 68 | 87 Ų | 87 | 26% | 0.258 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.6 | 172.8 | -72.4 | 112.5 | 0 | 0 | 0 | 111.2 | V914 C916 C923 E924 S927 K928 P929 | W893-V914 HydrophobicContact CE3-CG1 3.9Å; W893-V914 HydrophobicContact CZ3-CG1 4.49Å; W893-C916 HydrophobicContact CE3-CB 4.01Å; W893-C916 HydrophobicContact CH2-CB 4.23Å; W893-C916 HydrophobicContact CZ3-CB 3.82Å; W893-C923 HydrophobicContact CD2-CB 3.73Å; W893-C923 HydrophobicContact CE3-CB 4.36Å; W893-C923 HydrophobicContact CG-CB 4.07Å; W893-C923 HydrophobicContact CH2-CB 4.32Å; W893-C923 HydrophobicContact CZ2-CB 3.7Å; W893-C923 WeakPolarHBondContact CZ2-O 3.17Å; W893-E924 PolarHBondContact NE1-O 2.88Å; W893-S927 PolarHBondContact NE1-OG 2.76Å; W893-K928 HydrophobicContact CD2-CB 4.15Å; W893-K928 HydrophobicContact CD2-CG 4.01Å; W893-K928 HydrophobicContact CE3-CD 4.48Å; W893-K928 HydrophobicContact CE3-CG 4Å; W893-K928 HydrophobicContact CH2-CB 4.43Å; W893-K928 HydrophobicContact CH2-CD 3.77Å; W893-K928 HydrophobicContact CH2-CG 4.01Å; W893-K928 HydrophobicContact CZ2-CB 3.9Å; W893-K928 HydrophobicContact CZ2-CD 4.08Å; W893-K928 HydrophobicContact CZ2-CG 3.99Å; W893-K928 HydrophobicContact CZ3-CD 3.97Å; W893-K928 HydrophobicContact CZ3-CG 4Å; W893-P929 HydrophobicContact CB-CG 4.4Å |
| 894 | E | 64.7 | Low | 65.5 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.9 | 179.1 | -176.2 | 166.6 | -159 | 0 | 0 | 109.7 | A892 V914 R915 R917 | A892-E894 PolarHBondContact O-N 3.3Å; E894-V914 WeakPolarHBondContact O-CA 3.38Å; E894-R915 PolarHBondContact N-O 3.06Å; E894-R915 PolarHBondContact O-N 3.12Å; E894-R917 IonicContact OE1-CZ 2.79Å; E894-R917 IonicContact OE1-NH2 2.66Å; E894-R917 PolarHBondContact OE1-NH2 2.74Å; E894-R917 IonicContact OE2-CZ 2.95Å; E894-R917 VanDerWaalsContact OE2-CZ 3.32Å; E894-R917 IonicContact OE2-NE 3.61Å; E894-R917 PolarHBondContact OE2-NE 2.95Å; E894-R917 IonicContact OE2-NH2 2.71Å; E894-R917 PolarHBondContact OE2-NH2 3.35Å |
| 895 | A | 70.9 | Confident | 64.9 | Low | 40 Ų | 40 | 84.5 Ų | 84.5 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T913 V914 P929 | A895-T913 WeakPolarHBondContact CA-O 3.05Å; A895-V914 HydrophobicContact CB-CG2 3.91Å; A895-P929 HydrophobicContact CB-CB 4.14Å; A895-P929 HydrophobicContact CB-CG 4.25Å |
| 896 | S | 74.3 | Confident | 64.9 | Low | 37 Ų | 37 | 78.3 Ų | 78.3 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 171.3 | 170.9 | 73.4 | 0 | 0 | 0 | 0 | 111.8 | R912 T913 | S896-R912 WeakPolarHBondContact O-CB 3.5Å; S896-R912 WeakPolarHBondContact O-CD 3.22Å; S896-T913 WeakPolarHBondContact CB-OG1 3.26Å; S896-T913 PolarHBondContact N-O 3.08Å; S896-T913 PolarHBondContact OG-N 2.75Å; S896-T913 PolarHBondContact OG-OG1 2.87Å |
| 897 | D | 80.6 | Confident | 65.4 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 80% | 0.797 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 155.5 | 162.3 | -61.7 | -50.2 | 0 | 0 | 0 | 111.4 | R912 | D897-R912 WeakPolarHBondContact O-CB 3.44Š|
| 898 | W | 80.4 | Confident | 66.1 | Low | 66 Ų | 66 | 80.1 Ų | 80.1 | 25% | 0.25 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 138 | 173.9 | -66.6 | 113.4 | 0 | 0 | 0 | 111 | R910 T911 R912 S930 E933 | W898-R910 HydrophobicContact CB-CG 4.28Å; W898-R910 HydrophobicContact CD2-CG 4.25Å; W898-R910 HydrophobicContact CE3-CG 4.1Å; W898-R910 HydrophobicContact CG-CG 4.37Å; W898-R910 VanDerWaalsContact CZ3-O 3.31Å; W898-R910 WeakPolarHBondContact CZ3-O 3.02Å; W898-T911 VanDerWaalsContact CE3-C 3.46Å; W898-R912 HydrophobicContact CD2-CB 4.1Å; W898-R912 HydrophobicContact CD2-CG 4.1Å; W898-R912 HydrophobicContact CE3-CB 3.66Å; W898-R912 HydrophobicContact CE3-CG 3.66Å; W898-R912 HydrophobicContact CH2-CG 3.9Å; W898-R912 HydrophobicContact CZ2-CG 4.31Å; W898-R912 VanDerWaalsContact CZ2-NE 3.28Å; W898-R912 HydrophobicContact CZ3-CB 4.03Å; W898-R912 HydrophobicContact CZ3-CG 3.55Å; W898-S930 WeakPolarHBondContact CH2-O 3.19Å; W898-E933 HydrophobicContact CD2-CG 4.2Å; W898-E933 HydrophobicContact CE3-CG 4.16Å; W898-E933 HydrophobicContact CH2-CB 3.86Å; W898-E933 HydrophobicContact CH2-CG 3.62Å; W898-E933 HydrophobicContact CZ2-CB 4.15Å; W898-E933 HydrophobicContact CZ2-CG 3.62Å; W898-E933 WeakPolarHBondContact CZ2-OE2 3.19Å; W898-E933 HydrophobicContact CZ3-CB 4.36Å; W898-E933 HydrophobicContact CZ3-CG 3.9Å; W898-E933 PolarHBondContact NE1-OE1 3.02Å |
| 899 | T | 77.8 | Confident | 67.5 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 164 | 167 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | R910 T911 | T899-R910 WeakPolarHBondContact O-CB 3.17Å; T899-T911 WeakPolarHBondContact CG2-O 3.46Å; T899-T911 PolarHBondContact N-O 3.06Å; T899-T911 PolarHBondContact OG1-N 2.83Å; T899-T911 PolarHBondContact OG1-O 2.84Å; T899-T911 PolarHBondContact OG1-OG1 2.67Å |
| 900 | Q | 72.6 | Confident | 68.5 | Low | 184 Ų | 184 | 74.6 Ų | 74.6 | 86% | 0.86 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 153.4 | 160.2 | -71.2 | 178.5 | -15.5 | 0 | 0 | 110.3 | S902 | Q900-S902 PolarHBondContact O-N 3.43Š|
| 901 | C | 76.9 | Confident | 69.6 | Low | 19 Ų | 19 | 69.9 Ų | 69.9 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -59 | 133.3 | 178.8 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | S903 G908 C935 | C901-S903 PolarHBondContact O-N 2.86Å; C901-G908 VanDerWaalsContact SG-CA 3.57Å; C901-C935 WeakPolarHBondContact CA-SG 3.24Å; C901-C935 HydrophobicContact CB-CB 3.98Å; C901-C935 WeakPolarHBondContact CB-SG 3.34Å; C901-C935 WeakPolarHBondContact SG-CB 3.03Å; C901-C935 CovalentContact SG-SG 2.03Å; C901-C935 PolarHBondContact SG-SG 3.29Å |
| 902 | S | 73 | Confident | 70.5 | Confident | 94 Ų | 94 | 69.4 Ų | 69.4 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -61.8 | -14.5 | -176.1 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | Q900 G908 V909 | Q900-S902 PolarHBondContact O-N 3.43Å; S902-G908 WeakPolarHBondContact OG-CA 3.18Å; S902-V909 WeakPolarHBondContact CB-O 3.46Å; S902-V909 PolarHBondContact N-O 2.98Å; S902-V909 PolarHBondContact OG-N 3.45Å; S902-V909 PolarHBondContact OG-O 2.96Å |
| 903 | S | 58 | Low | 71.3 | Confident | 41 Ų | 41 | 70.5 Ų | 70.5 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | trans | -125.4 | 131.9 | 168.6 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | C901 C905 | C901-S903 PolarHBondContact O-N 2.86Å; S903-C905 WeakPolarHBondContact CB-O 3.41Å; S903-C905 PolarHBondContact O-N 2.9Å; S903-C905 PolarHBondContact OG-N 2.86Å; S903-C905 PolarHBondContact OG-O 2.94Å | ||
| 904 | A | 60.9 | Low | 71.5 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -78.3 | 8.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 905 | C | 59.6 | Low | 71.8 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 14% | 0.135 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -152.5 | 119.7 | -174.8 | 175.7 | 0 | 0 | 0 | 0 | 112 | S903 E937 C941 H969 | S903-C905 WeakPolarHBondContact CB-O 3.41Å; S903-C905 PolarHBondContact O-N 2.9Å; S903-C905 PolarHBondContact OG-N 2.86Å; S903-C905 PolarHBondContact OG-O 2.94Å; C905-E937 CarbonylContact C-O 3.6Å; C905-E937 WeakPolarHBondContact CA-O 3.46Å; C905-C941 WeakPolarHBondContact CA-SG 3.46Å; C905-C941 HydrophobicContact CB-CB 4.04Å; C905-C941 WeakPolarHBondContact CB-SG 3.43Å; C905-C941 WeakPolarHBondContact SG-CA 3.46Å; C905-C941 WeakPolarHBondContact SG-CB 3.25Å; C905-C941 CovalentContact SG-SG 2.02Å; C905-C941 PolarHBondContact SG-SG 3.12Å; C905-H969 PolarHBondContact SG-CE1 2.88Å; C905-H969 PolarHBondContact SG-NE2 3.01Å |
| 906 | G | 62 | Low | 71.7 | Confident | 19 Ų | 19 | 71 Ų | 71 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67 | -157.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G908 E936 E937 | G906-G908 PolarHBondContact O-N 3.35Å; G906-G908 VanDerWaalsContact O-N 3.1Å; G906-E936 WeakPolarHBondContact O-CA 3.05Å; G906-E937 PolarHBondContact N-O 2.86Å; G906-E937 PolarHBondContact O-N 3.45Å |
| 907 | R | 67.8 | Low | 71.1 | Confident | 201 Ų | 201 | 75.2 Ų | 75.2 | 76% | 0.758 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 107.4 | -176.6 | -62 | -173.2 | -164.8 | 160.6 | 6.8 | 112 | C935 E936 | R907-C935 CarbonylContact C-O 3.59Å; R907-C935 WeakPolarHBondContact CA-O 3.4Å; R907-E936 HydrophobicContact CG-CB 4.35Å; R907-E936 HydrophobicContact CG-CG 3.84Å; R907-E936 WeakPolarHBondContact CG-OE1 3.48Å; R907-E936 IonicContact CZ-OE1 3.16Å; R907-E936 IonicContact NE-OE1 4Å; R907-E936 PolarHBondContact NE-OE1 3.19Å; R907-E936 IonicContact NE-OE2 3.72Å; R907-E936 IonicContact NH2-OE1 2.66Å |
| 908 | G | 68.1 | Low | 69.9 | Low | 4 Ų | 4 | 69.5 Ų | 69.5 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -174.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C901 S902 G906 C935 | C901-G908 VanDerWaalsContact SG-CA 3.57Å; S902-G908 WeakPolarHBondContact OG-CA 3.18Å; G906-G908 PolarHBondContact O-N 3.35Å; G906-G908 VanDerWaalsContact O-N 3.1Å; G908-C935 CarbonylContact C-O 3.58Å; G908-C935 VanDerWaalsContact C-SG 3.54Å; G908-C935 PolarHBondContact N-O 3.41Å; G908-C935 PolarHBondContact O-N 3.18Å |
| 909 | V | 76.8 | Confident | 68.4 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.6 | 170 | -175.5 | 0 | 0 | 0 | 0 | 106.3 | S902 T911 Q932 E933 C935 | S902-V909 WeakPolarHBondContact CB-O 3.46Å; S902-V909 PolarHBondContact N-O 2.98Å; S902-V909 PolarHBondContact OG-N 3.45Å; S902-V909 PolarHBondContact OG-O 2.96Å; V909-T911 HydrophobicContact CG1-CG2 4.43Å; V909-Q932 HydrophobicContact CG1-CB 3.76Å; V909-E933 WeakPolarHBondContact CA-O 3.1Å; V909-E933 WeakPolarHBondContact CG1-O 3.49Å; V909-C935 VanDerWaalsContact C-SG 3.53Å |
| 910 | R | 72.9 | Confident | 67.5 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.4 | 168.9 | 60.3 | -173 | -172 | -166.6 | 0.8 | 108.6 | W898 T899 Q932 E933 C935 | W898-R910 HydrophobicContact CB-CG 4.28Å; W898-R910 HydrophobicContact CD2-CG 4.25Å; W898-R910 HydrophobicContact CE3-CG 4.1Å; W898-R910 HydrophobicContact CG-CG 4.37Å; W898-R910 VanDerWaalsContact CZ3-O 3.31Å; W898-R910 WeakPolarHBondContact CZ3-O 3.02Å; T899-R910 WeakPolarHBondContact O-CB 3.17Å; R910-Q932 WeakPolarHBondContact O-CA 3.41Å; R910-E933 HydrophobicContact CG-CG 3.68Å; R910-E933 IonicContact CZ-OE1 3.09Å; R910-E933 PolarHBondContact N-O 3.34Å; R910-E933 IonicContact NE-OE1 2.71Å; R910-E933 PolarHBondContact NE-OE1 3.11Å; R910-E933 IonicContact NH2-OE1 3.72Å; R910-E933 PolarHBondContact NH2-OE1 3.08Å; R910-E933 PolarHBondContact O-N 3.02Å; R910-C935 HydrophobicContact CG-CB 4.29Å; R910-C935 PolarHBondContact N-SG 3.33Å |
| 911 | T | 77.7 | Confident | 66.8 | Low | 53 Ų | 53 | 70 Ų | 70 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151 | -171.9 | 68.2 | 0 | 0 | 0 | 0 | 109 | W898 T899 V909 Q931 Q932 | W898-T911 VanDerWaalsContact CE3-C 3.46Å; T899-T911 WeakPolarHBondContact CG2-O 3.46Å; T899-T911 PolarHBondContact N-O 3.06Å; T899-T911 PolarHBondContact OG1-N 2.83Å; T899-T911 PolarHBondContact OG1-O 2.84Å; T899-T911 PolarHBondContact OG1-OG1 2.67Å; V909-T911 HydrophobicContact CG1-CG2 4.43Å; T911-Q931 WeakPolarHBondContact CA-O 3.32Å; T911-Q932 HydrophobicContact CG2-CG 3.87Å |
| 912 | R | 75.2 | Confident | 66.1 | Low | 54 Ų | 54 | 71.8 Ų | 71.8 | 20% | 0.204 | 41% | 0.409 | C | S | . | . | trans | -133.8 | 153.2 | 170.4 | 64.7 | -175 | 171 | -177.4 | -9.9 | 109.1 | S896 D897 W898 V914 S930 Q931 | S896-R912 WeakPolarHBondContact O-CB 3.5Å; S896-R912 WeakPolarHBondContact O-CD 3.22Å; D897-R912 WeakPolarHBondContact O-CB 3.44Å; W898-R912 HydrophobicContact CD2-CB 4.1Å; W898-R912 HydrophobicContact CD2-CG 4.1Å; W898-R912 HydrophobicContact CE3-CB 3.66Å; W898-R912 HydrophobicContact CE3-CG 3.66Å; W898-R912 HydrophobicContact CH2-CG 3.9Å; W898-R912 HydrophobicContact CZ2-CG 4.31Å; W898-R912 VanDerWaalsContact CZ2-NE 3.28Å; W898-R912 HydrophobicContact CZ3-CB 4.03Å; W898-R912 HydrophobicContact CZ3-CG 3.55Å; R912-V914 HydrophobicContact CG-CG2 3.99Å; R912-V914 PolarHBondContact O-N 3.31Å; R912-S930 VanDerWaalsContact CZ-O 3.3Å; R912-S930 PolarHBondContact NE-O 3.03Å; R912-S930 PolarHBondContact NH2-O 3.46Å; R912-S930 PolarHBondContact NH2-OG 3.26Å; R912-Q931 PolarHBondContact N-O 3.21Å; R912-Q931 WeakPolarHBondContact O-CG 3.22Å | ||
| 913 | T | 74.3 | Confident | 65.7 | Low | 75 Ų | 75 | 68 Ų | 68 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | trans | -83.4 | 118.9 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | A895 S896 | A895-T913 WeakPolarHBondContact CA-O 3.05Å; S896-T913 WeakPolarHBondContact CB-OG1 3.26Å; S896-T913 PolarHBondContact N-O 3.08Å; S896-T913 PolarHBondContact OG-N 2.75Å; S896-T913 PolarHBondContact OG-OG1 2.87Å | ||
| 914 | V | 77.8 | Confident | 66.2 | Low | 10 Ų | 10 | 72.9 Ų | 72.9 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.3 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | W893 E894 A895 R912 K928 P929 Q931 | W893-V914 HydrophobicContact CE3-CG1 3.9Å; W893-V914 HydrophobicContact CZ3-CG1 4.49Å; E894-V914 WeakPolarHBondContact O-CA 3.38Å; A895-V914 HydrophobicContact CB-CG2 3.91Å; R912-V914 HydrophobicContact CG-CG2 3.99Å; R912-V914 PolarHBondContact O-N 3.31Å; V914-K928 HydrophobicContact CG1-CG 3.87Å; V914-P929 HydrophobicContact CG1-CB 4.22Å; V914-P929 HydrophobicContact CG1-CG 4.21Å; V914-P929 HydrophobicContact CG2-CB 4.2Å; V914-Q931 HydrophobicContact CB-CG 4.11Å; V914-Q931 HydrophobicContact CG2-CB 4.19Å; V914-Q931 HydrophobicContact CG2-CG 3.96Å |
| 915 | R | 70.1 | Confident | 66.5 | Low | 140 Ų | 140 | 74.2 Ų | 74.2 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.1 | -170 | 34.2 | -176.2 | 164 | 113.4 | -4.1 | 110.2 | E894 | E894-R915 PolarHBondContact N-O 3.06Å; E894-R915 PolarHBondContact O-N 3.12Å |
| 916 | C | 67.9 | Low | 66.8 | Low | 32 Ų | 32 | 81 Ų | 81 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.4 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 108.9 | W893 S918 C923 | W893-C916 HydrophobicContact CE3-CB 4.01Å; W893-C916 HydrophobicContact CH2-CB 4.23Å; W893-C916 HydrophobicContact CZ3-CB 3.82Å; C916-S918 PolarHBondContact O-N 3.41Å; C916-C923 WeakPolarHBondContact CA-SG 3.49Å; C916-C923 HydrophobicContact CB-CB 3.63Å; C916-C923 WeakPolarHBondContact CB-SG 3.22Å; C916-C923 WeakPolarHBondContact SG-CB 3.32Å; C916-C923 PolarHBondContact SG-N 2.92Å; C916-C923 VanDerWaalsContact SG-N 3.39Å; C916-C923 CovalentContact SG-SG 2.03Å; C916-C923 PolarHBondContact SG-SG 2.91Å |
| 917 | R | 62.3 | Low | 66.9 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -82.6 | 57.6 | 177.8 | -163.5 | -171.3 | -78.4 | -178.2 | -9.2 | 111.2 | A892 E894 | A892-R917 WeakPolarHBondContact O-CB 3.41Å; A892-R917 PolarHBondContact O-N 2.87Å; E894-R917 IonicContact OE1-CZ 2.79Å; E894-R917 IonicContact OE1-NH2 2.66Å; E894-R917 PolarHBondContact OE1-NH2 2.74Å; E894-R917 IonicContact OE2-CZ 2.95Å; E894-R917 VanDerWaalsContact OE2-CZ 3.32Å; E894-R917 IonicContact OE2-NE 3.61Å; E894-R917 PolarHBondContact OE2-NE 2.95Å; E894-R917 IonicContact OE2-NH2 2.71Å; E894-R917 PolarHBondContact OE2-NH2 3.35Å |
| 918 | S | 55.5 | Low | 67.3 | Low | 28 Ų | 28 | 78.1 Ų | 78.1 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -152.8 | 136.1 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | C916 D920 G921 | C916-S918 PolarHBondContact O-N 3.41Å; S918-D920 VanDerWaalsContact C-N 3.26Å; S918-D920 PolarHBondContact O-N 3.39Å; S918-G921 PolarHBondContact O-N 3.47Å |
| 919 | P | 50.3 | Low | 67.6 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 80% | 0.799 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.9 | 179.5 | -23.7 | 34.6 | 0 | 0 | 0 | 113.9 | ||
| 920 | D | 58.2 | Low | 67.5 | Low | 155 Ų | 155 | 80.5 Ų | 80.5 | 83% | 0.829 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 10 | -172.2 | -53.3 | -59.3 | 0 | 0 | 0 | 113.6 | S918 G922 | S918-D920 VanDerWaalsContact C-N 3.26Å; S918-D920 PolarHBondContact O-N 3.39Å; D920-G922 PolarHBondContact O-N 2.03Å |
| 921 | G | 58.1 | Low | 67.7 | Low | 54 Ų | 54 | 79.7 Ų | 79.7 | 56% | 0.557 | 45% | 0.452 | S | S | * | . | trans | 78.7 | 16.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117 | S918 C923 | S918-G921 PolarHBondContact O-N 3.47Å; G921-C923 VanDerWaalsContact C-N 3.27Å; G921-C923 PolarHBondContact O-N 2.94Å | ||
| 922 | G | 61.7 | Low | 67.8 | Low | 55 Ų | 55 | 83.2 Ų | 83.2 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | trans | -75.9 | 34.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 118 | D920 | D920-G922 PolarHBondContact O-N 2.03Š| ||
| 923 | C | 64.3 | Low | 67.9 | Low | 14 Ų | 14 | 83.1 Ų | 83.1 | 10% | 0.095 | 47% | 0.467 | C | S | . | . | trans | -98.9 | 132.7 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 112 | A892 W893 C916 G921 | A892-C923 VanDerWaalsContact C-SG 3.56Å; W893-C923 HydrophobicContact CD2-CB 3.73Å; W893-C923 HydrophobicContact CE3-CB 4.36Å; W893-C923 HydrophobicContact CG-CB 4.07Å; W893-C923 HydrophobicContact CH2-CB 4.32Å; W893-C923 HydrophobicContact CZ2-CB 3.7Å; W893-C923 WeakPolarHBondContact CZ2-O 3.17Å; C916-C923 WeakPolarHBondContact CA-SG 3.49Å; C916-C923 HydrophobicContact CB-CB 3.63Å; C916-C923 WeakPolarHBondContact CB-SG 3.22Å; C916-C923 WeakPolarHBondContact SG-CB 3.32Å; C916-C923 PolarHBondContact SG-N 2.92Å; C916-C923 VanDerWaalsContact SG-N 3.39Å; C916-C923 CovalentContact SG-SG 2.03Å; C916-C923 PolarHBondContact SG-SG 2.91Å; G921-C923 VanDerWaalsContact C-N 3.27Å; G921-C923 PolarHBondContact O-N 2.94Å | ||
| 924 | E | 68.8 | Low | 68.1 | Low | 144 Ų | 144 | 85 Ų | 85 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | trans | -68.6 | 120.5 | -168.8 | -166.4 | 158.5 | -136.1 | 0 | 0 | 112.8 | W893 D926 S927 | W893-E924 PolarHBondContact NE1-O 2.88Å; E924-D926 PolarHBondContact O-N 2.96Å; E924-S927 PolarHBondContact O-N 3.03Å; E924-S927 PolarHBondContact O-OG 3.42Å | ||
| 925 | P | 66.9 | Low | 67.7 | Low | 101 Ų | 101 | 85.3 Ų | 85.3 | 66% | 0.656 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -58.5 | -38.8 | -166.6 | -28.6 | 35.6 | 0 | 0 | 0 | 115.8 | S927 K928 | P925-S927 PolarHBondContact O-N 3.41Å; P925-K928 WeakPolarHBondContact O-CB 3.32Å; P925-K928 PolarHBondContact O-N 3.47Å |
| 926 | D | 65.6 | Low | 67.4 | Low | 164 Ų | 164 | 84.2 Ų | 84.2 | 88% | 0.877 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -69.4 | -21.1 | -175.9 | -62.6 | -31.9 | 0 | 0 | 0 | 112.9 | E924 K928 | E924-D926 PolarHBondContact O-N 2.96Å; D926-K928 VanDerWaalsContact C-N 3.34Å |
| 927 | S | 65.1 | Low | 66.9 | Low | 71 Ų | 71 | 87.4 Ų | 87.4 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -86.3 | -1.6 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | W893 E924 P925 P929 | W893-S927 PolarHBondContact NE1-OG 2.76Å; E924-S927 PolarHBondContact O-N 3.03Å; E924-S927 PolarHBondContact O-OG 3.42Å; P925-S927 PolarHBondContact O-N 3.41Å; S927-P929 VanDerWaalsContact O-CD 3.24Å; S927-P929 WeakPolarHBondContact O-CD 3.39Å |
| 928 | K | 76.3 | Confident | 66.5 | Low | 88 Ų | 88 | 86.1 Ų | 86.1 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 119.3 | -175.3 | -173.9 | -179 | 175.6 | -174 | 0 | 111.3 | W893 V914 P925 D926 | W893-K928 HydrophobicContact CD2-CB 4.15Å; W893-K928 HydrophobicContact CD2-CG 4.01Å; W893-K928 HydrophobicContact CE3-CD 4.48Å; W893-K928 HydrophobicContact CE3-CG 4Å; W893-K928 HydrophobicContact CH2-CB 4.43Å; W893-K928 HydrophobicContact CH2-CD 3.77Å; W893-K928 HydrophobicContact CH2-CG 4.01Å; W893-K928 HydrophobicContact CZ2-CB 3.9Å; W893-K928 HydrophobicContact CZ2-CD 4.08Å; W893-K928 HydrophobicContact CZ2-CG 3.99Å; W893-K928 HydrophobicContact CZ3-CD 3.97Å; W893-K928 HydrophobicContact CZ3-CG 4Å; V914-K928 HydrophobicContact CG1-CG 3.87Å; P925-K928 WeakPolarHBondContact O-CB 3.32Å; P925-K928 PolarHBondContact O-N 3.47Å; D926-K928 VanDerWaalsContact C-N 3.34Å |
| 929 | P | 73.6 | Confident | 66.5 | Low | 40 Ų | 40 | 90.7 Ų | 90.7 | 26% | 0.26 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 145.8 | 175 | -26 | 34.7 | 0 | 0 | 0 | 113.2 | W893 A895 V914 S927 Q931 | W893-P929 HydrophobicContact CB-CG 4.4Å; A895-P929 HydrophobicContact CB-CB 4.14Å; A895-P929 HydrophobicContact CB-CG 4.25Å; V914-P929 HydrophobicContact CG1-CB 4.22Å; V914-P929 HydrophobicContact CG1-CG 4.21Å; V914-P929 HydrophobicContact CG2-CB 4.2Å; S927-P929 VanDerWaalsContact O-CD 3.24Å; S927-P929 WeakPolarHBondContact O-CD 3.39Å; P929-Q931 PolarHBondContact O-N 2.89Å |
| 930 | S | 75.1 | Confident | 66.8 | Low | 67 Ų | 67 | 91.2 Ų | 91.2 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 127 | 174.7 | 54.3 | 0 | 0 | 0 | 0 | 111 | W898 R912 | W898-S930 WeakPolarHBondContact CH2-O 3.19Å; R912-S930 VanDerWaalsContact CZ-O 3.3Å; R912-S930 PolarHBondContact NE-O 3.03Å; R912-S930 PolarHBondContact NH2-O 3.46Å; R912-S930 PolarHBondContact NH2-OG 3.26Å |
| 931 | Q | 77.3 | Confident | 67 | Low | 79 Ų | 79 | 84 Ų | 84 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -90.7 | -13.4 | -172.8 | -156.6 | 162.5 | -6.7 | 0 | 0 | 113.1 | T911 R912 V914 P929 | T911-Q931 WeakPolarHBondContact CA-O 3.32Å; R912-Q931 PolarHBondContact N-O 3.21Å; R912-Q931 WeakPolarHBondContact O-CG 3.22Å; V914-Q931 HydrophobicContact CB-CG 4.11Å; V914-Q931 HydrophobicContact CG2-CB 4.19Å; V914-Q931 HydrophobicContact CG2-CG 3.96Å; P929-Q931 PolarHBondContact O-N 2.89Å |
| 932 | Q | 80 | Confident | 67.5 | Low | 127 Ų | 127 | 83.4 Ų | 83.4 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.3 | -178.8 | -57.6 | -166.1 | 9.8 | 0 | 0 | 109.5 | V909 R910 T911 | V909-Q932 HydrophobicContact CG1-CB 3.76Å; R910-Q932 WeakPolarHBondContact O-CA 3.41Å; T911-Q932 HydrophobicContact CG2-CG 3.87Å |
| 933 | E | 78.1 | Confident | 67.8 | Low | 51 Ų | 51 | 83.5 Ų | 83.5 | 24% | 0.238 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.9 | 171.2 | 69.4 | -178.4 | -163.2 | 0 | 0 | 111.8 | W898 V909 R910 | W898-E933 HydrophobicContact CD2-CG 4.2Å; W898-E933 HydrophobicContact CE3-CG 4.16Å; W898-E933 HydrophobicContact CH2-CB 3.86Å; W898-E933 HydrophobicContact CH2-CG 3.62Å; W898-E933 HydrophobicContact CZ2-CB 4.15Å; W898-E933 HydrophobicContact CZ2-CG 3.62Å; W898-E933 WeakPolarHBondContact CZ2-OE2 3.19Å; W898-E933 HydrophobicContact CZ3-CB 4.36Å; W898-E933 HydrophobicContact CZ3-CG 3.9Å; W898-E933 PolarHBondContact NE1-OE1 3.02Å; V909-E933 WeakPolarHBondContact CA-O 3.1Å; V909-E933 WeakPolarHBondContact CG1-O 3.49Å; R910-E933 HydrophobicContact CG-CG 3.68Å; R910-E933 IonicContact CZ-OE1 3.09Å; R910-E933 PolarHBondContact N-O 3.34Å; R910-E933 IonicContact NE-OE1 2.71Å; R910-E933 PolarHBondContact NE-OE1 3.11Å; R910-E933 IonicContact NH2-OE1 3.72Å; R910-E933 PolarHBondContact NH2-OE1 3.08Å; R910-E933 PolarHBondContact O-N 3.02Å |
| 934 | P | 78.2 | Confident | 68.6 | Low | 114 Ų | 114 | 84.9 Ų | 84.9 | 74% | 0.74 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 140.8 | -179.9 | 29 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 935 | C | 67.9 | Low | 69 | Low | 17 Ų | 17 | 84.7 Ų | 84.7 | 12% | 0.115 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.9 | 175.4 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | C901 R907 G908 V909 R910 | C901-C935 WeakPolarHBondContact CA-SG 3.24Å; C901-C935 HydrophobicContact CB-CB 3.98Å; C901-C935 WeakPolarHBondContact CB-SG 3.34Å; C901-C935 WeakPolarHBondContact SG-CB 3.03Å; C901-C935 CovalentContact SG-SG 2.03Å; C901-C935 PolarHBondContact SG-SG 3.29Å; R907-C935 CarbonylContact C-O 3.59Å; R907-C935 WeakPolarHBondContact CA-O 3.4Å; G908-C935 CarbonylContact C-O 3.58Å; G908-C935 VanDerWaalsContact C-SG 3.54Å; G908-C935 PolarHBondContact N-O 3.41Å; G908-C935 PolarHBondContact O-N 3.18Å; V909-C935 VanDerWaalsContact C-SG 3.53Å; R910-C935 HydrophobicContact CG-CB 4.29Å; R910-C935 PolarHBondContact N-SG 3.33Å |
| 936 | E | 64.1 | Low | 69.7 | Low | 118 Ų | 118 | 85.5 Ų | 85.5 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 112.1 | -177.4 | -162 | 159.1 | -147.7 | 0 | 0 | 107.1 | G906 R907 | G906-E936 WeakPolarHBondContact O-CA 3.05Å; R907-E936 HydrophobicContact CG-CB 4.35Å; R907-E936 HydrophobicContact CG-CG 3.84Å; R907-E936 WeakPolarHBondContact CG-OE1 3.48Å; R907-E936 IonicContact CZ-OE1 3.16Å; R907-E936 IonicContact NE-OE1 4Å; R907-E936 PolarHBondContact NE-OE1 3.19Å; R907-E936 IonicContact NE-OE2 3.72Å; R907-E936 IonicContact NH2-OE1 2.66Å |
| 937 | E | 57.9 | Low | 70.4 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.5 | 179.8 | -74.8 | -163.5 | -149 | 0 | 0 | 110.9 | C905 G906 | C905-E937 CarbonylContact C-O 3.6Å; C905-E937 WeakPolarHBondContact CA-O 3.46Å; G906-E937 PolarHBondContact N-O 2.86Å; G906-E937 PolarHBondContact O-N 3.45Å |
| 938 | D | 54.3 | Low | 71.2 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 54% | 0.54 | 43% | 0.426 | S | S | . | . | trans | -112.9 | 5.4 | -167.9 | -87.5 | -35.2 | 0 | 0 | 0 | 114.4 | E940 | D938-E940 PolarHBondContact O-N 2.93Š| ||
| 939 | V | 55.2 | Low | 71.4 | Confident | 123 Ų | 123 | 82 Ų | 82 | 75% | 0.745 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -75.1 | -30.7 | -157.7 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 940 | E | 55.7 | Low | 71.7 | Confident | 134 Ų | 134 | 82.3 Ų | 82.3 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -131.6 | 19.3 | -175.8 | -67.2 | -154.9 | 167.1 | 0 | 0 | 116.5 | D938 F942 K970 | D938-E940 PolarHBondContact O-N 2.93Å; E940-F942 VanDerWaalsContact C-N 3.33Å; E940-F942 PolarHBondContact O-N 3.24Å; E940-K970 WeakPolarHBondContact O-CE 3.49Å; E940-K970 PolarHBondContact O-NZ 2.83Å |
| 941 | C | 63.5 | Low | 71.9 | Confident | 4 Ų | 4 | 88.5 Ų | 88.5 | 3% | 0.027 | 44% | 0.441 | C | S | . | . | trans | -60.4 | -30.1 | -177.3 | -76.2 | 0 | 0 | 0 | 0 | 116.4 | C905 H969 K970 | C905-C941 WeakPolarHBondContact CA-SG 3.46Å; C905-C941 HydrophobicContact CB-CB 4.04Å; C905-C941 WeakPolarHBondContact CB-SG 3.43Å; C905-C941 WeakPolarHBondContact SG-CA 3.46Å; C905-C941 WeakPolarHBondContact SG-CB 3.25Å; C905-C941 CovalentContact SG-SG 2.02Å; C905-C941 PolarHBondContact SG-SG 3.12Å; C941-H969 WeakPolarHBondContact O-CA 3.37Å; C941-K970 PolarHBondContact O-N 3Å | ||
| 942 | F | 68.8 | Low | 72.1 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 18% | 0.184 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.7 | -160.9 | -63.5 | -89.2 | 0 | 0 | 0 | 113 | E940 H969 N978 C979 | E940-F942 VanDerWaalsContact C-N 3.33Å; E940-F942 PolarHBondContact O-N 3.24Å; F942-H969 HydrophobicContact CD1-CB 3.9Å; F942-H969 HydrophobicContact CE1-CB 3.75Å; F942-N978 HydrophobicContact CD2-CB 3.61Å; F942-N978 HydrophobicContact CE2-CB 3.96Å; F942-N978 HydrophobicContact CG-CB 4.24Å; F942-C979 VanDerWaalsContact C-SG 3.52Å; F942-C979 VanDerWaalsContact CB-SG 3.57Å |
| 943 | E | 68.4 | Low | 72 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.3 | 179.2 | 64.9 | 175.6 | -166.2 | 0 | 0 | 113.2 | R945 M968 K970 C979 | E943-R945 PolarHBondContact O-N 2.82Å; E943-R945 IonicContact OE1-CZ 2.74Å; E943-R945 IonicContact OE1-NE 3.26Å; E943-R945 PolarHBondContact OE1-NE 2.9Å; E943-R945 IonicContact OE1-NH2 3.18Å; E943-R945 PolarHBondContact OE1-NH2 3.08Å; E943-M968 PolarHBondContact N-O 3.33Å; E943-M968 PolarHBondContact O-N 2.97Å; E943-K970 HydrophobicContact CB-CG 4.2Å; E943-K970 HydrophobicContact CG-CG 3.73Å; E943-C979 PolarHBondContact N-SG 3.46Å; E943-C979 VanDerWaalsContact N-SG 3.42Å; E943-C979 PolarHBondContact O-SG 2.93Å; E943-C979 VanDerWaalsContact O-SG 3.39Å |
| 944 | W | 79.8 | Confident | 71.5 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 16% | 0.163 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 110.5 | 178.2 | -69.9 | 110.3 | 0 | 0 | 0 | 111.5 | V965 C967 C979 P980 L981 R984 P985 | W944-V965 HydrophobicContact CE3-CG1 4.01Å; W944-C967 HydrophobicContact CD2-CB 4.34Å; W944-C967 HydrophobicContact CE3-CB 3.81Å; W944-C967 HydrophobicContact CH2-CB 3.91Å; W944-C967 HydrophobicContact CZ2-CB 4.43Å; W944-C967 HydrophobicContact CZ3-CB 3.59Å; W944-C979 HydrophobicContact CD2-CB 3.91Å; W944-C979 HydrophobicContact CG-CB 4.21Å; W944-C979 HydrophobicContact CH2-CB 4.42Å; W944-C979 HydrophobicContact CZ2-CB 3.67Å; W944-P980 PolarHBondContact NE1-O 2.92Å; W944-L981 HydrophobicContact CZ2-CD2 4.4Å; W944-R984 HydrophobicContact CD2-CB 4.22Å; W944-R984 HydrophobicContact CD2-CG 3.9Å; W944-R984 HydrophobicContact CE3-CG 4.03Å; W944-R984 HydrophobicContact CH2-CG 3.93Å; W944-R984 HydrophobicContact CZ2-CB 3.92Å; W944-R984 HydrophobicContact CZ2-CG 3.78Å; W944-R984 HydrophobicContact CZ3-CG 4.04Å; W944-P985 HydrophobicContact CB-CG 3.88Å |
| 945 | R | 77.4 | Confident | 71.4 | Confident | 139 Ų | 139 | 83.7 Ų | 83.7 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 146.7 | 170.4 | -68.9 | -76.8 | -179.3 | 150.4 | -1 | 110.2 | E943 V965 Q966 M968 | E943-R945 PolarHBondContact O-N 2.82Å; E943-R945 IonicContact OE1-CZ 2.74Å; E943-R945 IonicContact OE1-NE 3.26Å; E943-R945 PolarHBondContact OE1-NE 2.9Å; E943-R945 IonicContact OE1-NH2 3.18Å; E943-R945 PolarHBondContact OE1-NH2 3.08Å; R945-V965 WeakPolarHBondContact O-CA 3.42Å; R945-Q966 PolarHBondContact N-O 3.02Å; R945-Q966 PolarHBondContact O-N 3.5Å; R945-Q966 VanDerWaalsContact O-O 3.12Å; R945-M968 HydrophobicContact CB-CE 3.77Å; R945-M968 HydrophobicContact CG-CE 3.82Å |
| 946 | F | 81.6 | Confident | 71.5 | Confident | 118 Ų | 118 | 85 Ų | 85 | 52% | 0.518 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.7 | -180 | 58.5 | -98 | 0 | 0 | 0 | 112 | V964 V965 P985 | F946-V964 CarbonylContact C-O 3.24Å; F946-V964 VanDerWaalsContact CA-O 3.28Å; F946-V964 WeakPolarHBondContact CA-O 3.36Å; F946-V965 HydrophobicContact CB-CB 4.43Å; F946-V965 HydrophobicContact CB-CG1 4.35Å; F946-V965 HydrophobicContact CB-CG2 3.91Å; F946-P985 HydrophobicContact CD1-CB 3.98Å; F946-P985 HydrophobicContact CD1-CG 3.82Å; F946-P985 HydrophobicContact CE1-CG 4.32Å |
| 947 | G | 79.4 | Confident | 71.9 | Confident | 35 Ų | 35 | 80 Ų | 80 | 36% | 0.361 | 42% | 0.421 | S | S | . | . | trans | -92.9 | -176 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R963 V964 | G947-R963 WeakPolarHBondContact O-CB 3.4Å; G947-R963 WeakPolarHBondContact O-CD 3.34Å; G947-V964 PolarHBondContact N-O 3.47Å | ||
| 948 | D | 81.9 | Confident | 72.6 | Confident | 154 Ų | 154 | 83.9 Ų | 83.9 | 82% | 0.824 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -69 | 161.2 | 177.9 | -70.9 | -50.2 | 0 | 0 | 0 | 113.9 | R963 | D948-R963 WeakPolarHBondContact O-CB 3.3Š|
| 949 | W | 81.8 | Confident | 73.7 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 129.1 | 177.8 | -66.3 | 102.3 | 0 | 0 | 0 | 111.9 | Q961 R963 I987 R989 | W949-Q961 HydrophobicContact CB-CB 4.24Å; W949-Q961 HydrophobicContact CE3-CB 3.99Å; W949-R963 HydrophobicContact CD2-CB 4.14Å; W949-R963 HydrophobicContact CD2-CG 4.17Å; W949-R963 HydrophobicContact CE3-CB 3.84Å; W949-R963 HydrophobicContact CE3-CG 3.85Å; W949-R963 HydrophobicContact CH2-CG 3.85Å; W949-R963 HydrophobicContact CZ2-CG 4.15Å; W949-R963 HydrophobicContact CZ3-CB 4.15Å; W949-R963 HydrophobicContact CZ3-CG 3.67Å; W949-I987 WeakPolarHBondContact CZ3-O 3.09Å; W949-R989 VanDerWaalsContact CD1-CZ 3.44Å; W949-R989 HydrophobicContact CD2-CG 3.95Å; W949-R989 HydrophobicContact CE3-CG 3.79Å; W949-R989 HydrophobicContact CH2-CB 3.81Å; W949-R989 HydrophobicContact CH2-CG 3.91Å; W949-R989 HydrophobicContact CZ2-CB 4.18Å; W949-R989 HydrophobicContact CZ2-CG 4.06Å; W949-R989 HydrophobicContact CZ3-CB 4.01Å; W949-R989 HydrophobicContact CZ3-CG 3.78Å |
| 950 | S | 80.4 | Confident | 74.7 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 162.4 | 174.2 | 65 | 0 | 0 | 0 | 0 | 112.5 | Q961 S962 | S950-Q961 WeakPolarHBondContact O-CG 2.89Å; S950-Q961 PolarHBondContact O-NE2 2.87Å; S950-S962 VanDerWaalsContact CB-O 3.32Å; S950-S962 WeakPolarHBondContact CB-O 3.37Å; S950-S962 PolarHBondContact N-O 2.71Å; S950-S962 PolarHBondContact OG-N 3.32Å; S950-S962 PolarHBondContact OG-O 3.24Å; S950-S962 PolarHBondContact OG-OG 2.72Å |
| 951 | K | 78.9 | Confident | 75.7 | Confident | 198 Ų | 198 | 72.8 Ų | 72.8 | 86% | 0.861 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 144.5 | 175.3 | -64.8 | -177.4 | -178.4 | 177.9 | 0 | 110.1 | S953 | K951-S953 PolarHBondContact O-N 3.15Š|
| 952 | C | 81.6 | Confident | 76.4 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 128.9 | -178.6 | -168.6 | 0 | 0 | 0 | 0 | 111 | S954 Q961 C991 | C952-S954 PolarHBondContact O-N 3.37Å; C952-S954 VanDerWaalsContact O-N 3.14Å; C952-Q961 HydrophobicContact CB-CG 4.4Å; C952-C991 WeakPolarHBondContact CA-SG 3.43Å; C952-C991 HydrophobicContact CB-CB 3.87Å; C952-C991 WeakPolarHBondContact CB-SG 3.35Å; C952-C991 WeakPolarHBondContact SG-CB 3.07Å; C952-C991 CovalentContact SG-SG 2.03Å; C952-C991 PolarHBondContact SG-SG 3.33Å |
| 953 | S | 77.7 | Confident | 76.9 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -62.4 | -20.6 | -175.5 | 68.7 | 0 | 0 | 0 | 0 | 114.5 | K951 L960 | K951-S953 PolarHBondContact O-N 3.15Å; S953-L960 WeakPolarHBondContact CB-O 3.28Å; S953-L960 PolarHBondContact N-O 2.98Å; S953-L960 PolarHBondContact OG-N 3.35Å; S953-L960 PolarHBondContact OG-O 2.9Å |
| 954 | S | 67.9 | Low | 77.2 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | trans | -111 | 133 | -179.4 | -50.7 | 0 | 0 | 0 | 0 | 109.7 | C952 C956 K958 G959 | C952-S954 PolarHBondContact O-N 3.37Å; C952-S954 VanDerWaalsContact O-N 3.14Å; S954-C956 VanDerWaalsContact C-N 3.34Å; S954-C956 WeakPolarHBondContact CB-O 3.45Å; S954-K958 WeakPolarHBondContact CB-O 3.01Å; S954-K958 PolarHBondContact OG-O 2.77Å; S954-G959 WeakPolarHBondContact OG-CA 3.44Å | ||
| 955 | T | 74.8 | Confident | 77.3 | Confident | 122 Ų | 122 | 74.7 Ų | 74.7 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -72 | -29.7 | 177.2 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | R993 | T955-R993 VanDerWaalsContact O-CD 3.3Å; T955-R993 WeakPolarHBondContact O-CD 3.16Å |
| 956 | C | 71.5 | Confident | 77.3 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -138.8 | 160.6 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | S954 E994 C996 | S954-C956 VanDerWaalsContact C-N 3.34Å; S954-C956 WeakPolarHBondContact CB-O 3.45Å; C956-E994 CarbonylContact C-O 3.54Å; C956-E994 WeakPolarHBondContact CA-O 3.44Å; C956-E994 VanDerWaalsContact CB-O 3.25Å; C956-E994 WeakPolarHBondContact CB-O 3.15Å; C956-C996 HydrophobicContact CB-CB 4.02Å; C956-C996 WeakPolarHBondContact CB-SG 3.33Å; C956-C996 PolarHBondContact O-SG 3.48Å; C956-C996 VanDerWaalsContact O-SG 3.42Å; C956-C996 WeakPolarHBondContact SG-CB 3.44Å; C956-C996 CovalentContact SG-SG 2.04Å; C956-C996 PolarHBondContact SG-SG 2.83Å |
| 957 | G | 71.3 | Confident | 77.1 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 12% | 0.124 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.6 | -155.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R993 E994 | G957-R993 CarbonylContact C-O 3.6Å; G957-R993 VanDerWaalsContact CA-O 3.28Å; G957-R993 WeakPolarHBondContact CA-O 3.38Å; G957-R993 PolarHBondContact N-O 3.27Å; G957-R993 PolarHBondContact O-N 3.1Å; G957-E994 PolarHBondContact N-O 3.43Å |
| 958 | K | 73.3 | Confident | 76.7 | Confident | 180 Ų | 180 | 67.5 Ų | 67.5 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 134 | 178.7 | -70.2 | 179.6 | 180 | -179.7 | 0 | 110.5 | S954 Y992 | S954-K958 WeakPolarHBondContact CB-O 3.01Å; S954-K958 PolarHBondContact OG-O 2.77Å; K958-Y992 HydrophobicContact CB-CD2 4.44Å; K958-Y992 HydrophobicContact CG-CD2 3.63Å; K958-Y992 HydrophobicContact CG-CE2 4.02Å |
| 959 | G | 76.4 | Confident | 76.2 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | -174.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S954 C991 | S954-G959 WeakPolarHBondContact OG-CA 3.44Å; G959-C991 PolarHBondContact N-O 3.24Å; G959-C991 PolarHBondContact O-N 3.35Å; G959-C991 VanDerWaalsContact O-O 3.11Å; G959-C991 PolarHBondContact O-SG 3.42Å; G959-C991 VanDerWaalsContact O-SG 3.39Å |
| 960 | L | 75.8 | Confident | 75.5 | Confident | 82 Ų | 82 | 63.2 Ų | 63.2 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140 | 179.2 | -155.5 | 72.2 | 0 | 0 | 0 | 110.2 | S953 Y988 C991 | S953-L960 WeakPolarHBondContact CB-O 3.28Å; S953-L960 PolarHBondContact N-O 2.98Å; S953-L960 PolarHBondContact OG-N 3.35Å; S953-L960 PolarHBondContact OG-O 2.9Å; L960-Y988 HydrophobicContact CD2-CD1 3.57Å; L960-Y988 HydrophobicContact CD2-CE1 4.26Å; L960-Y988 HydrophobicContact CD2-CG 4.07Å; L960-Y988 HydrophobicContact CG-CD1 4.22Å; L960-C991 VanDerWaalsContact C-SG 3.53Å; L960-C991 PolarHBondContact N-SG 2.96Å; L960-C991 VanDerWaalsContact N-SG 3.41Å |
| 961 | Q | 78.4 | Confident | 74.5 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.7 | 161.8 | -62.3 | -176.2 | -69.4 | 0 | 0 | 108.6 | W949 S950 C952 Y988 R989 C991 | W949-Q961 HydrophobicContact CB-CB 4.24Å; W949-Q961 HydrophobicContact CE3-CB 3.99Å; S950-Q961 WeakPolarHBondContact O-CG 2.89Å; S950-Q961 PolarHBondContact O-NE2 2.87Å; C952-Q961 HydrophobicContact CB-CG 4.4Å; Q961-Y988 WeakPolarHBondContact O-CA 3.37Å; Q961-R989 HydrophobicContact CB-CG 4.11Å; Q961-R989 PolarHBondContact N-O 2.04Å; Q961-R989 PolarHBondContact O-N 3.4Å; Q961-R989 VanDerWaalsContact OE1-CZ 3.3Å; Q961-C991 HydrophobicContact CG-CB 3.82Å |
| 962 | S | 77 | Confident | 73.9 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.6 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 110 | S950 I987 | S950-S962 VanDerWaalsContact CB-O 3.32Å; S950-S962 WeakPolarHBondContact CB-O 3.37Å; S950-S962 PolarHBondContact N-O 2.71Å; S950-S962 PolarHBondContact OG-N 3.32Å; S950-S962 PolarHBondContact OG-O 3.24Å; S950-S962 PolarHBondContact OG-OG 2.72Å; S962-I987 CarbonylContact C-O 3.49Å; S962-I987 WeakPolarHBondContact CA-O 3.25Å |
| 963 | R | 80 | Confident | 72.9 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | trans | -135.5 | 153.8 | 168.7 | 65.6 | 177.6 | 173.3 | 175.1 | 0.8 | 110.5 | G947 D948 W949 V965 P986 I987 | G947-R963 WeakPolarHBondContact O-CB 3.4Å; G947-R963 WeakPolarHBondContact O-CD 3.34Å; D948-R963 WeakPolarHBondContact O-CB 3.3Å; W949-R963 HydrophobicContact CD2-CB 4.14Å; W949-R963 HydrophobicContact CD2-CG 4.17Å; W949-R963 HydrophobicContact CE3-CB 3.84Å; W949-R963 HydrophobicContact CE3-CG 3.85Å; W949-R963 HydrophobicContact CH2-CG 3.85Å; W949-R963 HydrophobicContact CZ2-CG 4.15Å; W949-R963 HydrophobicContact CZ3-CB 4.15Å; W949-R963 HydrophobicContact CZ3-CG 3.67Å; R963-V965 HydrophobicContact CG-CG2 4Å; R963-P986 VanDerWaalsContact CZ-O 3.32Å; R963-P986 PolarHBondContact NE-O 3.26Å; R963-P986 PolarHBondContact NH2-O 2.68Å; R963-I987 PolarHBondContact N-O 3.35Å; R963-I987 WeakPolarHBondContact O-CG2 3.3Å | ||
| 964 | V | 74.8 | Confident | 72.3 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | trans | -75.3 | 129.9 | 173.2 | -179 | 0 | 0 | 0 | 0 | 108.6 | F946 G947 Q966 | F946-V964 CarbonylContact C-O 3.24Å; F946-V964 VanDerWaalsContact CA-O 3.28Å; F946-V964 WeakPolarHBondContact CA-O 3.36Å; G947-V964 PolarHBondContact N-O 3.47Å; V964-Q966 HydrophobicContact CG1-CG 3.85Å | ||
| 965 | V | 81.1 | Confident | 71.9 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116.6 | 174.5 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | W944 R945 F946 R963 P985 I987 | W944-V965 HydrophobicContact CE3-CG1 4.01Å; R945-V965 WeakPolarHBondContact O-CA 3.42Å; F946-V965 HydrophobicContact CB-CB 4.43Å; F946-V965 HydrophobicContact CB-CG1 4.35Å; F946-V965 HydrophobicContact CB-CG2 3.91Å; R963-V965 HydrophobicContact CG-CG2 4Å; V965-P985 HydrophobicContact CG1-CB 4.17Å; V965-P985 HydrophobicContact CG1-CG 4.21Å; V965-I987 HydrophobicContact CB-CG1 4.03Å; V965-I987 HydrophobicContact CG2-CB 4.5Å; V965-I987 HydrophobicContact CG2-CG1 3.83Å |
| 966 | Q | 77.4 | Confident | 71.3 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.1 | -174.5 | -73.9 | 170.3 | -47.4 | 0 | 0 | 109.6 | R945 V964 M968 H975 | R945-Q966 PolarHBondContact N-O 3.02Å; R945-Q966 PolarHBondContact O-N 3.5Å; R945-Q966 VanDerWaalsContact O-O 3.12Å; V964-Q966 HydrophobicContact CG1-CG 3.85Å; Q966-M968 HydrophobicContact CB-CG 4.17Å; Q966-H975 PolarHBondContact NE2-CE1 3.22Å; Q966-H975 PolarHBondContact NE2-NE2 3.07Å; Q966-H975 PolarHBondContact OE1-CE1 3.16Å |
| 967 | C | 77.8 | Confident | 70.9 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.054 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123 | 167.9 | 173.8 | 0 | 0 | 0 | 0 | 107.5 | W944 G976 C979 | W944-C967 HydrophobicContact CD2-CB 4.34Å; W944-C967 HydrophobicContact CE3-CB 3.81Å; W944-C967 HydrophobicContact CH2-CB 3.91Å; W944-C967 HydrophobicContact CZ2-CB 4.43Å; W944-C967 HydrophobicContact CZ3-CB 3.59Å; C967-G976 WeakPolarHBondContact CB-O 3.48Å; C967-G976 PolarHBondContact O-N 3.35Å; C967-G976 PolarHBondContact SG-O 2.9Å; C967-C979 WeakPolarHBondContact CA-SG 3.48Å; C967-C979 HydrophobicContact CB-CB 3.76Å; C967-C979 WeakPolarHBondContact CB-SG 3.4Å; C967-C979 WeakPolarHBondContact SG-CB 3.44Å; C967-C979 PolarHBondContact SG-N 3.16Å; C967-C979 CovalentContact SG-SG 2.02Å; C967-C979 PolarHBondContact SG-SG 2.58Å |
| 968 | M | 70.1 | Confident | 70.4 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.1 | -178 | -56.3 | -152 | -58.4 | 0 | 0 | 109.9 | E943 R945 Q966 K970 R974 | E943-M968 PolarHBondContact N-O 3.33Å; E943-M968 PolarHBondContact O-N 2.97Å; R945-M968 HydrophobicContact CB-CE 3.77Å; R945-M968 HydrophobicContact CG-CE 3.82Å; Q966-M968 HydrophobicContact CB-CG 4.17Å; M968-K970 PolarHBondContact O-N 3.44Å; M968-R974 WeakPolarHBondContact CA-O 3.38Å |
| 969 | H | 72.5 | Confident | 70.3 | Confident | 32 Ų | 32 | 68 Ų | 68 | 15% | 0.148 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131 | 172 | -172.1 | -53.1 | 0 | 0 | 0 | 109.6 | C905 C941 F942 D971 T972 G973 R974 | C905-H969 PolarHBondContact SG-CE1 2.88Å; C905-H969 PolarHBondContact SG-NE2 3.01Å; C941-H969 WeakPolarHBondContact O-CA 3.37Å; F942-H969 HydrophobicContact CD1-CB 3.9Å; F942-H969 HydrophobicContact CE1-CB 3.75Å; H969-D971 IonicContact CE1-OD2 3.18Å; H969-D971 PolarHBondContact ND1-N 3.39Å; H969-D971 IonicContact ND1-OD2 2.74Å; H969-D971 PolarHBondContact O-N 2.83Å; H969-T972 VanDerWaalsContact CB-OG1 3.27Å; H969-T972 WeakPolarHBondContact CB-OG1 3.49Å; H969-T972 PolarHBondContact CD2-OG1 3.14Å; H969-T972 PolarHBondContact ND1-N 3.2Å; H969-G973 PolarHBondContact O-N 3.02Å; H969-R974 PolarHBondContact N-O 3.3Å |
| 970 | K | 66.1 | Low | 69.8 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -53.3 | -174.9 | -76.1 | 172.5 | 178.2 | 161.3 | 0 | 112.6 | E940 C941 E943 M968 | E940-K970 WeakPolarHBondContact O-CE 3.49Å; E940-K970 PolarHBondContact O-NZ 2.83Å; C941-K970 PolarHBondContact O-N 3Å; E943-K970 HydrophobicContact CB-CG 4.2Å; E943-K970 HydrophobicContact CG-CG 3.73Å; M968-K970 PolarHBondContact O-N 3.44Å |
| 971 | D | 60.5 | Low | 69.2 | Low | 132 Ų | 132 | 73.4 Ų | 73.4 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -36.2 | -173.2 | -41 | -73 | 0 | 0 | 0 | 114.6 | H969 | H969-D971 IonicContact CE1-OD2 3.18Å; H969-D971 PolarHBondContact ND1-N 3.39Å; H969-D971 IonicContact ND1-OD2 2.74Å; H969-D971 PolarHBondContact O-N 2.83Å |
| 972 | T | 66.9 | Low | 68.5 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.9 | -174.1 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | H969 R974 | H969-T972 VanDerWaalsContact CB-OG1 3.27Å; H969-T972 WeakPolarHBondContact CB-OG1 3.49Å; H969-T972 PolarHBondContact CD2-OG1 3.14Å; H969-T972 PolarHBondContact ND1-N 3.2Å; T972-R974 PolarHBondContact O-N 3.45Å |
| 973 | G | 59.5 | Low | 68.1 | Low | 44 Ų | 44 | 84.6 Ų | 84.6 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | trans | 63.2 | 5.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | H969 | H969-G973 PolarHBondContact O-N 3.02Š| ||
| 974 | R | 64.9 | Low | 68.1 | Low | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 46% | 0.459 | S | S | * | . | trans | -74.7 | 142.7 | -179 | -67.4 | -178.6 | 177.7 | -174.4 | 0.4 | 110.8 | M968 H969 T972 | M968-R974 WeakPolarHBondContact CA-O 3.38Å; H969-R974 PolarHBondContact N-O 3.3Å; T972-R974 PolarHBondContact O-N 3.45Å | ||
| 975 | H | 59.9 | Low | 68.4 | Low | 126 Ų | 126 | 85.4 Ų | 85.4 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -63.6 | 136.5 | 169.4 | -62 | -42.8 | 0 | 0 | 0 | 110.6 | Q966 | Q966-H975 PolarHBondContact NE2-CE1 3.22Å; Q966-H975 PolarHBondContact NE2-NE2 3.07Å; Q966-H975 PolarHBondContact OE1-CE1 3.16Å |
| 976 | G | 62.7 | Low | 68 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 19% | 0.186 | 46% | 0.461 | C | S | . | . | trans | -148.3 | 172 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | C967 | C967-G976 WeakPolarHBondContact CB-O 3.48Å; C967-G976 PolarHBondContact O-N 3.35Å; C967-G976 PolarHBondContact SG-O 2.9Å | ||
| 977 | D | 62.5 | Low | 68.1 | Low | 156 Ų | 156 | 87.3 Ų | 87.3 | 83% | 0.834 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -109.7 | -3.3 | -175.7 | -67.2 | -49.2 | 0 | 0 | 0 | 113.4 | C979 | D977-C979 VanDerWaalsContact C-N 3.32Å; D977-C979 PolarHBondContact O-N 2.86Å |
| 978 | N | 61.3 | Low | 68 | Low | 106 Ų | 106 | 94 Ų | 94 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | trans | -87.1 | 17 | -169.9 | -67.3 | 2.3 | 0 | 0 | 0 | 114.8 | F942 | F942-N978 HydrophobicContact CD2-CB 3.61Å; F942-N978 HydrophobicContact CE2-CB 3.96Å; F942-N978 HydrophobicContact CG-CB 4.24Å | ||
| 979 | C | 70.3 | Confident | 68.5 | Low | 5 Ų | 5 | 97.2 Ų | 97.2 | 3% | 0.034 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -75.4 | 139.4 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | F942 E943 W944 C967 D977 L981 | F942-C979 VanDerWaalsContact C-SG 3.52Å; F942-C979 VanDerWaalsContact CB-SG 3.57Å; E943-C979 PolarHBondContact N-SG 3.46Å; E943-C979 VanDerWaalsContact N-SG 3.42Å; E943-C979 PolarHBondContact O-SG 2.93Å; E943-C979 VanDerWaalsContact O-SG 3.39Å; W944-C979 HydrophobicContact CD2-CB 3.91Å; W944-C979 HydrophobicContact CG-CB 4.21Å; W944-C979 HydrophobicContact CH2-CB 4.42Å; W944-C979 HydrophobicContact CZ2-CB 3.67Å; C967-C979 WeakPolarHBondContact CA-SG 3.48Å; C967-C979 HydrophobicContact CB-CB 3.76Å; C967-C979 WeakPolarHBondContact CB-SG 3.4Å; C967-C979 WeakPolarHBondContact SG-CB 3.44Å; C967-C979 PolarHBondContact SG-N 3.16Å; C967-C979 CovalentContact SG-SG 2.02Å; C967-C979 PolarHBondContact SG-SG 2.58Å; D977-C979 VanDerWaalsContact C-N 3.32Å; D977-C979 PolarHBondContact O-N 2.86Å; C979-L981 PolarHBondContact O-N 2.87Å; C979-L981 VanDerWaalsContact O-N 3.1Å |
| 980 | P | 65.5 | Low | 68.6 | Low | 73 Ų | 73 | 100.7 Ų | 100.7 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | trans | -55.7 | 118 | 175.5 | -26.2 | 34.6 | 0 | 0 | 0 | 112.2 | W944 M982 L983 | W944-P980 PolarHBondContact NE1-O 2.92Å; P980-M982 PolarHBondContact O-N 3.04Å; P980-L983 HydrophobicContact CB-CD1 4.23Å; P980-L983 HydrophobicContact CB-CG 4.4Å; P980-L983 HydrophobicContact CG-CD1 4.49Å; P980-L983 PolarHBondContact O-N 3.29Å; P980-L983 VanDerWaalsContact O-N 3.1Å | ||
| 981 | L | 63.9 | Low | 69.3 | Low | 134 Ų | 134 | 97.1 Ų | 97.1 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.4 | -176.2 | -70.5 | 170 | 0 | 0 | 0 | 112.8 | W944 C979 L983 R984 | W944-L981 HydrophobicContact CZ2-CD2 4.4Å; C979-L981 PolarHBondContact O-N 2.87Å; C979-L981 VanDerWaalsContact O-N 3.1Å; L981-L983 PolarHBondContact O-N 2.83Å; L981-R984 WeakPolarHBondContact O-CB 3.3Å; L981-R984 PolarHBondContact O-N 3.42Å |
| 982 | M | 64.8 | Low | 70 | Confident | 187 Ų | 187 | 97.7 Ų | 97.7 | 92% | 0.921 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -65 | -19.8 | 178.4 | -58.2 | -60.5 | -79.3 | 0 | 0 | 113.4 | P980 | P980-M982 PolarHBondContact O-N 3.04Š|
| 983 | L | 68.4 | Low | 70 | Confident | 128 Ų | 128 | 101 Ų | 101 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -102.3 | 10.4 | -179.4 | -62.1 | 177.1 | 0 | 0 | 0 | 112.9 | P980 L981 P985 | P980-L983 HydrophobicContact CB-CD1 4.23Å; P980-L983 HydrophobicContact CB-CG 4.4Å; P980-L983 HydrophobicContact CG-CD1 4.49Å; P980-L983 PolarHBondContact O-N 3.29Å; P980-L983 VanDerWaalsContact O-N 3.1Å; L981-L983 PolarHBondContact O-N 2.83Å; L983-P985 VanDerWaalsContact O-CD 3.31Å; L983-P985 WeakPolarHBondContact O-CD 3.04Å |
| 984 | R | 79.9 | Confident | 70.4 | Confident | 119 Ų | 119 | 107 Ų | 107 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 121.8 | -173.5 | -171.7 | 175.3 | -172.5 | 171.2 | 7.6 | 112.6 | W944 L981 | W944-R984 HydrophobicContact CD2-CB 4.22Å; W944-R984 HydrophobicContact CD2-CG 3.9Å; W944-R984 HydrophobicContact CE3-CG 4.03Å; W944-R984 HydrophobicContact CH2-CG 3.93Å; W944-R984 HydrophobicContact CZ2-CB 3.92Å; W944-R984 HydrophobicContact CZ2-CG 3.78Å; W944-R984 HydrophobicContact CZ3-CG 4.04Å; L981-R984 WeakPolarHBondContact O-CB 3.3Å; L981-R984 PolarHBondContact O-N 3.42Å |
| 985 | P | 79.7 | Confident | 70.2 | Confident | 23 Ų | 23 | 101.1 Ų | 101.1 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 147.1 | 176.7 | -22.1 | 33.7 | 0 | 0 | 0 | 113.3 | W944 F946 V965 L983 | W944-P985 HydrophobicContact CB-CG 3.88Å; F946-P985 HydrophobicContact CD1-CB 3.98Å; F946-P985 HydrophobicContact CD1-CG 3.82Å; F946-P985 HydrophobicContact CE1-CG 4.32Å; V965-P985 HydrophobicContact CG1-CB 4.17Å; V965-P985 HydrophobicContact CG1-CG 4.21Å; L983-P985 VanDerWaalsContact O-CD 3.31Å; L983-P985 WeakPolarHBondContact O-CD 3.04Å |
| 986 | P | 74.4 | Confident | 70 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 137 | -179.7 | 24.7 | -33.7 | 0 | 0 | 0 | 112.3 | R963 | R963-P986 VanDerWaalsContact CZ-O 3.32Å; R963-P986 PolarHBondContact NE-O 3.26Å; R963-P986 PolarHBondContact NH2-O 2.68Å |
| 987 | I | 77.6 | Confident | 69.8 | Low | 53 Ų | 53 | 106.7 Ų | 106.7 | 27% | 0.272 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -87.1 | -25.7 | -176.8 | -60.9 | 174.8 | 0 | 0 | 0 | 112.1 | W949 S962 R963 V965 | W949-I987 WeakPolarHBondContact CZ3-O 3.09Å; S962-I987 CarbonylContact C-O 3.49Å; S962-I987 WeakPolarHBondContact CA-O 3.25Å; R963-I987 PolarHBondContact N-O 3.35Å; R963-I987 WeakPolarHBondContact O-CG2 3.3Å; V965-I987 HydrophobicContact CB-CG1 4.03Å; V965-I987 HydrophobicContact CG2-CB 4.5Å; V965-I987 HydrophobicContact CG2-CG1 3.83Å |
| 988 | Y | 77.3 | Confident | 69.5 | Low | 149 Ų | 149 | 107.1 Ų | 107.1 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145 | -177.3 | -58.8 | -76.7 | 0 | 0 | 0 | 110.9 | L960 Q961 | L960-Y988 HydrophobicContact CD2-CD1 3.57Å; L960-Y988 HydrophobicContact CD2-CE1 4.26Å; L960-Y988 HydrophobicContact CD2-CG 4.07Å; L960-Y988 HydrophobicContact CG-CD1 4.22Å; Q961-Y988 WeakPolarHBondContact O-CA 3.37Å |
| 989 | R | 79 | Confident | 68.5 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 44% | 0.442 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.7 | 166 | 74.1 | 176.5 | -173.5 | -173.3 | 1.6 | 110.6 | W949 Q961 | W949-R989 VanDerWaalsContact CD1-CZ 3.44Å; W949-R989 HydrophobicContact CD2-CG 3.95Å; W949-R989 HydrophobicContact CE3-CG 3.79Å; W949-R989 HydrophobicContact CH2-CB 3.81Å; W949-R989 HydrophobicContact CH2-CG 3.91Å; W949-R989 HydrophobicContact CZ2-CB 4.18Å; W949-R989 HydrophobicContact CZ2-CG 4.06Å; W949-R989 HydrophobicContact CZ3-CB 4.01Å; W949-R989 HydrophobicContact CZ3-CG 3.78Å; Q961-R989 HydrophobicContact CB-CG 4.11Å; Q961-R989 PolarHBondContact N-O 2.04Å; Q961-R989 PolarHBondContact O-N 3.4Å; Q961-R989 VanDerWaalsContact OE1-CZ 3.3Å |
| 990 | S | 75.5 | Confident | 67.1 | Low | 104 Ų | 104 | 117.9 Ų | 117.9 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 139.8 | 169.6 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 991 | C | 80.3 | Confident | 65.8 | Low | 18 Ų | 18 | 123.9 Ų | 123.9 | 12% | 0.122 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 155.7 | 165.1 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | C952 G959 L960 Q961 | C952-C991 WeakPolarHBondContact CA-SG 3.43Å; C952-C991 HydrophobicContact CB-CB 3.87Å; C952-C991 WeakPolarHBondContact CB-SG 3.35Å; C952-C991 WeakPolarHBondContact SG-CB 3.07Å; C952-C991 CovalentContact SG-SG 2.03Å; C952-C991 PolarHBondContact SG-SG 3.33Å; G959-C991 PolarHBondContact N-O 3.24Å; G959-C991 PolarHBondContact O-N 3.35Å; G959-C991 VanDerWaalsContact O-O 3.11Å; G959-C991 PolarHBondContact O-SG 3.42Å; G959-C991 VanDerWaalsContact O-SG 3.39Å; L960-C991 VanDerWaalsContact C-SG 3.53Å; L960-C991 PolarHBondContact N-SG 2.96Å; L960-C991 VanDerWaalsContact N-SG 3.41Å; Q961-C991 HydrophobicContact CG-CB 3.82Å |
| 992 | Y | 76.5 | Confident | 64.8 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.8 | 174.2 | -171.9 | -110.6 | 0 | 0 | 0 | 109 | K958 S995 | K958-Y992 HydrophobicContact CB-CD2 4.44Å; K958-Y992 HydrophobicContact CG-CD2 3.63Å; K958-Y992 HydrophobicContact CG-CE2 4.02Å; Y992-S995 PolarHBondContact OH-OG 2.86Å |
| 993 | R | 65.8 | Low | 63.7 | Low | 145 Ų | 145 | 118.2 Ų | 118.2 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 165.1 | 164.1 | -84.2 | -172.6 | 157.5 | -162.2 | -8.5 | 108.7 | T955 G957 | T955-R993 VanDerWaalsContact O-CD 3.3Å; T955-R993 WeakPolarHBondContact O-CD 3.16Å; G957-R993 CarbonylContact C-O 3.6Å; G957-R993 VanDerWaalsContact CA-O 3.28Å; G957-R993 WeakPolarHBondContact CA-O 3.38Å; G957-R993 PolarHBondContact N-O 3.27Å; G957-R993 PolarHBondContact O-N 3.1Å |
| 994 | E | 68.4 | Low | 62.4 | Low | 171 Ų | 171 | 119.9 Ų | 119.9 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -51 | 152.6 | -174.3 | -63.3 | -179.1 | 163.6 | 0 | 0 | 113.6 | C956 G957 C996 | C956-E994 CarbonylContact C-O 3.54Å; C956-E994 WeakPolarHBondContact CA-O 3.44Å; C956-E994 VanDerWaalsContact CB-O 3.25Å; C956-E994 WeakPolarHBondContact CB-O 3.15Å; G957-E994 PolarHBondContact N-O 3.43Å; E994-C996 PolarHBondContact O-N 3.12Å |
| 995 | S | 60.3 | Low | 60.3 | Low | 65 Ų | 65 | 122.7 Ų | 122.7 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | trans | -54.4 | 127.1 | -174.5 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | Y992 F997 | Y992-S995 PolarHBondContact OH-OG 2.86Å; S995-F997 VanDerWaalsContact C-N 3.34Å; S995-F997 PolarHBondContact O-N 3.01Å | ||
| 996 | C | 55.5 | Low | 59.4 | Low | 78 Ų | 78 | 127.7 Ų | 127.7 | 53% | 0.527 | 68% | 0.68 | S | S | . | * | trans | -67.9 | 86.3 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | C956 E994 | C956-C996 HydrophobicContact CB-CB 4.02Å; C956-C996 WeakPolarHBondContact CB-SG 3.33Å; C956-C996 PolarHBondContact O-SG 3.48Å; C956-C996 VanDerWaalsContact O-SG 3.42Å; C956-C996 WeakPolarHBondContact SG-CB 3.44Å; C956-C996 CovalentContact SG-SG 2.04Å; C956-C996 PolarHBondContact SG-SG 2.83Å; E994-C996 PolarHBondContact O-N 3.12Å | ||
| 997 | F | 59.6 | Low | 58.6 | Low | 182 Ų | 182 | 130.1 Ų | 130.1 | 80% | 0.798 | 69% | 0.688 | S | S | * | * | trans | -84 | 123.6 | 169.9 | -86.7 | -80.9 | 0 | 0 | 0 | 110.8 | S995 R999 | S995-F997 VanDerWaalsContact C-N 3.34Å; S995-F997 PolarHBondContact O-N 3.01Å; F997-R999 PolarHBondContact O-N 3Å; F997-R999 VanDerWaalsContact O-N 3.1Å | ||
| 998 | N | 55.2 | Low | 57.5 | Low | 166 Ų | 166 | 134.3 Ų | 134.3 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | trans | -62.2 | 109.5 | 173.4 | -75.2 | -27.1 | 0 | 0 | 0 | 110.5 | ||||
| 999 | R | 40.3 | Very low | 56.3 | Low | 245 Ų | 245 | 133.5 Ų | 133.5 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -101.1 | 109 | 157.9 | -84.2 | -171.7 | 171.9 | -175.8 | -1.2 | 109.3 | F997 | F997-R999 PolarHBondContact O-N 3Å; F997-R999 VanDerWaalsContact O-N 3.1Å | ||
| 1000 | A | 41.3 | Very low | 54.9 | Low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 167.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1001 | K | 37.4 | Very low | 53.6 | Low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | trans | 96.3 | 150.8 | 174.5 | -61.6 | -174.1 | 174.4 | -171.5 | 0 | 115.9 | ||||
| 1002 | P | 43.4 | Very low | 51.6 | Low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -129.8 | -166.8 | -38.5 | 36.7 | -19.8 | 0 | 0 | 0 | 110.8 | ||||
| 1003 | A | 43 | Very low | 49.7 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 148.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1004 | D | 40.9 | Very low | 48.4 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | 177.6 | 158 | 124.9 | -88.5 | -21.2 | 0 | 0 | 0 | 111.2 | |||||
| 1005 | A | 35.5 | Very low | 46.6 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 100% | 1.479 | 82% | 0.819 | S | S | * | * | trans | 76.4 | 0 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.8 |
Retrieved 1,005 of 1,005 residues in 411.2 ms
(Link to these results)