| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.9 | Low | 79.3 | Confident | 224 Ų | 224 | 65.6 Ų | 65.6 | 100% | 1.103 | 33% | 0.328 | S | S | * | . | 0 | 124.5 | 0 | -81 | -170.8 | -174.6 | 0 | 0 | 106.7 | |||||
| 2 | G | 60.5 | Low | 78.1 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 144 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R4 D413 | G2-R4 PolarHBondContact O-N 2.98Å; G2-D413 CarbonylContact C-O 3.59Å; G2-D413 WeakPolarHBondContact CA-O 3.33Å |
| 3 | T | 77.1 | Confident | 76.4 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 116.4 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 108.8 | R128 D413 I414 I415 | T3-R128 PolarHBondContact OG1-NH1 2.81Å; T3-R128 PolarHBondContact OG1-NH2 3.01Å; T3-R128 VanDerWaalsContact OG1-NH2 3.14Å; T3-D413 PolarHBondContact N-O 3.38Å; T3-D413 VanDerWaalsContact N-O 3.13Å; T3-I414 WeakPolarHBondContact O-CA 3.43Å; T3-I415 PolarHBondContact O-N 3.25Å |
| 4 | R | 84.8 | Confident | 74.9 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 58% | 0.581 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.9 | 177.6 | -67 | -179.8 | -177.4 | -169.4 | 4.2 | 109.9 | G2 I415 E417 | G2-R4 PolarHBondContact O-N 2.98Å; R4-I415 WeakPolarHBondContact CA-O 3.35Å; R4-E417 WeakPolarHBondContact CD-OE1 3.37Å; R4-E417 IonicContact CZ-OE1 3.47Å; R4-E417 IonicContact NE-OE1 3.79Å; R4-E417 PolarHBondContact NE-OE1 2.89Å; R4-E417 IonicContact NH1-OE1 3.93Å |
| 5 | V | 86.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | Y44 L125 L129 I414 I415 F416 E417 | V5-Y44 HydrophobicContact CG1-CD1 4.09Å; V5-L125 HydrophobicContact CG2-CD1 3.72Å; V5-L129 HydrophobicContact CG1-CD1 4.16Å; V5-L129 HydrophobicContact CG1-CD2 3.99Å; V5-L129 HydrophobicContact CG2-CD2 4.26Å; V5-I414 HydrophobicContact CB-CG2 4.1Å; V5-I414 HydrophobicContact CG2-CG2 3.7Å; V5-I415 PolarHBondContact N-O 3.23Å; V5-F416 HydrophobicContact CB-CD1 4.04Å; V5-F416 HydrophobicContact CB-CE1 4.27Å; V5-F416 HydrophobicContact CG1-CD1 4.22Å; V5-F416 HydrophobicContact CG1-CE1 4.25Å; V5-F416 CarbonylContact O-C 3.56Å; V5-F416 WeakPolarHBondContact O-CA 3.26Å; V5-E417 PolarHBondContact O-N 2.69Å |
| 6 | F | 89.7 | Confident | 72.2 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 11% | 0.114 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 135.2 | 177 | -57 | -69 | 0 | 0 | 0 | 110.4 | Y44 L45 R48 E417 F419 | F6-Y44 CarbonylContact O-C 3.55Å; F6-Y44 VanDerWaalsContact O-CA 3.27Å; F6-Y44 WeakPolarHBondContact O-CA 3.17Å; F6-L45 PolarHBondContact N-O 3.47Å; F6-L45 PolarHBondContact O-N 2.85Å; F6-R48 HydrophobicContact CD1-CG 4.39Å; F6-R48 VanDerWaalsContact CD1-CZ 3.41Å; F6-R48 HydrophobicContact CD2-CG 3.65Å; F6-R48 HydrophobicContact CE1-CG 4.46Å; F6-R48 VanDerWaalsContact CE1-NE 3.32Å; F6-R48 HydrophobicContact CE2-CG 3.73Å; F6-R48 HydrophobicContact CG-CG 3.98Å; F6-R48 HydrophobicContact CZ-CG 4.13Å; F6-E417 CarbonylContact C-O 3.57Å; F6-E417 WeakPolarHBondContact CA-O 3.3Å; F6-E417 HydrophobicContact CD1-CB 3.94Å; F6-E417 HydrophobicContact CE1-CB 4.1Å; F6-E417 WeakPolarHBondContact CE1-OE2 3.46Å; F6-F419 HydrophobicContact CB-CB 4.25Å; F6-F419 HydrophobicContact CB-CD2 3.71Å; F6-F419 HydrophobicContact CB-CG 4.43Å; F6-F419 HydrophobicContact CG-CD2 4.36Å |
| 7 | K | 90.5 | Very high | 71.2 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.4 | 176 | 70.2 | 175.4 | -178.9 | 179.4 | 0 | 112.4 | T42 T43 Y44 F416 E417 F419 | K7-T42 HydrophobicContact CB-CG2 4.23Å; K7-T43 WeakPolarHBondContact CA-O 3.31Å; K7-Y44 HydrophobicContact CB-CD1 3.64Å; K7-Y44 HydrophobicContact CB-CE1 3.65Å; K7-Y44 HydrophobicContact CB-CG 4.37Å; K7-Y44 HydrophobicContact CD-CE1 3.99Å; K7-Y44 HydrophobicContact CG-CE1 4.46Å; K7-F416 HydrophobicContact CD-CB 4.07Å; K7-F416 HydrophobicContact CD-CD1 4.48Å; K7-F416 HydrophobicContact CD-CG 4.37Å; K7-E417 PolarHBondContact N-O 3.34Å; K7-F419 PolarHBondContact O-N 2.95Å; K7-F419 VanDerWaalsContact O-N 3.16Å |
| 8 | K | 89.6 | Confident | 70.5 | Confident | 79 Ų | 79 | 68 Ų | 68 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 132.6 | 166.5 | -166.6 | 174.3 | -179.6 | 171.9 | 0 | 110.5 | T42 T43 V189 R190 L191 F419 | K8-T42 WeakPolarHBondContact O-CA 3.39Å; K8-T43 PolarHBondContact N-O 3.31Å; K8-T43 PolarHBondContact O-N 3.3Å; K8-V189 HydrophobicContact CB-CG1 3.78Å; K8-V189 HydrophobicContact CD-CG1 4.01Å; K8-V189 HydrophobicContact CG-CG1 3.92Å; K8-R190 WeakPolarHBondContact CD-O 3.07Å; K8-R190 WeakPolarHBondContact CE-O 3.48Å; K8-R190 PolarHBondContact NZ-O 3.25Å; K8-L191 HydrophobicContact CB-CD2 3.52Å; K8-L191 HydrophobicContact CD-CD2 3.49Å; K8-L191 VanDerWaalsContact CD-CD2 3.49Å; K8-L191 HydrophobicContact CG-CD2 4.16Å; K8-F419 HydrophobicContact CB-CB 4.42Å |
| 9 | S | 85.4 | Confident | 69.7 | Low | 27 Ų | 27 | 68.8 Ų | 68.8 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 154.7 | 177.8 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | Q40 I41 T42 | S9-Q40 PolarHBondContact OG-NE2 2.64Å; S9-I41 CarbonylContact C-O 3.49Å; S9-I41 WeakPolarHBondContact CA-O 3.47Å; S9-T42 WeakPolarHBondContact CB-OG1 3.49Å; S9-T42 VanDerWaalsContact OG-CG2 3.3Å; S9-T42 WeakPolarHBondContact OG-CG2 3.36Å; S9-T42 PolarHBondContact OG-OG1 3.27Å |
| 10 | S | 83.5 | Confident | 69.1 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -60.4 | 147.8 | 174.4 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | S12 G13 I41 V189 | S10-S12 WeakPolarHBondContact CB-OG 3.35Å; S10-S12 PolarHBondContact O-N 2.96Å; S10-S12 PolarHBondContact OG-OG 3.05Å; S10-G13 PolarHBondContact O-N 3.39Å; S10-I41 PolarHBondContact N-O 2.75Å; S10-I41 PolarHBondContact OG-N 3.05Å; S10-V189 VanDerWaalsContact N-CG2 3.34Å | ||
| 11 | P | 74.3 | Confident | 68.6 | Low | 58 Ų | 58 | 72.2 Ų | 72.2 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.2 | -36.1 | 176.9 | -27 | 33.2 | 0 | 0 | 0 | 114 | G13 K14 F15 Q186 | P11-G13 VanDerWaalsContact C-N 3.3Å; P11-G13 PolarHBondContact O-N 2.97Å; P11-K14 PolarHBondContact O-N 2.74Å; P11-F15 PolarHBondContact O-N 3.21Å; P11-Q186 WeakPolarHBondContact CD-O 3.32Å |
| 12 | S | 64.4 | Low | 69.1 | Low | 8 Ų | 8 | 66.7 Ų | 66.7 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.5 | -44.7 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | S10 K14 F15 L39 Q186 | S10-S12 WeakPolarHBondContact CB-OG 3.35Å; S10-S12 PolarHBondContact O-N 2.96Å; S10-S12 PolarHBondContact OG-OG 3.05Å; S12-K14 PolarHBondContact O-N 3.39Å; S12-F15 PolarHBondContact O-N 3.36Å; S12-L39 PolarHBondContact OG-O 3.29Å; S12-Q186 PolarHBondContact N-O 3.05Å; S12-Q186 PolarHBondContact OG-O 3.25Å |
| 13 | G | 56.4 | Low | 69.1 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70 | -29.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S10 P11 V16 L17 | S10-G13 PolarHBondContact O-N 3.39Å; P11-G13 VanDerWaalsContact C-N 3.3Å; P11-G13 PolarHBondContact O-N 2.97Å; G13-V16 PolarHBondContact O-N 3.04Å; G13-L17 PolarHBondContact O-N 3.28Å; G13-L17 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 55.1 | Low | 68.2 | Low | 128 Ų | 128 | 68.8 Ų | 68.8 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.2 | -36.9 | 177.8 | -70.9 | -169.8 | 179.2 | -172.5 | 0 | 112.1 | P11 S12 L17 L18 | P11-K14 PolarHBondContact O-N 2.74Å; S12-K14 PolarHBondContact O-N 3.39Å; K14-L17 PolarHBondContact O-N 2.81Å; K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | F | 53.6 | Low | 67.1 | Low | 143 Ų | 143 | 68.8 Ų | 68.8 | 63% | 0.627 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 176.9 | -89 | -85 | 0 | 0 | 0 | 111.6 | P11 S12 L18 L19 | P11-F15 PolarHBondContact O-N 3.21Å; S12-F15 PolarHBondContact O-N 3.36Å; F15-L18 PolarHBondContact O-N 3.4Å; F15-L19 WeakPolarHBondContact O-CB 3.2Å; F15-L19 PolarHBondContact O-N 3.07Å |
| 16 | V | 53.2 | Low | 65.8 | Low | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | G13 L18 L19 L20 H38 | G13-V16 PolarHBondContact O-N 3.04Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.84Å; V16-L19 PolarHBondContact O-N 3.49Å; V16-L20 HydrophobicContact CG1-CD1 3.83Å; V16-L20 HydrophobicContact CG1-CG 4.32Å; V16-L20 WeakPolarHBondContact O-CB 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.46Å; V16-H38 HydrophobicContact CG2-CB 3.68Å |
| 17 | L | 55.1 | Low | 64 | Low | 97 Ų | 97 | 79 Ų | 79 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 179.9 | -147.6 | 110.5 | 0 | 0 | 0 | 112.4 | G13 K14 K21 | G13-L17 PolarHBondContact O-N 3.28Å; G13-L17 VanDerWaalsContact O-N 3.16Å; K14-L17 PolarHBondContact O-N 2.81Å; L17-K21 WeakPolarHBondContact O-CG 3.36Å; L17-K21 PolarHBondContact O-N 3.04Å; L17-K21 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 57.7 | Low | 62.2 | Low | 104 Ų | 104 | 83.6 Ų | 83.6 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 174.3 | -167.8 | 72.4 | 0 | 0 | 0 | 111.1 | K14 F15 V16 L20 K21 I22 | K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.08Å; F15-L18 PolarHBondContact O-N 3.4Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.84Å; L18-L20 PolarHBondContact O-N 2.94Å; L18-K21 PolarHBondContact O-N 3.39Å; L18-I22 HydrophobicContact CG-CD1 4.16Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.38Å |
| 19 | L | 57 | Low | 60.4 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.4 | -117.7 | 118.4 | 0 | 0 | 0 | 111.8 | F15 V16 K21 I22 L23 L35 | F15-L19 WeakPolarHBondContact O-CB 3.2Å; F15-L19 PolarHBondContact O-N 3.07Å; V16-L19 PolarHBondContact O-N 3.49Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.5Å; L19-I22 PolarHBondContact O-N 3.44Å; L19-L23 HydrophobicContact CD2-CD1 3.99Å; L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L35 HydrophobicContact CB-CD2 4.36Å; L19-L35 HydrophobicContact CD2-CD2 4.06Å |
| 20 | L | 57.6 | Low | 58.7 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.9 | -78.4 | 167.3 | 0 | 0 | 0 | 112.2 | V16 L18 A24 | V16-L20 HydrophobicContact CG1-CD1 3.83Å; V16-L20 HydrophobicContact CG1-CG 4.32Å; V16-L20 WeakPolarHBondContact O-CB 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.46Å; L18-L20 PolarHBondContact O-N 2.94Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.73Å |
| 21 | K | 58.1 | Low | 56.9 | Low | 144 Ų | 144 | 97.2 Ų | 97.2 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 173.8 | -78.4 | -179.4 | 177.1 | -173.5 | 0 | 112.1 | L17 L18 L19 A24 D25 | L17-K21 WeakPolarHBondContact O-CG 3.36Å; L17-K21 PolarHBondContact O-N 3.04Å; L17-K21 VanDerWaalsContact O-N 3.12Å; L18-K21 PolarHBondContact O-N 3.39Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.5Å; K21-A24 PolarHBondContact O-N 2.82Å; K21-D25 PolarHBondContact O-N 3.49Å |
| 22 | I | 62 | Low | 55.3 | Low | 109 Ų | 109 | 102 Ų | 102 | 56% | 0.559 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 177.1 | -65.7 | 164.6 | 0 | 0 | 0 | 110.8 | L18 L19 D25 | L18-I22 HydrophobicContact CG-CD1 4.16Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.38Å; L19-I22 PolarHBondContact O-N 3.44Å; I22-D25 PolarHBondContact O-N 3.41Å |
| 23 | L | 58.8 | Low | 54 | Low | 48 Ų | 48 | 113.2 Ų | 113.2 | 25% | 0.251 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.8 | -25.6 | 178.9 | -71.3 | 171.3 | 0 | 0 | 0 | 113.1 | L19 D25 S26 L35 | L19-L23 HydrophobicContact CD2-CD1 3.99Å; L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.32Å; L23-D25 PolarHBondContact O-N 3.36Å; L23-S26 PolarHBondContact O-N 2.8Å; L23-L35 HydrophobicContact CD1-CD1 3.64Å |
| 24 | A | 60 | Low | 53.2 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.1 | -22.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L20 K21 S26 | L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.73Å; K21-A24 PolarHBondContact O-N 2.82Å; A24-S26 VanDerWaalsContact C-N 3.29Å |
| 25 | D | 60.7 | Low | 52.4 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 82% | 0.824 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -3.6 | 175 | -149.7 | 23.4 | 0 | 0 | 0 | 112.5 | K21 I22 L23 | K21-D25 PolarHBondContact O-N 3.49Å; I22-D25 PolarHBondContact O-N 3.41Å; L23-D25 PolarHBondContact O-N 3.36Å |
| 26 | S | 58.4 | Low | 51.8 | Low | 68 Ų | 68 | 119.8 Ų | 119.8 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -124.7 | 116.4 | -178.7 | -146.3 | 0 | 0 | 0 | 0 | 109.4 | L23 A24 R28 | L23-S26 PolarHBondContact O-N 2.8Å; A24-S26 VanDerWaalsContact C-N 3.29Å; S26-R28 PolarHBondContact O-N 2.98Å |
| 27 | D | 53.7 | Low | 51.5 | Low | 171 Ų | 171 | 126.2 Ų | 126.2 | 91% | 0.914 | 61% | 0.607 | S | S | * | * | trans | -64 | 60.5 | -179.4 | -91.1 | -28.8 | 0 | 0 | 0 | 113.5 | ||||
| 28 | R | 51.5 | Low | 51.5 | Low | 180 Ų | 180 | 126.5 Ų | 126.5 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | trans | -123.6 | 85.4 | 173.7 | -74 | -164.9 | 176.7 | -163.7 | 0.7 | 110.3 | S26 E30 | S26-R28 PolarHBondContact O-N 2.98Å; R28-E30 PolarHBondContact O-N 3.14Å | ||
| 29 | T | 51.1 | Low | 51.6 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -16.5 | -179.2 | -12.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 30 | E | 50.5 | Low | 52.5 | Low | 188 Ų | 188 | 122.6 Ų | 122.6 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -18.1 | -174.7 | -79.4 | -176.7 | 145.7 | 0 | 0 | 115.6 | R28 R32 | R28-E30 PolarHBondContact O-N 3.14Å; E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.18Å |
| 31 | L | 46.5 | Very low | 54 | Low | 84 Ų | 84 | 119.5 Ų | 119.5 | 44% | 0.44 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -80.4 | -5.4 | 177.8 | -83.7 | 159.7 | 0 | 0 | 0 | 113.6 | R33 | L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.27Å |
| 32 | R | 39.7 | Very low | 55.5 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -68.8 | -14.4 | -176.5 | -87.6 | -175.3 | 169 | -177.5 | -1.3 | 115.1 | E30 | E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.18Å |
| 33 | R | 37.6 | Very low | 57 | Low | 244 Ų | 244 | 107.7 Ų | 107.7 | 92% | 0.921 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -92.3 | -9.9 | -177.8 | -78.9 | -176.3 | 171.3 | 171 | -2 | 115.4 | L31 | L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.27Å |
| 34 | Q | 39.2 | Very low | 58.7 | Low | 163 Ų | 163 | 106.1 Ų | 106.1 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -109.1 | 4.7 | -178.3 | -89.1 | -179.6 | -20.1 | 0 | 0 | 114.8 | Y36 | Q34-Y36 PolarHBondContact O-N 3.26Š|
| 35 | L | 37.9 | Very low | 60.3 | Low | 40 Ų | 40 | 102.9 Ų | 102.9 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | trans | -71.8 | 99.2 | 167.3 | -83.8 | 121.2 | 0 | 0 | 0 | 108.8 | L19 L23 F37 | L19-L35 HydrophobicContact CB-CD2 4.36Å; L19-L35 HydrophobicContact CD2-CD2 4.06Å; L23-L35 HydrophobicContact CD1-CD1 3.64Å; L35-F37 PolarHBondContact O-N 2.87Å | ||
| 36 | Y | 41.7 | Very low | 61.8 | Low | 209 Ų | 209 | 96.3 Ų | 96.3 | 82% | 0.82 | 45% | 0.445 | S | S | * | . | trans | -49.4 | 110.3 | 159.4 | -89.9 | -95.7 | 0 | 0 | 0 | 107.6 | Q34 H38 | Q34-Y36 PolarHBondContact O-N 3.26Å; Y36-H38 VanDerWaalsContact C-N 3.3Å; Y36-H38 PolarHBondContact O-N 2.93Å | ||
| 37 | F | 47.7 | Very low | 63.3 | Low | 155 Ų | 155 | 97.8 Ų | 97.8 | 68% | 0.68 | 44% | 0.443 | S | S | * | . | trans | -61.6 | 97.8 | 171.8 | -84.9 | -89.5 | 0 | 0 | 0 | 107 | L35 L39 | L35-F37 PolarHBondContact O-N 2.87Å; F37-L39 PolarHBondContact O-N 3.46Å | ||
| 38 | H | 53.4 | Low | 65.1 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | trans | -66 | 111.5 | 177.5 | -101.7 | -62.8 | 0 | 0 | 0 | 108.7 | V16 Y36 Q40 | V16-H38 HydrophobicContact CG2-CB 3.68Å; Y36-H38 VanDerWaalsContact C-N 3.3Å; Y36-H38 PolarHBondContact O-N 2.93Å; H38-Q40 PolarHBondContact O-N 3.13Å; H38-Q40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | L | 59.9 | Low | 67.1 | Low | 33 Ų | 33 | 84 Ų | 84 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | trans | -16.8 | 104.3 | 165.4 | -79.7 | 146.5 | 0 | 0 | 0 | 113.5 | S12 F37 I70 | S12-L39 PolarHBondContact OG-O 3.29Å; F37-L39 PolarHBondContact O-N 3.46Å; L39-I70 HydrophobicContact CD2-CB 4.31Å; L39-I70 HydrophobicContact CD2-CD1 4.07Å; L39-I70 HydrophobicContact CD2-CG1 3.2Å | ||
| 40 | Q | 76.9 | Confident | 69.1 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | trans | -107.3 | 119.4 | 177.1 | -174.6 | 174.4 | -13.1 | 0 | 0 | 110.4 | S9 H38 | S9-Q40 PolarHBondContact OG-NE2 2.64Å; H38-Q40 PolarHBondContact O-N 3.13Å; H38-Q40 VanDerWaalsContact O-N 3.13Å | ||
| 41 | I | 88.2 | Confident | 71.1 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -108.1 | 139.4 | 166 | 53.1 | 164.7 | 0 | 0 | 0 | 109.3 | S9 S10 I70 T173 V175 D187 V189 | S9-I41 CarbonylContact C-O 3.49Å; S9-I41 WeakPolarHBondContact CA-O 3.47Å; S10-I41 PolarHBondContact N-O 2.75Å; S10-I41 PolarHBondContact OG-N 3.05Å; I41-I70 HydrophobicContact CG2-CD1 3.52Å; I41-T173 HydrophobicContact CD1-CG2 3.93Å; I41-V175 HydrophobicContact CD1-CG2 4.34Å; I41-V175 HydrophobicContact CG2-CG2 3.53Å; I41-D187 WeakPolarHBondContact CD1-O 3.32Å; I41-V189 HydrophobicContact CD1-CG2 4.05Å; I41-V189 HydrophobicContact CG1-CG2 3.97Å | ||
| 42 | T | 91 | Very high | 73.2 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.1 | 175 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | K7 K8 S9 Y44 V64 L65 | K7-T42 HydrophobicContact CB-CG2 4.23Å; K8-T42 WeakPolarHBondContact O-CA 3.39Å; S9-T42 WeakPolarHBondContact CB-OG1 3.49Å; S9-T42 VanDerWaalsContact OG-CG2 3.3Å; S9-T42 WeakPolarHBondContact OG-CG2 3.36Å; S9-T42 PolarHBondContact OG-OG1 3.27Å; T42-Y44 HydrophobicContact CG2-CD2 4.18Å; T42-Y44 HydrophobicContact CG2-CE1 4.35Å; T42-Y44 HydrophobicContact CG2-CE2 3.44Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.44Å; T42-V64 CarbonylContact O-C 3.58Å; T42-V64 WeakPolarHBondContact O-CA 3.47Å; T42-L65 PolarHBondContact N-O 3.49Å; T42-L65 PolarHBondContact O-N 3.47Å |
| 43 | T | 93.6 | Very high | 75.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.5 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | K7 K8 V64 F140 L171 T173 L191 | K7-T43 WeakPolarHBondContact CA-O 3.31Å; K8-T43 PolarHBondContact N-O 3.31Å; K8-T43 PolarHBondContact O-N 3.3Å; T43-V64 HydrophobicContact CG2-CG2 4.44Å; T43-F140 HydrophobicContact CG2-CE1 3.98Å; T43-F140 HydrophobicContact CG2-CZ 4.01Å; T43-L171 HydrophobicContact CG2-CD2 4.46Å; T43-T173 VanDerWaalsContact OG1-CB 3.31Å; T43-T173 WeakPolarHBondContact OG1-CB 3.41Å; T43-T173 PolarHBondContact OG1-OG1 2.75Å; T43-L191 HydrophobicContact CG2-CD1 3.63Å |
| 44 | Y | 94.3 | Very high | 77.8 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.5 | -178.2 | -61.7 | -99.3 | 0 | 0 | 0 | 110.3 | V5 F6 K7 T42 G62 M63 L65 L129 L133 F416 | V5-Y44 HydrophobicContact CG1-CD1 4.09Å; F6-Y44 CarbonylContact O-C 3.55Å; F6-Y44 VanDerWaalsContact O-CA 3.27Å; F6-Y44 WeakPolarHBondContact O-CA 3.17Å; K7-Y44 HydrophobicContact CB-CD1 3.64Å; K7-Y44 HydrophobicContact CB-CE1 3.65Å; K7-Y44 HydrophobicContact CB-CG 4.37Å; K7-Y44 HydrophobicContact CD-CE1 3.99Å; K7-Y44 HydrophobicContact CG-CE1 4.46Å; T42-Y44 HydrophobicContact CG2-CD2 4.18Å; T42-Y44 HydrophobicContact CG2-CE1 4.35Å; T42-Y44 HydrophobicContact CG2-CE2 3.44Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.44Å; Y44-G62 WeakPolarHBondContact O-CA 3.36Å; Y44-M63 PolarHBondContact N-O 3.4Å; Y44-M63 PolarHBondContact O-N 2.83Å; Y44-L65 HydrophobicContact CE2-CB 3.7Å; Y44-L129 HydrophobicContact CD1-CD2 4.44Å; Y44-L133 HydrophobicContact CD1-CD1 4.21Å; Y44-L133 HydrophobicContact CD2-CD1 3.9Å; Y44-L133 HydrophobicContact CE1-CD1 3.95Å; Y44-L133 HydrophobicContact CE1-CD2 4.26Å; Y44-L133 HydrophobicContact CE2-CD1 3.66Å; Y44-L133 HydrophobicContact CG-CD1 4.17Å; Y44-F416 AromaticContact CD1-CD1 3.95Å; Y44-F416 HydrophobicContact CD1-CD1 3.95Å; Y44-F416 AromaticContact CD1-CE1 3.65Å; Y44-F416 HydrophobicContact CD1-CE1 3.65Å; Y44-F416 AromaticContact CE1-CD1 3.8Å; Y44-F416 HydrophobicContact CE1-CD1 3.8Å; Y44-F416 AromaticContact CE1-CE1 3.5Å; Y44-F416 HydrophobicContact CE1-CE1 3.5Å; Y44-F416 VanDerWaalsContact CE1-CE1 3.5Å; Y44-F416 HydrophobicContact CE1-CZ 4.16Å |
| 45 | L | 94.1 | Very high | 80 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.7 | 176.3 | -71.2 | 176.1 | 0 | 0 | 0 | 110.1 | F6 I60 D61 F140 L171 L191 I193 F419 | F6-L45 PolarHBondContact N-O 3.47Å; F6-L45 PolarHBondContact O-N 2.85Å; L45-I60 HydrophobicContact CD2-CG2 4.38Å; L45-D61 WeakPolarHBondContact CD2-O 3.4Å; L45-F140 HydrophobicContact CD2-CE2 4.14Å; L45-F140 HydrophobicContact CD2-CZ 3.73Å; L45-L171 HydrophobicContact CD1-CD2 3.9Å; L45-L171 HydrophobicContact CD2-CD2 4.03Å; L45-L171 HydrophobicContact CG-CD2 4.33Å; L45-L191 HydrophobicContact CD1-CD1 3.73Å; L45-L191 HydrophobicContact CG-CD1 4.23Å; L45-I193 HydrophobicContact CD1-CG2 3.92Å; L45-F419 HydrophobicContact CD1-CD2 4.39Å; L45-F419 HydrophobicContact CD1-CE2 3.77Å |
| 46 | G | 90.9 | Very high | 82.4 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -75.9 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 47 | K | 91.2 | Very high | 84.7 | Confident | 98 Ų | 98 | 42.6 Ų | 42.6 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | trans | -133.7 | 155.7 | -176.3 | -57.8 | -178.7 | -176.4 | -179.1 | 0 | 110.5 | F50 | K47-F50 HydrophobicContact CB-CE1 4.47Š| ||
| 48 | R | 91.3 | Very high | 86.9 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -101.3 | -19.8 | 171.5 | -52.5 | -170.8 | -174.4 | 135.5 | -11.4 | 112.6 | F6 I193 R194 D418 F419 A420 | F6-R48 HydrophobicContact CD1-CG 4.39Å; F6-R48 VanDerWaalsContact CD1-CZ 3.41Å; F6-R48 HydrophobicContact CD2-CG 3.65Å; F6-R48 HydrophobicContact CE1-CG 4.46Å; F6-R48 VanDerWaalsContact CE1-NE 3.32Å; F6-R48 HydrophobicContact CE2-CG 3.73Å; F6-R48 HydrophobicContact CG-CG 3.98Å; F6-R48 HydrophobicContact CZ-CG 4.13Å; R48-I193 CarbonylContact O-C 3.5Å; R48-I193 WeakPolarHBondContact O-CA 3.26Å; R48-R194 PolarHBondContact O-N 2.77Å; R48-D418 PolarHBondContact NH2-O 3.13Å; R48-F419 HydrophobicContact CB-CE2 4.06Å; R48-F419 HydrophobicContact CB-CZ 4.09Å; R48-F419 HydrophobicContact CG-CD2 4.02Å; R48-F419 HydrophobicContact CG-CE2 3.61Å; R48-F419 HydrophobicContact CG-CZ 4Å; R48-F419 PolarHBondContact NE-O 2.54Å; R48-F419 PolarHBondContact NH2-O 3.02Å; R48-A420 PolarHBondContact NH2-O 3.08Å |
| 49 | D | 92.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.3 | -176.4 | -59.8 | -21.2 | 0 | 0 | 0 | 107.9 | R194 L196 R421 | D49-R194 CarbonylContact C-O 3.55Å; D49-R194 WeakPolarHBondContact CA-O 3.47Å; D49-R194 VanDerWaalsContact CG-NH2 3.34Å; D49-R194 IonicContact OD1-CZ 3.61Å; D49-R194 IonicContact OD1-NE 3.16Å; D49-R194 PolarHBondContact OD1-NE 3.47Å; D49-R194 IonicContact OD1-NH2 2.92Å; D49-R194 PolarHBondContact OD1-NH2 3.34Å; D49-R194 IonicContact OD2-CZ 2.85Å; D49-R194 IonicContact OD2-NE 2.75Å; D49-R194 IonicContact OD2-NH2 3.18Å; D49-R194 PolarHBondContact OD2-NH2 2.7Å; D49-L196 HydrophobicContact CB-CD1 4.03Å; D49-R421 IonicContact OD1-CZ 3.31Å; D49-R421 IonicContact OD1-NH2 3.35Å; D49-R421 PolarHBondContact OD1-NH2 3.06Å |
| 50 | F | 93.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.1 | -179.6 | -63.9 | -85.6 | 0 | 0 | 0 | 108.3 | K47 D58 I60 I193 R194 K195 L196 | K47-F50 HydrophobicContact CB-CE1 4.47Å; F50-D58 HydrophobicContact CB-CB 4.21Å; F50-D58 HydrophobicContact CD1-CB 4.15Å; F50-I60 HydrophobicContact CB-CG1 4.48Å; F50-I60 HydrophobicContact CD1-CB 4.33Å; F50-I60 HydrophobicContact CD1-CG1 3.65Å; F50-I60 HydrophobicContact CD2-CD1 4.42Å; F50-I60 HydrophobicContact CD2-CG1 3.82Å; F50-I60 HydrophobicContact CE1-CB 3.99Å; F50-I60 HydrophobicContact CE1-CG1 3.76Å; F50-I60 HydrophobicContact CE1-CG2 4.17Å; F50-I60 HydrophobicContact CE2-CB 4.48Å; F50-I60 HydrophobicContact CE2-CG1 3.91Å; F50-I60 HydrophobicContact CE2-CG2 4.11Å; F50-I60 HydrophobicContact CG-CG1 3.69Å; F50-I60 HydrophobicContact CZ-CB 4.06Å; F50-I60 HydrophobicContact CZ-CG1 3.89Å; F50-I60 HydrophobicContact CZ-CG2 3.74Å; F50-I193 HydrophobicContact CD2-CB 4.3Å; F50-I193 HydrophobicContact CD2-CD1 4.12Å; F50-I193 HydrophobicContact CE2-CB 4.07Å; F50-I193 HydrophobicContact CE2-CD1 4.02Å; F50-I193 HydrophobicContact CE2-CG2 4.04Å; F50-R194 PolarHBondContact N-O 3.07Å; F50-K195 WeakPolarHBondContact O-CA 3.45Å; F50-L196 PolarHBondContact O-N 2.66Å |
| 51 | I | 91.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135 | -173.1 | -48.8 | -48.8 | 0 | 0 | 0 | 110.3 | H53 V57 D58 L196 C198 | I51-H53 VanDerWaalsContact CG2-CE1 3.5Å; I51-H53 WeakPolarHBondContact CG2-CE1 3.49Å; I51-V57 CarbonylContact O-C 3.57Å; I51-V57 WeakPolarHBondContact O-CA 3.14Å; I51-V57 WeakPolarHBondContact O-CG1 3.42Å; I51-D58 WeakPolarHBondContact CB-OD2 3.49Å; I51-D58 WeakPolarHBondContact CG1-OD2 3.37Å; I51-D58 PolarHBondContact N-OD2 3.46Å; I51-D58 PolarHBondContact O-N 2.83Å; I51-L196 CarbonylContact C-O 3.6Å; I51-L196 WeakPolarHBondContact CA-O 3.19Å; I51-C198 HydrophobicContact CG2-CB 3.31Å |
| 52 | D | 91.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.4 | 166.6 | 175.2 | 11.2 | 0 | 0 | 0 | 109.2 | L54 V57 K195 L196 C198 | D52-L54 VanDerWaalsContact C-N 3.32Å; D52-L54 WeakPolarHBondContact OD1-CA 3.4Å; D52-L54 PolarHBondContact OD1-N 3.48Å; D52-V57 HydrophobicContact CB-CG1 4.48Å; D52-V57 HydrophobicContact CB-CG2 4.07Å; D52-K195 HydrophobicContact CB-CG 4.33Å; D52-K195 WeakPolarHBondContact OD2-CE 3.45Å; D52-K195 IonicContact OD2-NZ 3.85Å; D52-K195 PolarHBondContact OD2-NZ 2.86Å; D52-L196 PolarHBondContact N-O 3.38Å; D52-C198 PolarHBondContact O-N 3.16Å |
| 53 | H | 88.2 | Confident | 91.6 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | trans | -93.5 | 15.2 | -178.4 | -56.2 | -80 | 0 | 0 | 0 | 112.6 | I51 T55 H56 D58 | I51-H53 VanDerWaalsContact CG2-CE1 3.5Å; I51-H53 WeakPolarHBondContact CG2-CE1 3.49Å; H53-T55 PolarHBondContact O-N 3.36Å; H53-H56 AromaticContact CD2-CD2 3.9Å; H53-H56 AromaticContact CD2-CE1 3.66Å; H53-H56 AromaticContact CD2-NE2 3.41Å; H53-H56 PolarHBondContact CD2-NE2 2.92Å; H53-H56 AromaticContact CG-CE1 3.91Å; H53-H56 PolarHBondContact N-O 3.08Å; H53-D58 IonicContact CD2-OD1 3.75Å; H53-D58 IonicContact NE2-OD1 2.85Å; H53-D58 PolarHBondContact NE2-OD1 3.29Å | ||
| 54 | L | 85 | Confident | 91.7 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 67.6 | -31.6 | -174.6 | -50 | 176.8 | 0 | 0 | 0 | 115.1 | D52 P146 T197 V199 L203 I333 | D52-L54 VanDerWaalsContact C-N 3.32Å; D52-L54 WeakPolarHBondContact OD1-CA 3.4Å; D52-L54 PolarHBondContact OD1-N 3.48Å; L54-P146 WeakPolarHBondContact O-CB 3.49Å; L54-T197 HydrophobicContact CD2-CG2 3.84Å; L54-V199 HydrophobicContact CD1-CG1 4.23Å; L54-V199 HydrophobicContact CD1-CG2 4.36Å; L54-L203 HydrophobicContact CD1-CD1 4.32Å; L54-I333 HydrophobicContact CD1-CG1 4.26Å; L54-I333 HydrophobicContact CD1-CG2 4.43Å; L54-I333 HydrophobicContact CD2-CB 4.01Å; L54-I333 HydrophobicContact CD2-CG1 4.07Å; L54-I333 HydrophobicContact CD2-CG2 4.47Å |
| 55 | T | 85.7 | Confident | 91.6 | Very high | 116 Ų | 116 | 31.7 Ų | 31.7 | 71% | 0.712 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -89.9 | -37.6 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | H53 | H53-T55 PolarHBondContact O-N 3.36Š|
| 56 | H | 88.7 | Confident | 91.4 | Very high | 103 Ų | 103 | 31.9 Ų | 31.9 | 48% | 0.477 | 17% | 0.168 | S | C | . | . | trans | -151 | 161.2 | 179.4 | 66.3 | -71.9 | 0 | 0 | 0 | 109.4 | H53 | H53-H56 AromaticContact CD2-CD2 3.9Å; H53-H56 AromaticContact CD2-CE1 3.66Å; H53-H56 AromaticContact CD2-NE2 3.41Å; H53-H56 PolarHBondContact CD2-NE2 2.92Å; H53-H56 AromaticContact CG-CE1 3.91Å; H53-H56 PolarHBondContact N-O 3.08Å | ||
| 57 | V | 91.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -112.3 | 139.9 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 108 | I51 D52 V59 L144 P146 | I51-V57 CarbonylContact O-C 3.57Å; I51-V57 WeakPolarHBondContact O-CA 3.14Å; I51-V57 WeakPolarHBondContact O-CG1 3.42Å; D52-V57 HydrophobicContact CB-CG1 4.48Å; D52-V57 HydrophobicContact CB-CG2 4.07Å; V57-V59 PolarHBondContact O-N 3.41Å; V57-L144 HydrophobicContact CB-CB 4.05Å; V57-L144 WeakPolarHBondContact CB-O 3.3Å; V57-L144 HydrophobicContact CG1-CB 3.97Å; V57-L144 HydrophobicContact CG1-CD1 4.41Å; V57-L144 HydrophobicContact CG2-CB 4.22Å; V57-L144 WeakPolarHBondContact CG2-O 3.46Å; V57-P146 HydrophobicContact CG2-CG 4.47Å |
| 58 | D | 92.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | trans | -49.1 | 128.4 | 172.5 | -72.6 | -8.1 | 0 | 0 | 0 | 110.3 | F50 I51 H53 I60 | F50-D58 HydrophobicContact CB-CB 4.21Å; F50-D58 HydrophobicContact CD1-CB 4.15Å; I51-D58 WeakPolarHBondContact CB-OD2 3.49Å; I51-D58 WeakPolarHBondContact CG1-OD2 3.37Å; I51-D58 PolarHBondContact N-OD2 3.46Å; I51-D58 PolarHBondContact O-N 2.83Å; H53-D58 IonicContact CD2-OD1 3.75Å; H53-D58 IonicContact NE2-OD1 2.85Å; H53-D58 PolarHBondContact NE2-OD1 3.29Å; D58-I60 PolarHBondContact O-N 3Å | ||
| 59 | V | 93.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 32.7 Ų | 32.7 | 33% | 0.333 | 18% | 0.175 | S | C | . | . | trans | -63.2 | 133.1 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | V57 D61 W141 E143 | V57-V59 PolarHBondContact O-N 3.41Å; V59-D61 PolarHBondContact O-N 3.25Å; V59-D61 VanDerWaalsContact O-N 3.17Å; V59-W141 HydrophobicContact CG1-CB 4.37Å; V59-E143 HydrophobicContact CG1-CG 4.2Å; V59-E143 HydrophobicContact CG2-CG 4.22Å | ||
| 60 | I | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 93.4 | 172.8 | -58.9 | 163.3 | 0 | 0 | 0 | 107.6 | L45 F50 D58 L81 W141 F142 L144 I193 | L45-I60 HydrophobicContact CD2-CG2 4.38Å; F50-I60 HydrophobicContact CB-CG1 4.48Å; F50-I60 HydrophobicContact CD1-CB 4.33Å; F50-I60 HydrophobicContact CD1-CG1 3.65Å; F50-I60 HydrophobicContact CD2-CD1 4.42Å; F50-I60 HydrophobicContact CD2-CG1 3.82Å; F50-I60 HydrophobicContact CE1-CB 3.99Å; F50-I60 HydrophobicContact CE1-CG1 3.76Å; F50-I60 HydrophobicContact CE1-CG2 4.17Å; F50-I60 HydrophobicContact CE2-CB 4.48Å; F50-I60 HydrophobicContact CE2-CG1 3.91Å; F50-I60 HydrophobicContact CE2-CG2 4.11Å; F50-I60 HydrophobicContact CG-CG1 3.69Å; F50-I60 HydrophobicContact CZ-CB 4.06Å; F50-I60 HydrophobicContact CZ-CG1 3.89Å; F50-I60 HydrophobicContact CZ-CG2 3.74Å; D58-I60 PolarHBondContact O-N 3Å; I60-L81 HydrophobicContact CD1-CD1 4.24Å; I60-L81 HydrophobicContact CD1-CD2 3.58Å; I60-W141 CarbonylContact O-C 3.57Å; I60-W141 VanDerWaalsContact O-CA 3.29Å; I60-W141 WeakPolarHBondContact O-CA 3.22Å; I60-F142 HydrophobicContact CB-CB 4.11Å; I60-F142 HydrophobicContact CD1-CB 4.29Å; I60-F142 PolarHBondContact N-O 3.34Å; I60-F142 PolarHBondContact O-N 2.91Å; I60-L144 HydrophobicContact CD1-CD1 3.76Å; I60-L144 HydrophobicContact CD1-CG 4.07Å; I60-I193 HydrophobicContact CD1-CD1 3.65Å; I60-I193 HydrophobicContact CG1-CD1 4.36Å; I60-I193 HydrophobicContact CG2-CD1 4.48Å |
| 61 | D | 93.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.5 | 177.1 | 74 | -38 | 0 | 0 | 0 | 112.1 | L45 V59 T123 | L45-D61 WeakPolarHBondContact CD2-O 3.4Å; V59-D61 PolarHBondContact O-N 3.25Å; V59-D61 VanDerWaalsContact O-N 3.17Å; D61-T123 HydrophobicContact CB-CG2 4.07Å; D61-T123 VanDerWaalsContact OD2-CB 3.3Å; D61-T123 WeakPolarHBondContact OD2-CB 3.35Å; D61-T123 WeakPolarHBondContact OD2-CG2 3.48Å; D61-T123 PolarHBondContact OD2-OG1 3.12Å |
| 62 | G | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | -178.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y44 Q126 P139 F140 | Y44-G62 WeakPolarHBondContact O-CA 3.36Å; G62-Q126 PolarHBondContact O-NE2 2.85Å; G62-Q126 VanDerWaalsContact O-NE2 3.11Å; G62-P139 WeakPolarHBondContact O-CA 3.15Å; G62-F140 PolarHBondContact N-O 2.83Å; G62-F140 PolarHBondContact O-N 3.16Å |
| 63 | M | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.7 | 177 | -62.1 | -72.1 | -75.9 | 0 | 0 | 110 | Y44 Q126 L129 R130 A137 L138 P139 | Y44-M63 PolarHBondContact N-O 3.4Å; Y44-M63 PolarHBondContact O-N 2.83Å; M63-Q126 HydrophobicContact CG-CB 4.33Å; M63-Q126 HydrophobicContact CG-CG 4.07Å; M63-Q126 HydrophobicContact SD-CB 3.73Å; M63-Q126 HydrophobicContact SD-CG 3.73Å; M63-L129 HydrophobicContact CB-CB 4.5Å; M63-L129 HydrophobicContact CB-CD1 4.15Å; M63-L129 HydrophobicContact CG-CB 3.79Å; M63-L129 HydrophobicContact CG-CD1 3.72Å; M63-L129 HydrophobicContact CG-CG 4.42Å; M63-R130 HydrophobicContact CE-CB 3.86Å; M63-A137 VanDerWaalsContact CE-C 3.4Å; M63-A137 HydrophobicContact CE-CB 3.67Å; M63-A137 WeakPolarHBondContact CE-O 3.49Å; M63-L138 CarbonylContact C-O 3.33Å; M63-L138 WeakPolarHBondContact CA-O 3.24Å; M63-P139 WeakPolarHBondContact SD-CA 3.4Å; M63-P139 HydrophobicContact SD-CB 3.61Å |
| 64 | V | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121 | 168 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | T42 T43 I66 V77 V79 V110 A137 L138 F140 T173 | T42-V64 CarbonylContact O-C 3.58Å; T42-V64 WeakPolarHBondContact O-CA 3.47Å; T43-V64 HydrophobicContact CG2-CG2 4.44Å; V64-I66 HydrophobicContact CG1-CG2 3.98Å; V64-V77 HydrophobicContact CG1-CG1 4.18Å; V64-V79 HydrophobicContact CG2-CG2 3.71Å; V64-V110 HydrophobicContact CB-CG1 4.09Å; V64-V110 HydrophobicContact CG2-CG1 4.31Å; V64-V110 HydrophobicContact CG2-CG2 4.19Å; V64-A137 WeakPolarHBondContact O-CA 3.49Å; V64-L138 PolarHBondContact N-O 2.97Å; V64-L138 PolarHBondContact O-N 3.47Å; V64-F140 HydrophobicContact CG2-CD1 3.79Å; V64-F140 HydrophobicContact CG2-CE1 3.83Å; V64-T173 HydrophobicContact CG1-CG2 3.89Å; V64-T173 HydrophobicContact CG2-CG2 3.96Å |
| 65 | L | 92.5 | Very high | 88.3 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.4 | 166.7 | -178.8 | 65.1 | 0 | 0 | 0 | 108.2 | T42 Y44 L136 A137 | T42-L65 PolarHBondContact N-O 3.49Å; T42-L65 PolarHBondContact O-N 3.47Å; Y44-L65 HydrophobicContact CE2-CB 3.7Å; L65-L136 HydrophobicContact CD1-CB 4.16Å; L65-A137 HydrophobicContact CD1-CB 4.37Å |
| 66 | I | 90.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | trans | -105.3 | 151.6 | 176.4 | 62.9 | 168.2 | 0 | 0 | 0 | 109.8 | V64 I70 I71 V77 Y111 L136 L138 | V64-I66 HydrophobicContact CG1-CG2 3.98Å; I66-I70 HydrophobicContact CB-CD1 3.98Å; I66-I70 HydrophobicContact CG2-CD1 4.37Å; I66-I71 HydrophobicContact CD1-CD1 3.98Å; I66-I71 HydrophobicContact CD1-CG1 3.98Å; I66-V77 HydrophobicContact CG2-CB 4.33Å; I66-V77 HydrophobicContact CG2-CG1 4.2Å; I66-V77 HydrophobicContact CG2-CG2 3.85Å; I66-Y111 HydrophobicContact CD1-CD2 4.1Å; I66-Y111 HydrophobicContact CD1-CG 4.09Å; I66-L136 HydrophobicContact CG1-CB 4.23Å; I66-L136 WeakPolarHBondContact CG1-O 3.33Å; I66-L136 PolarHBondContact N-O 2.86Å; I66-L136 VanDerWaalsContact N-O 3.09Å; I66-L136 WeakPolarHBondContact O-CB 3.38Å; I66-L138 HydrophobicContact CD1-CD1 3.7Å; I66-L138 HydrophobicContact CG1-CD1 4.35Å | ||
| 67 | D | 85.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 36 Ų | 36 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | trans | -84.8 | 151.5 | 171.6 | -170.5 | 17.5 | 0 | 0 | 0 | 110.4 | S69 I70 | D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 2.78Å; D67-S69 PolarHBondContact OD2-OG 2.91Å; D67-I70 WeakPolarHBondContact O-CB 3.41Å; D67-I70 PolarHBondContact O-N 2.74Å; D67-I70 VanDerWaalsContact O-N 3.14Å | ||
| 68 | Q | 84.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 36 Ų | 36 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.1 | -32.3 | 179.8 | -174.7 | 61.5 | 41.2 | 0 | 0 | 111.4 | I70 I71 D72 L136 | Q68-I70 PolarHBondContact O-N 2.87Å; Q68-I71 WeakPolarHBondContact O-CB 3.16Å; Q68-I71 PolarHBondContact O-N 2.92Å; Q68-D72 PolarHBondContact NE2-OD1 2.98Å; Q68-D72 VanDerWaalsContact NE2-OD1 3.07Å; Q68-D72 PolarHBondContact O-N 3.49Å; Q68-L136 HydrophobicContact CB-CD1 4.35Å |
| 69 | S | 82.7 | Confident | 88.7 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.1 | -34.1 | 175.2 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | D67 I71 D72 D73 | D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 2.78Å; D67-S69 PolarHBondContact OD2-OG 2.91Å; S69-I71 VanDerWaalsContact C-N 3.3Å; S69-I71 PolarHBondContact O-N 3.16Å; S69-D72 PolarHBondContact O-N 2.82Å; S69-D73 WeakPolarHBondContact O-CB 3.26Å; S69-D73 PolarHBondContact O-N 2.9Å |
| 70 | I | 81.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.3 | -64.9 | 174 | 0 | 0 | 0 | 110.9 | L39 I41 I66 D67 Q68 C74 Q75 V77 V175 | L39-I70 HydrophobicContact CD2-CB 4.31Å; L39-I70 HydrophobicContact CD2-CD1 4.07Å; L39-I70 HydrophobicContact CD2-CG1 3.2Å; I41-I70 HydrophobicContact CG2-CD1 3.52Å; I66-I70 HydrophobicContact CB-CD1 3.98Å; I66-I70 HydrophobicContact CG2-CD1 4.37Å; D67-I70 WeakPolarHBondContact O-CB 3.41Å; D67-I70 PolarHBondContact O-N 2.74Å; D67-I70 VanDerWaalsContact O-N 3.14Å; Q68-I70 PolarHBondContact O-N 2.87Å; I70-C74 PolarHBondContact O-N 3.25Å; I70-Q75 HydrophobicContact CG2-CB 4.02Å; I70-Q75 PolarHBondContact O-N 3.04Å; I70-V77 HydrophobicContact CD1-CG2 4.17Å; I70-V77 HydrophobicContact CG2-CG2 3.59Å; I70-V175 HydrophobicContact CD1-CG2 3.98Å; I70-V175 HydrophobicContact CG2-CG1 4.47Å |
| 71 | I | 82.7 | Confident | 88.8 | Confident | 41 Ų | 41 | 32.8 Ų | 32.8 | 21% | 0.21 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.5 | -47 | 179.8 | -63.5 | 175.1 | 0 | 0 | 0 | 109.2 | I66 Q68 S69 D73 C74 Y111 L136 | I66-I71 HydrophobicContact CD1-CD1 3.98Å; I66-I71 HydrophobicContact CD1-CG1 3.98Å; Q68-I71 WeakPolarHBondContact O-CB 3.16Å; Q68-I71 PolarHBondContact O-N 2.92Å; S69-I71 VanDerWaalsContact C-N 3.3Å; S69-I71 PolarHBondContact O-N 3.16Å; I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 2.79Å; I71-C74 PolarHBondContact O-N 3.49Å; I71-Y111 HydrophobicContact CD1-CE2 4.43Å; I71-Y111 HydrophobicContact CG1-CE1 4.12Å; I71-Y111 HydrophobicContact CG1-CE2 4.08Å; I71-Y111 WeakPolarHBondContact CG2-OH 3.3Å; I71-L136 HydrophobicContact CD1-CD2 3.54Å |
| 72 | D | 83.9 | Confident | 88.7 | Confident | 106 Ų | 106 | 32.4 Ų | 32.4 | 57% | 0.567 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63 | -38.1 | -177.6 | -59.3 | -15 | 0 | 0 | 0 | 111.3 | Q68 S69 C74 | Q68-D72 PolarHBondContact NE2-OD1 2.98Å; Q68-D72 VanDerWaalsContact NE2-OD1 3.07Å; Q68-D72 PolarHBondContact O-N 3.49Å; S69-D72 PolarHBondContact O-N 2.82Å; D72-C74 VanDerWaalsContact C-N 3.26Å; D72-C74 PolarHBondContact O-N 3Å |
| 73 | D | 82.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 32.4 Ų | 32.4 | 57% | 0.567 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.9 | 176.8 | -72.5 | -18.2 | 0 | 0 | 0 | 113.8 | S69 I71 Q75 | S69-D73 WeakPolarHBondContact O-CB 3.26Å; S69-D73 PolarHBondContact O-N 2.9Å; I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 2.79Å; D73-Q75 HydrophobicContact CB-CG 3.81Å; D73-Q75 PolarHBondContact O-N 2.79Å |
| 74 | C | 81.3 | Confident | 88.4 | Confident | 109 Ų | 109 | 32.6 Ų | 32.6 | 74% | 0.736 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35.3 | -178.9 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | I70 I71 D72 | I70-C74 PolarHBondContact O-N 3.25Å; I71-C74 PolarHBondContact O-N 3.49Å; D72-C74 VanDerWaalsContact C-N 3.26Å; D72-C74 PolarHBondContact O-N 3Å |
| 75 | Q | 84.9 | Confident | 88.2 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -85.8 | 153.5 | -179.6 | -55.1 | -176.5 | -62.8 | 0 | 0 | 111.4 | I70 D73 Y111 V175 N177 | I70-Q75 HydrophobicContact CG2-CB 4.02Å; I70-Q75 PolarHBondContact O-N 3.04Å; D73-Q75 HydrophobicContact CB-CG 3.81Å; D73-Q75 PolarHBondContact O-N 2.79Å; Q75-Y111 VanDerWaalsContact O-CD1 3.28Å; Q75-Y111 WeakPolarHBondContact O-CD1 3.3Å; Q75-V175 HydrophobicContact CB-CG1 3.64Å; Q75-V175 HydrophobicContact CG-CG1 4.27Å; Q75-N177 WeakPolarHBondContact CG-OD1 3.42Å; Q75-N177 PolarHBondContact NE2-OD1 3.37Å | ||
| 76 | C | 88.3 | Confident | 87.6 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 30% | 0.304 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 142.8 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 111 | Y111 V175 T176 | C76-Y111 CarbonylContact C-O 3.56Å; C76-Y111 WeakPolarHBondContact CA-O 3.48Å; C76-V175 CarbonylContact O-C 3.53Å; C76-V175 WeakPolarHBondContact O-CA 3.4Å; C76-T176 WeakPolarHBondContact CA-O 3.46Å; C76-T176 HydrophobicContact CB-CG2 4.04Å; C76-T176 WeakPolarHBondContact CB-O 3.4Å; C76-T176 PolarHBondContact N-O 2.89Å; C76-T176 PolarHBondContact O-N 2.94Å |
| 77 | V | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | V64 I66 I70 V110 Y111 T173 V175 | V64-V77 HydrophobicContact CG1-CG1 4.18Å; I66-V77 HydrophobicContact CG2-CB 4.33Å; I66-V77 HydrophobicContact CG2-CG1 4.2Å; I66-V77 HydrophobicContact CG2-CG2 3.85Å; I70-V77 HydrophobicContact CD1-CG2 4.17Å; I70-V77 HydrophobicContact CG2-CG2 3.59Å; V77-V110 HydrophobicContact CG1-CB 4.43Å; V77-V110 PolarHBondContact O-N 2.68Å; V77-Y111 PolarHBondContact N-O 3.07Å; V77-Y111 PolarHBondContact O-N 3.15Å; V77-Y111 VanDerWaalsContact O-N 3.16Å; V77-T173 HydrophobicContact CG1-CG2 3.98Å; V77-V175 HydrophobicContact CG2-CG2 4.32Å |
| 78 | V | 92.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.7 | -176.9 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | T80 H107 V108 N109 T173 Y174 T176 | V78-T80 HydrophobicContact CG1-CG2 4Å; V78-H107 HydrophobicContact CG1-CB 4.17Å; V78-V108 WeakPolarHBondContact CA-O 3.37Å; V78-N109 WeakPolarHBondContact CG2-OD1 3.45Å; V78-T173 CarbonylContact O-C 3.58Å; V78-T173 WeakPolarHBondContact O-CA 3.44Å; V78-Y174 HydrophobicContact CB-CE1 4.33Å; V78-Y174 HydrophobicContact CB-CE2 3.97Å; V78-Y174 HydrophobicContact CG1-CE1 4.45Å; V78-Y174 HydrophobicContact CG2-CE2 4.33Å; V78-Y174 PolarHBondContact N-O 2.84Å; V78-Y174 PolarHBondContact O-N 2.76Å; V78-T176 HydrophobicContact CG2-CG2 4.08Å |
| 79 | V | 94.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.3 | 166.2 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | V64 H107 V108 V110 F140 F142 L171 K172 T173 | V64-V79 HydrophobicContact CG2-CG2 3.71Å; V79-H107 CarbonylContact O-C 3.57Å; V79-H107 WeakPolarHBondContact O-CA 3.5Å; V79-V108 PolarHBondContact N-O 2.96Å; V79-V108 PolarHBondContact O-N 2.7Å; V79-V110 HydrophobicContact CB-CG2 4.23Å; V79-V110 HydrophobicContact CG2-CG2 3.42Å; V79-V110 VanDerWaalsContact CG2-CG2 3.42Å; V79-F140 HydrophobicContact CG1-CD2 4.23Å; V79-F140 HydrophobicContact CG1-CE2 4.28Å; V79-F140 HydrophobicContact CG2-CD1 4.18Å; V79-F140 HydrophobicContact CG2-CG 4.29Å; V79-F142 HydrophobicContact CB-CE2 4.23Å; V79-F142 HydrophobicContact CB-CZ 4.31Å; V79-F142 HydrophobicContact CG1-CE2 3.62Å; V79-F142 HydrophobicContact CG1-CZ 4.01Å; V79-F142 WeakPolarHBondContact O-CZ 3.48Å; V79-L171 HydrophobicContact CG1-CD1 3.54Å; V79-L171 HydrophobicContact CG1-CD2 4.33Å; V79-L171 HydrophobicContact CG1-CG 3.85Å; V79-K172 CarbonylContact C-O 3.54Å; V79-K172 WeakPolarHBondContact CA-O 3.18Å; V79-T173 HydrophobicContact CG2-CG2 3.8Å |
| 80 | T | 94.6 | Very high | 82.6 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.3 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 110 | V78 E106 H107 L171 K172 Y174 | V78-T80 HydrophobicContact CG1-CG2 4Å; T80-E106 CarbonylContact C-O 3.58Å; T80-E106 WeakPolarHBondContact CA-O 3.38Å; T80-H107 HydrophobicContact CG2-CB 3.88Å; T80-L171 WeakPolarHBondContact O-CA 3.38Å; T80-K172 PolarHBondContact N-O 2.87Å; T80-K172 PolarHBondContact O-N 3.41Å; T80-K172 PolarHBondContact OG1-O 2.93Å; T80-Y174 HydrophobicContact CG2-CE1 3.6Å |
| 81 | L | 95.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.2 | 168.9 | 178.6 | 59.6 | 0 | 0 | 0 | 108.6 | I60 L104 L105 E106 F142 L144 Y169 L171 I193 | I60-L81 HydrophobicContact CD1-CD1 4.24Å; I60-L81 HydrophobicContact CD1-CD2 3.58Å; L81-L104 HydrophobicContact CD2-CD2 4.42Å; L81-L105 WeakPolarHBondContact O-CA 3.45Å; L81-E106 PolarHBondContact N-O 2.52Å; L81-E106 PolarHBondContact O-N 2.95Å; L81-F142 HydrophobicContact CB-CD1 3.6Å; L81-F142 HydrophobicContact CB-CD2 4.2Å; L81-F142 HydrophobicContact CB-CE1 3.68Å; L81-F142 HydrophobicContact CB-CE2 4.29Å; L81-F142 HydrophobicContact CB-CG 3.87Å; L81-F142 HydrophobicContact CB-CZ 4.03Å; L81-F142 HydrophobicContact CD2-CB 3.63Å; L81-F142 HydrophobicContact CD2-CD1 4.03Å; L81-F142 HydrophobicContact CD2-CG 3.83Å; L81-F142 HydrophobicContact CG-CD1 4.49Å; L81-L144 HydrophobicContact CD2-CD1 4.47Å; L81-L144 HydrophobicContact CD2-CD2 3.66Å; L81-L144 HydrophobicContact CD2-CG 4.12Å; L81-Y169 HydrophobicContact CD1-CD1 4.26Å; L81-L171 HydrophobicContact CB-CD1 4.21Å; L81-L171 HydrophobicContact CD1-CD1 4.26Å; L81-I193 HydrophobicContact CD1-CD1 3.7Å |
| 82 | H | 93 | Very high | 79.2 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.9 | -177.6 | -167.9 | -148.1 | 0 | 0 | 0 | 110.8 | R100 D102 L104 L105 Y169 E170 | H82-R100 PolarHBondContact CE1-NH2 2.93Å; H82-R100 PolarHBondContact ND1-NH2 2.85Å; H82-D102 VanDerWaalsContact CE1-CG 3.48Å; H82-D102 IonicContact CE1-OD1 3.17Å; H82-D102 PolarHBondContact CE1-OD1 3.37Å; H82-D102 IonicContact CE1-OD2 3.61Å; H82-D102 IonicContact NE2-OD1 3.52Å; H82-D102 PolarHBondContact NE2-OD1 3.15Å; H82-D102 IonicContact NE2-OD2 3.25Å; H82-D102 PolarHBondContact NE2-OD2 2.78Å; H82-L104 CarbonylContact C-O 3.59Å; H82-L104 WeakPolarHBondContact CA-O 3.39Å; H82-L104 PolarHBondContact CD2-O 3.25Å; H82-L105 HydrophobicContact CB-CD1 4.14Å; H82-Y169 CarbonylContact O-C 3.6Å; H82-Y169 WeakPolarHBondContact O-CA 3.33Å; H82-E170 PolarHBondContact N-O 3.23Å; H82-E170 PolarHBondContact O-N 2.93Å |
| 83 | S | 92.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.2 | 167.5 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | L103 L104 D168 | S83-L103 PolarHBondContact O-N 2.72Å; S83-L104 PolarHBondContact N-O 2.82Å; S83-L104 PolarHBondContact O-N 2.94Å; S83-D168 WeakPolarHBondContact CA-O 3.44Å |
| 84 | A | 89.4 | Confident | 75.5 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R100 K101 D168 | A84-R100 HydrophobicContact CB-CG 4.05Å; A84-K101 CarbonylContact C-O 3.56Å; A84-K101 VanDerWaalsContact CA-O 3.31Å; A84-K101 WeakPolarHBondContact CA-O 3.4Å; A84-D168 PolarHBondContact N-O 2.81Å; A84-D168 VanDerWaalsContact N-O 3.15Å; A84-D168 PolarHBondContact O-N 3Å; A84-D168 VanDerWaalsContact O-N 3.15Å |
| 85 | F | 87.9 | Confident | 74 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.7 | 164.3 | -179 | -91.1 | 0 | 0 | 0 | 109.3 | F99 R100 K101 L103 C165 G166 V167 I267 L269 I345 | F85-F99 HydrophobicContact CD1-CD1 4.26Å; F85-F99 HydrophobicContact CD1-CE1 4.31Å; F85-F99 HydrophobicContact CE1-CD1 4.48Å; F85-R100 WeakPolarHBondContact O-CA 3.02Å; F85-K101 HydrophobicContact CB-CB 4.48Å; F85-K101 PolarHBondContact N-O 2.87Å; F85-K101 PolarHBondContact O-N 2.79Å; F85-L103 HydrophobicContact CB-CD1 4.25Å; F85-L103 HydrophobicContact CB-CG 4.44Å; F85-C165 WeakPolarHBondContact CZ-SG 3.33Å; F85-G166 CarbonylContact C-O 3.47Å; F85-G166 WeakPolarHBondContact CA-O 3.05Å; F85-V167 HydrophobicContact CB-CG2 4.49Å; F85-V167 HydrophobicContact CD2-CG2 3.87Å; F85-I267 HydrophobicContact CE2-CG2 4.29Å; F85-I267 HydrophobicContact CZ-CG2 3.73Å; F85-L269 HydrophobicContact CB-CD1 3.57Å; F85-L269 HydrophobicContact CD1-CD1 3.17Å; F85-L269 HydrophobicContact CD2-CD1 3.37Å; F85-L269 HydrophobicContact CE1-CD1 3.53Å; F85-L269 HydrophobicContact CE2-CD1 3.73Å; F85-L269 HydrophobicContact CG-CD1 3.06Å; F85-L269 HydrophobicContact CZ-CD1 3.79Å; F85-I345 HydrophobicContact CE2-CD1 4.02Å; F85-I345 HydrophobicContact CE2-CG1 3.78Å |
| 86 | C | 81.9 | Confident | 72.3 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.1 | 177.4 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | C165 G166 | C86-C165 CarbonylContact O-C 3.52Å; C86-C165 VanDerWaalsContact O-CA 3.28Å; C86-C165 WeakPolarHBondContact O-CA 3.24Å; C86-G166 PolarHBondContact N-O 2.73Å; C86-G166 PolarHBondContact O-N 2.94Å |
| 87 | Y | 74.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 60 Ų | 60 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.3 | 174 | -179.8 | -91.6 | 0 | 0 | 0 | 109.5 | F99 C165 | Y87-F99 HydrophobicContact CD1-CB 4.44Å; Y87-F99 PolarHBondContact N-O 2.74Å; Y87-F99 PolarHBondContact O-N 2.85Å; Y87-F99 VanDerWaalsContact O-O 3.05Å; Y87-C165 HydrophobicContact CD2-CB 4.02Å |
| 88 | G | 61.1 | Low | 69.2 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | trans | 140.8 | 147.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | A162 | G88-A162 WeakPolarHBondContact O-CB 3.46Š| ||
| 89 | R | 54.6 | Low | 68 | Low | 106 Ų | 106 | 68.2 Ų | 68.2 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | trans | -74.2 | 136.2 | 168.4 | -79.7 | 176.8 | 172.9 | 174.1 | -7.7 | 110.1 | D91 D159 D160 A162 | R89-D91 PolarHBondContact O-N 3.19Å; R89-D159 PolarHBondContact NH2-O 3.26Å; R89-D160 IonicContact CZ-OD1 3.04Å; R89-D160 IonicContact NE-OD1 2.68Å; R89-D160 PolarHBondContact NE-OD1 2.85Å; R89-D160 IonicContact NH2-OD1 2.93Å; R89-D160 PolarHBondContact NH2-OD1 2.9Å; R89-D160 VanDerWaalsContact NH2-OD1 3.08Å; R89-A162 HydrophobicContact CB-CB 4.26Å; R89-A162 HydrophobicContact CG-CB 3.75Å | ||
| 90 | E | 48.6 | Very low | 67.3 | Low | 133 Ų | 133 | 74.4 Ų | 74.4 | 62% | 0.621 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -75.6 | -13.5 | 173 | -67.2 | -174.2 | 170.9 | 0 | 0 | 112 | ||
| 91 | D | 45.3 | Very low | 66.9 | Low | 111 Ų | 111 | 76.1 Ų | 76.1 | 59% | 0.594 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -104.6 | 11.2 | -160.7 | -53.2 | -7.9 | 0 | 0 | 0 | 115.3 | R89 S161 | R89-D91 PolarHBondContact O-N 3.19Å; D91-S161 WeakPolarHBondContact OD2-CB 3.31Å; D91-S161 PolarHBondContact OD2-OG 3.3Å |
| 92 | L | 46.4 | Very low | 66.5 | Low | 105 Ų | 105 | 80.2 Ų | 80.2 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | trans | -118.5 | 52.6 | -179.8 | -87.9 | 163.5 | 0 | 0 | 0 | 112.5 | V94 L95 G96 | L92-V94 PolarHBondContact O-N 3.43Å; L92-L95 PolarHBondContact O-N 2.76Å; L92-G96 WeakPolarHBondContact O-CA 3.36Å; L92-G96 PolarHBondContact O-N 3.06Å | ||
| 93 | D | 44.3 | Very low | 66.2 | Low | 139 Ų | 139 | 81.4 Ų | 81.4 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 72.3 | 164.3 | -87.6 | -16.7 | 0 | 0 | 0 | 111.3 | ||
| 94 | V | 44.5 | Very low | 66.1 | Low | 143 Ų | 143 | 83 Ų | 83 | 87% | 0.867 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | -19.7 | 148.2 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | L92 | L92-V94 PolarHBondContact O-N 3.43Š|
| 95 | L | 51.1 | Low | 66.3 | Low | 161 Ų | 161 | 88 Ų | 88 | 84% | 0.843 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | -7.7 | 159.7 | -88.9 | 162.7 | 0 | 0 | 0 | 114.1 | L92 L97 | L92-L95 PolarHBondContact O-N 2.76Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 WeakPolarHBondContact O-CG 3.45Å; L95-L97 PolarHBondContact O-N 2.82Å |
| 96 | G | 47.6 | Very low | 66.5 | Low | 35 Ų | 35 | 91 Ų | 91 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | trans | 59.2 | 15 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | L92 Q98 | L92-G96 WeakPolarHBondContact O-CA 3.36Å; L92-G96 PolarHBondContact O-N 3.06Å; G96-Q98 PolarHBondContact O-N 2.83Å | ||
| 97 | L | 53.7 | Low | 67 | Low | 154 Ų | 154 | 95.5 Ų | 95.5 | 81% | 0.806 | 48% | 0.481 | S | S | * | . | trans | -77.1 | 87.2 | -172.5 | -66.8 | 173.1 | 0 | 0 | 0 | 111.9 | L95 F99 | L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 WeakPolarHBondContact O-CG 3.45Å; L95-L97 PolarHBondContact O-N 2.82Å; L97-F99 PolarHBondContact O-N 2.83Å | ||
| 98 | Q | 61.2 | Low | 67.9 | Low | 123 Ų | 123 | 91.3 Ų | 91.3 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | trans | -57.9 | 107.9 | 150 | -179.8 | 175.6 | 33.5 | 0 | 0 | 107.1 | G96 | G96-Q98 PolarHBondContact O-N 2.83Š| ||
| 99 | F | 67.7 | Low | 69.3 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 26% | 0.259 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.9 | 177.6 | -174.4 | -95.4 | 0 | 0 | 0 | 109.3 | F85 Y87 L97 K101 F270 | F85-F99 HydrophobicContact CD1-CD1 4.26Å; F85-F99 HydrophobicContact CD1-CE1 4.31Å; F85-F99 HydrophobicContact CE1-CD1 4.48Å; Y87-F99 HydrophobicContact CD1-CB 4.44Å; Y87-F99 PolarHBondContact N-O 2.74Å; Y87-F99 PolarHBondContact O-N 2.85Å; Y87-F99 VanDerWaalsContact O-O 3.05Å; L97-F99 PolarHBondContact O-N 2.83Å; F99-K101 HydrophobicContact CE1-CB 3.63Å; F99-K101 HydrophobicContact CZ-CB 3.74Å; F99-F270 AromaticContact CE1-CD2 3.69Å; F99-F270 HydrophobicContact CE1-CD2 3.69Å; F99-F270 HydrophobicContact CE1-CE2 4.19Å; F99-F270 AromaticContact CE2-CD2 3.61Å; F99-F270 HydrophobicContact CE2-CD2 3.61Å; F99-F270 AromaticContact CE2-CE2 3.78Å; F99-F270 HydrophobicContact CE2-CE2 3.78Å; F99-F270 HydrophobicContact CE2-CG 4.24Å; F99-F270 AromaticContact CZ-CD2 3.07Å; F99-F270 HydrophobicContact CZ-CD2 3.07Å; F99-F270 AromaticContact CZ-CE2 3.24Å; F99-F270 HydrophobicContact CZ-CE2 3.24Å; F99-F270 HydrophobicContact CZ-CG 4.08Å; F99-F270 HydrophobicContact CZ-CZ 4.32Å |
| 100 | R | 79.6 | Confident | 71.1 | Confident | 129 Ų | 129 | 88.3 Ų | 88.3 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.6 | 172.1 | -176.8 | -175.3 | -177.9 | 156.4 | 10.7 | 108.2 | H82 A84 F85 D102 | H82-R100 PolarHBondContact CE1-NH2 2.93Å; H82-R100 PolarHBondContact ND1-NH2 2.85Å; A84-R100 HydrophobicContact CB-CG 4.05Å; F85-R100 WeakPolarHBondContact O-CA 3.02Å; R100-D102 IonicContact NE-OD1 3.96Å; R100-D102 PolarHBondContact NE-OD1 3.33Å |
| 101 | K | 84.6 | Confident | 73 | Confident | 48 Ų | 48 | 85 Ų | 85 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.8 | 168.7 | -171.6 | 180 | -177.5 | -177.7 | 0 | 108.2 | A84 F85 F99 L103 L269 F270 E341 | A84-K101 CarbonylContact C-O 3.56Å; A84-K101 VanDerWaalsContact CA-O 3.31Å; A84-K101 WeakPolarHBondContact CA-O 3.4Å; F85-K101 HydrophobicContact CB-CB 4.48Å; F85-K101 PolarHBondContact N-O 2.87Å; F85-K101 PolarHBondContact O-N 2.79Å; F99-K101 HydrophobicContact CE1-CB 3.63Å; F99-K101 HydrophobicContact CZ-CB 3.74Å; K101-L103 HydrophobicContact CD-CD2 4.16Å; K101-L103 HydrophobicContact CG-CD2 4.3Å; K101-L103 PolarHBondContact O-N 3.09Å; K101-L269 HydrophobicContact CD-CD2 3.41Å; K101-L269 VanDerWaalsContact CD-CD2 3.41Å; K101-F270 HydrophobicContact CD-CE2 4.22Å; K101-E341 IonicContact NZ-OE2 3.25Å |
| 102 | D | 87.3 | Confident | 75.1 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.3 | 170.7 | -66.3 | -19.5 | 0 | 0 | 0 | 108.2 | H82 R100 | H82-D102 VanDerWaalsContact CE1-CG 3.48Å; H82-D102 IonicContact CE1-OD1 3.17Å; H82-D102 PolarHBondContact CE1-OD1 3.37Å; H82-D102 IonicContact CE1-OD2 3.61Å; H82-D102 IonicContact NE2-OD1 3.52Å; H82-D102 PolarHBondContact NE2-OD1 3.15Å; H82-D102 IonicContact NE2-OD2 3.25Å; H82-D102 PolarHBondContact NE2-OD2 2.78Å; R100-D102 IonicContact NE-OD1 3.96Å; R100-D102 PolarHBondContact NE-OD1 3.33Å |
| 103 | L | 87.1 | Confident | 77.1 | Confident | 47 Ų | 47 | 81.6 Ų | 81.6 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -35.3 | -179.2 | -61 | 177.8 | 0 | 0 | 0 | 111.1 | S83 F85 K101 A149 V167 | S83-L103 PolarHBondContact O-N 2.72Å; F85-L103 HydrophobicContact CB-CD1 4.25Å; F85-L103 HydrophobicContact CB-CG 4.44Å; K101-L103 HydrophobicContact CD-CD2 4.16Å; K101-L103 HydrophobicContact CG-CD2 4.3Å; K101-L103 PolarHBondContact O-N 3.09Å; L103-A149 HydrophobicContact CD1-CB 3.95Å; L103-V167 HydrophobicContact CD1-CG1 3.96Å; L103-V167 HydrophobicContact CD1-CG2 4.06Å |
| 104 | L | 90.3 | Very high | 79.1 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 134.5 | 178.8 | -178.4 | 72.3 | 0 | 0 | 0 | 109.5 | L81 H82 S83 E106 L144 T148 | L81-L104 HydrophobicContact CD2-CD2 4.42Å; H82-L104 CarbonylContact C-O 3.59Å; H82-L104 WeakPolarHBondContact CA-O 3.39Å; H82-L104 PolarHBondContact CD2-O 3.25Å; S83-L104 PolarHBondContact N-O 2.82Å; S83-L104 PolarHBondContact O-N 2.94Å; L104-E106 HydrophobicContact CD1-CG 3.96Å; L104-E106 HydrophobicContact CG-CG 4.21Å; L104-L144 HydrophobicContact CD2-CD2 3.22Å; L104-T148 HydrophobicContact CD2-CG2 4.4Å |
| 105 | L | 92.4 | Very high | 81.1 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 56% | 0.56 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 106.2 | 168.3 | 179.6 | 64.7 | 0 | 0 | 0 | 109.4 | L81 H82 | L81-L105 WeakPolarHBondContact O-CA 3.45Å; H82-L105 HydrophobicContact CB-CD1 4.14Å |
| 106 | E | 92.7 | Very high | 82.7 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.1 | 173.5 | -66.3 | -167.8 | 172.3 | 0 | 0 | 110.5 | T80 L81 L104 F142 | T80-E106 CarbonylContact C-O 3.58Å; T80-E106 WeakPolarHBondContact CA-O 3.38Å; L81-E106 PolarHBondContact N-O 2.52Å; L81-E106 PolarHBondContact O-N 2.95Å; L104-E106 HydrophobicContact CD1-CG 3.96Å; L104-E106 HydrophobicContact CG-CG 4.21Å; E106-F142 HydrophobicContact CB-CD1 3.84Å; E106-F142 HydrophobicContact CB-CE1 3.76Å |
| 107 | H | 92.4 | Very high | 84.5 | Confident | 110 Ų | 110 | 73 Ų | 73 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.9 | 177.7 | 60.9 | -83.6 | 0 | 0 | 0 | 110.5 | V78 V79 T80 R116 | V78-H107 HydrophobicContact CG1-CB 4.17Å; V79-H107 CarbonylContact O-C 3.57Å; V79-H107 WeakPolarHBondContact O-CA 3.5Å; T80-H107 HydrophobicContact CG2-CB 3.88Å; H107-R116 PolarHBondContact O-NH2 3.1Å |
| 108 | V | 92.6 | Very high | 85.7 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.8 | 176.7 | 166.2 | 0 | 0 | 0 | 0 | 108 | V78 V79 V110 D114 F117 F140 F142 | V78-V108 WeakPolarHBondContact CA-O 3.37Å; V79-V108 PolarHBondContact N-O 2.96Å; V79-V108 PolarHBondContact O-N 2.7Å; V108-V110 HydrophobicContact CG1-CG2 4.48Å; V108-V110 PolarHBondContact O-N 2.79Å; V108-D114 HydrophobicContact CG1-CB 4.32Å; V108-F117 HydrophobicContact CB-CE2 4.29Å; V108-F117 HydrophobicContact CG1-CD2 4.2Å; V108-F117 HydrophobicContact CG1-CE2 3.55Å; V108-F117 HydrophobicContact CG2-CE2 3.74Å; V108-F117 HydrophobicContact CG2-CZ 4.02Å; V108-F140 HydrophobicContact CG1-CB 4.19Å; V108-F142 HydrophobicContact CB-CE1 4.42Å; V108-F142 HydrophobicContact CB-CZ 3.99Å; V108-F142 HydrophobicContact CG2-CD1 4.36Å; V108-F142 HydrophobicContact CG2-CE1 3.75Å; V108-F142 HydrophobicContact CG2-CE2 4.4Å; V108-F142 HydrophobicContact CG2-CZ 3.76Å |
| 109 | N | 91.8 | Very high | 86.5 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.6 | 170.6 | -63.7 | -23.8 | 0 | 0 | 0 | 108.4 | V78 P112 D114 | V78-N109 WeakPolarHBondContact CG2-OD1 3.45Å; N109-P112 CarbonylContact C-O 3.45Å; N109-P112 WeakPolarHBondContact CB-O 3.4Å; N109-D114 HydrophobicContact CB-CB 4.39Å; N109-D114 WeakPolarHBondContact O-CB 3.42Å; N109-D114 PolarHBondContact O-N 3.16Å |
| 110 | V | 91.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -39 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | V64 V77 V79 V108 P113 L138 F140 | V64-V110 HydrophobicContact CB-CG1 4.09Å; V64-V110 HydrophobicContact CG2-CG1 4.31Å; V64-V110 HydrophobicContact CG2-CG2 4.19Å; V77-V110 HydrophobicContact CG1-CB 4.43Å; V77-V110 PolarHBondContact O-N 2.68Å; V79-V110 HydrophobicContact CB-CG2 4.23Å; V79-V110 HydrophobicContact CG2-CG2 3.42Å; V79-V110 VanDerWaalsContact CG2-CG2 3.42Å; V108-V110 HydrophobicContact CG1-CG2 4.48Å; V108-V110 PolarHBondContact O-N 2.79Å; V110-P113 WeakPolarHBondContact O-CA 3.39Å; V110-L138 HydrophobicContact CG1-CB 3.36Å; V110-L138 HydrophobicContact CG1-CD1 4.15Å; V110-L138 HydrophobicContact CG1-CG 4.4Å; V110-L138 WeakPolarHBondContact O-CD1 3.4Å; V110-F140 HydrophobicContact CG2-CB 3.98Å |
| 111 | Y | 89.8 | Confident | 88 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.2 | 170.6 | -171.1 | -97.3 | 0 | 0 | 0 | 110 | I66 I71 Q75 C76 V77 L138 | I66-Y111 HydrophobicContact CD1-CD2 4.1Å; I66-Y111 HydrophobicContact CD1-CG 4.09Å; I71-Y111 HydrophobicContact CD1-CE2 4.43Å; I71-Y111 HydrophobicContact CG1-CE1 4.12Å; I71-Y111 HydrophobicContact CG1-CE2 4.08Å; I71-Y111 WeakPolarHBondContact CG2-OH 3.3Å; Q75-Y111 VanDerWaalsContact O-CD1 3.28Å; Q75-Y111 WeakPolarHBondContact O-CD1 3.3Å; C76-Y111 CarbonylContact C-O 3.56Å; C76-Y111 WeakPolarHBondContact CA-O 3.48Å; V77-Y111 PolarHBondContact N-O 3.07Å; V77-Y111 PolarHBondContact O-N 3.15Å; V77-Y111 VanDerWaalsContact O-N 3.16Å; Y111-L138 HydrophobicContact CD2-CD1 3.88Å; Y111-L138 HydrophobicContact CG-CD1 4.37Å |
| 112 | P | 88.7 | Confident | 88.3 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -56.6 | 148.5 | -15.4 | 27.3 | -34.9 | 0 | 0 | 0 | 111 | N109 D114 | N109-P112 CarbonylContact C-O 3.45Å; N109-P112 WeakPolarHBondContact CB-O 3.4Å; P112-D114 PolarHBondContact O-N 3.15Å |
| 113 | P | 88.2 | Confident | 88.4 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.8 | -177.8 | -26.5 | 35 | 0 | 0 | 0 | 112.5 | V110 | V110-P113 WeakPolarHBondContact O-CA 3.39Š|
| 114 | D | 86.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 127.2 | 178.9 | -164.1 | -50.8 | 0 | 0 | 0 | 111 | V108 N109 P112 R116 F117 | V108-D114 HydrophobicContact CG1-CB 4.32Å; N109-D114 HydrophobicContact CB-CB 4.39Å; N109-D114 WeakPolarHBondContact O-CB 3.42Å; N109-D114 PolarHBondContact O-N 3.16Å; P112-D114 PolarHBondContact O-N 3.15Å; D114-R116 PolarHBondContact O-N 2.94Å; D114-R116 VanDerWaalsContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CB 3.31Å; D114-R116 VanDerWaalsContact OD1-CG 3.26Å; D114-R116 WeakPolarHBondContact OD1-CG 3.43Å; D114-R116 IonicContact OD1-CZ 2.72Å; D114-R116 PolarHBondContact OD1-N 3.09Å; D114-R116 IonicContact OD1-NE 3.89Å; D114-R116 PolarHBondContact OD1-NE 3.12Å; D114-R116 IonicContact OD2-CZ 3.23Å; D114-R116 IonicContact OD2-NE 3.65Å; D114-R116 PolarHBondContact OD2-NE 3.03Å; D114-R116 VanDerWaalsContact OD2-NE 3.15Å; D114-R116 IonicContact OD2-NH2 3.98Å; D114-R116 PolarHBondContact OD2-NH2 2.83Å; D114-F117 HydrophobicContact CB-CD2 3.92Å; D114-F117 HydrophobicContact CB-CE2 4.23Å; D114-F117 PolarHBondContact O-N 3.42Å; D114-F117 VanDerWaalsContact O-N 3.09Å |
| 115 | P | 86.2 | Confident | 88.6 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -60 | -22.8 | -178.3 | 24.4 | -35.2 | 0 | 0 | 0 | 113.3 | F117 N118 | P115-F117 PolarHBondContact O-N 3.17Å; P115-F117 VanDerWaalsContact O-N 3.16Å; P115-N118 WeakPolarHBondContact O-CB 3.43Å; P115-N118 PolarHBondContact O-N 2.84Å; P115-N118 VanDerWaalsContact O-N 3.15Å |
| 116 | R | 85.2 | Confident | 88.6 | Confident | 152 Ų | 152 | 71.8 Ų | 71.8 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -59.8 | -23.4 | 176.7 | -68.3 | 179.4 | -69.1 | 171.2 | -1.2 | 113.5 | H107 D114 | H107-R116 PolarHBondContact O-NH2 3.1Å; D114-R116 PolarHBondContact O-N 2.94Å; D114-R116 VanDerWaalsContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CB 3.31Å; D114-R116 VanDerWaalsContact OD1-CG 3.26Å; D114-R116 WeakPolarHBondContact OD1-CG 3.43Å; D114-R116 IonicContact OD1-CZ 2.72Å; D114-R116 PolarHBondContact OD1-N 3.09Å; D114-R116 IonicContact OD1-NE 3.89Å; D114-R116 PolarHBondContact OD1-NE 3.12Å; D114-R116 IonicContact OD2-CZ 3.23Å; D114-R116 IonicContact OD2-NE 3.65Å; D114-R116 PolarHBondContact OD2-NE 3.03Å; D114-R116 VanDerWaalsContact OD2-NE 3.15Å; D114-R116 IonicContact OD2-NH2 3.98Å; D114-R116 PolarHBondContact OD2-NH2 2.83Å |
| 117 | F | 84.8 | Confident | 88.6 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -104.6 | 6.7 | -178.7 | -55.4 | -57.8 | 0 | 0 | 0 | 113.4 | V108 D114 P115 G119 R120 W141 | V108-F117 HydrophobicContact CB-CE2 4.29Å; V108-F117 HydrophobicContact CG1-CD2 4.2Å; V108-F117 HydrophobicContact CG1-CE2 3.55Å; V108-F117 HydrophobicContact CG2-CE2 3.74Å; V108-F117 HydrophobicContact CG2-CZ 4.02Å; D114-F117 HydrophobicContact CB-CD2 3.92Å; D114-F117 HydrophobicContact CB-CE2 4.23Å; D114-F117 PolarHBondContact O-N 3.42Å; D114-F117 VanDerWaalsContact O-N 3.09Å; P115-F117 PolarHBondContact O-N 3.17Å; P115-F117 VanDerWaalsContact O-N 3.16Å; F117-G119 PolarHBondContact O-N 2.86Å; F117-G119 VanDerWaalsContact O-N 3.12Å; F117-R120 HydrophobicContact CB-CB 4.39Å; F117-R120 WeakPolarHBondContact O-CB 3.49Å; F117-R120 PolarHBondContact O-N 2.84Å; F117-W141 HydrophobicContact CB-CE3 3.98Å; F117-W141 HydrophobicContact CB-CH2 4.4Å; F117-W141 HydrophobicContact CB-CZ3 3.55Å; F117-W141 HydrophobicContact CD1-CD2 4.31Å; F117-W141 AromaticContact CD1-CE3 3.57Å; F117-W141 HydrophobicContact CD1-CE3 3.57Å; F117-W141 HydrophobicContact CD1-CZ3 4.06Å; F117-W141 AromaticContact CD2-CE3 3.81Å; F117-W141 HydrophobicContact CD2-CE3 3.81Å; F117-W141 HydrophobicContact CD2-CZ3 4.03Å; F117-W141 HydrophobicContact CE1-CB 4.07Å; F117-W141 HydrophobicContact CE1-CD2 4.47Å; F117-W141 AromaticContact CE1-CE3 3.94Å; F117-W141 HydrophobicContact CE1-CE3 3.94Å; F117-W141 HydrophobicContact CE2-CE3 4.18Å; F117-W141 AromaticContact CG-CE3 3.49Å; F117-W141 HydrophobicContact CG-CE3 3.49Å; F117-W141 VanDerWaalsContact CG-CE3 3.49Å; F117-W141 AromaticContact CG-CZ3 3.6Å; F117-W141 HydrophobicContact CG-CZ3 3.6Å; F117-W141 HydrophobicContact CZ-CB 4.25Å; F117-W141 HydrophobicContact CZ-CE3 4.23Å |
| 118 | N | 78.4 | Confident | 88.4 | Confident | 126 Ų | 126 | 69.5 Ų | 69.5 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 117.8 | 173.2 | -76.8 | -13.2 | 0 | 0 | 0 | 109.9 | P115 | P115-N118 WeakPolarHBondContact O-CB 3.43Å; P115-N118 PolarHBondContact O-N 2.84Å; P115-N118 VanDerWaalsContact O-N 3.15Å |
| 119 | G | 78.4 | Confident | 88.3 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 85% | 0.845 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F117 K121 | F117-G119 PolarHBondContact O-N 2.86Å; F117-G119 VanDerWaalsContact O-N 3.12Å; G119-K121 PolarHBondContact O-N 3.19Å |
| 120 | R | 89.2 | Confident | 88.3 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -67 | 127 | 172.4 | -172.8 | 170.3 | -177.7 | 147.7 | 5.1 | 109.3 | F117 L122 W141 E143 | F117-R120 HydrophobicContact CB-CB 4.39Å; F117-R120 WeakPolarHBondContact O-CB 3.49Å; F117-R120 PolarHBondContact O-N 2.84Å; R120-L122 PolarHBondContact O-N 3.11Å; R120-W141 HydrophobicContact CG-CZ2 4.31Å; R120-E143 IonicContact CZ-OE1 3Å; R120-E143 IonicContact NH1-OE1 3.69Å; R120-E143 PolarHBondContact NH1-OE1 3.05Å; R120-E143 IonicContact NH2-OE1 3.62Å; R120-E143 PolarHBondContact NH2-OE1 2.69Å |
| 121 | K | 89.8 | Confident | 88.2 | Confident | 189 Ų | 189 | 80.1 Ų | 80.1 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 135.3 | 174.1 | -68.1 | -174.1 | 178.4 | -177 | 0 | 109.6 | G119 | G119-K121 PolarHBondContact O-N 3.19Š|
| 122 | L | 90.6 | Very high | 88.2 | Confident | 40 Ų | 40 | 82 Ų | 82 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 145.6 | 173.6 | -65.2 | 179.7 | 0 | 0 | 0 | 109.5 | R120 Q126 E127 P139 W141 | R120-L122 PolarHBondContact O-N 3.11Å; L122-Q126 HydrophobicContact CB-CB 4.12Å; L122-Q126 HydrophobicContact CD2-CB 4.23Å; L122-E127 HydrophobicContact CB-CG 3.53Å; L122-E127 HydrophobicContact CD1-CG 4.17Å; L122-E127 HydrophobicContact CG-CG 4.49Å; L122-P139 HydrophobicContact CD2-CB 3.79Å; L122-P139 HydrophobicContact CD2-CG 3.71Å; L122-W141 HydrophobicContact CD2-CH2 4.05Å; L122-W141 HydrophobicContact CD2-CZ2 3.96Å |
| 123 | T | 90.9 | Very high | 88.2 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 25% | 0.245 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 157.3 | 169.6 | 69.6 | 0 | 0 | 0 | 0 | 109.7 | D61 L125 Q126 E127 | D61-T123 HydrophobicContact CB-CG2 4.07Å; D61-T123 VanDerWaalsContact OD2-CB 3.3Å; D61-T123 WeakPolarHBondContact OD2-CB 3.35Å; D61-T123 WeakPolarHBondContact OD2-CG2 3.48Å; D61-T123 PolarHBondContact OD2-OG1 3.12Å; T123-L125 PolarHBondContact O-N 3Å; T123-L125 VanDerWaalsContact O-N 3.07Å; T123-Q126 PolarHBondContact O-N 2.79Å; T123-Q126 VanDerWaalsContact OG1-CG 3.31Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.21Å; T123-Q126 PolarHBondContact OG1-N 2.81Å; T123-Q126 PolarHBondContact OG1-OE1 3.01Å; T123-E127 WeakPolarHBondContact O-CG 3.21Å; T123-E127 PolarHBondContact O-N 3.4Å |
| 124 | R | 90.5 | Very high | 88.3 | Confident | 174 Ų | 174 | 78.5 Ų | 78.5 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -52.9 | -33.2 | 174.9 | -172.6 | 177.6 | 179.5 | -168.1 | -1.6 | 112.2 | R128 | R124-R128 WeakPolarHBondContact O-CB 3.36Å; R124-R128 WeakPolarHBondContact O-CD 3.45Å; R124-R128 WeakPolarHBondContact O-CG 3.28Å; R124-R128 PolarHBondContact O-N 2.86Å |
| 125 | L | 90.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.1 | -49.8 | 174.1 | 173.9 | 66.1 | 0 | 0 | 0 | 111.5 | V5 T123 R128 L129 | V5-L125 HydrophobicContact CG2-CD1 3.72Å; T123-L125 PolarHBondContact O-N 3Å; T123-L125 VanDerWaalsContact O-N 3.07Å; L125-R128 PolarHBondContact O-N 3.15Å; L125-L129 HydrophobicContact CD1-CD1 3.92Å; L125-L129 HydrophobicContact CD1-CG 4.2Å; L125-L129 HydrophobicContact CG-CD1 3.93Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.15Å |
| 126 | Q | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | -178.3 | -70.7 | 170.8 | -29.8 | 0 | 0 | 112.2 | G62 M63 L122 T123 L129 R130 P139 F140 W141 | G62-Q126 PolarHBondContact O-NE2 2.85Å; G62-Q126 VanDerWaalsContact O-NE2 3.11Å; M63-Q126 HydrophobicContact CG-CB 4.33Å; M63-Q126 HydrophobicContact CG-CG 4.07Å; M63-Q126 HydrophobicContact SD-CB 3.73Å; M63-Q126 HydrophobicContact SD-CG 3.73Å; L122-Q126 HydrophobicContact CB-CB 4.12Å; L122-Q126 HydrophobicContact CD2-CB 4.23Å; T123-Q126 PolarHBondContact O-N 2.79Å; T123-Q126 VanDerWaalsContact OG1-CG 3.31Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.21Å; T123-Q126 PolarHBondContact OG1-N 2.81Å; T123-Q126 PolarHBondContact OG1-OE1 3.01Å; Q126-L129 PolarHBondContact O-N 3.06Å; Q126-R130 WeakPolarHBondContact O-CB 3.27Å; Q126-R130 PolarHBondContact O-N 3.38Å; Q126-P139 HydrophobicContact CG-CB 4.44Å; Q126-F140 PolarHBondContact NE2-O 3.21Å; Q126-F140 VanDerWaalsContact NE2-O 3.11Å; Q126-W141 VanDerWaalsContact NE2-NE1 3.18Å; Q126-W141 VanDerWaalsContact OE1-CE2 3.22Å |
| 127 | E | 91.9 | Very high | 89 | Confident | 106 Ų | 106 | 75 Ų | 75 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 174.5 | -68.6 | 175.8 | 157 | 0 | 0 | 111.1 | L122 T123 L129 R130 Y131 | L122-E127 HydrophobicContact CB-CG 3.53Å; L122-E127 HydrophobicContact CD1-CG 4.17Å; L122-E127 HydrophobicContact CG-CG 4.49Å; T123-E127 WeakPolarHBondContact O-CG 3.21Å; T123-E127 PolarHBondContact O-N 3.4Å; E127-L129 PolarHBondContact O-N 2.79Å; E127-R130 PolarHBondContact O-N 2.9Å; E127-Y131 WeakPolarHBondContact O-CB 3.33Å; E127-Y131 PolarHBondContact O-N 3Å |
| 128 | R | 89.6 | Confident | 89.3 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 179.5 | -67 | 173.5 | 65 | -164.2 | -6.5 | 112.3 | T3 R124 L125 K132 M411 D412 I414 | T3-R128 PolarHBondContact OG1-NH1 2.81Å; T3-R128 PolarHBondContact OG1-NH2 3.01Å; T3-R128 VanDerWaalsContact OG1-NH2 3.14Å; R124-R128 WeakPolarHBondContact O-CB 3.36Å; R124-R128 WeakPolarHBondContact O-CD 3.45Å; R124-R128 WeakPolarHBondContact O-CG 3.28Å; R124-R128 PolarHBondContact O-N 2.86Å; L125-R128 PolarHBondContact O-N 3.15Å; R128-K132 WeakPolarHBondContact O-CB 3.47Å; R128-K132 PolarHBondContact O-N 3.44Å; R128-M411 HydrophobicContact CG-SD 3.96Å; R128-D412 PolarHBondContact NH2-O 3.15Å; R128-I414 HydrophobicContact CB-CD1 3.84Å |
| 129 | L | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 174.4 | -76.7 | 174.2 | 0 | 0 | 0 | 112.1 | V5 Y44 M63 L125 Q126 E127 Y131 K132 L133 I414 F416 | V5-L129 HydrophobicContact CG1-CD1 4.16Å; V5-L129 HydrophobicContact CG1-CD2 3.99Å; V5-L129 HydrophobicContact CG2-CD2 4.26Å; Y44-L129 HydrophobicContact CD1-CD2 4.44Å; M63-L129 HydrophobicContact CB-CB 4.5Å; M63-L129 HydrophobicContact CB-CD1 4.15Å; M63-L129 HydrophobicContact CG-CB 3.79Å; M63-L129 HydrophobicContact CG-CD1 3.72Å; M63-L129 HydrophobicContact CG-CG 4.42Å; L125-L129 HydrophobicContact CD1-CD1 3.92Å; L125-L129 HydrophobicContact CD1-CG 4.2Å; L125-L129 HydrophobicContact CG-CD1 3.93Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.15Å; Q126-L129 PolarHBondContact O-N 3.06Å; E127-L129 PolarHBondContact O-N 2.79Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; L129-K132 PolarHBondContact O-N 3.26Å; L129-L133 HydrophobicContact CB-CD1 4.35Å; L129-L133 HydrophobicContact CD2-CD1 4.14Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.73Å; L129-I414 HydrophobicContact CD2-CD1 4.39Å; L129-F416 HydrophobicContact CD2-CE1 3.75Å; L129-F416 HydrophobicContact CD2-CZ 4.2Å |
| 130 | R | 91 | Very high | 90.9 | Very high | 109 Ų | 109 | 66 Ų | 66 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.8 | -175.5 | 174.2 | 175.1 | 160.8 | -0.6 | 111.1 | M63 Q126 E127 K132 G134 | M63-R130 HydrophobicContact CE-CB 3.86Å; Q126-R130 WeakPolarHBondContact O-CB 3.27Å; Q126-R130 PolarHBondContact O-N 3.38Å; E127-R130 PolarHBondContact O-N 2.9Å; R130-K132 VanDerWaalsContact C-N 3.32Å; R130-K132 PolarHBondContact O-N 3.05Å; R130-G134 WeakPolarHBondContact O-CA 3.21Å; R130-G134 PolarHBondContact O-N 3.21Å |
| 131 | Y | 90 | Very high | 91.1 | Very high | 177 Ų | 177 | 62.4 Ų | 62.4 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 174.7 | -174.2 | -99.8 | 0 | 0 | 0 | 111.8 | E127 L129 M411 | E127-Y131 WeakPolarHBondContact O-CB 3.33Å; E127-Y131 PolarHBondContact O-N 3Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; Y131-M411 HydrophobicContact CD1-CE 3.82Å; Y131-M411 HydrophobicContact CE1-CE 4.28Å; Y131-M411 HydrophobicContact CG-CE 3.96Å |
| 132 | K | 89.3 | Confident | 91.3 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -78.9 | -32.7 | -177.1 | -169.9 | 168.5 | -172.9 | 173.7 | 0 | 114.8 | R128 L129 R130 I414 F416 | R128-K132 WeakPolarHBondContact O-CB 3.47Å; R128-K132 PolarHBondContact O-N 3.44Å; L129-K132 PolarHBondContact O-N 3.26Å; R130-K132 VanDerWaalsContact C-N 3.32Å; R130-K132 PolarHBondContact O-N 3.05Å; K132-I414 HydrophobicContact CB-CD1 4.4Å; K132-I414 HydrophobicContact CD-CB 3.92Å; K132-I414 HydrophobicContact CD-CD1 3.93Å; K132-I414 HydrophobicContact CD-CG1 4.48Å; K132-I414 HydrophobicContact CD-CG2 4.35Å; K132-I414 PolarHBondContact NZ-O 3.08Å; K132-F416 HydrophobicContact CD-CE2 3.88Å; K132-F416 HydrophobicContact CD-CZ 3.87Å; K132-F416 HydrophobicContact CG-CZ 4.44Å |
| 133 | L | 89.5 | Confident | 91.4 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -102.7 | -16.2 | -172.3 | -61.5 | 175.2 | 0 | 0 | 0 | 113.5 | Y44 L129 A137 F416 | Y44-L133 HydrophobicContact CD1-CD1 4.21Å; Y44-L133 HydrophobicContact CD2-CD1 3.9Å; Y44-L133 HydrophobicContact CE1-CD1 3.95Å; Y44-L133 HydrophobicContact CE1-CD2 4.26Å; Y44-L133 HydrophobicContact CE2-CD1 3.66Å; Y44-L133 HydrophobicContact CG-CD1 4.17Å; L129-L133 HydrophobicContact CB-CD1 4.35Å; L129-L133 HydrophobicContact CD2-CD1 4.14Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.73Å; L133-A137 HydrophobicContact CB-CB 3.67Å; L133-A137 HydrophobicContact CD1-CB 4.14Å; L133-F416 HydrophobicContact CD2-CZ 3.94Å |
| 134 | G | 89.4 | Confident | 91.4 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | trans | 92 | -175.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R130 L136 A137 | R130-G134 WeakPolarHBondContact O-CA 3.21Å; R130-G134 PolarHBondContact O-N 3.21Å; G134-L136 VanDerWaalsContact C-N 3.29Å; G134-L136 PolarHBondContact O-N 3.39Å; G134-A137 WeakPolarHBondContact O-CB 3.35Å; G134-A137 PolarHBondContact O-N 3.28Å; G134-A137 VanDerWaalsContact O-N 3.15Å | ||
| 135 | L | 89 | Confident | 91.3 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 70% | 0.702 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.3 | -172 | -65.6 | 173.8 | 0 | 0 | 0 | 114.4 | A137 | L135-A137 PolarHBondContact O-N 3Š|
| 136 | L | 90.7 | Very high | 91.1 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.4 | 174.9 | -61.1 | -178.4 | 0 | 0 | 0 | 113 | L65 I66 Q68 I71 G134 | L65-L136 HydrophobicContact CD1-CB 4.16Å; I66-L136 HydrophobicContact CG1-CB 4.23Å; I66-L136 WeakPolarHBondContact CG1-O 3.33Å; I66-L136 PolarHBondContact N-O 2.86Å; I66-L136 VanDerWaalsContact N-O 3.09Å; I66-L136 WeakPolarHBondContact O-CB 3.38Å; Q68-L136 HydrophobicContact CB-CD1 4.35Å; I71-L136 HydrophobicContact CD1-CD2 3.54Å; G134-L136 VanDerWaalsContact C-N 3.29Å; G134-L136 PolarHBondContact O-N 3.39Å |
| 137 | A | 92 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | M63 V64 L65 L133 G134 L135 | M63-A137 VanDerWaalsContact CE-C 3.4Å; M63-A137 HydrophobicContact CE-CB 3.67Å; M63-A137 WeakPolarHBondContact CE-O 3.49Å; V64-A137 WeakPolarHBondContact O-CA 3.49Å; L65-A137 HydrophobicContact CD1-CB 4.37Å; L133-A137 HydrophobicContact CB-CB 3.67Å; L133-A137 HydrophobicContact CD1-CB 4.14Å; G134-A137 WeakPolarHBondContact O-CB 3.35Å; G134-A137 PolarHBondContact O-N 3.28Å; G134-A137 VanDerWaalsContact O-N 3.15Å; L135-A137 PolarHBondContact O-N 3Å |
| 138 | L | 92.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.6 | -176 | -62.1 | 177.6 | 0 | 0 | 0 | 110.9 | M63 V64 I66 V110 Y111 | M63-L138 CarbonylContact C-O 3.33Å; M63-L138 WeakPolarHBondContact CA-O 3.24Å; V64-L138 PolarHBondContact N-O 2.97Å; V64-L138 PolarHBondContact O-N 3.47Å; I66-L138 HydrophobicContact CD1-CD1 3.7Å; I66-L138 HydrophobicContact CG1-CD1 4.35Å; V110-L138 HydrophobicContact CG1-CB 3.36Å; V110-L138 HydrophobicContact CG1-CD1 4.15Å; V110-L138 HydrophobicContact CG1-CG 4.4Å; V110-L138 WeakPolarHBondContact O-CD1 3.4Å; Y111-L138 HydrophobicContact CD2-CD1 3.88Å; Y111-L138 HydrophobicContact CG-CD1 4.37Å |
| 139 | P | 94.3 | Very high | 90.6 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 158.5 | -175.5 | 35.4 | -39.2 | 0 | 0 | 0 | 113.2 | G62 M63 L122 Q126 W141 | G62-P139 WeakPolarHBondContact O-CA 3.15Å; M63-P139 WeakPolarHBondContact SD-CA 3.4Å; M63-P139 HydrophobicContact SD-CB 3.61Å; L122-P139 HydrophobicContact CD2-CB 3.79Å; L122-P139 HydrophobicContact CD2-CG 3.71Å; Q126-P139 HydrophobicContact CG-CB 4.44Å; P139-W141 HydrophobicContact CB-CH2 3.44Å; P139-W141 VanDerWaalsContact CB-CH2 3.44Å; P139-W141 HydrophobicContact CB-CZ2 3.84Å; P139-W141 HydrophobicContact CB-CZ3 3.87Å; P139-W141 HydrophobicContact CG-CH2 3.45Å; P139-W141 VanDerWaalsContact CG-CH2 3.45Å; P139-W141 HydrophobicContact CG-CZ2 4.28Å; P139-W141 HydrophobicContact CG-CZ3 3.86Å |
| 140 | F | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.5 | 165.1 | 66.7 | -89.3 | 0 | 0 | 0 | 111 | T43 L45 G62 V64 V79 V108 V110 Q126 F142 L171 | T43-F140 HydrophobicContact CG2-CE1 3.98Å; T43-F140 HydrophobicContact CG2-CZ 4.01Å; L45-F140 HydrophobicContact CD2-CE2 4.14Å; L45-F140 HydrophobicContact CD2-CZ 3.73Å; G62-F140 PolarHBondContact N-O 2.83Å; G62-F140 PolarHBondContact O-N 3.16Å; V64-F140 HydrophobicContact CG2-CD1 3.79Å; V64-F140 HydrophobicContact CG2-CE1 3.83Å; V79-F140 HydrophobicContact CG1-CD2 4.23Å; V79-F140 HydrophobicContact CG1-CE2 4.28Å; V79-F140 HydrophobicContact CG2-CD1 4.18Å; V79-F140 HydrophobicContact CG2-CG 4.29Å; V108-F140 HydrophobicContact CG1-CB 4.19Å; V110-F140 HydrophobicContact CG2-CB 3.98Å; Q126-F140 PolarHBondContact NE2-O 3.21Å; Q126-F140 VanDerWaalsContact NE2-O 3.11Å; F140-F142 AromaticContact CD2-CD2 3.98Å; F140-F142 HydrophobicContact CD2-CD2 3.98Å; F140-F142 AromaticContact CD2-CE2 3.81Å; F140-F142 HydrophobicContact CD2-CE2 3.81Å; F140-F142 HydrophobicContact CE2-CD2 4.37Å; F140-F142 HydrophobicContact CE2-CE2 4.31Å; F140-L171 HydrophobicContact CE2-CD1 4.38Å; F140-L171 HydrophobicContact CE2-CD2 3.78Å; F140-L171 HydrophobicContact CZ-CD2 3.78Å |
| 141 | W | 94.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145 | 177.3 | -56.4 | -94.6 | 0 | 0 | 0 | 110.5 | V59 I60 F117 R120 L122 Q126 P139 | V59-W141 HydrophobicContact CG1-CB 4.37Å; I60-W141 CarbonylContact O-C 3.57Å; I60-W141 VanDerWaalsContact O-CA 3.29Å; I60-W141 WeakPolarHBondContact O-CA 3.22Å; F117-W141 HydrophobicContact CB-CE3 3.98Å; F117-W141 HydrophobicContact CB-CH2 4.4Å; F117-W141 HydrophobicContact CB-CZ3 3.55Å; F117-W141 HydrophobicContact CD1-CD2 4.31Å; F117-W141 AromaticContact CD1-CE3 3.57Å; F117-W141 HydrophobicContact CD1-CE3 3.57Å; F117-W141 HydrophobicContact CD1-CZ3 4.06Å; F117-W141 AromaticContact CD2-CE3 3.81Å; F117-W141 HydrophobicContact CD2-CE3 3.81Å; F117-W141 HydrophobicContact CD2-CZ3 4.03Å; F117-W141 HydrophobicContact CE1-CB 4.07Å; F117-W141 HydrophobicContact CE1-CD2 4.47Å; F117-W141 AromaticContact CE1-CE3 3.94Å; F117-W141 HydrophobicContact CE1-CE3 3.94Å; F117-W141 HydrophobicContact CE2-CE3 4.18Å; F117-W141 AromaticContact CG-CE3 3.49Å; F117-W141 HydrophobicContact CG-CE3 3.49Å; F117-W141 VanDerWaalsContact CG-CE3 3.49Å; F117-W141 AromaticContact CG-CZ3 3.6Å; F117-W141 HydrophobicContact CG-CZ3 3.6Å; F117-W141 HydrophobicContact CZ-CB 4.25Å; F117-W141 HydrophobicContact CZ-CE3 4.23Å; R120-W141 HydrophobicContact CG-CZ2 4.31Å; L122-W141 HydrophobicContact CD2-CH2 4.05Å; L122-W141 HydrophobicContact CD2-CZ2 3.96Å; Q126-W141 VanDerWaalsContact NE2-NE1 3.18Å; Q126-W141 VanDerWaalsContact OE1-CE2 3.22Å; P139-W141 HydrophobicContact CB-CH2 3.44Å; P139-W141 VanDerWaalsContact CB-CH2 3.44Å; P139-W141 HydrophobicContact CB-CZ2 3.84Å; P139-W141 HydrophobicContact CB-CZ3 3.87Å; P139-W141 HydrophobicContact CG-CH2 3.45Å; P139-W141 VanDerWaalsContact CG-CH2 3.45Å; P139-W141 HydrophobicContact CG-CZ2 4.28Å; P139-W141 HydrophobicContact CG-CZ3 3.86Å |
| 142 | F | 94.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.3 | 161.8 | -64.9 | -90.5 | 0 | 0 | 0 | 109.9 | I60 V79 L81 E106 V108 F140 L171 | I60-F142 HydrophobicContact CB-CB 4.11Å; I60-F142 HydrophobicContact CD1-CB 4.29Å; I60-F142 PolarHBondContact N-O 3.34Å; I60-F142 PolarHBondContact O-N 2.91Å; V79-F142 HydrophobicContact CB-CE2 4.23Å; V79-F142 HydrophobicContact CB-CZ 4.31Å; V79-F142 HydrophobicContact CG1-CE2 3.62Å; V79-F142 HydrophobicContact CG1-CZ 4.01Å; V79-F142 WeakPolarHBondContact O-CZ 3.48Å; L81-F142 HydrophobicContact CB-CD1 3.6Å; L81-F142 HydrophobicContact CB-CD2 4.2Å; L81-F142 HydrophobicContact CB-CE1 3.68Å; L81-F142 HydrophobicContact CB-CE2 4.29Å; L81-F142 HydrophobicContact CB-CG 3.87Å; L81-F142 HydrophobicContact CB-CZ 4.03Å; L81-F142 HydrophobicContact CD2-CB 3.63Å; L81-F142 HydrophobicContact CD2-CD1 4.03Å; L81-F142 HydrophobicContact CD2-CG 3.83Å; L81-F142 HydrophobicContact CG-CD1 4.49Å; E106-F142 HydrophobicContact CB-CD1 3.84Å; E106-F142 HydrophobicContact CB-CE1 3.76Å; V108-F142 HydrophobicContact CB-CE1 4.42Å; V108-F142 HydrophobicContact CB-CZ 3.99Å; V108-F142 HydrophobicContact CG2-CD1 4.36Å; V108-F142 HydrophobicContact CG2-CE1 3.75Å; V108-F142 HydrophobicContact CG2-CE2 4.4Å; V108-F142 HydrophobicContact CG2-CZ 3.76Å; F140-F142 AromaticContact CD2-CD2 3.98Å; F140-F142 HydrophobicContact CD2-CD2 3.98Å; F140-F142 AromaticContact CD2-CE2 3.81Å; F140-F142 HydrophobicContact CD2-CE2 3.81Å; F140-F142 HydrophobicContact CE2-CD2 4.37Å; F140-F142 HydrophobicContact CE2-CE2 4.31Å; F142-L171 HydrophobicContact CD2-CD1 3.92Å; F142-L171 HydrophobicContact CE2-CD1 3.64Å; F142-L171 HydrophobicContact CZ-CD1 4.42Å |
| 143 | E | 92.3 | Very high | 91 | Very high | 107 Ų | 107 | 33 Ų | 33 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | trans | -117.8 | 104.9 | 179.7 | -71 | 176.9 | -164.8 | 0 | 0 | 108.3 | V59 R120 | V59-E143 HydrophobicContact CG1-CG 4.2Å; V59-E143 HydrophobicContact CG2-CG 4.22Å; R120-E143 IonicContact CZ-OE1 3Å; R120-E143 IonicContact NH1-OE1 3.69Å; R120-E143 PolarHBondContact NH1-OE1 3.05Å; R120-E143 IonicContact NH2-OE1 3.62Å; R120-E143 PolarHBondContact NH2-OE1 2.69Å | ||
| 144 | L | 92.1 | Very high | 91 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | trans | -80.4 | 139.4 | 176.9 | -69.4 | 177.2 | 0 | 0 | 0 | 110.1 | V57 I60 L81 L104 T148 Y169 K195 | V57-L144 HydrophobicContact CB-CB 4.05Å; V57-L144 WeakPolarHBondContact CB-O 3.3Å; V57-L144 HydrophobicContact CG1-CB 3.97Å; V57-L144 HydrophobicContact CG1-CD1 4.41Å; V57-L144 HydrophobicContact CG2-CB 4.22Å; V57-L144 WeakPolarHBondContact CG2-O 3.46Å; I60-L144 HydrophobicContact CD1-CD1 3.76Å; I60-L144 HydrophobicContact CD1-CG 4.07Å; L81-L144 HydrophobicContact CD2-CD1 4.47Å; L81-L144 HydrophobicContact CD2-CD2 3.66Å; L81-L144 HydrophobicContact CD2-CG 4.12Å; L104-L144 HydrophobicContact CD2-CD2 3.22Å; L144-T148 HydrophobicContact CD2-CG2 4.41Å; L144-Y169 HydrophobicContact CD1-CD1 4.34Å; L144-Y169 HydrophobicContact CD1-CE1 3.85Å; L144-Y169 HydrophobicContact CD2-CE1 4.18Å; L144-K195 HydrophobicContact CD1-CD 4.13Å | ||
| 145 | T | 88.4 | Confident | 90.5 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 46% | 0.46 | 17% | 0.174 | S | C | . | . | trans | -82.1 | 149.6 | 170.4 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | S147 T148 | T145-S147 PolarHBondContact O-N 3.34Å; T145-S147 PolarHBondContact OG1-OG 2.86Å; T145-T148 WeakPolarHBondContact O-CB 3.26Å; T145-T148 PolarHBondContact O-N 2.75Å; T145-T148 PolarHBondContact O-OG1 3.36Å | ||
| 146 | P | 85.9 | Confident | 89.8 | Confident | 43 Ų | 43 | 26.4 Ų | 26.4 | 28% | 0.279 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.1 | 174 | -26.2 | 35.2 | 0 | 0 | 0 | 113.6 | L54 V57 T148 | L54-P146 WeakPolarHBondContact O-CB 3.49Å; V57-P146 HydrophobicContact CG2-CG 4.47Å; P146-T148 PolarHBondContact O-N 3.5Å |
| 147 | S | 85.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 26.1 Ų | 26.1 | 42% | 0.42 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.4 | 176.4 | 74.6 | 0 | 0 | 0 | 0 | 114.9 | T145 | T145-S147 PolarHBondContact O-N 3.34Å; T145-S147 PolarHBondContact OG1-OG 2.86Å |
| 148 | T | 88.2 | Confident | 87.2 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -76.9 | 141.9 | 179.5 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | L104 L144 T145 P146 Y169 K195 | L104-T148 HydrophobicContact CD2-CG2 4.4Å; L144-T148 HydrophobicContact CD2-CG2 4.41Å; T145-T148 WeakPolarHBondContact O-CB 3.26Å; T145-T148 PolarHBondContact O-N 2.75Å; T145-T148 PolarHBondContact O-OG1 3.36Å; P146-T148 PolarHBondContact O-N 3.5Å; T148-Y169 WeakPolarHBondContact CB-OH 3.44Å; T148-K195 PolarHBondContact O-NZ 3.25Å; T148-K195 WeakPolarHBondContact OG1-CD 3.47Å; T148-K195 WeakPolarHBondContact OG1-CE 3.19Å |
| 149 | A | 90.7 | Very high | 85.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 140.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L103 V167 Y169 N342 L343 | L103-A149 HydrophobicContact CD1-CB 3.95Å; A149-V167 HydrophobicContact CB-CG1 3.93Å; A149-V167 HydrophobicContact CB-CG2 4.17Å; A149-Y169 WeakPolarHBondContact O-CE2 3.47Å; A149-Y169 VanDerWaalsContact O-CZ 3.24Å; A149-Y169 PolarHBondContact O-OH 2.92Å; A149-N342 WeakPolarHBondContact CB-O 3.48Å; A149-L343 VanDerWaalsContact CB-O 3.26Å; A149-L343 WeakPolarHBondContact CB-O 3.29Å |
| 150 | S | 92.1 | Very high | 83.8 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 16% | 0.161 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 156.7 | 171.2 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | V152 K195 T197 | S150-V152 PolarHBondContact O-N 2.91Å; S150-K195 PolarHBondContact OG-NZ 2.77Å; S150-T197 PolarHBondContact OG-OG1 2.53Å |
| 151 | S | 92.6 | Very high | 81.8 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -69.8 | 112.1 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | V167 Y169 R194 K195 | S151-V167 WeakPolarHBondContact CA-O 3.42Å; S151-Y169 VanDerWaalsContact OG-CD2 3.22Å; S151-Y169 WeakPolarHBondContact OG-CD2 3.38Å; S151-R194 WeakPolarHBondContact OG-CA 3.46Å; S151-K195 PolarHBondContact N-O 2.92Å; S151-K195 PolarHBondContact OG-N 2.92Å | ||
| 152 | V | 92.7 | Very high | 80.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.8 | -179.1 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | S150 G166 V167 A316 L317 A329 I345 V347 | S150-V152 PolarHBondContact O-N 2.91Å; V152-G166 CarbonylContact O-C 3.57Å; V152-G166 WeakPolarHBondContact O-CA 3.47Å; V152-V167 PolarHBondContact N-O 2.95Å; V152-V167 PolarHBondContact O-N 2.84Å; V152-A316 HydrophobicContact CG1-CB 4.01Å; V152-L317 CarbonylContact C-O 3.5Å; V152-L317 WeakPolarHBondContact CA-O 3.37Å; V152-A329 HydrophobicContact CG1-CB 4.02Å; V152-A329 HydrophobicContact CG2-CB 4.36Å; V152-I345 HydrophobicContact CB-CB 4.4Å; V152-I345 HydrophobicContact CB-CD1 4.34Å; V152-I345 HydrophobicContact CG1-CB 4.13Å; V152-I345 HydrophobicContact CG1-CD1 4.05Å; V152-I345 HydrophobicContact CG1-CG2 3.97Å; V152-V347 HydrophobicContact CG1-CG2 4.01Å |
| 153 | T | 90.6 | Very high | 78.7 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.5 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | C165 L317 G319 | T153-C165 CarbonylContact C-O 3.51Å; T153-C165 WeakPolarHBondContact CA-O 3.46Å; T153-L317 PolarHBondContact N-O 3.41Å; T153-L317 PolarHBondContact O-N 3.44Å; T153-G319 PolarHBondContact OG1-O 3.11Å |
| 154 | L | 88.5 | Confident | 77.6 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.4 | 172 | -68.9 | 167.5 | 0 | 0 | 0 | 110 | C165 A265 I267 Y275 L315 A316 I345 | L154-C165 HydrophobicContact CB-CB 4.32Å; L154-C165 PolarHBondContact N-O 2.8Å; L154-A265 HydrophobicContact CD2-CB 3.69Å; L154-I267 HydrophobicContact CD1-CD1 3.65Å; L154-I267 HydrophobicContact CD1-CG1 3.75Å; L154-Y275 HydrophobicContact CD1-CD2 4.13Å; L154-Y275 HydrophobicContact CD1-CE2 4.17Å; L154-L315 WeakPolarHBondContact CA-O 3.22Å; L154-A316 HydrophobicContact CD2-CB 3.8Å; L154-I345 HydrophobicContact CD1-CD1 3.93Å; L154-I345 HydrophobicContact CD1-CG1 4.49Å; L154-I345 HydrophobicContact CG-CD1 3.97Å |
| 155 | Q | 80.8 | Confident | 77.1 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 123.3 | 174.7 | -170.6 | 169.6 | -1.4 | 0 | 0 | 110.1 | R310 K312 G314 L315 L321 | Q155-R310 PolarHBondContact NE2-O 2.9Å; Q155-K312 PolarHBondContact NE2-O 3.17Å; Q155-K312 PolarHBondContact OE1-O 3.26Å; Q155-G314 WeakPolarHBondContact O-CA 3.37Å; Q155-G314 PolarHBondContact O-N 3.41Å; Q155-L315 PolarHBondContact N-O 2.82Å; Q155-L321 VanDerWaalsContact NE2-CD2 3.33Å |
| 156 | P | 72.8 | Confident | 77.1 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 148.4 | -179.6 | 26.4 | -33.6 | 0 | 0 | 0 | 110.7 | D160 R313 | P156-D160 HydrophobicContact CB-CB 4.05Å; P156-R313 WeakPolarHBondContact O-CD 3.26Å |
| 157 | T | 68.3 | Low | 77.3 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 156.6 | 169 | 38.1 | 0 | 0 | 0 | 0 | 110.7 | D159 D160 R313 | T157-D159 PolarHBondContact O-N 3.24Å; T157-D160 CarbonylContact O-C 3.53Å; T157-D160 WeakPolarHBondContact O-CA 3.47Å; T157-D160 WeakPolarHBondContact O-CB 3.31Å; T157-D160 PolarHBondContact O-N 2.93Å; T157-D160 PolarHBondContact OG1-OD2 2.9Å; T157-R313 HydrophobicContact CG2-CB 4.07Å |
| 158 | P | 60.1 | Low | 77.6 | Confident | 96 Ų | 96 | 35.7 Ų | 35.7 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.9 | -179.1 | -16.6 | 29.6 | 0 | 0 | 0 | 113 | D160 R313 | P158-D160 PolarHBondContact O-N 3.48Å; P158-R313 HydrophobicContact CG-CG 4.19Å |
| 159 | D | 59.2 | Low | 77.9 | Confident | 131 Ų | 131 | 34.9 Ų | 34.9 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.1 | 175.2 | -56.8 | -38.6 | 0 | 0 | 0 | 112.4 | R89 T157 | R89-D159 PolarHBondContact NH2-O 3.26Å; T157-D159 PolarHBondContact O-N 3.24Å |
| 160 | D | 57.9 | Low | 78 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | trans | -93 | 96.2 | 171.7 | -82.5 | -22.3 | 0 | 0 | 0 | 108.7 | R89 P156 T157 P158 A162 | R89-D160 IonicContact CZ-OD1 3.04Å; R89-D160 IonicContact NE-OD1 2.68Å; R89-D160 PolarHBondContact NE-OD1 2.85Å; R89-D160 IonicContact NH2-OD1 2.93Å; R89-D160 PolarHBondContact NH2-OD1 2.9Å; R89-D160 VanDerWaalsContact NH2-OD1 3.08Å; P156-D160 HydrophobicContact CB-CB 4.05Å; T157-D160 CarbonylContact O-C 3.53Å; T157-D160 WeakPolarHBondContact O-CA 3.47Å; T157-D160 WeakPolarHBondContact O-CB 3.31Å; T157-D160 PolarHBondContact O-N 2.93Å; T157-D160 PolarHBondContact OG1-OD2 2.9Å; P158-D160 PolarHBondContact O-N 3.48Å; D160-A162 HydrophobicContact CB-CB 3.95Å; D160-A162 PolarHBondContact O-N 2.91Å | ||
| 161 | S | 51.5 | Low | 78.1 | Confident | 70 Ų | 70 | 36.2 Ų | 36.2 | 49% | 0.49 | 21% | 0.209 | S | C | . | . | trans | -61.5 | 5.1 | 156.8 | 55.7 | 0 | 0 | 0 | 0 | 113 | D91 | D91-S161 WeakPolarHBondContact OD2-CB 3.31Å; D91-S161 PolarHBondContact OD2-OG 3.3Å | ||
| 162 | A | 58.1 | Low | 78.2 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.3 | 148 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G88 R89 D160 | G88-A162 WeakPolarHBondContact O-CB 3.46Å; R89-A162 HydrophobicContact CB-CB 4.26Å; R89-A162 HydrophobicContact CG-CB 3.75Å; D160-A162 HydrophobicContact CB-CB 3.95Å; D160-A162 PolarHBondContact O-N 2.91Å |
| 163 | K | 65.5 | Low | 78.2 | Confident | 93 Ų | 93 | 37.1 Ų | 37.1 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -53.4 | 142 | 160.6 | -170 | 178.5 | 179.1 | -174.3 | 0 | 109.6 | C165 | K163-C165 PolarHBondContact O-N 3.38Š|
| 164 | P | 68.6 | Low | 78.2 | Confident | 52 Ų | 52 | 38.5 Ų | 38.5 | 34% | 0.338 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -55.4 | 135.7 | -179.8 | 21.9 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 165 | C | 81.8 | Confident | 78.2 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.6 | 173.4 | 168.9 | 0 | 0 | 0 | 0 | 109.3 | F85 C86 Y87 T153 L154 K163 | F85-C165 WeakPolarHBondContact CZ-SG 3.33Å; C86-C165 CarbonylContact O-C 3.52Å; C86-C165 VanDerWaalsContact O-CA 3.28Å; C86-C165 WeakPolarHBondContact O-CA 3.24Å; Y87-C165 HydrophobicContact CD2-CB 4.02Å; T153-C165 CarbonylContact C-O 3.51Å; T153-C165 WeakPolarHBondContact CA-O 3.46Å; L154-C165 HydrophobicContact CB-CB 4.32Å; L154-C165 PolarHBondContact N-O 2.8Å; K163-C165 PolarHBondContact O-N 3.38Å |
| 166 | G | 88.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F85 C86 V152 | F85-G166 CarbonylContact C-O 3.47Å; F85-G166 WeakPolarHBondContact CA-O 3.05Å; C86-G166 PolarHBondContact N-O 2.73Å; C86-G166 PolarHBondContact O-N 2.94Å; V152-G166 CarbonylContact O-C 3.57Å; V152-G166 WeakPolarHBondContact O-CA 3.47Å |
| 167 | V | 90.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.8 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | F85 L103 A149 S151 V152 Y169 | F85-V167 HydrophobicContact CB-CG2 4.49Å; F85-V167 HydrophobicContact CD2-CG2 3.87Å; L103-V167 HydrophobicContact CD1-CG1 3.96Å; L103-V167 HydrophobicContact CD1-CG2 4.06Å; A149-V167 HydrophobicContact CB-CG1 3.93Å; A149-V167 HydrophobicContact CB-CG2 4.17Å; S151-V167 WeakPolarHBondContact CA-O 3.42Å; V152-V167 PolarHBondContact N-O 2.95Å; V152-V167 PolarHBondContact O-N 2.84Å; V167-Y169 HydrophobicContact CG1-CD2 4.43Å; V167-Y169 HydrophobicContact CG1-CE2 3.95Å |
| 168 | D | 90.8 | Very high | 78.6 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143 | 176.3 | -85.7 | -11 | 0 | 0 | 0 | 109.5 | S83 A84 K320 | S83-D168 WeakPolarHBondContact CA-O 3.44Å; A84-D168 PolarHBondContact N-O 2.81Å; A84-D168 VanDerWaalsContact N-O 3.15Å; A84-D168 PolarHBondContact O-N 3Å; A84-D168 VanDerWaalsContact O-N 3.15Å; D168-K320 IonicContact OD1-NZ 3.66Å; D168-K320 WeakPolarHBondContact OD2-CE 3.47Å; D168-K320 IonicContact OD2-NZ 3.6Å; D168-K320 PolarHBondContact OD2-NZ 2.91Å |
| 169 | Y | 94 | Very high | 78.6 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.9 | 170.4 | -76 | -105.1 | 0 | 0 | 0 | 110.3 | L81 H82 L144 T148 A149 S151 V167 A192 I193 K195 | L81-Y169 HydrophobicContact CD1-CD1 4.26Å; H82-Y169 CarbonylContact O-C 3.6Å; H82-Y169 WeakPolarHBondContact O-CA 3.33Å; L144-Y169 HydrophobicContact CD1-CD1 4.34Å; L144-Y169 HydrophobicContact CD1-CE1 3.85Å; L144-Y169 HydrophobicContact CD2-CE1 4.18Å; T148-Y169 WeakPolarHBondContact CB-OH 3.44Å; A149-Y169 WeakPolarHBondContact O-CE2 3.47Å; A149-Y169 VanDerWaalsContact O-CZ 3.24Å; A149-Y169 PolarHBondContact O-OH 2.92Å; S151-Y169 VanDerWaalsContact OG-CD2 3.22Å; S151-Y169 WeakPolarHBondContact OG-CD2 3.38Å; V167-Y169 HydrophobicContact CG1-CD2 4.43Å; V167-Y169 HydrophobicContact CG1-CE2 3.95Å; Y169-A192 WeakPolarHBondContact O-CA 3.22Å; Y169-I193 PolarHBondContact O-N 3.36Å; Y169-K195 HydrophobicContact CD2-CB 4.31Å; Y169-K195 HydrophobicContact CE2-CB 3.89Å |
| 170 | E | 93.7 | Very high | 78.4 | Confident | 53 Ų | 53 | 47 Ų | 47 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.6 | 177.1 | -174.1 | 174.9 | -101.4 | 0 | 0 | 109.7 | H82 R190 | H82-E170 PolarHBondContact N-O 3.23Å; H82-E170 PolarHBondContact O-N 2.93Å; E170-R190 HydrophobicContact CG-CB 4.41Å; E170-R190 WeakPolarHBondContact OE1-CD 3.48Å; E170-R190 IonicContact OE1-NH1 3.7Å; E170-R190 IonicContact OE2-NH1 2.75Å |
| 171 | L | 94.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.8 | 165.2 | -170.7 | 78 | 0 | 0 | 0 | 108.3 | T43 L45 V79 T80 L81 F140 F142 R190 L191 | T43-L171 HydrophobicContact CG2-CD2 4.46Å; L45-L171 HydrophobicContact CD1-CD2 3.9Å; L45-L171 HydrophobicContact CD2-CD2 4.03Å; L45-L171 HydrophobicContact CG-CD2 4.33Å; V79-L171 HydrophobicContact CG1-CD1 3.54Å; V79-L171 HydrophobicContact CG1-CD2 4.33Å; V79-L171 HydrophobicContact CG1-CG 3.85Å; T80-L171 WeakPolarHBondContact O-CA 3.38Å; L81-L171 HydrophobicContact CB-CD1 4.21Å; L81-L171 HydrophobicContact CD1-CD1 4.26Å; F140-L171 HydrophobicContact CE2-CD1 4.38Å; F140-L171 HydrophobicContact CE2-CD2 3.78Å; F140-L171 HydrophobicContact CZ-CD2 3.78Å; F142-L171 HydrophobicContact CD2-CD1 3.92Å; F142-L171 HydrophobicContact CE2-CD1 3.64Å; F142-L171 HydrophobicContact CZ-CD1 4.42Å; L171-R190 CarbonylContact O-C 3.56Å; L171-R190 WeakPolarHBondContact O-CA 3.41Å; L171-L191 HydrophobicContact CB-CB 4.26Å; L171-L191 HydrophobicContact CD2-CD1 4.28Å; L171-L191 PolarHBondContact N-O 2.81Å; L171-L191 PolarHBondContact O-N 3.23Å |
| 172 | K | 93.7 | Very high | 79.3 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124 | -175.1 | 178.9 | -175 | 176.3 | -173.3 | 0 | 110.8 | V79 T80 Y174 V189 R190 | V79-K172 CarbonylContact C-O 3.54Å; V79-K172 WeakPolarHBondContact CA-O 3.18Å; T80-K172 PolarHBondContact N-O 2.87Å; T80-K172 PolarHBondContact O-N 3.41Å; T80-K172 PolarHBondContact OG1-O 2.93Å; K172-Y174 HydrophobicContact CD-CD1 4.33Å; K172-Y174 HydrophobicContact CG-CD1 4.14Å; K172-V189 CarbonylContact C-O 3.57Å; K172-V189 VanDerWaalsContact CA-O 3.24Å; K172-V189 WeakPolarHBondContact CA-O 3.38Å; K172-R190 HydrophobicContact CB-CG 4.39Å; K172-R190 HydrophobicContact CD-CG 4.37Å; K172-R190 HydrophobicContact CG-CG 3.98Å |
| 173 | T | 93 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.4 | 175 | -46.6 | 0 | 0 | 0 | 0 | 108.4 | I41 T43 V64 V77 V78 V79 S188 V189 | I41-T173 HydrophobicContact CD1-CG2 3.93Å; T43-T173 VanDerWaalsContact OG1-CB 3.31Å; T43-T173 WeakPolarHBondContact OG1-CB 3.41Å; T43-T173 PolarHBondContact OG1-OG1 2.75Å; V64-T173 HydrophobicContact CG1-CG2 3.89Å; V64-T173 HydrophobicContact CG2-CG2 3.96Å; V77-T173 HydrophobicContact CG1-CG2 3.98Å; V78-T173 CarbonylContact O-C 3.58Å; V78-T173 WeakPolarHBondContact O-CA 3.44Å; V79-T173 HydrophobicContact CG2-CG2 3.8Å; T173-S188 CarbonylContact O-C 3.6Å; T173-S188 WeakPolarHBondContact O-CA 3.38Å; T173-V189 PolarHBondContact N-O 2.87Å; T173-V189 PolarHBondContact O-N 2.87Å |
| 174 | Y | 90.8 | Very high | 80 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.5 | 176.7 | 58.6 | -91 | 0 | 0 | 0 | 112 | V78 T80 K172 T176 P183 D187 | V78-Y174 HydrophobicContact CB-CE1 4.33Å; V78-Y174 HydrophobicContact CB-CE2 3.97Å; V78-Y174 HydrophobicContact CG1-CE1 4.45Å; V78-Y174 HydrophobicContact CG2-CE2 4.33Å; V78-Y174 PolarHBondContact N-O 2.84Å; V78-Y174 PolarHBondContact O-N 2.76Å; T80-Y174 HydrophobicContact CG2-CE1 3.6Å; K172-Y174 HydrophobicContact CD-CD1 4.33Å; K172-Y174 HydrophobicContact CG-CD1 4.14Å; Y174-T176 HydrophobicContact CD2-CG2 4.5Å; Y174-T176 HydrophobicContact CE2-CG2 4.14Å; Y174-P183 HydrophobicContact CD1-CB 4.06Å; Y174-P183 HydrophobicContact CD1-CG 4.3Å; Y174-P183 HydrophobicContact CD2-CB 3.6Å; Y174-P183 HydrophobicContact CD2-CG 4.38Å; Y174-P183 HydrophobicContact CE1-CG 4.44Å; Y174-P183 HydrophobicContact CE2-CB 4.17Å; Y174-P183 HydrophobicContact CG-CB 3.52Å; Y174-P183 HydrophobicContact CG-CG 4.24Å; Y174-D187 WeakPolarHBondContact CA-O 3.22Å |
| 175 | V | 88.3 | Confident | 80.2 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.5 | 171.1 | -171 | 0 | 0 | 0 | 0 | 109 | I41 I70 Q75 C76 V77 D187 | I41-V175 HydrophobicContact CD1-CG2 4.34Å; I41-V175 HydrophobicContact CG2-CG2 3.53Å; I70-V175 HydrophobicContact CD1-CG2 3.98Å; I70-V175 HydrophobicContact CG2-CG1 4.47Å; Q75-V175 HydrophobicContact CB-CG1 3.64Å; Q75-V175 HydrophobicContact CG-CG1 4.27Å; C76-V175 CarbonylContact O-C 3.53Å; C76-V175 WeakPolarHBondContact O-CA 3.4Å; V77-V175 HydrophobicContact CG2-CG2 4.32Å; V175-D187 PolarHBondContact N-O 3.04Å |
| 176 | T | 84.4 | Confident | 79.7 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.6 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | C76 V78 Y174 N178 | C76-T176 WeakPolarHBondContact CA-O 3.46Å; C76-T176 HydrophobicContact CB-CG2 4.04Å; C76-T176 WeakPolarHBondContact CB-O 3.4Å; C76-T176 PolarHBondContact N-O 2.89Å; C76-T176 PolarHBondContact O-N 2.94Å; V78-T176 HydrophobicContact CG2-CG2 4.08Å; Y174-T176 HydrophobicContact CD2-CG2 4.5Å; Y174-T176 HydrophobicContact CE2-CG2 4.14Å; T176-N178 PolarHBondContact OG1-N 2.79Å; T176-N178 PolarHBondContact OG1-O 3.07Å |
| 177 | N | 77.7 | Confident | 79.1 | Confident | 119 Ų | 119 | 69.7 Ų | 69.7 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -93 | -14.3 | 175.5 | -61.8 | 15.9 | 0 | 0 | 0 | 111.6 | Q75 | Q75-N177 WeakPolarHBondContact CG-OD1 3.42Å; Q75-N177 PolarHBondContact NE2-OD1 3.37Å |
| 178 | N | 68 | Low | 78.9 | Confident | 100 Ų | 100 | 70 Ų | 70 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -146.9 | 133.2 | -176.3 | -166.5 | -9 | 0 | 0 | 0 | 109.1 | T176 Q180 A181 | T176-N178 PolarHBondContact OG1-N 2.79Å; T176-N178 PolarHBondContact OG1-O 3.07Å; N178-Q180 PolarHBondContact O-N 3.44Å; N178-A181 HydrophobicContact CB-CB 4.36Å; N178-A181 PolarHBondContact O-N 2.92Å |
| 179 | S | 59.1 | Low | 78.9 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 78% | 0.776 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -18.1 | -174.3 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 180 | Q | 56.7 | Low | 78.8 | Confident | 166 Ų | 166 | 71.9 Ų | 71.9 | 78% | 0.776 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -6.5 | -179.3 | -66.9 | -72.7 | -5 | 0 | 0 | 115 | N178 | N178-Q180 PolarHBondContact O-N 3.44Š|
| 181 | A | 60.7 | Low | 78.7 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -76.2 | 131.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N178 | N178-A181 HydrophobicContact CB-CB 4.36Å; N178-A181 PolarHBondContact O-N 2.92Å |
| 182 | K | 67.6 | Low | 78.6 | Confident | 201 Ų | 201 | 72 Ų | 72 | 87% | 0.874 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 128.6 | 173 | -77 | -177.8 | -178.8 | 175.3 | 0 | 109.4 | K184 | K182-K184 PolarHBondContact O-N 3.21Š|
| 183 | P | 68.4 | Low | 78.6 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 131.4 | -176.4 | 24.1 | -34.6 | 0 | 0 | 0 | 111.8 | Y174 | Y174-P183 HydrophobicContact CD1-CB 4.06Å; Y174-P183 HydrophobicContact CD1-CG 4.3Å; Y174-P183 HydrophobicContact CD2-CB 3.6Å; Y174-P183 HydrophobicContact CD2-CG 4.38Å; Y174-P183 HydrophobicContact CE1-CG 4.44Å; Y174-P183 HydrophobicContact CE2-CB 4.17Å; Y174-P183 HydrophobicContact CG-CB 3.52Å; Y174-P183 HydrophobicContact CG-CG 4.24Å |
| 184 | K | 69.2 | Low | 78.6 | Confident | 152 Ų | 152 | 71.2 Ų | 71.2 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 134.7 | 173.6 | -67.3 | -179.9 | -177.7 | 175 | 0 | 109.5 | K182 Q186 D187 | K182-K184 PolarHBondContact O-N 3.21Å; K184-Q186 VanDerWaalsContact C-N 3.25Å; K184-Q186 PolarHBondContact O-N 3.18Å; K184-D187 PolarHBondContact O-N 3.33Å |
| 185 | K | 72.1 | Confident | 78.8 | Confident | 168 Ų | 168 | 69.5 Ų | 69.5 | 73% | 0.73 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -59.4 | -35.9 | -177.7 | -73.1 | -176.4 | -179.8 | 176.8 | 0 | 112.7 | D187 S188 | K185-D187 VanDerWaalsContact C-N 3.34Å; K185-S188 PolarHBondContact O-N 3.19Å; K185-S188 PolarHBondContact O-OG 3.36Å |
| 186 | Q | 71.8 | Confident | 78.9 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -71.2 | -28.3 | -176.1 | -68.4 | 176.5 | -13.5 | 0 | 0 | 113.2 | P11 S12 K184 S188 | P11-Q186 WeakPolarHBondContact CD-O 3.32Å; S12-Q186 PolarHBondContact N-O 3.05Å; S12-Q186 PolarHBondContact OG-O 3.25Å; K184-Q186 VanDerWaalsContact C-N 3.25Å; K184-Q186 PolarHBondContact O-N 3.18Å; Q186-S188 VanDerWaalsContact C-N 3.34Å |
| 187 | D | 77.1 | Confident | 79.2 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -103 | 25.5 | -178.9 | -49.2 | -39.6 | 0 | 0 | 0 | 111.1 | I41 Y174 V175 K184 K185 | I41-D187 WeakPolarHBondContact CD1-O 3.32Å; Y174-D187 WeakPolarHBondContact CA-O 3.22Å; V175-D187 PolarHBondContact N-O 3.04Å; K184-D187 PolarHBondContact O-N 3.33Å; K185-D187 VanDerWaalsContact C-N 3.34Å |
| 188 | S | 85.2 | Confident | 79.6 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.7 | -179.2 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | T173 K185 Q186 | T173-S188 CarbonylContact O-C 3.6Å; T173-S188 WeakPolarHBondContact O-CA 3.38Å; K185-S188 PolarHBondContact O-N 3.19Å; K185-S188 PolarHBondContact O-OG 3.36Å; Q186-S188 VanDerWaalsContact C-N 3.34Å |
| 189 | V | 90.6 | Very high | 80.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.1 | 170.8 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | K8 S10 I41 K172 T173 L191 | K8-V189 HydrophobicContact CB-CG1 3.78Å; K8-V189 HydrophobicContact CD-CG1 4.01Å; K8-V189 HydrophobicContact CG-CG1 3.92Å; S10-V189 VanDerWaalsContact N-CG2 3.34Å; I41-V189 HydrophobicContact CD1-CG2 4.05Å; I41-V189 HydrophobicContact CG1-CG2 3.97Å; K172-V189 CarbonylContact C-O 3.57Å; K172-V189 VanDerWaalsContact CA-O 3.24Å; K172-V189 WeakPolarHBondContact CA-O 3.38Å; T173-V189 PolarHBondContact N-O 2.87Å; T173-V189 PolarHBondContact O-N 2.87Å; V189-L191 HydrophobicContact CG1-CD2 4.26Å; V189-L191 HydrophobicContact CG1-CG 4.19Å |
| 190 | R | 91.5 | Very high | 81.3 | Confident | 92 Ų | 92 | 56 Ų | 56 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.5 | 177.9 | -63.5 | 177.5 | -173.5 | -149 | 7.9 | 110.3 | K8 E170 L171 K172 | K8-R190 WeakPolarHBondContact CD-O 3.07Å; K8-R190 WeakPolarHBondContact CE-O 3.48Å; K8-R190 PolarHBondContact NZ-O 3.25Å; E170-R190 HydrophobicContact CG-CB 4.41Å; E170-R190 WeakPolarHBondContact OE1-CD 3.48Å; E170-R190 IonicContact OE1-NH1 3.7Å; E170-R190 IonicContact OE2-NH1 2.75Å; L171-R190 CarbonylContact O-C 3.56Å; L171-R190 WeakPolarHBondContact O-CA 3.41Å; K172-R190 HydrophobicContact CB-CG 4.39Å; K172-R190 HydrophobicContact CD-CG 4.37Å; K172-R190 HydrophobicContact CG-CG 3.98Å |
| 191 | L | 92.2 | Very high | 82.1 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.3 | -178.2 | -57.1 | 175.7 | 0 | 0 | 0 | 107.9 | K8 T43 L45 L171 V189 I193 F419 | K8-L191 HydrophobicContact CB-CD2 3.52Å; K8-L191 HydrophobicContact CD-CD2 3.49Å; K8-L191 VanDerWaalsContact CD-CD2 3.49Å; K8-L191 HydrophobicContact CG-CD2 4.16Å; T43-L191 HydrophobicContact CG2-CD1 3.63Å; L45-L191 HydrophobicContact CD1-CD1 3.73Å; L45-L191 HydrophobicContact CG-CD1 4.23Å; L171-L191 HydrophobicContact CB-CB 4.26Å; L171-L191 HydrophobicContact CD2-CD1 4.28Å; L171-L191 PolarHBondContact N-O 2.81Å; L171-L191 PolarHBondContact O-N 3.23Å; V189-L191 HydrophobicContact CG1-CD2 4.26Å; V189-L191 HydrophobicContact CG1-CG 4.19Å; L191-I193 PolarHBondContact O-N 3.05Å; L191-F419 HydrophobicContact CB-CD1 4.15Å; L191-F419 HydrophobicContact CB-CD2 4.46Å; L191-F419 HydrophobicContact CB-CE1 3.85Å; L191-F419 HydrophobicContact CB-CE2 4.17Å; L191-F419 HydrophobicContact CB-CG 4.47Å; L191-F419 HydrophobicContact CB-CZ 3.87Å; L191-F419 HydrophobicContact CD1-CD2 4.44Å; L191-F419 HydrophobicContact CD2-CB 3.67Å; L191-F419 HydrophobicContact CD2-CD1 3.57Å; L191-F419 HydrophobicContact CD2-CD2 3.84Å; L191-F419 HydrophobicContact CD2-CE1 4.16Å; L191-F419 HydrophobicContact CD2-CE2 4.38Å; L191-F419 HydrophobicContact CD2-CG 3.41Å; L191-F419 VanDerWaalsContact CD2-CG 3.41Å; L191-F419 HydrophobicContact CG-CD1 4.47Å; L191-F419 HydrophobicContact CG-CD2 4.49Å; L191-F419 HydrophobicContact CG-CG 4.43Å |
| 192 | A | 92.2 | Very high | 82.6 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 102.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y169 F419 | Y169-A192 WeakPolarHBondContact O-CA 3.22Å; A192-F419 WeakPolarHBondContact O-CE1 3.18Å; A192-F419 WeakPolarHBondContact O-CZ 3.36Å |
| 193 | I | 94.1 | Very high | 82.7 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 168.8 | 177.5 | 64.6 | 174 | 0 | 0 | 0 | 109.7 | L45 R48 F50 I60 L81 Y169 L191 F419 | L45-I193 HydrophobicContact CD1-CG2 3.92Å; R48-I193 CarbonylContact O-C 3.5Å; R48-I193 WeakPolarHBondContact O-CA 3.26Å; F50-I193 HydrophobicContact CD2-CB 4.3Å; F50-I193 HydrophobicContact CD2-CD1 4.12Å; F50-I193 HydrophobicContact CE2-CB 4.07Å; F50-I193 HydrophobicContact CE2-CD1 4.02Å; F50-I193 HydrophobicContact CE2-CG2 4.04Å; I60-I193 HydrophobicContact CD1-CD1 3.65Å; I60-I193 HydrophobicContact CG1-CD1 4.36Å; I60-I193 HydrophobicContact CG2-CD1 4.48Å; L81-I193 HydrophobicContact CD1-CD1 3.7Å; Y169-I193 PolarHBondContact O-N 3.36Å; L191-I193 PolarHBondContact O-N 3.05Å; I193-F419 HydrophobicContact CG2-CE2 4.24Å; I193-F419 HydrophobicContact CG2-CZ 3.8Å |
| 194 | R | 93.7 | Very high | 82.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 4% | 0.038 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.1 | 172.4 | -71.7 | -175.8 | -66.8 | -166.6 | 0.4 | 111.4 | R48 D49 F50 S151 L196 D318 D325 R421 | R48-R194 PolarHBondContact O-N 2.77Å; D49-R194 CarbonylContact C-O 3.55Å; D49-R194 WeakPolarHBondContact CA-O 3.47Å; D49-R194 VanDerWaalsContact CG-NH2 3.34Å; D49-R194 IonicContact OD1-CZ 3.61Å; D49-R194 IonicContact OD1-NE 3.16Å; D49-R194 PolarHBondContact OD1-NE 3.47Å; D49-R194 IonicContact OD1-NH2 2.92Å; D49-R194 PolarHBondContact OD1-NH2 3.34Å; D49-R194 IonicContact OD2-CZ 2.85Å; D49-R194 IonicContact OD2-NE 2.75Å; D49-R194 IonicContact OD2-NH2 3.18Å; D49-R194 PolarHBondContact OD2-NH2 2.7Å; F50-R194 PolarHBondContact N-O 3.07Å; S151-R194 WeakPolarHBondContact OG-CA 3.46Å; R194-L196 HydrophobicContact CB-CD1 4.44Å; R194-L196 HydrophobicContact CB-CD2 4.19Å; R194-L196 HydrophobicContact CB-CG 4Å; R194-D318 WeakPolarHBondContact CD-O 3.41Å; R194-D318 IonicContact NH1-OD1 3.13Å; R194-D318 PolarHBondContact NH1-OD1 2.81Å; R194-D325 PolarHBondContact NH1-O 3.15Å; R194-D325 IonicContact NH1-OD1 3.42Å; R194-D325 PolarHBondContact NH2-O 2.88Å; R194-D325 IonicContact NH2-OD1 2.68Å; R194-D325 IonicContact NH2-OD2 3.08Å; R194-D325 PolarHBondContact NH2-OD2 2.71Å; R194-R421 VanDerWaalsContact CG-NH2 3.27Å; R194-R421 VanDerWaalsContact NE-CZ 3.31Å |
| 195 | K | 93.3 | Very high | 82.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.7 | 160.4 | 177.6 | 176.9 | 179.6 | -84.6 | 0 | 108.2 | F50 D52 L144 T148 S150 S151 Y169 | F50-K195 WeakPolarHBondContact O-CA 3.45Å; D52-K195 HydrophobicContact CB-CG 4.33Å; D52-K195 WeakPolarHBondContact OD2-CE 3.45Å; D52-K195 IonicContact OD2-NZ 3.85Å; D52-K195 PolarHBondContact OD2-NZ 2.86Å; L144-K195 HydrophobicContact CD1-CD 4.13Å; T148-K195 PolarHBondContact O-NZ 3.25Å; T148-K195 WeakPolarHBondContact OG1-CD 3.47Å; T148-K195 WeakPolarHBondContact OG1-CE 3.19Å; S150-K195 PolarHBondContact OG-NZ 2.77Å; S151-K195 PolarHBondContact N-O 2.92Å; S151-K195 PolarHBondContact OG-N 2.92Å; Y169-K195 HydrophobicContact CD2-CB 4.31Å; Y169-K195 HydrophobicContact CE2-CB 3.89Å |
| 196 | L | 91.9 | Very high | 83 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.1 | -175.6 | -64.7 | -176.7 | 0 | 0 | 0 | 110.6 | D49 F50 I51 D52 R194 D318 | D49-L196 HydrophobicContact CB-CD1 4.03Å; F50-L196 PolarHBondContact O-N 2.66Å; I51-L196 CarbonylContact C-O 3.6Å; I51-L196 WeakPolarHBondContact CA-O 3.19Å; D52-L196 PolarHBondContact N-O 3.38Å; R194-L196 HydrophobicContact CB-CD1 4.44Å; R194-L196 HydrophobicContact CB-CD2 4.19Å; R194-L196 HydrophobicContact CB-CG 4Å; L196-D318 HydrophobicContact CD2-CB 3.73Å |
| 197 | T | 89.3 | Confident | 83.7 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.5 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L54 S150 V199 | L54-T197 HydrophobicContact CD2-CG2 3.84Å; S150-T197 PolarHBondContact OG-OG1 2.53Å; T197-V199 HydrophobicContact CG2-CG2 4.12Å |
| 198 | C | 87.2 | Confident | 84.4 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | trans | -119.5 | 121.5 | 168.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | I51 D52 T374 R375 | I51-C198 HydrophobicContact CG2-CB 3.31Å; D52-C198 PolarHBondContact O-N 3.16Å; C198-T374 WeakPolarHBondContact CA-OG1 3.43Å; C198-R375 HydrophobicContact CB-CG 4.07Å | ||
| 199 | V | 83.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | trans | -99.5 | 121.6 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | L54 T197 Y204 L233 I333 I372 T374 | L54-V199 HydrophobicContact CD1-CG1 4.23Å; L54-V199 HydrophobicContact CD1-CG2 4.36Å; T197-V199 HydrophobicContact CG2-CG2 4.12Å; V199-Y204 HydrophobicContact CG1-CD2 3.88Å; V199-Y204 HydrophobicContact CG1-CE2 3.41Å; V199-Y204 VanDerWaalsContact CG1-CE2 3.41Å; V199-L233 HydrophobicContact CB-CD1 3.8Å; V199-L233 HydrophobicContact CG1-CD1 3.58Å; V199-I333 HydrophobicContact CG2-CD1 4Å; V199-I333 HydrophobicContact CG2-CG1 3.72Å; V199-I372 HydrophobicContact CB-CG2 4.48Å; V199-I372 HydrophobicContact CG2-CG2 4.21Å; V199-T374 HydrophobicContact CB-CG2 4.22Å; V199-T374 PolarHBondContact N-OG1 3.42Å; V199-T374 VanDerWaalsContact N-OG1 3.08Å | ||
| 200 | P | 79.7 | Confident | 85 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | trans | -70.1 | 133.2 | 178.5 | 26.6 | -31.5 | 0 | 0 | 0 | 110.6 | S202 L203 | P200-S202 PolarHBondContact O-N 3.26Å; P200-S202 VanDerWaalsContact O-N 3.16Å; P200-L203 HydrophobicContact CG-CD1 3.64Å; P200-L203 HydrophobicContact CG-CG 3.98Å; P200-L203 PolarHBondContact O-N 2.85Å | ||
| 201 | I | 73.5 | Confident | 85.2 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -61.8 | -24.9 | -176.8 | -162.5 | 164 | 0 | 0 | 0 | 113 | L203 Y204 L233 | I201-L203 PolarHBondContact O-N 2.85Å; I201-L203 VanDerWaalsContact O-N 3.11Å; I201-Y204 PolarHBondContact O-N 2.83Å; I201-L233 HydrophobicContact CG1-CD2 4.47Å |
| 202 | S | 70.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -61.7 | -19.2 | -179.7 | 52.9 | 0 | 0 | 0 | 0 | 114 | P200 | P200-S202 PolarHBondContact O-N 3.26Å; P200-S202 VanDerWaalsContact O-N 3.16Å |
| 203 | L | 69.7 | Low | 85.1 | Confident | 106 Ų | 106 | 55.3 Ų | 55.3 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -82.7 | -17.4 | -179.5 | -64.5 | 177.5 | 0 | 0 | 0 | 113.7 | L54 P200 I201 | L54-L203 HydrophobicContact CD1-CD1 4.32Å; P200-L203 HydrophobicContact CG-CD1 3.64Å; P200-L203 HydrophobicContact CG-CG 3.98Å; P200-L203 PolarHBondContact O-N 2.85Å; I201-L203 PolarHBondContact O-N 2.85Å; I201-L203 VanDerWaalsContact O-N 3.11Å |
| 204 | Y | 70.6 | Confident | 84.8 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | trans | -132.6 | 114.6 | -170.7 | -61.4 | -83.4 | 0 | 0 | 0 | 111 | V199 I201 E232 L233 I372 | V199-Y204 HydrophobicContact CG1-CD2 3.88Å; V199-Y204 HydrophobicContact CG1-CE2 3.41Å; V199-Y204 VanDerWaalsContact CG1-CE2 3.41Å; I201-Y204 PolarHBondContact O-N 2.83Å; Y204-E232 HydrophobicContact CD1-CG 4.27Å; Y204-E232 WeakPolarHBondContact CD1-OE2 3.39Å; Y204-L233 HydrophobicContact CD2-CD1 4.07Å; Y204-I372 HydrophobicContact CD1-CD1 3.89Å; Y204-I372 HydrophobicContact CD2-CD1 4.12Å; Y204-I372 HydrophobicContact CE1-CD1 3.47Å; Y204-I372 VanDerWaalsContact CE1-CD1 3.47Å; Y204-I372 HydrophobicContact CE2-CD1 3.77Å; Y204-I372 HydrophobicContact CG-CD1 4.18Å; Y204-I372 VanDerWaalsContact CZ-CD1 3.41Å | ||
| 205 | S | 68.1 | Low | 84.4 | Confident | 124 Ų | 124 | 64 Ų | 64 | 87% | 0.867 | 36% | 0.363 | S | S | * | . | trans | -134.4 | -2.7 | -177.3 | 61 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 206 | C | 77.8 | Confident | 83.9 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 58% | 0.581 | 37% | 0.368 | S | S | * | . | trans | -81 | 146.1 | 177.8 | -159.9 | 0 | 0 | 0 | 0 | 109.9 | P208 E232 | C206-P208 WeakPolarHBondContact O-CD 3.33Å; C206-E232 WeakPolarHBondContact O-CB 3.24Å | ||
| 207 | Q | 86.9 | Confident | 83.1 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | trans | -91 | 115.1 | 171.6 | -73.5 | 179.7 | 7.6 | 0 | 0 | 108.4 | S209 L229 | Q207-S209 PolarHBondContact O-N 2.82Å; Q207-L229 WeakPolarHBondContact CB-O 3.48Å; Q207-L229 WeakPolarHBondContact CG-O 3.43Å | ||
| 208 | P | 91.3 | Very high | 82.4 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 10% | 0.104 | 44% | 0.44 | C | S | . | . | trans | -60 | 126 | 174 | -22.2 | 32.2 | 0 | 0 | 0 | 109.9 | C206 S228 L229 E232 L369 | C206-P208 WeakPolarHBondContact O-CD 3.33Å; P208-S228 CarbonylContact O-C 3.53Å; P208-S228 VanDerWaalsContact O-CA 3.26Å; P208-S228 WeakPolarHBondContact O-CA 3.44Å; P208-L229 HydrophobicContact CB-CD1 4.33Å; P208-L229 HydrophobicContact CB-CG 4.49Å; P208-L229 HydrophobicContact CG-CB 4.46Å; P208-L229 HydrophobicContact CG-CD1 4.28Å; P208-L229 PolarHBondContact O-N 2.8Å; P208-E232 HydrophobicContact CG-CB 3.87Å; P208-E232 HydrophobicContact CG-CG 4.01Å; P208-L369 HydrophobicContact CB-CB 4.48Å; P208-L369 HydrophobicContact CB-CD2 4.32Å | ||
| 209 | S | 93.8 | Very high | 81.8 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 57% | 0.573 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.6 | 174.4 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | Q207 A227 | Q207-S209 PolarHBondContact O-N 2.82Å; S209-A227 CarbonylContact C-O 3.5Å; S209-A227 VanDerWaalsContact CA-O 3.24Å; S209-A227 WeakPolarHBondContact CA-O 3.41Å |
| 210 | F | 94.8 | Very high | 81.5 | Confident | 29 Ų | 29 | 86.4 Ų | 86.4 | 13% | 0.127 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.1 | 166.9 | 74.8 | -111.3 | 0 | 0 | 0 | 109.5 | L212 V225 E226 A227 V353 L369 | F210-L212 HydrophobicContact CD2-CB 4.42Å; F210-L212 HydrophobicContact CD2-CD1 3.92Å; F210-L212 HydrophobicContact CD2-CG 3.78Å; F210-L212 HydrophobicContact CE2-CD1 3.89Å; F210-L212 HydrophobicContact CE2-CG 4.12Å; F210-V225 HydrophobicContact CE2-CG1 4.19Å; F210-E226 WeakPolarHBondContact O-CA 3.41Å; F210-A227 HydrophobicContact CD1-CB 4.34Å; F210-A227 HydrophobicContact CE1-CB 3.64Å; F210-A227 HydrophobicContact CE2-CB 4.13Å; F210-A227 HydrophobicContact CZ-CB 3.49Å; F210-A227 VanDerWaalsContact CZ-CB 3.49Å; F210-A227 PolarHBondContact N-O 2.73Å; F210-A227 PolarHBondContact O-N 3.19Å; F210-V353 HydrophobicContact CE1-CB 4.42Å; F210-V353 HydrophobicContact CE1-CG2 4.26Å; F210-V353 HydrophobicContact CZ-CB 4.03Å; F210-V353 HydrophobicContact CZ-CG2 4.24Å; F210-L369 HydrophobicContact CB-CD2 4.04Å; F210-L369 HydrophobicContact CD1-CD1 4.16Å; F210-L369 HydrophobicContact CD1-CD2 3.39Å; F210-L369 HydrophobicContact CD1-CG 3.48Å; F210-L369 VanDerWaalsContact CD1-CG 3.48Å; F210-L369 HydrophobicContact CE1-CD1 4.17Å; F210-L369 HydrophobicContact CE1-CD2 4.21Å; F210-L369 HydrophobicContact CE1-CG 3.82Å; F210-L369 HydrophobicContact CG-CD2 4.12Å |
| 211 | E | 95 | Very high | 81.6 | Confident | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.7 | 173.3 | -170 | -173.5 | 140.2 | 0 | 0 | 108.3 | H224 | E211-H224 VanDerWaalsContact CD-CE1 3.49Å; E211-H224 WeakPolarHBondContact CG-CE1 2.89Å; E211-H224 IonicContact OE1-CE1 3.38Å; E211-H224 PolarHBondContact OE1-CE1 3.48Å |
| 212 | L | 92.4 | Very high | 82.4 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.9 | -179.8 | -70.2 | 175.5 | 0 | 0 | 0 | 110.1 | F210 V225 L365 C366 G367 | F210-L212 HydrophobicContact CD2-CB 4.42Å; F210-L212 HydrophobicContact CD2-CD1 3.92Å; F210-L212 HydrophobicContact CD2-CG 3.78Å; F210-L212 HydrophobicContact CE2-CD1 3.89Å; F210-L212 HydrophobicContact CE2-CG 4.12Å; L212-V225 PolarHBondContact N-O 2.89Å; L212-V225 PolarHBondContact O-N 2.82Å; L212-L365 HydrophobicContact CB-CD1 4.34Å; L212-L365 HydrophobicContact CD1-CD1 4.46Å; L212-C366 WeakPolarHBondContact CD1-O 3.42Å; L212-G367 VanDerWaalsContact CD1-CA 3.43Å |
| 213 | S | 90.5 | Very high | 83.4 | Confident | 68 Ų | 68 | 79.3 Ų | 79.3 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.9 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | L223 H224 | S213-L223 CarbonylContact C-O 3.54Å; S213-L223 WeakPolarHBondContact CA-O 3.44Å; S213-H224 PolarHBondContact OG-ND1 2.6Å |
| 214 | K | 87.7 | Confident | 84.5 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.8 | 176.8 | -173.4 | 169.1 | -176.2 | 170.3 | 0 | 110.5 | F216 L223 E364 L365 | K214-F216 HydrophobicContact CB-CZ 4.44Å; K214-F216 HydrophobicContact CD-CE1 4.21Å; K214-F216 HydrophobicContact CD-CZ 4.12Å; K214-F216 HydrophobicContact CG-CE1 4.33Å; K214-F216 HydrophobicContact CG-CE2 4.46Å; K214-F216 HydrophobicContact CG-CZ 4.06Å; K214-F216 WeakPolarHBondContact O-CE2 3.3Å; K214-L223 PolarHBondContact N-O 3.07Å; K214-L223 PolarHBondContact O-N 3.29Å; K214-E364 PolarHBondContact NZ-O 2.8Å; K214-E364 VanDerWaalsContact NZ-O 3.12Å; K214-L365 HydrophobicContact CB-CD1 4.15Å; K214-L365 HydrophobicContact CB-CD2 4.32Å; K214-L365 HydrophobicContact CD-CD1 4.22Å |
| 215 | D | 85.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 68% | 0.684 | 42% | 0.419 | S | S | * | . | trans | -86.8 | 158.5 | 170.3 | 65.1 | -51.1 | 0 | 0 | 0 | 110.9 | ||||
| 216 | F | 81.6 | Confident | 87 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | trans | -130.4 | 141.8 | 178.3 | -60.2 | -87.2 | 0 | 0 | 0 | 110 | K214 M218 S219 L223 K252 L357 | K214-F216 HydrophobicContact CB-CZ 4.44Å; K214-F216 HydrophobicContact CD-CE1 4.21Å; K214-F216 HydrophobicContact CD-CZ 4.12Å; K214-F216 HydrophobicContact CG-CE1 4.33Å; K214-F216 HydrophobicContact CG-CE2 4.46Å; K214-F216 HydrophobicContact CG-CZ 4.06Å; K214-F216 WeakPolarHBondContact O-CE2 3.3Å; F216-M218 PolarHBondContact O-N 3.3Å; F216-S219 WeakPolarHBondContact O-CB 3.38Å; F216-S219 PolarHBondContact O-N 3.2Å; F216-L223 HydrophobicContact CE2-CB 3.67Å; F216-L223 HydrophobicContact CE2-CD2 4.43Å; F216-L223 HydrophobicContact CZ-CB 4.26Å; F216-L223 HydrophobicContact CZ-CD2 4.24Å; F216-K252 HydrophobicContact CB-CG 4.46Å; F216-K252 HydrophobicContact CD1-CG 3.81Å; F216-K252 HydrophobicContact CD2-CG 4.16Å; F216-K252 HydrophobicContact CE1-CG 4.07Å; F216-K252 HydrophobicContact CE2-CG 4.39Å; F216-K252 HydrophobicContact CG-CG 3.87Å; F216-K252 HydrophobicContact CZ-CG 4.36Å; F216-L357 HydrophobicContact CE1-CD1 3.44Å; F216-L357 VanDerWaalsContact CE1-CD1 3.44Å; F216-L357 HydrophobicContact CZ-CD1 3.33Å | ||
| 217 | I | 76.8 | Confident | 87.9 | Confident | 142 Ų | 142 | 66.3 Ų | 66.3 | 73% | 0.728 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131.8 | 174.5 | -53.3 | 176.1 | 0 | 0 | 0 | 109 | S219 | I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.1Å |
| 218 | M | 72.9 | Confident | 88.3 | Confident | 177 Ų | 177 | 62 Ų | 62 | 87% | 0.872 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 19.3 | -173.8 | -56.5 | 173.7 | -75.9 | 0 | 0 | 115.6 | F216 N251 | F216-M218 PolarHBondContact O-N 3.3Å; M218-N251 PolarHBondContact O-ND2 3.01Å |
| 219 | S | 76.4 | Confident | 88.5 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | trans | -116.5 | 131.4 | 169.8 | -162 | 0 | 0 | 0 | 0 | 110.5 | F216 I217 G221 S250 N251 | F216-S219 WeakPolarHBondContact O-CB 3.38Å; F216-S219 PolarHBondContact O-N 3.2Å; I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.1Å; S219-G221 VanDerWaalsContact C-N 3.3Å; S219-G221 PolarHBondContact OG-O 2.8Å; S219-S250 WeakPolarHBondContact OG-CA 3.16Å; S219-N251 PolarHBondContact OG-N 2.72Å | ||
| 220 | A | 76.7 | Confident | 88.5 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 99% | 0.992 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -79.4 | -15 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 221 | G | 82.3 | Confident | 88.3 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -113.7 | 160.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S219 N249 | S219-G221 VanDerWaalsContact C-N 3.3Å; S219-G221 PolarHBondContact OG-O 2.8Å; G221-N249 WeakPolarHBondContact CA-O 3.42Å |
| 222 | L | 89.4 | Confident | 88.1 | Confident | 76 Ų | 76 | 58 Ų | 58 | 40% | 0.398 | 32% | 0.322 | S | S | . | . | trans | -106.6 | 151.8 | -176.7 | 56.7 | 90.6 | 0 | 0 | 0 | 111.6 | H224 N249 | L222-H224 HydrophobicContact CD1-CB 3.74Å; L222-N249 WeakPolarHBondContact O-CB 3.36Å; L222-N249 PolarHBondContact O-N 3.27Å; L222-N249 VanDerWaalsContact O-N 3.08Å | ||
| 223 | L | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.6 | 164.2 | 174.5 | 66 | 0 | 0 | 0 | 108.2 | S213 K214 F216 V225 I246 N248 V254 L355 L357 L365 | S213-L223 CarbonylContact C-O 3.54Å; S213-L223 WeakPolarHBondContact CA-O 3.44Å; K214-L223 PolarHBondContact N-O 3.07Å; K214-L223 PolarHBondContact O-N 3.29Å; F216-L223 HydrophobicContact CE2-CB 3.67Å; F216-L223 HydrophobicContact CE2-CD2 4.43Å; F216-L223 HydrophobicContact CZ-CB 4.26Å; F216-L223 HydrophobicContact CZ-CD2 4.24Å; L223-V225 HydrophobicContact CG-CG2 4.49Å; L223-I246 HydrophobicContact CD1-CG2 3.85Å; L223-N248 HydrophobicContact CD1-CB 3.82Å; L223-V254 HydrophobicContact CD1-CG2 3.88Å; L223-V254 HydrophobicContact CD2-CG2 4.21Å; L223-L355 HydrophobicContact CD2-CD1 4.4Å; L223-L357 HydrophobicContact CD2-CD1 4.26Å; L223-L357 HydrophobicContact CD2-CD2 3.47Å; L223-L357 VanDerWaalsContact CD2-CD2 3.47Å; L223-L357 HydrophobicContact CD2-CG 4.49Å; L223-L365 HydrophobicContact CD2-CD2 3.89Å; L223-L365 HydrophobicContact CG-CD2 4.1Å |
| 224 | H | 93.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.1 | -179.1 | -174.3 | 76.3 | 0 | 0 | 0 | 110.7 | E211 S213 L222 I246 Q247 | E211-H224 VanDerWaalsContact CD-CE1 3.49Å; E211-H224 WeakPolarHBondContact CG-CE1 2.89Å; E211-H224 IonicContact OE1-CE1 3.38Å; E211-H224 PolarHBondContact OE1-CE1 3.48Å; S213-H224 PolarHBondContact OG-ND1 2.6Å; L222-H224 HydrophobicContact CD1-CB 3.74Å; H224-I246 WeakPolarHBondContact O-CA 3.5Å; H224-Q247 HydrophobicContact CB-CB 4.19Å; H224-Q247 PolarHBondContact N-O 3.24Å; H224-Q247 PolarHBondContact O-N 3.39Å |
| 225 | V | 94.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 124.4 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | F210 L212 L223 V244 Y245 I246 L355 L365 | F210-V225 HydrophobicContact CE2-CG1 4.19Å; L212-V225 PolarHBondContact N-O 2.89Å; L212-V225 PolarHBondContact O-N 2.82Å; L223-V225 HydrophobicContact CG-CG2 4.49Å; V225-V244 HydrophobicContact CG1-CG1 4.4Å; V225-Y245 WeakPolarHBondContact CA-O 3.33Å; V225-I246 HydrophobicContact CG2-CG2 4.46Å; V225-L355 HydrophobicContact CG1-CD1 4.46Å; V225-L355 HydrophobicContact CG2-CD1 3.27Å; V225-L355 HydrophobicContact CG2-CG 4.3Å; V225-L365 HydrophobicContact CB-CD2 4.25Å; V225-L365 HydrophobicContact CG2-CD2 3.44Å; V225-L365 VanDerWaalsContact CG2-CD2 3.44Å; V225-L365 HydrophobicContact CG2-CG 4.38Å |
| 226 | E | 96 | Very high | 88.7 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.9 | 170.5 | -176.1 | -171.6 | 169.7 | 0 | 0 | 107.9 | F210 Y245 | F210-E226 WeakPolarHBondContact O-CA 3.41Å; E226-Y245 HydrophobicContact CB-CD1 4.39Å; E226-Y245 PolarHBondContact N-O 3.38Å; E226-Y245 PolarHBondContact O-N 2.92Å |
| 227 | A | 96.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S209 F210 N243 V244 V353 L369 | S209-A227 CarbonylContact C-O 3.5Å; S209-A227 VanDerWaalsContact CA-O 3.24Å; S209-A227 WeakPolarHBondContact CA-O 3.41Å; F210-A227 HydrophobicContact CD1-CB 4.34Å; F210-A227 HydrophobicContact CE1-CB 3.64Å; F210-A227 HydrophobicContact CE2-CB 4.13Å; F210-A227 HydrophobicContact CZ-CB 3.49Å; F210-A227 VanDerWaalsContact CZ-CB 3.49Å; F210-A227 PolarHBondContact N-O 2.73Å; F210-A227 PolarHBondContact O-N 3.19Å; A227-N243 CarbonylContact C-O 3.51Å; A227-N243 WeakPolarHBondContact CA-O 3.35Å; A227-V244 HydrophobicContact CB-CG2 4.2Å; A227-V353 HydrophobicContact CB-CG2 4.18Å; A227-L369 HydrophobicContact CB-CD1 4.12Å |
| 228 | S | 96.2 | Very high | 90 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.5 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | P208 N243 | P208-S228 CarbonylContact O-C 3.53Å; P208-S228 VanDerWaalsContact O-CA 3.26Å; P208-S228 WeakPolarHBondContact O-CA 3.44Å; S228-N243 PolarHBondContact N-O 3.22Å; S228-N243 PolarHBondContact O-N 3.17Å; S228-N243 PolarHBondContact OG-ND2 2.81Å |
| 229 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 149.2 | 170.1 | -58.8 | -176.6 | 0 | 0 | 0 | 110 | Q207 P208 K231 Y234 I240 V242 V351 L369 F371 | Q207-L229 WeakPolarHBondContact CB-O 3.48Å; Q207-L229 WeakPolarHBondContact CG-O 3.43Å; P208-L229 HydrophobicContact CB-CD1 4.33Å; P208-L229 HydrophobicContact CB-CG 4.49Å; P208-L229 HydrophobicContact CG-CB 4.46Å; P208-L229 HydrophobicContact CG-CD1 4.28Å; P208-L229 PolarHBondContact O-N 2.8Å; L229-K231 WeakPolarHBondContact CB-O 3.41Å; L229-K231 PolarHBondContact O-N 2.95Å; L229-Y234 HydrophobicContact CD1-CE2 4.38Å; L229-I240 HydrophobicContact CD2-CG2 4.07Å; L229-V242 HydrophobicContact CD2-CB 4.27Å; L229-V242 HydrophobicContact CD2-CG1 4.18Å; L229-V242 HydrophobicContact CD2-CG2 3.76Å; L229-V351 HydrophobicContact CD1-CG2 4.21Å; L229-V351 HydrophobicContact CD2-CB 4.28Å; L229-V351 HydrophobicContact CD2-CG1 4.48Å; L229-V351 HydrophobicContact CD2-CG2 3.93Å; L229-L369 HydrophobicContact CD1-CB 4.01Å; L229-L369 HydrophobicContact CD2-CD1 3.9Å; L229-L369 HydrophobicContact CG-CB 4.11Å; L229-L369 HydrophobicContact CG-CD1 3.75Å; L229-F371 HydrophobicContact CD1-CB 3.81Å; L229-F371 HydrophobicContact CD1-CD1 4.39Å; L229-F371 HydrophobicContact CD1-CG 4.4Å |
| 230 | D | 92.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -67.6 | -27.5 | 175.3 | 65.5 | -56.7 | 0 | 0 | 0 | 112.7 | Y234 F241 | D230-Y234 WeakPolarHBondContact OD1-CE1 2.89Å; D230-Y234 PolarHBondContact OD1-OH 2.75Å; D230-F241 HydrophobicContact CB-CB 4.26Å; D230-F241 PolarHBondContact N-O 3.25Å; D230-F241 WeakPolarHBondContact OD1-CB 3.44Å; D230-F241 PolarHBondContact OD1-N 3.07Å |
| 231 | K | 91.4 | Very high | 92.8 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 35% | 0.352 | 19% | 0.185 | S | C | . | . | trans | -144.9 | 159.3 | 179.5 | -56.6 | 176 | -164.1 | 173.3 | 0 | 110.8 | L229 Y234 E238 | L229-K231 WeakPolarHBondContact CB-O 3.41Å; L229-K231 PolarHBondContact O-N 2.95Å; K231-Y234 HydrophobicContact CB-CE1 4.16Å; K231-Y234 HydrophobicContact CB-CE2 4.32Å; K231-Y234 HydrophobicContact CD-CE1 4.49Å; K231-Y234 PolarHBondContact N-OH 3.27Å; K231-Y234 WeakPolarHBondContact O-CE2 3.38Å; K231-Y234 PolarHBondContact O-OH 3.14Å; K231-E238 IonicContact NZ-OE1 2.66Å; K231-E238 PolarHBondContact NZ-OE1 3.17Å | ||
| 232 | E | 91.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -86.5 | -27.5 | 169.3 | -175.2 | 171.2 | -171.4 | 0 | 0 | 112.5 | Y204 C206 P208 F371 I372 | Y204-E232 HydrophobicContact CD1-CG 4.27Å; Y204-E232 WeakPolarHBondContact CD1-OE2 3.39Å; C206-E232 WeakPolarHBondContact O-CB 3.24Å; P208-E232 HydrophobicContact CG-CB 3.87Å; P208-E232 HydrophobicContact CG-CG 4.01Å; E232-F371 CarbonylContact O-C 3.58Å; E232-F371 WeakPolarHBondContact O-CA 3.45Å; E232-F371 WeakPolarHBondContact O-CB 3.43Å; E232-I372 PolarHBondContact O-N 2.83Å |
| 233 | L | 92.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.4 | -176.6 | -175.9 | 154.1 | 0 | 0 | 0 | 110.9 | V199 I201 Y204 Y235 I372 T374 | V199-L233 HydrophobicContact CB-CD1 3.8Å; V199-L233 HydrophobicContact CG1-CD1 3.58Å; I201-L233 HydrophobicContact CG1-CD2 4.47Å; Y204-L233 HydrophobicContact CD2-CD1 4.07Å; L233-Y235 HydrophobicContact CD2-CD1 4.43Å; L233-Y235 HydrophobicContact CD2-CE1 4.02Å; L233-I372 CarbonylContact C-O 3.52Å; L233-I372 WeakPolarHBondContact CA-O 3.21Å; L233-I372 HydrophobicContact CB-CB 4.47Å; L233-I372 HydrophobicContact CD1-CG2 4.29Å; L233-I372 HydrophobicContact CG-CB 4.48Å; L233-I372 HydrophobicContact CG-CG2 4.32Å; L233-T374 HydrophobicContact CD1-CG2 3.97Å; L233-T374 HydrophobicContact CD2-CG2 3.62Å; L233-T374 HydrophobicContact CG-CG2 3.79Å |
| 234 | Y | 92.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.8 | 177 | -63.4 | -87.4 | 0 | 0 | 0 | 111.1 | L229 D230 K231 E238 I240 F371 I372 L373 T374 | L229-Y234 HydrophobicContact CD1-CE2 4.38Å; D230-Y234 WeakPolarHBondContact OD1-CE1 2.89Å; D230-Y234 PolarHBondContact OD1-OH 2.75Å; K231-Y234 HydrophobicContact CB-CE1 4.16Å; K231-Y234 HydrophobicContact CB-CE2 4.32Å; K231-Y234 HydrophobicContact CD-CE1 4.49Å; K231-Y234 PolarHBondContact N-OH 3.27Å; K231-Y234 WeakPolarHBondContact O-CE2 3.38Å; K231-Y234 PolarHBondContact O-OH 3.14Å; Y234-E238 HydrophobicContact CD1-CG 4.29Å; Y234-I240 HydrophobicContact CD1-CG1 3.91Å; Y234-I240 HydrophobicContact CD2-CG1 4.1Å; Y234-I240 HydrophobicContact CE1-CB 4.2Å; Y234-I240 HydrophobicContact CE1-CG1 4.09Å; Y234-I240 HydrophobicContact CE1-CG2 4.24Å; Y234-I240 HydrophobicContact CE2-CG1 4.25Å; Y234-I240 HydrophobicContact CE2-CG2 4.03Å; Y234-I240 HydrophobicContact CG-CG1 3.9Å; Y234-F371 HydrophobicContact CD2-CB 4.28Å; Y234-F371 AromaticContact CD2-CD2 3.72Å; Y234-F371 HydrophobicContact CD2-CD2 3.72Å; Y234-F371 HydrophobicContact CD2-CE2 4.39Å; Y234-F371 HydrophobicContact CD2-CG 4.25Å; Y234-F371 HydrophobicContact CE2-CB 4.26Å; Y234-F371 HydrophobicContact CE2-CD2 4.36Å; Y234-F371 HydrophobicContact CE2-CG 4.46Å; Y234-I372 PolarHBondContact N-O 2.81Å; Y234-L373 WeakPolarHBondContact O-CA 3.14Å; Y234-T374 PolarHBondContact O-N 3.17Å |
| 235 | Y | 92.2 | Very high | 94.2 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 152.2 | 171.7 | -63.4 | -59.8 | 0 | 0 | 0 | 112.4 | L233 G237 E238 T374 R375 P376 | L233-Y235 HydrophobicContact CD2-CD1 4.43Å; L233-Y235 HydrophobicContact CD2-CE1 4.02Å; Y235-G237 PolarHBondContact O-N 3.02Å; Y235-E238 PolarHBondContact N-OE2 2.99Å; Y235-E238 WeakPolarHBondContact O-CB 3.45Å; Y235-E238 PolarHBondContact O-N 2.64Å; Y235-T374 CarbonylContact C-O 3.59Å; Y235-T374 VanDerWaalsContact CA-O 3.26Å; Y235-T374 WeakPolarHBondContact CA-O 3.33Å; Y235-T374 HydrophobicContact CD1-CG2 3.82Å; Y235-T374 HydrophobicContact CE1-CG2 3.83Å; Y235-R375 VanDerWaalsContact CD1-C 3.42Å; Y235-R375 VanDerWaalsContact CD1-O 3.3Å; Y235-R375 WeakPolarHBondContact CD1-O 3.4Å; Y235-R375 WeakPolarHBondContact CE1-O 3.32Å; Y235-P376 VanDerWaalsContact CD1-CA 3.47Å; Y235-P376 HydrophobicContact CD1-CB 4.07Å; Y235-P376 HydrophobicContact CE1-CB 4.43Å; Y235-P376 HydrophobicContact CG-CB 4.21Å |
| 236 | H | 92 | Very high | 94.2 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 124 | 169.8 | -70.3 | -64.2 | 0 | 0 | 0 | 110.6 | L328 S330 L373 T374 | H236-L328 PolarHBondContact CE1-O 3.5Å; H236-L328 PolarHBondContact NE2-O 3.13Å; H236-S330 PolarHBondContact NE2-OG 3.11Å; H236-L373 VanDerWaalsContact CE1-CD2 3.44Å; H236-L373 WeakPolarHBondContact CE1-CD2 3.14Å; H236-L373 WeakPolarHBondContact ND1-CD2 3.3Å; H236-T374 PolarHBondContact CD2-O 3.13Å; H236-T374 VanDerWaalsContact CD2-O 3.28Å; H236-T374 PolarHBondContact N-O 3.41Å |
| 237 | G | 91.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 46% | 0.464 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y235 C303 | Y235-G237 PolarHBondContact O-N 3.02Å; G237-C303 PolarHBondContact O-SG 3.33Å |
| 238 | E | 92.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 149.3 | 170.4 | -166.9 | 173.2 | -179.1 | 0 | 0 | 110.6 | K231 Y234 Y235 | K231-E238 IonicContact NZ-OE1 2.66Å; K231-E238 PolarHBondContact NZ-OE1 3.17Å; Y234-E238 HydrophobicContact CD1-CG 4.29Å; Y235-E238 PolarHBondContact N-OE2 2.99Å; Y235-E238 WeakPolarHBondContact O-CB 3.45Å; Y235-E238 PolarHBondContact O-N 2.64Å |
| 239 | S | 94.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -88.3 | 131.1 | 174 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 240 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.8 | 176.5 | -58 | 172.6 | 0 | 0 | 0 | 108.2 | L229 Y234 V242 V261 S301 L302 P304 V351 F371 | L229-I240 HydrophobicContact CD2-CG2 4.07Å; Y234-I240 HydrophobicContact CD1-CG1 3.91Å; Y234-I240 HydrophobicContact CD2-CG1 4.1Å; Y234-I240 HydrophobicContact CE1-CB 4.2Å; Y234-I240 HydrophobicContact CE1-CG1 4.09Å; Y234-I240 HydrophobicContact CE1-CG2 4.24Å; Y234-I240 HydrophobicContact CE2-CG1 4.25Å; Y234-I240 HydrophobicContact CE2-CG2 4.03Å; Y234-I240 HydrophobicContact CG-CG1 3.9Å; I240-V242 HydrophobicContact CG2-CG2 4.13Å; I240-V261 HydrophobicContact CD1-CG1 4.48Å; I240-V261 HydrophobicContact CD1-CG2 4.24Å; I240-S301 WeakPolarHBondContact O-CA 3.36Å; I240-L302 WeakPolarHBondContact CB-O 3.47Å; I240-L302 PolarHBondContact N-O 2.8Å; I240-L302 PolarHBondContact O-N 3.3Å; I240-P304 HydrophobicContact CD1-CG 3.87Å; I240-V351 HydrophobicContact CG2-CG2 4.22Å; I240-F371 HydrophobicContact CD1-CD2 4.36Å; I240-F371 HydrophobicContact CD1-CE1 4.15Å; I240-F371 HydrophobicContact CD1-CE2 3.64Å; I240-F371 HydrophobicContact CD1-CZ 3.5Å |
| 241 | F | 96 | Very high | 92.8 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 39% | 0.386 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121 | 175.2 | -60.3 | -84.1 | 0 | 0 | 0 | 110.4 | D230 V299 Y300 S301 | D230-F241 HydrophobicContact CB-CB 4.26Å; D230-F241 PolarHBondContact N-O 3.25Å; D230-F241 WeakPolarHBondContact OD1-CB 3.44Å; D230-F241 PolarHBondContact OD1-N 3.07Å; F241-V299 HydrophobicContact CB-CG1 4.11Å; F241-V299 HydrophobicContact CD1-CG1 4.31Å; F241-Y300 WeakPolarHBondContact CA-O 3.37Å; F241-S301 WeakPolarHBondContact CE1-OG 3.37Å |
| 242 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 108.3 | -178.3 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | L229 I240 V244 I259 V299 Y300 L302 V351 V353 | L229-V242 HydrophobicContact CD2-CB 4.27Å; L229-V242 HydrophobicContact CD2-CG1 4.18Å; L229-V242 HydrophobicContact CD2-CG2 3.76Å; I240-V242 HydrophobicContact CG2-CG2 4.13Å; V242-V244 HydrophobicContact CG1-CG2 3.92Å; V242-I259 HydrophobicContact CB-CD1 4.46Å; V242-I259 HydrophobicContact CG1-CD1 4.47Å; V242-I259 HydrophobicContact CG2-CG2 4.22Å; V242-V299 WeakPolarHBondContact O-CA 3.44Å; V242-Y300 PolarHBondContact N-O 2.92Å; V242-Y300 PolarHBondContact O-N 3.03Å; V242-L302 HydrophobicContact CG2-CD1 4.04Å; V242-V351 HydrophobicContact CG1-CG1 4.18Å; V242-V351 HydrophobicContact CG2-CG1 3.8Å; V242-V353 HydrophobicContact CG1-CG2 4.2Å |
| 243 | N | 96.5 | Very high | 92.5 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.4 | 172.3 | -54.4 | -49.7 | 0 | 0 | 0 | 108.1 | A227 S228 V299 | A227-N243 CarbonylContact C-O 3.51Å; A227-N243 WeakPolarHBondContact CA-O 3.35Å; S228-N243 PolarHBondContact N-O 3.22Å; S228-N243 PolarHBondContact O-N 3.17Å; S228-N243 PolarHBondContact OG-ND2 2.81Å; N243-V299 WeakPolarHBondContact OD1-CG1 3.26Å; N243-V299 WeakPolarHBondContact OD1-CG2 3.48Å |
| 244 | V | 95.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.4 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | V225 A227 V242 I246 I257 I259 T297 K298 Y300 V353 | V225-V244 HydrophobicContact CG1-CG1 4.4Å; A227-V244 HydrophobicContact CB-CG2 4.2Å; V242-V244 HydrophobicContact CG1-CG2 3.92Å; V244-I246 HydrophobicContact CG1-CD1 4.34Å; V244-I246 HydrophobicContact CG1-CG1 3.95Å; V244-I257 HydrophobicContact CB-CD1 4.31Å; V244-I257 HydrophobicContact CG1-CD1 3.85Å; V244-I257 HydrophobicContact CG2-CD1 4.23Å; V244-I259 HydrophobicContact CG2-CD1 4.21Å; V244-T297 WeakPolarHBondContact O-CA 3.37Å; V244-K298 PolarHBondContact N-O 2.96Å; V244-K298 PolarHBondContact O-N 2.83Å; V244-Y300 HydrophobicContact CB-CD2 4.45Å; V244-Y300 HydrophobicContact CB-CE2 4.22Å; V244-Y300 HydrophobicContact CG2-CD2 4.03Å; V244-Y300 HydrophobicContact CG2-CE2 4.21Å; V244-V353 HydrophobicContact CG1-CG1 4.36Å; V244-V353 HydrophobicContact CG2-CG1 4.33Å; V244-V353 HydrophobicContact CG2-CG2 4.42Å |
| 245 | Y | 95.7 | Very high | 92.4 | Very high | 67 Ų | 67 | 41 Ų | 41 | 26% | 0.263 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.4 | 170.6 | 176.6 | -112.5 | 0 | 0 | 0 | 109.6 | V225 E226 Q247 L296 T297 | V225-Y245 WeakPolarHBondContact CA-O 3.33Å; E226-Y245 HydrophobicContact CB-CD1 4.39Å; E226-Y245 PolarHBondContact N-O 3.38Å; E226-Y245 PolarHBondContact O-N 2.92Å; Y245-Q247 HydrophobicContact CE1-CB 4Å; Y245-L296 CarbonylContact C-O 3.43Å; Y245-L296 WeakPolarHBondContact CA-O 3.2Å; Y245-T297 VanDerWaalsContact CD2-OG1 3.31Å; Y245-T297 WeakPolarHBondContact CD2-OG1 3.46Å |
| 246 | I | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.2 | 178.3 | -53 | 173.3 | 0 | 0 | 0 | 107.5 | L223 H224 V225 V244 I257 F288 L290 T295 L296 L355 | L223-I246 HydrophobicContact CD1-CG2 3.85Å; H224-I246 WeakPolarHBondContact O-CA 3.5Å; V225-I246 HydrophobicContact CG2-CG2 4.46Å; V244-I246 HydrophobicContact CG1-CD1 4.34Å; V244-I246 HydrophobicContact CG1-CG1 3.95Å; I246-I257 HydrophobicContact CD1-CD1 4.44Å; I246-F288 HydrophobicContact CD1-CE1 4.15Å; I246-F288 HydrophobicContact CD1-CZ 3.79Å; I246-L290 HydrophobicContact CB-CD1 4.12Å; I246-L290 HydrophobicContact CD1-CD1 4.14Å; I246-L290 HydrophobicContact CG2-CD1 3.92Å; I246-T295 CarbonylContact O-C 3.49Å; I246-T295 WeakPolarHBondContact O-CA 3.38Å; I246-L296 HydrophobicContact CB-CB 4.4Å; I246-L296 HydrophobicContact CD1-CD2 4.28Å; I246-L296 PolarHBondContact N-O 3.38Å; I246-L296 PolarHBondContact O-N 2.68Å; I246-L355 HydrophobicContact CD1-CD1 3.84Å; I246-L355 HydrophobicContact CD1-CD2 3.59Å; I246-L355 HydrophobicContact CD1-CG 4.39Å; I246-L355 HydrophobicContact CG1-CD1 4.18Å; I246-L355 HydrophobicContact CG2-CD1 4.12Å |
| 247 | Q | 93.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 113.7 | 170.1 | 177.1 | 179.5 | 18.2 | 0 | 0 | 109.1 | H224 Y245 N249 T295 | H224-Q247 HydrophobicContact CB-CB 4.19Å; H224-Q247 PolarHBondContact N-O 3.24Å; H224-Q247 PolarHBondContact O-N 3.39Å; Y245-Q247 HydrophobicContact CE1-CB 4Å; Q247-N249 PolarHBondContact NE2-ND2 2.92Å; Q247-N249 VanDerWaalsContact NE2-ND2 3.19Å; Q247-T295 HydrophobicContact CB-CG2 4.11Å; Q247-T295 HydrophobicContact CG-CG2 3.93Å |
| 248 | N | 92.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 87.7 | -176.4 | -174.7 | 21.5 | 0 | 0 | 0 | 111.4 | L223 S250 K252 L290 G291 G293 G294 | L223-N248 HydrophobicContact CD1-CB 3.82Å; N248-S250 VanDerWaalsContact C-N 3.28Å; N248-S250 WeakPolarHBondContact OD1-CB 3.46Å; N248-S250 PolarHBondContact OD1-N 2.83Å; N248-S250 PolarHBondContact OD1-OG 2.9Å; N248-K252 PolarHBondContact ND2-O 2.84Å; N248-L290 PolarHBondContact ND2-O 3.35Å; N248-L290 VanDerWaalsContact ND2-O 3.15Å; N248-G291 PolarHBondContact ND2-O 3.06Å; N248-G293 WeakPolarHBondContact O-CA 3.5Å; N248-G293 PolarHBondContact O-N 3.08Å; N248-G294 PolarHBondContact N-O 3.25Å |
| 249 | N | 90.7 | Very high | 92.9 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | trans | -90.5 | 4.2 | 170.5 | -62.9 | -36 | 0 | 0 | 0 | 112.2 | G221 L222 Q247 | G221-N249 WeakPolarHBondContact CA-O 3.42Å; L222-N249 WeakPolarHBondContact O-CB 3.36Å; L222-N249 PolarHBondContact O-N 3.27Å; L222-N249 VanDerWaalsContact O-N 3.08Å; Q247-N249 PolarHBondContact NE2-ND2 2.92Å; Q247-N249 VanDerWaalsContact NE2-ND2 3.19Å | ||
| 250 | S | 86.3 | Confident | 93 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -80 | 171.1 | -178.9 | 83.1 | 0 | 0 | 0 | 0 | 112.7 | S219 N248 K252 I292 | S219-S250 WeakPolarHBondContact OG-CA 3.16Å; N248-S250 VanDerWaalsContact C-N 3.28Å; N248-S250 WeakPolarHBondContact OD1-CB 3.46Å; N248-S250 PolarHBondContact OD1-N 2.83Å; N248-S250 PolarHBondContact OD1-OG 2.9Å; S250-K252 VanDerWaalsContact C-N 3.27Å; S250-K252 PolarHBondContact O-N 3.41Å; S250-K252 PolarHBondContact OG-N 2.84Å; S250-K252 VanDerWaalsContact OG-N 3.12Å; S250-I292 WeakPolarHBondContact O-CG1 3.35Å; S250-I292 WeakPolarHBondContact O-CG2 3.22Å |
| 251 | N | 85.5 | Confident | 93.1 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 32% | 0.316 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -83.1 | 2.7 | 171.9 | 69.4 | 2.9 | 0 | 0 | 0 | 114 | M218 S219 | M218-N251 PolarHBondContact O-ND2 3.01Å; S219-N251 PolarHBondContact OG-N 2.72Å |
| 252 | K | 86.7 | Confident | 93.1 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 25% | 0.248 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -98.1 | 158.2 | 179.2 | -59 | -56.4 | -177.2 | -175.1 | 0 | 110.6 | F216 N248 S250 | F216-K252 HydrophobicContact CB-CG 4.46Å; F216-K252 HydrophobicContact CD1-CG 3.81Å; F216-K252 HydrophobicContact CD2-CG 4.16Å; F216-K252 HydrophobicContact CE1-CG 4.07Å; F216-K252 HydrophobicContact CE2-CG 4.39Å; F216-K252 HydrophobicContact CG-CG 3.87Å; F216-K252 HydrophobicContact CZ-CG 4.36Å; N248-K252 PolarHBondContact ND2-O 2.84Å; S250-K252 VanDerWaalsContact C-N 3.27Å; S250-K252 PolarHBondContact O-N 3.41Å; S250-K252 PolarHBondContact OG-N 2.84Å; S250-K252 VanDerWaalsContact OG-N 3.12Å |
| 253 | T | 88.6 | Confident | 93 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 29% | 0.288 | 15% | 0.151 | S | C | . | . | trans | -106.9 | 133.7 | 170.7 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | L290 S358 | T253-L290 VanDerWaalsContact CA-O 3.3Å; T253-L290 WeakPolarHBondContact CA-O 3.32Å; T253-S358 PolarHBondContact N-OG 3.26Å; T253-S358 WeakPolarHBondContact O-CB 3.47Å; T253-S358 PolarHBondContact O-N 2.95Å; T253-S358 PolarHBondContact O-OG 2.94Å; T253-S358 VanDerWaalsContact OG1-CB 3.25Å; T253-S358 WeakPolarHBondContact OG1-CB 3.49Å; T253-S358 PolarHBondContact OG1-OG 3.5Å | ||
| 254 | V | 91.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.7 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 107.4 | L223 F288 P289 L290 L355 L357 | L223-V254 HydrophobicContact CD1-CG2 3.88Å; L223-V254 HydrophobicContact CD2-CG2 4.21Å; V254-F288 HydrophobicContact CB-CD1 3.95Å; V254-F288 HydrophobicContact CB-CE1 3.79Å; V254-F288 HydrophobicContact CG1-CD1 3.85Å; V254-F288 HydrophobicContact CG1-CE1 3.39Å; V254-F288 HydrophobicContact CG1-CZ 4.41Å; V254-F288 WeakPolarHBondContact O-CD1 3.26Å; V254-P289 CarbonylContact O-C 3.53Å; V254-P289 WeakPolarHBondContact O-CA 3.47Å; V254-L290 HydrophobicContact CB-CB 4.16Å; V254-L290 HydrophobicContact CG2-CB 4.38Å; V254-L290 PolarHBondContact N-O 3.15Å; V254-L290 VanDerWaalsContact N-O 3.13Å; V254-L290 PolarHBondContact O-N 2.85Å; V254-L355 HydrophobicContact CG1-CB 3.95Å; V254-L355 HydrophobicContact CG1-CD1 4.23Å; V254-L355 HydrophobicContact CG1-CD2 4.27Å; V254-L355 HydrophobicContact CG1-CG 4.4Å; V254-L357 HydrophobicContact CB-CD2 4.32Å; V254-L357 HydrophobicContact CG1-CD2 4.28Å; V254-L357 HydrophobicContact CG2-CD2 3.81Å |
| 255 | K | 91.4 | Very high | 92.8 | Very high | 121 Ų | 121 | 33.5 Ų | 33.5 | 53% | 0.526 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -37.2 | -175 | -71.7 | -175.3 | 170.8 | -178.8 | 0 | 113.6 | F288 T356 S358 | K255-F288 WeakPolarHBondContact O-CB 3.38Å; K255-T356 PolarHBondContact N-O 3.03Å; K255-S358 VanDerWaalsContact CE-CB 3.47Å |
| 256 | K | 92.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 31.3 Ų | 31.3 | 32% | 0.322 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 162.1 | -175.1 | 59.1 | 178.3 | -174.5 | 176.7 | 0 | 110.9 | E283 T356 | K256-E283 HydrophobicContact CD-CG 4.48Å; K256-E283 VanDerWaalsContact CD-OE1 3.25Å; K256-E283 WeakPolarHBondContact CD-OE1 3.23Å; K256-E283 WeakPolarHBondContact CE-OE1 3.45Å; K256-E283 IonicContact NZ-OE1 3.01Å; K256-E283 PolarHBondContact NZ-OE1 2.9Å; K256-T356 WeakPolarHBondContact CE-OG1 3.25Å; K256-T356 PolarHBondContact O-N 2.81Å; K256-T356 VanDerWaalsContact O-N 3.08Å |
| 257 | I | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.2 | 171.5 | -176.3 | 168.9 | 0 | 0 | 0 | 110.3 | V244 I246 I259 S284 F288 Y300 V353 R354 L355 | V244-I257 HydrophobicContact CB-CD1 4.31Å; V244-I257 HydrophobicContact CG1-CD1 3.85Å; V244-I257 HydrophobicContact CG2-CD1 4.23Å; I246-I257 HydrophobicContact CD1-CD1 4.44Å; I257-I259 HydrophobicContact CD1-CD1 4.35Å; I257-I259 HydrophobicContact CD1-CG1 4.31Å; I257-I259 HydrophobicContact CG1-CG1 4.19Å; I257-S284 WeakPolarHBondContact CG2-O 3.29Å; I257-S284 PolarHBondContact N-O 2.96Å; I257-S284 PolarHBondContact O-N 2.81Å; I257-F288 HydrophobicContact CB-CE2 3.86Å; I257-F288 HydrophobicContact CB-CZ 3.78Å; I257-F288 HydrophobicContact CG2-CD2 4.37Å; I257-F288 HydrophobicContact CG2-CE2 3.39Å; I257-F288 HydrophobicContact CG2-CZ 3.83Å; I257-Y300 HydrophobicContact CD1-CE2 3.97Å; I257-Y300 HydrophobicContact CG2-CE1 4.36Å; I257-Y300 WeakPolarHBondContact CG2-OH 3.29Å; I257-V353 HydrophobicContact CD1-CG1 3.92Å; I257-V353 HydrophobicContact CG1-CG1 4.26Å; I257-R354 WeakPolarHBondContact CA-O 3.49Å; I257-L355 HydrophobicContact CB-CD2 3.79Å; I257-L355 HydrophobicContact CD1-CD2 3.86Å; I257-L355 HydrophobicContact CG1-CD2 3.68Å |
| 258 | K | 95.4 | Very high | 91.6 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 16% | 0.161 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.5 | 173.3 | -173.3 | -172.4 | 177.4 | -156.6 | 0 | 108.4 | I260 E278 K281 L282 R354 | K258-I260 HydrophobicContact CD-CD1 3.7Å; K258-I260 HydrophobicContact CD-CG1 3.99Å; K258-I260 HydrophobicContact CG-CD1 4.08Å; K258-I260 HydrophobicContact CG-CG1 3.83Å; K258-I260 VanDerWaalsContact NZ-CD1 3.29Å; K258-E278 IonicContact NZ-OE1 3.91Å; K258-E278 PolarHBondContact NZ-OE1 3.3Å; K258-E278 IonicContact NZ-OE2 2.74Å; K258-E278 PolarHBondContact NZ-OE2 3.44Å; K258-K281 HydrophobicContact CG-CG 4.4Å; K258-L282 CarbonylContact C-O 3.55Å; K258-L282 WeakPolarHBondContact CA-O 3.4Å; K258-R354 HydrophobicContact CB-CB 4.36Å; K258-R354 PolarHBondContact N-O 2.87Å; K258-R354 PolarHBondContact O-N 2.68Å |
| 259 | I | 96.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.8 | 174.9 | -57.7 | 174.4 | 0 | 0 | 0 | 108 | V242 V244 I257 K281 L282 Y300 L302 V351 R352 V353 | V242-I259 HydrophobicContact CB-CD1 4.46Å; V242-I259 HydrophobicContact CG1-CD1 4.47Å; V242-I259 HydrophobicContact CG2-CG2 4.22Å; V244-I259 HydrophobicContact CG2-CD1 4.21Å; I257-I259 HydrophobicContact CD1-CD1 4.35Å; I257-I259 HydrophobicContact CD1-CG1 4.31Å; I257-I259 HydrophobicContact CG1-CG1 4.19Å; I259-K281 WeakPolarHBondContact O-CA 3.37Å; I259-L282 PolarHBondContact N-O 3.11Å; I259-L282 PolarHBondContact O-N 2.92Å; I259-Y300 HydrophobicContact CD1-CD1 4.08Å; I259-Y300 HydrophobicContact CD1-CD2 3.22Å; I259-Y300 HydrophobicContact CD1-CE2 3.93Å; I259-Y300 HydrophobicContact CD1-CG 3.28Å; I259-L302 HydrophobicContact CB-CD1 4.13Å; I259-L302 HydrophobicContact CB-CD2 4.39Å; I259-L302 HydrophobicContact CG2-CD1 3.5Å; I259-L302 VanDerWaalsContact CG2-CD1 3.5Å; I259-L302 HydrophobicContact CG2-CD2 4.06Å; I259-L302 HydrophobicContact CG2-CG 4.47Å; I259-V351 HydrophobicContact CG2-CG1 3.74Å; I259-R352 WeakPolarHBondContact CA-O 3.43Å; I259-V353 HydrophobicContact CG1-CG2 4.48Å |
| 260 | I | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.5 | -171.6 | -45.7 | 171.4 | 0 | 0 | 0 | 108.2 | K258 V262 E278 A280 V351 R352 | K258-I260 HydrophobicContact CD-CD1 3.7Å; K258-I260 HydrophobicContact CD-CG1 3.99Å; K258-I260 HydrophobicContact CG-CD1 4.08Å; K258-I260 HydrophobicContact CG-CG1 3.83Å; K258-I260 VanDerWaalsContact NZ-CD1 3.29Å; I260-V262 HydrophobicContact CB-CG2 4.42Å; I260-V262 HydrophobicContact CG2-CG2 3.88Å; I260-E278 HydrophobicContact CG2-CB 3.7Å; I260-E278 HydrophobicContact CG2-CG 3.55Å; I260-A280 CarbonylContact C-O 3.58Å; I260-A280 WeakPolarHBondContact CA-O 3.36Å; I260-V351 CarbonylContact O-C 3.57Å; I260-R352 HydrophobicContact CB-CB 4.35Å; I260-R352 PolarHBondContact N-O 3.06Å; I260-R352 PolarHBondContact O-N 2.95Å |
| 261 | V | 96.8 | Very high | 89 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 123.6 | 165.8 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | I240 E278 V279 A280 L302 P304 Y349 V351 F371 | I240-V261 HydrophobicContact CD1-CG1 4.48Å; I240-V261 HydrophobicContact CD1-CG2 4.24Å; V261-E278 CarbonylContact O-C 3.58Å; V261-E278 WeakPolarHBondContact O-CA 3.46Å; V261-V279 HydrophobicContact CB-CG2 3.79Å; V261-V279 HydrophobicContact CG1-CG2 3.43Å; V261-V279 VanDerWaalsContact CG1-CG2 3.43Å; V261-V279 WeakPolarHBondContact O-CG2 3.44Å; V261-V279 PolarHBondContact O-N 3.21Å; V261-A280 HydrophobicContact CB-CB 3.97Å; V261-A280 HydrophobicContact CG2-CB 3.91Å; V261-A280 PolarHBondContact N-O 2.92Å; V261-A280 PolarHBondContact O-N 2.86Å; V261-L302 HydrophobicContact CG2-CB 4.12Å; V261-L302 HydrophobicContact CG2-CD2 4.17Å; V261-P304 HydrophobicContact CG1-CB 4.25Å; V261-Y349 HydrophobicContact CG1-CD1 4.48Å; V261-V351 HydrophobicContact CG2-CG2 4.45Å; V261-F371 HydrophobicContact CG1-CE1 3.8Å; V261-F371 HydrophobicContact CG1-CZ 3.53Å |
| 262 | V | 96 | Very high | 88.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.6 | -176.9 | 175.7 | 0 | 0 | 0 | 0 | 109 | I260 Q276 C277 Y349 R350 R352 | I260-V262 HydrophobicContact CB-CG2 4.42Å; I260-V262 HydrophobicContact CG2-CG2 3.88Å; V262-Q276 HydrophobicContact CG1-CG 3.3Å; V262-C277 CarbonylContact C-O 3.59Å; V262-C277 WeakPolarHBondContact CA-O 3.26Å; V262-Y349 WeakPolarHBondContact O-CA 3.47Å; V262-R350 PolarHBondContact N-O 3.08Å; V262-R350 PolarHBondContact O-N 2.81Å; V262-R352 HydrophobicContact CG2-CB 4.39Å |
| 263 | Q | 96.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126 | 164.2 | -174.4 | -168.5 | 62.8 | 0 | 0 | 108.7 | Q276 C277 V279 A316 V347 Y349 | Q263-Q276 WeakPolarHBondContact O-CA 3.3Å; Q263-C277 PolarHBondContact N-O 2.88Å; Q263-C277 PolarHBondContact O-N 2.78Å; Q263-V279 HydrophobicContact CB-CG1 3.71Å; Q263-A316 PolarHBondContact NE2-O 2.78Å; Q263-V347 HydrophobicContact CG-CG1 3.87Å; Q263-Y349 HydrophobicContact CB-CD1 4.15Å; Q263-Y349 HydrophobicContact CB-CE1 3.74Å; Q263-Y349 HydrophobicContact CG-CD1 4.43Å; Q263-Y349 HydrophobicContact CG-CE1 3.83Å; Q263-Y349 HydrophobicContact CG-CE2 4.28Å; Q263-Y349 PolarHBondContact NE2-OH 2.96Å |
| 264 | R | 94.2 | Very high | 88.4 | Confident | 95 Ų | 95 | 41.4 Ų | 41.4 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.5 | 172.8 | -174.2 | -175.1 | -174.8 | -155.8 | 4.9 | 108.6 | Y275 V347 E348 | R264-Y275 CarbonylContact C-O 3.59Å; R264-Y275 WeakPolarHBondContact CA-O 3.34Å; R264-V347 WeakPolarHBondContact O-CA 3.24Å; R264-E348 HydrophobicContact CB-CB 4.41Å; R264-E348 PolarHBondContact N-O 2.94Å; R264-E348 IonicContact NH1-OE2 3.73Å; R264-E348 PolarHBondContact NH1-OE2 2.8Å; R264-E348 PolarHBondContact O-N 2.84Å |
| 265 | A | 92.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L154 T274 Y275 A316 I345 I346 | L154-A265 HydrophobicContact CD2-CB 3.69Å; A265-T274 CarbonylContact O-C 3.6Å; A265-T274 WeakPolarHBondContact O-CA 3.45Å; A265-Y275 PolarHBondContact N-O 2.69Å; A265-Y275 PolarHBondContact O-N 3.27Å; A265-A316 HydrophobicContact CB-CB 3.89Å; A265-I345 HydrophobicContact CB-CG2 4.22Å; A265-I346 CarbonylContact C-O 3.48Å; A265-I346 WeakPolarHBondContact CA-O 3.43Å |
| 266 | A | 89.1 | Confident | 88.2 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | T274 I345 I346 | A266-T274 HydrophobicContact CB-CG2 4.02Å; A266-I345 WeakPolarHBondContact O-CA 3.31Å; A266-I346 PolarHBondContact N-O 3.4Å; A266-I346 PolarHBondContact O-N 3.3Å |
| 267 | I | 87.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.4 | 169.4 | -55.7 | -179.6 | 0 | 0 | 0 | 107.3 | F85 L154 L269 S271 T272 A273 Y275 | F85-I267 HydrophobicContact CE2-CG2 4.29Å; F85-I267 HydrophobicContact CZ-CG2 3.73Å; L154-I267 HydrophobicContact CD1-CD1 3.65Å; L154-I267 HydrophobicContact CD1-CG1 3.75Å; I267-L269 HydrophobicContact CG2-CB 4.35Å; I267-S271 VanDerWaalsContact CG2-O 3.3Å; I267-S271 WeakPolarHBondContact CG2-O 3.44Å; I267-T272 WeakPolarHBondContact O-CA 3.49Å; I267-A273 HydrophobicContact CD1-CB 4.39Å; I267-A273 PolarHBondContact N-O 3.16Å; I267-Y275 HydrophobicContact CD1-CE2 3.83Å; I267-Y275 HydrophobicContact CG1-CE2 4.4Å |
| 268 | C | 82.4 | Confident | 88.2 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -109.8 | 21.3 | -174.8 | -65.7 | 0 | 0 | 0 | 0 | 113.5 | R340 E341 G344 I346 | C268-R340 HydrophobicContact CB-CB 4.16Å; C268-R340 VanDerWaalsContact CB-O 3.26Å; C268-R340 WeakPolarHBondContact CB-O 3.25Å; C268-E341 VanDerWaalsContact O-CA 3.24Å; C268-E341 WeakPolarHBondContact O-CA 3.49Å; C268-E341 WeakPolarHBondContact O-CB 3.38Å; C268-G344 PolarHBondContact N-O 3.38Å; C268-I346 WeakPolarHBondContact SG-CD1 3.4Å | ||
| 269 | L | 79 | Confident | 88.2 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -100.9 | -154.2 | 178.9 | -76 | 168.5 | 0 | 0 | 0 | 111.2 | F85 K101 I267 S271 E341 | F85-L269 HydrophobicContact CB-CD1 3.57Å; F85-L269 HydrophobicContact CD1-CD1 3.17Å; F85-L269 HydrophobicContact CD2-CD1 3.37Å; F85-L269 HydrophobicContact CE1-CD1 3.53Å; F85-L269 HydrophobicContact CE2-CD1 3.73Å; F85-L269 HydrophobicContact CG-CD1 3.06Å; F85-L269 HydrophobicContact CZ-CD1 3.79Å; K101-L269 HydrophobicContact CD-CD2 3.41Å; K101-L269 VanDerWaalsContact CD-CD2 3.41Å; I267-L269 HydrophobicContact CG2-CB 4.35Å; L269-S271 PolarHBondContact O-N 3.48Å; L269-S271 VanDerWaalsContact O-N 3.1Å; L269-E341 WeakPolarHBondContact CD2-O 3.24Å |
| 270 | F | 69.1 | Low | 88.1 | Confident | 163 Ų | 163 | 42.5 Ų | 42.5 | 72% | 0.715 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -54.1 | -30.7 | -176.3 | -71.5 | -88 | 0 | 0 | 0 | 114.4 | F99 K101 | F99-F270 AromaticContact CE1-CD2 3.69Å; F99-F270 HydrophobicContact CE1-CD2 3.69Å; F99-F270 HydrophobicContact CE1-CE2 4.19Å; F99-F270 AromaticContact CE2-CD2 3.61Å; F99-F270 HydrophobicContact CE2-CD2 3.61Å; F99-F270 AromaticContact CE2-CE2 3.78Å; F99-F270 HydrophobicContact CE2-CE2 3.78Å; F99-F270 HydrophobicContact CE2-CG 4.24Å; F99-F270 AromaticContact CZ-CD2 3.07Å; F99-F270 HydrophobicContact CZ-CD2 3.07Å; F99-F270 AromaticContact CZ-CE2 3.24Å; F99-F270 HydrophobicContact CZ-CE2 3.24Å; F99-F270 HydrophobicContact CZ-CG 4.08Å; F99-F270 HydrophobicContact CZ-CZ 4.32Å; K101-F270 HydrophobicContact CD-CE2 4.22Å |
| 271 | S | 68.2 | Low | 88 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -111.4 | 112.5 | 170.1 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | I267 L269 A273 | I267-S271 VanDerWaalsContact CG2-O 3.3Å; I267-S271 WeakPolarHBondContact CG2-O 3.44Å; L269-S271 PolarHBondContact O-N 3.48Å; L269-S271 VanDerWaalsContact O-N 3.1Å; S271-A273 PolarHBondContact O-N 2.97Å |
| 272 | T | 77.4 | Confident | 87.9 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 76% | 0.761 | 26% | 0.264 | S | S | * | . | trans | -83.7 | 94.3 | 173.1 | 55 | 0 | 0 | 0 | 0 | 109.2 | I267 | I267-T272 WeakPolarHBondContact O-CA 3.49Š| ||
| 273 | A | 82.7 | Confident | 87.9 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | trans | -114.4 | 140.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I267 S271 Y275 | I267-A273 HydrophobicContact CD1-CB 4.39Å; I267-A273 PolarHBondContact N-O 3.16Å; S271-A273 PolarHBondContact O-N 2.97Å; A273-Y275 HydrophobicContact CB-CE2 3.93Å | ||
| 274 | T | 87.4 | Confident | 87.7 | Confident | 93 Ų | 93 | 55 Ų | 55 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.5 | 174.6 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | A265 A266 | A265-T274 CarbonylContact O-C 3.6Å; A265-T274 WeakPolarHBondContact O-CA 3.45Å; A266-T274 HydrophobicContact CB-CG2 4.02Å |
| 275 | Y | 87.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 26% | 0.263 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141 | 173.4 | -63.5 | -90 | 0 | 0 | 0 | 109.5 | L154 R264 A265 I267 A273 | L154-Y275 HydrophobicContact CD1-CD2 4.13Å; L154-Y275 HydrophobicContact CD1-CE2 4.17Å; R264-Y275 CarbonylContact C-O 3.59Å; R264-Y275 WeakPolarHBondContact CA-O 3.34Å; A265-Y275 PolarHBondContact N-O 2.69Å; A265-Y275 PolarHBondContact O-N 3.27Å; I267-Y275 HydrophobicContact CD1-CE2 3.83Å; I267-Y275 HydrophobicContact CG1-CE2 4.4Å; A273-Y275 HydrophobicContact CB-CE2 3.93Å |
| 276 | Q | 91.4 | Very high | 87.2 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119 | 177.2 | -174.1 | 174.3 | -26.3 | 0 | 0 | 109.4 | V262 Q263 | V262-Q276 HydrophobicContact CG1-CG 3.3Å; Q263-Q276 WeakPolarHBondContact O-CA 3.3Å |
| 277 | C | 92.7 | Very high | 86.8 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.6 | -178.7 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | V262 Q263 V279 R313 G314 L315 | V262-C277 CarbonylContact C-O 3.59Å; V262-C277 WeakPolarHBondContact CA-O 3.26Å; Q263-C277 PolarHBondContact N-O 2.88Å; Q263-C277 PolarHBondContact O-N 2.78Å; C277-V279 PolarHBondContact O-N 3.31Å; C277-R313 PolarHBondContact SG-O 2.85Å; C277-G314 PolarHBondContact SG-O 3.05Å; C277-L315 HydrophobicContact CB-CD1 3.86Å |
| 278 | E | 94 | Very high | 86.7 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116.1 | 168.2 | -55.1 | -168.6 | 166.8 | 0 | 0 | 107.7 | K258 I260 V261 N309 K312 | K258-E278 IonicContact NZ-OE1 3.91Å; K258-E278 PolarHBondContact NZ-OE1 3.3Å; K258-E278 IonicContact NZ-OE2 2.74Å; K258-E278 PolarHBondContact NZ-OE2 3.44Å; I260-E278 HydrophobicContact CG2-CB 3.7Å; I260-E278 HydrophobicContact CG2-CG 3.55Å; V261-E278 CarbonylContact O-C 3.58Å; V261-E278 WeakPolarHBondContact O-CA 3.46Å; E278-N309 PolarHBondContact O-OD1 2.72Å; E278-K312 VanDerWaalsContact O-CD 3.29Å; E278-K312 WeakPolarHBondContact O-CD 3.35Å; E278-K312 WeakPolarHBondContact O-CE 3.2Å; E278-K312 PolarHBondContact O-NZ 3.16Å |
| 279 | V | 94.2 | Very high | 87 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -17.4 | -179 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | V261 Q263 C277 P304 N309 L315 L328 Y349 | V261-V279 HydrophobicContact CB-CG2 3.79Å; V261-V279 HydrophobicContact CG1-CG2 3.43Å; V261-V279 VanDerWaalsContact CG1-CG2 3.43Å; V261-V279 WeakPolarHBondContact O-CG2 3.44Å; V261-V279 PolarHBondContact O-N 3.21Å; Q263-V279 HydrophobicContact CB-CG1 3.71Å; C277-V279 PolarHBondContact O-N 3.31Å; V279-P304 HydrophobicContact CB-CB 4.47Å; V279-P304 HydrophobicContact CG2-CB 3.84Å; V279-N309 PolarHBondContact O-ND2 3.22Å; V279-N309 PolarHBondContact O-OD1 2.74Å; V279-L315 HydrophobicContact CG1-CD1 3.51Å; V279-L328 HydrophobicContact CB-CD1 4.25Å; V279-L328 HydrophobicContact CG1-CD1 4.36Å; V279-L328 HydrophobicContact CG1-CD2 4.32Å; V279-Y349 HydrophobicContact CG2-CE1 4.29Å |
| 280 | A | 95.2 | Very high | 87.5 | Confident | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 146.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | I260 V261 L302 | I260-A280 CarbonylContact C-O 3.58Å; I260-A280 WeakPolarHBondContact CA-O 3.36Å; V261-A280 HydrophobicContact CB-CB 3.97Å; V261-A280 HydrophobicContact CG2-CB 3.91Å; V261-A280 PolarHBondContact N-O 2.92Å; V261-A280 PolarHBondContact O-N 2.86Å; A280-L302 HydrophobicContact CB-CB 4.35Å; A280-L302 HydrophobicContact CB-CD2 4.21Å |
| 281 | K | 94.9 | Very high | 88.4 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.8 | 178.2 | 175.5 | -170.9 | 159.1 | 174.7 | 0 | 108.5 | K258 I259 E283 | K258-K281 HydrophobicContact CG-CG 4.4Å; I259-K281 WeakPolarHBondContact O-CA 3.37Å; K281-E283 VanDerWaalsContact CE-OE2 3.26Å; K281-E283 WeakPolarHBondContact CE-OE2 3.17Å; K281-E283 IonicContact NZ-OE2 2.54Å; K281-E283 PolarHBondContact NZ-OE2 3.5Å |
| 282 | L | 95.4 | Very high | 89.3 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.8 | 169.3 | -172.6 | 76.3 | 0 | 0 | 0 | 108.5 | K258 I259 Y300 L302 | K258-L282 CarbonylContact C-O 3.55Å; K258-L282 WeakPolarHBondContact CA-O 3.4Å; I259-L282 PolarHBondContact N-O 3.11Å; I259-L282 PolarHBondContact O-N 2.92Å; L282-Y300 HydrophobicContact CD2-CD1 3.55Å; L282-Y300 HydrophobicContact CD2-CG 4.09Å; L282-L302 HydrophobicContact CB-CD1 4.43Å; L282-L302 HydrophobicContact CB-CD2 3.71Å; L282-L302 HydrophobicContact CB-CG 4Å; L282-L302 HydrophobicContact CD2-CD1 4.44Å |
| 283 | E | 94.5 | Very high | 89.8 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.9 | 176.6 | -171.3 | 167.1 | 171.4 | 0 | 0 | 107.7 | K256 K281 | K256-E283 HydrophobicContact CD-CG 4.48Å; K256-E283 VanDerWaalsContact CD-OE1 3.25Å; K256-E283 WeakPolarHBondContact CD-OE1 3.23Å; K256-E283 WeakPolarHBondContact CE-OE1 3.45Å; K256-E283 IonicContact NZ-OE1 3.01Å; K256-E283 PolarHBondContact NZ-OE1 2.9Å; K281-E283 VanDerWaalsContact CE-OE2 3.26Å; K281-E283 WeakPolarHBondContact CE-OE2 3.17Å; K281-E283 IonicContact NZ-OE2 2.54Å; K281-E283 PolarHBondContact NZ-OE2 3.5Å |
| 284 | S | 92.7 | Very high | 90.2 | Very high | 15 Ų | 15 | 59 Ų | 59 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.7 | -175.8 | -169 | 0 | 0 | 0 | 0 | 111 | I257 E286 | I257-S284 WeakPolarHBondContact CG2-O 3.29Å; I257-S284 PolarHBondContact N-O 2.96Å; I257-S284 PolarHBondContact O-N 2.81Å; S284-E286 PolarHBondContact OG-N 3.31Å |
| 285 | S | 90.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | trans | -107 | 2.3 | 170.7 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | G287 F288 | S285-G287 PolarHBondContact O-N 2.84Å; S285-F288 PolarHBondContact O-N 3.34Å; S285-F288 VanDerWaalsContact O-N 3.13Å | ||
| 286 | E | 85.4 | Confident | 90.9 | Very high | 127 Ų | 127 | 56.5 Ų | 56.5 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 125.4 | 179.9 | -69.3 | 177.6 | -152.1 | 0 | 0 | 110.4 | S284 F288 K298 | S284-E286 PolarHBondContact OG-N 3.31Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 WeakPolarHBondContact O-CD2 3.39Å; E286-K298 IonicContact OE2-NZ 3.2Å; E286-K298 PolarHBondContact OE2-NZ 2.96Å |
| 287 | G | 80.3 | Confident | 91 | Very high | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 1.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S285 L290 | S285-G287 PolarHBondContact O-N 2.84Å; G287-L290 VanDerWaalsContact O-CD2 3.3Å; G287-L290 WeakPolarHBondContact O-CD2 3.37Å; G287-L290 WeakPolarHBondContact O-CG 3.39Å |
| 288 | F | 87.2 | Confident | 91.1 | Very high | 27 Ų | 27 | 59 Ų | 59 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | trans | -112 | 152.5 | 177.9 | -63.2 | -81.3 | 0 | 0 | 0 | 111.9 | I246 V254 K255 I257 S285 E286 L290 L296 | I246-F288 HydrophobicContact CD1-CE1 4.15Å; I246-F288 HydrophobicContact CD1-CZ 3.79Å; V254-F288 HydrophobicContact CB-CD1 3.95Å; V254-F288 HydrophobicContact CB-CE1 3.79Å; V254-F288 HydrophobicContact CG1-CD1 3.85Å; V254-F288 HydrophobicContact CG1-CE1 3.39Å; V254-F288 HydrophobicContact CG1-CZ 4.41Å; V254-F288 WeakPolarHBondContact O-CD1 3.26Å; K255-F288 WeakPolarHBondContact O-CB 3.38Å; I257-F288 HydrophobicContact CB-CE2 3.86Å; I257-F288 HydrophobicContact CB-CZ 3.78Å; I257-F288 HydrophobicContact CG2-CD2 4.37Å; I257-F288 HydrophobicContact CG2-CE2 3.39Å; I257-F288 HydrophobicContact CG2-CZ 3.83Å; S285-F288 PolarHBondContact O-N 3.34Å; S285-F288 VanDerWaalsContact O-N 3.13Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 WeakPolarHBondContact O-CD2 3.39Å; F288-L290 HydrophobicContact CD1-CB 4.31Å; F288-L290 HydrophobicContact CD1-CD1 3.97Å; F288-L290 HydrophobicContact CD1-CG 3.84Å; F288-L290 HydrophobicContact CE1-CD1 3.47Å; F288-L290 VanDerWaalsContact CE1-CD1 3.47Å; F288-L290 HydrophobicContact CE1-CG 3.9Å; F288-L290 HydrophobicContact CZ-CD1 4.12Å; F288-L296 HydrophobicContact CD2-CD2 4.47Å; F288-L296 HydrophobicContact CE1-CD2 4.37Å; F288-L296 HydrophobicContact CE2-CD2 3.63Å; F288-L296 HydrophobicContact CZ-CD2 3.58Å | ||
| 289 | P | 88.1 | Confident | 91.2 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | S | Bend | cis | -75.3 | 134.2 | 3.2 | 30.8 | -34.2 | 0 | 0 | 0 | 112.9 | V254 G291 | V254-P289 CarbonylContact O-C 3.53Å; V254-P289 WeakPolarHBondContact O-CA 3.47Å; P289-G291 PolarHBondContact O-N 2.78Å |
| 290 | L | 89.5 | Confident | 91.3 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 110.5 | 171.7 | -72.9 | 169 | 0 | 0 | 0 | 108.6 | I246 N248 T253 V254 G287 F288 L296 | I246-L290 HydrophobicContact CB-CD1 4.12Å; I246-L290 HydrophobicContact CD1-CD1 4.14Å; I246-L290 HydrophobicContact CG2-CD1 3.92Å; N248-L290 PolarHBondContact ND2-O 3.35Å; N248-L290 VanDerWaalsContact ND2-O 3.15Å; T253-L290 VanDerWaalsContact CA-O 3.3Å; T253-L290 WeakPolarHBondContact CA-O 3.32Å; V254-L290 HydrophobicContact CB-CB 4.16Å; V254-L290 HydrophobicContact CG2-CB 4.38Å; V254-L290 PolarHBondContact N-O 3.15Å; V254-L290 VanDerWaalsContact N-O 3.13Å; V254-L290 PolarHBondContact O-N 2.85Å; G287-L290 VanDerWaalsContact O-CD2 3.3Å; G287-L290 WeakPolarHBondContact O-CD2 3.37Å; G287-L290 WeakPolarHBondContact O-CG 3.39Å; F288-L290 HydrophobicContact CD1-CB 4.31Å; F288-L290 HydrophobicContact CD1-CD1 3.97Å; F288-L290 HydrophobicContact CD1-CG 3.84Å; F288-L290 HydrophobicContact CE1-CD1 3.47Å; F288-L290 VanDerWaalsContact CE1-CD1 3.47Å; F288-L290 HydrophobicContact CE1-CG 3.9Å; F288-L290 HydrophobicContact CZ-CD1 4.12Å; L290-L296 HydrophobicContact CD1-CB 3.64Å; L290-L296 HydrophobicContact CD1-CD2 4.14Å; L290-L296 HydrophobicContact CD2-CB 4.01Å; L290-L296 HydrophobicContact CG-CB 4.4Å |
| 291 | G | 87.4 | Confident | 91.3 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | trans | -71.2 | -176.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N248 P289 G294 | N248-G291 PolarHBondContact ND2-O 3.06Å; P289-G291 PolarHBondContact O-N 2.78Å; G291-G294 PolarHBondContact O-N 2.96Å | ||
| 292 | I | 87.4 | Confident | 91.3 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 133.1 | 174.9 | -52.3 | 179 | 0 | 0 | 0 | 109 | S250 G294 | S250-I292 WeakPolarHBondContact O-CG1 3.35Å; S250-I292 WeakPolarHBondContact O-CG2 3.22Å; I292-G294 PolarHBondContact O-N 3.49Å |
| 293 | G | 88.3 | Confident | 91.3 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N248 | N248-G293 WeakPolarHBondContact O-CA 3.5Å; N248-G293 PolarHBondContact O-N 3.08Å |
| 294 | G | 90.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 142.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N248 G291 I292 | N248-G294 PolarHBondContact N-O 3.25Å; G291-G294 PolarHBondContact O-N 2.96Å; I292-G294 PolarHBondContact O-N 3.49Å |
| 295 | T | 94.2 | Very high | 91.2 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.5 | 171.7 | 55 | 0 | 0 | 0 | 0 | 110.8 | I246 Q247 | I246-T295 CarbonylContact O-C 3.49Å; I246-T295 WeakPolarHBondContact O-CA 3.38Å; Q247-T295 HydrophobicContact CB-CG2 4.11Å; Q247-T295 HydrophobicContact CG-CG2 3.93Å |
| 296 | L | 94.3 | Very high | 91.2 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.4 | 173.2 | -179.4 | 67.4 | 0 | 0 | 0 | 109.6 | Y245 I246 F288 L290 | Y245-L296 CarbonylContact C-O 3.43Å; Y245-L296 WeakPolarHBondContact CA-O 3.2Å; I246-L296 HydrophobicContact CB-CB 4.4Å; I246-L296 HydrophobicContact CD1-CD2 4.28Å; I246-L296 PolarHBondContact N-O 3.38Å; I246-L296 PolarHBondContact O-N 2.68Å; F288-L296 HydrophobicContact CD2-CD2 4.47Å; F288-L296 HydrophobicContact CE1-CD2 4.37Å; F288-L296 HydrophobicContact CE2-CD2 3.63Å; F288-L296 HydrophobicContact CZ-CD2 3.58Å; L290-L296 HydrophobicContact CD1-CB 3.64Å; L290-L296 HydrophobicContact CD1-CD2 4.14Å; L290-L296 HydrophobicContact CD2-CB 4.01Å; L290-L296 HydrophobicContact CG-CB 4.4Å |
| 297 | T | 95.3 | Very high | 91.4 | Very high | 110 Ų | 110 | 48.3 Ų | 48.3 | 68% | 0.675 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.5 | 167.9 | -48.3 | 0 | 0 | 0 | 0 | 107.8 | V244 Y245 | V244-T297 WeakPolarHBondContact O-CA 3.37Å; Y245-T297 VanDerWaalsContact CD2-OG1 3.31Å; Y245-T297 WeakPolarHBondContact CD2-OG1 3.46Å |
| 298 | K | 94.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.9 | 179.1 | -170.6 | 162.5 | 179.3 | -178.4 | 0 | 112.1 | V244 E286 Y300 | V244-K298 PolarHBondContact N-O 2.96Å; V244-K298 PolarHBondContact O-N 2.83Å; E286-K298 IonicContact OE2-NZ 3.2Å; E286-K298 PolarHBondContact OE2-NZ 2.96Å; K298-Y300 HydrophobicContact CB-CE2 3.89Å; K298-Y300 HydrophobicContact CD-CE1 3.91Å; K298-Y300 HydrophobicContact CD-CE2 4.41Å; K298-Y300 HydrophobicContact CG-CD2 4.5Å; K298-Y300 HydrophobicContact CG-CE1 4.21Å; K298-Y300 HydrophobicContact CG-CE2 4.04Å |
| 299 | V | 95.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.4 | 173.4 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | F241 V242 N243 | F241-V299 HydrophobicContact CB-CG1 4.11Å; F241-V299 HydrophobicContact CD1-CG1 4.31Å; V242-V299 WeakPolarHBondContact O-CA 3.44Å; N243-V299 WeakPolarHBondContact OD1-CG1 3.26Å; N243-V299 WeakPolarHBondContact OD1-CG2 3.48Å |
| 300 | Y | 95.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.4 | 178.4 | -63.3 | -84.2 | 0 | 0 | 0 | 110.1 | F241 V242 V244 I257 I259 L282 K298 | F241-Y300 WeakPolarHBondContact CA-O 3.37Å; V242-Y300 PolarHBondContact N-O 2.92Å; V242-Y300 PolarHBondContact O-N 3.03Å; V244-Y300 HydrophobicContact CB-CD2 4.45Å; V244-Y300 HydrophobicContact CB-CE2 4.22Å; V244-Y300 HydrophobicContact CG2-CD2 4.03Å; V244-Y300 HydrophobicContact CG2-CE2 4.21Å; I257-Y300 HydrophobicContact CD1-CE2 3.97Å; I257-Y300 HydrophobicContact CG2-CE1 4.36Å; I257-Y300 WeakPolarHBondContact CG2-OH 3.29Å; I259-Y300 HydrophobicContact CD1-CD1 4.08Å; I259-Y300 HydrophobicContact CD1-CD2 3.22Å; I259-Y300 HydrophobicContact CD1-CE2 3.93Å; I259-Y300 HydrophobicContact CD1-CG 3.28Å; L282-Y300 HydrophobicContact CD2-CD1 3.55Å; L282-Y300 HydrophobicContact CD2-CG 4.09Å; K298-Y300 HydrophobicContact CB-CE2 3.89Å; K298-Y300 HydrophobicContact CD-CE1 3.91Å; K298-Y300 HydrophobicContact CD-CE2 4.41Å; K298-Y300 HydrophobicContact CG-CD2 4.5Å; K298-Y300 HydrophobicContact CG-CE1 4.21Å; K298-Y300 HydrophobicContact CG-CE2 4.04Å |
| 301 | S | 95.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | 179.6 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | I240 F241 | I240-S301 WeakPolarHBondContact O-CA 3.36Å; F241-S301 WeakPolarHBondContact CE1-OG 3.37Å |
| 302 | L | 95.3 | Very high | 91 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.9 | 176.2 | -63.4 | 96 | 0 | 0 | 0 | 110.3 | I240 V242 I259 V261 A280 L282 | I240-L302 WeakPolarHBondContact CB-O 3.47Å; I240-L302 PolarHBondContact N-O 2.8Å; I240-L302 PolarHBondContact O-N 3.3Å; V242-L302 HydrophobicContact CG2-CD1 4.04Å; I259-L302 HydrophobicContact CB-CD1 4.13Å; I259-L302 HydrophobicContact CB-CD2 4.39Å; I259-L302 HydrophobicContact CG2-CD1 3.5Å; I259-L302 VanDerWaalsContact CG2-CD1 3.5Å; I259-L302 HydrophobicContact CG2-CD2 4.06Å; I259-L302 HydrophobicContact CG2-CG 4.47Å; V261-L302 HydrophobicContact CG2-CB 4.12Å; V261-L302 HydrophobicContact CG2-CD2 4.17Å; A280-L302 HydrophobicContact CB-CB 4.35Å; A280-L302 HydrophobicContact CB-CD2 4.21Å; L282-L302 HydrophobicContact CB-CD1 4.43Å; L282-L302 HydrophobicContact CB-CD2 3.71Å; L282-L302 HydrophobicContact CB-CG 4Å; L282-L302 HydrophobicContact CD2-CD1 4.44Å |
| 303 | C | 94.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 25% | 0.25 | 32% | 0.321 | C | S | . | . | trans | -121.5 | 105.9 | 177.6 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | G237 L305 | G237-C303 PolarHBondContact O-SG 3.33Å; C303-L305 PolarHBondContact O-N 3.28Å; C303-L305 VanDerWaalsContact O-N 3.14Å | ||
| 304 | P | 92.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -76.5 | 99.2 | 179.5 | 31.1 | -33.4 | 0 | 0 | 0 | 110.7 | I240 V261 V279 L328 L373 | I240-P304 HydrophobicContact CD1-CG 3.87Å; V261-P304 HydrophobicContact CG1-CB 4.25Å; V279-P304 HydrophobicContact CB-CB 4.47Å; V279-P304 HydrophobicContact CG2-CB 3.84Å; P304-L328 HydrophobicContact CB-CD1 4.16Å; P304-L373 HydrophobicContact CG-CD1 4.5Å | ||
| 305 | L | 92.2 | Very high | 90.2 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -112.1 | 137.3 | -179.5 | -67.3 | 174.6 | 0 | 0 | 0 | 111.7 | C303 A307 N308 N309 | C303-L305 PolarHBondContact O-N 3.28Å; C303-L305 VanDerWaalsContact O-N 3.14Å; L305-A307 PolarHBondContact O-N 2.76Å; L305-N308 PolarHBondContact O-N 2.94Å; L305-N309 PolarHBondContact O-ND2 2.62Å | ||
| 306 | L | 90.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.9 | -35.7 | 172.9 | 177.7 | 58.7 | 0 | 0 | 0 | 111.9 | N308 N309 R310 L315 L317 L321 T326 L328 | L306-N308 PolarHBondContact O-N 3.42Å; L306-N308 VanDerWaalsContact O-N 3.11Å; L306-N309 CarbonylContact O-C 3.51Å; L306-N309 PolarHBondContact O-N 3.42Å; L306-R310 HydrophobicContact CD1-CG 4.49Å; L306-R310 HydrophobicContact CG-CG 4.35Å; L306-R310 WeakPolarHBondContact O-CG 3.42Å; L306-R310 PolarHBondContact O-N 3.42Å; L306-L315 HydrophobicContact CD1-CD2 3.76Å; L306-L317 HydrophobicContact CD1-CD2 3.4Å; L306-L317 HydrophobicContact CD2-CD2 4.05Å; L306-L317 HydrophobicContact CG-CD2 4.35Å; L306-L321 HydrophobicContact CD1-CD1 4.43Å; L306-T326 HydrophobicContact CD2-CG2 3.94Å; L306-T326 VanDerWaalsContact CD2-O 3.24Å; L306-T326 WeakPolarHBondContact CD2-O 3.35Å; L306-L328 HydrophobicContact CB-CD2 4.34Å; L306-L328 HydrophobicContact CB-CG 4.26Å; L306-L328 HydrophobicContact CD1-CD2 4.09Å |
| 307 | A | 88.6 | Confident | 90.1 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 56% | 0.562 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -52.3 | -36.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L305 N309 | L305-A307 PolarHBondContact O-N 2.76Å; A307-N309 VanDerWaalsContact C-N 3.33Å; A307-N309 PolarHBondContact O-N 3.39Å |
| 308 | N | 88.7 | Confident | 90 | Very high | 113 Ų | 113 | 43 Ų | 43 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -86.3 | -0.4 | -178.7 | -62.6 | -13.8 | 0 | 0 | 0 | 113.9 | L305 L306 | L305-N308 PolarHBondContact O-N 2.94Å; L306-N308 PolarHBondContact O-N 3.42Å; L306-N308 VanDerWaalsContact O-N 3.11Å |
| 309 | N | 87.6 | Confident | 89.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -134.7 | 12.5 | -170.4 | -62.3 | -77.9 | 0 | 0 | 0 | 113.3 | E278 V279 L305 L306 A307 D311 K312 L315 | E278-N309 PolarHBondContact O-OD1 2.72Å; V279-N309 PolarHBondContact O-ND2 3.22Å; V279-N309 PolarHBondContact O-OD1 2.74Å; L305-N309 PolarHBondContact O-ND2 2.62Å; L306-N309 CarbonylContact O-C 3.51Å; L306-N309 PolarHBondContact O-N 3.42Å; A307-N309 VanDerWaalsContact C-N 3.33Å; A307-N309 PolarHBondContact O-N 3.39Å; N309-D311 PolarHBondContact O-N 3.47Å; N309-K312 HydrophobicContact CB-CD 4.05Å; N309-K312 HydrophobicContact CB-CG 4.34Å; N309-K312 WeakPolarHBondContact O-CB 3.43Å; N309-K312 PolarHBondContact O-N 3.14Å; N309-K312 VanDerWaalsContact OD1-CD 3.29Å; N309-K312 WeakPolarHBondContact OD1-CD 3.36Å; N309-K312 VanDerWaalsContact OD1-CE 3.23Å; N309-K312 WeakPolarHBondContact OD1-CE 3.31Å; N309-K312 PolarHBondContact OD1-NZ 3.33Å; N309-L315 HydrophobicContact CB-CD2 4.06Å |
| 310 | R | 83.7 | Confident | 89 | Confident | 102 Ų | 102 | 39.5 Ų | 39.5 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.7 | -177.7 | -68.2 | -173.7 | 167.1 | 171.3 | -4.4 | 113 | Q155 L306 K312 L321 | Q155-R310 PolarHBondContact NE2-O 2.9Å; L306-R310 HydrophobicContact CD1-CG 4.49Å; L306-R310 HydrophobicContact CG-CG 4.35Å; L306-R310 WeakPolarHBondContact O-CG 3.42Å; L306-R310 PolarHBondContact O-N 3.42Å; R310-K312 VanDerWaalsContact C-N 3.34Å; R310-L321 HydrophobicContact CB-CD1 4.21Å; R310-L321 HydrophobicContact CG-CD1 4.07Å |
| 311 | D | 82.5 | Confident | 88.3 | Confident | 111 Ų | 111 | 41.8 Ų | 41.8 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16 | 177.3 | 65 | -54.2 | 0 | 0 | 0 | 113.3 | N309 R313 | N309-D311 PolarHBondContact O-N 3.47Å; D311-R313 PolarHBondContact O-NH1 2.79Å |
| 312 | K | 82.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 44.6 Ų | 44.6 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | trans | -71.8 | 167.4 | -179.3 | -64.4 | -171.5 | 178.5 | 164.2 | 0 | 111.3 | Q155 E278 N309 R310 | Q155-K312 PolarHBondContact NE2-O 3.17Å; Q155-K312 PolarHBondContact OE1-O 3.26Å; E278-K312 VanDerWaalsContact O-CD 3.29Å; E278-K312 WeakPolarHBondContact O-CD 3.35Å; E278-K312 WeakPolarHBondContact O-CE 3.2Å; E278-K312 PolarHBondContact O-NZ 3.16Å; N309-K312 HydrophobicContact CB-CD 4.05Å; N309-K312 HydrophobicContact CB-CG 4.34Å; N309-K312 WeakPolarHBondContact O-CB 3.43Å; N309-K312 PolarHBondContact O-N 3.14Å; N309-K312 VanDerWaalsContact OD1-CD 3.29Å; N309-K312 WeakPolarHBondContact OD1-CD 3.36Å; N309-K312 VanDerWaalsContact OD1-CE 3.23Å; N309-K312 WeakPolarHBondContact OD1-CE 3.31Å; N309-K312 PolarHBondContact OD1-NZ 3.33Å; R310-K312 VanDerWaalsContact C-N 3.34Å | ||
| 313 | R | 78.6 | Confident | 87 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -133.2 | 145.7 | -173.1 | -60.2 | -72.7 | -174.7 | -87.5 | -4.6 | 108.4 | P156 T157 P158 C277 D311 L315 | P156-R313 WeakPolarHBondContact O-CD 3.26Å; T157-R313 HydrophobicContact CG2-CB 4.07Å; P158-R313 HydrophobicContact CG-CG 4.19Å; C277-R313 PolarHBondContact SG-O 2.85Å; D311-R313 PolarHBondContact O-NH1 2.79Å; R313-L315 PolarHBondContact O-N 3.19Å |
| 314 | G | 81.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 72.9 | 9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q155 C277 | Q155-G314 WeakPolarHBondContact O-CA 3.37Å; Q155-G314 PolarHBondContact O-N 3.41Å; C277-G314 PolarHBondContact SG-O 3.05Å |
| 315 | L | 90 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -74.2 | 131.7 | 179.2 | -169.7 | 72.2 | 0 | 0 | 0 | 110.1 | L154 Q155 C277 V279 L306 N309 R313 L317 L328 | L154-L315 WeakPolarHBondContact CA-O 3.22Å; Q155-L315 PolarHBondContact N-O 2.82Å; C277-L315 HydrophobicContact CB-CD1 3.86Å; V279-L315 HydrophobicContact CG1-CD1 3.51Å; L306-L315 HydrophobicContact CD1-CD2 3.76Å; N309-L315 HydrophobicContact CB-CD2 4.06Å; R313-L315 PolarHBondContact O-N 3.19Å; L315-L317 HydrophobicContact CD2-CD2 3.83Å; L315-L317 HydrophobicContact CG-CD2 4.1Å; L315-L328 HydrophobicContact CD1-CD2 3.94Å; L315-L328 HydrophobicContact CD2-CD2 3.69Å; L315-L328 HydrophobicContact CG-CD2 4Å | ||
| 316 | A | 93 | Very high | 86 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V152 L154 Q263 A265 A329 V347 | V152-A316 HydrophobicContact CG1-CB 4.01Å; L154-A316 HydrophobicContact CD2-CB 3.8Å; Q263-A316 PolarHBondContact NE2-O 2.78Å; A265-A316 HydrophobicContact CB-CB 3.89Å; A316-A329 HydrophobicContact CB-CB 3.84Å; A316-A329 WeakPolarHBondContact O-CB 3.49Å; A316-A329 PolarHBondContact O-N 2.81Å; A316-V347 HydrophobicContact CB-CG1 4.44Å; A316-V347 HydrophobicContact CB-CG2 3.79Å |
| 317 | L | 93.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.5 | -177.3 | -55.9 | 178.9 | 0 | 0 | 0 | 109.9 | V152 T153 L306 L315 G319 L321 T326 N327 L328 | V152-L317 CarbonylContact C-O 3.5Å; V152-L317 WeakPolarHBondContact CA-O 3.37Å; T153-L317 PolarHBondContact N-O 3.41Å; T153-L317 PolarHBondContact O-N 3.44Å; L306-L317 HydrophobicContact CD1-CD2 3.4Å; L306-L317 HydrophobicContact CD2-CD2 4.05Å; L306-L317 HydrophobicContact CG-CD2 4.35Å; L315-L317 HydrophobicContact CD2-CD2 3.83Å; L315-L317 HydrophobicContact CG-CD2 4.1Å; L317-G319 WeakPolarHBondContact CB-O 3.32Å; L317-G319 PolarHBondContact O-N 2.74Å; L317-L321 HydrophobicContact CD1-CB 4.09Å; L317-L321 HydrophobicContact CD1-CD1 4.05Å; L317-T326 HydrophobicContact CB-CG2 3.97Å; L317-T326 HydrophobicContact CD1-CG2 4.25Å; L317-N327 WeakPolarHBondContact CA-O 3.17Å; L317-L328 HydrophobicContact CD2-CD2 4.41Å |
| 318 | D | 91.5 | Very high | 86.3 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -77.4 | 1.1 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | R194 L196 T326 N327 | R194-D318 WeakPolarHBondContact CD-O 3.41Å; R194-D318 IonicContact NH1-OD1 3.13Å; R194-D318 PolarHBondContact NH1-OD1 2.81Å; L196-D318 HydrophobicContact CD2-CB 3.73Å; D318-T326 WeakPolarHBondContact OD1-CA 3.44Å; D318-N327 PolarHBondContact N-O 2.75Å; D318-N327 VanDerWaalsContact N-O 3.1Å; D318-N327 PolarHBondContact OD1-N 2.8Å |
| 319 | G | 87 | Confident | 86.6 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -174.1 | -173.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T153 L317 T326 | T153-G319 PolarHBondContact OG1-O 3.11Å; L317-G319 WeakPolarHBondContact CB-O 3.32Å; L317-G319 PolarHBondContact O-N 2.74Å; G319-T326 WeakPolarHBondContact O-CG2 3.32Å |
| 320 | K | 83.1 | Confident | 86.9 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | trans | -84.7 | 130.6 | -175.5 | -55.8 | -175 | 178.4 | -177.7 | 0 | 109.4 | D168 K322 H323 T326 | D168-K320 IonicContact OD1-NZ 3.66Å; D168-K320 WeakPolarHBondContact OD2-CE 3.47Å; D168-K320 IonicContact OD2-NZ 3.6Å; D168-K320 PolarHBondContact OD2-NZ 2.91Å; K320-K322 HydrophobicContact CB-CG 4.15Å; K320-K322 PolarHBondContact O-N 3.05Å; K320-H323 WeakPolarHBondContact O-CB 3.43Å; K320-H323 PolarHBondContact O-N 2.85Å; K320-T326 PolarHBondContact O-OG1 3.18Å | ||
| 321 | L | 81.5 | Confident | 87.4 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 30% | 0.298 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -31.4 | -179.2 | -170.2 | 64.6 | 0 | 0 | 0 | 115.1 | Q155 L306 R310 L317 H323 | Q155-L321 VanDerWaalsContact NE2-CD2 3.33Å; L306-L321 HydrophobicContact CD1-CD1 4.43Å; R310-L321 HydrophobicContact CB-CD1 4.21Å; R310-L321 HydrophobicContact CG-CD1 4.07Å; L317-L321 HydrophobicContact CD1-CB 4.09Å; L317-L321 HydrophobicContact CD1-CD1 4.05Å; L321-H323 VanDerWaalsContact C-N 3.25Å; L321-H323 PolarHBondContact O-N 2.99Å |
| 322 | K | 81.3 | Confident | 87.8 | Confident | 114 Ų | 114 | 35.6 Ų | 35.6 | 50% | 0.496 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.9 | 177.6 | 69.6 | -175 | 179.6 | -174.9 | 0 | 114.3 | K320 R423 V424 | K320-K322 HydrophobicContact CB-CG 4.15Å; K320-K322 PolarHBondContact O-N 3.05Å; K322-R423 CarbonylContact O-C 3.58Å; K322-R423 WeakPolarHBondContact O-CA 3.44Å; K322-V424 PolarHBondContact O-N 3.47Å |
| 323 | H | 83 | Confident | 88 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 136.1 | -178.5 | -52.4 | 150.8 | 0 | 0 | 0 | 110.4 | K320 L321 D325 T326 R421 L422 | K320-H323 WeakPolarHBondContact O-CB 3.43Å; K320-H323 PolarHBondContact O-N 2.85Å; L321-H323 VanDerWaalsContact C-N 3.25Å; L321-H323 PolarHBondContact O-N 2.99Å; H323-D325 VanDerWaalsContact C-N 3.27Å; H323-D325 VanDerWaalsContact CB-OD1 3.24Å; H323-D325 WeakPolarHBondContact CB-OD1 3.44Å; H323-D325 PolarHBondContact O-N 3.29Å; H323-T326 WeakPolarHBondContact O-CB 3.44Å; H323-T326 PolarHBondContact O-N 2.81Å; H323-T326 PolarHBondContact O-OG1 2.83Å; H323-R421 HydrophobicContact CB-CB 4.26Å; H323-R421 WeakPolarHBondContact ND1-CD 3.2Å; H323-L422 WeakPolarHBondContact CA-O 3.3Å |
| 324 | E | 83.6 | Confident | 88.1 | Confident | 125 Ų | 125 | 31.8 Ų | 31.8 | 58% | 0.584 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -32.3 | -178.4 | -172.9 | 180 | 177.1 | 0 | 0 | 113 | T326 L422 V424 | E324-T326 PolarHBondContact O-N 2.93Å; E324-L422 HydrophobicContact CB-CB 4.45Å; E324-L422 PolarHBondContact N-O 3.22Å; E324-L422 VanDerWaalsContact N-O 3.07Å; E324-V424 HydrophobicContact CB-CG2 4.33Å |
| 325 | D | 85.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 21.6 | -179.1 | 66.5 | -5.5 | 0 | 0 | 0 | 114 | R194 H323 R421 | R194-D325 PolarHBondContact NH1-O 3.15Å; R194-D325 IonicContact NH1-OD1 3.42Å; R194-D325 PolarHBondContact NH2-O 2.88Å; R194-D325 IonicContact NH2-OD1 2.68Å; R194-D325 IonicContact NH2-OD2 3.08Å; R194-D325 PolarHBondContact NH2-OD2 2.71Å; H323-D325 VanDerWaalsContact C-N 3.27Å; H323-D325 VanDerWaalsContact CB-OD1 3.24Å; H323-D325 WeakPolarHBondContact CB-OD1 3.44Å; H323-D325 PolarHBondContact O-N 3.29Å; D325-R421 IonicContact OD1-NH1 2.7Å; D325-R421 PolarHBondContact OD1-NH1 2.88Å; D325-R421 WeakPolarHBondContact OD2-CD 3.31Å; D325-R421 IonicContact OD2-CZ 3.2Å; D325-R421 IonicContact OD2-NE 3.15Å; D325-R421 IonicContact OD2-NH1 3.33Å |
| 326 | T | 88.2 | Confident | 87 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | trans | -96.7 | 135.4 | 179.3 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | L306 L317 D318 G319 K320 H323 E324 | L306-T326 HydrophobicContact CD2-CG2 3.94Å; L306-T326 VanDerWaalsContact CD2-O 3.24Å; L306-T326 WeakPolarHBondContact CD2-O 3.35Å; L317-T326 HydrophobicContact CB-CG2 3.97Å; L317-T326 HydrophobicContact CD1-CG2 4.25Å; D318-T326 WeakPolarHBondContact OD1-CA 3.44Å; G319-T326 WeakPolarHBondContact O-CG2 3.32Å; K320-T326 PolarHBondContact O-OG1 3.18Å; H323-T326 WeakPolarHBondContact O-CB 3.44Å; H323-T326 PolarHBondContact O-N 2.81Å; H323-T326 PolarHBondContact O-OG1 2.83Å; E324-T326 PolarHBondContact O-N 2.93Å | ||
| 327 | N | 92.2 | Very high | 86.1 | Confident | 71 Ų | 71 | 51.5 Ų | 51.5 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | trans | -121.9 | 179.4 | 172.7 | -62.5 | -65.2 | 0 | 0 | 0 | 110.7 | L317 D318 | L317-N327 WeakPolarHBondContact CA-O 3.17Å; D318-N327 PolarHBondContact N-O 2.75Å; D318-N327 VanDerWaalsContact N-O 3.1Å; D318-N327 PolarHBondContact OD1-N 2.8Å | ||
| 328 | L | 93.8 | Very high | 85.3 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 146.6 | 164.7 | -60.7 | 174.4 | 0 | 0 | 0 | 109.1 | H236 V279 P304 L306 L315 L317 S330 Y349 L373 | H236-L328 PolarHBondContact CE1-O 3.5Å; H236-L328 PolarHBondContact NE2-O 3.13Å; V279-L328 HydrophobicContact CB-CD1 4.25Å; V279-L328 HydrophobicContact CG1-CD1 4.36Å; V279-L328 HydrophobicContact CG1-CD2 4.32Å; P304-L328 HydrophobicContact CB-CD1 4.16Å; L306-L328 HydrophobicContact CB-CD2 4.34Å; L306-L328 HydrophobicContact CB-CG 4.26Å; L306-L328 HydrophobicContact CD1-CD2 4.09Å; L315-L328 HydrophobicContact CD1-CD2 3.94Å; L315-L328 HydrophobicContact CD2-CD2 3.69Å; L315-L328 HydrophobicContact CG-CD2 4Å; L317-L328 HydrophobicContact CD2-CD2 4.41Å; L328-S330 PolarHBondContact O-N 3.19Å; L328-Y349 WeakPolarHBondContact CB-OH 3.44Å; L328-L373 HydrophobicContact CB-CD2 4.4Å; L328-L373 HydrophobicContact CD1-CD2 4.38Å |
| 329 | A | 94.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 133.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | V152 A316 V347 Y349 | V152-A329 HydrophobicContact CG1-CB 4.02Å; V152-A329 HydrophobicContact CG2-CB 4.36Å; A316-A329 HydrophobicContact CB-CB 3.84Å; A316-A329 WeakPolarHBondContact O-CB 3.49Å; A316-A329 PolarHBondContact O-N 2.81Å; A329-V347 HydrophobicContact CB-CB 4.43Å; A329-V347 HydrophobicContact CB-CG1 4.16Å; A329-V347 HydrophobicContact CB-CG2 3.87Å; A329-Y349 VanDerWaalsContact O-CE2 3.26Å; A329-Y349 WeakPolarHBondContact O-CE2 3.46Å; A329-Y349 PolarHBondContact O-OH 2.77Å |
| 330 | S | 94 | Very high | 84.4 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 155.9 | 170.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | H236 L328 L373 | H236-S330 PolarHBondContact NE2-OG 3.11Å; L328-S330 PolarHBondContact O-N 3.19Å; S330-L373 CarbonylContact C-O 3.54Å; S330-L373 WeakPolarHBondContact CA-O 3.44Å |
| 331 | S | 93.7 | Very high | 84.2 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.4 | 177.8 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | V347 Y349 L373 | S331-V347 WeakPolarHBondContact CA-O 3.15Å; S331-Y349 VanDerWaalsContact OG-CD2 3.31Å; S331-Y349 WeakPolarHBondContact OG-CD2 3.49Å; S331-L373 PolarHBondContact N-O 2.84Å; S331-L373 PolarHBondContact OG-N 3.12Å; S331-L373 PolarHBondContact OG-O 3.17Å |
| 332 | T | 91.5 | Very high | 84.1 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -85 | 116.5 | 178.5 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | V334 L343 V347 | T332-V334 HydrophobicContact CG2-CG2 4.39Å; T332-V334 PolarHBondContact O-N 2.98Å; T332-L343 HydrophobicContact CG2-CD1 4.07Å; T332-V347 PolarHBondContact N-O 2.85Å; T332-V347 PolarHBondContact OG1-N 3.5Å |
| 333 | I | 87.2 | Confident | 84.1 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | trans | -81.7 | 109 | 174.4 | -53.2 | -54 | 0 | 0 | 0 | 108.3 | L54 V199 I372 | L54-I333 HydrophobicContact CD1-CG1 4.26Å; L54-I333 HydrophobicContact CD1-CG2 4.43Å; L54-I333 HydrophobicContact CD2-CB 4.01Å; L54-I333 HydrophobicContact CD2-CG1 4.07Å; L54-I333 HydrophobicContact CD2-CG2 4.47Å; V199-I333 HydrophobicContact CG2-CD1 4Å; V199-I333 HydrophobicContact CG2-CG1 3.72Å; I333-I372 HydrophobicContact CD1-CD1 4Å; I333-I372 HydrophobicContact CD1-CG1 4.46Å; I333-I372 HydrophobicContact CD1-CG2 4.28Å | ||
| 334 | V | 79.9 | Confident | 84.2 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | trans | -92.4 | 111.3 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | T332 R340 L343 I346 | T332-V334 HydrophobicContact CG2-CG2 4.39Å; T332-V334 PolarHBondContact O-N 2.98Å; V334-R340 HydrophobicContact CG1-CG 4.49Å; V334-L343 HydrophobicContact CG1-CD1 4.36Å; V334-L343 HydrophobicContact CG2-CD1 3.99Å; V334-I346 HydrophobicContact CG2-CD1 4.06Å; V334-I346 HydrophobicContact CG2-CG1 4.49Å; V334-I346 HydrophobicContact CG2-CG2 4.03Å | ||
| 335 | T | 76 | Confident | 84.4 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | trans | -90.8 | 150.2 | 166.4 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | E337 I338 | T335-E337 PolarHBondContact O-N 2.89Å; T335-I338 PolarHBondContact O-N 3.19Å; T335-I338 WeakPolarHBondContact OG1-CD1 3.36Å | ||
| 336 | N | 72.8 | Confident | 84.7 | Confident | 177 Ų | 177 | 51.5 Ų | 51.5 | 95% | 0.947 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.4 | -178.9 | -73.5 | -20.4 | 0 | 0 | 0 | 113.6 | ||
| 337 | E | 75.6 | Confident | 85 | Confident | 179 Ų | 179 | 51.2 Ų | 51.2 | 84% | 0.836 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22.8 | -177.5 | -59.5 | -178.8 | 175.8 | 0 | 0 | 112.9 | T335 | T335-E337 PolarHBondContact O-N 2.89Š|
| 338 | I | 75.1 | Confident | 85.1 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -101.8 | 119.9 | -173.5 | -55.1 | 164.2 | 0 | 0 | 0 | 109.4 | T335 R340 N342 L343 | T335-I338 PolarHBondContact O-N 3.19Å; T335-I338 WeakPolarHBondContact OG1-CD1 3.36Å; I338-R340 PolarHBondContact O-N 3.25Å; I338-N342 HydrophobicContact CG2-CB 4.42Å; I338-L343 HydrophobicContact CG2-CD2 3.83Å; I338-L343 HydrophobicContact CG2-CG 4.01Å |
| 339 | P | 79.6 | Confident | 85.3 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | trans | -56.7 | 128 | 172.2 | -23.2 | 32.8 | 0 | 0 | 0 | 110.2 | E341 N342 | P339-E341 HydrophobicContact CB-CG 3.84Å; P339-E341 PolarHBondContact O-N 2.7Å; P339-N342 WeakPolarHBondContact O-CB 3.26Å; P339-N342 PolarHBondContact O-N 3.09Å | ||
| 340 | R | 80.7 | Confident | 85.4 | Confident | 166 Ų | 166 | 55.4 Ų | 55.4 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -55 | -30.7 | -178.8 | -67.9 | -174.2 | 178.5 | -169.5 | -1.9 | 112.9 | C268 V334 I338 N342 L343 I346 | C268-R340 HydrophobicContact CB-CB 4.16Å; C268-R340 VanDerWaalsContact CB-O 3.26Å; C268-R340 WeakPolarHBondContact CB-O 3.25Å; V334-R340 HydrophobicContact CG1-CG 4.49Å; I338-R340 PolarHBondContact O-N 3.25Å; R340-N342 PolarHBondContact O-N 3.37Å; R340-L343 PolarHBondContact O-N 2.49Å; R340-I346 HydrophobicContact CB-CD1 4.07Å; R340-I346 HydrophobicContact CG-CD1 3.98Å |
| 341 | E | 78.3 | Confident | 85.5 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -22.4 | 175.9 | 59.6 | 172.2 | 164.6 | 0 | 0 | 114.7 | K101 C268 L269 P339 | K101-E341 IonicContact NZ-OE2 3.25Å; C268-E341 VanDerWaalsContact O-CA 3.24Å; C268-E341 WeakPolarHBondContact O-CA 3.49Å; C268-E341 WeakPolarHBondContact O-CB 3.38Å; L269-E341 WeakPolarHBondContact CD2-O 3.24Å; P339-E341 HydrophobicContact CB-CG 3.84Å; P339-E341 PolarHBondContact O-N 2.7Å |
| 342 | N | 79.2 | Confident | 85.6 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -83.6 | -19.1 | 177.7 | -69 | -11.4 | 0 | 0 | 0 | 112.3 | A149 I338 P339 R340 G344 | A149-N342 WeakPolarHBondContact CB-O 3.48Å; I338-N342 HydrophobicContact CG2-CB 4.42Å; P339-N342 WeakPolarHBondContact O-CB 3.26Å; P339-N342 PolarHBondContact O-N 3.09Å; R340-N342 PolarHBondContact O-N 3.37Å; N342-G344 VanDerWaalsContact C-N 3.34Å |
| 343 | L | 81.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.9 | -20.7 | 176.7 | -62.2 | 174.9 | 0 | 0 | 0 | 112.4 | A149 T332 V334 I338 R340 I345 I346 | A149-L343 VanDerWaalsContact CB-O 3.26Å; A149-L343 WeakPolarHBondContact CB-O 3.29Å; T332-L343 HydrophobicContact CG2-CD1 4.07Å; V334-L343 HydrophobicContact CG1-CD1 4.36Å; V334-L343 HydrophobicContact CG2-CD1 3.99Å; I338-L343 HydrophobicContact CG2-CD2 3.83Å; I338-L343 HydrophobicContact CG2-CG 4.01Å; R340-L343 PolarHBondContact O-N 2.49Å; L343-I345 PolarHBondContact O-N 2.68Å; L343-I346 HydrophobicContact CB-CG1 4.36Å; L343-I346 HydrophobicContact CD1-CD1 4.24Å; L343-I346 HydrophobicContact CD1-CG1 4.2Å |
| 344 | G | 84.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 73.4 | -70.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C268 N342 | C268-G344 PolarHBondContact N-O 3.38Å; N342-G344 VanDerWaalsContact C-N 3.34Å |
| 345 | I | 89.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.9 | -179 | -55.1 | 169.3 | 0 | 0 | 0 | 109.1 | F85 V152 L154 A265 A266 L343 V347 | F85-I345 HydrophobicContact CE2-CD1 4.02Å; F85-I345 HydrophobicContact CE2-CG1 3.78Å; V152-I345 HydrophobicContact CB-CB 4.4Å; V152-I345 HydrophobicContact CB-CD1 4.34Å; V152-I345 HydrophobicContact CG1-CB 4.13Å; V152-I345 HydrophobicContact CG1-CD1 4.05Å; V152-I345 HydrophobicContact CG1-CG2 3.97Å; L154-I345 HydrophobicContact CD1-CD1 3.93Å; L154-I345 HydrophobicContact CD1-CG1 4.49Å; L154-I345 HydrophobicContact CG-CD1 3.97Å; A265-I345 HydrophobicContact CB-CG2 4.22Å; A266-I345 WeakPolarHBondContact O-CA 3.31Å; L343-I345 PolarHBondContact O-N 2.68Å; I345-V347 HydrophobicContact CG2-CG2 4.13Å |
| 346 | I | 91.6 | Very high | 87.6 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.3 | 174.2 | -59 | -179.7 | 0 | 0 | 0 | 108.3 | A265 A266 C268 V334 R340 L343 E348 | A265-I346 CarbonylContact C-O 3.48Å; A265-I346 WeakPolarHBondContact CA-O 3.43Å; A266-I346 PolarHBondContact N-O 3.4Å; A266-I346 PolarHBondContact O-N 3.3Å; C268-I346 WeakPolarHBondContact SG-CD1 3.4Å; V334-I346 HydrophobicContact CG2-CD1 4.06Å; V334-I346 HydrophobicContact CG2-CG1 4.49Å; V334-I346 HydrophobicContact CG2-CG2 4.03Å; R340-I346 HydrophobicContact CB-CD1 4.07Å; R340-I346 HydrophobicContact CG-CD1 3.98Å; L343-I346 HydrophobicContact CB-CG1 4.36Å; L343-I346 HydrophobicContact CD1-CD1 4.24Å; L343-I346 HydrophobicContact CD1-CG1 4.2Å; I346-E348 HydrophobicContact CG2-CG 4.3Å |
| 347 | V | 94.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.2 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V152 Q263 R264 A316 A329 S331 T332 I345 Y349 | V152-V347 HydrophobicContact CG1-CG2 4.01Å; Q263-V347 HydrophobicContact CG-CG1 3.87Å; R264-V347 WeakPolarHBondContact O-CA 3.24Å; A316-V347 HydrophobicContact CB-CG1 4.44Å; A316-V347 HydrophobicContact CB-CG2 3.79Å; A329-V347 HydrophobicContact CB-CB 4.43Å; A329-V347 HydrophobicContact CB-CG1 4.16Å; A329-V347 HydrophobicContact CB-CG2 3.87Å; S331-V347 WeakPolarHBondContact CA-O 3.15Å; T332-V347 PolarHBondContact N-O 2.85Å; T332-V347 PolarHBondContact OG1-N 3.5Å; I345-V347 HydrophobicContact CG2-CG2 4.13Å; V347-Y349 HydrophobicContact CG1-CD2 4.28Å; V347-Y349 HydrophobicContact CG1-CE2 3.61Å |
| 348 | E | 95.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.2 | 177.5 | -62.8 | 178.1 | 162.7 | 0 | 0 | 110 | R264 I346 | R264-E348 HydrophobicContact CB-CB 4.41Å; R264-E348 PolarHBondContact N-O 2.94Å; R264-E348 IonicContact NH1-OE2 3.73Å; R264-E348 PolarHBondContact NH1-OE2 2.8Å; R264-E348 PolarHBondContact O-N 2.84Å; I346-E348 HydrophobicContact CG2-CG 4.3Å |
| 349 | Y | 96.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142 | 175 | -72.5 | -96.6 | 0 | 0 | 0 | 111.9 | V261 V262 Q263 V279 L328 A329 S331 V347 F371 L373 | V261-Y349 HydrophobicContact CG1-CD1 4.48Å; V262-Y349 WeakPolarHBondContact O-CA 3.47Å; Q263-Y349 HydrophobicContact CB-CD1 4.15Å; Q263-Y349 HydrophobicContact CB-CE1 3.74Å; Q263-Y349 HydrophobicContact CG-CD1 4.43Å; Q263-Y349 HydrophobicContact CG-CE1 3.83Å; Q263-Y349 HydrophobicContact CG-CE2 4.28Å; Q263-Y349 PolarHBondContact NE2-OH 2.96Å; V279-Y349 HydrophobicContact CG2-CE1 4.29Å; L328-Y349 WeakPolarHBondContact CB-OH 3.44Å; A329-Y349 VanDerWaalsContact O-CE2 3.26Å; A329-Y349 WeakPolarHBondContact O-CE2 3.46Å; A329-Y349 PolarHBondContact O-OH 2.77Å; S331-Y349 VanDerWaalsContact OG-CD2 3.31Å; S331-Y349 WeakPolarHBondContact OG-CD2 3.49Å; V347-Y349 HydrophobicContact CG1-CD2 4.28Å; V347-Y349 HydrophobicContact CG1-CE2 3.61Å; Y349-F371 VanDerWaalsContact CB-CZ 3.44Å; Y349-F371 HydrophobicContact CD1-CE2 4.41Å; Y349-F371 AromaticContact CD1-CZ 3.96Å; Y349-F371 HydrophobicContact CD1-CZ 3.96Å; Y349-F371 HydrophobicContact CG-CE2 4.21Å; Y349-F371 HydrophobicContact CG-CZ 4.02Å; Y349-F371 PolarHBondContact O-N 2.82Å; Y349-L373 HydrophobicContact CD1-CD2 4.23Å; Y349-L373 HydrophobicContact CD2-CB 3.8Å; Y349-L373 HydrophobicContact CE1-CD2 3.62Å; Y349-L373 HydrophobicContact CE2-CB 3.84Å; Y349-L373 HydrophobicContact CE2-CD2 3.96Å; Y349-L373 HydrophobicContact CG-CB 4.13Å; Y349-L373 VanDerWaalsContact CZ-CD2 3.46Å |
| 350 | R | 96 | Very high | 87.8 | Confident | 87 Ų | 87 | 40 Ų | 40 | 33% | 0.328 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139.7 | 176.9 | -60.8 | -173.8 | -179.9 | -163.9 | -5.7 | 111.7 | V262 E368 L369 | V262-R350 PolarHBondContact N-O 3.08Å; V262-R350 PolarHBondContact O-N 2.81Å; R350-E368 WeakPolarHBondContact CD-OE2 3.41Å; R350-E368 IonicContact CZ-OE2 2.81Å; R350-E368 IonicContact NE-OE2 2.68Å; R350-E368 IonicContact NH1-OE2 2.7Å; R350-E368 PolarHBondContact NH1-OE2 3.14Å; R350-L369 CarbonylContact C-O 3.58Å; R350-L369 WeakPolarHBondContact CA-O 3.36Å |
| 351 | V | 96.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.5 | 165.5 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | L229 I240 V242 I259 I260 V261 V353 E368 L369 F371 | L229-V351 HydrophobicContact CD1-CG2 4.21Å; L229-V351 HydrophobicContact CD2-CB 4.28Å; L229-V351 HydrophobicContact CD2-CG1 4.48Å; L229-V351 HydrophobicContact CD2-CG2 3.93Å; I240-V351 HydrophobicContact CG2-CG2 4.22Å; V242-V351 HydrophobicContact CG1-CG1 4.18Å; V242-V351 HydrophobicContact CG2-CG1 3.8Å; I259-V351 HydrophobicContact CG2-CG1 3.74Å; I260-V351 CarbonylContact O-C 3.57Å; V261-V351 HydrophobicContact CG2-CG2 4.45Å; V351-V353 HydrophobicContact CG1-CG2 4.45Å; V351-E368 CarbonylContact O-C 3.52Å; V351-E368 VanDerWaalsContact O-CA 3.26Å; V351-E368 WeakPolarHBondContact O-CA 3.37Å; V351-L369 HydrophobicContact CB-CB 4.42Å; V351-L369 PolarHBondContact N-O 3.2Å; V351-L369 PolarHBondContact O-N 2.6Å; V351-F371 HydrophobicContact CG2-CD1 3.76Å; V351-F371 HydrophobicContact CG2-CE1 3.65Å |
| 352 | R | 96.5 | Very high | 86 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.9 | 178.1 | -173.1 | -177.7 | -74 | 173 | -13.4 | 109.7 | I259 I260 V262 R354 C366 G367 E368 | I259-R352 WeakPolarHBondContact CA-O 3.43Å; I260-R352 HydrophobicContact CB-CB 4.35Å; I260-R352 PolarHBondContact N-O 3.06Å; I260-R352 PolarHBondContact O-N 2.95Å; V262-R352 HydrophobicContact CG2-CB 4.39Å; R352-R354 VanDerWaalsContact CD-NE 3.29Å; R352-R354 HydrophobicContact CG-CG 4.14Å; R352-C366 WeakPolarHBondContact CG-SG 3.46Å; R352-G367 CarbonylContact C-O 3.56Å; R352-G367 WeakPolarHBondContact CA-O 3.39Å; R352-E368 HydrophobicContact CB-CG 4.22Å; R352-E368 HydrophobicContact CG-CG 4.03Å; R352-E368 IonicContact CZ-OE1 3.58Å; R352-E368 IonicContact NE-OE1 3.2Å; R352-E368 PolarHBondContact NE-OE1 2.81Å; R352-E368 IonicContact NH2-OE1 2.71Å; R352-E368 PolarHBondContact NH2-OE1 2.81Å |
| 353 | V | 96 | Very high | 85.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.5 | 176 | -178 | 0 | 0 | 0 | 0 | 108.4 | F210 A227 V242 V244 I257 I259 V351 C366 G367 | F210-V353 HydrophobicContact CE1-CB 4.42Å; F210-V353 HydrophobicContact CE1-CG2 4.26Å; F210-V353 HydrophobicContact CZ-CB 4.03Å; F210-V353 HydrophobicContact CZ-CG2 4.24Å; A227-V353 HydrophobicContact CB-CG2 4.18Å; V242-V353 HydrophobicContact CG1-CG2 4.2Å; V244-V353 HydrophobicContact CG1-CG1 4.36Å; V244-V353 HydrophobicContact CG2-CG1 4.33Å; V244-V353 HydrophobicContact CG2-CG2 4.42Å; I257-V353 HydrophobicContact CD1-CG1 3.92Å; I257-V353 HydrophobicContact CG1-CG1 4.26Å; I259-V353 HydrophobicContact CG1-CG2 4.48Å; V351-V353 HydrophobicContact CG1-CG2 4.45Å; V353-C366 VanDerWaalsContact O-CA 3.31Å; V353-C366 WeakPolarHBondContact O-CA 3.42Å; V353-G367 PolarHBondContact N-O 2.88Å; V353-G367 PolarHBondContact O-N 2.8Å |
| 354 | R | 94.7 | Very high | 86.1 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.4 | 179.9 | -69.3 | -172.6 | 177 | -178.5 | 3.8 | 111.4 | I257 K258 R352 L365 C366 | I257-R354 WeakPolarHBondContact CA-O 3.49Å; K258-R354 HydrophobicContact CB-CB 4.36Å; K258-R354 PolarHBondContact N-O 2.87Å; K258-R354 PolarHBondContact O-N 2.68Å; R352-R354 VanDerWaalsContact CD-NE 3.29Å; R352-R354 HydrophobicContact CG-CG 4.14Å; R354-L365 WeakPolarHBondContact CA-O 3.38Å; R354-C366 HydrophobicContact CG-CB 4.11Å |
| 355 | L | 92.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.3 | 169.6 | -58.7 | -169.9 | 0 | 0 | 0 | 110.3 | L223 V225 I246 V254 I257 E364 L365 | L223-L355 HydrophobicContact CD2-CD1 4.4Å; V225-L355 HydrophobicContact CG1-CD1 4.46Å; V225-L355 HydrophobicContact CG2-CD1 3.27Å; V225-L355 HydrophobicContact CG2-CG 4.3Å; I246-L355 HydrophobicContact CD1-CD1 3.84Å; I246-L355 HydrophobicContact CD1-CD2 3.59Å; I246-L355 HydrophobicContact CD1-CG 4.39Å; I246-L355 HydrophobicContact CG1-CD1 4.18Å; I246-L355 HydrophobicContact CG2-CD1 4.12Å; V254-L355 HydrophobicContact CG1-CB 3.95Å; V254-L355 HydrophobicContact CG1-CD1 4.23Å; V254-L355 HydrophobicContact CG1-CD2 4.27Å; V254-L355 HydrophobicContact CG1-CG 4.4Å; I257-L355 HydrophobicContact CB-CD2 3.79Å; I257-L355 HydrophobicContact CD1-CD2 3.86Å; I257-L355 HydrophobicContact CG1-CD2 3.68Å; L355-E364 WeakPolarHBondContact O-CA 3.21Å; L355-L365 HydrophobicContact CB-CB 4.4Å; L355-L365 PolarHBondContact N-O 2.8Å; L355-L365 PolarHBondContact O-N 3.29Å |
| 356 | T | 91.5 | Very high | 86.5 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.6 | 173.2 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | K255 K256 | K255-T356 PolarHBondContact N-O 3.03Å; K256-T356 WeakPolarHBondContact CE-OG1 3.25Å; K256-T356 PolarHBondContact O-N 2.81Å; K256-T356 VanDerWaalsContact O-N 3.08Å |
| 357 | L | 90.2 | Very high | 86.6 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 155.3 | -179.1 | -50.9 | 174.3 | 0 | 0 | 0 | 111.6 | F216 L223 V254 G363 | F216-L357 HydrophobicContact CE1-CD1 3.44Å; F216-L357 VanDerWaalsContact CE1-CD1 3.44Å; F216-L357 HydrophobicContact CZ-CD1 3.33Å; L223-L357 HydrophobicContact CD2-CD1 4.26Å; L223-L357 HydrophobicContact CD2-CD2 3.47Å; L223-L357 VanDerWaalsContact CD2-CD2 3.47Å; L223-L357 HydrophobicContact CD2-CG 4.49Å; V254-L357 HydrophobicContact CB-CD2 4.32Å; V254-L357 HydrophobicContact CG1-CD2 4.28Å; V254-L357 HydrophobicContact CG2-CD2 3.81Å; L357-G363 VanDerWaalsContact CB-O 3.32Å; L357-G363 WeakPolarHBondContact CB-O 3.33Å; L357-G363 WeakPolarHBondContact CD1-O 3.37Å; L357-G363 VanDerWaalsContact CG-O 3.32Å; L357-G363 WeakPolarHBondContact CG-O 3.21Å; L357-G363 PolarHBondContact N-O 3.18Å |
| 358 | S | 83.8 | Confident | 86.7 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 145.5 | 172.1 | 69 | 0 | 0 | 0 | 0 | 112.4 | T253 K255 | T253-S358 PolarHBondContact N-OG 3.26Å; T253-S358 WeakPolarHBondContact O-CB 3.47Å; T253-S358 PolarHBondContact O-N 2.95Å; T253-S358 PolarHBondContact O-OG 2.94Å; T253-S358 VanDerWaalsContact OG1-CB 3.25Å; T253-S358 WeakPolarHBondContact OG1-CB 3.49Å; T253-S358 PolarHBondContact OG1-OG 3.5Å; K255-S358 VanDerWaalsContact CE-CB 3.47Å |
| 359 | G | 72.5 | Confident | 86.7 | Confident | 43 Ų | 43 | 44 Ų | 44 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 129.3 | 167.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L361 S362 | G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 2.92Å; G359-S362 PolarHBondContact O-N 3.43Å |
| 360 | A | 60.8 | Low | 86.6 | Confident | 108 Ų | 108 | 47.4 Ų | 47.4 | 89% | 0.893 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.4 | -22.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 361 | L | 61.3 | Low | 86.5 | Confident | 156 Ų | 156 | 43.7 Ų | 43.7 | 82% | 0.817 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -103.8 | 70.8 | 166.9 | -68.3 | 167.8 | 0 | 0 | 0 | 107.4 | G359 G363 | G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 2.92Å; L361-G363 PolarHBondContact O-N 2.83Å |
| 362 | S | 61.5 | Low | 86.3 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 67% | 0.671 | 27% | 0.274 | S | S | * | . | trans | -60.3 | 73.6 | -174.7 | 46.2 | 0 | 0 | 0 | 0 | 112 | G359 | G359-S362 PolarHBondContact O-N 3.43Š| ||
| 363 | G | 75.6 | Confident | 86.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | trans | -74.8 | 143.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L357 L361 | L357-G363 VanDerWaalsContact CB-O 3.32Å; L357-G363 WeakPolarHBondContact CB-O 3.33Å; L357-G363 WeakPolarHBondContact CD1-O 3.37Å; L357-G363 VanDerWaalsContact CG-O 3.32Å; L357-G363 WeakPolarHBondContact CG-O 3.21Å; L357-G363 PolarHBondContact N-O 3.18Å; L361-G363 PolarHBondContact O-N 2.83Å | ||
| 364 | E | 86.6 | Confident | 86 | Confident | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.8 | 164.5 | -61.3 | -171.8 | 166.2 | 0 | 0 | 108.6 | K214 L355 | K214-E364 PolarHBondContact NZ-O 2.8Å; K214-E364 VanDerWaalsContact NZ-O 3.12Å; L355-E364 WeakPolarHBondContact O-CA 3.21Å |
| 365 | L | 89.8 | Confident | 85.7 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.7 | 163.7 | -179.2 | 58.6 | 0 | 0 | 0 | 107 | L212 K214 L223 V225 R354 L355 | L212-L365 HydrophobicContact CB-CD1 4.34Å; L212-L365 HydrophobicContact CD1-CD1 4.46Å; K214-L365 HydrophobicContact CB-CD1 4.15Å; K214-L365 HydrophobicContact CB-CD2 4.32Å; K214-L365 HydrophobicContact CD-CD1 4.22Å; L223-L365 HydrophobicContact CD2-CD2 3.89Å; L223-L365 HydrophobicContact CG-CD2 4.1Å; V225-L365 HydrophobicContact CB-CD2 4.25Å; V225-L365 HydrophobicContact CG2-CD2 3.44Å; V225-L365 VanDerWaalsContact CG2-CD2 3.44Å; V225-L365 HydrophobicContact CG2-CG 4.38Å; R354-L365 WeakPolarHBondContact CA-O 3.38Å; L355-L365 HydrophobicContact CB-CB 4.4Å; L355-L365 PolarHBondContact N-O 2.8Å; L355-L365 PolarHBondContact O-N 3.29Å |
| 366 | C | 92.9 | Very high | 85.2 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126 | -172 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L212 R352 V353 R354 | L212-C366 WeakPolarHBondContact CD1-O 3.42Å; R352-C366 WeakPolarHBondContact CG-SG 3.46Å; V353-C366 VanDerWaalsContact O-CA 3.31Å; V353-C366 WeakPolarHBondContact O-CA 3.42Å; R354-C366 HydrophobicContact CG-CB 4.11Å |
| 367 | G | 93.8 | Very high | 84.2 | Confident | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 157.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L212 R352 V353 | L212-G367 VanDerWaalsContact CD1-CA 3.43Å; R352-G367 CarbonylContact C-O 3.56Å; R352-G367 WeakPolarHBondContact CA-O 3.39Å; V353-G367 PolarHBondContact N-O 2.88Å; V353-G367 PolarHBondContact O-N 2.8Å |
| 368 | E | 95.6 | Very high | 82.9 | Confident | 63 Ų | 63 | 50 Ų | 50 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.7 | -179.8 | -65.5 | -172.6 | 169.6 | 0 | 0 | 111.3 | R350 V351 R352 | R350-E368 WeakPolarHBondContact CD-OE2 3.41Å; R350-E368 IonicContact CZ-OE2 2.81Å; R350-E368 IonicContact NE-OE2 2.68Å; R350-E368 IonicContact NH1-OE2 2.7Å; R350-E368 PolarHBondContact NH1-OE2 3.14Å; V351-E368 CarbonylContact O-C 3.52Å; V351-E368 VanDerWaalsContact O-CA 3.26Å; V351-E368 WeakPolarHBondContact O-CA 3.37Å; R352-E368 HydrophobicContact CB-CG 4.22Å; R352-E368 HydrophobicContact CG-CG 4.03Å; R352-E368 IonicContact CZ-OE1 3.58Å; R352-E368 IonicContact NE-OE1 3.2Å; R352-E368 PolarHBondContact NE-OE1 2.81Å; R352-E368 IonicContact NH2-OE1 2.71Å; R352-E368 PolarHBondContact NH2-OE1 2.81Å |
| 369 | L | 94.8 | Very high | 81.4 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | 172.7 | -63.6 | 168.3 | 0 | 0 | 0 | 109 | P208 F210 A227 L229 R350 V351 | P208-L369 HydrophobicContact CB-CB 4.48Å; P208-L369 HydrophobicContact CB-CD2 4.32Å; F210-L369 HydrophobicContact CB-CD2 4.04Å; F210-L369 HydrophobicContact CD1-CD1 4.16Å; F210-L369 HydrophobicContact CD1-CD2 3.39Å; F210-L369 HydrophobicContact CD1-CG 3.48Å; F210-L369 VanDerWaalsContact CD1-CG 3.48Å; F210-L369 HydrophobicContact CE1-CD1 4.17Å; F210-L369 HydrophobicContact CE1-CD2 4.21Å; F210-L369 HydrophobicContact CE1-CG 3.82Å; F210-L369 HydrophobicContact CG-CD2 4.12Å; A227-L369 HydrophobicContact CB-CD1 4.12Å; L229-L369 HydrophobicContact CD1-CB 4.01Å; L229-L369 HydrophobicContact CD2-CD1 3.9Å; L229-L369 HydrophobicContact CG-CB 4.11Å; L229-L369 HydrophobicContact CG-CD1 3.75Å; R350-L369 CarbonylContact C-O 3.58Å; R350-L369 WeakPolarHBondContact CA-O 3.36Å; V351-L369 HydrophobicContact CB-CB 4.42Å; V351-L369 PolarHBondContact N-O 3.2Å; V351-L369 PolarHBondContact O-N 2.6Å |
| 370 | P | 94.8 | Very high | 80.1 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 149.2 | 170.8 | 32.3 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 371 | F | 94.1 | Very high | 79.1 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.7 | 168.7 | 72 | -86.6 | 0 | 0 | 0 | 110.3 | L229 E232 Y234 I240 V261 Y349 V351 L373 | L229-F371 HydrophobicContact CD1-CB 3.81Å; L229-F371 HydrophobicContact CD1-CD1 4.39Å; L229-F371 HydrophobicContact CD1-CG 4.4Å; E232-F371 CarbonylContact O-C 3.58Å; E232-F371 WeakPolarHBondContact O-CA 3.45Å; E232-F371 WeakPolarHBondContact O-CB 3.43Å; Y234-F371 HydrophobicContact CD2-CB 4.28Å; Y234-F371 AromaticContact CD2-CD2 3.72Å; Y234-F371 HydrophobicContact CD2-CD2 3.72Å; Y234-F371 HydrophobicContact CD2-CE2 4.39Å; Y234-F371 HydrophobicContact CD2-CG 4.25Å; Y234-F371 HydrophobicContact CE2-CB 4.26Å; Y234-F371 HydrophobicContact CE2-CD2 4.36Å; Y234-F371 HydrophobicContact CE2-CG 4.46Å; I240-F371 HydrophobicContact CD1-CD2 4.36Å; I240-F371 HydrophobicContact CD1-CE1 4.15Å; I240-F371 HydrophobicContact CD1-CE2 3.64Å; I240-F371 HydrophobicContact CD1-CZ 3.5Å; V261-F371 HydrophobicContact CG1-CE1 3.8Å; V261-F371 HydrophobicContact CG1-CZ 3.53Å; Y349-F371 VanDerWaalsContact CB-CZ 3.44Å; Y349-F371 HydrophobicContact CD1-CE2 4.41Å; Y349-F371 AromaticContact CD1-CZ 3.96Å; Y349-F371 HydrophobicContact CD1-CZ 3.96Å; Y349-F371 HydrophobicContact CG-CE2 4.21Å; Y349-F371 HydrophobicContact CG-CZ 4.02Å; Y349-F371 PolarHBondContact O-N 2.82Å; V351-F371 HydrophobicContact CG2-CD1 3.76Å; V351-F371 HydrophobicContact CG2-CE1 3.65Å; F371-L373 HydrophobicContact CE2-CB 4.05Å; F371-L373 HydrophobicContact CE2-CD1 4.49Å |
| 372 | I | 93.6 | Very high | 78.2 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.3 | 179.6 | -61.9 | 174.4 | 0 | 0 | 0 | 108.5 | V199 Y204 E232 L233 Y234 I333 | V199-I372 HydrophobicContact CB-CG2 4.48Å; V199-I372 HydrophobicContact CG2-CG2 4.21Å; Y204-I372 HydrophobicContact CD1-CD1 3.89Å; Y204-I372 HydrophobicContact CD2-CD1 4.12Å; Y204-I372 HydrophobicContact CE1-CD1 3.47Å; Y204-I372 VanDerWaalsContact CE1-CD1 3.47Å; Y204-I372 HydrophobicContact CE2-CD1 3.77Å; Y204-I372 HydrophobicContact CG-CD1 4.18Å; Y204-I372 VanDerWaalsContact CZ-CD1 3.41Å; E232-I372 PolarHBondContact O-N 2.83Å; L233-I372 CarbonylContact C-O 3.52Å; L233-I372 WeakPolarHBondContact CA-O 3.21Å; L233-I372 HydrophobicContact CB-CB 4.47Å; L233-I372 HydrophobicContact CD1-CG2 4.29Å; L233-I372 HydrophobicContact CG-CB 4.48Å; L233-I372 HydrophobicContact CG-CG2 4.32Å; Y234-I372 PolarHBondContact N-O 2.81Å; I333-I372 HydrophobicContact CD1-CD1 4Å; I333-I372 HydrophobicContact CD1-CG1 4.46Å; I333-I372 HydrophobicContact CD1-CG2 4.28Å |
| 373 | L | 93.6 | Very high | 76.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.7 | 167.4 | -169.8 | 67.1 | 0 | 0 | 0 | 110 | Y234 H236 P304 L328 S330 S331 Y349 F371 | Y234-L373 WeakPolarHBondContact O-CA 3.14Å; H236-L373 VanDerWaalsContact CE1-CD2 3.44Å; H236-L373 WeakPolarHBondContact CE1-CD2 3.14Å; H236-L373 WeakPolarHBondContact ND1-CD2 3.3Å; P304-L373 HydrophobicContact CG-CD1 4.5Å; L328-L373 HydrophobicContact CB-CD2 4.4Å; L328-L373 HydrophobicContact CD1-CD2 4.38Å; S330-L373 CarbonylContact C-O 3.54Å; S330-L373 WeakPolarHBondContact CA-O 3.44Å; S331-L373 PolarHBondContact N-O 2.84Å; S331-L373 PolarHBondContact OG-N 3.12Å; S331-L373 PolarHBondContact OG-O 3.17Å; Y349-L373 HydrophobicContact CD1-CD2 4.23Å; Y349-L373 HydrophobicContact CD2-CB 3.8Å; Y349-L373 HydrophobicContact CE1-CD2 3.62Å; Y349-L373 HydrophobicContact CE2-CB 3.84Å; Y349-L373 HydrophobicContact CE2-CD2 3.96Å; Y349-L373 HydrophobicContact CG-CB 4.13Å; Y349-L373 VanDerWaalsContact CZ-CD2 3.46Å; F371-L373 HydrophobicContact CE2-CB 4.05Å; F371-L373 HydrophobicContact CE2-CD1 4.49Å |
| 374 | T | 92.1 | Very high | 74.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 169.4 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | C198 V199 L233 Y234 Y235 H236 | C198-T374 WeakPolarHBondContact CA-OG1 3.43Å; V199-T374 HydrophobicContact CB-CG2 4.22Å; V199-T374 PolarHBondContact N-OG1 3.42Å; V199-T374 VanDerWaalsContact N-OG1 3.08Å; L233-T374 HydrophobicContact CD1-CG2 3.97Å; L233-T374 HydrophobicContact CD2-CG2 3.62Å; L233-T374 HydrophobicContact CG-CG2 3.79Å; Y234-T374 PolarHBondContact O-N 3.17Å; Y235-T374 CarbonylContact C-O 3.59Å; Y235-T374 VanDerWaalsContact CA-O 3.26Å; Y235-T374 WeakPolarHBondContact CA-O 3.33Å; Y235-T374 HydrophobicContact CD1-CG2 3.82Å; Y235-T374 HydrophobicContact CE1-CG2 3.83Å; H236-T374 PolarHBondContact CD2-O 3.13Å; H236-T374 VanDerWaalsContact CD2-O 3.28Å; H236-T374 PolarHBondContact N-O 3.41Å |
| 375 | R | 87.7 | Confident | 71.8 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -79 | 152.6 | 169.8 | 84.9 | 179.6 | -55.3 | 166.5 | 7.1 | 110.8 | C198 Y235 | C198-R375 HydrophobicContact CB-CG 4.07Å; Y235-R375 VanDerWaalsContact CD1-C 3.42Å; Y235-R375 VanDerWaalsContact CD1-O 3.3Å; Y235-R375 WeakPolarHBondContact CD1-O 3.4Å; Y235-R375 WeakPolarHBondContact CE1-O 3.32Å |
| 376 | P | 82.3 | Confident | 69.3 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 31% | 0.312 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 139.4 | 167.2 | 29.4 | -33.5 | 0 | 0 | 0 | 110.3 | Y235 L378 | Y235-P376 VanDerWaalsContact CD1-CA 3.47Å; Y235-P376 HydrophobicContact CD1-CB 4.07Å; Y235-P376 HydrophobicContact CE1-CB 4.43Å; Y235-P376 HydrophobicContact CG-CB 4.21Å; P376-L378 PolarHBondContact O-N 2.92Å |
| 377 | D | 71.3 | Confident | 66.7 | Low | 45 Ų | 45 | 78.7 Ų | 78.7 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 120.8 | 166.5 | -168.9 | -2.2 | 0 | 0 | 0 | 108.9 | D379 A380 | D377-D379 VanDerWaalsContact C-N 3.34Å; D377-D379 PolarHBondContact OD1-N 3.2Å; D377-A380 HydrophobicContact CB-CB 3.92Å |
| 378 | L | 62.8 | Low | 64.1 | Low | 113 Ų | 113 | 88.9 Ų | 88.9 | 59% | 0.592 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -79.9 | -23 | 178.1 | -71.4 | 168.2 | 0 | 0 | 0 | 111.2 | P376 | P376-L378 PolarHBondContact O-N 2.92Š|
| 379 | D | 52.8 | Low | 61.3 | Low | 85 Ų | 85 | 95.6 Ų | 95.6 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -85.9 | -29.7 | -175.5 | -65.8 | -26.5 | 0 | 0 | 0 | 111.4 | D377 R381 I382 | D377-D379 VanDerWaalsContact C-N 3.34Å; D377-D379 PolarHBondContact OD1-N 3.2Å; D379-R381 PolarHBondContact O-N 3.48Å; D379-I382 PolarHBondContact O-N 2.93Å; D379-I382 VanDerWaalsContact O-N 3.15Å |
| 380 | A | 45.3 | Very low | 58.6 | Low | 56 Ų | 56 | 103.5 Ų | 103.5 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -62.1 | -14.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D377 I382 E383 | D377-A380 HydrophobicContact CB-CB 3.92Å; A380-I382 PolarHBondContact O-N 2.82Å; A380-E383 PolarHBondContact O-N 3.33Å |
| 381 | R | 39.7 | Very low | 56.3 | Low | 200 Ų | 200 | 106.8 Ų | 106.8 | 76% | 0.755 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -71 | -11.4 | 175.7 | -73.3 | -171.5 | 177.6 | -164.3 | -1.2 | 113.6 | D379 | D379-R381 PolarHBondContact O-N 3.48Š|
| 382 | I | 41.8 | Very low | 53.9 | Low | 145 Ų | 145 | 112 Ų | 112 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -89 | -12.8 | -179 | -59.1 | 176.5 | 0 | 0 | 0 | 111.8 | D379 A380 | D379-I382 PolarHBondContact O-N 2.93Å; D379-I382 VanDerWaalsContact O-N 3.15Å; A380-I382 PolarHBondContact O-N 2.82Å |
| 383 | E | 32.9 | Very low | 51.8 | Low | 171 Ų | 171 | 116.7 Ų | 116.7 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | trans | -111.8 | 31.9 | -177.1 | -64.6 | -170.3 | 168 | 0 | 0 | 114.5 | A380 P385 | A380-E383 PolarHBondContact O-N 3.33Å; E383-P385 WeakPolarHBondContact O-CD 3.48Å | ||
| 384 | Q | 28.8 | Very low | 49.3 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | trans | -83 | 109.7 | 157.8 | -78.3 | -172 | -7.7 | 0 | 0 | 108.2 | D386 | Q384-D386 PolarHBondContact O-N 3.19Å; Q384-D386 VanDerWaalsContact O-N 3.09Å | ||
| 385 | P | 28.4 | Very low | 46.7 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | -66.3 | 115.4 | 168.9 | 28 | -29.2 | 0 | 0 | 0 | 106.2 | E383 V387 | E383-P385 WeakPolarHBondContact O-CD 3.48Å; P385-V387 VanDerWaalsContact C-N 3.27Å; P385-V387 PolarHBondContact O-N 2.89Å | ||
| 386 | D | 35.9 | Very low | 44.9 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | trans | -56.3 | 98.3 | 164.3 | -101.7 | -32 | 0 | 0 | 0 | 107.3 | Q384 R388 | Q384-D386 PolarHBondContact O-N 3.19Å; Q384-D386 VanDerWaalsContact O-N 3.09Å; D386-R388 PolarHBondContact O-N 2.86Å | ||
| 387 | V | 37.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -70.2 | 76.9 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | P385 | P385-V387 VanDerWaalsContact C-N 3.27Å; P385-V387 PolarHBondContact O-N 2.89Å |
| 388 | R | 39.9 | Very low | 41.5 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -173.4 | 83.6 | 170.8 | -99.7 | 161.5 | -164.8 | -155 | 5.3 | 108 | D386 | D386-R388 PolarHBondContact O-N 2.86Š| ||
| 389 | K | 36 | Very low | 40.3 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 179.5 | 66.3 | 150.1 | -95.9 | 157.5 | -166.6 | -173.5 | 0 | 111.2 | I391 | K389-I391 VanDerWaalsContact C-N 3.31Å; K389-I391 PolarHBondContact O-N 2.89Å | ||
| 390 | D | 38.4 | Very low | 39.7 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -79.9 | 77.4 | 158.2 | -79.5 | -41.4 | 0 | 0 | 0 | 109.4 | ||||
| 391 | I | 47.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 151 Ų | 151 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -149.9 | 111.7 | 159.8 | -50.8 | 177.8 | 0 | 0 | 0 | 108.2 | K389 | K389-I391 VanDerWaalsContact C-N 3.31Å; K389-I391 PolarHBondContact O-N 2.89Å | ||
| 392 | P | 42.4 | Very low | 39.3 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131.3 | 174.2 | 30.3 | -29 | 0 | 0 | 0 | 110 | ||
| 393 | P | 51.1 | Low | 39.2 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 152.3 | 171.9 | 31.6 | -30.1 | 0 | 0 | 0 | 111.1 | ||
| 394 | P | 40.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160 | -175.5 | 33.3 | -34.4 | 0 | 0 | 0 | 112 | ||
| 395 | P | 36.5 | Very low | 39.3 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 129.4 | -175.2 | 33.2 | -30.6 | 0 | 0 | 0 | 109.3 | ||
| 396 | V | 49.6 | Very low | 39.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -127.5 | 110.8 | 167.6 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | V398 | V396-V398 HydrophobicContact CG1-CG2 4.12Å; V396-V398 PolarHBondContact O-N 2.89Å | ||
| 397 | E | 36.4 | Very low | 39.6 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -61.8 | 118.8 | 165.5 | -67.5 | 173 | 140.1 | 0 | 0 | 109.5 | ||||
| 398 | V | 46.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -152.5 | 114.1 | 154.6 | -164.5 | 0 | 0 | 0 | 0 | 110.8 | V396 | V396-V398 HydrophobicContact CG1-CG2 4.12Å; V396-V398 PolarHBondContact O-N 2.89Å | ||
| 399 | D | 38.4 | Very low | 39.6 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 38.9 | 118.4 | 151.8 | -62.9 | -27.7 | 0 | 0 | 0 | 122.6 | I401 | D399-I401 HydrophobicContact CB-CD1 4.41Å; D399-I401 HydrophobicContact CB-CG1 4.14Å; D399-I401 PolarHBondContact O-N 2.81Å | ||
| 400 | L | 39.2 | Very low | 39.9 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -58.9 | 97.8 | 155.5 | -66.5 | 95.1 | 0 | 0 | 0 | 110 | ||||
| 401 | I | 44.8 | Very low | 40.5 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | -119.4 | 124.2 | 164.4 | -50.8 | 176.5 | 0 | 0 | 0 | 107.8 | D399 L403 | D399-I401 HydrophobicContact CB-CD1 4.41Å; D399-I401 HydrophobicContact CB-CG1 4.14Å; D399-I401 PolarHBondContact O-N 2.81Å; I401-L403 PolarHBondContact O-N 3.42Å | ||
| 402 | Q | 32.6 | Very low | 41.1 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -46.6 | 115.1 | -179.8 | -67.8 | 162.6 | -44.6 | 0 | 0 | 112.1 | D404 | Q402-D404 VanDerWaalsContact C-N 3.34Å; Q402-D404 PolarHBondContact O-N 3.22Å | ||
| 403 | L | 39.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -98.1 | 59.8 | 167.3 | -81.6 | 160 | 0 | 0 | 0 | 109.5 | I401 | I401-L403 PolarHBondContact O-N 3.42Š| ||
| 404 | D | 31 | Very low | 44.1 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -93.3 | 81 | 162.2 | -72.6 | -29.4 | 0 | 0 | 0 | 107.7 | Q402 | Q402-D404 VanDerWaalsContact C-N 3.34Å; Q402-D404 PolarHBondContact O-N 3.22Å | ||
| 405 | A | 33.2 | Very low | 46.1 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 155.1 | 108.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 406 | E | 34.9 | Very low | 48.5 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | 154 | 17 | 154.3 | -75.4 | -117.1 | 125.8 | 0 | 0 | 113.7 | D408 K409 | E406-D408 PolarHBondContact O-N 3.12Å; E406-K409 IonicContact OE1-NZ 3.41Å; E406-K409 PolarHBondContact OE1-NZ 3.5Å; E406-K409 VanDerWaalsContact OE1-NZ 3.16Å | ||
| 407 | E | 35 | Very low | 50.2 | Low | 195 Ų | 195 | 125.7 Ų | 125.7 | 91% | 0.911 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -75.4 | -2 | 172.3 | -71.7 | -167.4 | 155.2 | 0 | 0 | 114.8 | K409 | E407-K409 PolarHBondContact O-N 2.79Š|
| 408 | D | 39.3 | Very low | 52.6 | Low | 153 Ų | 153 | 120.8 Ų | 120.8 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -90.2 | 7.8 | -170.8 | -91.9 | -26.9 | 0 | 0 | 0 | 116.4 | E406 | E406-D408 PolarHBondContact O-N 3.12Š|
| 409 | K | 37.3 | Very low | 54.4 | Low | 162 Ų | 162 | 115.6 Ų | 115.6 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -120.1 | 11.3 | -169.2 | -77 | -179.6 | -171.6 | 155.7 | 0 | 118 | E406 E407 | E406-K409 IonicContact OE1-NZ 3.41Å; E406-K409 PolarHBondContact OE1-NZ 3.5Å; E406-K409 VanDerWaalsContact OE1-NZ 3.16Å; E407-K409 PolarHBondContact O-N 2.79Å |
| 410 | T | 42.8 | Very low | 56.4 | Low | 122 Ų | 122 | 112.4 Ų | 112.4 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | trans | -129.1 | 37.4 | 173.9 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | D412 | T410-D412 PolarHBondContact O-N 2.95Š| ||
| 411 | M | 52.3 | Low | 58.5 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 51% | 0.512 | 55% | 0.55 | S | S | . | * | trans | -65.8 | 84.9 | 159.8 | -82.5 | -75.5 | -154 | 0 | 0 | 108.7 | R128 Y131 D413 | R128-M411 HydrophobicContact CG-SD 3.96Å; Y131-M411 HydrophobicContact CD1-CE 3.82Å; Y131-M411 HydrophobicContact CE1-CE 4.28Å; Y131-M411 HydrophobicContact CG-CE 3.96Å; M411-D413 PolarHBondContact O-N 2.65Å | ||
| 412 | D | 60 | Low | 60.1 | Low | 74 Ų | 74 | 104.7 Ų | 104.7 | 40% | 0.396 | 55% | 0.548 | S | S | . | . | trans | -36.1 | 129 | 172.9 | -84.8 | -42.6 | 0 | 0 | 0 | 110.5 | R128 T410 I414 | R128-D412 PolarHBondContact NH2-O 3.15Å; T410-D412 PolarHBondContact O-N 2.95Å; D412-I414 PolarHBondContact O-N 2.82Å | ||
| 413 | D | 75.5 | Confident | 62.2 | Low | 133 Ų | 133 | 105.3 Ų | 105.3 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | trans | -56.1 | 114.3 | -176.8 | -72.4 | -44.3 | 0 | 0 | 0 | 111.3 | G2 T3 M411 I415 | G2-D413 CarbonylContact C-O 3.59Å; G2-D413 WeakPolarHBondContact CA-O 3.33Å; T3-D413 PolarHBondContact N-O 3.38Å; T3-D413 VanDerWaalsContact N-O 3.13Å; M411-D413 PolarHBondContact O-N 2.65Å; D413-I415 PolarHBondContact O-N 2.96Å | ||
| 414 | I | 80 | Confident | 63.9 | Low | 18 Ų | 18 | 99.1 Ų | 99.1 | 9% | 0.092 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 119.9 | 171.3 | -68.2 | 165.7 | 0 | 0 | 0 | 108.7 | T3 V5 R128 L129 K132 D412 F416 | T3-I414 WeakPolarHBondContact O-CA 3.43Å; V5-I414 HydrophobicContact CB-CG2 4.1Å; V5-I414 HydrophobicContact CG2-CG2 3.7Å; R128-I414 HydrophobicContact CB-CD1 3.84Å; L129-I414 HydrophobicContact CD2-CD1 4.39Å; K132-I414 HydrophobicContact CB-CD1 4.4Å; K132-I414 HydrophobicContact CD-CB 3.92Å; K132-I414 HydrophobicContact CD-CD1 3.93Å; K132-I414 HydrophobicContact CD-CG1 4.48Å; K132-I414 HydrophobicContact CD-CG2 4.35Å; K132-I414 PolarHBondContact NZ-O 3.08Å; D412-I414 PolarHBondContact O-N 2.82Å; I414-F416 HydrophobicContact CG2-CD1 4.14Å; I414-F416 HydrophobicContact CG2-CE1 3.81Å; I414-F416 HydrophobicContact CG2-CE2 4.39Å; I414-F416 HydrophobicContact CG2-CZ 3.95Å |
| 415 | I | 84.2 | Confident | 65.7 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 42% | 0.415 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.9 | 175.6 | -58.7 | 172.2 | 0 | 0 | 0 | 108.2 | T3 R4 V5 D413 E417 | T3-I415 PolarHBondContact O-N 3.25Å; R4-I415 WeakPolarHBondContact CA-O 3.35Å; V5-I415 PolarHBondContact N-O 3.23Å; D413-I415 PolarHBondContact O-N 2.96Å; I415-E417 HydrophobicContact CG2-CG 4.43Å |
| 416 | F | 85.7 | Confident | 66.7 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 26% | 0.259 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.5 | 177.3 | -65.5 | -65.1 | 0 | 0 | 0 | 111.2 | V5 K7 Y44 L129 K132 L133 I414 | V5-F416 HydrophobicContact CB-CD1 4.04Å; V5-F416 HydrophobicContact CB-CE1 4.27Å; V5-F416 HydrophobicContact CG1-CD1 4.22Å; V5-F416 HydrophobicContact CG1-CE1 4.25Å; V5-F416 CarbonylContact O-C 3.56Å; V5-F416 WeakPolarHBondContact O-CA 3.26Å; K7-F416 HydrophobicContact CD-CB 4.07Å; K7-F416 HydrophobicContact CD-CD1 4.48Å; K7-F416 HydrophobicContact CD-CG 4.37Å; Y44-F416 AromaticContact CD1-CD1 3.95Å; Y44-F416 HydrophobicContact CD1-CD1 3.95Å; Y44-F416 AromaticContact CD1-CE1 3.65Å; Y44-F416 HydrophobicContact CD1-CE1 3.65Å; Y44-F416 AromaticContact CE1-CD1 3.8Å; Y44-F416 HydrophobicContact CE1-CD1 3.8Å; Y44-F416 AromaticContact CE1-CE1 3.5Å; Y44-F416 HydrophobicContact CE1-CE1 3.5Å; Y44-F416 VanDerWaalsContact CE1-CE1 3.5Å; Y44-F416 HydrophobicContact CE1-CZ 4.16Å; L129-F416 HydrophobicContact CD2-CE1 3.75Å; L129-F416 HydrophobicContact CD2-CZ 4.2Å; K132-F416 HydrophobicContact CD-CE2 3.88Å; K132-F416 HydrophobicContact CD-CZ 3.87Å; K132-F416 HydrophobicContact CG-CZ 4.44Å; L133-F416 HydrophobicContact CD2-CZ 3.94Å; I414-F416 HydrophobicContact CG2-CD1 4.14Å; I414-F416 HydrophobicContact CG2-CE1 3.81Å; I414-F416 HydrophobicContact CG2-CE2 4.39Å; I414-F416 HydrophobicContact CG2-CZ 3.95Å |
| 417 | E | 86.1 | Confident | 66.9 | Low | 55 Ų | 55 | 103.5 Ų | 103.5 | 26% | 0.257 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.1 | 176.1 | -66.2 | -176.2 | -177.4 | 0 | 0 | 110.5 | R4 V5 F6 K7 I415 | R4-E417 WeakPolarHBondContact CD-OE1 3.37Å; R4-E417 IonicContact CZ-OE1 3.47Å; R4-E417 IonicContact NE-OE1 3.79Å; R4-E417 PolarHBondContact NE-OE1 2.89Å; R4-E417 IonicContact NH1-OE1 3.93Å; V5-E417 PolarHBondContact O-N 2.69Å; F6-E417 CarbonylContact C-O 3.57Å; F6-E417 WeakPolarHBondContact CA-O 3.3Å; F6-E417 HydrophobicContact CD1-CB 3.94Å; F6-E417 HydrophobicContact CE1-CB 4.1Å; F6-E417 WeakPolarHBondContact CE1-OE2 3.46Å; K7-E417 PolarHBondContact N-O 3.34Å; I415-E417 HydrophobicContact CG2-CG 4.43Å |
| 418 | D | 86 | Confident | 66.8 | Low | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.9 | 144.1 | 169.8 | -163.7 | -44.7 | 0 | 0 | 0 | 108.7 | R48 A420 | R48-D418 PolarHBondContact NH2-O 3.13Å; D418-A420 PolarHBondContact O-N 3.23Å; D418-A420 PolarHBondContact OD1-N 3.19Å |
| 419 | F | 84.6 | Confident | 68.2 | Low | 11 Ų | 11 | 98.9 Ų | 98.9 | 5% | 0.048 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -67.1 | -20.5 | 173.9 | -170 | -89.9 | 0 | 0 | 0 | 113.2 | F6 K7 K8 L45 R48 L191 A192 I193 R421 | F6-F419 HydrophobicContact CB-CB 4.25Å; F6-F419 HydrophobicContact CB-CD2 3.71Å; F6-F419 HydrophobicContact CB-CG 4.43Å; F6-F419 HydrophobicContact CG-CD2 4.36Å; K7-F419 PolarHBondContact O-N 2.95Å; K7-F419 VanDerWaalsContact O-N 3.16Å; K8-F419 HydrophobicContact CB-CB 4.42Å; L45-F419 HydrophobicContact CD1-CD2 4.39Å; L45-F419 HydrophobicContact CD1-CE2 3.77Å; R48-F419 HydrophobicContact CB-CE2 4.06Å; R48-F419 HydrophobicContact CB-CZ 4.09Å; R48-F419 HydrophobicContact CG-CD2 4.02Å; R48-F419 HydrophobicContact CG-CE2 3.61Å; R48-F419 HydrophobicContact CG-CZ 4Å; R48-F419 PolarHBondContact NE-O 2.54Å; R48-F419 PolarHBondContact NH2-O 3.02Å; L191-F419 HydrophobicContact CB-CD1 4.15Å; L191-F419 HydrophobicContact CB-CD2 4.46Å; L191-F419 HydrophobicContact CB-CE1 3.85Å; L191-F419 HydrophobicContact CB-CE2 4.17Å; L191-F419 HydrophobicContact CB-CG 4.47Å; L191-F419 HydrophobicContact CB-CZ 3.87Å; L191-F419 HydrophobicContact CD1-CD2 4.44Å; L191-F419 HydrophobicContact CD2-CB 3.67Å; L191-F419 HydrophobicContact CD2-CD1 3.57Å; L191-F419 HydrophobicContact CD2-CD2 3.84Å; L191-F419 HydrophobicContact CD2-CE1 4.16Å; L191-F419 HydrophobicContact CD2-CE2 4.38Å; L191-F419 HydrophobicContact CD2-CG 3.41Å; L191-F419 VanDerWaalsContact CD2-CG 3.41Å; L191-F419 HydrophobicContact CG-CD1 4.47Å; L191-F419 HydrophobicContact CG-CD2 4.49Å; L191-F419 HydrophobicContact CG-CG 4.43Å; A192-F419 WeakPolarHBondContact O-CE1 3.18Å; A192-F419 WeakPolarHBondContact O-CZ 3.36Å; I193-F419 HydrophobicContact CG2-CE2 4.24Å; I193-F419 HydrophobicContact CG2-CZ 3.8Å; F419-R421 PolarHBondContact O-N 2.92Å |
| 420 | A | 80.5 | Confident | 69.8 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -55.8 | 127.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R48 D418 | R48-A420 PolarHBondContact NH2-O 3.08Å; D418-A420 PolarHBondContact O-N 3.23Å; D418-A420 PolarHBondContact OD1-N 3.19Å |
| 421 | R | 82.9 | Confident | 71.3 | Confident | 30 Ų | 30 | 94.1 Ų | 94.1 | 11% | 0.113 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -74 | 145.1 | 176.7 | -66.7 | 178.9 | -176.4 | -165.9 | -1.1 | 111 | D49 R194 H323 D325 F419 R423 | D49-R421 IonicContact OD1-CZ 3.31Å; D49-R421 IonicContact OD1-NH2 3.35Å; D49-R421 PolarHBondContact OD1-NH2 3.06Å; R194-R421 VanDerWaalsContact CG-NH2 3.27Å; R194-R421 VanDerWaalsContact NE-CZ 3.31Å; H323-R421 HydrophobicContact CB-CB 4.26Å; H323-R421 WeakPolarHBondContact ND1-CD 3.2Å; D325-R421 IonicContact OD1-NH1 2.7Å; D325-R421 PolarHBondContact OD1-NH1 2.88Å; D325-R421 WeakPolarHBondContact OD2-CD 3.31Å; D325-R421 IonicContact OD2-CZ 3.2Å; D325-R421 IonicContact OD2-NE 3.15Å; D325-R421 IonicContact OD2-NH1 3.33Å; F419-R421 PolarHBondContact O-N 2.92Å; R421-R423 PolarHBondContact O-N 2.73Å |
| 422 | L | 79.4 | Confident | 72.4 | Confident | 125 Ų | 125 | 93.5 Ų | 93.5 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 133.9 | 171.9 | -67.2 | 174.1 | 0 | 0 | 0 | 109.1 | H323 E324 | H323-L422 WeakPolarHBondContact CA-O 3.3Å; E324-L422 HydrophobicContact CB-CB 4.45Å; E324-L422 PolarHBondContact N-O 3.22Å; E324-L422 VanDerWaalsContact N-O 3.07Å |
| 423 | R | 76.3 | Confident | 73.2 | Confident | 190 Ų | 190 | 94.8 Ų | 94.8 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | B | Isolated β-bridge | trans | -88.8 | 139.7 | 177 | -65.5 | -175.4 | -174.1 | 176.4 | 2.8 | 109 | K322 R421 R425 | K322-R423 CarbonylContact O-C 3.58Å; K322-R423 WeakPolarHBondContact O-CA 3.44Å; R421-R423 PolarHBondContact O-N 2.73Å; R423-R425 PolarHBondContact O-N 3.39Å |
| 424 | V | 74.8 | Confident | 73 | Confident | 37 Ų | 37 | 92.2 Ų | 92.2 | 22% | 0.224 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 131.8 | 167.6 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | K322 E324 G426 | K322-V424 PolarHBondContact O-N 3.47Å; E324-V424 HydrophobicContact CB-CG2 4.33Å; V424-G426 PolarHBondContact O-N 2.86Å |
| 425 | R | 69.4 | Low | 72.5 | Confident | 233 Ų | 233 | 97.5 Ų | 97.5 | 88% | 0.879 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.9 | 169.8 | -66.7 | -176.7 | 179.4 | -171.4 | -0.4 | 107.2 | R423 D427 | R423-R425 PolarHBondContact O-N 3.39Å; R425-D427 PolarHBondContact O-N 3.28Å |
| 426 | G | 53.6 | Low | 71.6 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 75% | 0.753 | 57% | 0.567 | S | S | * | * | trans | -67.5 | 113.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V424 | V424-G426 PolarHBondContact O-N 2.86Š| ||
| 427 | D | 40.2 | Very low | 70.5 | Confident | 166 Ų | 166 | 102.1 Ų | 102.1 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | trans | -74.8 | 123 | 147 | -74.2 | -26.4 | 0 | 0 | 0 | 105.5 | R425 | R425-D427 PolarHBondContact O-N 3.28Š| ||
| 428 | G | 31.9 | Very low | 69.1 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 100% | 1.577 | 62% | 0.623 | S | S | * | * | trans | -63.1 | 0 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 |
Retrieved 428 of 428 residues in 262.1 ms
(Link to these results)