DNJA2_HUMAN Loading...

DnaJ homolog subfamily A member 2

Co-chaperone of Hsc70. Stimulates ATP hydrolysis and the folding of unfolded proteins mediated by HSPA1A/B (in vitro)1.

AlphaFold DB , UniProt , Accession O60884, Species HUMAN (Homo sapiens, Human), Gene DNAJA2, Length 412 aa.

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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
1M48Very low79.2Confident230 Ų23078.9 Ų78.9100%1.13345%0.445SS*.  0126.20-71.9166.9174.200106.2N3M1-N3 PolarHBondContact O-N 3.15Å
2A58.1Low80.1Confident65 Ų6576 Ų7654%0.53743%0.427SS..  trans-63.3122.2175.500000107.6V4A2-V4 WeakPolarHBondContact O-CG2 3.18Å; A2-V4 PolarHBondContact O-N 3.15Å; A2-V4 VanDerWaalsContact O-N 3.14Å
3N70.9Confident81Confident167 Ų16770.5 Ų70.589%0.89340%0.396SS*.  trans-77.998.8-180-79.8-12.9000108.3M1M1-N3 PolarHBondContact O-N 3.15Å
4V78.9Confident81.7Confident32 Ų3270.4 Ų70.419%0.19442%0.418CS..  trans-105.3144.7175.2-139.70000108.5A2 D6 Y10 P17 D67A2-V4 WeakPolarHBondContact O-CG2 3.18Å; A2-V4 PolarHBondContact O-N 3.15Å; A2-V4 VanDerWaalsContact O-N 3.14Å; V4-D6 VanDerWaalsContact C-N 3.34Å; V4-Y10 HydrophobicContact CG1-CE2 3.94Å; V4-P17 HydrophobicContact CB-CB 4.49Å; V4-P17 HydrophobicContact CG2-CB 3.19Å; V4-P17 HydrophobicContact CG2-CG 3.56Å; V4-D67 HydrophobicContact CG1-CB 3.87Å; V4-D67 VanDerWaalsContact CG1-OD1 3.23Å; V4-D67 WeakPolarHBondContact CG1-OD1 3.46Å
5A77.4Confident82.4Confident64 Ų6466.7 Ų66.753%0.52940%0.396SS..SBendtrans-68.5-32.1173.200000113D67A5-D67 PolarHBondContact N-O 2.98Å
6D84.3Confident82.9Confident45 Ų4567.8 Ų67.824%0.24141%0.406CS..  trans-148.4131.5-176.5-168.2-16.9000111.3V4 K8 Y66V4-D6 VanDerWaalsContact C-N 3.34Å; D6-K8 WeakPolarHBondContact OD1-CB 3.33Å; D6-K8 PolarHBondContact OD1-N 3.26Å; D6-Y66 HydrophobicContact CB-CE2 4.08Å; D6-Y66 WeakPolarHBondContact O-CE1 3.48Å; D6-Y66 PolarHBondContact O-OH 3.35Å; D6-Y66 PolarHBondContact OD1-OH 2.75Å
7T88.2Confident83.2Confident62 Ų6265.6 Ų65.638%0.3839%0.394SS..  trans-96.2-7.217961.40000114L9 Y10 D11 P17T7-L9 PolarHBondContact O-N 2.7Å; T7-Y10 WeakPolarHBondContact O-CA 3.48Å; T7-Y10 WeakPolarHBondContact O-CB 3.46Å; T7-Y10 PolarHBondContact O-N 2.66Å; T7-D11 WeakPolarHBondContact CB-OD2 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.25Å; T7-D11 PolarHBondContact O-N 3.16Å; T7-D11 PolarHBondContact OG1-OD2 3.22Å; T7-P17 HydrophobicContact CG2-CG 3.98Å
8K90.3Very high83.4Confident97 Ų9765.2 Ų65.242%0.42241%0.405SS..Hα-helixtrans-52-47.1-170.5-174.3179.3171.7-166.60114.7D6 Y10 D11 I12 Y66 E71D6-K8 WeakPolarHBondContact OD1-CB 3.33Å; D6-K8 PolarHBondContact OD1-N 3.26Å; K8-Y10 VanDerWaalsContact C-N 3.33Å; K8-Y10 PolarHBondContact O-N 3.48Å; K8-D11 PolarHBondContact O-N 3.31Å; K8-I12 HydrophobicContact CG-CD1 4.35Å; K8-I12 VanDerWaalsContact O-CG1 3.31Å; K8-I12 WeakPolarHBondContact O-CG1 3.2Å; K8-I12 PolarHBondContact O-N 2.94Å; K8-Y66 PolarHBondContact N-OH 3.33Å; K8-Y66 VanDerWaalsContact N-OH 3.13Å; K8-E71 IonicContact NZ-OE1 3.55Å; K8-E71 IonicContact NZ-OE2 2.75Å; K8-E71 PolarHBondContact NZ-OE2 3.28Å
9L90.7Very high83.6Confident3 Ų361.9 Ų61.92%0.01639%0.385CS..Hα-helixtrans-68-32.8178.7-60.8-175.3000112.9T7 I12 L13 F52 A53 V56 L57 Y66 L74T7-L9 PolarHBondContact O-N 2.7Å; L9-I12 HydrophobicContact CD2-CD1 4.2Å; L9-L13 PolarHBondContact O-N 3.36Å; L9-F52 HydrophobicContact CD2-CD1 3.95Å; L9-F52 HydrophobicContact CD2-CE1 4.01Å; L9-A53 HydrophobicContact CB-CB 4.12Å; L9-A53 HydrophobicContact CD2-CB 4.04Å; L9-V56 HydrophobicContact CD1-CB 3.75Å; L9-V56 HydrophobicContact CD1-CG1 3.53Å; L9-V56 HydrophobicContact CD1-CG2 4.17Å; L9-L57 HydrophobicContact CB-CD1 3.85Å; L9-L57 HydrophobicContact CB-CD2 4.44Å; L9-L57 HydrophobicContact CB-CG 4.14Å; L9-Y66 HydrophobicContact CB-CE1 3.88Å; L9-Y66 HydrophobicContact CB-CE2 4.37Å; L9-Y66 HydrophobicContact CD1-CD1 4.11Å; L9-Y66 HydrophobicContact CD1-CD2 3.67Å; L9-Y66 HydrophobicContact CD1-CE1 4.01Å; L9-Y66 HydrophobicContact CD1-CE2 3.53Å; L9-Y66 HydrophobicContact CD1-CG 3.94Å; L9-Y66 HydrophobicContact CG-CD2 4.28Å; L9-Y66 HydrophobicContact CG-CE1 4.03Å; L9-Y66 HydrophobicContact CG-CE2 3.61Å; L9-Y66 VanDerWaalsContact CG-CZ 3.48Å; L9-Y66 PolarHBondContact N-OH 2.98Å; L9-L74 HydrophobicContact CD1-CD1 4.45Å
10Y92.7Very high83.9Confident0 Ų061.4 Ų61.40%038%0.384CS..Hα-helixtrans-69.6-40174.5-67.2-75.4000111V4 T7 K8 L13 G14 V15 P17 L57 R63 Y66 D67V4-Y10 HydrophobicContact CG1-CE2 3.94Å; T7-Y10 WeakPolarHBondContact O-CA 3.48Å; T7-Y10 WeakPolarHBondContact O-CB 3.46Å; T7-Y10 PolarHBondContact O-N 2.66Å; K8-Y10 VanDerWaalsContact C-N 3.33Å; K8-Y10 PolarHBondContact O-N 3.48Å; Y10-L13 CarbonylContact O-C 3.25Å; Y10-L13 PolarHBondContact O-N 3.32Å; Y10-G14 PolarHBondContact O-N 3.07Å; Y10-V15 CarbonylContact C-O 3.58Å; Y10-V15 WeakPolarHBondContact CB-O 3.35Å; Y10-V15 HydrophobicContact CD1-CG2 4.02Å; Y10-V15 PolarHBondContact O-N 3.3Å; Y10-P17 HydrophobicContact CD1-CB 4.45Å; Y10-P17 HydrophobicContact CD2-CB 4.01Å; Y10-P17 HydrophobicContact CD2-CG 4.13Å; Y10-P17 HydrophobicContact CE1-CB 4.46Å; Y10-P17 HydrophobicContact CE2-CB 4.03Å; Y10-P17 HydrophobicContact CG-CB 4.21Å; Y10-P17 HydrophobicContact CG-CG 4.23Å; Y10-L57 HydrophobicContact CD1-CD1 3.68Å; Y10-L57 HydrophobicContact CD1-CD2 4.25Å; Y10-L57 HydrophobicContact CD2-CD2 4.39Å; Y10-L57 HydrophobicContact CE1-CD1 3.87Å; Y10-L57 HydrophobicContact CE1-CD2 3.67Å; Y10-L57 HydrophobicContact CE1-CG 4.34Å; Y10-L57 HydrophobicContact CE2-CD2 3.81Å; Y10-L57 HydrophobicContact CG-CD1 4.08Å; Y10-L57 VanDerWaalsContact CZ-CD2 3.44Å; Y10-R63 PolarHBondContact OH-NE 3.33Å; Y10-R63 PolarHBondContact OH-NH2 3.41Å; Y10-Y66 AromaticContact CD2-CE1 3.94Å; Y10-Y66 HydrophobicContact CD2-CE1 3.94Å; Y10-Y66 HydrophobicContact CE2-CD1 4.06Å; Y10-Y66 AromaticContact CE2-CE1 3.77Å; Y10-Y66 HydrophobicContact CE2-CE1 3.77Å; Y10-D67 VanDerWaalsContact CE2-OD1 3.26Å; Y10-D67 WeakPolarHBondContact CE2-OD1 3.34Å; Y10-D67 VanDerWaalsContact OH-CG 3.27Å; Y10-D67 PolarHBondContact OH-OD1 2.79Å; Y10-D67 PolarHBondContact OH-OD2 3.04Å
11D91.4Very high84.1Confident103 Ų10364.4 Ų64.455%0.55139%0.393SS*.Hα-helixtrans-65.5-39.1177.2-62.2-33.1000111.7T7 K8 L13 G14T7-D11 WeakPolarHBondContact CB-OD2 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.25Å; T7-D11 PolarHBondContact O-N 3.16Å; T7-D11 PolarHBondContact OG1-OD2 3.22Å; K8-D11 PolarHBondContact O-N 3.31Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.17Å; D11-G14 PolarHBondContact O-N 3.33Å
12I90.4Very high86Confident44 Ų4459.5 Ų59.523%0.22637%0.371CS..Hα-helixtrans-60.1-41.3174.2-71164.8000111.4K8 L9 G14 L31 E49 I50 A53K8-I12 HydrophobicContact CG-CD1 4.35Å; K8-I12 VanDerWaalsContact O-CG1 3.31Å; K8-I12 WeakPolarHBondContact O-CG1 3.2Å; K8-I12 PolarHBondContact O-N 2.94Å; L9-I12 HydrophobicContact CD2-CD1 4.2Å; I12-G14 VanDerWaalsContact C-N 3.29Å; I12-L31 WeakPolarHBondContact O-CD1 3.26Å; I12-E49 HydrophobicContact CD1-CB 4.45Å; I12-E49 HydrophobicContact CG2-CB 4.27Å; I12-I50 HydrophobicContact CG2-CG1 4.14Å; I12-A53 HydrophobicContact CB-CB 4.16Å; I12-A53 HydrophobicContact CG2-CB 3.9Å
13L91.6Very high87.6Confident5 Ų561 Ų613%0.02637%0.367CS..Hα-helixtrans-80.8-9.7175.7-68-178.1000113L9 Y10 D11 V15 L24 A27 L31 I50 A53 L57L9-L13 PolarHBondContact O-N 3.36Å; Y10-L13 CarbonylContact O-C 3.25Å; Y10-L13 PolarHBondContact O-N 3.32Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.17Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 HydrophobicContact CB-CG2 3.96Å; L13-L24 HydrophobicContact CD1-CD2 3.62Å; L13-A27 HydrophobicContact CB-CB 4.47Å; L13-A27 WeakPolarHBondContact O-CB 3.37Å; L13-L31 HydrophobicContact CD2-CD1 4.21Å; L13-I50 HydrophobicContact CD2-CG2 4.04Å; L13-A53 HydrophobicContact CD1-CB 4.3Å; L13-A53 HydrophobicContact CD2-CB 4.29Å; L13-A53 HydrophobicContact CG-CB 3.9Å; L13-L57 HydrophobicContact CD1-CD1 3.9Å
14G90.8Very high88.6Confident68 Ų6853 Ų5370%0.70133%0.325SS*.THydrogen-bonded Turntrans65.333.4-176.800000113.2Y10 D11 I12Y10-G14 PolarHBondContact O-N 3.07Å; D11-G14 PolarHBondContact O-N 3.33Å; I12-G14 VanDerWaalsContact C-N 3.29Å
15V92.4Very high89.2Confident16 Ų1656 Ų5610%0.09734%0.335CS..  trans-118.6151.9178.8-65.30000110.9Y10 L13 A19 L24 A27Y10-V15 CarbonylContact C-O 3.58Å; Y10-V15 WeakPolarHBondContact CB-O 3.35Å; Y10-V15 HydrophobicContact CD1-CG2 4.02Å; Y10-V15 PolarHBondContact O-N 3.3Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 HydrophobicContact CB-CG2 3.96Å; V15-A19 HydrophobicContact CB-CB 3.77Å; V15-A19 HydrophobicContact CG1-CB 4.45Å; V15-A19 HydrophobicContact CG2-CB 3.99Å; V15-L24 HydrophobicContact CG2-CD2 3.68Å; V15-A27 HydrophobicContact CG1-CB 3.51Å
16P91.3Very high89.9Confident84 Ų8460.6 Ų60.655%0.54534%0.343SS..  trans-71.3155.5173.129.9-34.7000110.8G18 A19P16-G18 PolarHBondContact O-N 3.24Å; P16-A19 HydrophobicContact CG-CB 4.48Å; P16-A19 WeakPolarHBondContact O-CB 3.38Å; P16-A19 PolarHBondContact O-N 3.14Å
17P88Confident90.3Very high31 Ų3159.2 Ų59.220%0.20134%0.338CS..THydrogen-bonded Turntrans-59.8-20179.4-27.134.6000116.5V4 T7 Y10 A19 R63V4-P17 HydrophobicContact CB-CB 4.49Å; V4-P17 HydrophobicContact CG2-CB 3.19Å; V4-P17 HydrophobicContact CG2-CG 3.56Å; T7-P17 HydrophobicContact CG2-CG 3.98Å; Y10-P17 HydrophobicContact CD1-CB 4.45Å; Y10-P17 HydrophobicContact CD2-CB 4.01Å; Y10-P17 HydrophobicContact CD2-CG 4.13Å; Y10-P17 HydrophobicContact CE1-CB 4.46Å; Y10-P17 HydrophobicContact CE2-CB 4.03Å; Y10-P17 HydrophobicContact CG-CB 4.21Å; Y10-P17 HydrophobicContact CG-CG 4.23Å; P17-A19 VanDerWaalsContact C-N 3.28Å; P17-A19 PolarHBondContact O-N 3.46Å; P17-R63 PolarHBondContact O-NH2 3.21Å
18G85.5Confident90.5Very high58 Ų5859 Ų5960%0.59833%0.331SS*.THydrogen-bonded Turntrans-83.87.5172.700000114.8P16 S20P16-G18 PolarHBondContact O-N 3.24Å; G18-S20 PolarHBondContact O-N 3.26Å
19A88.1Confident90.6Very high2 Ų261.7 Ų61.72%0.01734%0.338CS..  trans-62134-174.700000112.2V15 P16 P17 E23 L24 R63V15-A19 HydrophobicContact CB-CB 3.77Å; V15-A19 HydrophobicContact CG1-CB 4.45Å; V15-A19 HydrophobicContact CG2-CB 3.99Å; P16-A19 HydrophobicContact CG-CB 4.48Å; P16-A19 WeakPolarHBondContact O-CB 3.38Å; P16-A19 PolarHBondContact O-N 3.14Å; P17-A19 VanDerWaalsContact C-N 3.28Å; P17-A19 PolarHBondContact O-N 3.46Å; A19-E23 WeakPolarHBondContact CA-OE2 3.28Å; A19-E23 HydrophobicContact CB-CB 4.09Å; A19-L24 HydrophobicContact CB-CG 4.44Å; A19-R63 PolarHBondContact O-NH1 3.03Å; A19-R63 PolarHBondContact O-NH2 2.91Å
20S89.1Confident90.7Very high52 Ų5268.7 Ų68.736%0.36437%0.369SS..  trans-65.7159.3172.962.90000111.4G18 N22 E23 L24G18-S20 PolarHBondContact O-N 3.26Å; S20-N22 PolarHBondContact O-N 3.13Å; S20-E23 PolarHBondContact N-OE2 2.93Å; S20-E23 PolarHBondContact O-N 3.44Å; S20-E23 WeakPolarHBondContact OG-CG 3.37Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 2.91Å; S20-L24 PolarHBondContact O-N 3.22Å
21E88Confident90.6Very high124 Ų12470.1 Ų70.158%0.57938%0.376SS*.Hα-helixtrans-55.5-34.9175.5-166.9-172.6161.600112.1L24 K25E21-L24 PolarHBondContact O-N 3.49Å; E21-K25 WeakPolarHBondContact O-CB 3.39Å; E21-K25 PolarHBondContact O-N 2.95Å
22N88.8Confident90.6Very high128 Ų12866 Ų6668%0.68436%0.356SS*.Hα-helixtrans-65.8-39.3176-74.5-35.5000112.8S20 K26S20-N22 PolarHBondContact O-N 3.13Å; N22-K26 WeakPolarHBondContact O-CB 3.5Å; N22-K26 PolarHBondContact O-N 3.06Å
23E91.4Very high90.5Very high96 Ų9670.9 Ų70.945%0.44938%0.376SS..Hα-helixtrans-69-43.2176.2-73.8165.714500111.2A19 S20 K25 K26 A27A19-E23 WeakPolarHBondContact CA-OE2 3.28Å; A19-E23 HydrophobicContact CB-CB 4.09Å; S20-E23 PolarHBondContact N-OE2 2.93Å; S20-E23 PolarHBondContact O-N 3.44Å; S20-E23 WeakPolarHBondContact OG-CG 3.37Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 2.91Å; E23-K25 VanDerWaalsContact C-N 3.35Å; E23-K25 PolarHBondContact O-N 3.06Å; E23-K26 PolarHBondContact O-N 3.02Å; E23-K26 VanDerWaalsContact O-N 3.17Å; E23-A27 WeakPolarHBondContact O-CB 3.22Å; E23-A27 PolarHBondContact O-N 3.48Å
24L91.8Very high90.3Very high0 Ų075.4 Ų75.40%040%0.396CS..Hα-helixtrans-56.6-48173-73.4169.8000111.4L13 V15 A19 S20 E21 K26 A27 Y28 Y54 L57 R63L13-L24 HydrophobicContact CD1-CD2 3.62Å; V15-L24 HydrophobicContact CG2-CD2 3.68Å; A19-L24 HydrophobicContact CB-CG 4.44Å; S20-L24 PolarHBondContact O-N 3.22Å; E21-L24 PolarHBondContact O-N 3.49Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 2.6Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-Y28 WeakPolarHBondContact O-CB 3.29Å; L24-Y28 PolarHBondContact O-N 3.27Å; L24-Y54 HydrophobicContact CB-CD2 4.49Å; L24-Y54 HydrophobicContact CB-CE2 4.37Å; L24-L57 HydrophobicContact CD1-CB 3.93Å; L24-L57 WeakPolarHBondContact CD1-O 3.2Å; L24-L57 HydrophobicContact CD2-CB 3.9Å; L24-L57 HydrophobicContact CD2-CD1 3.9Å; L24-R63 VanDerWaalsContact CD1-NH1 3.27Å
25K90.6Very high90.2Very high93 Ų9374.3 Ų74.340%0.40437%0.371SS..Hα-helixtrans-67.5-28.4179.1-168.8173.8-176.6171.90113E21 E23 R29 Y54E21-K25 WeakPolarHBondContact O-CB 3.39Å; E21-K25 PolarHBondContact O-N 2.95Å; E23-K25 VanDerWaalsContact C-N 3.35Å; E23-K25 PolarHBondContact O-N 3.06Å; K25-R29 WeakPolarHBondContact O-CB 3.31Å; K25-R29 WeakPolarHBondContact O-CG 3.26Å; K25-R29 PolarHBondContact O-N 3.09Å; K25-R29 PolarHBondContact O-NE 3.06Å; K25-R29 VanDerWaalsContact O-NE 3.15Å; K25-Y54 HydrophobicContact CB-CE2 4.18Å
26K92.3Very high89.8Confident161 Ų16177.5 Ų77.570%0.739%0.385SS*.Hα-helixtrans-76.4-43.3175.6-170179-179-176.60111N22 E23 L24 R29 K30N22-K26 WeakPolarHBondContact O-CB 3.5Å; N22-K26 PolarHBondContact O-N 3.06Å; E23-K26 PolarHBondContact O-N 3.02Å; E23-K26 VanDerWaalsContact O-N 3.17Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 2.6Å; K26-R29 PolarHBondContact O-N 3.29Å; K26-K30 PolarHBondContact O-N 2.83Å; K26-K30 VanDerWaalsContact O-N 3.07Å
27A93.3Very high89.3Confident17 Ų1776.6 Ų76.614%0.1438%0.379CS..Hα-helixtrans-62.6-49.1175.700000111.6L13 V15 E23 L24 R29 K30 L31L13-A27 HydrophobicContact CB-CB 4.47Å; L13-A27 WeakPolarHBondContact O-CB 3.37Å; V15-A27 HydrophobicContact CG1-CB 3.51Å; E23-A27 WeakPolarHBondContact O-CB 3.22Å; E23-A27 PolarHBondContact O-N 3.48Å; L24-A27 PolarHBondContact O-N 3.4Å; A27-R29 PolarHBondContact O-N 3.36Å; A27-K30 WeakPolarHBondContact O-CB 3.37Å; A27-K30 PolarHBondContact O-N 3.19Å; A27-K30 VanDerWaalsContact O-N 3.14Å; A27-L31 PolarHBondContact O-N 3.28Å
28Y93.1Very high89.2Confident57 Ų5781.7 Ų81.722%0.22441%0.405CS..Hα-helixtrans-57-47.4174.9174.9-108000111.9L24 K30 L31 A32 I50 Y54L24-Y28 WeakPolarHBondContact O-CB 3.29Å; L24-Y28 PolarHBondContact O-N 3.27Å; Y28-K30 VanDerWaalsContact C-N 3.29Å; Y28-K30 PolarHBondContact O-N 3.3Å; Y28-L31 PolarHBondContact O-N 3.16Å; Y28-A32 HydrophobicContact CE1-CB 4.38Å; Y28-A32 HydrophobicContact CE2-CB 4.19Å; Y28-A32 WeakPolarHBondContact O-CB 3.41Å; Y28-A32 PolarHBondContact O-N 2.94Å; Y28-I50 HydrophobicContact CD2-CG2 3.71Å; Y28-I50 HydrophobicContact CE2-CG2 4.03Å; Y28-Y54 VanDerWaalsContact CB-CD2 3.41Å; Y28-Y54 AromaticContact CD1-CD1 3.72Å; Y28-Y54 HydrophobicContact CD1-CD1 3.72Å; Y28-Y54 HydrophobicContact CD1-CD2 4.27Å; Y28-Y54 AromaticContact CD1-CE1 3.86Å; Y28-Y54 HydrophobicContact CD1-CE1 3.86Å; Y28-Y54 HydrophobicContact CD1-CE2 4.38Å; Y28-Y54 AromaticContact CD1-CG 3.93Å; Y28-Y54 HydrophobicContact CD1-CG 3.93Å; Y28-Y54 VanDerWaalsContact CD2-CB 3.42Å; Y28-Y54 AromaticContact CD2-CD1 3.96Å; Y28-Y54 HydrophobicContact CD2-CD1 3.96Å; Y28-Y54 HydrophobicContact CD2-CD2 4.3Å; Y28-Y54 AromaticContact CD2-CG 3.63Å; Y28-Y54 HydrophobicContact CD2-CG 3.63Å; Y28-Y54 AromaticContact CE1-CD1 3.95Å; Y28-Y54 HydrophobicContact CE1-CD1 3.95Å; Y28-Y54 HydrophobicContact CE1-CE1 4.16Å; Y28-Y54 HydrophobicContact CE2-CD1 4.19Å; Y28-Y54 HydrophobicContact CE2-CG 4.26Å; Y28-Y54 AromaticContact CG-CD1 3.72Å; Y28-Y54 HydrophobicContact CG-CD1 3.72Å; Y28-Y54 AromaticContact CG-CD2 3.74Å; Y28-Y54 HydrophobicContact CG-CD2 3.74Å; Y28-Y54 HydrophobicContact CG-CE1 4.24Å; Y28-Y54 HydrophobicContact CG-CE2 4.25Å; Y28-Y54 AromaticContact CG-CG 3.44Å; Y28-Y54 HydrophobicContact CG-CG 3.44Å; Y28-Y54 VanDerWaalsContact CG-CG 3.44Å
29R91.2Very high89Confident153 Ų15385.1 Ų85.158%0.57740%0.403SS*.Hα-helixtrans-61.5-35.4177.7-83.8-174.6-83.4178.4-7.4113.5K25 K26 A27 K33K25-R29 WeakPolarHBondContact O-CB 3.31Å; K25-R29 WeakPolarHBondContact O-CG 3.26Å; K25-R29 PolarHBondContact O-N 3.09Å; K25-R29 PolarHBondContact O-NE 3.06Å; K25-R29 VanDerWaalsContact O-NE 3.15Å; K26-R29 PolarHBondContact O-N 3.29Å; A27-R29 PolarHBondContact O-N 3.36Å; R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 2.81Å
30K92.7Very high88.5Confident151 Ų15188.3 Ų88.366%0.65742%0.42SS*.Hα-helixtrans-66.7-52.4176.6-175.3-174.3173.5-168.20110.4K26 A27 Y28 K33 E34K26-K30 PolarHBondContact O-N 2.83Å; K26-K30 VanDerWaalsContact O-N 3.07Å; A27-K30 WeakPolarHBondContact O-CB 3.37Å; A27-K30 PolarHBondContact O-N 3.19Å; A27-K30 VanDerWaalsContact O-N 3.14Å; Y28-K30 VanDerWaalsContact C-N 3.29Å; Y28-K30 PolarHBondContact O-N 3.3Å; K30-K33 PolarHBondContact O-N 3.35Å; K30-E34 PolarHBondContact O-N 3.49Å
31L91.7Very high87.8Confident30 Ų3090.5 Ų90.516%0.15743%0.433CS..Hα-helixtrans-68.3-41-177.9-68.7172.1000112.3I12 L13 A27 Y28 K33 E34 Y35 I50I12-L31 WeakPolarHBondContact O-CD1 3.26Å; L13-L31 HydrophobicContact CD2-CD1 4.21Å; A27-L31 PolarHBondContact O-N 3.28Å; Y28-L31 PolarHBondContact O-N 3.16Å; L31-K33 PolarHBondContact O-N 3.38Å; L31-E34 PolarHBondContact O-N 3.12Å; L31-E34 VanDerWaalsContact O-N 3.09Å; L31-Y35 HydrophobicContact CD2-CD2 4.33Å; L31-Y35 HydrophobicContact CD2-CE2 4.04Å; L31-Y35 WeakPolarHBondContact O-CD2 3.49Å; L31-Y35 PolarHBondContact O-N 3.43Å; L31-I50 HydrophobicContact CB-CD1 3.77Å; L31-I50 HydrophobicContact CB-CG1 4.21Å; L31-I50 HydrophobicContact CB-CG2 3.84Å; L31-I50 HydrophobicContact CD1-CD1 4.46Å; L31-I50 HydrophobicContact CD1-CG1 4.23Å; L31-I50 HydrophobicContact CD1-CG2 4.42Å; L31-I50 HydrophobicContact CG-CD1 4.48Å
32A89.8Confident87.3Confident15 Ų1592.3 Ų92.312%0.12445%0.447CS..Hα-helixtrans-62.7-30.417700000112.6Y28 H36 F47Y28-A32 HydrophobicContact CE1-CB 4.38Å; Y28-A32 HydrophobicContact CE2-CB 4.19Å; Y28-A32 WeakPolarHBondContact O-CB 3.41Å; Y28-A32 PolarHBondContact O-N 2.94Å; A32-H36 WeakPolarHBondContact O-CA 3.39Å; A32-H36 VanDerWaalsContact O-CB 3.28Å; A32-H36 WeakPolarHBondContact O-CB 3.46Å; A32-H36 PolarHBondContact O-N 3.01Å; A32-H36 VanDerWaalsContact O-N 3.13Å; A32-F47 HydrophobicContact CB-CE2 3.86Å
33K88.9Confident86.7Confident148 Ų14887 Ų8764%0.64342%0.42SS*.Hα-helixtrans-75.2-31.9174.7-173179179.1-177.30112.6R29 K30 L31R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 2.81Å; K30-K33 PolarHBondContact O-N 3.35Å; L31-K33 PolarHBondContact O-N 3.38Å
34E87.7Confident85.9Confident99 Ų9983.5 Ų83.546%0.46341%0.41SS..Hα-helixtrans-80.4-37.3-178.8-170.8174.416800112.1K30 L31 N40K30-E34 PolarHBondContact O-N 3.49Å; L31-E34 PolarHBondContact O-N 3.12Å; L31-E34 VanDerWaalsContact O-N 3.09Å; E34-N40 PolarHBondContact O-ND2 2.81Å
35Y88.5Confident85.5Confident45 Ų4588.5 Ų88.518%0.17644%0.437CS..SBendtrans-10612.8-177-66.6-73.9000113.8L31 A43 K46 F47 I50L31-Y35 HydrophobicContact CD2-CD2 4.33Å; L31-Y35 HydrophobicContact CD2-CE2 4.04Å; L31-Y35 WeakPolarHBondContact O-CD2 3.49Å; L31-Y35 PolarHBondContact O-N 3.43Å; Y35-A43 HydrophobicContact CD1-CB 3.65Å; Y35-A43 HydrophobicContact CE1-CB 4.23Å; Y35-K46 HydrophobicContact CD1-CB 3.95Å; Y35-K46 HydrophobicContact CD1-CD 4.02Å; Y35-K46 HydrophobicContact CE1-CB 4.19Å; Y35-K46 HydrophobicContact CE1-CD 3.41Å; Y35-K46 VanDerWaalsContact CE1-CD 3.41Å; Y35-K46 HydrophobicContact CE1-CG 4.45Å; Y35-K46 HydrophobicContact CG-CB 4.34Å; Y35-F47 WeakPolarHBondContact O-CB 3.43Å; Y35-F47 VanDerWaalsContact O-CD2 3.29Å; Y35-F47 WeakPolarHBondContact O-CD2 3.4Å; Y35-I50 HydrophobicContact CD2-CD1 3.46Å; Y35-I50 VanDerWaalsContact CD2-CD1 3.46Å; Y35-I50 HydrophobicContact CE2-CD1 4.16Å; Y35-I50 HydrophobicContact CG-CD1 3.93Å
36H84.4Confident85.2Confident83 Ų8389.3 Ų89.338%0.38444%0.441SS..  trans-57.8133.3178.4-162.2-94.8000110.4A32 D38 K39 N40A32-H36 WeakPolarHBondContact O-CA 3.39Å; A32-H36 VanDerWaalsContact O-CB 3.28Å; A32-H36 WeakPolarHBondContact O-CB 3.46Å; A32-H36 PolarHBondContact O-N 3.01Å; A32-H36 VanDerWaalsContact O-N 3.13Å; H36-D38 WeakPolarHBondContact ND1-CB 3.35Å; H36-D38 PolarHBondContact ND1-N 3.16Å; H36-D38 PolarHBondContact O-N 3.45Å; H36-D38 VanDerWaalsContact O-N 3.08Å; H36-K39 PolarHBondContact O-N 2.91Å; H36-N40 PolarHBondContact O-N 2.98Å
37P81.2Confident85Confident65 Ų6583.5 Ų83.542%0.42242%0.415SS..THydrogen-bonded Turntrans-58.1-28.8-176.320.1-32.5000113.3K39 P41P37-K39 VanDerWaalsContact C-N 3.33Å; P37-K39 PolarHBondContact O-N 3.37Å; P37-P41 WeakPolarHBondContact O-CA 3.43Å
38D84.6Confident84.6Confident138 Ų13887 Ų8774%0.73843%0.427SS*.THydrogen-bonded Turntrans-65.1-32.2174.5-16650.3000113.5H36H36-D38 WeakPolarHBondContact ND1-CB 3.35Å; H36-D38 PolarHBondContact ND1-N 3.16Å; H36-D38 PolarHBondContact O-N 3.45Å; H36-D38 VanDerWaalsContact O-N 3.08Å
39K80.9Confident84.5Confident131 Ų13189.4 Ų89.457%0.5744%0.441SS*.THydrogen-bonded Turntrans-98.8-27.5-178.6-68.7-173.8178.1-1750113.4H36 P37H36-K39 PolarHBondContact O-N 2.91Å; P37-K39 VanDerWaalsContact C-N 3.33Å; P37-K39 PolarHBondContact O-N 3.37Å
40N77.9Confident84.5Confident69 Ų6982.5 Ų82.537%0.36942%0.415SS..  trans-139.874.2-175.1-122.8-28.9000109.2E34 H36 N42 A43E34-N40 PolarHBondContact O-ND2 2.81Å; H36-N40 PolarHBondContact O-N 2.98Å; N40-N42 PolarHBondContact O-N 3.13Å; N40-N42 VanDerWaalsContact O-N 3.12Å; N40-A43 HydrophobicContact CB-CB 4.07Å; N40-A43 PolarHBondContact O-N 2.85Å
41P74.9Confident84.3Confident97 Ų9776.5 Ų76.563%0.6339%0.392SS*.G310 helixtrans-57-32.2-175.1-22.932.1000112.9P37 A43P37-P41 WeakPolarHBondContact O-CA 3.43Å; P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 2.95Å
42N77.5Confident84.3Confident162 Ų16278.4 Ų78.487%0.86640%0.399SS*.G310 helixtrans-81.1-6.5-177.7-60.4-16.6000113.8N40N40-N42 PolarHBondContact O-N 3.13Å; N40-N42 VanDerWaalsContact O-N 3.12Å
43A75.5Confident84.4Confident16 Ų1677.7 Ų77.713%0.13239%0.393CS..G310 helixtrans-10722.5-177.400000113Y35 N40 P41 D45 K46 F47Y35-A43 HydrophobicContact CD1-CB 3.65Å; Y35-A43 HydrophobicContact CE1-CB 4.23Å; N40-A43 HydrophobicContact CB-CB 4.07Å; N40-A43 PolarHBondContact O-N 2.85Å; P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 2.95Å; A43-D45 PolarHBondContact O-N 2.94Å; A43-K46 PolarHBondContact O-N 2.83Å; A43-K46 VanDerWaalsContact O-N 3.16Å; A43-F47 PolarHBondContact O-N 2.94Å; A43-F47 VanDerWaalsContact O-N 3.16Å
44G75.6Confident84.5Confident23 Ų2372.7 Ų72.724%0.23737%0.371CS..Hα-helixtrans-53.1-39.6-179.300000113.3F47 K48G44-F47 WeakPolarHBondContact O-CB 3.5Å; G44-F47 PolarHBondContact O-N 2.91Å; G44-K48 WeakPolarHBondContact O-CG 3.37Å; G44-K48 PolarHBondContact O-N 3.07Å
45D82.6Confident84.7Confident106 Ų10673 Ų7357%0.56737%0.372SS*.Hα-helixtrans-67.9-38.3-178.9-62.2-30.4000112.7A43 F47 K48 E49A43-D45 PolarHBondContact O-N 2.94Å; D45-F47 VanDerWaalsContact C-N 3.33Å; D45-F47 PolarHBondContact O-N 2.79Å; D45-K48 WeakPolarHBondContact O-CB 3.37Å; D45-K48 PolarHBondContact O-N 3.22Å; D45-K48 IonicContact OD1-NZ 2.83Å; D45-K48 PolarHBondContact OD1-NZ 3.08Å; D45-E49 PolarHBondContact O-N 3.16Å
46K84.9Confident84.8Confident110 Ų11070.9 Ų70.948%0.47836%0.364SS..Hα-helixtrans-63.3-40.9172.6-71.8-174.8174.8-177.30111.5Y35 A43 K48 E49 I50Y35-K46 HydrophobicContact CD1-CB 3.95Å; Y35-K46 HydrophobicContact CD1-CD 4.02Å; Y35-K46 HydrophobicContact CE1-CB 4.19Å; Y35-K46 HydrophobicContact CE1-CD 3.41Å; Y35-K46 VanDerWaalsContact CE1-CD 3.41Å; Y35-K46 HydrophobicContact CE1-CG 4.45Å; Y35-K46 HydrophobicContact CG-CB 4.34Å; A43-K46 PolarHBondContact O-N 2.83Å; A43-K46 VanDerWaalsContact O-N 3.16Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.23Å; K46-E49 PolarHBondContact O-N 3.16Å; K46-I50 WeakPolarHBondContact O-CB 3.35Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.44Å; K46-I50 WeakPolarHBondContact O-CG1 3.49Å; K46-I50 PolarHBondContact O-N 3.13Å
47F88Confident85.1Confident38 Ų3867.1 Ų67.117%0.16735%0.347CS..Hα-helixtrans-63.1-37.5177-171.8-98.1000112.1A32 Y35 A43 G44 D45 S51A32-F47 HydrophobicContact CB-CE2 3.86Å; Y35-F47 WeakPolarHBondContact O-CB 3.43Å; Y35-F47 VanDerWaalsContact O-CD2 3.29Å; Y35-F47 WeakPolarHBondContact O-CD2 3.4Å; A43-F47 PolarHBondContact O-N 2.94Å; A43-F47 VanDerWaalsContact O-N 3.16Å; G44-F47 WeakPolarHBondContact O-CB 3.5Å; G44-F47 PolarHBondContact O-N 2.91Å; D45-F47 VanDerWaalsContact C-N 3.33Å; D45-F47 PolarHBondContact O-N 2.79Å; F47-S51 WeakPolarHBondContact O-CB 3.29Å; F47-S51 PolarHBondContact O-N 3Å; F47-S51 PolarHBondContact O-OG 3.22Å
48K85.5Confident85.5Confident91 Ų9165.6 Ų65.640%0.39634%0.338SS..Hα-helixtrans-62.5-47.7173.9-67.2170.8-164.8161.30111.4G44 D45 K46 I50 S51 F52 F88G44-K48 WeakPolarHBondContact O-CG 3.37Å; G44-K48 PolarHBondContact O-N 3.07Å; D45-K48 WeakPolarHBondContact O-CB 3.37Å; D45-K48 PolarHBondContact O-N 3.22Å; D45-K48 IonicContact OD1-NZ 2.83Å; D45-K48 PolarHBondContact OD1-NZ 3.08Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.23Å; K48-I50 PolarHBondContact O-N 2.87Å; K48-S51 PolarHBondContact O-N 3.47Å; K48-F52 WeakPolarHBondContact O-CB 3.16Å; K48-F52 PolarHBondContact O-N 3.3Å; K48-F88 HydrophobicContact CB-CE1 3.9Å; K48-F88 HydrophobicContact CB-CZ 4.11Å; K48-F88 HydrophobicContact CD-CD1 4.28Å; K48-F88 HydrophobicContact CD-CE1 3.93Å; K48-F88 HydrophobicContact CG-CE1 3.89Å
49E89.7Confident85.5Confident108 Ų10861.9 Ų61.951%0.50532%0.318SS..Hα-helixtrans-60.3-45.1177.2-71.6177.7-173.800112.1I12 D45 K46 S51 F52 A53I12-E49 HydrophobicContact CD1-CB 4.45Å; I12-E49 HydrophobicContact CG2-CB 4.27Å; D45-E49 PolarHBondContact O-N 3.16Å; K46-E49 PolarHBondContact O-N 3.16Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 2.87Å; E49-F52 PolarHBondContact O-N 3.3Å; E49-A53 WeakPolarHBondContact O-CB 3.41Å; E49-A53 PolarHBondContact O-N 2.87Å
50I90.9Very high85.8Confident8 Ų860.4 Ų60.44%0.04132%0.322CS..Hα-helixtrans-61.2-42.6177.3-70.1158.3000111.2I12 L13 Y28 L31 Y35 K46 K48 Y54I12-I50 HydrophobicContact CG2-CG1 4.14Å; L13-I50 HydrophobicContact CD2-CG2 4.04Å; Y28-I50 HydrophobicContact CD2-CG2 3.71Å; Y28-I50 HydrophobicContact CE2-CG2 4.03Å; L31-I50 HydrophobicContact CB-CD1 3.77Å; L31-I50 HydrophobicContact CB-CG1 4.21Å; L31-I50 HydrophobicContact CB-CG2 3.84Å; L31-I50 HydrophobicContact CD1-CD1 4.46Å; L31-I50 HydrophobicContact CD1-CG1 4.23Å; L31-I50 HydrophobicContact CD1-CG2 4.42Å; L31-I50 HydrophobicContact CG-CD1 4.48Å; Y35-I50 HydrophobicContact CD2-CD1 3.46Å; Y35-I50 VanDerWaalsContact CD2-CD1 3.46Å; Y35-I50 HydrophobicContact CE2-CD1 4.16Å; Y35-I50 HydrophobicContact CG-CD1 3.93Å; K46-I50 WeakPolarHBondContact O-CB 3.35Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.44Å; K46-I50 WeakPolarHBondContact O-CG1 3.49Å; K46-I50 PolarHBondContact O-N 3.13Å; K48-I50 PolarHBondContact O-N 2.87Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 2.86Å
51S89.8Confident86.2Confident25 Ų2563.3 Ų63.318%0.17533%0.333CS..Hα-helixtrans-67.1-43.4179.3-59.30000111.3F47 K48 E49 Y54 E55F47-S51 WeakPolarHBondContact O-CB 3.29Å; F47-S51 PolarHBondContact O-N 3Å; F47-S51 PolarHBondContact O-OG 3.22Å; K48-S51 PolarHBondContact O-N 3.47Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 2.87Å; S51-Y54 PolarHBondContact O-N 3.08Å; S51-E55 WeakPolarHBondContact O-CB 3.33Å; S51-E55 PolarHBondContact O-N 3.09Å
52F91Very high86.8Confident69 Ų6962.1 Ų62.130%0.30332%0.318SS..Hα-helixtrans-62.9-47176.2-179.7-105.4000111.9L9 K48 E49 Y54 E55 V56L9-F52 HydrophobicContact CD2-CD1 3.95Å; L9-F52 HydrophobicContact CD2-CE1 4.01Å; K48-F52 WeakPolarHBondContact O-CB 3.16Å; K48-F52 PolarHBondContact O-N 3.3Å; E49-F52 PolarHBondContact O-N 3.3Å; F52-Y54 VanDerWaalsContact C-N 3.31Å; F52-Y54 PolarHBondContact O-N 3.32Å; F52-E55 PolarHBondContact O-N 2.91Å; F52-V56 HydrophobicContact CD2-CG2 4.45Å; F52-V56 HydrophobicContact CE1-CG2 4.21Å; F52-V56 HydrophobicContact CE2-CG2 4.05Å; F52-V56 HydrophobicContact CZ-CG2 3.92Å; F52-V56 WeakPolarHBondContact O-CG2 3.44Å; F52-V56 PolarHBondContact O-N 2.79Å
53A91.8Very high87.4Confident0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-59-42.6176.900000111.8L9 I12 L13 E49 L57L9-A53 HydrophobicContact CB-CB 4.12Å; L9-A53 HydrophobicContact CD2-CB 4.04Å; I12-A53 HydrophobicContact CB-CB 4.16Å; I12-A53 HydrophobicContact CG2-CB 3.9Å; L13-A53 HydrophobicContact CD1-CB 4.3Å; L13-A53 HydrophobicContact CD2-CB 4.29Å; L13-A53 HydrophobicContact CG-CB 3.9Å; E49-A53 WeakPolarHBondContact O-CB 3.41Å; E49-A53 PolarHBondContact O-N 2.87Å; A53-L57 VanDerWaalsContact O-CB 3.26Å; A53-L57 WeakPolarHBondContact O-CB 3.46Å; A53-L57 VanDerWaalsContact O-CG 3.22Å; A53-L57 WeakPolarHBondContact O-CG 3.3Å; A53-L57 PolarHBondContact O-N 2.81Å
54Y92Very high87.9Confident44 Ų4460.8 Ų60.817%0.17330%0.302CS..Hα-helixtrans-69.2-38.4176.7-177.6-106.8000113L24 K25 Y28 I50 S51 F52 V56 L57 S58L24-Y54 HydrophobicContact CB-CD2 4.49Å; L24-Y54 HydrophobicContact CB-CE2 4.37Å; K25-Y54 HydrophobicContact CB-CE2 4.18Å; Y28-Y54 VanDerWaalsContact CB-CD2 3.41Å; Y28-Y54 AromaticContact CD1-CD1 3.72Å; Y28-Y54 HydrophobicContact CD1-CD1 3.72Å; Y28-Y54 HydrophobicContact CD1-CD2 4.27Å; Y28-Y54 AromaticContact CD1-CE1 3.86Å; Y28-Y54 HydrophobicContact CD1-CE1 3.86Å; Y28-Y54 HydrophobicContact CD1-CE2 4.38Å; Y28-Y54 AromaticContact CD1-CG 3.93Å; Y28-Y54 HydrophobicContact CD1-CG 3.93Å; Y28-Y54 VanDerWaalsContact CD2-CB 3.42Å; Y28-Y54 AromaticContact CD2-CD1 3.96Å; Y28-Y54 HydrophobicContact CD2-CD1 3.96Å; Y28-Y54 HydrophobicContact CD2-CD2 4.3Å; Y28-Y54 AromaticContact CD2-CG 3.63Å; Y28-Y54 HydrophobicContact CD2-CG 3.63Å; Y28-Y54 AromaticContact CE1-CD1 3.95Å; Y28-Y54 HydrophobicContact CE1-CD1 3.95Å; Y28-Y54 HydrophobicContact CE1-CE1 4.16Å; Y28-Y54 HydrophobicContact CE2-CD1 4.19Å; Y28-Y54 HydrophobicContact CE2-CG 4.26Å; Y28-Y54 AromaticContact CG-CD1 3.72Å; Y28-Y54 HydrophobicContact CG-CD1 3.72Å; Y28-Y54 AromaticContact CG-CD2 3.74Å; Y28-Y54 HydrophobicContact CG-CD2 3.74Å; Y28-Y54 HydrophobicContact CG-CE1 4.24Å; Y28-Y54 HydrophobicContact CG-CE2 4.25Å; Y28-Y54 AromaticContact CG-CG 3.44Å; Y28-Y54 HydrophobicContact CG-CG 3.44Å; Y28-Y54 VanDerWaalsContact CG-CG 3.44Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 2.86Å; S51-Y54 PolarHBondContact O-N 3.08Å; F52-Y54 VanDerWaalsContact C-N 3.31Å; F52-Y54 PolarHBondContact O-N 3.32Å; Y54-V56 PolarHBondContact O-N 2.97Å; Y54-L57 PolarHBondContact O-N 3.16Å; Y54-S58 WeakPolarHBondContact O-CB 3.35Å; Y54-S58 PolarHBondContact O-N 3.03Å; Y54-S58 PolarHBondContact O-OG 3.46Å
55E91.3Very high88.3Confident105 Ų10562.6 Ų62.649%0.49131%0.306SS..Hα-helixtrans-62.4-43.8178.1-165.6-160.2140.300111.9S51 F52 S58 K62S51-E55 WeakPolarHBondContact O-CB 3.33Å; S51-E55 PolarHBondContact O-N 3.09Å; F52-E55 PolarHBondContact O-N 2.91Å; E55-S58 PolarHBondContact O-OG 3.02Å; E55-K62 IonicContact OE1-NZ 3.82Å; E55-K62 PolarHBondContact OE1-NZ 2.87Å
56V90.7Very high88.6Confident1 Ų157.6 Ų57.61%0.00628%0.279CS..Hα-helixtrans-68.5-47.7177.6173.70000111L9 F52 Y54 K62 R63 Y66 L74L9-V56 HydrophobicContact CD1-CB 3.75Å; L9-V56 HydrophobicContact CD1-CG1 3.53Å; L9-V56 HydrophobicContact CD1-CG2 4.17Å; F52-V56 HydrophobicContact CD2-CG2 4.45Å; F52-V56 HydrophobicContact CE1-CG2 4.21Å; F52-V56 HydrophobicContact CE2-CG2 4.05Å; F52-V56 HydrophobicContact CZ-CG2 3.92Å; F52-V56 WeakPolarHBondContact O-CG2 3.44Å; F52-V56 PolarHBondContact O-N 2.79Å; Y54-V56 PolarHBondContact O-N 2.97Å; V56-K62 HydrophobicContact CG1-CB 4.27Å; V56-K62 WeakPolarHBondContact O-CB 3.24Å; V56-R63 PolarHBondContact O-N 2.95Å; V56-Y66 HydrophobicContact CG1-CG 4.26Å; V56-L74 HydrophobicContact CG1-CD1 3.91Å; V56-L74 HydrophobicContact CG1-CD2 3.93Å; V56-L74 HydrophobicContact CG2-CD1 4.37Å; V56-L74 HydrophobicContact CG2-CD2 3.97Å
57L91Very high88.8Confident3 Ų354.4 Ų54.42%0.01627%0.267CS..Hα-helixtrans-79.3-20.6-173.5-64.6177.5000114L9 Y10 L13 L24 A53 Y54 R63 Y66L9-L57 HydrophobicContact CB-CD1 3.85Å; L9-L57 HydrophobicContact CB-CD2 4.44Å; L9-L57 HydrophobicContact CB-CG 4.14Å; Y10-L57 HydrophobicContact CD1-CD1 3.68Å; Y10-L57 HydrophobicContact CD1-CD2 4.25Å; Y10-L57 HydrophobicContact CD2-CD2 4.39Å; Y10-L57 HydrophobicContact CE1-CD1 3.87Å; Y10-L57 HydrophobicContact CE1-CD2 3.67Å; Y10-L57 HydrophobicContact CE1-CG 4.34Å; Y10-L57 HydrophobicContact CE2-CD2 3.81Å; Y10-L57 HydrophobicContact CG-CD1 4.08Å; Y10-L57 VanDerWaalsContact CZ-CD2 3.44Å; L13-L57 HydrophobicContact CD1-CD1 3.9Å; L24-L57 HydrophobicContact CD1-CB 3.93Å; L24-L57 WeakPolarHBondContact CD1-O 3.2Å; L24-L57 HydrophobicContact CD2-CB 3.9Å; L24-L57 HydrophobicContact CD2-CD1 3.9Å; A53-L57 VanDerWaalsContact O-CB 3.26Å; A53-L57 WeakPolarHBondContact O-CB 3.46Å; A53-L57 VanDerWaalsContact O-CG 3.22Å; A53-L57 WeakPolarHBondContact O-CG 3.3Å; A53-L57 PolarHBondContact O-N 2.81Å; Y54-L57 PolarHBondContact O-N 3.16Å; L57-R63 HydrophobicContact CD2-CG 4.07Å; L57-R63 WeakPolarHBondContact O-CD 3.2Å; L57-Y66 HydrophobicContact CD2-CD1 3.92Å; L57-Y66 HydrophobicContact CD2-CE1 4.31Å
58S88.2Confident88.6Confident34 Ų3459.4 Ų59.424%0.23829%0.285CS..Hα-helixtrans-81.3-23176.9640000113.6Y54 E55 P60Y54-S58 WeakPolarHBondContact O-CB 3.35Å; Y54-S58 PolarHBondContact O-N 3.03Å; Y54-S58 PolarHBondContact O-OG 3.46Å; E55-S58 PolarHBondContact O-OG 3.02Å; S58-P60 WeakPolarHBondContact O-CD 3.32Å
59N86.4Confident88.4Confident60 Ų6061.3 Ų61.332%0.32129%0.291SS..SBendtrans-89.2118.4174.5-176.4-39.8000109.9E61 K62 R63N59-E61 VanDerWaalsContact C-N 3.27Å; N59-E61 PolarHBondContact O-N 2.81Å; N59-E61 WeakPolarHBondContact OD1-CB 3.42Å; N59-E61 PolarHBondContact OD1-N 3.48Å; N59-K62 HydrophobicContact CB-CB 4.09Å; N59-K62 HydrophobicContact CB-CD 4.27Å; N59-K62 HydrophobicContact CB-CG 4.12Å; N59-K62 PolarHBondContact O-N 2.75Å; N59-K62 PolarHBondContact OD1-N 3.49Å; N59-R63 WeakPolarHBondContact O-CB 3.48Å; N59-R63 PolarHBondContact O-N 3.3Å
60P87.4Confident88.2Confident99 Ų9956.3 Ų56.364%0.64327%0.268SS*.Hα-helixtrans-55-38.4-177.8-25.833.7000114.2S58 E64S58-P60 WeakPolarHBondContact O-CD 3.32Å; P60-E64 WeakPolarHBondContact O-CB 3.44Å; P60-E64 PolarHBondContact O-N 3.28Å
61E84.7Confident87.5Confident131 Ų13157.9 Ų57.961%0.61228%0.275SS*.Hα-helixtrans-70.3-44.5-179.6-62.2-177.9177.700111.3N59 E64 L65N59-E61 VanDerWaalsContact C-N 3.27Å; N59-E61 PolarHBondContact O-N 2.81Å; N59-E61 WeakPolarHBondContact OD1-CB 3.42Å; N59-E61 PolarHBondContact OD1-N 3.48Å; E61-E64 PolarHBondContact O-N 3.37Å; E61-L65 PolarHBondContact O-N 3.43Å; E61-L65 VanDerWaalsContact O-N 3.1Å
62K88.1Confident86.6Confident72 Ų7263.8 Ų63.831%0.31330%0.3SS..Hα-helixtrans-68.4-39.1177.7-67-171.7178.7-173.10111.3E55 V56 N59 L65 Y66E55-K62 IonicContact OE1-NZ 3.82Å; E55-K62 PolarHBondContact OE1-NZ 2.87Å; V56-K62 HydrophobicContact CG1-CB 4.27Å; V56-K62 WeakPolarHBondContact O-CB 3.24Å; N59-K62 HydrophobicContact CB-CB 4.09Å; N59-K62 HydrophobicContact CB-CD 4.27Å; N59-K62 HydrophobicContact CB-CG 4.12Å; N59-K62 PolarHBondContact O-N 2.75Å; N59-K62 PolarHBondContact OD1-N 3.49Å; K62-L65 PolarHBondContact O-N 3.22Å; K62-Y66 WeakPolarHBondContact O-CB 3.29Å; K62-Y66 PolarHBondContact O-N 2.97Å
63R89.5Confident85.5Confident42 Ų4260.8 Ų60.816%0.15829%0.289CS..Hα-helixtrans-61.9-46.6175.3-177.4175.8179.5168.61.5111.1Y10 P17 A19 L24 V56 L57 N59 L65 Y66 D67Y10-R63 PolarHBondContact OH-NE 3.33Å; Y10-R63 PolarHBondContact OH-NH2 3.41Å; P17-R63 PolarHBondContact O-NH2 3.21Å; A19-R63 PolarHBondContact O-NH1 3.03Å; A19-R63 PolarHBondContact O-NH2 2.91Å; L24-R63 VanDerWaalsContact CD1-NH1 3.27Å; V56-R63 PolarHBondContact O-N 2.95Å; L57-R63 HydrophobicContact CD2-CG 4.07Å; L57-R63 WeakPolarHBondContact O-CD 3.2Å; N59-R63 WeakPolarHBondContact O-CB 3.48Å; N59-R63 PolarHBondContact O-N 3.3Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.44Å; R63-Y66 PolarHBondContact O-N 3.28Å; R63-D67 IonicContact NE-OD2 3.93Å; R63-D67 VanDerWaalsContact O-CB 3.29Å; R63-D67 WeakPolarHBondContact O-CB 3.21Å; R63-D67 PolarHBondContact O-N 3.01Å
64E86.3Confident84.4Confident108 Ų10862.6 Ų62.651%0.50530%0.299SS..Hα-helixtrans-62.5-39.7177.5-171.1-178.217700112P60 E61 D67 R68P60-E64 WeakPolarHBondContact O-CB 3.44Å; P60-E64 PolarHBondContact O-N 3.28Å; E61-E64 PolarHBondContact O-N 3.37Å; E64-D67 PolarHBondContact O-N 3.19Å; E64-R68 WeakPolarHBondContact O-CB 3.28Å; E64-R68 PolarHBondContact O-N 3.06Å; E64-R68 IonicContact OE1-CZ 3.71Å; E64-R68 IonicContact OE1-NH2 2.7Å; E64-R68 PolarHBondContact OE1-NH2 3.42Å
65L85.6Confident83Confident61 Ų6167.9 Ų67.932%0.31932%0.318SS..Hα-helixtrans-64.4-45.8176.6-16873.5000111.7E61 K62 R63 R68 Y69 G73E61-L65 PolarHBondContact O-N 3.43Å; E61-L65 VanDerWaalsContact O-N 3.1Å; K62-L65 PolarHBondContact O-N 3.22Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.44Å; L65-R68 PolarHBondContact O-N 2.77Å; L65-Y69 HydrophobicContact CD1-CD2 3.75Å; L65-Y69 HydrophobicContact CD1-CE2 3.96Å; L65-Y69 HydrophobicContact CG-CD2 4.38Å; L65-Y69 PolarHBondContact O-N 2.96Å; L65-G73 WeakPolarHBondContact CD2-O 3.08Å
66Y88.1Confident81.3Confident0 Ų071 Ų710%033%0.332CS..Hα-helixtrans-63.1-42.5174.8178.4-104.8000111.8D6 K8 L9 Y10 V56 L57 K62 R63 R68 G70 L74D6-Y66 HydrophobicContact CB-CE2 4.08Å; D6-Y66 WeakPolarHBondContact O-CE1 3.48Å; D6-Y66 PolarHBondContact O-OH 3.35Å; D6-Y66 PolarHBondContact OD1-OH 2.75Å; K8-Y66 PolarHBondContact N-OH 3.33Å; K8-Y66 VanDerWaalsContact N-OH 3.13Å; L9-Y66 HydrophobicContact CB-CE1 3.88Å; L9-Y66 HydrophobicContact CB-CE2 4.37Å; L9-Y66 HydrophobicContact CD1-CD1 4.11Å; L9-Y66 HydrophobicContact CD1-CD2 3.67Å; L9-Y66 HydrophobicContact CD1-CE1 4.01Å; L9-Y66 HydrophobicContact CD1-CE2 3.53Å; L9-Y66 HydrophobicContact CD1-CG 3.94Å; L9-Y66 HydrophobicContact CG-CD2 4.28Å; L9-Y66 HydrophobicContact CG-CE1 4.03Å; L9-Y66 HydrophobicContact CG-CE2 3.61Å; L9-Y66 VanDerWaalsContact CG-CZ 3.48Å; L9-Y66 PolarHBondContact N-OH 2.98Å; Y10-Y66 AromaticContact CD2-CE1 3.94Å; Y10-Y66 HydrophobicContact CD2-CE1 3.94Å; Y10-Y66 HydrophobicContact CE2-CD1 4.06Å; Y10-Y66 AromaticContact CE2-CE1 3.77Å; Y10-Y66 HydrophobicContact CE2-CE1 3.77Å; V56-Y66 HydrophobicContact CG1-CG 4.26Å; L57-Y66 HydrophobicContact CD2-CD1 3.92Å; L57-Y66 HydrophobicContact CD2-CE1 4.31Å; K62-Y66 WeakPolarHBondContact O-CB 3.29Å; K62-Y66 PolarHBondContact O-N 2.97Å; R63-Y66 PolarHBondContact O-N 3.28Å; Y66-R68 PolarHBondContact O-N 3.32Å; Y66-G70 WeakPolarHBondContact O-CA 3.31Å; Y66-G70 PolarHBondContact O-N 3.18Å; Y66-L74 HydrophobicContact CD2-CD1 3.5Å; Y66-L74 HydrophobicContact CE2-CD1 4.41Å; Y66-L74 HydrophobicContact CG-CD1 4.16Å
67D89.1Confident79.4Confident44 Ų4474 Ų7424%0.23536%0.364CS..Hα-helixtrans-64.1-33.6-179.7-72.5-13.7000111.6V4 A5 Y10 R63 E64V4-D67 HydrophobicContact CG1-CB 3.87Å; V4-D67 VanDerWaalsContact CG1-OD1 3.23Å; V4-D67 WeakPolarHBondContact CG1-OD1 3.46Å; A5-D67 PolarHBondContact N-O 2.98Å; Y10-D67 VanDerWaalsContact CE2-OD1 3.26Å; Y10-D67 WeakPolarHBondContact CE2-OD1 3.34Å; Y10-D67 VanDerWaalsContact OH-CG 3.27Å; Y10-D67 PolarHBondContact OH-OD1 2.79Å; Y10-D67 PolarHBondContact OH-OD2 3.04Å; R63-D67 IonicContact NE-OD2 3.93Å; R63-D67 VanDerWaalsContact O-CB 3.29Å; R63-D67 WeakPolarHBondContact O-CB 3.21Å; R63-D67 PolarHBondContact O-N 3.01Å; E64-D67 PolarHBondContact O-N 3.19Å
68R84.1Confident77.3Confident142 Ų14278 Ų7854%0.53639%0.392SS..Hα-helixtrans-84.5-37.6-177.7-164.1-178.3-60.7-175.43.1114.1E64 L65 Y66E64-R68 WeakPolarHBondContact O-CB 3.28Å; E64-R68 PolarHBondContact O-N 3.06Å; E64-R68 IonicContact OE1-CZ 3.71Å; E64-R68 IonicContact OE1-NH2 2.7Å; E64-R68 PolarHBondContact OE1-NH2 3.42Å; L65-R68 PolarHBondContact O-N 2.77Å; Y66-R68 PolarHBondContact O-N 3.32Å
69Y81.6Confident74.8Confident131 Ų13180.2 Ų80.251%0.51442%0.421SS..Hα-helixtrans-1270.2-169.3-59-65.8000114.2L65 G73L65-Y69 HydrophobicContact CD1-CD2 3.75Å; L65-Y69 HydrophobicContact CD1-CE2 3.96Å; L65-Y69 HydrophobicContact CG-CD2 4.38Å; L65-Y69 PolarHBondContact O-N 2.96Å; Y69-G73 PolarHBondContact O-N 3.14Å
70G83.8Confident72.3Confident3 Ų381 Ų813%0.03144%0.442CS..Hα-helixtrans65.6-160.6-176.600000113Y66 Q72 G73Y66-G70 WeakPolarHBondContact O-CA 3.31Å; Y66-G70 PolarHBondContact O-N 3.18Å; G70-Q72 PolarHBondContact O-N 3.48Å; G70-Q72 VanDerWaalsContact O-N 3.16Å; G70-G73 PolarHBondContact O-N 2.75Å; G70-G73 VanDerWaalsContact O-N 3.09Å
71E76.7Confident69.7Low42 Ų4280.7 Ų80.720%0.19646%0.458CS..Hα-helixtrans-60.7-25.1-179.5-153.5175.5174.800112.8K8 L74 M84K8-E71 IonicContact NZ-OE1 3.55Å; K8-E71 IonicContact NZ-OE2 2.75Å; K8-E71 PolarHBondContact NZ-OE2 3.28Å; E71-L74 PolarHBondContact O-N 2.74Å; E71-M84 WeakPolarHBondContact OE1-CE 3.43Å
72Q71.3Confident67.4Low148 Ų14876.6 Ų76.669%0.69245%0.451SS*.Hα-helixtrans-66.8-37.3175.1-74.7-175.7-5.500112.8G70 L74 R75 E76G70-Q72 PolarHBondContact O-N 3.48Å; G70-Q72 VanDerWaalsContact O-N 3.16Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.91Å; Q72-R75 WeakPolarHBondContact O-CB 3.46Å; Q72-R75 PolarHBondContact O-N 2.94Å; Q72-E76 PolarHBondContact O-N 2.8Å; Q72-E76 VanDerWaalsContact O-N 3.15Å
73G67.9Low65.1Low7 Ų775.4 Ų75.47%0.07246%0.459CS..Hα-helixtrans-63.5-32.1178.700000113.6L65 Y69 G70 R75 G77L65-G73 WeakPolarHBondContact CD2-O 3.08Å; Y69-G73 PolarHBondContact O-N 3.14Å; G70-G73 PolarHBondContact O-N 2.75Å; G70-G73 VanDerWaalsContact O-N 3.09Å; G73-R75 VanDerWaalsContact C-N 3.31Å; G73-G77 PolarHBondContact O-N 3.05Å
74L68.6Low63.2Low38 Ų3878 Ų7820%0.19947%0.474CS..Hα-helixtrans-69.7-30.1174.9-75.2146.4000112.3L9 V56 Y66 E71 Q72L9-L74 HydrophobicContact CD1-CD1 4.45Å; V56-L74 HydrophobicContact CG1-CD1 3.91Å; V56-L74 HydrophobicContact CG1-CD2 3.93Å; V56-L74 HydrophobicContact CG2-CD1 4.37Å; V56-L74 HydrophobicContact CG2-CD2 3.97Å; Y66-L74 HydrophobicContact CD2-CD1 3.5Å; Y66-L74 HydrophobicContact CE2-CD1 4.41Å; Y66-L74 HydrophobicContact CG-CD1 4.16Å; E71-L74 PolarHBondContact O-N 2.74Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.91Å
75R63.3Low61.7Low154 Ų15479.7 Ų79.758%0.58149%0.486SS*.Hα-helixtrans-74.2-43.5177.2-73-178.4161.2-166.2-5.1112Q72 G73 G77 S78 M84Q72-R75 WeakPolarHBondContact O-CB 3.46Å; Q72-R75 PolarHBondContact O-N 2.94Å; G73-R75 VanDerWaalsContact C-N 3.31Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 3.09Å; R75-S78 PolarHBondContact O-N 2.89Å; R75-M84 VanDerWaalsContact NH2-CE 3.28Å
76E54.7Low60.2Low170 Ų17081.5 Ų81.579%0.79450%0.496SS*.Hα-helixtrans-75.8-20.6-176.7-68.5-174.1165.600113.6Q72 S78Q72-E76 PolarHBondContact O-N 2.8Å; Q72-E76 VanDerWaalsContact O-N 3.15Å; E76-S78 PolarHBondContact O-N 2.99Å
77G50.9Low58.6Low64 Ų6486 Ų8666%0.6652%0.519SS*.THydrogen-bonded Turntrans-72.9-12171.600000114.6G73 R75G73-G77 PolarHBondContact O-N 3.05Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 3.09Å
78S47.6Very low56.9Low88 Ų8887.3 Ų87.362%0.61552%0.523SS*.SBendtrans-114.191.3177.2-139.70000108.7R75 E76 G80R75-S78 PolarHBondContact O-N 2.89Å; E76-S78 PolarHBondContact O-N 2.99Å; S78-G80 PolarHBondContact O-N 3.46Å
79G35.8Very low55.5Low81 Ų8183.4 Ų83.484%0.83552%0.518SS*.  trans-58.4126.2-179.300000112.1
80G34.1Very low54.3Low75 Ų7581.8 Ų81.877%0.77351%0.514SS*.SBendtrans111.3110.1165.200000113.6S78S78-G80 PolarHBondContact O-N 3.46Å
81G32.1Very low52.9Low94 Ų9484.9 Ų84.997%0.96953%0.53SS*.  trans-58.1135.2-176.200000115.2
82G36.6Very low51.9Low45 Ų4590.3 Ų90.346%0.46455%0.553SS.*  trans-169.2136166.500000107.3
83G38.8Very low50.8Low47 Ų4785.7 Ų85.749%0.48555%0.545SS..  trans-57.1156.9-174.100000113.3D85 D86G83-D85 PolarHBondContact O-N 2.87Å; G83-D86 PolarHBondContact O-N 2.73Å; G83-D86 VanDerWaalsContact O-N 3.08Å
84M50.7Low49.7Very low97 Ų9789.7 Ų89.748%0.47859%0.586SS.*Hα-helixtrans-53.9-27.9179.6-82.9179.8166.700113.3E71 R75E71-M84 WeakPolarHBondContact OE1-CE 3.43Å; R75-M84 VanDerWaalsContact NH2-CE 3.28Å
85D55Low48.4Very low142 Ų14291.1 Ų91.176%0.75961%0.611SS**Hα-helixtrans-74.4-32.5-179.6-60.3-47000113.1G83 S89G83-D85 PolarHBondContact O-N 2.87Å; D85-S89 PolarHBondContact O-N 2.82Å; D85-S89 VanDerWaalsContact O-N 3.16Å; D85-S89 PolarHBondContact O-OG 2.88Å
86D53.7Low47.2Very low100 Ų10088.4 Ų88.454%0.53561%0.607SS.*Hα-helixtrans-77.9-32.1-179.1-82.4-29000112.6G83 F88 S89 H90G83-D86 PolarHBondContact O-N 2.73Å; G83-D86 VanDerWaalsContact O-N 3.08Å; D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 PolarHBondContact O-N 2.81Å; D86-S89 WeakPolarHBondContact CA-OG 3.5Å; D86-S89 PolarHBondContact O-OG 2.96Å; D86-H90 WeakPolarHBondContact O-CB 3.24Å; D86-H90 PolarHBondContact O-CD2 3.14Å; D86-H90 PolarHBondContact O-N 3.39Å
87I54.3Low46.4Very low94 Ų9486.7 Ų86.748%0.48260%0.597SS.*Hα-helixtrans-67.5-36.5175-68.7168.7000110.2I91I87-I91 HydrophobicContact CG2-CD1 3.63Å; I87-I91 WeakPolarHBondContact O-CB 3.32Å; I87-I91 VanDerWaalsContact O-CD1 3.29Å; I87-I91 WeakPolarHBondContact O-CD1 3.39Å; I87-I91 WeakPolarHBondContact O-CG1 3.48Å; I87-I91 PolarHBondContact O-N 3.38Å; I87-I91 VanDerWaalsContact O-N 3.14Å
88F52.7Low46.2Very low71 Ų7187 Ų8731%0.31160%0.6SS.*Hα-helixtrans-74.7-37.6-179.4-113.4-88000113.3K48 D86 I91 F92K48-F88 HydrophobicContact CB-CE1 3.9Å; K48-F88 HydrophobicContact CB-CZ 4.11Å; K48-F88 HydrophobicContact CD-CD1 4.28Å; K48-F88 HydrophobicContact CD-CE1 3.93Å; K48-F88 HydrophobicContact CG-CE1 3.89Å; D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 PolarHBondContact O-N 2.81Å; F88-I91 PolarHBondContact O-N 3.38Å; F88-F92 HydrophobicContact CD1-CD2 4.42Å; F88-F92 HydrophobicContact CE1-CD2 4.35Å; F88-F92 PolarHBondContact O-N 2.73Å
89S55.7Low45.8Very low61 Ų6192.1 Ų92.143%0.42761%0.612SS.*Hα-helixtrans-67.6-36.117560.50000111.7D85 D86 G93D85-S89 PolarHBondContact O-N 2.82Å; D85-S89 VanDerWaalsContact O-N 3.16Å; D85-S89 PolarHBondContact O-OG 2.88Å; D86-S89 WeakPolarHBondContact CA-OG 3.5Å; D86-S89 PolarHBondContact O-OG 2.96Å; S89-G93 WeakPolarHBondContact O-CA 3.4Å; S89-G93 PolarHBondContact O-N 2.89Å
90H55.4Low45.9Very low96 Ų9697.1 Ų97.144%0.44462%0.615SS.*Hα-helixtrans-71.3-32.8174.9-83.6-73.5000113.6D86 L96 F97D86-H90 WeakPolarHBondContact O-CB 3.24Å; D86-H90 PolarHBondContact O-CD2 3.14Å; D86-H90 PolarHBondContact O-N 3.39Å; H90-L96 WeakPolarHBondContact ND1-CD2 2.99Å; H90-F97 WeakPolarHBondContact O-CD2 3.49Å
91I54.5Low46.3Very low69 Ų6996.7 Ų96.735%0.35461%0.611SS.*Hα-helixtrans-75-45.6178.2-70.7163000113I87 F88 F97I87-I91 HydrophobicContact CG2-CD1 3.63Å; I87-I91 WeakPolarHBondContact O-CB 3.32Å; I87-I91 VanDerWaalsContact O-CD1 3.29Å; I87-I91 WeakPolarHBondContact O-CD1 3.39Å; I87-I91 WeakPolarHBondContact O-CG1 3.48Å; I87-I91 PolarHBondContact O-N 3.38Å; I87-I91 VanDerWaalsContact O-N 3.14Å; F88-I91 PolarHBondContact O-N 3.38Å; I91-F97 VanDerWaalsContact CA-CD2 3.48Å; I91-F97 HydrophobicContact CB-CD2 4.37Å; I91-F97 HydrophobicContact CB-CE1 4.45Å; I91-F97 HydrophobicContact CB-CE2 3.98Å; I91-F97 HydrophobicContact CB-CZ 4.09Å; I91-F97 HydrophobicContact CD1-CZ 4.15Å; I91-F97 HydrophobicContact CG1-CD2 4.13Å; I91-F97 HydrophobicContact CG1-CE1 3.86Å; I91-F97 HydrophobicContact CG1-CE2 3.28Å; I91-F97 HydrophobicContact CG1-CZ 3.16Å; I91-F97 HydrophobicContact CG2-CE1 4.33Å; I91-F97 HydrophobicContact CG2-CZ 4.43Å
92F56.6Low46.8Very low155 Ų155100.4 Ų100.468%0.6861%0.609SS**Hα-helixtrans-102.9-15.6-172.3-94.9-92.3000114.1F88 G94F88-F92 HydrophobicContact CD1-CD2 4.42Å; F88-F92 HydrophobicContact CE1-CD2 4.35Å; F88-F92 PolarHBondContact O-N 2.73Å; F92-G94 PolarHBondContact O-N 3.04Å
93G47.7Very low47.2Very low52 Ų52107.5 Ų107.554%0.53663%0.63SS.*SBendtrans-98.761.5-178.100000114.1S89 G95S89-G93 WeakPolarHBondContact O-CA 3.4Å; S89-G93 PolarHBondContact O-N 2.89Å; G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 3.36Å
94G44.4Very low47.5Very low90 Ų90110.3 Ų110.393%0.92864%0.642SS**SBendtrans55.99.2144.900000122.2F92F92-G94 PolarHBondContact O-N 3.04Å
95G42.3Very low47.1Very low69 Ų69115.7 Ų115.771%0.71166%0.657SS**SBendtrans-134.7-18.5-17000000118.6G93G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 3.36Å
96L37.7Very low46.5Very low96 Ų96114.2 Ų114.250%0.50366%0.658SS.*SBendtrans-136.2-14.9-172.7-163.361.8000114.9H90 G98H90-L96 WeakPolarHBondContact ND1-CD2 2.99Å; L96-G98 PolarHBondContact O-N 3.45Å
97F38.1Very low46.3Very low135 Ų135120.2 Ų120.259%0.59267%0.673SS**THydrogen-bonded Turntrans-76.4-0-179.3-104.5-108000115.5H90 I91H90-F97 WeakPolarHBondContact O-CD2 3.49Å; I91-F97 VanDerWaalsContact CA-CD2 3.48Å; I91-F97 HydrophobicContact CB-CD2 4.37Å; I91-F97 HydrophobicContact CB-CE1 4.45Å; I91-F97 HydrophobicContact CB-CE2 3.98Å; I91-F97 HydrophobicContact CB-CZ 4.09Å; I91-F97 HydrophobicContact CD1-CZ 4.15Å; I91-F97 HydrophobicContact CG1-CD2 4.13Å; I91-F97 HydrophobicContact CG1-CE1 3.86Å; I91-F97 HydrophobicContact CG1-CE2 3.28Å; I91-F97 HydrophobicContact CG1-CZ 3.16Å; I91-F97 HydrophobicContact CG2-CE1 4.33Å; I91-F97 HydrophobicContact CG2-CZ 4.43Å
98G45.7Very low46Very low70 Ų70123.5 Ų123.572%0.72269%0.692SS**THydrogen-bonded Turntrans-90-13.717500000115.7L96L96-G98 PolarHBondContact O-N 3.45Å
99F39.2Very low45.9Very low195 Ų195122.3 Ų122.386%0.85570%0.699SS**THydrogen-bonded Turntrans-131.9-0.3-162.3-91.1-86.8000117.9
100M39.5Very low46Very low186 Ų186129.1 Ų129.192%0.91672%0.716SS**SBendtrans-145.619.9-177.7-96-159.9-164.600117.4
101G42.1Very low46.9Very low66 Ų66133 Ų13368%0.6873%0.727SS**SBendtrans-120.1-17.5-165.700000120.4
102N42Very low48.3Very low173 Ų173135.9 Ų135.993%0.92573%0.733SS**  trans-117.435-166.6-125.332.8000115.3
103Q45.2Very low49.6Very low193 Ų193129.3 Ų129.390%0.90271%0.709SS**  trans-108.156177.7-110.3-179.94600111.9
104S45.4Very low51.6Low107 Ų107135.3 Ų135.375%0.74872%0.723SS**SBendtrans-171.6125.8159-91.50000113.3
105R41.7Very low53.9Low209 Ų209134.3 Ų134.379%0.78970%0.696SS**  trans82.861.3152.6-56.9175.2-173.2-176.32.9119.1
106S42.4Very low56.1Low111 Ų111132.7 Ų132.778%0.77667%0.671SS**  -129.184.2127.1-174.50000108.1
107R49.1Very low58.7Low227 Ų227134.9 Ų134.986%0.85768%0.68SS**  trans-96.814.2-174-131.8-176.4-167.7-172.13.5113.2
108N48Very low61.3Low162 Ų162131.4 Ų131.487%0.86667%0.665SS**SBendtrans-139.410.3-178.8-144.927.9000115.1
109G52.3Low63.7Low46 Ų46131.8 Ų131.847%0.47466%0.656SS.*SBendtrans-71.9128.2157.800000107.8R111G109-R111 PolarHBondContact O-N 2.91Å
110R57.3Low66.3Low205 Ų205123.4 Ų123.477%0.77462%0.62SS**  trans-44.7119169.2-75.4174.8166179.1-3.7107.4R112 E244R110-R112 PolarHBondContact O-N 2.93Å; R110-E244 IonicContact NH1-OE2 2.64Å
111R72.9Confident69Low178 Ų178121.3 Ų121.367%0.67261%0.605SS**EExtended strand (participates in β ladder)trans-62.5114177.3-68.7-178-179.8-174.8-0.9105.4G109 V243 E244G109-R111 PolarHBondContact O-N 2.91Å; R111-V243 HydrophobicContact CB-CG2 4.21Å; R111-V243 CarbonylContact O-C 3.35Å; R111-V243 WeakPolarHBondContact O-CA 3.46Å; R111-V243 WeakPolarHBondContact O-CG1 3.2Å; R111-E244 PolarHBondContact O-N 3.43Å
112R84.8Confident71.6Confident128 Ų128118.3 Ų118.348%0.48357%0.574SS.*EExtended strand (participates in β ladder)trans-79.8138.4171.3-166.2-176.3-178.6-155.12.3107.7R110 D115 E244 D247R110-R112 PolarHBondContact O-N 2.93Å; R112-D115 IonicContact CZ-OD1 2.87Å; R112-D115 IonicContact NH1-OD1 3.97Å; R112-D115 IonicContact NH2-OD1 3.99Å; R112-E244 CarbonylContact C-O 3.52Å; R112-E244 WeakPolarHBondContact CA-O 3.33Å; R112-D247 IonicContact CZ-OD2 3.45Å; R112-D247 IonicContact NH2-OD1 2.7Å; R112-D247 PolarHBondContact NH2-OD1 2.86Å; R112-D247 IonicContact NH2-OD2 2.71Å; R112-D247 PolarHBondContact NH2-OD2 2.86Å
113G84.1Confident74.2Confident17 Ų17111.2 Ų111.218%0.17554%0.538CS..PPolyproline II helixtrans-68.5164.3172.500000110.4V243 E244G113-V243 VanDerWaalsContact N-CG1 3.25Å; G113-E244 PolarHBondContact N-O 2.77Å
114E89.2Confident76.6Confident178 Ų178102.1 Ų102.183%0.83250%0.495SS*.PPolyproline II helixtrans-73.4143.6178.9-62.7-179.7164.100110.7
115D92.1Very high79.1Confident69 Ų69100.2 Ų100.237%0.36947%0.474SS..PPolyproline II helixtrans-74.7140.5174.5-64-18.5000109.7R112 G246 D247R112-D115 IonicContact CZ-OD1 2.87Å; R112-D115 IonicContact NH1-OD1 3.97Å; R112-D115 IonicContact NH2-OD1 3.99Å; D115-G246 WeakPolarHBondContact OD1-CA 3.5Å; D115-D247 CarbonylContact C-O 3.59Å; D115-D247 VanDerWaalsContact CA-O 3.25Å; D115-D247 WeakPolarHBondContact CA-O 3.48Å; D115-D247 PolarHBondContact OD1-N 3.13Å
116M90Very high81.7Confident35 Ų3591.6 Ų91.617%0.17244%0.444CS..EExtended strand (participates in β ladder)trans-97.9121.2175.5-66-168.5-57.700110.4K139 A237 D247 I248 V249M116-K139 HydrophobicContact CE-CB 4.28Å; M116-A237 HydrophobicContact CE-CB 4.13Å; M116-A237 HydrophobicContact CG-CB 4.15Å; M116-D247 PolarHBondContact N-O 3.35Å; M116-I248 HydrophobicContact CB-CG1 4.33Å; M116-I248 HydrophobicContact CE-CD1 3.6Å; M116-I248 HydrophobicContact CE-CG1 3.58Å; M116-I248 CarbonylContact O-C 3.19Å; M116-I248 WeakPolarHBondContact O-CA 3.29Å; M116-V249 PolarHBondContact O-N 3.02Å
117M92.5Very high84.2Confident142 Ų14286.3 Ų86.370%0.741%0.407SS*.EExtended strand (participates in β ladder)trans-96.6124.4175.5-59.7-172.6-149.600110.6V249M117-V249 WeakPolarHBondContact CA-O 3.19Å
118H92Very high86.5Confident62 Ų6276 Ų7629%0.28737%0.368SS..EExtended strand (participates in β ladder)trans-124.3122.5176.8-74.7-74.1000111.3L120 V249 L250 L251H118-L120 PolarHBondContact O-N 2.99Å; H118-V249 PolarHBondContact N-O 3.45Å; H118-L250 HydrophobicContact CB-CD2 3.68Å; H118-L250 CarbonylContact O-C 3.58Å; H118-L250 VanDerWaalsContact O-CA 3.26Å; H118-L250 WeakPolarHBondContact O-CA 3.5Å; H118-L251 PolarHBondContact O-N 2.9Å
119P95Very high88.8Confident79 Ų7971.6 Ų71.651%0.51334%0.344SS..EExtended strand (participates in β ladder)trans-71.4125173.528-32000110.6L251 Q253P119-L251 WeakPolarHBondContact CA-O 3.5Å; P119-Q253 HydrophobicContact CB-CG 4.09Å
120L95.2Very high90.8Very high19 Ų1970.7 Ų70.710%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-105106173.1-177.965.3000109.3H118 V122 T133 V219 V221 L250 L251 L252 Q253H118-L120 PolarHBondContact O-N 2.99Å; L120-V122 HydrophobicContact CD2-CG1 4.27Å; L120-V122 HydrophobicContact CG-CG1 4.1Å; L120-V122 PolarHBondContact O-N 2.89Å; L120-T133 HydrophobicContact CD1-CG2 4.38Å; L120-T133 HydrophobicContact CD2-CG2 4.32Å; L120-V219 HydrophobicContact CD2-CB 4.45Å; L120-V219 HydrophobicContact CD2-CG1 3.77Å; L120-V221 HydrophobicContact CD2-CG2 4.17Å; L120-L250 HydrophobicContact CD2-CD1 4.47Å; L120-L251 PolarHBondContact N-O 2.87Å; L120-L252 HydrophobicContact CB-CD2 4.23Å; L120-L252 HydrophobicContact CD2-CD2 3.85Å; L120-L252 HydrophobicContact CG-CD2 4.34Å; L120-Q253 PolarHBondContact O-N 3.12Å
121K95.8Very high92.6Very high142 Ų14264.6 Ų64.662%0.61731%0.314SS*.EExtended strand (participates in β ladder)trans-73.2118.9177.4-60.1-174.5179.2-175.90110.4Q253 K255K121-Q253 CarbonylContact C-O 3.35Å; K121-Q253 WeakPolarHBondContact CA-O 3.28Å; K121-K255 HydrophobicContact CB-CD 4.5Å; K121-K255 HydrophobicContact CB-CG 4.24Å
122V96.2Very high93.7Very high3 Ų360 Ų602%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-122.8138-178-70.40000109.9L120 D126 L127 V221 L252 Q253 E254 K255L120-V122 HydrophobicContact CD2-CG1 4.27Å; L120-V122 HydrophobicContact CG-CG1 4.1Å; L120-V122 PolarHBondContact O-N 2.89Å; V122-D126 HydrophobicContact CB-CB 4.42Å; V122-L127 HydrophobicContact CB-CD2 4.47Å; V122-L127 HydrophobicContact CB-CG 4.38Å; V122-L127 HydrophobicContact CG2-CD1 3.99Å; V122-L127 HydrophobicContact CG2-CD2 3.88Å; V122-L127 HydrophobicContact CG2-CG 3.96Å; V122-V221 HydrophobicContact CG1-CG1 4.48Å; V122-V221 HydrophobicContact CG1-CG2 4.12Å; V122-L252 HydrophobicContact CG1-CD2 4.05Å; V122-L252 HydrophobicContact CG2-CB 4.38Å; V122-L252 HydrophobicContact CG2-CD2 4.5Å; V122-Q253 PolarHBondContact N-O 2.7Å; V122-E254 WeakPolarHBondContact O-CA 3.34Å; V122-K255 PolarHBondContact O-N 2.86Å
123S96.8Very high94.1Very high24 Ų2456 Ų5617%0.16830%0.296CS..  trans-80.4165.6174.680.50000111.3E125 D126 L127S123-E125 VanDerWaalsContact C-N 3.27Å; S123-E125 WeakPolarHBondContact CB-OE2 3.31Å; S123-E125 PolarHBondContact O-N 3.36Å; S123-E125 PolarHBondContact OG-OE2 3.42Å; S123-D126 PolarHBondContact N-OD2 3.47Å; S123-D126 VanDerWaalsContact N-OD2 3.12Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 2.94Å; S123-D126 VanDerWaalsContact OG-CG 3.25Å; S123-D126 PolarHBondContact OG-N 3.31Å; S123-L127 WeakPolarHBondContact O-CG 3.41Å; S123-L127 PolarHBondContact O-N 3.21Å; S123-L127 VanDerWaalsContact O-N 3.14Å
124L96.2Very high94.6Very high1 Ų162.2 Ų62.21%0.00532%0.318CS..Hα-helixtrans-65.3-33.5178.4-169.560.9000111.7L127 Y128 H257 F260 R262 L267 L289 M317L124-L127 PolarHBondContact O-N 3.32Å; L124-Y128 WeakPolarHBondContact O-CB 3.32Å; L124-Y128 PolarHBondContact O-N 2.88Å; L124-H257 HydrophobicContact CB-CB 4.17Å; L124-H257 HydrophobicContact CD2-CB 4.09Å; L124-F260 HydrophobicContact CD2-CB 3.75Å; L124-R262 HydrophobicContact CD1-CB 3.98Å; L124-R262 HydrophobicContact CD1-CG 4.31Å; L124-L267 HydrophobicContact CD2-CD2 3.92Å; L124-L289 HydrophobicContact CB-CD2 4.14Å; L124-L289 HydrophobicContact CD2-CD1 3.98Å; L124-L289 HydrophobicContact CD2-CD2 3.92Å; L124-L289 HydrophobicContact CG-CD1 3.74Å; L124-L289 HydrophobicContact CG-CD2 3.9Å; L124-M317 HydrophobicContact CD1-CE 3.69Å; L124-M317 HydrophobicContact CD1-SD 3.66Å; L124-M317 HydrophobicContact CG-SD 4.16Å
125E96.7Very high94.7Very high68 Ų6855.8 Ų55.832%0.31829%0.289SS..Hα-helixtrans-66-38.6173-53.386.7161.800112.1S123 L127 Y128 N129 H257 L289S123-E125 VanDerWaalsContact C-N 3.27Å; S123-E125 WeakPolarHBondContact CB-OE2 3.31Å; S123-E125 PolarHBondContact O-N 3.36Å; S123-E125 PolarHBondContact OG-OE2 3.42Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 2.95Å; E125-Y128 PolarHBondContact O-N 2.99Å; E125-N129 WeakPolarHBondContact O-CB 3.43Å; E125-N129 PolarHBondContact O-N 2.87Å; E125-N129 PolarHBondContact O-ND2 3.28Å; E125-H257 IonicContact OE1-CD2 3.78Å; E125-H257 PolarHBondContact OE1-CD2 2.98Å; E125-H257 VanDerWaalsContact OE1-CD2 3.32Å; E125-H257 IonicContact OE1-NE2 3.91Å; E125-H257 PolarHBondContact OE1-NE2 3.18Å; E125-L289 HydrophobicContact CG-CB 4.48Å; E125-L289 HydrophobicContact CG-CD2 3.95Å
126D96.4Very high94.7Very high28 Ų2858.9 Ų58.915%0.1530%0.302CS..Hα-helixtrans-62-40.6174.9-64.1-28.9000110.1V122 S123 G130 K131V122-D126 HydrophobicContact CB-CB 4.42Å; S123-D126 PolarHBondContact N-OD2 3.47Å; S123-D126 VanDerWaalsContact N-OD2 3.12Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 2.94Å; S123-D126 VanDerWaalsContact OG-CG 3.25Å; S123-D126 PolarHBondContact OG-N 3.31Å; D126-G130 CarbonylContact O-C 3.55Å; D126-G130 WeakPolarHBondContact O-CA 3.32Å; D126-G130 PolarHBondContact O-N 3.23Å; D126-K131 HydrophobicContact CB-CB 4.11Å; D126-K131 HydrophobicContact CB-CD 3.83Å; D126-K131 WeakPolarHBondContact OD1-CD 3.36Å; D126-K131 IonicContact OD1-NZ 2.77Å; D126-K131 PolarHBondContact OD1-NZ 3.45Å; D126-K131 WeakPolarHBondContact OD2-CD 3.32Å; D126-K131 IonicContact OD2-NZ 4Å; D126-K131 PolarHBondContact OD2-NZ 3.41Å
127L96.4Very high94.7Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-72.9-28.6178.4-67.6170.6000112.9V122 S123 L124 E125 V221 K223 G224 M225 L252 E254 M317V122-L127 HydrophobicContact CB-CD2 4.47Å; V122-L127 HydrophobicContact CB-CG 4.38Å; V122-L127 HydrophobicContact CG2-CD1 3.99Å; V122-L127 HydrophobicContact CG2-CD2 3.88Å; V122-L127 HydrophobicContact CG2-CG 3.96Å; S123-L127 WeakPolarHBondContact O-CG 3.41Å; S123-L127 PolarHBondContact O-N 3.21Å; S123-L127 VanDerWaalsContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.32Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 2.95Å; L127-V221 HydrophobicContact CD2-CG1 3.84Å; L127-K223 WeakPolarHBondContact O-CA 3.28Å; L127-G224 PolarHBondContact O-N 2.78Å; L127-M225 HydrophobicContact CD2-CB 3.98Å; L127-L252 HydrophobicContact CD2-CD1 4.38Å; L127-E254 HydrophobicContact CD1-CB 4.05Å; L127-E254 HydrophobicContact CD1-CG 3.76Å; L127-E254 WeakPolarHBondContact CD1-OE2 3.26Å; L127-M317 HydrophobicContact CB-CE 3.71Å
128Y97Very high94.7Very high11 Ų1154.7 Ų54.74%0.04329%0.288CS..Hα-helixtrans-79.7-47.5178-175-81000112L124 E125 K223 H288 L289 D290 G316 M317 P318 K326L124-Y128 WeakPolarHBondContact O-CB 3.32Å; L124-Y128 PolarHBondContact O-N 2.88Å; E125-Y128 PolarHBondContact O-N 2.99Å; Y128-K223 WeakPolarHBondContact O-CG 3.33Å; Y128-H288 AromaticContact CE2-CE1 3.38Å; Y128-H288 WeakPolarHBondContact CE2-CE1 3.37Å; Y128-H288 AromaticContact CE2-ND1 3.87Å; Y128-H288 AromaticContact CZ-CE1 3.67Å; Y128-H288 AromaticContact CZ-ND1 3.75Å; Y128-L289 HydrophobicContact CD1-CB 4.03Å; Y128-L289 HydrophobicContact CD2-CB 3.97Å; Y128-L289 HydrophobicContact CD2-CD1 3.71Å; Y128-L289 HydrophobicContact CD2-CG 4.47Å; Y128-L289 HydrophobicContact CG-CB 3.65Å; Y128-L289 HydrophobicContact CG-CD1 4.02Å; Y128-D290 HydrophobicContact CD1-CB 4.15Å; Y128-D290 HydrophobicContact CE1-CB 3.6Å; Y128-D290 WeakPolarHBondContact CE1-OD2 3.36Å; Y128-D290 PolarHBondContact OH-OD2 2.93Å; Y128-G316 WeakPolarHBondContact CE2-O 3.45Å; Y128-M317 HydrophobicContact CD2-SD 3.94Å; Y128-P318 VanDerWaalsContact CD2-CD 3.44Å; Y128-P318 HydrophobicContact CD2-CG 4.39Å; Y128-K326 PolarHBondContact OH-NZ 2.96Å
129N95.6Very high94.7Very high68 Ų6852.3 Ų52.336%0.36428%0.277SS..Hα-helixtrans-88.6-18.3-175.5-63.1-61.1000113.3E125 K223 L289 D290E125-N129 WeakPolarHBondContact O-CB 3.43Å; E125-N129 PolarHBondContact O-N 2.87Å; E125-N129 PolarHBondContact O-ND2 3.28Å; N129-K223 WeakPolarHBondContact O-CE 3.28Å; N129-L289 PolarHBondContact ND2-O 2.79Å; N129-D290 WeakPolarHBondContact OD1-CA 3.46Å
130G95Very high94.6Very high27 Ų2750.6 Ų50.628%0.27826%0.264SS..  trans78.2151.2-166.400000111.1D126 V221D126-G130 CarbonylContact O-C 3.55Å; D126-G130 WeakPolarHBondContact O-CA 3.32Å; D126-G130 PolarHBondContact O-N 3.23Å; G130-V221 CarbonylContact C-O 3.53Å; G130-V221 WeakPolarHBondContact CA-O 3.25Å
131K95.1Very high94.5Very high78 Ų7850.3 Ų50.334%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-148.4136.4-177.8176.9164.4178.6172.90111.6D126 V221D126-K131 HydrophobicContact CB-CB 4.11Å; D126-K131 HydrophobicContact CB-CD 3.83Å; D126-K131 WeakPolarHBondContact OD1-CD 3.36Å; D126-K131 IonicContact OD1-NZ 2.77Å; D126-K131 PolarHBondContact OD1-NZ 3.45Å; D126-K131 WeakPolarHBondContact OD2-CD 3.32Å; D126-K131 IonicContact OD2-NZ 4Å; D126-K131 PolarHBondContact OD2-NZ 3.41Å; K131-V221 HydrophobicContact CB-CB 4.42Å; K131-V221 PolarHBondContact N-O 3.14Å; K131-V221 PolarHBondContact O-N 3.37Å
132T95.6Very high94.4Very high81 Ų8146.5 Ų46.550%0.49725%0.249SC..EExtended strand (participates in β ladder)trans-104.2121.9165.6-590000108.4E218 V219 H220T132-E218 HydrophobicContact CG2-CG 3.63Å; T132-E218 WeakPolarHBondContact CG2-OE1 3.43Å; T132-V219 WeakPolarHBondContact CA-O 3.44Å; T132-H220 VanDerWaalsContact CG2-CE1 3.47Å; T132-H220 WeakPolarHBondContact CG2-CE1 3.33Å; T132-H220 WeakPolarHBondContact CG2-ND1 3.46Å; T132-H220 PolarHBondContact OG1-ND1 3.31Å
133T93.4Very high94.2Very high44 Ų4446.4 Ų46.427%0.2725%0.248SC..EExtended strand (participates in β ladder)trans-129.3148.7179.5-170.30000111L120 V219L120-T133 HydrophobicContact CD1-CG2 4.38Å; L120-T133 HydrophobicContact CD2-CG2 4.32Å; T133-V219 HydrophobicContact CG2-CB 4.01Å; T133-V219 PolarHBondContact N-O 3.23Å; T133-V219 PolarHBondContact O-N 2.99Å
134K93.8Very high94Very high148 Ų14849.3 Ų49.364%0.64327%0.268SS*.EExtended strand (participates in β ladder)trans-101.9115.8177.7-70.1-176.9-179.7-177.30108.8I216 L217K134-I216 HydrophobicContact CB-CG2 3.75Å; K134-I216 HydrophobicContact CD-CG2 4.2Å; K134-I216 HydrophobicContact CG-CG2 4.18Å; K134-L217 CarbonylContact C-O 3.55Å; K134-L217 WeakPolarHBondContact CA-O 3.2Å
135L91.8Very high93.8Very high42 Ų4252.5 Ų52.522%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-99.4121.4177.7-175.466.7000109.4L137 I216 L217 V219 L250L135-L137 HydrophobicContact CD2-CD1 3.94Å; L135-L137 HydrophobicContact CD2-CD2 3.94Å; L135-L137 HydrophobicContact CD2-CG 3.98Å; L135-L137 HydrophobicContact CG-CD1 4.43Å; L135-L137 HydrophobicContact CG-CD2 4Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L135-I216 WeakPolarHBondContact O-CA 3.46Å; L135-L217 PolarHBondContact N-O 2.85Å; L135-L217 PolarHBondContact O-N 3.07Å; L135-V219 HydrophobicContact CB-CG2 4.07Å; L135-L250 HydrophobicContact CD2-CD1 3.97Å; L135-L250 HydrophobicContact CD2-CD2 3.58Å; L135-L250 HydrophobicContact CD2-CG 4.46Å
136Q92.3Very high93.5Very high135 Ų13549.8 Ų49.863%0.63128%0.284SS*.EExtended strand (participates in β ladder)trans-89.3120.3173.4-60.5-170.1-30.500109.3V214 I216Q136-V214 HydrophobicContact CB-CG1 4.26Å; Q136-I216 HydrophobicContact CG-CG1 4.17Å
137L90.7Very high93.1Very high15 Ų1553 Ų538%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-122134.8177.3-64.6176.9000109.7L135 V214 K215 L217 I248L135-L137 HydrophobicContact CD2-CD1 3.94Å; L135-L137 HydrophobicContact CD2-CD2 3.94Å; L135-L137 HydrophobicContact CD2-CG 3.98Å; L135-L137 HydrophobicContact CG-CD1 4.43Å; L135-L137 HydrophobicContact CG-CD2 4Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L137-V214 CarbonylContact O-C 3.55Å; L137-V214 WeakPolarHBondContact O-CA 3.19Å; L137-K215 PolarHBondContact N-O 2.82Å; L137-K215 PolarHBondContact O-N 3.21Å; L137-L217 HydrophobicContact CD1-CD1 3.72Å; L137-I248 HydrophobicContact CD1-CD1 3.78Å; L137-I248 HydrophobicContact CD1-CG2 3.83Å
138S91.4Very high92.7Very high74 Ų7453.3 Ų53.352%0.51731%0.311SS..EExtended strand (participates in β ladder)trans-92122.3170.1-174.50000108.8E213S138-E213 WeakPolarHBondContact CA-O 3.35Å
139K91.4Very high92.2Very high12 Ų1256.9 Ų56.95%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-130157178.670.7177.7-169.3171.20111.7M116 V141 K212 E213 E236 D238M116-K139 HydrophobicContact CE-CB 4.28Å; K139-V141 HydrophobicContact CD-CG1 4.39Å; K139-V141 HydrophobicContact CG-CG1 4.02Å; K139-K212 WeakPolarHBondContact O-CA 3.47Å; K139-E213 PolarHBondContact N-O 3.47Å; K139-E213 PolarHBondContact O-N 3.47Å; K139-E236 WeakPolarHBondContact CD-O 3.32Å; K139-E236 PolarHBondContact NZ-O 3.36Å; K139-E236 IonicContact NZ-OE2 3.89Å; K139-E236 PolarHBondContact NZ-OE2 3.23Å; K139-D238 VanDerWaalsContact CA-OD1 3.31Å; K139-D238 WeakPolarHBondContact CA-OD1 3.23Å; K139-D238 WeakPolarHBondContact CB-OD1 3.41Å
140N93.6Very high91.8Very high43 Ų4353.6 Ų53.623%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-78.5124.6169.7-65.7-52.1000109.3V210 I211 D238 Q239N140-V210 HydrophobicContact CB-CB 4.23Å; N140-V210 HydrophobicContact CB-CG2 4.27Å; N140-I211 WeakPolarHBondContact CA-O 3.36Å; N140-D238 HydrophobicContact CB-CB 4.24Å; N140-D238 PolarHBondContact N-OD1 3.2Å; N140-D238 PolarHBondContact ND2-OD2 3.01Å; N140-Q239 PolarHBondContact O-N 3.1Å
141V93.7Very high91.5Very high13 Ų1352.6 Ų52.68%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-117.7153.1170.8-60.60000109.4K139 C143 V210 I211 E213K139-V141 HydrophobicContact CD-CG1 4.39Å; K139-V141 HydrophobicContact CG-CG1 4.02Å; V141-C143 PolarHBondContact O-N 2.91Å; V141-V210 CarbonylContact O-C 3.58Å; V141-V210 WeakPolarHBondContact O-CA 3.09Å; V141-V210 WeakPolarHBondContact O-CB 3.39Å; V141-I211 HydrophobicContact CG2-CD1 4.1Å; V141-I211 HydrophobicContact CG2-CG1 3.5Å; V141-I211 VanDerWaalsContact CG2-CG1 3.5Å; V141-I211 PolarHBondContact N-O 2.97Å; V141-I211 PolarHBondContact O-N 2.92Å; V141-E213 HydrophobicContact CG1-CB 4.15Å; V141-E213 HydrophobicContact CG2-CB 3.77Å; V141-E213 WeakPolarHBondContact CG2-OE2 3.37Å
142L93.1Very high91.1Very high62 Ų6255.4 Ų55.433%0.32531%0.312SS..EExtended strand (participates in β ladder)trans-56.6133.6173.5-66.7177.7000109.9S144 V210 Q239 P241L142-S144 PolarHBondContact O-N 3.03Å; L142-V210 HydrophobicContact CD2-CG1 4.37Å; L142-Q239 HydrophobicContact CG-CB 4.14Å; L142-P241 HydrophobicContact CD2-CB 4.41Å; L142-P241 HydrophobicContact CD2-CG 3.89Å
143C93Very high90.4Very high0 Ų056.6 Ų56.60%032%0.324CS..  trans-59.8115.3-178.4176.60000110.1V141 A145 C146 S147 C202 C205 K209 I211V141-C143 PolarHBondContact O-N 2.91Å; C143-A145 PolarHBondContact O-N 3.28Å; C143-C146 VanDerWaalsContact CB-SG 3.58Å; C143-C146 PolarHBondContact O-N 3.46Å; C143-S147 VanDerWaalsContact O-CA 3.32Å; C143-S147 WeakPolarHBondContact O-CA 3.4Å; C143-S147 PolarHBondContact O-N 3.35Å; C143-C202 VanDerWaalsContact SG-SG 3.67Å; C143-C205 HydrophobicContact CB-CB 3.82Å; C143-K209 VanDerWaalsContact CB-O 3.25Å; C143-K209 WeakPolarHBondContact CB-O 3.34Å; C143-K209 PolarHBondContact N-O 2.85Å; C143-I211 HydrophobicContact CB-CG2 4.06Å
144S92Very high89.9Confident85 Ų8557.4 Ų57.459%0.59434%0.341SS*.THydrogen-bonded Turntrans-59.4-22.2-178.570.80000114.2L142 K204L142-S144 PolarHBondContact O-N 3.03Å; S144-K204 PolarHBondContact OG-NZ 3.4Å
145A91.5Very high89.4Confident69 Ų6950.9 Ų50.957%0.5732%0.315SS*.THydrogen-bonded Turntrans-85.7-23.3-177.600000114.1C143 K204C143-A145 PolarHBondContact O-N 3.28Å; A145-K204 HydrophobicContact CB-CB 4.05Å; A145-K204 HydrophobicContact CB-CD 4.15Å
146C90.5Very high89.1Confident11 Ų1150.9 Ų50.97%0.07432%0.316CS..THydrogen-bonded Turntrans-129.46.2179.166.60000113.4C143 G148 Q149 G150 C202 C205C143-C146 VanDerWaalsContact CB-SG 3.58Å; C143-C146 PolarHBondContact O-N 3.46Å; C146-G148 PolarHBondContact O-N 3.32Å; C146-G148 VanDerWaalsContact O-N 3.11Å; C146-Q149 HydrophobicContact CB-CB 4.49Å; C146-Q149 VanDerWaalsContact O-CB 3.3Å; C146-Q149 WeakPolarHBondContact O-CB 3.33Å; C146-Q149 VanDerWaalsContact O-CG 3.32Å; C146-Q149 WeakPolarHBondContact O-CG 3.43Å; C146-Q149 PolarHBondContact O-N 2.81Å; C146-G150 PolarHBondContact SG-N 3.05Å; C146-C202 HydrophobicContact CB-CB 3.94Å; C146-C205 VanDerWaalsContact SG-SG 3.69Å
147S89Confident88.8Confident94 Ų9449.8 Ų49.866%0.65731%0.312SS*.THydrogen-bonded Turntrans47.441-179.3-55.80000113.6C143C143-S147 VanDerWaalsContact O-CA 3.32Å; C143-S147 WeakPolarHBondContact O-CA 3.4Å; C143-S147 PolarHBondContact O-N 3.35Å
148G87.4Confident88.8Confident7 Ų757.4 Ų57.47%0.07234%0.344CS..THydrogen-bonded Turntrans83.25.3179.700000116.1C146 K209 P241C146-G148 PolarHBondContact O-N 3.32Å; C146-G148 VanDerWaalsContact O-N 3.11Å; G148-K209 WeakPolarHBondContact CA-O 3.36Å; G148-K209 WeakPolarHBondContact O-CB 3.34Å; G148-K209 WeakPolarHBondContact O-CD 3.5Å; G148-K209 WeakPolarHBondContact O-CG 3.16Å; G148-P241 WeakPolarHBondContact O-CG 3.49Å
149Q87.1Confident88.7Confident86 Ų8654 Ų5440%0.40232%0.32SS..SBendtrans-79.5-29.6178.6-64.7179.6-0.100113.3C146 G151 V156 K209C146-Q149 HydrophobicContact CB-CB 4.49Å; C146-Q149 VanDerWaalsContact O-CB 3.3Å; C146-Q149 WeakPolarHBondContact O-CB 3.33Å; C146-Q149 VanDerWaalsContact O-CG 3.32Å; C146-Q149 WeakPolarHBondContact O-CG 3.43Å; C146-Q149 PolarHBondContact O-N 2.81Å; Q149-G151 VanDerWaalsContact C-N 3.28Å; Q149-G151 PolarHBondContact O-N 3.15Å; Q149-V156 VanDerWaalsContact O-CG2 3.26Å; Q149-V156 WeakPolarHBondContact O-CG2 3.43Å; Q149-K209 WeakPolarHBondContact O-CE 3.47Å
150G86.5Confident88.7Confident0 Ų058.5 Ų58.50%035%0.353CS..SBendtrans86.3-12.7-178.500000114.4C146 I196 C202 G207C146-G150 PolarHBondContact SG-N 3.05Å; G150-I196 VanDerWaalsContact C-CD1 3.5Å; G150-C202 WeakPolarHBondContact O-CB 3.22Å; G150-C202 PolarHBondContact O-N 3.23Å; G150-G207 WeakPolarHBondContact O-CA 3.36Å
151G88.8Confident88.5Confident5 Ų557.7 Ų57.75%0.05235%0.353CS..BIsolated β-bridgetrans-153.6-167.9177.700000112.4Q149 D200Q149-G151 VanDerWaalsContact C-N 3.28Å; Q149-G151 PolarHBondContact O-N 3.15Å; G151-D200 WeakPolarHBondContact CA-O 3.36Å
152K85.7Confident88.3Confident137 Ų13757.5 Ų57.560%0.59635%0.351SS*.SBendtrans-65.1156.8168.5-64.6176.2-1751640110.5G154 A155 D200K152-G154 PolarHBondContact O-N 3.31Å; K152-A155 HydrophobicContact CB-CB 4.33Å; K152-A155 WeakPolarHBondContact O-CB 3.39Å; K152-A155 PolarHBondContact O-N 3.48Å; K152-D200 PolarHBondContact N-O 3.44Å; K152-D200 IonicContact NZ-OD1 3.86Å
153S82.2Confident88.1Confident107 Ų10764.8 Ų64.875%0.74838%0.375SS*.THydrogen-bonded Turntrans-52.4122.6174-550000111A155S153-A155 VanDerWaalsContact C-N 3.34Å
154G81.5Confident87.7Confident61 Ų6166.5 Ų66.563%0.62939%0.393SS*.THydrogen-bonded Turntrans84.7-5.1-178.400000115.9K152 V156 Q157K152-G154 PolarHBondContact O-N 3.31Å; G154-V156 VanDerWaalsContact C-N 3.25Å; G154-V156 PolarHBondContact O-N 2.7Å; G154-Q157 PolarHBondContact O-NE2 2.79Å
155A83.5Confident87.5Confident11 Ų1171.4 Ų71.49%0.09140%0.398CS..  trans-71.9-20.4177.700000113.7K152 S153 Q157 I196 D200K152-A155 HydrophobicContact CB-CB 4.33Å; K152-A155 WeakPolarHBondContact O-CB 3.39Å; K152-A155 PolarHBondContact O-N 3.48Å; S153-A155 VanDerWaalsContact C-N 3.34Å; A155-Q157 PolarHBondContact O-N 2.87Å; A155-I196 HydrophobicContact CB-CG2 4.2Å; A155-D200 HydrophobicContact CB-CB 3.52Å
156V85.7Confident87.2Confident41 Ų4168.3 Ų68.325%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-77.9116.1-179.7-174.80000109.2Q149 G154 E194 I196Q149-V156 VanDerWaalsContact O-CG2 3.26Å; Q149-V156 WeakPolarHBondContact O-CG2 3.43Å; G154-V156 VanDerWaalsContact C-N 3.25Å; G154-V156 PolarHBondContact O-N 2.7Å; V156-E194 HydrophobicContact CG1-CB 3.74Å; V156-E194 HydrophobicContact CG1-CG 3.85Å; V156-E194 WeakPolarHBondContact CG1-OE2 3.2Å; V156-I196 HydrophobicContact CG2-CD1 3.98Å; V156-I196 HydrophobicContact CG2-CG1 4.12Å
157Q87.4Confident87.2Confident113 Ų11370.2 Ų70.253%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-115.8146.1179.8-62.7-61-39.700110.2G154 A155 C159 E194 V195G154-Q157 PolarHBondContact O-NE2 2.79Å; A155-Q157 PolarHBondContact O-N 2.87Å; Q157-C159 PolarHBondContact O-N 2.94Å; Q157-E194 CarbonylContact O-C 3.49Å; Q157-E194 VanDerWaalsContact O-CA 3.27Å; Q157-E194 WeakPolarHBondContact O-CA 3.46Å; Q157-V195 PolarHBondContact N-O 3.38Å; Q157-V195 PolarHBondContact O-N 2.84Å
158K89.2Confident87.1Confident174 Ų17469.6 Ų69.676%0.75737%0.367SS*.EExtended strand (participates in β ladder)trans-64133.2173.4-70.4-178.9-179.8176.50109.2S160K158-S160 PolarHBondContact O-N 2.81Å; K158-S160 VanDerWaalsContact O-N 3.1Å
159C90.1Very high87Confident2 Ų273.3 Ų73.31%0.01438%0.384CS..  trans-61115.3177.1-176.30000109.8Q157 A161 C162 R163 G164 C189 G193 V195Q157-C159 PolarHBondContact O-N 2.94Å; C159-A161 PolarHBondContact O-N 2.86Å; C159-C162 VanDerWaalsContact CB-SG 3.53Å; C159-R163 CarbonylContact O-C 3.51Å; C159-R163 WeakPolarHBondContact O-CA 3.42Å; C159-R163 PolarHBondContact O-N 3.48Å; C159-G164 PolarHBondContact O-N 3.09Å; C159-G164 VanDerWaalsContact O-N 3.15Å; C159-C189 HydrophobicContact CB-CB 3.79Å; C159-C189 VanDerWaalsContact SG-CB 3.59Å; C159-C189 VanDerWaalsContact SG-SG 3.64Å; C159-G193 WeakPolarHBondContact CB-O 3.38Å; C159-G193 PolarHBondContact N-O 2.8Å; C159-V195 HydrophobicContact CB-CG2 3.75Å
160S91Very high86.7Confident108 Ų10874.7 Ų74.776%0.75539%0.392SS*.THydrogen-bonded Turntrans-62.4-33.4-178.953.60000112.4K158K158-S160 PolarHBondContact O-N 2.81Å; K158-S160 VanDerWaalsContact O-N 3.1Å
161A89.5Confident86.5Confident26 Ų2679.8 Ų79.822%0.21542%0.418CS..THydrogen-bonded Turntrans-68.8-42.4-175.100000116.3C159 R168 D188C159-A161 PolarHBondContact O-N 2.86Å; A161-R168 VanDerWaalsContact CB-CZ 3.44Å; A161-R168 PolarHBondContact O-NE 3.49Å; A161-D188 HydrophobicContact CB-CB 3.74Å; A161-D188 WeakPolarHBondContact CB-OD2 3.02Å
162C90.2Very high86.3Confident8 Ų887 Ų875%0.05444%0.444CS..THydrogen-bonded Turntrans-106.82.1172.664.80000112.2C159 G164 R165 G166 V167 R168 C186C159-C162 VanDerWaalsContact CB-SG 3.53Å; C162-G164 PolarHBondContact O-N 2.81Å; C162-R165 HydrophobicContact CB-CB 4.38Å; C162-R165 VanDerWaalsContact O-CB 3.23Å; C162-R165 WeakPolarHBondContact O-CB 3.27Å; C162-R165 VanDerWaalsContact O-CG 3.28Å; C162-R165 WeakPolarHBondContact O-CG 3.43Å; C162-R165 PolarHBondContact O-N 3.16Å; C162-G166 PolarHBondContact SG-N 2.8Å; C162-V167 WeakPolarHBondContact CB-O 3.38Å; C162-R168 HydrophobicContact CB-CG 4.43Å; C162-C186 HydrophobicContact CB-CB 3.73Å
163R88.3Confident86.1Confident216 Ų21688 Ų8882%0.81545%0.451SS*.THydrogen-bonded Turntrans50.841.7-173.8-56.6-177.9-175.3-178.41.7112.6C159C159-R163 CarbonylContact O-C 3.51Å; C159-R163 WeakPolarHBondContact O-CA 3.42Å; C159-R163 PolarHBondContact O-N 3.48Å
164G85.3Confident86.2Confident36 Ų3687.2 Ų87.237%0.37144%0.438SS..THydrogen-bonded Turntrans81.15.6-178.600000116C159 C162 G193C159-G164 PolarHBondContact O-N 3.09Å; C159-G164 VanDerWaalsContact O-N 3.15Å; C162-G164 PolarHBondContact O-N 2.81Å; G164-G193 WeakPolarHBondContact CA-O 3.41Å
165R86.5Confident86.3Confident187 Ų18786.3 Ų86.371%0.70642%0.424SS*.SBendtrans-83.1-15.1-178.1-65179.9-178.1-172.5-0.1114.7C162 V167C162-R165 HydrophobicContact CB-CB 4.38Å; C162-R165 VanDerWaalsContact O-CB 3.23Å; C162-R165 WeakPolarHBondContact O-CB 3.27Å; C162-R165 VanDerWaalsContact O-CG 3.28Å; C162-R165 WeakPolarHBondContact O-CG 3.43Å; C162-R165 PolarHBondContact O-N 3.16Å; R165-V167 HydrophobicContact CB-CG2 4.37Å; R165-V167 PolarHBondContact O-N 3.05Å
166G85.7Confident86.3Confident4 Ų492.5 Ų92.54%0.04146%0.464CS..SBendtrans71.3-20-172.600000114.7C162 C186 G191C162-G166 PolarHBondContact SG-N 2.8Å; G166-C186 WeakPolarHBondContact O-CB 3.45Å; G166-C186 PolarHBondContact O-N 3.48Å; G166-G191 WeakPolarHBondContact CA-O 3.2Å; G166-G191 WeakPolarHBondContact O-CA 3.38Å
167V91.3Very high86.3Confident52 Ų5294.9 Ų94.932%0.31550%0.496SS..EExtended strand (participates in β ladder)trans-120.4146.9178.9-64.60000112C162 R165 S184C162-V167 WeakPolarHBondContact CB-O 3.38Å; R165-V167 HydrophobicContact CB-CG2 4.37Å; R165-V167 PolarHBondContact O-N 3.05Å; V167-S184 CarbonylContact C-O 3.6Å; V167-S184 WeakPolarHBondContact CA-O 3.37Å
168R87Confident86Confident81 Ų8194.6 Ų94.631%0.30650%0.497SS..EExtended strand (participates in β ladder)trans-108.9138.4169.5-78178.7159.3160.1-9.2108.6A161 C162 S184 C186 S187 D188A161-R168 VanDerWaalsContact CB-CZ 3.44Å; A161-R168 PolarHBondContact O-NE 3.49Å; C162-R168 HydrophobicContact CB-CG 4.43Å; R168-S184 PolarHBondContact N-O 3.14Å; R168-S184 PolarHBondContact O-N 3Å; R168-S184 PolarHBondContact O-OG 2.86Å; R168-C186 HydrophobicContact CG-CB 4.19Å; R168-S187 PolarHBondContact NH1-OG 3.46Å; R168-D188 IonicContact CZ-OD1 3.34Å; R168-D188 IonicContact CZ-OD2 3.66Å; R168-D188 IonicContact NH1-OD1 3.26Å; R168-D188 PolarHBondContact NH1-OD1 3.02Å; R168-D188 VanDerWaalsContact NH1-OD1 3.07Å; R168-D188 IonicContact NH1-OD2 2.86Å; R168-D188 PolarHBondContact NH1-OD2 3.23Å; R168-D188 IonicContact NH2-OD1 2.75Å; R168-D188 IonicContact NH2-OD2 3.28Å; R168-D188 PolarHBondContact NH2-OD2 2.69Å
169I84.8Confident85.7Confident84 Ų8490 Ų9043%0.43148%0.483SS..EExtended strand (participates in β ladder)trans-93.4112.6174.2-57.8174.2000106.6Q181I169-Q181 HydrophobicContact CG2-CB 4.04Å; I169-Q181 HydrophobicContact CG2-CG 4.38Å
170M80.9Confident85.6Confident116 Ų11694.2 Ų94.257%0.57150%0.503SS*.EExtended strand (participates in β ladder)trans-97.4126.5171.2-78.1-161.4-78.800109.3M182 S184M170-M182 PolarHBondContact N-O 3.3Å; M170-M182 PolarHBondContact O-N 2.91Å; M170-S184 WeakPolarHBondContact CE-OG 3.36Å
171I82.7Confident85.3Confident106 Ų10695.3 Ų95.354%0.54450%0.496SS..EExtended strand (participates in β ladder)trans-95.5115176.8-53.6-175.4000107.7V179 Q180 Q181I171-V179 HydrophobicContact CG2-CB 3.55Å; I171-V179 HydrophobicContact CG2-CG1 3.7Å; I171-V179 HydrophobicContact CG2-CG2 4.24Å; I171-Q180 WeakPolarHBondContact CA-O 3.41Å; I171-Q181 HydrophobicContact CG1-CG 4.29Å
172R84.1Confident85Confident156 Ų15698.4 Ų98.459%0.58951%0.507SS*.EExtended strand (participates in β ladder)trans-101.8117.8174.6-174.5177-178.71770109.2L174 Q180R172-L174 PolarHBondContact O-N 2.85Å; R172-Q180 PolarHBondContact N-O 3.03Å; R172-Q180 PolarHBondContact O-N 3.08Å
173Q81.7Confident84.9Confident159 Ų159105.4 Ų105.474%0.74354%0.539SS*.EExtended strand (participates in β ladder)trans-71.4124.5170.7-82.9176.6-6.700109.5V179Q173-V179 HydrophobicContact CG-CG1 3.52Å
174L83.8Confident85Confident90 Ų9096.7 Ų96.747%0.47151%0.511SS..EExtended strand (participates in β ladder)trans-98.4-33.4176.2-69.8173.4000111.6R172 M178 Q180R172-L174 PolarHBondContact O-N 2.85Å; L174-M178 HydrophobicContact CB-CE 3.76Å; L174-M178 HydrophobicContact CD1-CE 3.91Å; L174-M178 PolarHBondContact N-O 3.49Å; L174-Q180 HydrophobicContact CD1-CB 3.75Å; L174-Q180 HydrophobicContact CD1-CG 4.49Å; L174-Q180 HydrophobicContact CG-CB 4.15Å
175A82.6Confident85.3Confident42 Ų4299.6 Ų99.635%0.34752%0.521SS..EExtended strand (participates in β ladder)trans-154.5164.3176.700000109.9G177 M178A175-G177 PolarHBondContact O-N 3.36Å; A175-G177 VanDerWaalsContact O-N 3.08Å; A175-M178 HydrophobicContact CB-CB 4Å; A175-M178 PolarHBondContact N-O 3.11Å; A175-M178 PolarHBondContact O-N 3.11Å
176P84.6Confident85.5Confident141 Ų14190.7 Ų90.792%0.91649%0.488SS*.THydrogen-bonded Turntrans-52.5117.6169.2-24.734.6000110.4
177G84.6Confident85.7Confident91 Ų9194 Ų9494%0.93851%0.51SS*.THydrogen-bonded Turntrans84.7-7-175.500000116.2A175A175-G177 PolarHBondContact O-N 3.36Å; A175-G177 VanDerWaalsContact O-N 3.08Å
178M81.1Confident85.6Confident108 Ų10895.4 Ų95.453%0.53252%0.516SS..EExtended strand (participates in β ladder)trans-116.8109.7-178.9-153.8171.683.200111.5L174 A175L174-M178 HydrophobicContact CB-CE 3.76Å; L174-M178 HydrophobicContact CD1-CE 3.91Å; L174-M178 PolarHBondContact N-O 3.49Å; A175-M178 HydrophobicContact CB-CB 4Å; A175-M178 PolarHBondContact N-O 3.11Å; A175-M178 PolarHBondContact O-N 3.11Å
179V84.8Confident85.6Confident78 Ų7892 Ų9247%0.47350%0.504SS..EExtended strand (participates in β ladder)trans-112.5134.6176.8-73.30000111.1I171 Q173I171-V179 HydrophobicContact CG2-CB 3.55Å; I171-V179 HydrophobicContact CG2-CG1 3.7Å; I171-V179 HydrophobicContact CG2-CG2 4.24Å; Q173-V179 HydrophobicContact CG-CG1 3.52Å
180Q86.2Confident85.6Confident90 Ų9094.2 Ų94.242%0.42152%0.517SS..EExtended strand (participates in β ladder)trans-101.9124.2170.1-172.9179.327.400109.3I171 R172 L174 M182I171-Q180 WeakPolarHBondContact CA-O 3.41Å; R172-Q180 PolarHBondContact N-O 3.03Å; R172-Q180 PolarHBondContact O-N 3.08Å; L174-Q180 HydrophobicContact CD1-CB 3.75Å; L174-Q180 HydrophobicContact CD1-CG 4.49Å; L174-Q180 HydrophobicContact CG-CB 4.15Å; Q180-M182 HydrophobicContact CG-CG 4.3Å
181Q84.6Confident85.7Confident131 Ų13190.4 Ų90.461%0.61251%0.508SS*.EExtended strand (participates in β ladder)trans-87.3115.3170.9-61.5-169.4-100109.1I169 I171I169-Q181 HydrophobicContact CG2-CB 4.04Å; I169-Q181 HydrophobicContact CG2-CG 4.38Å; I171-Q181 HydrophobicContact CG1-CG 4.29Å
182M84.6Confident85.8Confident91 Ų9190.6 Ų90.645%0.44851%0.506SS..EExtended strand (participates in β ladder)trans-103.2130.5172.7-63.9-17868.900109.1M170 Q180M170-M182 PolarHBondContact N-O 3.3Å; M170-M182 PolarHBondContact O-N 2.91Å; Q180-M182 HydrophobicContact CG-CG 4.3Å
183Q87.6Confident85.8Confident154 Ų15483.4 Ų83.472%0.7248%0.48SS*.EExtended strand (participates in β ladder)trans-88.3122.9169.7-61.9-174.119.300108.5
184S90.2Very high86.1Confident34 Ų3479.1 Ų79.124%0.23846%0.461CS..EExtended strand (participates in β ladder)trans-116.9146.917364.80000109.8V167 R168 M170 C186V167-S184 CarbonylContact C-O 3.6Å; V167-S184 WeakPolarHBondContact CA-O 3.37Å; R168-S184 PolarHBondContact N-O 3.14Å; R168-S184 PolarHBondContact O-N 3Å; R168-S184 PolarHBondContact O-OG 2.86Å; M170-S184 WeakPolarHBondContact CE-OG 3.36Å; S184-C186 PolarHBondContact O-N 3.18Å
185V91.4Very high86.4Confident97 Ų9777.1 Ų77.159%0.58845%0.452SS*.EExtended strand (participates in β ladder)trans-57.1134.8170-179.40000108.8S187 N190V185-S187 PolarHBondContact O-N 3.38Å; V185-N190 VanDerWaalsContact CG1-C 3.47Å
186C90.6Very high86.6Confident0 Ų075.7 Ų75.70%044%0.438CS..  trans-67117-179.61790000109.7C162 G166 R168 S184 D188 C189 N190C162-C186 HydrophobicContact CB-CB 3.73Å; G166-C186 WeakPolarHBondContact O-CB 3.45Å; G166-C186 PolarHBondContact O-N 3.48Å; R168-C186 HydrophobicContact CG-CB 4.19Å; S184-C186 PolarHBondContact O-N 3.18Å; C186-D188 PolarHBondContact O-N 3.44Å; C186-D188 VanDerWaalsContact O-N 3.15Å; C186-C189 VanDerWaalsContact CB-SG 3.59Å; C186-C189 PolarHBondContact O-N 2.94Å; C186-N190 VanDerWaalsContact O-CA 3.23Å; C186-N190 WeakPolarHBondContact O-CA 3.17Å; C186-N190 PolarHBondContact O-N 3.36Å
187S90.2Very high86.7Confident74 Ų7473.8 Ų73.852%0.51742%0.42SS..THydrogen-bonded Turntrans-56-28177.451.80000114.4R168 V185 N190R168-S187 PolarHBondContact NH1-OG 3.46Å; V185-S187 PolarHBondContact O-N 3.38Å; S187-N190 PolarHBondContact O-OD1 3.15Å
188D88.5Confident86.8Confident81 Ų8177.3 Ų77.343%0.43341%0.412SS..THydrogen-bonded Turntrans-87.5-21.6-169-56.84.7000112A161 R168 C186A161-D188 HydrophobicContact CB-CB 3.74Å; A161-D188 WeakPolarHBondContact CB-OD2 3.02Å; R168-D188 IonicContact CZ-OD1 3.34Å; R168-D188 IonicContact CZ-OD2 3.66Å; R168-D188 IonicContact NH1-OD1 3.26Å; R168-D188 PolarHBondContact NH1-OD1 3.02Å; R168-D188 VanDerWaalsContact NH1-OD1 3.07Å; R168-D188 IonicContact NH1-OD2 2.86Å; R168-D188 PolarHBondContact NH1-OD2 3.23Å; R168-D188 IonicContact NH2-OD1 2.75Å; R168-D188 IonicContact NH2-OD2 3.28Å; R168-D188 PolarHBondContact NH2-OD2 2.69Å; C186-D188 PolarHBondContact O-N 3.44Å; C186-D188 VanDerWaalsContact O-N 3.15Å
189C87.4Confident87.1Confident8 Ų881.6 Ų81.65%0.05443%0.428CS..THydrogen-bonded Turntrans-124.33.3174.962.80000113.5C159 C186 G191 E192 G193 E194 V195C159-C189 HydrophobicContact CB-CB 3.79Å; C159-C189 VanDerWaalsContact SG-CB 3.59Å; C159-C189 VanDerWaalsContact SG-SG 3.64Å; C186-C189 VanDerWaalsContact CB-SG 3.59Å; C186-C189 PolarHBondContact O-N 2.94Å; C189-G191 PolarHBondContact O-N 2.99Å; C189-G191 VanDerWaalsContact O-N 3.07Å; C189-E192 WeakPolarHBondContact O-CB 3.47Å; C189-E192 PolarHBondContact O-N 3.17Å; C189-G193 PolarHBondContact SG-N 3.02Å; C189-E194 VanDerWaalsContact CB-O 3.29Å; C189-E194 WeakPolarHBondContact CB-O 3.07Å; C189-V195 HydrophobicContact CB-CG2 3.94Å
190N85.9Confident87.3Confident131 Ų13180.1 Ų80.170%0.70142%0.417SS*.THydrogen-bonded Turntrans47.935.2-175.4-62-42.9000114.4V185 C186 S187V185-N190 VanDerWaalsContact CG1-C 3.47Å; C186-N190 VanDerWaalsContact O-CA 3.23Å; C186-N190 WeakPolarHBondContact O-CA 3.17Å; C186-N190 PolarHBondContact O-N 3.36Å; S187-N190 PolarHBondContact O-OD1 3.15Å
191G83Confident87.5Confident37 Ų3781.5 Ų81.538%0.38142%0.419SS..THydrogen-bonded Turntrans94.8-12.9-179.900000115.6G166 C189 G193G166-G191 WeakPolarHBondContact CA-O 3.2Å; G166-G191 WeakPolarHBondContact O-CA 3.38Å; C189-G191 PolarHBondContact O-N 2.99Å; C189-G191 VanDerWaalsContact O-N 3.07Å; G191-G193 VanDerWaalsContact C-N 3.31Å; G191-G193 PolarHBondContact O-N 2.87Å
192E83.8Confident87.8Confident110 Ų11075.9 Ų75.951%0.51439%0.394SS..SBendtrans-72-23.6-175.2-63.8-169.1175.900113.6C189 E194C189-E192 WeakPolarHBondContact O-CB 3.47Å; C189-E192 PolarHBondContact O-N 3.17Å; E192-E194 PolarHBondContact O-N 3.02Å; E192-E194 VanDerWaalsContact O-N 3.16Å
193G84.5Confident88.2Confident4 Ų481.5 Ų81.54%0.04142%0.416CS..SBendtrans75-8.4-174.600000114C159 G164 C189 G191C159-G193 WeakPolarHBondContact CB-O 3.38Å; C159-G193 PolarHBondContact N-O 2.8Å; G164-G193 WeakPolarHBondContact CA-O 3.41Å; C189-G193 PolarHBondContact SG-N 3.02Å; G191-G193 VanDerWaalsContact C-N 3.31Å; G191-G193 PolarHBondContact O-N 2.87Å
194E88.7Confident88.4Confident70 Ų7079.6 Ų79.633%0.32741%0.405SS..EExtended strand (participates in β ladder)trans-120.5152.1176.8-64.8175.4163.700109.8V156 Q157 C189 E192 K209V156-E194 HydrophobicContact CG1-CB 3.74Å; V156-E194 HydrophobicContact CG1-CG 3.85Å; V156-E194 WeakPolarHBondContact CG1-OE2 3.2Å; Q157-E194 CarbonylContact O-C 3.49Å; Q157-E194 VanDerWaalsContact O-CA 3.27Å; Q157-E194 WeakPolarHBondContact O-CA 3.46Å; C189-E194 VanDerWaalsContact CB-O 3.29Å; C189-E194 WeakPolarHBondContact CB-O 3.07Å; E192-E194 PolarHBondContact O-N 3.02Å; E192-E194 VanDerWaalsContact O-N 3.16Å; E194-K209 IonicContact OE2-NZ 2.69Å; E194-K209 PolarHBondContact OE2-NZ 2.98Å
195V89Confident88.4Confident47 Ų4778.3 Ų78.329%0.28540%0.396SS..EExtended strand (participates in β ladder)trans-129.5135.6175.7-177.30000107.6Q157 C159 C189Q157-V195 PolarHBondContact N-O 3.38Å; Q157-V195 PolarHBondContact O-N 2.84Å; C159-V195 HydrophobicContact CB-CG2 3.75Å; C189-V195 HydrophobicContact CB-CG2 3.94Å
196I88.2Confident88.4Confident12 Ų1279.8 Ų79.86%0.06240%0.396CS..EExtended strand (participates in β ladder)trans-118122.9174.9-52.9176000106.9G150 A155 V156 E198 D200 R201G150-I196 VanDerWaalsContact C-CD1 3.5Å; A155-I196 HydrophobicContact CB-CG2 4.2Å; V156-I196 HydrophobicContact CG2-CD1 3.98Å; V156-I196 HydrophobicContact CG2-CG1 4.12Å; I196-E198 PolarHBondContact O-N 3.29Å; I196-D200 HydrophobicContact CG2-CB 4.38Å; I196-R201 HydrophobicContact CB-CG 4.14Å; I196-R201 HydrophobicContact CG2-CG 3.82Å; I196-R201 PolarHBondContact O-NE 3.14Å
197N86.6Confident88.2Confident102 Ų10280.2 Ų80.255%0.54540%0.401SS..  trans-54.4137.2173.7-73.9-27.2000109.7K199 D200 R201N197-K199 PolarHBondContact O-N 3.18Å; N197-K199 VanDerWaalsContact O-N 3.09Å; N197-D200 PolarHBondContact O-N 2.89Å; N197-R201 PolarHBondContact O-N 2.67Å
198E86.1Confident88.1Confident164 Ų16483.1 Ų83.177%0.76640%0.404SS*.G310 helixtrans-53.8-37.5-173.7-169.3174.3-172.600113I196 D200 R201I196-E198 PolarHBondContact O-N 3.29Å; E198-D200 VanDerWaalsContact C-N 3.25Å; E198-D200 PolarHBondContact O-N 2.82Å; E198-R201 PolarHBondContact O-N 3.42Å
199K87Confident88.2Confident199 Ų19980.9 Ų80.987%0.86539%0.391SS*.G310 helixtrans-65.9-24.2178-60.8-178.1-178.1178.90114.2N197N197-K199 PolarHBondContact O-N 3.18Å; N197-K199 VanDerWaalsContact O-N 3.09Å
200D89.8Confident88.5Confident46 Ų4682 Ų8225%0.24640%0.397CS..G310 helixtrans-106.5-1.6-175.2-61.1-51.7000113.2G151 K152 A155 I196 N197 E198G151-D200 WeakPolarHBondContact CA-O 3.36Å; K152-D200 PolarHBondContact N-O 3.44Å; K152-D200 IonicContact NZ-OD1 3.86Å; A155-D200 HydrophobicContact CB-CB 3.52Å; I196-D200 HydrophobicContact CG2-CB 4.38Å; N197-D200 PolarHBondContact O-N 2.89Å; E198-D200 VanDerWaalsContact C-N 3.25Å; E198-D200 PolarHBondContact O-N 2.82Å
201R89.8Confident88.9Confident120 Ų12076.9 Ų76.945%0.45337%0.37SS..BIsolated β-bridgetrans-60.3139.4172.6-69.4-179.3-177.2-175-0.4110I196 N197 E198 K203I196-R201 HydrophobicContact CB-CG 4.14Å; I196-R201 HydrophobicContact CG2-CG 3.82Å; I196-R201 PolarHBondContact O-NE 3.14Å; N197-R201 PolarHBondContact O-N 2.67Å; E198-R201 PolarHBondContact O-N 3.42Å; R201-K203 PolarHBondContact O-N 3.2Å
202C91.5Very high89.4Confident13 Ų1383.2 Ų83.29%0.08839%0.387CS..  trans-62.3125.8175.8174.30000109.4C143 C146 G150 K204 C205 E206C143-C202 VanDerWaalsContact SG-SG 3.67Å; C146-C202 HydrophobicContact CB-CB 3.94Å; G150-C202 WeakPolarHBondContact O-CB 3.22Å; G150-C202 PolarHBondContact O-N 3.23Å; C202-K204 PolarHBondContact O-N 3.32Å; C202-K204 VanDerWaalsContact O-N 3.15Å; C202-C205 VanDerWaalsContact CB-SG 3.53Å; C202-C205 PolarHBondContact O-N 2.92Å; C202-E206 VanDerWaalsContact O-CA 3.22Å; C202-E206 WeakPolarHBondContact O-CA 3.26Å; C202-E206 PolarHBondContact O-N 3.29Å
203K91.5Very high89.8Confident208 Ų20882.8 Ų82.890%0.90439%0.385SS*.THydrogen-bonded Turntrans-60.9-25.6-178.8-62.1-176.5179-176.60114.2R201R201-K203 PolarHBondContact O-N 3.2Å
204K91.7Very high90.3Very high115 Ų11587 Ų8750%0.541%0.409SS..THydrogen-bonded Turntrans-85.6-35.9-175.9-164.9-175.9-178.6-179.50113.6S144 A145 C202 I211S144-K204 PolarHBondContact OG-NZ 3.4Å; A145-K204 HydrophobicContact CB-CB 4.05Å; A145-K204 HydrophobicContact CB-CD 4.15Å; C202-K204 PolarHBondContact O-N 3.32Å; C202-K204 VanDerWaalsContact O-N 3.15Å; K204-I211 HydrophobicContact CD-CD1 4.2Å; K204-I211 HydrophobicContact CD-CG2 4.48Å; K204-I211 VanDerWaalsContact CE-CD1 3.45Å; K204-I211 HydrophobicContact CG-CG2 4.19Å
205C91.8Very high90.4Very high7 Ų786.9 Ų86.95%0.04741%0.408CS..THydrogen-bonded Turntrans-112.7-2.6-179.667.40000113.6C143 C146 C202 G207 K208 K209 V210 I211C143-C205 HydrophobicContact CB-CB 3.82Å; C146-C205 VanDerWaalsContact SG-SG 3.69Å; C202-C205 VanDerWaalsContact CB-SG 3.53Å; C202-C205 PolarHBondContact O-N 2.92Å; C205-G207 PolarHBondContact O-N 3.14Å; C205-G207 VanDerWaalsContact O-N 3.13Å; C205-K208 WeakPolarHBondContact O-CB 3.15Å; C205-K208 VanDerWaalsContact O-CG 3.3Å; C205-K208 WeakPolarHBondContact O-CG 3.33Å; C205-K208 PolarHBondContact O-N 2.94Å; C205-K209 PolarHBondContact SG-N 3.3Å; C205-V210 WeakPolarHBondContact CB-O 3.47Å; C205-I211 HydrophobicContact CB-CG2 3.9Å
206E90Very high90.6Very high127 Ų12789.1 Ų89.159%0.59342%0.417SS*.THydrogen-bonded Turntrans55.230179.5-57175.7162.800114C202C202-E206 VanDerWaalsContact O-CA 3.22Å; C202-E206 WeakPolarHBondContact O-CA 3.26Å; C202-E206 PolarHBondContact O-N 3.29Å
207G86.7Confident90.8Very high9 Ų988.9 Ų88.99%0.09342%0.416CS..THydrogen-bonded Turntrans97.2-16-175.600000114.9G150 C205 K209G150-G207 WeakPolarHBondContact O-CA 3.36Å; C205-G207 PolarHBondContact O-N 3.14Å; C205-G207 VanDerWaalsContact O-N 3.13Å; G207-K209 PolarHBondContact O-N 2.89Å; G207-K209 VanDerWaalsContact O-N 3.09Å
208K88.3Confident91.2Very high135 Ų13588.8 Ų88.859%0.58741%0.412SS*.SBendtrans-70.7-6.2-173.3-61.4173.5-177.4164.90115.2C205 V210C205-K208 WeakPolarHBondContact O-CB 3.15Å; C205-K208 VanDerWaalsContact O-CG 3.3Å; C205-K208 WeakPolarHBondContact O-CG 3.33Å; C205-K208 PolarHBondContact O-N 2.94Å; K208-V210 PolarHBondContact O-N 3.29Å
209K90.6Very high91.6Very high34 Ų3481 Ų8115%0.14838%0.376CS..SBendtrans66.5-22.9-180-54.2176.9178.2175.80115.5C143 G148 Q149 E194 C205 G207 P241C143-K209 VanDerWaalsContact CB-O 3.25Å; C143-K209 WeakPolarHBondContact CB-O 3.34Å; C143-K209 PolarHBondContact N-O 2.85Å; G148-K209 WeakPolarHBondContact CA-O 3.36Å; G148-K209 WeakPolarHBondContact O-CB 3.34Å; G148-K209 WeakPolarHBondContact O-CD 3.5Å; G148-K209 WeakPolarHBondContact O-CG 3.16Å; Q149-K209 WeakPolarHBondContact O-CE 3.47Å; E194-K209 IonicContact OE2-NZ 2.69Å; E194-K209 PolarHBondContact OE2-NZ 2.98Å; C205-K209 PolarHBondContact SG-N 3.3Å; G207-K209 PolarHBondContact O-N 2.89Å; G207-K209 VanDerWaalsContact O-N 3.09Å; K209-P241 HydrophobicContact CB-CG 3.6Å; K209-P241 HydrophobicContact CD-CG 3.86Å; K209-P241 HydrophobicContact CG-CG 4.29Å
210V93.8Very high92Very high32 Ų3276.2 Ų76.219%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-118.6158.4177.4-62.50000111.8N140 V141 L142 C205 K208 Q239N140-V210 HydrophobicContact CB-CB 4.23Å; N140-V210 HydrophobicContact CB-CG2 4.27Å; V141-V210 CarbonylContact O-C 3.58Å; V141-V210 WeakPolarHBondContact O-CA 3.09Å; V141-V210 WeakPolarHBondContact O-CB 3.39Å; L142-V210 HydrophobicContact CD2-CG1 4.37Å; C205-V210 WeakPolarHBondContact CB-O 3.47Å; K208-V210 PolarHBondContact O-N 3.29Å; V210-Q239 WeakPolarHBondContact CG1-O 3.35Å
211I94.1Very high92.3Very high24 Ų2474.2 Ų74.212%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-127.1147.4171.560.5177.8000109.1N140 V141 C143 K204 C205N140-I211 WeakPolarHBondContact CA-O 3.36Å; V141-I211 HydrophobicContact CG2-CD1 4.1Å; V141-I211 HydrophobicContact CG2-CG1 3.5Å; V141-I211 VanDerWaalsContact CG2-CG1 3.5Å; V141-I211 PolarHBondContact N-O 2.97Å; V141-I211 PolarHBondContact O-N 2.92Å; C143-I211 HydrophobicContact CB-CG2 4.06Å; K204-I211 HydrophobicContact CD-CD1 4.2Å; K204-I211 HydrophobicContact CD-CG2 4.48Å; K204-I211 VanDerWaalsContact CE-CD1 3.45Å; K204-I211 HydrophobicContact CG-CG2 4.19Å; C205-I211 HydrophobicContact CB-CG2 3.9Å
212K93.8Very high92.6Very high170 Ų17072.3 Ų72.374%0.73934%0.344SS*.EExtended strand (participates in β ladder)trans-77.8122.7171.4-70.5-172.4176.7-172.20109.2K139K139-K212 WeakPolarHBondContact O-CA 3.47Å
213E92.9Very high92.8Very high101 Ų10176.6 Ų76.647%0.47236%0.362SS..EExtended strand (participates in β ladder)trans-120.5140.6175-171.8172.5156.900109.5S138 K139 V141S138-E213 WeakPolarHBondContact CA-O 3.35Å; K139-E213 PolarHBondContact N-O 3.47Å; K139-E213 PolarHBondContact O-N 3.47Å; V141-E213 HydrophobicContact CG1-CB 4.15Å; V141-E213 HydrophobicContact CG2-CB 3.77Å; V141-E213 WeakPolarHBondContact CG2-OE2 3.37Å
214V93.5Very high93Very high91 Ų9166.7 Ų66.755%0.55232%0.318SS*.EExtended strand (participates in β ladder)trans-93114.1174.4-179.60000108Q136 L137Q136-V214 HydrophobicContact CB-CG1 4.26Å; L137-V214 CarbonylContact O-C 3.55Å; L137-V214 WeakPolarHBondContact O-CA 3.19Å
215K91Very high93.2Very high68 Ų6861.4 Ų61.430%0.29630%0.296SS..EExtended strand (participates in β ladder)trans-105.1136.5176.1-174.1165-178.9167.30110.2L137 L217 E236L137-K215 PolarHBondContact N-O 2.82Å; L137-K215 PolarHBondContact O-N 3.21Å; K215-L217 HydrophobicContact CD-CD2 4.09Å; K215-L217 HydrophobicContact CG-CD2 4.12Å; K215-E236 WeakPolarHBondContact CD-OE2 3.29Å; K215-E236 VanDerWaalsContact CE-OE2 3.3Å; K215-E236 WeakPolarHBondContact CE-OE2 3.26Å; K215-E236 IonicContact NZ-OE1 3.07Å; K215-E236 PolarHBondContact NZ-OE1 2.85Å; K215-E236 IonicContact NZ-OE2 3.95Å; K215-E236 PolarHBondContact NZ-OE2 3.5Å
216I93.1Very high93.4Very high94 Ų9466.2 Ų66.248%0.48232%0.316SS..EExtended strand (participates in β ladder)trans-96.3116.8173.3-49.1-172.3000107.7K134 L135 Q136K134-I216 HydrophobicContact CB-CG2 3.75Å; K134-I216 HydrophobicContact CD-CG2 4.2Å; K134-I216 HydrophobicContact CG-CG2 4.18Å; L135-I216 WeakPolarHBondContact O-CA 3.46Å; Q136-I216 HydrophobicContact CG-CG1 4.17Å
217L92.5Very high93.7Very high8 Ų865.9 Ų65.94%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-99128.8172.6-61-177.7000109.5K134 L135 L137 K215 F233 I248K134-L217 CarbonylContact C-O 3.55Å; K134-L217 WeakPolarHBondContact CA-O 3.2Å; L135-L217 PolarHBondContact N-O 2.85Å; L135-L217 PolarHBondContact O-N 3.07Å; L137-L217 HydrophobicContact CD1-CD1 3.72Å; K215-L217 HydrophobicContact CD-CD2 4.09Å; K215-L217 HydrophobicContact CG-CD2 4.12Å; L217-F233 HydrophobicContact CB-CE1 4.36Å; L217-F233 HydrophobicContact CB-CZ 4.38Å; L217-F233 HydrophobicContact CD1-CD1 4.39Å; L217-F233 HydrophobicContact CD1-CD2 4.12Å; L217-F233 HydrophobicContact CD1-CE2 4.45Å; L217-F233 HydrophobicContact CD1-CG 4.1Å; L217-F233 HydrophobicContact CD2-CD1 4.36Å; L217-I248 HydrophobicContact CD1-CD1 3.93Å; L217-I248 HydrophobicContact CD1-CG2 4.15Å
218E95.1Very high94.1Very high99 Ų9967.1 Ų67.146%0.46333%0.326SS..EExtended strand (participates in β ladder)trans-85.6118.1170-171.6167.9179.500108.9T132 H220 F233T132-E218 HydrophobicContact CG2-CG 3.63Å; T132-E218 WeakPolarHBondContact CG2-OE1 3.43Å; E218-H220 IonicContact OE1-CE1 2.81Å; E218-H220 PolarHBondContact OE1-CE1 3.44Å; E218-H220 IonicContact OE1-NE2 3.69Å; E218-F233 WeakPolarHBondContact O-CZ 3.33Å
219V95.4Very high94.4Very high0 Ų062.7 Ų62.70%031%0.308CS..EExtended strand (participates in β ladder)trans-110.1120.4-176-1710000108.5L120 T132 T133 L135 I231 F233 L250L120-V219 HydrophobicContact CD2-CB 4.45Å; L120-V219 HydrophobicContact CD2-CG1 3.77Å; T132-V219 WeakPolarHBondContact CA-O 3.44Å; T133-V219 HydrophobicContact CG2-CB 4.01Å; T133-V219 PolarHBondContact N-O 3.23Å; T133-V219 PolarHBondContact O-N 2.99Å; L135-V219 HydrophobicContact CB-CG2 4.07Å; V219-I231 HydrophobicContact CG1-CD1 3.74Å; V219-I231 HydrophobicContact CG1-CG2 4.48Å; V219-F233 HydrophobicContact CB-CZ 4.48Å; V219-F233 HydrophobicContact CG2-CE2 4.2Å; V219-F233 HydrophobicContact CG2-CZ 3.98Å; V219-L250 HydrophobicContact CB-CD1 4.13Å; V219-L250 HydrophobicContact CG1-CD1 3.64Å; V219-L250 HydrophobicContact CG2-CD1 3.32Å
220H95.5Very high94.7Very high100 Ų10069.2 Ų69.246%0.46333%0.332SS..EExtended strand (participates in β ladder)trans-97.4117.6173.4-60-66.7000109.6T132 E218T132-H220 VanDerWaalsContact CG2-CE1 3.47Å; T132-H220 WeakPolarHBondContact CG2-CE1 3.33Å; T132-H220 WeakPolarHBondContact CG2-ND1 3.46Å; T132-H220 PolarHBondContact OG1-ND1 3.31Å; E218-H220 IonicContact OE1-CE1 2.81Å; E218-H220 PolarHBondContact OE1-CE1 3.44Å; E218-H220 IonicContact OE1-NE2 3.69Å
221V96Very high94.7Very high4 Ų469 Ų692%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-100.3107.9171.1-176.90000106.9L120 V122 L127 G130 K131 M225 L252L120-V221 HydrophobicContact CD2-CG2 4.17Å; V122-V221 HydrophobicContact CG1-CG1 4.48Å; V122-V221 HydrophobicContact CG1-CG2 4.12Å; L127-V221 HydrophobicContact CD2-CG1 3.84Å; G130-V221 CarbonylContact C-O 3.53Å; G130-V221 WeakPolarHBondContact CA-O 3.25Å; K131-V221 HydrophobicContact CB-CB 4.42Å; K131-V221 PolarHBondContact N-O 3.14Å; K131-V221 PolarHBondContact O-N 3.37Å; V221-M225 HydrophobicContact CG1-SD 4.04Å; V221-L252 HydrophobicContact CG1-CD1 4.27Å; V221-L252 HydrophobicContact CG2-CD2 4.22Å
222D95.9Very high94.8Very high79 Ų7971.2 Ų71.242%0.42234%0.344SS..  trans-74.4156.8179.6-66.2-30.4000111.7G224 M225 Y320D222-G224 PolarHBondContact O-N 3.34Å; D222-M225 HydrophobicContact CB-CG 3.92Å; D222-M225 HydrophobicContact CB-SD 3.98Å; D222-M225 PolarHBondContact N-SD 2.91Å; D222-M225 VanDerWaalsContact O-CG 3.28Å; D222-M225 WeakPolarHBondContact O-CG 3.44Å; D222-M225 PolarHBondContact O-N 3.41Å; D222-Y320 HydrophobicContact CB-CD2 4.21Å; D222-Y320 HydrophobicContact CB-CE2 3.74Å
223K95.9Very high94.8Very high103 Ų10365.2 Ų65.245%0.44832%0.318SS..THydrogen-bonded Turntrans-59.3133173.3-61.4-178.9178178.90110.7L127 Y128 N129 M225 P318 P323L127-K223 WeakPolarHBondContact O-CA 3.28Å; Y128-K223 WeakPolarHBondContact O-CG 3.33Å; N129-K223 WeakPolarHBondContact O-CE 3.28Å; K223-M225 VanDerWaalsContact C-N 3.29Å; K223-M225 PolarHBondContact O-N 3.31Å; K223-P318 HydrophobicContact CB-CB 4.48Å; K223-P318 HydrophobicContact CB-CG 4.07Å; K223-P323 HydrophobicContact CB-CB 4.17Å; K223-P323 HydrophobicContact CD-CB 4.05Å
224G95.1Very high94.9Very high0 Ų065.7 Ų65.70%033%0.328CS..THydrogen-bonded Turntrans81.23175.100000114.9L127 D222 R262 P318L127-G224 PolarHBondContact O-N 2.78Å; D222-G224 PolarHBondContact O-N 3.34Å; G224-R262 PolarHBondContact O-NH2 3.3Å; G224-P318 WeakPolarHBondContact CA-O 2.94Å
225M96.7Very high94.8Very high5 Ų562.6 Ų62.63%0.02531%0.314CS..  trans-54.8150.3172.3-72.9-174.790.700111.2L127 V221 D222 K223 Q229 I231 L252 R262 Y320L127-M225 HydrophobicContact CD2-CB 3.98Å; V221-M225 HydrophobicContact CG1-SD 4.04Å; D222-M225 HydrophobicContact CB-CG 3.92Å; D222-M225 HydrophobicContact CB-SD 3.98Å; D222-M225 PolarHBondContact N-SD 2.91Å; D222-M225 VanDerWaalsContact O-CG 3.28Å; D222-M225 WeakPolarHBondContact O-CG 3.44Å; D222-M225 PolarHBondContact O-N 3.41Å; K223-M225 VanDerWaalsContact C-N 3.29Å; K223-M225 PolarHBondContact O-N 3.31Å; M225-Q229 VanDerWaalsContact CA-OE1 3.29Å; M225-Q229 HydrophobicContact CE-CB 4.41Å; M225-Q229 VanDerWaalsContact CE-CD 3.41Å; M225-Q229 HydrophobicContact CE-CG 3.76Å; M225-I231 HydrophobicContact CE-CD1 3.94Å; M225-I231 HydrophobicContact CE-CG1 3.77Å; M225-I231 HydrophobicContact SD-CD1 4.45Å; M225-L252 HydrophobicContact CB-CD1 3.75Å; M225-L252 HydrophobicContact CE-CD1 3.61Å; M225-L252 HydrophobicContact CG-CD1 4.35Å; M225-L252 HydrophobicContact SD-CD1 3.78Å; M225-R262 PolarHBondContact O-NH1 2.68Å; M225-R262 PolarHBondContact O-NH2 2.84Å; M225-Y320 HydrophobicContact CG-CD2 3.73Å; M225-Y320 HydrophobicContact CG-CE2 3.69Å
226K95.3Very high94.8Very high108 Ų10861.3 Ų61.347%0.4731%0.309SS..  trans-105.4155.8-172.6-61.8-176.4-179.7-174.60111.8G228 Q229K226-G228 PolarHBondContact O-N 3Å; K226-Q229 WeakPolarHBondContact O-CB 3.4Å; K226-Q229 PolarHBondContact O-N 3.1Å; K226-Q229 VanDerWaalsContact O-N 3.14Å
227H95.6Very high94.8Very high120 Ų12056.9 Ų56.956%0.55629%0.287SS*.THydrogen-bonded Turntrans-52.7136.2165.7-177.293.2000110.5Q229 E254H227-Q229 VanDerWaalsContact C-N 3.25Å; H227-Q229 PolarHBondContact O-N 3.39Å; H227-E254 HydrophobicContact CB-CB 3.95Å; H227-E254 PolarHBondContact ND1-N 2.88Å; H227-E254 VanDerWaalsContact ND1-N 3.18Å
228G95.1Very high94.8Very high34 Ų3459.1 Ų59.135%0.35130%0.299SS..THydrogen-bonded Turntrans78-0.1-179.100000115.2K226 L251 L252K226-G228 PolarHBondContact O-N 3Å; G228-L251 WeakPolarHBondContact O-CD1 3.39Å; G228-L252 WeakPolarHBondContact CA-O 3.47Å; G228-L252 PolarHBondContact N-O 3.4Å
229Q95.4Very high94.7Very high43 Ų4357.1 Ų57.120%0.20129%0.289CS..  trans-67.4141.6175.1-170.5168.4-8.200110.8M225 K226 H227 L252M225-Q229 VanDerWaalsContact CA-OE1 3.29Å; M225-Q229 HydrophobicContact CE-CB 4.41Å; M225-Q229 VanDerWaalsContact CE-CD 3.41Å; M225-Q229 HydrophobicContact CE-CG 3.76Å; K226-Q229 WeakPolarHBondContact O-CB 3.4Å; K226-Q229 PolarHBondContact O-N 3.1Å; K226-Q229 VanDerWaalsContact O-N 3.14Å; H227-Q229 VanDerWaalsContact C-N 3.25Å; H227-Q229 PolarHBondContact O-N 3.39Å; Q229-L252 HydrophobicContact CB-CD1 4.3Å; Q229-L252 PolarHBondContact O-N 3.37Å
230R95.9Very high94.5Very high171 Ų17159 Ų5965%0.64531%0.305SS*.EExtended strand (participates in β ladder)trans-101.5132.9-175.2-63.7179.3-176.8-170.60.7111.2V249 L250 L251R230-V249 HydrophobicContact CB-CG1 3.9Å; R230-V249 HydrophobicContact CG-CG1 3.96Å; R230-L250 CarbonylContact C-O 3.53Å; R230-L250 WeakPolarHBondContact CA-O 2.93Å; R230-L251 HydrophobicContact CG-CD1 3.98Å
231I95.1Very high94Very high26 Ų2657 Ų5713%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-113.3114.8169.3-56.9172000107.4V219 M225 F233 L250 L252V219-I231 HydrophobicContact CG1-CD1 3.74Å; V219-I231 HydrophobicContact CG1-CG2 4.48Å; M225-I231 HydrophobicContact CE-CD1 3.94Å; M225-I231 HydrophobicContact CE-CG1 3.77Å; M225-I231 HydrophobicContact SD-CD1 4.45Å; I231-F233 HydrophobicContact CG2-CE2 3.84Å; I231-F233 HydrophobicContact CG2-CZ 4.29Å; I231-L250 HydrophobicContact CB-CB 4.25Å; I231-L250 PolarHBondContact N-O 2.84Å; I231-L250 PolarHBondContact O-N 3.3Å; I231-L252 HydrophobicContact CD1-CD1 4.46Å; I231-L252 HydrophobicContact CD1-CD2 3.93Å; I231-L252 HydrophobicContact CD1-CG 4.33Å
232T95.3Very high93.4Very high72 Ų7260.7 Ų60.744%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-104.7129.6-173.6-56.10000111.3D247 I248 V249T232-D247 HydrophobicContact CG2-CB 3.72Å; T232-I248 CarbonylContact C-O 3.56Å; T232-I248 WeakPolarHBondContact CA-O 3.42Å; T232-V249 HydrophobicContact CG2-CG2 4.24Å
233F94.4Very high93.1Very high43 Ų4359 Ų5919%0.18933%0.332CS..EExtended strand (participates in β ladder)trans-108.2104.6169.2-64.3-94.7000109L217 E218 V219 I231 E236 D247 I248 L250L217-F233 HydrophobicContact CB-CE1 4.36Å; L217-F233 HydrophobicContact CB-CZ 4.38Å; L217-F233 HydrophobicContact CD1-CD1 4.39Å; L217-F233 HydrophobicContact CD1-CD2 4.12Å; L217-F233 HydrophobicContact CD1-CE2 4.45Å; L217-F233 HydrophobicContact CD1-CG 4.1Å; L217-F233 HydrophobicContact CD2-CD1 4.36Å; E218-F233 WeakPolarHBondContact O-CZ 3.33Å; V219-F233 HydrophobicContact CB-CZ 4.48Å; V219-F233 HydrophobicContact CG2-CE2 4.2Å; V219-F233 HydrophobicContact CG2-CZ 3.98Å; I231-F233 HydrophobicContact CG2-CE2 3.84Å; I231-F233 HydrophobicContact CG2-CZ 4.29Å; F233-E236 HydrophobicContact CB-CB 3.94Å; F233-E236 HydrophobicContact CB-CG 3.81Å; F233-D247 WeakPolarHBondContact O-CA 3.34Å; F233-I248 HydrophobicContact CB-CB 4.24Å; F233-I248 PolarHBondContact N-O 3.26Å; F233-I248 PolarHBondContact O-N 3.18Å; F233-L250 HydrophobicContact CD2-CD1 4.38Å; F233-L250 HydrophobicContact CD2-CG 4.31Å; F233-L250 HydrophobicContact CE2-CD1 3.62Å; F233-L250 HydrophobicContact CE2-CG 3.99Å; F233-L250 HydrophobicContact CZ-CD1 4.49Å
234T94Very high92.8Very high111 Ų11158.6 Ų58.668%0.68133%0.331SS*.THydrogen-bonded Turntrans-70.1132.6-171.2-55.70000112.7E236 D247T234-E236 PolarHBondContact O-N 3.41Å; T234-D247 VanDerWaalsContact CA-OD1 3.24Å; T234-D247 WeakPolarHBondContact CA-OD1 3.14Å
235G91.6Very high92.7Very high26 Ų2660.1 Ų60.127%0.26834%0.341SS..THydrogen-bonded Turntrans67.312.8177.400000114.4P245 G246 D247G235-P245 WeakPolarHBondContact O-CG 3.45Å; G235-G246 CarbonylContact C-O 3.49Å; G235-G246 VanDerWaalsContact C-O 3.25Å; G235-G246 WeakPolarHBondContact CA-O 3.39Å; G235-G246 PolarHBondContact N-O 2.59Å; G235-D247 PolarHBondContact N-OD1 2.85Å
236E92.8Very high92.5Very high42 Ų4259.9 Ų59.920%0.19634%0.34CS..  trans-89.6-4.6-176.8-72.5-62.9171.200113.9K139 K215 F233 T234 G246 I248K139-E236 WeakPolarHBondContact CD-O 3.32Å; K139-E236 PolarHBondContact NZ-O 3.36Å; K139-E236 IonicContact NZ-OE2 3.89Å; K139-E236 PolarHBondContact NZ-OE2 3.23Å; K215-E236 WeakPolarHBondContact CD-OE2 3.29Å; K215-E236 VanDerWaalsContact CE-OE2 3.3Å; K215-E236 WeakPolarHBondContact CE-OE2 3.26Å; K215-E236 IonicContact NZ-OE1 3.07Å; K215-E236 PolarHBondContact NZ-OE1 2.85Å; K215-E236 IonicContact NZ-OE2 3.95Å; K215-E236 PolarHBondContact NZ-OE2 3.5Å; F233-E236 HydrophobicContact CB-CB 3.94Å; F233-E236 HydrophobicContact CB-CG 3.81Å; T234-E236 PolarHBondContact O-N 3.41Å; E236-G246 PolarHBondContact N-O 2.97Å; E236-I248 HydrophobicContact CB-CB 4.32Å; E236-I248 HydrophobicContact CB-CD1 3.8Å; E236-I248 HydrophobicContact CB-CG1 4Å; E236-I248 WeakPolarHBondContact O-CD1 3.18Å
237A92.7Very high92.5Very high0 Ų055.7 Ų55.70%032%0.323CS..SBendtrans-71.7-171.2-179.800000113.8M116 Q239 G246 I248M116-A237 HydrophobicContact CE-CB 4.13Å; M116-A237 HydrophobicContact CG-CB 4.15Å; A237-Q239 PolarHBondContact O-N 3.2Å; A237-G246 WeakPolarHBondContact CB-O 3.06Å; A237-G246 PolarHBondContact N-O 3.49Å; A237-I248 HydrophobicContact CB-CG1 4.45Å
238D93Very high92.4Very high56 Ų5650 Ų5030%0.29930%0.297SS..  trans-59.6133.6176.8-85.6-3.2000111.7K139 N140K139-D238 VanDerWaalsContact CA-OD1 3.31Å; K139-D238 WeakPolarHBondContact CA-OD1 3.23Å; K139-D238 WeakPolarHBondContact CB-OD1 3.41Å; N140-D238 HydrophobicContact CB-CB 4.24Å; N140-D238 PolarHBondContact N-OD1 3.2Å; N140-D238 PolarHBondContact ND2-OD2 3.01Å
239Q92.4Very high92.4Very high57 Ų5749.1 Ų49.127%0.26628%0.284SS..  trans-93142.5174.2-59179.42.100110.2N140 L142 V210 A237 P245N140-Q239 PolarHBondContact O-N 3.1Å; L142-Q239 HydrophobicContact CG-CB 4.14Å; V210-Q239 WeakPolarHBondContact CG1-O 3.35Å; A237-Q239 PolarHBondContact O-N 3.2Å; Q239-P245 HydrophobicContact CG-CB 4.25Å
240A89.9Confident92.4Very high40 Ų4047.1 Ų47.133%0.33128%0.275SS..BIsolated β-bridgetrans-135.4150.116900000110.4G242 V243A240-G242 PolarHBondContact O-N 3.46Å; A240-V243 HydrophobicContact CB-CB 4.02Å; A240-V243 HydrophobicContact CB-CG2 4.08Å; A240-V243 PolarHBondContact O-N 3.04Å; A240-V243 VanDerWaalsContact O-N 3.09Å
241P86.4Confident92.4Very high58 Ų5841.8 Ų41.838%0.37726%0.259SS..THydrogen-bonded Turntrans-57.6124.4179.1-24.633.8000112L142 G148 K209 V243L142-P241 HydrophobicContact CD2-CB 4.41Å; L142-P241 HydrophobicContact CD2-CG 3.89Å; G148-P241 WeakPolarHBondContact O-CG 3.49Å; K209-P241 HydrophobicContact CB-CG 3.6Å; K209-P241 HydrophobicContact CD-CG 3.86Å; K209-P241 HydrophobicContact CG-CG 4.29Å; P241-V243 VanDerWaalsContact C-N 3.28Å; P241-V243 PolarHBondContact O-N 3.42Å
242G83.8Confident92.5Very high80 Ų8040.5 Ų40.583%0.82525%0.253SS*.THydrogen-bonded Turntrans76.310.4179.700000115.1A240A240-G242 PolarHBondContact O-N 3.46Å
243V88Confident92.6Very high43 Ų4340.3 Ų40.326%0.26125%0.246SC..EExtended strand (participates in β ladder)trans-120.3133-179.7178.70000108.7R111 G113 A240 P241R111-V243 HydrophobicContact CB-CG2 4.21Å; R111-V243 CarbonylContact O-C 3.35Å; R111-V243 WeakPolarHBondContact O-CA 3.46Å; R111-V243 WeakPolarHBondContact O-CG1 3.2Å; G113-V243 VanDerWaalsContact N-CG1 3.25Å; A240-V243 HydrophobicContact CB-CB 4.02Å; A240-V243 HydrophobicContact CB-CG2 4.08Å; A240-V243 PolarHBondContact O-N 3.04Å; A240-V243 VanDerWaalsContact O-N 3.09Å; P241-V243 VanDerWaalsContact C-N 3.28Å; P241-V243 PolarHBondContact O-N 3.42Å
244E90.2Very high92.7Very high95 Ų9540.4 Ų40.444%0.44425%0.247SC..EExtended strand (participates in β ladder)trans-76.1127.6172.8-177.1170.6171.500108.9R110 R111 R112 G113R110-E244 IonicContact NH1-OE2 2.64Å; R111-E244 PolarHBondContact O-N 3.43Å; R112-E244 CarbonylContact C-O 3.52Å; R112-E244 WeakPolarHBondContact CA-O 3.33Å; G113-E244 PolarHBondContact N-O 2.77Å
245P92.3Very high92.8Very high32 Ų3240.2 Ų40.221%0.20824%0.237CC..  trans-61.2144.6-175.524.9-33.4000112.1G235 Q239G235-P245 WeakPolarHBondContact O-CG 3.45Å; Q239-P245 HydrophobicContact CG-CB 4.25Å
246G93.4Very high93Very high0 Ų048.4 Ų48.40%027%0.269CS..  trans-72-171.7168.700000112.3D115 G235 E236 A237D115-G246 WeakPolarHBondContact OD1-CA 3.5Å; G235-G246 CarbonylContact C-O 3.49Å; G235-G246 VanDerWaalsContact C-O 3.25Å; G235-G246 WeakPolarHBondContact CA-O 3.39Å; G235-G246 PolarHBondContact N-O 2.59Å; E236-G246 PolarHBondContact N-O 2.97Å; A237-G246 WeakPolarHBondContact CB-O 3.06Å; A237-G246 PolarHBondContact N-O 3.49Å
247D94.9Very high93.2Very high20 Ų2048.5 Ų48.511%0.10727%0.269CS..  trans-101154.3179.2-58.7-16.4000111.9R112 D115 M116 T232 F233 T234 G235 V249R112-D247 IonicContact CZ-OD2 3.45Å; R112-D247 IonicContact NH2-OD1 2.7Å; R112-D247 PolarHBondContact NH2-OD1 2.86Å; R112-D247 IonicContact NH2-OD2 2.71Å; R112-D247 PolarHBondContact NH2-OD2 2.86Å; D115-D247 CarbonylContact C-O 3.59Å; D115-D247 VanDerWaalsContact CA-O 3.25Å; D115-D247 WeakPolarHBondContact CA-O 3.48Å; D115-D247 PolarHBondContact OD1-N 3.13Å; M116-D247 PolarHBondContact N-O 3.35Å; T232-D247 HydrophobicContact CG2-CB 3.72Å; F233-D247 WeakPolarHBondContact O-CA 3.34Å; T234-D247 VanDerWaalsContact CA-OD1 3.24Å; T234-D247 WeakPolarHBondContact CA-OD1 3.14Å; G235-D247 PolarHBondContact N-OD1 2.85Å; D247-V249 HydrophobicContact CB-CG2 4.44Å
248I94.3Very high93.3Very high2 Ų258 Ų581%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-93.4118163.8-67.5175.9000107.9M116 L137 L217 T232 F233 E236 A237 L250M116-I248 HydrophobicContact CB-CG1 4.33Å; M116-I248 HydrophobicContact CE-CD1 3.6Å; M116-I248 HydrophobicContact CE-CG1 3.58Å; M116-I248 CarbonylContact O-C 3.19Å; M116-I248 WeakPolarHBondContact O-CA 3.29Å; L137-I248 HydrophobicContact CD1-CD1 3.78Å; L137-I248 HydrophobicContact CD1-CG2 3.83Å; L217-I248 HydrophobicContact CD1-CD1 3.93Å; L217-I248 HydrophobicContact CD1-CG2 4.15Å; T232-I248 CarbonylContact C-O 3.56Å; T232-I248 WeakPolarHBondContact CA-O 3.42Å; F233-I248 HydrophobicContact CB-CB 4.24Å; F233-I248 PolarHBondContact N-O 3.26Å; F233-I248 PolarHBondContact O-N 3.18Å; E236-I248 HydrophobicContact CB-CB 4.32Å; E236-I248 HydrophobicContact CB-CD1 3.8Å; E236-I248 HydrophobicContact CB-CG1 4Å; E236-I248 WeakPolarHBondContact O-CD1 3.18Å; A237-I248 HydrophobicContact CB-CG1 4.45Å; I248-L250 HydrophobicContact CG2-CD2 3.77Å; I248-L250 HydrophobicContact CG2-CG 4.46Å
249V95.2Very high93.4Very high15 Ų1558.8 Ų58.89%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-108.8109.7178.7-176.10000108.7M116 M117 H118 R230 T232 D247M116-V249 PolarHBondContact O-N 3.02Å; M117-V249 WeakPolarHBondContact CA-O 3.19Å; H118-V249 PolarHBondContact N-O 3.45Å; R230-V249 HydrophobicContact CB-CG1 3.9Å; R230-V249 HydrophobicContact CG-CG1 3.96Å; T232-V249 HydrophobicContact CG2-CG2 4.24Å; D247-V249 HydrophobicContact CB-CG2 4.44Å
250L95.4Very high93.6Very high0 Ų056.4 Ų56.40%031%0.309CS..EExtended strand (participates in β ladder)trans-85124.1172.4-50.4-174.3000109.4H118 L120 L135 V219 R230 I231 F233 I248H118-L250 HydrophobicContact CB-CD2 3.68Å; H118-L250 CarbonylContact O-C 3.58Å; H118-L250 VanDerWaalsContact O-CA 3.26Å; H118-L250 WeakPolarHBondContact O-CA 3.5Å; L120-L250 HydrophobicContact CD2-CD1 4.47Å; L135-L250 HydrophobicContact CD2-CD1 3.97Å; L135-L250 HydrophobicContact CD2-CD2 3.58Å; L135-L250 HydrophobicContact CD2-CG 4.46Å; V219-L250 HydrophobicContact CB-CD1 4.13Å; V219-L250 HydrophobicContact CG1-CD1 3.64Å; V219-L250 HydrophobicContact CG2-CD1 3.32Å; R230-L250 CarbonylContact C-O 3.53Å; R230-L250 WeakPolarHBondContact CA-O 2.93Å; I231-L250 HydrophobicContact CB-CB 4.25Å; I231-L250 PolarHBondContact N-O 2.84Å; I231-L250 PolarHBondContact O-N 3.3Å; F233-L250 HydrophobicContact CD2-CD1 4.38Å; F233-L250 HydrophobicContact CD2-CG 4.31Å; F233-L250 HydrophobicContact CE2-CD1 3.62Å; F233-L250 HydrophobicContact CE2-CG 3.99Å; F233-L250 HydrophobicContact CZ-CD1 4.49Å; I248-L250 HydrophobicContact CG2-CD2 3.77Å; I248-L250 HydrophobicContact CG2-CG 4.46Å
251L96Very high94Very high59 Ų5961.5 Ų61.531%0.30933%0.326SS..EExtended strand (participates in β ladder)trans-98.3115.8175.4-171.973.3000108.9H118 P119 L120 G228 R230 Q253H118-L251 PolarHBondContact O-N 2.9Å; P119-L251 WeakPolarHBondContact CA-O 3.5Å; L120-L251 PolarHBondContact N-O 2.87Å; G228-L251 WeakPolarHBondContact O-CD1 3.39Å; R230-L251 HydrophobicContact CG-CD1 3.98Å; L251-Q253 PolarHBondContact O-N 2.93Å
252L96.4Very high94.5Very high0 Ų060.6 Ų60.60%032%0.315CS..EExtended strand (participates in β ladder)trans-66.9123.9177.1-65.6-171.3000110.5L120 V122 L127 V221 M225 G228 Q229 I231L120-L252 HydrophobicContact CB-CD2 4.23Å; L120-L252 HydrophobicContact CD2-CD2 3.85Å; L120-L252 HydrophobicContact CG-CD2 4.34Å; V122-L252 HydrophobicContact CG1-CD2 4.05Å; V122-L252 HydrophobicContact CG2-CB 4.38Å; V122-L252 HydrophobicContact CG2-CD2 4.5Å; L127-L252 HydrophobicContact CD2-CD1 4.38Å; V221-L252 HydrophobicContact CG1-CD1 4.27Å; V221-L252 HydrophobicContact CG2-CD2 4.22Å; M225-L252 HydrophobicContact CB-CD1 3.75Å; M225-L252 HydrophobicContact CE-CD1 3.61Å; M225-L252 HydrophobicContact CG-CD1 4.35Å; M225-L252 HydrophobicContact SD-CD1 3.78Å; G228-L252 WeakPolarHBondContact CA-O 3.47Å; G228-L252 PolarHBondContact N-O 3.4Å; Q229-L252 HydrophobicContact CB-CD1 4.3Å; Q229-L252 PolarHBondContact O-N 3.37Å; I231-L252 HydrophobicContact CD1-CD1 4.46Å; I231-L252 HydrophobicContact CD1-CD2 3.93Å; I231-L252 HydrophobicContact CD1-CG 4.33Å
253Q96.8Very high95Very high67 Ų6761.9 Ų61.931%0.31330%0.303SS..EExtended strand (participates in β ladder)trans-114.9101.8173.8-70.8-172.6-1700108.8P119 L120 K121 V122 L251 K255P119-Q253 HydrophobicContact CB-CG 4.09Å; L120-Q253 PolarHBondContact O-N 3.12Å; K121-Q253 CarbonylContact C-O 3.35Å; K121-Q253 WeakPolarHBondContact CA-O 3.28Å; V122-Q253 PolarHBondContact N-O 2.7Å; L251-Q253 PolarHBondContact O-N 2.93Å; Q253-K255 PolarHBondContact O-N 2.89Å
254E96.8Very high95.4Very high45 Ų4561.6 Ų61.621%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-59.2126.8170.8-172.8169.7142.100110.2V122 L127 H227 R262V122-E254 WeakPolarHBondContact O-CA 3.34Å; L127-E254 HydrophobicContact CD1-CB 4.05Å; L127-E254 HydrophobicContact CD1-CG 3.76Å; L127-E254 WeakPolarHBondContact CD1-OE2 3.26Å; H227-E254 HydrophobicContact CB-CB 3.95Å; H227-E254 PolarHBondContact ND1-N 2.88Å; H227-E254 VanDerWaalsContact ND1-N 3.18Å; E254-R262 VanDerWaalsContact OE1-CB 3.27Å; E254-R262 WeakPolarHBondContact OE1-CB 3.4Å; E254-R262 WeakPolarHBondContact OE1-CD 3.47Å; E254-R262 WeakPolarHBondContact OE2-CD 3.37Å; E254-R262 IonicContact OE2-CZ 3.89Å; E254-R262 IonicContact OE2-NE 3.23Å; E254-R262 IonicContact OE2-NH1 3.8Å; E254-R262 PolarHBondContact OE2-NH1 3.24Å
255K96.7Very high95.6Very high107 Ų10759.2 Ų59.247%0.46530%0.299SS..PPolyproline II helixtrans-80.4143.7171.5-65.3179.7-178.71800109.5K121 V122 Q253K121-K255 HydrophobicContact CB-CD 4.5Å; K121-K255 HydrophobicContact CB-CG 4.24Å; V122-K255 PolarHBondContact O-N 2.86Å; Q253-K255 PolarHBondContact O-N 2.89Å
256E95.9Very high95.9Very high199 Ų19959.8 Ų59.893%0.9330%0.3SS*.PPolyproline II helixtrans-57.6140.3167.8-65.3176.7-17700110.3
257H96.7Very high96.1Very high44 Ų4459.8 Ų59.820%0.20430%0.3CS..  trans-115.2142-179.6179.2-60.5000109.1L124 E125 V259 F260L124-H257 HydrophobicContact CB-CB 4.17Å; L124-H257 HydrophobicContact CD2-CB 4.09Å; E125-H257 IonicContact OE1-CD2 3.78Å; E125-H257 PolarHBondContact OE1-CD2 2.98Å; E125-H257 VanDerWaalsContact OE1-CD2 3.32Å; E125-H257 IonicContact OE1-NE2 3.91Å; E125-H257 PolarHBondContact OE1-NE2 3.18Å; H257-V259 PolarHBondContact ND1-N 3.49Å; H257-V259 PolarHBondContact O-N 2.9Å; H257-F260 WeakPolarHBondContact CB-O 3.42Å; H257-F260 AromaticContact CE1-CD2 3.41Å; H257-F260 VanDerWaalsContact CE1-CD2 3.41Å; H257-F260 WeakPolarHBondContact CE1-CD2 3.25Å; H257-F260 AromaticContact ND1-CD2 3.86Å; H257-F260 PolarHBondContact ND1-N 2.97Å; H257-F260 AromaticContact NE2-CD2 3.79Å
258E94.8Very high96.2Very high199 Ų19962 Ų6293%0.9331%0.309SS*.SBendtrans-66.3-39.3-171-61.8178.5176.100113.5
259V95.2Very high96.4Very high73 Ų7362.3 Ų62.344%0.44231%0.311SS..SBendtrans-98.7-46.1-176.5-1750000113.5H257 M269H257-V259 PolarHBondContact ND1-N 3.49Å; H257-V259 PolarHBondContact O-N 2.9Å; V259-M269 HydrophobicContact CG1-CB 4.4Å; V259-M269 HydrophobicContact CG1-CE 4.09Å; V259-M269 WeakPolarHBondContact O-CB 3.45Å
260F97.3Very high96.5Very high6 Ų665.6 Ų65.63%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-104.2139.4-173.2-56.1-69.7000112.2L124 H257 L267 H268 M269 F286 L289 L329L124-F260 HydrophobicContact CD2-CB 3.75Å; H257-F260 WeakPolarHBondContact CB-O 3.42Å; H257-F260 AromaticContact CE1-CD2 3.41Å; H257-F260 VanDerWaalsContact CE1-CD2 3.41Å; H257-F260 WeakPolarHBondContact CE1-CD2 3.25Å; H257-F260 AromaticContact ND1-CD2 3.86Å; H257-F260 PolarHBondContact ND1-N 2.97Å; H257-F260 AromaticContact NE2-CD2 3.79Å; F260-L267 HydrophobicContact CB-CD2 4.37Å; F260-H268 CarbonylContact C-O 3.57Å; F260-H268 WeakPolarHBondContact CA-O 3.17Å; F260-M269 HydrophobicContact CD1-CB 4.03Å; F260-M269 HydrophobicContact CE1-CB 4.28Å; F260-M269 HydrophobicContact CE1-SD 3.9Å; F260-F286 HydrophobicContact CE1-CD2 4.26Å; F260-F286 HydrophobicContact CE1-CE2 4.05Å; F260-F286 AromaticContact CZ-CD2 3.77Å; F260-F286 HydrophobicContact CZ-CD2 3.77Å; F260-F286 AromaticContact CZ-CE2 3.82Å; F260-F286 HydrophobicContact CZ-CE2 3.82Å; F260-L289 HydrophobicContact CD2-CD2 3.76Å; F260-L289 HydrophobicContact CD2-CG 4.21Å; F260-L289 HydrophobicContact CE2-CD2 4.21Å; F260-L289 HydrophobicContact CE2-CG 4.42Å; F260-L329 HydrophobicContact CD1-CD1 3.97Å; F260-L329 HydrophobicContact CE1-CD1 3.97Å; F260-L329 HydrophobicContact CE1-CD2 4.49Å
261Q96.9Very high96.5Very high147 Ų14768.7 Ų68.769%0.68734%0.344SS*.EExtended strand (participates in β ladder)trans-112.3132.1166.4-66.2177.9-4.500108.3L267 H268Q261-L267 CarbonylContact O-C 3.49Å; Q261-L267 WeakPolarHBondContact O-CA 3.32Å; Q261-H268 HydrophobicContact CB-CB 4.31Å; Q261-H268 PolarHBondContact N-O 2.87Å; Q261-H268 PolarHBondContact O-N 2.87Å
262R96.9Very high96.6Very high40 Ų4071.8 Ų71.815%0.15136%0.355CS..EExtended strand (participates in β ladder)trans-91.3132.4-179.7-174.7-173.2-179.7171.85.5110.7L124 G224 M225 E254 G264 L267 M317L124-R262 HydrophobicContact CD1-CB 3.98Å; L124-R262 HydrophobicContact CD1-CG 4.31Å; G224-R262 PolarHBondContact O-NH2 3.3Å; M225-R262 PolarHBondContact O-NH1 2.68Å; M225-R262 PolarHBondContact O-NH2 2.84Å; E254-R262 VanDerWaalsContact OE1-CB 3.27Å; E254-R262 WeakPolarHBondContact OE1-CB 3.4Å; E254-R262 WeakPolarHBondContact OE1-CD 3.47Å; E254-R262 WeakPolarHBondContact OE2-CD 3.37Å; E254-R262 IonicContact OE2-CZ 3.89Å; E254-R262 IonicContact OE2-NE 3.23Å; E254-R262 IonicContact OE2-NH1 3.8Å; E254-R262 PolarHBondContact OE2-NH1 3.24Å; R262-G264 PolarHBondContact NE-O 2.8Å; R262-G264 PolarHBondContact NH2-O 2.78Å; R262-L267 HydrophobicContact CB-CD2 4.23Å; R262-L267 HydrophobicContact CG-CD2 4.42Å; R262-M317 HydrophobicContact CG-CG 4.01Å
263D95.9Very high96.5Very high107 Ų10772 Ų7257%0.57236%0.355SS*.EExtended strand (participates in β ladder)trans-125.1101.9164.6-173.910.4000109.7N265 D266D263-N265 PolarHBondContact O-N 2.79Å; D263-D266 PolarHBondContact N-O 2.81Å; D263-D266 WeakPolarHBondContact O-CA 3.24Å; D263-D266 PolarHBondContact O-N 2.94Å
264G94.8Very high96.5Very high37 Ų3769.9 Ų69.938%0.38135%0.352SS..THydrogen-bonded Turntrans60.9-108.2-176.300000113R262R262-G264 PolarHBondContact NE-O 2.8Å; R262-G264 PolarHBondContact NH2-O 2.78Å
265N95.7Very high96.3Very high45 Ų4570.1 Ų70.124%0.24136%0.355CS..THydrogen-bonded Turntrans-101.2-6.8175-61.5-28.6000112.4D263 G316 M317 G327D263-N265 PolarHBondContact O-N 2.79Å; N265-G316 CarbonylContact O-C 3.45Å; N265-M317 WeakPolarHBondContact O-CA 3.46Å; N265-M317 WeakPolarHBondContact O-CB 3.49Å; N265-M317 PolarHBondContact O-N 2.91Å; N265-G327 VanDerWaalsContact O-CA 3.31Å; N265-G327 WeakPolarHBondContact O-CA 3.49Å
266D97.6Very high96.2Very high44 Ų4470.1 Ų70.124%0.23536%0.363CS..EExtended strand (participates in β ladder)trans-96.9157.4-177.4-62.5-25.8000110.4D263 G327 D328 Y330D263-D266 PolarHBondContact N-O 2.81Å; D263-D266 WeakPolarHBondContact O-CA 3.24Å; D263-D266 PolarHBondContact O-N 2.94Å; D266-G327 VanDerWaalsContact OD1-CA 3.24Å; D266-G327 WeakPolarHBondContact OD1-CA 3.2Å; D266-D328 CarbonylContact C-O 3.53Å; D266-D328 VanDerWaalsContact CA-O 3.28Å; D266-D328 WeakPolarHBondContact CA-O 3.27Å; D266-D328 WeakPolarHBondContact CB-O 3.12Å; D266-D328 PolarHBondContact OD1-N 2.79Å; D266-Y330 HydrophobicContact CB-CD2 4.07Å; D266-Y330 HydrophobicContact CB-CE2 3.76Å
267L97.8Very high96.1Very high0 Ų064.5 Ų64.50%034%0.337CS..EExtended strand (participates in β ladder)trans-118.3143.9176-67.8176.9000109.5L124 F260 Q261 R262 L289 M317 D328 L329 Y330L124-L267 HydrophobicContact CD2-CD2 3.92Å; F260-L267 HydrophobicContact CB-CD2 4.37Å; Q261-L267 CarbonylContact O-C 3.49Å; Q261-L267 WeakPolarHBondContact O-CA 3.32Å; R262-L267 HydrophobicContact CB-CD2 4.23Å; R262-L267 HydrophobicContact CG-CD2 4.42Å; L267-L289 HydrophobicContact CD1-CD1 3.65Å; L267-L289 HydrophobicContact CD1-CG 4.49Å; L267-L289 HydrophobicContact CD2-CD1 4.37Å; L267-M317 HydrophobicContact CD2-CG 3.7Å; L267-M317 HydrophobicContact CD2-SD 4.02Å; L267-M317 HydrophobicContact CG-CG 4.08Å; L267-D328 PolarHBondContact N-O 2.84Å; L267-L329 HydrophobicContact CB-CD1 3.64Å; L267-L329 CarbonylContact O-C 3.54Å; L267-L329 WeakPolarHBondContact O-CA 3.15Å; L267-Y330 PolarHBondContact O-N 2.77Å
268H98.1Very high96Very high65 Ų6562.5 Ų62.530%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-119.7138174.2-67.9-95.5000109.4F260 Q261 Y330F260-H268 CarbonylContact C-O 3.57Å; F260-H268 WeakPolarHBondContact CA-O 3.17Å; Q261-H268 HydrophobicContact CB-CB 4.31Å; Q261-H268 PolarHBondContact N-O 2.87Å; Q261-H268 PolarHBondContact O-N 2.87Å; H268-Y330 CarbonylContact C-O 3.58Å; H268-Y330 VanDerWaalsContact CA-O 3.3Å; H268-Y330 WeakPolarHBondContact CA-O 3.16Å; H268-Y330 AromaticContact CE1-CD2 3.72Å; H268-Y330 AromaticContact CE1-CG 3.83Å; H268-Y330 AromaticContact NE2-CD2 3.91Å
269M97.3Very high96Very high9 Ų956.3 Ų56.34%0.04430%0.301CS..EExtended strand (participates in β ladder)trans-139153.7169.166.4176.7-65.700110.4V259 F260 Y271 L329 Y330 I331 K332V259-M269 HydrophobicContact CG1-CB 4.4Å; V259-M269 HydrophobicContact CG1-CE 4.09Å; V259-M269 WeakPolarHBondContact O-CB 3.45Å; F260-M269 HydrophobicContact CD1-CB 4.03Å; F260-M269 HydrophobicContact CE1-CB 4.28Å; F260-M269 HydrophobicContact CE1-SD 3.9Å; M269-Y271 HydrophobicContact CE-CD2 3.81Å; M269-Y271 HydrophobicContact CE-CG 4.48Å; M269-L329 HydrophobicContact CG-CD1 4.03Å; M269-L329 HydrophobicContact SD-CD1 4.24Å; M269-L329 HydrophobicContact SD-CD2 4.09Å; M269-Y330 PolarHBondContact N-O 3.15Å; M269-I331 HydrophobicContact CG-CB 4.21Å; M269-I331 HydrophobicContact CG-CD1 4.5Å; M269-I331 HydrophobicContact CG-CG1 3.83Å; M269-I331 HydrophobicContact CG-CG2 4.05Å; M269-I331 WeakPolarHBondContact O-CA 3.18Å; M269-I331 HydrophobicContact SD-CD1 4.03Å; M269-I331 HydrophobicContact SD-CG1 4Å; M269-I331 HydrophobicContact SD-CG2 4.47Å; M269-K332 PolarHBondContact O-N 3.16Å
270T97.1Very high95.9Very high84 Ų8456.5 Ų56.552%0.51531%0.305SS..EExtended strand (participates in β ladder)trans-104.6128.5169.6-59.20000108.8K332 D334T270-K332 CarbonylContact C-O 3.58Å; T270-K332 WeakPolarHBondContact CA-O 3.37Å; T270-D334 HydrophobicContact CG2-CB 4.15Å
271Y96.6Very high95.7Very high66 Ų6657 Ų5726%0.25931%0.312SS..EExtended strand (participates in β ladder)trans-122.2129.6178.7-159.5-101.9000110.4M269 I273 F284 K332 F333 D334M269-Y271 HydrophobicContact CE-CD2 3.81Å; M269-Y271 HydrophobicContact CE-CG 4.48Å; Y271-I273 HydrophobicContact CD1-CG2 3.66Å; Y271-I273 HydrophobicContact CE1-CG2 3.93Å; Y271-F284 AromaticContact CD1-CD1 3.87Å; Y271-F284 HydrophobicContact CD1-CD1 3.87Å; Y271-F284 HydrophobicContact CD1-CD2 4.25Å; Y271-F284 AromaticContact CD1-CE1 3.81Å; Y271-F284 HydrophobicContact CD1-CE1 3.81Å; Y271-F284 HydrophobicContact CD1-CE2 4.18Å; Y271-F284 HydrophobicContact CD1-CG 4.1Å; Y271-F284 AromaticContact CD1-CZ 3.98Å; Y271-F284 HydrophobicContact CD1-CZ 3.98Å; Y271-F284 HydrophobicContact CD2-CD2 4.17Å; Y271-F284 AromaticContact CD2-CE2 3.93Å; Y271-F284 HydrophobicContact CD2-CE2 3.93Å; Y271-F284 HydrophobicContact CD2-CZ 4.35Å; Y271-F284 HydrophobicContact CE1-CB 3.77Å; Y271-F284 AromaticContact CE1-CD1 3.53Å; Y271-F284 HydrophobicContact CE1-CD1 3.53Å; Y271-F284 AromaticContact CE1-CD2 3.76Å; Y271-F284 HydrophobicContact CE1-CD2 3.76Å; Y271-F284 AromaticContact CE1-CE1 3.97Å; Y271-F284 HydrophobicContact CE1-CE1 3.97Å; Y271-F284 HydrophobicContact CE1-CE2 4.16Å; Y271-F284 AromaticContact CE1-CG 3.43Å; Y271-F284 HydrophobicContact CE1-CG 3.43Å; Y271-F284 VanDerWaalsContact CE1-CG 3.43Å; Y271-F284 HydrophobicContact CE1-CZ 4.27Å; Y271-F284 AromaticContact CE2-CD2 3.66Å; Y271-F284 HydrophobicContact CE2-CD2 3.66Å; Y271-F284 AromaticContact CE2-CE2 3.9Å; Y271-F284 HydrophobicContact CE2-CE2 3.9Å; Y271-F284 HydrophobicContact CE2-CG 4.19Å; Y271-F284 HydrophobicContact CG-CD2 4.44Å; Y271-F284 HydrophobicContact CG-CE1 4.33Å; Y271-F284 HydrophobicContact CG-CE2 4.08Å; Y271-F284 HydrophobicContact CG-CZ 4.03Å; Y271-F284 AromaticContact CZ-CD2 3.44Å; Y271-F284 VanDerWaalsContact CZ-CD2 3.44Å; Y271-F284 AromaticContact CZ-CG 3.48Å; Y271-F284 VanDerWaalsContact CZ-CG 3.48Å; Y271-F284 VanDerWaalsContact OH-CB 3.24Å; Y271-F284 WeakPolarHBondContact OH-CB 3.39Å; Y271-K332 PolarHBondContact N-O 2.87Å; Y271-F333 HydrophobicContact CD1-CE1 4.29Å; Y271-F333 WeakPolarHBondContact O-CA 3.26Å; Y271-D334 PolarHBondContact O-N 2.9Å
272K96.4Very high95.6Very high124 Ų12450.9 Ų50.954%0.53928%0.283SS..EExtended strand (participates in β ladder)trans-92.5128.9-179-70.8174.3172-172.40109.4D334 Q336K272-D334 WeakPolarHBondContact CA-O 3.32Å; K272-D334 WeakPolarHBondContact CE-OD2 3.45Å; K272-D334 HydrophobicContact CG-CB 4.01Å; K272-Q336 HydrophobicContact CB-CG 4.48Å
273I96.2Very high95.6Very high3 Ų354.3 Ų54.32%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-130.8151.5176.761.9172.7000110.1Y271 E277 A278 F282 I304 F333 D334 V335 Q336Y271-I273 HydrophobicContact CD1-CG2 3.66Å; Y271-I273 HydrophobicContact CE1-CG2 3.93Å; I273-E277 WeakPolarHBondContact CA-OE2 3.44Å; I273-E277 HydrophobicContact CB-CB 4.13Å; I273-E277 WeakPolarHBondContact CB-OE2 3.47Å; I273-A278 HydrophobicContact CD1-CB 3.8Å; I273-A278 HydrophobicContact CG1-CB 4.4Å; I273-F282 HydrophobicContact CD1-CD1 4.18Å; I273-F282 HydrophobicContact CD1-CE1 3.83Å; I273-I304 HydrophobicContact CD1-CB 4.04Å; I273-I304 HydrophobicContact CD1-CG2 3.63Å; I273-F333 HydrophobicContact CD1-CB 4.41Å; I273-F333 HydrophobicContact CD1-CD1 3.88Å; I273-F333 HydrophobicContact CD1-CG 4.42Å; I273-F333 HydrophobicContact CG1-CD1 4.27Å; I273-F333 HydrophobicContact CG2-CD1 3.98Å; I273-F333 HydrophobicContact CG2-CE1 4.27Å; I273-D334 PolarHBondContact N-O 2.86Å; I273-V335 HydrophobicContact CD1-CG2 4.21Å; I273-V335 HydrophobicContact CG1-CG2 4.06Å; I273-V335 CarbonylContact O-C 3.56Å; I273-V335 WeakPolarHBondContact O-CA 3.25Å; I273-Q336 PolarHBondContact O-N 3.22Å
274G95.4Very high95.5Very high24 Ų2449.8 Ų49.825%0.24728%0.276CS..EExtended strand (participates in β ladder)trans-75.6162173.400000112.8V276 E277 A278G274-V276 VanDerWaalsContact C-N 3.27Å; G274-V276 PolarHBondContact O-N 2.82Å; G274-E277 PolarHBondContact N-OE2 3Å; G274-E277 WeakPolarHBondContact O-CB 3.19Å; G274-E277 PolarHBondContact O-N 3.08Å; G274-E277 VanDerWaalsContact O-N 3.13Å; G274-A278 PolarHBondContact O-N 2.86Å
275L93.7Very high95.6Very high50 Ų5051.6 Ų51.626%0.26228%0.28SS..Hα-helixtrans-56.5-39.8176-178.161.5000112.9A278 L279 V335 Q336 F337L275-A278 PolarHBondContact O-N 3.46Å; L275-L279 HydrophobicContact CD1-CD1 4.01Å; L275-L279 HydrophobicContact CD1-CG 4.23Å; L275-L279 HydrophobicContact CG-CD1 4.06Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.87Å; L275-L279 VanDerWaalsContact O-N 3.09Å; L275-V335 HydrophobicContact CD1-CG1 4.35Å; L275-Q336 PolarHBondContact N-O 3.07Å; L275-Q336 VanDerWaalsContact N-O 3.16Å; L275-F337 HydrophobicContact CD1-CD1 4.42Å; L275-F337 HydrophobicContact CD1-CE1 3.9Å; L275-F337 HydrophobicContact CD1-CZ 4.04Å; L275-F337 HydrophobicContact CD2-CD1 3.96Å; L275-F337 HydrophobicContact CD2-CE1 4Å
276V93.4Very high95.5Very high107 Ų10750.2 Ų50.265%0.64827%0.272SS*.Hα-helixtrans-63.8-42.6177.4177.80000111G274 A278 L279 C280G274-V276 VanDerWaalsContact C-N 3.27Å; G274-V276 PolarHBondContact O-N 2.82Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.8Å; V276-L279 PolarHBondContact O-N 2.8Å; V276-C280 HydrophobicContact CG1-CB 4.39Å; V276-C280 WeakPolarHBondContact O-CA 3.4Å; V276-C280 WeakPolarHBondContact O-CB 3.35Å; V276-C280 PolarHBondContact O-N 2.82Å
277E94.9Very high95.5Very high80 Ų8054.8 Ų54.837%0.37429%0.29SS..Hα-helixtrans-63.3-41.6176.1-69.8-179.513500111.1I273 G274 L279 G281 F282I273-E277 WeakPolarHBondContact CA-OE2 3.44Å; I273-E277 HydrophobicContact CB-CB 4.13Å; I273-E277 WeakPolarHBondContact CB-OE2 3.47Å; G274-E277 PolarHBondContact N-OE2 3Å; G274-E277 WeakPolarHBondContact O-CB 3.19Å; G274-E277 PolarHBondContact O-N 3.08Å; G274-E277 VanDerWaalsContact O-N 3.13Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 2.83Å; E277-G281 CarbonylContact O-C 3.58Å; E277-G281 WeakPolarHBondContact O-CA 3.42Å; E277-G281 PolarHBondContact O-N 2.83Å; E277-F282 HydrophobicContact CB-CB 3.87Å; E277-F282 HydrophobicContact CB-CD1 4.2Å; E277-F282 HydrophobicContact CB-CG 4.4Å; E277-F282 HydrophobicContact CG-CB 4.08Å; E277-F282 WeakPolarHBondContact O-CD1 3.23Å
278A94.7Very high95.4Very high2 Ų255.1 Ų55.12%0.01729%0.291CS..Hα-helixtrans-63.1-32.7178.700000113.4I273 G274 L275 V276 V303 I304 V335I273-A278 HydrophobicContact CD1-CB 3.8Å; I273-A278 HydrophobicContact CG1-CB 4.4Å; G274-A278 PolarHBondContact O-N 2.86Å; L275-A278 PolarHBondContact O-N 3.46Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.8Å; A278-V303 WeakPolarHBondContact O-CA 3.4Å; A278-I304 HydrophobicContact CB-CB 4.4Å; A278-I304 PolarHBondContact O-N 3.38Å; A278-V335 HydrophobicContact CB-CG1 3.84Å; A278-V335 HydrophobicContact CB-CG2 3.97Å
279L93.3Very high95.3Very high69 Ų6952.3 Ų52.336%0.36128%0.278SS..Hα-helixtrans-93.9-40.1-178.8-64.9175.1000113.5L275 V276 E277 V303L275-L279 HydrophobicContact CD1-CD1 4.01Å; L275-L279 HydrophobicContact CD1-CG 4.23Å; L275-L279 HydrophobicContact CG-CD1 4.06Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.87Å; L275-L279 VanDerWaalsContact O-N 3.09Å; V276-L279 PolarHBondContact O-N 2.8Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 2.83Å; L279-V303 HydrophobicContact CD2-CG1 4.02Å; L279-V303 HydrophobicContact CD2-CG2 4.14Å
280C93.5Very high95.1Very high78 Ų7854.3 Ų54.353%0.52729%0.289SS..Hα-helixtrans-101.81.6-170.4-60.30000113.6V276 P300V276-C280 HydrophobicContact CG1-CB 4.39Å; V276-C280 WeakPolarHBondContact O-CA 3.4Å; V276-C280 WeakPolarHBondContact O-CB 3.35Å; V276-C280 PolarHBondContact O-N 2.82Å; C280-P300 VanDerWaalsContact O-CA 3.31Å; C280-P300 WeakPolarHBondContact O-CA 3.28Å; C280-P300 VanDerWaalsContact O-CB 3.26Å; C280-P300 WeakPolarHBondContact O-CB 3.31Å
281G94.1Very high95Very high17 Ų1752 Ų5218%0.17528%0.282CS..  trans84.3163.8-17500000112.6E277 Y298E277-G281 CarbonylContact O-C 3.58Å; E277-G281 WeakPolarHBondContact O-CA 3.42Å; E277-G281 PolarHBondContact O-N 2.83Å; G281-Y298 WeakPolarHBondContact CA-O 3.42Å
282F95Very high94.9Very high17 Ų1753.6 Ų53.68%0.07529%0.288CS..EExtended strand (participates in β ladder)trans-153.8166.2-175.860.6-99.4000112I273 E277 F284 Y298 I304 F333I273-F282 HydrophobicContact CD1-CD1 4.18Å; I273-F282 HydrophobicContact CD1-CE1 3.83Å; E277-F282 HydrophobicContact CB-CB 3.87Å; E277-F282 HydrophobicContact CB-CD1 4.2Å; E277-F282 HydrophobicContact CB-CG 4.4Å; E277-F282 HydrophobicContact CG-CB 4.08Å; E277-F282 WeakPolarHBondContact O-CD1 3.23Å; F282-F284 AromaticContact CD2-CD1 3.59Å; F282-F284 HydrophobicContact CD2-CD1 3.59Å; F282-F284 HydrophobicContact CD2-CE1 4.13Å; F282-F284 AromaticContact CE2-CD1 3.4Å; F282-F284 HydrophobicContact CE2-CD1 3.4Å; F282-F284 VanDerWaalsContact CE2-CD1 3.4Å; F282-F284 AromaticContact CE2-CE1 3.44Å; F282-F284 HydrophobicContact CE2-CE1 3.44Å; F282-F284 VanDerWaalsContact CE2-CE1 3.44Å; F282-F284 HydrophobicContact CZ-CE1 4.27Å; F282-Y298 HydrophobicContact CE1-CD1 4.21Å; F282-Y298 HydrophobicContact CE1-CG 4.15Å; F282-Y298 HydrophobicContact CZ-CG 4.14Å; F282-Y298 PolarHBondContact N-O 2.83Å; F282-Y298 PolarHBondContact O-N 3Å; F282-I304 HydrophobicContact CE1-CG1 3.91Å; F282-I304 HydrophobicContact CZ-CG1 4.49Å; F282-F333 HydrophobicContact CE1-CE1 4.22Å; F282-F333 HydrophobicContact CE2-CE1 4.07Å; F282-F333 HydrophobicContact CE2-CZ 4.4Å; F282-F333 HydrophobicContact CZ-CD1 4.27Å; F282-F333 AromaticContact CZ-CE1 3.46Å; F282-F333 HydrophobicContact CZ-CE1 3.46Å; F282-F333 VanDerWaalsContact CZ-CE1 3.46Å; F282-F333 AromaticContact CZ-CZ 3.76Å; F282-F333 HydrophobicContact CZ-CZ 3.76Å
283Q95.2Very high94.8Very high113 Ų11353.6 Ų53.653%0.52829%0.29SS..EExtended strand (participates in β ladder)trans-136.1125.4167172.7177.8-35.600108.4V295 V296 K297Q283-V295 HydrophobicContact CG-CG1 3.68Å; Q283-V296 WeakPolarHBondContact CA-O 3.23Å; Q283-K297 HydrophobicContact CB-CG 4.3Å; Q283-K297 HydrophobicContact CG-CG 3.92Å
284F95.3Very high94.8Very high11 Ų1154.3 Ų54.35%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-129.5164.7173.172.5-94.7000111.7Y271 F282 F286 V295 V296 I331 F333Y271-F284 AromaticContact CD1-CD1 3.87Å; Y271-F284 HydrophobicContact CD1-CD1 3.87Å; Y271-F284 HydrophobicContact CD1-CD2 4.25Å; Y271-F284 AromaticContact CD1-CE1 3.81Å; Y271-F284 HydrophobicContact CD1-CE1 3.81Å; Y271-F284 HydrophobicContact CD1-CE2 4.18Å; Y271-F284 HydrophobicContact CD1-CG 4.1Å; Y271-F284 AromaticContact CD1-CZ 3.98Å; Y271-F284 HydrophobicContact CD1-CZ 3.98Å; Y271-F284 HydrophobicContact CD2-CD2 4.17Å; Y271-F284 AromaticContact CD2-CE2 3.93Å; Y271-F284 HydrophobicContact CD2-CE2 3.93Å; Y271-F284 HydrophobicContact CD2-CZ 4.35Å; Y271-F284 HydrophobicContact CE1-CB 3.77Å; Y271-F284 AromaticContact CE1-CD1 3.53Å; Y271-F284 HydrophobicContact CE1-CD1 3.53Å; Y271-F284 AromaticContact CE1-CD2 3.76Å; Y271-F284 HydrophobicContact CE1-CD2 3.76Å; Y271-F284 AromaticContact CE1-CE1 3.97Å; Y271-F284 HydrophobicContact CE1-CE1 3.97Å; Y271-F284 HydrophobicContact CE1-CE2 4.16Å; Y271-F284 AromaticContact CE1-CG 3.43Å; Y271-F284 HydrophobicContact CE1-CG 3.43Å; Y271-F284 VanDerWaalsContact CE1-CG 3.43Å; Y271-F284 HydrophobicContact CE1-CZ 4.27Å; Y271-F284 AromaticContact CE2-CD2 3.66Å; Y271-F284 HydrophobicContact CE2-CD2 3.66Å; Y271-F284 AromaticContact CE2-CE2 3.9Å; Y271-F284 HydrophobicContact CE2-CE2 3.9Å; Y271-F284 HydrophobicContact CE2-CG 4.19Å; Y271-F284 HydrophobicContact CG-CD2 4.44Å; Y271-F284 HydrophobicContact CG-CE1 4.33Å; Y271-F284 HydrophobicContact CG-CE2 4.08Å; Y271-F284 HydrophobicContact CG-CZ 4.03Å; Y271-F284 AromaticContact CZ-CD2 3.44Å; Y271-F284 VanDerWaalsContact CZ-CD2 3.44Å; Y271-F284 AromaticContact CZ-CG 3.48Å; Y271-F284 VanDerWaalsContact CZ-CG 3.48Å; Y271-F284 VanDerWaalsContact OH-CB 3.24Å; Y271-F284 WeakPolarHBondContact OH-CB 3.39Å; F282-F284 AromaticContact CD2-CD1 3.59Å; F282-F284 HydrophobicContact CD2-CD1 3.59Å; F282-F284 HydrophobicContact CD2-CE1 4.13Å; F282-F284 AromaticContact CE2-CD1 3.4Å; F282-F284 HydrophobicContact CE2-CD1 3.4Å; F282-F284 VanDerWaalsContact CE2-CD1 3.4Å; F282-F284 AromaticContact CE2-CE1 3.44Å; F282-F284 HydrophobicContact CE2-CE1 3.44Å; F282-F284 VanDerWaalsContact CE2-CE1 3.44Å; F282-F284 HydrophobicContact CZ-CE1 4.27Å; F284-F286 HydrophobicContact CD2-CD1 4.22Å; F284-F286 AromaticContact CE2-CD1 3.63Å; F284-F286 HydrophobicContact CE2-CD1 3.63Å; F284-F286 HydrophobicContact CE2-CE1 4.31Å; F284-F286 HydrophobicContact CE2-CG 4.49Å; F284-V295 WeakPolarHBondContact O-CA 3.39Å; F284-V296 HydrophobicContact CD1-CB 4.19Å; F284-V296 HydrophobicContact CE1-CB 3.78Å; F284-V296 HydrophobicContact CE1-CG1 3.86Å; F284-V296 HydrophobicContact CE1-CG2 4.43Å; F284-V296 HydrophobicContact CE2-CB 4.2Å; F284-V296 HydrophobicContact CE2-CG2 4.12Å; F284-V296 HydrophobicContact CZ-CB 3.78Å; F284-V296 HydrophobicContact CZ-CG1 4.08Å; F284-V296 HydrophobicContact CZ-CG2 3.91Å; F284-V296 PolarHBondContact N-O 2.9Å; F284-V296 PolarHBondContact O-N 2.89Å; F284-I331 HydrophobicContact CZ-CD1 3.96Å; F284-F333 AromaticContact CE1-CE1 3.98Å; F284-F333 HydrophobicContact CE1-CE1 3.98Å; F284-F333 HydrophobicContact CE1-CZ 4.23Å
285T95.8Very high94.8Very high75 Ų7556.7 Ų56.746%0.4630%0.303SS..EExtended strand (participates in β ladder)trans-126146.6174.369.80000110.5I294 V295T285-I294 WeakPolarHBondContact CA-O 3.44Å; T285-V295 HydrophobicContact CG2-CB 4.28Å; T285-V295 HydrophobicContact CG2-CG1 4.22Å; T285-V295 HydrophobicContact CG2-CG2 3.78Å
286F94.9Very high94.9Very high16 Ų1655.4 Ų55.47%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-142.6157.1173.471.3-87.5000110.3F260 F284 H288 I294 V296 L329F260-F286 HydrophobicContact CE1-CD2 4.26Å; F260-F286 HydrophobicContact CE1-CE2 4.05Å; F260-F286 AromaticContact CZ-CD2 3.77Å; F260-F286 HydrophobicContact CZ-CD2 3.77Å; F260-F286 AromaticContact CZ-CE2 3.82Å; F260-F286 HydrophobicContact CZ-CE2 3.82Å; F284-F286 HydrophobicContact CD2-CD1 4.22Å; F284-F286 AromaticContact CE2-CD1 3.63Å; F284-F286 HydrophobicContact CE2-CD1 3.63Å; F284-F286 HydrophobicContact CE2-CE1 4.31Å; F284-F286 HydrophobicContact CE2-CG 4.49Å; F286-H288 HydrophobicContact CE2-CB 4.44Å; F286-H288 AromaticContact CE2-CD2 3.98Å; F286-I294 HydrophobicContact CD1-CB 4.29Å; F286-I294 HydrophobicContact CE1-CB 3.78Å; F286-I294 HydrophobicContact CE1-CG2 3.73Å; F286-I294 HydrophobicContact CE2-CB 4.32Å; F286-I294 HydrophobicContact CE2-CD1 4.08Å; F286-I294 HydrophobicContact CZ-CB 3.78Å; F286-I294 HydrophobicContact CZ-CD1 3.78Å; F286-I294 HydrophobicContact CZ-CG1 4.33Å; F286-I294 HydrophobicContact CZ-CG2 3.92Å; F286-I294 PolarHBondContact N-O 2.68Å; F286-I294 VanDerWaalsContact N-O 3.09Å; F286-I294 PolarHBondContact O-N 3.27Å; F286-V296 HydrophobicContact CD1-CG2 4.22Å; F286-V296 HydrophobicContact CE1-CG2 3.68Å; F286-L329 HydrophobicContact CE1-CD2 4.12Å; F286-L329 HydrophobicContact CE2-CD2 3.83Å; F286-L329 HydrophobicContact CZ-CD2 3.29Å
287K96.1Very high95Very high141 Ų14157.4 Ų57.461%0.61330%0.297SS*.EExtended strand (participates in β ladder)trans-88.6123176.9-169.5179.7175.9-173.70109.7
288H96.2Very high95Very high6 Ų655.7 Ų55.73%0.02829%0.287CS..  trans-81.2172.1174.1-157.1-75.4000111.3Y128 F286 D290 G291 R292 I294 E315Y128-H288 AromaticContact CE2-CE1 3.38Å; Y128-H288 WeakPolarHBondContact CE2-CE1 3.37Å; Y128-H288 AromaticContact CE2-ND1 3.87Å; Y128-H288 AromaticContact CZ-CE1 3.67Å; Y128-H288 AromaticContact CZ-ND1 3.75Å; F286-H288 HydrophobicContact CE2-CB 4.44Å; F286-H288 AromaticContact CE2-CD2 3.98Å; H288-D290 VanDerWaalsContact C-N 3.26Å; H288-D290 PolarHBondContact O-N 2.99Å; H288-G291 WeakPolarHBondContact O-CA 3.3Å; H288-G291 PolarHBondContact O-N 2.94Å; H288-R292 PolarHBondContact N-O 3.39Å; H288-I294 HydrophobicContact CB-CD1 3.81Å; H288-I294 HydrophobicContact CB-CG1 4.34Å; H288-I294 VanDerWaalsContact CD2-CD1 3.41Å; H288-I294 WeakPolarHBondContact CD2-CD1 3.12Å; H288-E315 IonicContact CD2-OE2 3.66Å; H288-E315 PolarHBondContact NE2-O 3.09Å; H288-E315 IonicContact NE2-OE2 3.89Å
289L95.8Very high95Very high6 Ų658.5 Ų58.53%0.03131%0.305CS..THydrogen-bonded Turntrans-63.7-23.8-178.7-61.3171.8000113.8L124 E125 Y128 N129 F260 L267 G291 M317L124-L289 HydrophobicContact CB-CD2 4.14Å; L124-L289 HydrophobicContact CD2-CD1 3.98Å; L124-L289 HydrophobicContact CD2-CD2 3.92Å; L124-L289 HydrophobicContact CG-CD1 3.74Å; L124-L289 HydrophobicContact CG-CD2 3.9Å; E125-L289 HydrophobicContact CG-CB 4.48Å; E125-L289 HydrophobicContact CG-CD2 3.95Å; Y128-L289 HydrophobicContact CD1-CB 4.03Å; Y128-L289 HydrophobicContact CD2-CB 3.97Å; Y128-L289 HydrophobicContact CD2-CD1 3.71Å; Y128-L289 HydrophobicContact CD2-CG 4.47Å; Y128-L289 HydrophobicContact CG-CB 3.65Å; Y128-L289 HydrophobicContact CG-CD1 4.02Å; N129-L289 PolarHBondContact ND2-O 2.79Å; F260-L289 HydrophobicContact CD2-CD2 3.76Å; F260-L289 HydrophobicContact CD2-CG 4.21Å; F260-L289 HydrophobicContact CE2-CD2 4.21Å; F260-L289 HydrophobicContact CE2-CG 4.42Å; L267-L289 HydrophobicContact CD1-CD1 3.65Å; L267-L289 HydrophobicContact CD1-CG 4.49Å; L267-L289 HydrophobicContact CD2-CD1 4.37Å; L289-G291 VanDerWaalsContact C-N 3.32Å; L289-M317 HydrophobicContact CD1-SD 3.64Å
290D94.1Very high94.9Very high51 Ų5160.3 Ų60.327%0.27332%0.321SS..THydrogen-bonded Turntrans-85.6-1.7170.348.534000114.2Y128 N129 H288 R292Y128-D290 HydrophobicContact CD1-CB 4.15Å; Y128-D290 HydrophobicContact CE1-CB 3.6Å; Y128-D290 WeakPolarHBondContact CE1-OD2 3.36Å; Y128-D290 PolarHBondContact OH-OD2 2.93Å; N129-D290 WeakPolarHBondContact OD1-CA 3.46Å; H288-D290 VanDerWaalsContact C-N 3.26Å; H288-D290 PolarHBondContact O-N 2.99Å; D290-R292 VanDerWaalsContact C-N 3.33Å; D290-R292 VanDerWaalsContact CG-NE 3.31Å; D290-R292 VanDerWaalsContact OD1-CB 3.25Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 WeakPolarHBondContact OD1-CG 3.41Å; D290-R292 IonicContact OD1-CZ 2.68Å; D290-R292 PolarHBondContact OD1-N 3.2Å; D290-R292 IonicContact OD1-NE 3.64Å; D290-R292 PolarHBondContact OD1-NE 3.01Å; D290-R292 IonicContact OD1-NH2 3.7Å; D290-R292 IonicContact OD2-CZ 3.14Å; D290-R292 VanDerWaalsContact OD2-CZ 3.28Å; D290-R292 IonicContact OD2-NE 2.97Å; D290-R292 PolarHBondContact OD2-NE 3.45Å; D290-R292 IonicContact OD2-NH2 3.84Å; D290-R292 PolarHBondContact OD2-NH2 3.41Å
291G93.8Very high94.6Very high36 Ų3660 Ų6037%0.37133%0.331SS..SBendtrans82.21.8-177.100000115.2H288 L289H288-G291 WeakPolarHBondContact O-CA 3.3Å; H288-G291 PolarHBondContact O-N 2.94Å; L289-G291 VanDerWaalsContact C-N 3.32Å
292R94.8Very high94.6Very high100 Ų10065 Ų6538%0.37735%0.348SS..PPolyproline II helixtrans-65.9144.4169.3-67-177.8-65.61237.5110.2H288 D290 E315H288-R292 PolarHBondContact N-O 3.39Å; D290-R292 VanDerWaalsContact C-N 3.33Å; D290-R292 VanDerWaalsContact CG-NE 3.31Å; D290-R292 VanDerWaalsContact OD1-CB 3.25Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 WeakPolarHBondContact OD1-CG 3.41Å; D290-R292 IonicContact OD1-CZ 2.68Å; D290-R292 PolarHBondContact OD1-N 3.2Å; D290-R292 IonicContact OD1-NE 3.64Å; D290-R292 PolarHBondContact OD1-NE 3.01Å; D290-R292 IonicContact OD1-NH2 3.7Å; D290-R292 IonicContact OD2-CZ 3.14Å; D290-R292 VanDerWaalsContact OD2-CZ 3.28Å; D290-R292 IonicContact OD2-NE 2.97Å; D290-R292 PolarHBondContact OD2-NE 3.45Å; D290-R292 IonicContact OD2-NH2 3.84Å; D290-R292 PolarHBondContact OD2-NH2 3.41Å; R292-E315 IonicContact CZ-OE1 2.81Å; R292-E315 IonicContact CZ-OE2 2.7Å; R292-E315 IonicContact NH1-OE1 3.32Å; R292-E315 PolarHBondContact NH1-OE1 3.48Å; R292-E315 VanDerWaalsContact NH1-OE1 3.14Å; R292-E315 IonicContact NH1-OE2 3.86Å; R292-E315 IonicContact NH2-OE1 3.23Å; R292-E315 IonicContact NH2-OE2 2.88Å; R292-E315 PolarHBondContact NH2-OE2 2.71Å
293Q95.6Very high94.5Very high124 Ų12467.8 Ų67.858%0.57937%0.366SS*.EExtended strand (participates in β ladder)trans-88.3118168.8-65.4-69.382.100108.9
294I95.6Very high94.5Very high18 Ų1862.6 Ų62.69%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-99.2130.7176.7-63177.3000108.4T285 F286 H288 V296 E315T285-I294 WeakPolarHBondContact CA-O 3.44Å; F286-I294 HydrophobicContact CD1-CB 4.29Å; F286-I294 HydrophobicContact CE1-CB 3.78Å; F286-I294 HydrophobicContact CE1-CG2 3.73Å; F286-I294 HydrophobicContact CE2-CB 4.32Å; F286-I294 HydrophobicContact CE2-CD1 4.08Å; F286-I294 HydrophobicContact CZ-CB 3.78Å; F286-I294 HydrophobicContact CZ-CD1 3.78Å; F286-I294 HydrophobicContact CZ-CG1 4.33Å; F286-I294 HydrophobicContact CZ-CG2 3.92Å; F286-I294 PolarHBondContact N-O 2.68Å; F286-I294 VanDerWaalsContact N-O 3.09Å; F286-I294 PolarHBondContact O-N 3.27Å; H288-I294 HydrophobicContact CB-CD1 3.81Å; H288-I294 HydrophobicContact CB-CG1 4.34Å; H288-I294 VanDerWaalsContact CD2-CD1 3.41Å; H288-I294 WeakPolarHBondContact CD2-CD1 3.12Å; I294-V296 HydrophobicContact CG2-CG2 4.23Å; I294-E315 HydrophobicContact CD1-CB 4.38Å; I294-E315 VanDerWaalsContact CD1-CD 3.46Å; I294-E315 HydrophobicContact CD1-CG 3.93Å; I294-E315 WeakPolarHBondContact CD1-OE2 3.36Å
295V96.1Very high94.4Very high73 Ų7368.1 Ų68.144%0.44237%0.368SS..EExtended strand (participates in β ladder)trans-100.2116.1174.8-1740000108.5Q283 F284 T285 K297Q283-V295 HydrophobicContact CG-CG1 3.68Å; F284-V295 WeakPolarHBondContact O-CA 3.39Å; T285-V295 HydrophobicContact CG2-CB 4.28Å; T285-V295 HydrophobicContact CG2-CG1 4.22Å; T285-V295 HydrophobicContact CG2-CG2 3.78Å; V295-K297 HydrophobicContact CG1-CG 4.16Å
296V95.5Very high94.4Very high23 Ų2368.5 Ų68.514%0.13937%0.371CS..EExtended strand (participates in β ladder)trans-100.4123.5174-179.10000108.1Q283 F284 F286 I294 V312 I331Q283-V296 WeakPolarHBondContact CA-O 3.23Å; F284-V296 HydrophobicContact CD1-CB 4.19Å; F284-V296 HydrophobicContact CE1-CB 3.78Å; F284-V296 HydrophobicContact CE1-CG1 3.86Å; F284-V296 HydrophobicContact CE1-CG2 4.43Å; F284-V296 HydrophobicContact CE2-CB 4.2Å; F284-V296 HydrophobicContact CE2-CG2 4.12Å; F284-V296 HydrophobicContact CZ-CB 3.78Å; F284-V296 HydrophobicContact CZ-CG1 4.08Å; F284-V296 HydrophobicContact CZ-CG2 3.91Å; F284-V296 PolarHBondContact N-O 2.9Å; F284-V296 PolarHBondContact O-N 2.89Å; F286-V296 HydrophobicContact CD1-CG2 4.22Å; F286-V296 HydrophobicContact CE1-CG2 3.68Å; I294-V296 HydrophobicContact CG2-CG2 4.23Å; V296-V312 HydrophobicContact CG2-CG2 4.27Å; V296-I331 HydrophobicContact CG2-CD1 4.48Å
297K95.1Very high94.3Very high149 Ų14969.4 Ų69.465%0.64839%0.386SS*.EExtended strand (participates in β ladder)trans-114130.4176.4-60.3-170.9-174.2-163.80109.5Q283 V295Q283-K297 HydrophobicContact CB-CG 4.3Å; Q283-K297 HydrophobicContact CG-CG 3.92Å; V295-K297 HydrophobicContact CG1-CG 4.16Å
298Y95Very high94.3Very high45 Ų4563.4 Ų63.418%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-117.6123.2172.4-159.3-107.8000109.5G281 F282 K302 I304G281-Y298 WeakPolarHBondContact CA-O 3.42Å; F282-Y298 HydrophobicContact CE1-CD1 4.21Å; F282-Y298 HydrophobicContact CE1-CG 4.15Å; F282-Y298 HydrophobicContact CZ-CG 4.14Å; F282-Y298 PolarHBondContact N-O 2.83Å; F282-Y298 PolarHBondContact O-N 3Å; Y298-K302 HydrophobicContact CD1-CB 4.35Å; Y298-K302 HydrophobicContact CE1-CB 3.45Å; Y298-K302 VanDerWaalsContact CE1-CB 3.45Å; Y298-K302 VanDerWaalsContact CE1-O 3.29Å; Y298-K302 WeakPolarHBondContact CE1-O 3.4Å; Y298-I304 HydrophobicContact CD1-CD1 4.19Å; Y298-I304 HydrophobicContact CD1-CG1 3.89Å; Y298-I304 HydrophobicContact CD2-CD1 4.4Å; Y298-I304 HydrophobicContact CE1-CD1 3.61Å; Y298-I304 HydrophobicContact CE1-CG1 3.6Å; Y298-I304 HydrophobicContact CE2-CD1 3.89Å; Y298-I304 HydrophobicContact CG-CG1 4.49Å; Y298-I304 VanDerWaalsContact CZ-CD1 3.45Å
299P93.7Very high94.3Very high60 Ų6066.3 Ų66.339%0.3938%0.379SS..  trans-69.4148.1-169.729.2-35.7000112K302P299-K302 HydrophobicContact CG-CD 3.86Å; P299-K302 HydrophobicContact CG-CG 4.18Å
300P92.2Very high94.4Very high107 Ų10770.3 Ų70.370%0.69539%0.394SS*.THydrogen-bonded Turntrans-60.1147.6171.626.6-34.5000111.2C280 K302C280-P300 VanDerWaalsContact O-CA 3.31Å; C280-P300 WeakPolarHBondContact O-CA 3.28Å; C280-P300 VanDerWaalsContact O-CB 3.26Å; C280-P300 WeakPolarHBondContact O-CB 3.31Å; P300-K302 VanDerWaalsContact C-N 3.34Å
301G87.4Confident94.5Very high71 Ų7171 Ų7173%0.73240%0.399SS*.THydrogen-bonded Turntrans84.9-0.1179.900000115
302K92.6Very high94.6Very high123 Ų12370.9 Ų70.954%0.53539%0.392SS..  trans-107.3133.4165.9-63.9-166.7-177.4-175.80109.2Y298 P299 P300Y298-K302 HydrophobicContact CD1-CB 4.35Å; Y298-K302 HydrophobicContact CE1-CB 3.45Å; Y298-K302 VanDerWaalsContact CE1-CB 3.45Å; Y298-K302 VanDerWaalsContact CE1-O 3.29Å; Y298-K302 WeakPolarHBondContact CE1-O 3.4Å; P299-K302 HydrophobicContact CG-CD 3.86Å; P299-K302 HydrophobicContact CG-CG 4.18Å; P300-K302 VanDerWaalsContact C-N 3.34Å
303V93.3Very high94.7Very high76 Ų7675.9 Ų75.946%0.46141%0.411SS..PPolyproline II helixtrans-93.2137.2-177.9179.90000111A278 L279A278-V303 WeakPolarHBondContact O-CA 3.4Å; L279-V303 HydrophobicContact CD2-CG1 4.02Å; L279-V303 HydrophobicContact CD2-CG2 4.14Å
304I95Very high94.7Very high3 Ų371.5 Ų71.52%0.01540%0.398CS..PPolyproline II helixtrans-99.1116165.5-70-56.8000108.6I273 A278 F282 Y298 R310 F333 V335I273-I304 HydrophobicContact CD1-CB 4.04Å; I273-I304 HydrophobicContact CD1-CG2 3.63Å; A278-I304 HydrophobicContact CB-CB 4.4Å; A278-I304 PolarHBondContact O-N 3.38Å; F282-I304 HydrophobicContact CE1-CG1 3.91Å; F282-I304 HydrophobicContact CZ-CG1 4.49Å; Y298-I304 HydrophobicContact CD1-CD1 4.19Å; Y298-I304 HydrophobicContact CD1-CG1 3.89Å; Y298-I304 HydrophobicContact CD2-CD1 4.4Å; Y298-I304 HydrophobicContact CE1-CD1 3.61Å; Y298-I304 HydrophobicContact CE1-CG1 3.6Å; Y298-I304 HydrophobicContact CE2-CD1 3.89Å; Y298-I304 HydrophobicContact CG-CG1 4.49Å; Y298-I304 VanDerWaalsContact CZ-CD1 3.45Å; I304-R310 HydrophobicContact CD1-CG 3.9Å; I304-F333 HydrophobicContact CG2-CB 3.45Å; I304-F333 VanDerWaalsContact CG2-CB 3.45Å; I304-F333 HydrophobicContact CG2-CD1 4.28Å; I304-F333 HydrophobicContact CG2-CD2 4.07Å; I304-F333 HydrophobicContact CG2-CG 3.66Å; I304-V335 HydrophobicContact CG2-CG2 4.33Å
305E94.1Very high94.7Very high128 Ų12872.2 Ų72.260%0.59840%0.401SS*.PPolyproline II helixtrans-77.8147.1176.3-65.6163.8-179.500110.5G307 C308E305-G307 PolarHBondContact O-N 2.87Å; E305-C308 HydrophobicContact CB-CB 4.12Å; E305-C308 WeakPolarHBondContact O-CB 3.45Å; E305-C308 PolarHBondContact O-N 2.84Å; E305-C308 PolarHBondContact O-SG 2.95Å
306P94.9Very high94.7Very high82 Ų8268.8 Ų68.853%0.53238%0.38SS..THydrogen-bonded Turntrans-54.6127.5173.1-22.531.8000111.7C308 V335 F337P306-C308 VanDerWaalsContact C-N 3.26Å; P306-C308 PolarHBondContact O-N 2.91Å; P306-V335 HydrophobicContact CB-CB 4.26Å; P306-V335 HydrophobicContact CB-CG2 4.37Å; P306-V335 HydrophobicContact CG-CB 4.06Å; P306-V335 HydrophobicContact CG-CG2 4.23Å; P306-F337 HydrophobicContact CG-CE2 4.15Å
307G94.3Very high94.8Very high36 Ų3667.7 Ų67.737%0.37137%0.374SS..THydrogen-bonded Turntrans79.2-1.7179.700000115.1E305 F333E305-G307 PolarHBondContact O-N 2.87Å; G307-F333 VanDerWaalsContact CA-O 3.28Å; G307-F333 WeakPolarHBondContact CA-O 3.34Å; G307-F333 PolarHBondContact N-O 2.76Å
308C94.9Very high94.9Very high14 Ų1460.7 Ų60.710%0.09534%0.344CS..  trans-68.7153.6178.681.80000111.8E305 P306 F333E305-C308 HydrophobicContact CB-CB 4.12Å; E305-C308 WeakPolarHBondContact O-CB 3.45Å; E305-C308 PolarHBondContact O-N 2.84Å; E305-C308 PolarHBondContact O-SG 2.95Å; P306-C308 VanDerWaalsContact C-N 3.26Å; P306-C308 PolarHBondContact O-N 2.91Å; C308-F333 PolarHBondContact O-N 3.31Å
309V97.1Very high94.9Very high68 Ų6861.5 Ų61.541%0.41235%0.349SS..EExtended strand (participates in β ladder)trans-110.4136.1179.3-176.20000109.5Y330 I331 K332V309-Y330 HydrophobicContact CG1-CD1 3.93Å; V309-Y330 HydrophobicContact CG1-CG 4.38Å; V309-I331 WeakPolarHBondContact CA-O 3.5Å; V309-K332 HydrophobicContact CG2-CB 4.31Å; V309-K332 HydrophobicContact CG2-CG 4.45Å
310R96.4Very high94.9Very high90 Ų9062 Ų6234%0.3434%0.344SS..EExtended strand (participates in β ladder)trans-123.4159.1168.7-54.9-68.4177.4-114.25.5109.9I304 Y330 I331 F333I304-R310 HydrophobicContact CD1-CG 3.9Å; R310-Y330 CarbonylContact O-C 3.37Å; R310-Y330 WeakPolarHBondContact O-CA 3.43Å; R310-I331 PolarHBondContact N-O 3.36Å; R310-I331 PolarHBondContact O-N 2.88Å; R310-F333 HydrophobicContact CB-CE2 3.87Å; R310-F333 HydrophobicContact CG-CD2 4.15Å; R310-F333 HydrophobicContact CG-CE2 3.7Å
311V97.2Very high94.9Very high64 Ų6466.9 Ų66.939%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-116.9135.6-175.365.80000111R313 D328 L329 Y330V311-R313 HydrophobicContact CG2-CG 4.43Å; V311-D328 HydrophobicContact CG2-CB 3.62Å; V311-L329 CarbonylContact C-O 3.55Å; V311-L329 WeakPolarHBondContact CA-O 3.39Å; V311-Y330 HydrophobicContact CB-CD1 4.26Å; V311-Y330 HydrophobicContact CB-CE1 4.25Å; V311-Y330 HydrophobicContact CG2-CD1 4.28Å; V311-Y330 HydrophobicContact CG2-CE1 4.07Å
312V96.3Very high95.2Very high34 Ų3466.1 Ų66.121%0.20633%0.327CS..EExtended strand (participates in β ladder)trans-107.4105.3164.9-175.50000106.8V296 E315 L329 I331V296-V312 HydrophobicContact CG2-CG2 4.27Å; V312-E315 HydrophobicContact CG1-CB 4.05Å; V312-E315 HydrophobicContact CG1-CG 3.74Å; V312-L329 HydrophobicContact CB-CB 4.26Å; V312-L329 PolarHBondContact N-O 3.19Å; V312-L329 PolarHBondContact O-N 3.28Å; V312-I331 HydrophobicContact CG2-CD1 3.83Å
313R96.4Very high95Very high206 Ų20662.6 Ų62.678%0.77732%0.317SS*.THydrogen-bonded Turntrans-68139-173.1-69-174.7176.4178.7-1.3112V311 E315 D328V311-R313 HydrophobicContact CG2-CG 4.43Å; R313-E315 PolarHBondContact O-N 2.82Å; R313-D328 WeakPolarHBondContact CA-OD1 3.21Å
314G95.2Very high94.9Very high31 Ų3168.1 Ų68.132%0.3234%0.335SS..THydrogen-bonded Turntrans72.910.7175.600000115.3K326 G327 D328G314-K326 VanDerWaalsContact O-CD 3.32Å; G314-K326 WeakPolarHBondContact O-CD 3.21Å; G314-G327 CarbonylContact C-O 3.54Å; G314-G327 VanDerWaalsContact CA-O 3.28Å; G314-G327 WeakPolarHBondContact CA-O 3.29Å; G314-G327 PolarHBondContact N-O 3.45Å; G314-D328 PolarHBondContact N-OD1 3.02Å
315E95.9Very high94.9Very high34 Ų3472.7 Ų72.716%0.15936%0.357CS..  trans-109.423.7177-63.9-67.8177.700112.1H288 R292 I294 V312 R313 G327 L329H288-E315 IonicContact CD2-OE2 3.66Å; H288-E315 PolarHBondContact NE2-O 3.09Å; H288-E315 IonicContact NE2-OE2 3.89Å; R292-E315 IonicContact CZ-OE1 2.81Å; R292-E315 IonicContact CZ-OE2 2.7Å; R292-E315 IonicContact NH1-OE1 3.32Å; R292-E315 PolarHBondContact NH1-OE1 3.48Å; R292-E315 VanDerWaalsContact NH1-OE1 3.14Å; R292-E315 IonicContact NH1-OE2 3.86Å; R292-E315 IonicContact NH2-OE1 3.23Å; R292-E315 IonicContact NH2-OE2 2.88Å; R292-E315 PolarHBondContact NH2-OE2 2.71Å; I294-E315 HydrophobicContact CD1-CB 4.38Å; I294-E315 VanDerWaalsContact CD1-CD 3.46Å; I294-E315 HydrophobicContact CD1-CG 3.93Å; I294-E315 WeakPolarHBondContact CD1-OE2 3.36Å; V312-E315 HydrophobicContact CG1-CB 4.05Å; V312-E315 HydrophobicContact CG1-CG 3.74Å; R313-E315 PolarHBondContact O-N 2.82Å; E315-G327 PolarHBondContact N-O 3.15Å; E315-L329 HydrophobicContact CB-CB 4.1Å
316G96.8Very high95Very high0 Ų069.9 Ų69.90%034%0.343CS..SBendtrans-87.4-162.3168.600000113.3Y128 N265 G327 D328Y128-G316 WeakPolarHBondContact CE2-O 3.45Å; N265-G316 CarbonylContact O-C 3.45Å; G316-G327 VanDerWaalsContact CA-C 3.49Å; G316-G327 VanDerWaalsContact CA-O 3.32Å; G316-G327 WeakPolarHBondContact CA-O 3.49Å; G316-G327 PolarHBondContact N-O 2.7Å; G316-D328 WeakPolarHBondContact CA-O 3.3Å
317M97.7Very high95.1Very high0 Ų066.4 Ų66.40%032%0.322CS..PPolyproline II helixtrans-72.9145.6176-68-66.2-75.800112.1L124 L127 Y128 R262 N265 L267 L289 K326 G327L124-M317 HydrophobicContact CD1-CE 3.69Å; L124-M317 HydrophobicContact CD1-SD 3.66Å; L124-M317 HydrophobicContact CG-SD 4.16Å; L127-M317 HydrophobicContact CB-CE 3.71Å; Y128-M317 HydrophobicContact CD2-SD 3.94Å; R262-M317 HydrophobicContact CG-CG 4.01Å; N265-M317 WeakPolarHBondContact O-CA 3.46Å; N265-M317 WeakPolarHBondContact O-CB 3.49Å; N265-M317 PolarHBondContact O-N 2.91Å; L267-M317 HydrophobicContact CD2-CG 3.7Å; L267-M317 HydrophobicContact CD2-SD 4.02Å; L267-M317 HydrophobicContact CG-CG 4.08Å; L289-M317 HydrophobicContact CD1-SD 3.64Å; M317-K326 VanDerWaalsContact O-CA 3.32Å; M317-K326 WeakPolarHBondContact O-CA 3.21Å; M317-G327 PolarHBondContact O-N 3.41Å
318P97.2Very high95.3Very high3 Ų366.7 Ų66.72%0.01932%0.315CS..EExtended strand (participates in β ladder)trans-65.7146.3170.927.3-33.5000111.2Y128 K223 G224 P323 E325 K326Y128-P318 VanDerWaalsContact CD2-CD 3.44Å; Y128-P318 HydrophobicContact CD2-CG 4.39Å; K223-P318 HydrophobicContact CB-CB 4.48Å; K223-P318 HydrophobicContact CB-CG 4.07Å; G224-P318 WeakPolarHBondContact CA-O 2.94Å; P318-P323 HydrophobicContact CB-CB 4.37Å; P318-E325 WeakPolarHBondContact CA-O 3.37Å; P318-K326 HydrophobicContact CB-CG 4.49Å
319Q95.1Very high95.5Very high62 Ų6266 Ų6629%0.2931%0.31SS..EExtended strand (participates in β ladder)trans-73.2137.3172.3-62.5-174.32000110.8R321 N322 E325Q319-R321 PolarHBondContact O-N 2.64Å; Q319-N322 HydrophobicContact CB-CB 4.33Å; Q319-N322 CarbonylContact O-C 3.59Å; Q319-N322 PolarHBondContact O-N 3.36Å; Q319-N322 VanDerWaalsContact O-N 3.11Å; Q319-E325 HydrophobicContact CG-CB 4.1Å; Q319-E325 PolarHBondContact N-O 2.83Å; Q319-E325 PolarHBondContact NE2-OE2 3.33Å; Q319-E325 PolarHBondContact OE1-OE2 3.21Å
320Y93.2Very high95.5Very high70 Ų7066.2 Ų66.228%0.27530%0.304SS..THydrogen-bonded Turntrans-59.4131.7174.5-178.6-123.6000110.8D222 M225 N322D222-Y320 HydrophobicContact CB-CD2 4.21Å; D222-Y320 HydrophobicContact CB-CE2 3.74Å; M225-Y320 HydrophobicContact CG-CD2 3.73Å; M225-Y320 HydrophobicContact CG-CE2 3.69Å; Y320-N322 PolarHBondContact O-N 2.82Å; Y320-N322 VanDerWaalsContact O-N 3.11Å
321R92.7Very high95.6Very high209 Ų20962 Ų6279%0.78929%0.288SS*.THydrogen-bonded Turntrans66.6-10.6-173.8-56.1177.6173.4-177.2-3.2116.3Q319Q319-R321 PolarHBondContact O-N 2.64Å
322N93.7Very high95.6Very high55 Ų5564.1 Ų64.129%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-129.567.1173.2-169.212.2000110.8Q319 Y320 F324 E325Q319-N322 HydrophobicContact CB-CB 4.33Å; Q319-N322 CarbonylContact O-C 3.59Å; Q319-N322 PolarHBondContact O-N 3.36Å; Q319-N322 VanDerWaalsContact O-N 3.11Å; Y320-N322 PolarHBondContact O-N 2.82Å; Y320-N322 VanDerWaalsContact O-N 3.11Å; N322-F324 PolarHBondContact O-N 3.07Å; N322-E325 WeakPolarHBondContact ND2-CG 3.08Å; N322-E325 PolarHBondContact ND2-OE1 3.31Å; N322-E325 PolarHBondContact O-N 2.81Å; N322-E325 VanDerWaalsContact O-N 3.08Å
323P88.4Confident95.6Very high49 Ų4962.8 Ų62.832%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-68.4-7.5-170.629.2-36.9000114.6K223 P318K223-P323 HydrophobicContact CB-CB 4.17Å; K223-P323 HydrophobicContact CD-CB 4.05Å; P318-P323 HydrophobicContact CB-CB 4.37Å
324F91.1Very high95.6Very high192 Ų19256.1 Ų56.184%0.84226%0.263SS*.EExtended strand (participates in β ladder)trans-78.7-25.8174.6-59.9-73.7000112.3N322N322-F324 PolarHBondContact O-N 3.07Å
325E95Very high95.7Very high100 Ų10055.2 Ų55.247%0.46725%0.251SS..EExtended strand (participates in β ladder)trans-91.1130.5171.1-71.9-179-152.600109.7P318 Q319 N322P318-E325 WeakPolarHBondContact CA-O 3.37Å; Q319-E325 HydrophobicContact CG-CB 4.1Å; Q319-E325 PolarHBondContact N-O 2.83Å; Q319-E325 PolarHBondContact NE2-OE2 3.33Å; Q319-E325 PolarHBondContact OE1-OE2 3.21Å; N322-E325 WeakPolarHBondContact ND2-CG 3.08Å; N322-E325 PolarHBondContact ND2-OE1 3.31Å; N322-E325 PolarHBondContact O-N 2.81Å; N322-E325 VanDerWaalsContact O-N 3.08Å
326K96.4Very high95.7Very high69 Ų6958.6 Ų58.630%0.327%0.267SS..EExtended strand (participates in β ladder)trans-123.2152.4178.1-61.9179.8-177.9-179.20109.2Y128 G314 M317 P318Y128-K326 PolarHBondContact OH-NZ 2.96Å; G314-K326 VanDerWaalsContact O-CD 3.32Å; G314-K326 WeakPolarHBondContact O-CD 3.21Å; M317-K326 VanDerWaalsContact O-CA 3.32Å; M317-K326 WeakPolarHBondContact O-CA 3.21Å; P318-K326 HydrophobicContact CB-CG 4.49Å
327G96.5Very high95.5Very high9 Ų965 Ų659%0.09330%0.295CS..  trans-72.4-163.5164.500000111.9N265 D266 G314 E315 G316 M317N265-G327 VanDerWaalsContact O-CA 3.31Å; N265-G327 WeakPolarHBondContact O-CA 3.49Å; D266-G327 VanDerWaalsContact OD1-CA 3.24Å; D266-G327 WeakPolarHBondContact OD1-CA 3.2Å; G314-G327 CarbonylContact C-O 3.54Å; G314-G327 VanDerWaalsContact CA-O 3.28Å; G314-G327 WeakPolarHBondContact CA-O 3.29Å; G314-G327 PolarHBondContact N-O 3.45Å; E315-G327 PolarHBondContact N-O 3.15Å; G316-G327 VanDerWaalsContact CA-C 3.49Å; G316-G327 VanDerWaalsContact CA-O 3.32Å; G316-G327 WeakPolarHBondContact CA-O 3.49Å; G316-G327 PolarHBondContact N-O 2.7Å; M317-G327 PolarHBondContact O-N 3.41Å
328D98Very high95.3Very high42 Ų4267.5 Ų67.523%0.22531%0.312CS..  trans-111.4158-176.4-68.7-23.3000112D266 L267 V311 R313 G314 G316 Y330D266-D328 CarbonylContact C-O 3.53Å; D266-D328 VanDerWaalsContact CA-O 3.28Å; D266-D328 WeakPolarHBondContact CA-O 3.27Å; D266-D328 WeakPolarHBondContact CB-O 3.12Å; D266-D328 PolarHBondContact OD1-N 2.79Å; L267-D328 PolarHBondContact N-O 2.84Å; V311-D328 HydrophobicContact CG2-CB 3.62Å; R313-D328 WeakPolarHBondContact CA-OD1 3.21Å; G314-D328 PolarHBondContact N-OD1 3.02Å; G316-D328 WeakPolarHBondContact CA-O 3.3Å; D328-Y330 HydrophobicContact CB-CE2 4.17Å
329L98.1Very high95Very high0 Ų075.4 Ų75.40%035%0.348CS..EExtended strand (participates in β ladder)trans-103.3116.6171.5172.567.7000109.9F260 L267 M269 F286 V311 V312 E315 I331F260-L329 HydrophobicContact CD1-CD1 3.97Å; F260-L329 HydrophobicContact CE1-CD1 3.97Å; F260-L329 HydrophobicContact CE1-CD2 4.49Å; L267-L329 HydrophobicContact CB-CD1 3.64Å; L267-L329 CarbonylContact O-C 3.54Å; L267-L329 WeakPolarHBondContact O-CA 3.15Å; M269-L329 HydrophobicContact CG-CD1 4.03Å; M269-L329 HydrophobicContact SD-CD1 4.24Å; M269-L329 HydrophobicContact SD-CD2 4.09Å; F286-L329 HydrophobicContact CE1-CD2 4.12Å; F286-L329 HydrophobicContact CE2-CD2 3.83Å; F286-L329 HydrophobicContact CZ-CD2 3.29Å; V311-L329 CarbonylContact C-O 3.55Å; V311-L329 WeakPolarHBondContact CA-O 3.39Å; V312-L329 HydrophobicContact CB-CB 4.26Å; V312-L329 PolarHBondContact N-O 3.19Å; V312-L329 PolarHBondContact O-N 3.28Å; E315-L329 HydrophobicContact CB-CB 4.1Å; L329-I331 HydrophobicContact CD2-CD1 4.17Å; L329-I331 HydrophobicContact CD2-CG1 4.26Å; L329-I331 HydrophobicContact CG-CD1 4.46Å; L329-I331 HydrophobicContact CG-CG1 4.03Å
330Y98.2Very high94.7Very high71 Ų7179.4 Ų79.428%0.27837%0.372SS..EExtended strand (participates in β ladder)trans-93.7124.7173.1-64.1-87000110.5D266 L267 H268 M269 V309 R310 V311 D328D266-Y330 HydrophobicContact CB-CD2 4.07Å; D266-Y330 HydrophobicContact CB-CE2 3.76Å; L267-Y330 PolarHBondContact O-N 2.77Å; H268-Y330 CarbonylContact C-O 3.58Å; H268-Y330 VanDerWaalsContact CA-O 3.3Å; H268-Y330 WeakPolarHBondContact CA-O 3.16Å; H268-Y330 AromaticContact CE1-CD2 3.72Å; H268-Y330 AromaticContact CE1-CG 3.83Å; H268-Y330 AromaticContact NE2-CD2 3.91Å; M269-Y330 PolarHBondContact N-O 3.15Å; V309-Y330 HydrophobicContact CG1-CD1 3.93Å; V309-Y330 HydrophobicContact CG1-CG 4.38Å; R310-Y330 CarbonylContact O-C 3.37Å; R310-Y330 WeakPolarHBondContact O-CA 3.43Å; V311-Y330 HydrophobicContact CB-CD1 4.26Å; V311-Y330 HydrophobicContact CB-CE1 4.25Å; V311-Y330 HydrophobicContact CG2-CD1 4.28Å; V311-Y330 HydrophobicContact CG2-CE1 4.07Å; D328-Y330 HydrophobicContact CB-CE2 4.17Å
331I97.7Very high94.5Very high2 Ų283.5 Ų83.51%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-112.5112.5-179.4-50.3-173.8000107.7M269 F284 V296 V309 R310 V312 L329 F333M269-I331 HydrophobicContact CG-CB 4.21Å; M269-I331 HydrophobicContact CG-CD1 4.5Å; M269-I331 HydrophobicContact CG-CG1 3.83Å; M269-I331 HydrophobicContact CG-CG2 4.05Å; M269-I331 WeakPolarHBondContact O-CA 3.18Å; M269-I331 HydrophobicContact SD-CD1 4.03Å; M269-I331 HydrophobicContact SD-CG1 4Å; M269-I331 HydrophobicContact SD-CG2 4.47Å; F284-I331 HydrophobicContact CZ-CD1 3.96Å; V296-I331 HydrophobicContact CG2-CD1 4.48Å; V309-I331 WeakPolarHBondContact CA-O 3.5Å; R310-I331 PolarHBondContact N-O 3.36Å; R310-I331 PolarHBondContact O-N 2.88Å; V312-I331 HydrophobicContact CG2-CD1 3.83Å; L329-I331 HydrophobicContact CD2-CD1 4.17Å; L329-I331 HydrophobicContact CD2-CG1 4.26Å; L329-I331 HydrophobicContact CG-CD1 4.46Å; L329-I331 HydrophobicContact CG-CG1 4.03Å; I331-F333 HydrophobicContact CB-CE2 3.99Å; I331-F333 HydrophobicContact CB-CZ 4.15Å; I331-F333 HydrophobicContact CG2-CD2 4.34Å; I331-F333 HydrophobicContact CG2-CE1 4.01Å; I331-F333 HydrophobicContact CG2-CE2 3.77Å; I331-F333 HydrophobicContact CG2-CZ 3.6Å
332K97.7Very high94.3Very high109 Ų10980.6 Ų80.647%0.47439%0.388SS..EExtended strand (participates in β ladder)trans-84124.5169.4-176.4-178.7179.3-177.50108.7M269 T270 Y271 V309M269-K332 PolarHBondContact O-N 3.16Å; T270-K332 CarbonylContact C-O 3.58Å; T270-K332 WeakPolarHBondContact CA-O 3.37Å; Y271-K332 PolarHBondContact N-O 2.87Å; V309-K332 HydrophobicContact CG2-CB 4.31Å; V309-K332 HydrophobicContact CG2-CG 4.45Å
333F97.1Very high94.1Very high5 Ų579.8 Ų79.82%0.02238%0.383CS..EExtended strand (participates in β ladder)trans-93.3124.9178.9-70.3-84.3000111.1Y271 I273 F282 F284 I304 G307 C308 R310 I331Y271-F333 HydrophobicContact CD1-CE1 4.29Å; Y271-F333 WeakPolarHBondContact O-CA 3.26Å; I273-F333 HydrophobicContact CD1-CB 4.41Å; I273-F333 HydrophobicContact CD1-CD1 3.88Å; I273-F333 HydrophobicContact CD1-CG 4.42Å; I273-F333 HydrophobicContact CG1-CD1 4.27Å; I273-F333 HydrophobicContact CG2-CD1 3.98Å; I273-F333 HydrophobicContact CG2-CE1 4.27Å; F282-F333 HydrophobicContact CE1-CE1 4.22Å; F282-F333 HydrophobicContact CE2-CE1 4.07Å; F282-F333 HydrophobicContact CE2-CZ 4.4Å; F282-F333 HydrophobicContact CZ-CD1 4.27Å; F282-F333 AromaticContact CZ-CE1 3.46Å; F282-F333 HydrophobicContact CZ-CE1 3.46Å; F282-F333 VanDerWaalsContact CZ-CE1 3.46Å; F282-F333 AromaticContact CZ-CZ 3.76Å; F282-F333 HydrophobicContact CZ-CZ 3.76Å; F284-F333 AromaticContact CE1-CE1 3.98Å; F284-F333 HydrophobicContact CE1-CE1 3.98Å; F284-F333 HydrophobicContact CE1-CZ 4.23Å; I304-F333 HydrophobicContact CG2-CB 3.45Å; I304-F333 VanDerWaalsContact CG2-CB 3.45Å; I304-F333 HydrophobicContact CG2-CD1 4.28Å; I304-F333 HydrophobicContact CG2-CD2 4.07Å; I304-F333 HydrophobicContact CG2-CG 3.66Å; G307-F333 VanDerWaalsContact CA-O 3.28Å; G307-F333 WeakPolarHBondContact CA-O 3.34Å; G307-F333 PolarHBondContact N-O 2.76Å; C308-F333 PolarHBondContact O-N 3.31Å; R310-F333 HydrophobicContact CB-CE2 3.87Å; R310-F333 HydrophobicContact CG-CD2 4.15Å; R310-F333 HydrophobicContact CG-CE2 3.7Å; I331-F333 HydrophobicContact CB-CE2 3.99Å; I331-F333 HydrophobicContact CB-CZ 4.15Å; I331-F333 HydrophobicContact CG2-CD2 4.34Å; I331-F333 HydrophobicContact CG2-CE1 4.01Å; I331-F333 HydrophobicContact CG2-CE2 3.77Å; I331-F333 HydrophobicContact CG2-CZ 3.6Å
334D96.6Very high94.2Very high67 Ų6781.8 Ų81.836%0.35839%0.391SS..EExtended strand (participates in β ladder)trans-102.8109.8171-178.322000108.1T270 Y271 K272 I273T270-D334 HydrophobicContact CG2-CB 4.15Å; Y271-D334 PolarHBondContact O-N 2.9Å; K272-D334 WeakPolarHBondContact CA-O 3.32Å; K272-D334 WeakPolarHBondContact CE-OD2 3.45Å; K272-D334 HydrophobicContact CG-CB 4.01Å; I273-D334 PolarHBondContact N-O 2.86Å
335V96.3Very high94.2Very high11 Ų1177 Ų777%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-90.9113.8-174.6-179.80000108.8I273 L275 A278 I304 P306 F337I273-V335 HydrophobicContact CD1-CG2 4.21Å; I273-V335 HydrophobicContact CG1-CG2 4.06Å; I273-V335 CarbonylContact O-C 3.56Å; I273-V335 WeakPolarHBondContact O-CA 3.25Å; L275-V335 HydrophobicContact CD1-CG1 4.35Å; A278-V335 HydrophobicContact CB-CG1 3.84Å; A278-V335 HydrophobicContact CB-CG2 3.97Å; I304-V335 HydrophobicContact CG2-CG2 4.33Å; P306-V335 HydrophobicContact CB-CB 4.26Å; P306-V335 HydrophobicContact CB-CG2 4.37Å; P306-V335 HydrophobicContact CG-CB 4.06Å; P306-V335 HydrophobicContact CG-CG2 4.23Å; V335-F337 HydrophobicContact CG1-CD2 4.5Å; V335-F337 HydrophobicContact CG1-CE2 4.22Å; V335-F337 PolarHBondContact O-N 2.97Å
336Q95.5Very high94Very high105 Ų10578 Ų7849%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-85.3111.3178.1-59.3-165.9-43.200109.7K272 I273 L275K272-Q336 HydrophobicContact CB-CG 4.48Å; I273-Q336 PolarHBondContact O-N 3.22Å; L275-Q336 PolarHBondContact N-O 3.07Å; L275-Q336 VanDerWaalsContact N-O 3.16Å
337F93.8Very high93.8Very high134 Ų13480.1 Ų80.159%0.58840%0.397SS*.PPolyproline II helixtrans-72.4148.8169.1-77.8-102.2000109.8L275 P306 V335L275-F337 HydrophobicContact CD1-CD1 4.42Å; L275-F337 HydrophobicContact CD1-CE1 3.9Å; L275-F337 HydrophobicContact CD1-CZ 4.04Å; L275-F337 HydrophobicContact CD2-CD1 3.96Å; L275-F337 HydrophobicContact CD2-CE1 4Å; P306-F337 HydrophobicContact CG-CE2 4.15Å; V335-F337 HydrophobicContact CG1-CD2 4.5Å; V335-F337 HydrophobicContact CG1-CE2 4.22Å; V335-F337 PolarHBondContact O-N 2.97Å
338P92.3Very high93.4Very high53 Ų5383.6 Ų83.634%0.34441%0.413SS..PPolyproline II helixtrans-63.4156.6174.929.2-35.6000111.2W342P338-W342 HydrophobicContact CB-CB 3.92Å; P338-W342 HydrophobicContact CB-CD2 3.8Å; P338-W342 HydrophobicContact CB-CE3 4.5Å; P338-W342 HydrophobicContact CB-CG 3.5Å; P338-W342 VanDerWaalsContact CB-CG 3.5Å; P338-W342 VanDerWaalsContact CG-CD1 3.49Å; P338-W342 HydrophobicContact CG-CD2 3.92Å; P338-W342 HydrophobicContact CG-CG 3.84Å; P338-W342 HydrophobicContact CG-CZ2 4.34Å
339E92.5Very high92.9Very high170 Ų17084.9 Ų84.979%0.79443%0.425SS*.PPolyproline II helixtrans-63.9160.7176.8-63.6-178.917900112.1N341 W342E339-N341 PolarHBondContact O-N 3.26Å; E339-W342 WeakPolarHBondContact O-CB 3.33Å; E339-W342 PolarHBondContact O-N 2.86Å
340N88.2Confident92.6Very high145 Ų14590.7 Ų90.778%0.77545%0.452SS*.THydrogen-bonded Turntrans-58.5139.7175.6-68.7-22.7000110.5W342N340-W342 VanDerWaalsContact C-N 3.29Å; N340-W342 PolarHBondContact O-N 2.75Å
341N88.1Confident92.2Very high157 Ų15790.2 Ų90.284%0.8445%0.454SS*.THydrogen-bonded Turntrans63.823.2-177.8-49.3-52.6000115.6E339 I343E339-N341 PolarHBondContact O-N 3.26Å; N341-I343 PolarHBondContact O-N 3.33Å
342W89.6Confident91.7Very high148 Ų14894.1 Ų94.156%0.56147%0.472SS*.  trans-62.2-21.7177.174.5-82.1000114.4P338 E339 N340 L351P338-W342 HydrophobicContact CB-CB 3.92Å; P338-W342 HydrophobicContact CB-CD2 3.8Å; P338-W342 HydrophobicContact CB-CE3 4.5Å; P338-W342 HydrophobicContact CB-CG 3.5Å; P338-W342 VanDerWaalsContact CB-CG 3.5Å; P338-W342 VanDerWaalsContact CG-CD1 3.49Å; P338-W342 HydrophobicContact CG-CD2 3.92Å; P338-W342 HydrophobicContact CG-CG 3.84Å; P338-W342 HydrophobicContact CG-CZ2 4.34Å; E339-W342 WeakPolarHBondContact O-CB 3.33Å; E339-W342 PolarHBondContact O-N 2.86Å; N340-W342 VanDerWaalsContact C-N 3.29Å; N340-W342 PolarHBondContact O-N 2.75Å; W342-L351 HydrophobicContact CZ2-CD2 4.28Å
343I89.7Confident91.4Very high38 Ų3895.6 Ų95.620%0.19549%0.485CS..SBendtrans-129.1141.8-179-166.4167.3000110.6N341 K347 L348N341-I343 PolarHBondContact O-N 3.33Å; I343-K347 HydrophobicContact CD1-CB 3.68Å; I343-K347 HydrophobicContact CD1-CD 4.37Å; I343-K347 HydrophobicContact CG1-CB 3.83Å; I343-K347 HydrophobicContact CG1-CD 4.33Å; I343-L348 HydrophobicContact CG2-CD2 3.51Å; I343-L348 HydrophobicContact CG2-CG 4.28Å
344N90.6Very high91Very high90 Ų90102.4 Ų102.448%0.48152%0.521SS..  trans-62.1132.1174.6-177.410.8000109.8D346 K347N344-D346 PolarHBondContact ND2-OD2 3.09Å; N344-D346 PolarHBondContact O-N 2.9Å; N344-K347 PolarHBondContact O-N 3.1Å
345P90.5Very high90.7Very high91 Ų91103.5 Ų103.559%0.59153%0.526SS*.G310 helixtrans-44.5-35.4176.8-34.934.7000116K347 L348P345-K347 PolarHBondContact O-N 3.39Å; P345-K347 VanDerWaalsContact O-N 3.16Å; P345-L348 HydrophobicContact CB-CD1 4.43Å; P345-L348 WeakPolarHBondContact O-CB 3.37Å; P345-L348 PolarHBondContact O-N 2.78Å
346D91Very high90.3Very high122 Ų122108.6 Ų108.665%0.65256%0.56SS**G310 helixtrans-60.6-25.8179.3-56.2-38.7000113.7N344 S349N344-D346 PolarHBondContact ND2-OD2 3.09Å; N344-D346 PolarHBondContact O-N 2.9Å; D346-S349 PolarHBondContact O-OG 3.43Å
347K91.1Very high89.9Confident114 Ų114109.1 Ų109.150%0.49658%0.575SS.*G310 helixtrans-92.7-4.4179-64-171.2175.8-171.20113.4I343 N344 P345 S349 E350 L351I343-K347 HydrophobicContact CD1-CB 3.68Å; I343-K347 HydrophobicContact CD1-CD 4.37Å; I343-K347 HydrophobicContact CG1-CB 3.83Å; I343-K347 HydrophobicContact CG1-CD 4.33Å; N344-K347 PolarHBondContact O-N 3.1Å; P345-K347 PolarHBondContact O-N 3.39Å; P345-K347 VanDerWaalsContact O-N 3.16Å; K347-S349 PolarHBondContact O-N 3.13Å; K347-E350 PolarHBondContact O-N 2.82Å; K347-L351 PolarHBondContact O-N 2.93Å; K347-L351 VanDerWaalsContact O-N 3.17Å
348L89.4Confident89.6Confident82 Ų82111.1 Ų111.143%0.42958%0.579SS.*Hα-helixtrans-66.3-30.1177.8-69.3174.6000111.6I343 P345 L351 E352I343-L348 HydrophobicContact CG2-CD2 3.51Å; I343-L348 HydrophobicContact CG2-CG 4.28Å; P345-L348 HydrophobicContact CB-CD1 4.43Å; P345-L348 WeakPolarHBondContact O-CB 3.37Å; P345-L348 PolarHBondContact O-N 2.78Å; L348-L351 HydrophobicContact CD2-CD2 4.47Å; L348-L351 PolarHBondContact O-N 3.46Å; L348-E352 WeakPolarHBondContact O-CB 3.32Å; L348-E352 PolarHBondContact O-N 3.11Å
349S87.3Confident89.3Confident68 Ų68114.1 Ų114.148%0.47660%0.598SS.*Hα-helixtrans-64.6-43.8173.856.90000111.9D346 K347 L351 E352 D353D346-S349 PolarHBondContact O-OG 3.43Å; K347-S349 PolarHBondContact O-N 3.13Å; S349-L351 VanDerWaalsContact C-N 3.26Å; S349-L351 PolarHBondContact O-N 2.94Å; S349-E352 PolarHBondContact O-N 3.02Å; S349-D353 PolarHBondContact O-N 2.69Å
350E91.3Very high88.9Confident123 Ų123115 Ų11558%0.57560%0.602SS**Hα-helixtrans-62.3-35.6175.4-64.5178.1-162.800111.7K347 L354K347-E350 PolarHBondContact O-N 2.82Å; E350-L354 WeakPolarHBondContact O-CG 3.32Å
351L89.4Confident88.7Confident61 Ų61114.1 Ų114.132%0.31960%0.602SS.*Hα-helixtrans-69.6-39.8176.1-178.963.6000111.9W342 K347 L348 S349 D353 L354 L355W342-L351 HydrophobicContact CZ2-CD2 4.28Å; K347-L351 PolarHBondContact O-N 2.93Å; K347-L351 VanDerWaalsContact O-N 3.17Å; L348-L351 HydrophobicContact CD2-CD2 4.47Å; L348-L351 PolarHBondContact O-N 3.46Å; S349-L351 VanDerWaalsContact C-N 3.26Å; S349-L351 PolarHBondContact O-N 2.94Å; L351-D353 VanDerWaalsContact C-N 3.34Å; L351-L354 PolarHBondContact O-N 3.2Å; L351-L355 HydrophobicContact CD1-CD1 4.43Å; L351-L355 HydrophobicContact CG-CD1 4.23Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.78Å
352E88.3Confident88.4Confident83 Ų83111.6 Ų111.639%0.38859%0.594SS.*Hα-helixtrans-63.2-40.1177.3-179.4166.8-16800112L348 S349 L354 L355 R358L348-E352 WeakPolarHBondContact O-CB 3.32Å; L348-E352 PolarHBondContact O-N 3.11Å; S349-E352 PolarHBondContact O-N 3.02Å; E352-L354 PolarHBondContact O-N 3.05Å; E352-L355 PolarHBondContact O-N 3.29Å; E352-L355 VanDerWaalsContact O-N 3.14Å; E352-R358 WeakPolarHBondContact OE1-CD 3.08Å; E352-R358 IonicContact OE1-CZ 3.29Å; E352-R358 VanDerWaalsContact OE1-CZ 3.29Å; E352-R358 IonicContact OE1-NE 2.66Å; E352-R358 PolarHBondContact OE1-NE 2.77Å; E352-R358 IonicContact OE1-NH2 3.28Å; E352-R358 PolarHBondContact OE1-NH2 3.45Å; E352-R358 IonicContact OE2-CZ 3.53Å; E352-R358 IonicContact OE2-NE 3.66Å; E352-R358 IonicContact OE2-NH2 2.7Å; E352-R358 PolarHBondContact OE2-NH2 3.15Å
353D91.1Very high88Confident141 Ų141111.7 Ų111.775%0.75461%0.606SS**Hα-helixtrans-62.8-23.3176.7-70.5-22.7000113.3S349 L351S349-D353 PolarHBondContact O-N 2.69Å; L351-D353 VanDerWaalsContact C-N 3.34Å
354L89.3Confident87.6Confident148 Ų148116 Ų11678%0.77563%0.628SS**Hα-helixtrans-88.6-14.6178.9-66.3172.8000113.6E350 L351 E352E350-L354 WeakPolarHBondContact O-CG 3.32Å; L351-L354 PolarHBondContact O-N 3.2Å; E352-L354 PolarHBondContact O-N 3.05Å
355L89.6Confident87Confident89 Ų89119.1 Ų119.147%0.46664%0.643SS.*SBendtrans-103.1162.1-175.5-68.5175.9000111.6L351 E352 S357L351-L355 HydrophobicContact CD1-CD1 4.43Å; L351-L355 HydrophobicContact CG-CD1 4.23Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.78Å; E352-L355 PolarHBondContact O-N 3.29Å; E352-L355 VanDerWaalsContact O-N 3.14Å; L355-S357 PolarHBondContact O-N 2.97Å
356P87.7Confident86.5Confident119 Ų119117.8 Ų117.877%0.77365%0.646SS**PPolyproline II helixtrans-55.3140.1172.1-24.334.4000111.7
357S87.2Confident85.8Confident116 Ų116121.9 Ų121.981%0.81166%0.661SS**PPolyproline II helixtrans-54.6138.5-179.155.40000112L355L355-S357 PolarHBondContact O-N 2.97Å
358R86.4Confident85.4Confident176 Ų176120.8 Ų120.866%0.66466%0.664SS**PPolyproline II helixtrans-58142.6174.8-58.3-171.9-163.3-163.75.9110.4E352E352-R358 WeakPolarHBondContact OE1-CD 3.08Å; E352-R358 IonicContact OE1-CZ 3.29Å; E352-R358 VanDerWaalsContact OE1-CZ 3.29Å; E352-R358 IonicContact OE1-NE 2.66Å; E352-R358 PolarHBondContact OE1-NE 2.77Å; E352-R358 IonicContact OE1-NH2 3.28Å; E352-R358 PolarHBondContact OE1-NH2 3.45Å; E352-R358 IonicContact OE2-CZ 3.53Å; E352-R358 IonicContact OE2-NE 3.66Å; E352-R358 IonicContact OE2-NH2 2.7Å; E352-R358 PolarHBondContact OE2-NH2 3.15Å
359P86.8Confident85Confident116 Ų116125 Ų12575%0.75368%0.681SS**PPolyproline II helixtrans-60.2149.8168.526.6-32.8000110.1V361P359-V361 PolarHBondContact O-N 3.42Å
360E83.4Confident84.8Confident188 Ų188131 Ų13188%0.87970%0.702SS**PPolyproline II helixtrans-57130.2176.3-67.7-175.7177.300109.9
361V84.2Confident84.7Confident127 Ų127130.7 Ų130.777%0.7771%0.708SS**PPolyproline II helixtrans-61.4127.2176-177.30000107.5P359 N363P359-V361 PolarHBondContact O-N 3.42Å; V361-N363 PolarHBondContact O-N 3.4Å
362P83.2Confident84.6Confident104 Ų104135.5 Ų135.568%0.67573%0.729SS**PPolyproline II helixtrans-55.2129.7-179.8-23.832.1000110.7I364P362-I364 PolarHBondContact O-N 2.86Å
363N80.6Confident84.4Confident149 Ų149139.8 Ų139.880%0.79775%0.754SS**  trans-65.8104.6168.4-85.2-26.9000108.3V361 I365V361-N363 PolarHBondContact O-N 3.4Å; N363-I365 HydrophobicContact CB-CG1 4.47Å; N363-I365 PolarHBondContact O-N 3.27Å; N363-I365 VanDerWaalsContact O-N 3.15Å
364I81.1Confident84.3Confident130 Ų130140.2 Ų140.267%0.66775%0.751SS**  trans-69.8106.3176.4-56.2175.6000107.6P362 T368P362-I364 PolarHBondContact O-N 2.86Å; I364-T368 VanDerWaalsContact CG2-CB 3.43Å; I364-T368 HydrophobicContact CG2-CG2 3.95Å; I364-T368 WeakPolarHBondContact CG2-OG1 3.35Å
365I78.4Confident84.1Confident154 Ų154141.9 Ų141.979%0.7976%0.755SS**  trans-115.8124177.6-56.5171.6000108.4N363N363-I365 HydrophobicContact CB-CG1 4.47Å; N363-I365 PolarHBondContact O-N 3.27Å; N363-I365 VanDerWaalsContact O-N 3.15Å
366G79.1Confident83.9Confident63 Ų63146.3 Ų146.365%0.64977%0.771SS**SBendtrans103.5-174.4-179.100000113.7T368G366-T368 PolarHBondContact O-N 2.84Å; G366-T368 VanDerWaalsContact O-N 3.15Å
367E77.2Confident83.7Confident209 Ų209143.8 Ų143.898%0.97775%0.751SS**SBendtrans-73.799.4174.1-66.3-179.7171.900109.2
368T81.4Confident83.4Confident91 Ų91142.7 Ų142.756%0.55874%0.743SS**  trans-113.5136.3176.4-51.90000109.5I364 G366I364-T368 VanDerWaalsContact CG2-CB 3.43Å; I364-T368 HydrophobicContact CG2-CG2 3.95Å; I364-T368 WeakPolarHBondContact CG2-OG1 3.35Å; G366-T368 PolarHBondContact O-N 2.84Å; G366-T368 VanDerWaalsContact O-N 3.15Å
369E82.6Confident83Confident169 Ų169140 Ų14079%0.7975%0.746SS**  trans-88.2124.8176.7-172.2176.2-178.400110.1V371E369-V371 HydrophobicContact CG-CG1 4.28Å
370E83.5Confident82Confident195 Ų195144.5 Ų144.591%0.91175%0.748SS**  trans-83128.3172.8-174176.1179.300109.4
371V88.3Confident80.7Confident116 Ų116138.2 Ų138.270%0.70373%0.734SS**  trans-126.2137.6179.4-64.90000110.1E369E369-V371 HydrophobicContact CG-CG1 4.28Å
372E87.1Confident79.3Confident163 Ų163138.6 Ų138.676%0.76274%0.742SS**  trans-87.1130176.5-172.5178.9-167.600110.4Q374E372-Q374 PolarHBondContact O-N 3.45Å
373L84.9Confident77.8Confident173 Ų173137.5 Ų137.591%0.90675%0.75SS**  trans-76.2113.6174.1-171.770.4000109.5
374Q87.9Confident76.4Confident150 Ų150134.1 Ų134.170%0.70175%0.75SS**  trans-103.2156.9177-63.1-179.17.800111.1E372 F376E372-Q374 PolarHBondContact O-N 3.45Å; Q374-F376 PolarHBondContact O-N 3.21Å
375E85Confident74.7Confident183 Ų183131.6 Ų131.686%0.85576%0.757SS**  trans-58.3136.1171.9-68.5-172.5168.700110.8D377E375-D377 PolarHBondContact O-N 3.42Å; E375-D377 VanDerWaalsContact O-N 3.13Å
376F85.7Confident73.2Confident182 Ų182133.2 Ų133.280%0.79876%0.761SS**  trans-73.4106.8178179.5-103.8000110.6Q374 S378Q374-F376 PolarHBondContact O-N 3.21Å; F376-S378 PolarHBondContact O-N 2.98Å
377D84Confident71.6Confident65 Ų65141.9 Ų141.935%0.34877%0.774SS.*  trans-75.193.9172.7-173.8-6.6000110.5E375 T379 R380E375-D377 PolarHBondContact O-N 3.42Å; E375-D377 VanDerWaalsContact O-N 3.13Å; D377-T379 PolarHBondContact O-N 3.31Å; D377-T379 WeakPolarHBondContact OD1-CB 3.32Å; D377-T379 PolarHBondContact OD1-N 2.87Å; D377-T379 PolarHBondContact OD1-OG1 3.09Å; D377-T379 PolarHBondContact OD2-OG1 3.27Å; D377-R380 HydrophobicContact CB-CG 4.33Å; D377-R380 PolarHBondContact O-N 2.93Å; D377-R380 WeakPolarHBondContact OD2-CD 3.14Å; D377-R380 VanDerWaalsContact OD2-CG 3.26Å; D377-R380 WeakPolarHBondContact OD2-CG 3.3Å; D377-R380 IonicContact OD2-CZ 3.88Å; D377-R380 IonicContact OD2-NE 2.91Å; D377-R380 PolarHBondContact OD2-NE 3.21Å
378S80Confident70.1Confident94 Ų94143.2 Ų143.266%0.65777%0.77SS**THydrogen-bonded Turntrans-60.7-13.6177.658.30000114.2F376F376-S378 PolarHBondContact O-N 2.98Å
379T78.6Confident68.4Low118 Ų118147.4 Ų147.472%0.72478%0.783SS**THydrogen-bonded Turntrans-85.9-16.218073.10000113.8D377D377-T379 PolarHBondContact O-N 3.31Å; D377-T379 WeakPolarHBondContact OD1-CB 3.32Å; D377-T379 PolarHBondContact OD1-N 2.87Å; D377-T379 PolarHBondContact OD1-OG1 3.09Å; D377-T379 PolarHBondContact OD2-OG1 3.27Å
380R66.4Low66.5Low211 Ų211143.7 Ų143.780%0.79678%0.782SS**SBendtrans-86.4-4.6-177.5-75.1178.1-173.1-155.3-5114.8D377D377-R380 HydrophobicContact CB-CG 4.33Å; D377-R380 PolarHBondContact O-N 2.93Å; D377-R380 WeakPolarHBondContact OD2-CD 3.14Å; D377-R380 VanDerWaalsContact OD2-CG 3.26Å; D377-R380 WeakPolarHBondContact OD2-CG 3.3Å; D377-R380 IonicContact OD2-CZ 3.88Å; D377-R380 IonicContact OD2-NE 2.91Å; D377-R380 PolarHBondContact OD2-NE 3.21Å
381G56.3Low65.1Low57 Ų57145.5 Ų145.559%0.58878%0.782SS**SBendtrans-114.566-172.100000114.9
382S54.3Low63.1Low134 Ų134147.3 Ų147.394%0.93779%0.787SS**SBendtrans-15915.5160.4-88.40000115
383G51.9Low61.1Low81 Ų81146.9 Ų146.984%0.83579%0.79SS**SBendtrans-137.476-177.900000112.8
384G51.1Low59.3Low78 Ų78142.6 Ų142.680%0.80478%0.775SS**SBendtrans175.376.4177.700000116.1
385G45.3Very low57.2Low78 Ų78140 Ų14080%0.80477%0.774SS**  trans52.284140.700000119.8
386Q46.6Very low55.5Low188 Ų188137.5 Ų137.588%0.87977%0.766SS**  trans-113.796.4138.3-87.3-174.2-3.500109.1R388Q386-R388 PolarHBondContact O-N 3.17Å
387R44.8Very low53.8Low245 Ų245136.3 Ų136.393%0.92576%0.763SS**  trans-63.3107.7150.7-86.7178.3170.9176.7-3.1106.5
388R46.7Very low52.1Low237 Ų237140.9 Ų140.989%0.89478%0.782SS**  trans-89.1114.6159.6-125.1177.2-177.1-179.10.4106.7Q386Q386-R388 PolarHBondContact O-N 3.17Å
389E46.2Very low50.3Low179 Ų179141 Ų14184%0.83678%0.783SS**  trans-61.1148176.3-65.3-167.8146.900111.4
390A42.4Very low48.7Very low91 Ų91140.5 Ų140.575%0.75278%0.784SS**  trans-61.5132.9-178.700000112.4
391Y53.9Low47.7Very low233 Ų233135 Ų13591%0.91478%0.778SS**  trans-115.9118.6142.2-77-80.4000107.9
392N46.6Very low47.3Very low153 Ų153139.9 Ų139.982%0.81879%0.785SS**  trans-67.4127.5175.9-169.515.3000109.5
393D45.2Very low47.1Very low155 Ų155142.2 Ų142.283%0.82978%0.781SS**  trans-149.684.5146.7-161.116.7000109.8
394S45.6Very low46.7Very low83 Ų83141.6 Ų141.658%0.5877%0.774SS**  trans45.2136.2130-143.90000122
395S44.1Very low46.4Very low96 Ų96144.5 Ų144.567%0.67178%0.779SS**  trans91.5123.5148.9-13.80000115.8
396D49.9Very low46.5Very low129 Ų129144 Ų14469%0.6977%0.774SS**  cis-176.5128.3-6.1-99.2-22.3000102.2
397E50.4Low46.7Very low158 Ų158142.2 Ų142.274%0.73878%0.776SS**  66.5134.1105.8-64.4-156.7167.600113.4
398E47.9Very low46.7Very low161 Ų161139.2 Ų139.275%0.75277%0.772SS**  cis-175.5145.827.5-120.7177165.300104.2
399S42Very low47.3Very low97 Ų97134.3 Ų134.368%0.67877%0.773SS**  173.4130.172.445.20000109.7
400S44.2Very low47.7Very low107 Ų107130.1 Ų130.175%0.74877%0.769SS**  trans48.6137.3132.270.60000120.6
401S45.3Very low48.3Very low95 Ų95133.8 Ų133.866%0.66477%0.77SS**  cis169.9148.3548.10000108.8
402H49.2Very low48.3Very low160 Ų160134.7 Ų134.774%0.74178%0.783SS**  trans94.7107.8149.9-70.223.6000121.5
403H49.3Very low48.4Very low182 Ų182133.8 Ų133.884%0.84378%0.781SS**  37.5134.7123.8-58.9-48.1000119.3
404G44.4Very low48.6Very low68 Ų68132.7 Ų132.770%0.70178%0.778SS**  cis178.917712.400000108
405P44Very low48.7Very low140 Ų140135.4 Ų135.491%0.90979%0.789SS**  trans-94152.5-162.435.7-32.3000114.1
406G48.2Very low49Very low68 Ų68137.8 Ų137.870%0.70180%0.796SS**  trans-169.2102.1174.200000114.9
407V49.8Very low48.9Very low150 Ų150138.3 Ų138.391%0.90980%0.803SS**  trans46.9130.8140.2-154.50000121.3
408Q45.8Very low48.8Very low181 Ų181137 Ų13785%0.84681%0.807SS**  trans-67.5149.7170.1-66.5168.8-41.200113.8
409C59.6Low48.9Very low134 Ų134135.3 Ų135.391%0.90581%0.811SS**  trans-142.7126.5147.3-83.10000109.3
410A53.5Low49.4Very low91 Ų91138.2 Ų138.275%0.75282%0.821SS**  trans-89.4146163.900000109.3
411H56.2Low49.9Very low169 Ų169140.8 Ų140.878%0.78283%0.828SS**  trans-156.1123.6153.2-107.6-76.2000110.4
412Q53.2Low50.3Low252 Ų252145 Ų145100%1.17884%0.842SS**  trans48.80150.2-70.1175.131.400120.8

Retrieved 412 of 412 residues in 66.2 ms (Link to these results)

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