A0A3Q0KJ20_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB (A0A5K4EI30), UniProt , Accession A0A3Q0KJ20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M84.3Confident90Very high47 Ų4776.8 Ų76.823%0.23240%0.401CS..  0-35.90-152.551.8-125.400112.7Q3 Y4 I6 L32 F71M1-Q3 PolarHBondContact O-N 3.39Å; M1-Y4 PolarHBondContact O-N 3.25Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; M1-I6 HydrophobicContact CE-CD1 3.23Å; M1-I6 HydrophobicContact CE-CG1 3.75Å; M1-L32 HydrophobicContact CE-CD1 3.52Å; M1-L32 HydrophobicContact SD-CD1 3.88Å; M1-F71 HydrophobicContact CB-CE2 4.05Å; M1-F71 HydrophobicContact CB-CZ 4.43Å; M1-F71 VanDerWaalsContact N-CE2 3.33Å; M1-F71 HydrophobicContact SD-CE2 4.26Å; M1-F71 HydrophobicContact SD-CZ 3.97Å
2E87.4Confident88.6Confident187 Ų18782.7 Ų82.787%0.87443%0.425SS*.THydrogen-bonded Turntrans-60-26.8177.4-61.6179.2171.600114.6Y4 I24E2-Y4 PolarHBondContact O-N 3.12Å; E2-I24 WeakPolarHBondContact O-CD1 3.44Å
3Q91.2Very high86.7Confident103 Ų10378.9 Ų78.948%0.48142%0.419SS..THydrogen-bonded Turntrans-74.7-1.5176.1-67.4170.9-20.700114M1 H23 I24M1-Q3 PolarHBondContact O-N 3.39Å; Q3-H23 PolarHBondContact O-CD2 3.07Å; Q3-I24 WeakPolarHBondContact O-CG1 3.2Å; Q3-I24 PolarHBondContact O-N 2.81Å
4Y95.1Very high84.9Confident17 Ų1780.6 Ų80.67%0.06745%0.45CS..EExtended strand (participates in β ladder)trans-129.1126.8-170-65.8-79.1000111.9M1 E2 K22 H23 V30 L32 E69 F71 V80M1-Y4 PolarHBondContact O-N 3.25Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; E2-Y4 PolarHBondContact O-N 3.12Å; Y4-K22 WeakPolarHBondContact CA-O 3.38Å; Y4-H23 HydrophobicContact CD1-CB 4.11Å; Y4-H23 HydrophobicContact CE1-CB 3.83Å; Y4-H23 AromaticContact CE1-CD2 3.66Å; Y4-H23 AromaticContact CZ-CD2 3.8Å; Y4-V30 HydrophobicContact CD1-CG2 3.61Å; Y4-V30 HydrophobicContact CE1-CB 4.48Å; Y4-V30 HydrophobicContact CE1-CG1 4.25Å; Y4-V30 HydrophobicContact CE1-CG2 3.6Å; Y4-L32 HydrophobicContact CD1-CD2 4.42Å; Y4-L32 HydrophobicContact CG-CD1 4.47Å; Y4-E69 PolarHBondContact OH-OE1 3.04Å; Y4-F71 HydrophobicContact CD2-CE1 4.13Å; Y4-F71 HydrophobicContact CD2-CZ 4.23Å; Y4-F71 AromaticContact CE2-CE1 3.69Å; Y4-F71 HydrophobicContact CE2-CE1 3.69Å; Y4-F71 HydrophobicContact CE2-CZ 4.25Å; Y4-V80 HydrophobicContact CE1-CG1 4.12Å; Y4-V80 HydrophobicContact CE2-CG2 4.34Å
5S95.6Very high83.8Confident60 Ų6079.5 Ų79.542%0.4244%0.44SS..EExtended strand (participates in β ladder)trans-90.2113.1169.3-179.30000109.8L7 A21 K22S5-L7 PolarHBondContact O-N 3.46Å; S5-A21 CarbonylContact O-C 3.54Å; S5-A21 VanDerWaalsContact O-CA 3.23Å; S5-A21 WeakPolarHBondContact O-CA 3.49Å; S5-A21 WeakPolarHBondContact O-CB 3.46Å; S5-K22 PolarHBondContact N-O 2.76Å; S5-K22 PolarHBondContact O-N 3.43Å
6I95.3Very high83.2Confident75 Ų7575.6 Ų75.639%0.38542%0.423SS..EExtended strand (participates in β ladder)trans-67.1130.8176-60.1-57.5000110.1M1 L19 A21 L32M1-I6 HydrophobicContact CE-CD1 3.23Å; M1-I6 HydrophobicContact CE-CG1 3.75Å; I6-L19 HydrophobicContact CD1-CB 4.26Å; I6-L19 HydrophobicContact CD1-CD1 3.89Å; I6-A21 HydrophobicContact CD1-CB 3.9Å; I6-L32 HydrophobicContact CD1-CD1 3.58Å
7L94.3Very high83.3Confident94 Ų9473.8 Ų73.849%0.49241%0.414SS..EExtended strand (participates in β ladder)trans-105.5-24.6178.9-60.4-178.1000112.8S5 K20 K22 L29S5-L7 PolarHBondContact O-N 3.46Å; L7-K20 HydrophobicContact CB-CB 4.49Å; L7-K20 HydrophobicContact CB-CG 4.23Å; L7-K20 HydrophobicContact CD1-CD 4.45Å; L7-K20 HydrophobicContact CD1-CG 4.22Å; L7-K20 PolarHBondContact N-O 3.45Å; L7-K22 HydrophobicContact CD1-CB 4.21Å; L7-K22 HydrophobicContact CG-CB 4.48Å; L7-L29 HydrophobicContact CD1-CD2 3.51Å
8G92.1Very high83.7Confident29 Ų2971.6 Ų71.630%0.29940%0.403SS..EExtended strand (participates in β ladder)trans161.9174.3178.600000112.4L19 K20G8-L19 CarbonylContact O-C 3.58Å; G8-L19 WeakPolarHBondContact O-CA 3.16Å; G8-K20 PolarHBondContact N-O 2.89Å; G8-K20 PolarHBondContact O-N 3.41Å
9R89.9Confident84.2Confident126 Ų12669.2 Ų69.248%0.47539%0.388SS..EExtended strand (participates in β ladder)trans-88135.5173.1-177178.4-178.5-176.15.6109.5E12 V17 L19R9-E12 IonicContact CZ-OE2 3.59Å; R9-E12 IonicContact NH2-OE1 2.78Å; R9-E12 IonicContact NH2-OE2 3.7Å; R9-E12 PolarHBondContact NH2-OE2 3.01Å; R9-V17 HydrophobicContact CG-CG1 3.89Å; R9-L19 HydrophobicContact CB-CD2 4.01Å; R9-L19 HydrophobicContact CG-CD2 4.27Å
10I87.6Confident84.7Confident80 Ų8067.7 Ų67.741%0.4138%0.377SS..EExtended strand (participates in β ladder)trans-120.6-12.3179.957.9174.5000113.6V18 K20 A31 Y83I10-V18 HydrophobicContact CD1-CG1 3.86Å; I10-V18 HydrophobicContact CG1-CB 4.14Å; I10-V18 HydrophobicContact CG1-CG1 3.76Å; I10-V18 WeakPolarHBondContact CG1-O 3.22Å; I10-V18 PolarHBondContact N-O 2.85Å; I10-K20 HydrophobicContact CD1-CB 4.25Å; I10-K20 HydrophobicContact CG2-CB 3.61Å; I10-K20 HydrophobicContact CG2-CD 4.45Å; I10-A31 HydrophobicContact CD1-CB 4.1Å; I10-Y83 HydrophobicContact CD1-CD2 4.11Å; I10-Y83 HydrophobicContact CD1-CE2 3.85Å
11G77.3Confident85.3Confident27 Ų2764.4 Ų64.428%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-169.2165.917600000114.1V18G11-V18 PolarHBondContact N-O 3.2Å; G11-V18 PolarHBondContact O-N 3.47Å
12E73Confident85.9Confident147 Ų14766.8 Ų66.869%0.68737%0.368SS*.EExtended strand (participates in β ladder)trans-128.8118164.1-157169.8-176.700107.3R9R9-E12 IonicContact CZ-OE2 3.59Å; R9-E12 IonicContact NH2-OE1 2.78Å; R9-E12 IonicContact NH2-OE2 3.7Å; R9-E12 PolarHBondContact NH2-OE2 3.01Å
13G64.3Low86.4Confident34 Ų3459.3 Ų59.335%0.35133%0.334SS..EExtended strand (participates in β ladder)trans-103.7173172.300000110.9H15 G16G13-H15 PolarHBondContact O-N 2.71Å; G13-G16 PolarHBondContact N-O 3.35Å; G13-G16 PolarHBondContact O-N 3.15Å; G13-G16 VanDerWaalsContact O-N 3.09Å
14A61.9Low86.6Confident102 Ų10259.5 Ų59.584%0.84334%0.336SS*.THydrogen-bonded Turntrans-55.6-21.1176.400000113.9
15H67.3Low86.6Confident65 Ų6567 Ų6730%0.30137%0.372SS..THydrogen-bonded Turntrans-109.53-176.1-59.6-54.1000114.5G13 P36G13-H15 PolarHBondContact O-N 2.71Å; H15-P36 WeakPolarHBondContact O-CD 3.46Å
16G74.3Confident86.5Confident17 Ų1767.5 Ų67.518%0.17538%0.376CS..EExtended strand (participates in β ladder)trans139.4-162.5173.800000114.6G13G13-G16 PolarHBondContact N-O 3.35Å; G13-G16 PolarHBondContact O-N 3.15Å; G13-G16 VanDerWaalsContact O-N 3.09Å
17V84.7Confident86.5Confident44 Ų4465.4 Ų65.427%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-93.1137.9-173-179.60000110.5R9 L19 K34R9-V17 HydrophobicContact CG-CG1 3.89Å; V17-L19 HydrophobicContact CG1-CD2 3.7Å; V17-L19 HydrophobicContact CG1-CG 4.2Å; V17-K34 PolarHBondContact O-N 3.48Å
18V90.7Very high86.5Confident35 Ų3565.3 Ų65.321%0.21237%0.37CS..EExtended strand (participates in β ladder)trans-106.1123.9172.1-168.20000109.3I10 G11 A31 L32 K33I10-V18 HydrophobicContact CD1-CG1 3.86Å; I10-V18 HydrophobicContact CG1-CB 4.14Å; I10-V18 HydrophobicContact CG1-CG1 3.76Å; I10-V18 WeakPolarHBondContact CG1-O 3.22Å; I10-V18 PolarHBondContact N-O 2.85Å; G11-V18 PolarHBondContact N-O 3.2Å; G11-V18 PolarHBondContact O-N 3.47Å; V18-A31 HydrophobicContact CG1-CB 4.21Å; V18-L32 CarbonylContact C-O 3.49Å; V18-L32 WeakPolarHBondContact CA-O 3.06Å; V18-K33 HydrophobicContact CG2-CB 4.5Å; V18-K33 HydrophobicContact CG2-CG 4.3Å
19L93.4Very high86.7Confident25 Ų2567 Ų6713%0.13137%0.372CS..EExtended strand (participates in β ladder)trans-113139.5-179.9-55.4173.9000110.4I6 G8 R9 V17 A31 L32 K34I6-L19 HydrophobicContact CD1-CB 4.26Å; I6-L19 HydrophobicContact CD1-CD1 3.89Å; G8-L19 CarbonylContact O-C 3.58Å; G8-L19 WeakPolarHBondContact O-CA 3.16Å; R9-L19 HydrophobicContact CB-CD2 4.01Å; R9-L19 HydrophobicContact CG-CD2 4.27Å; V17-L19 HydrophobicContact CG1-CD2 3.7Å; V17-L19 HydrophobicContact CG1-CG 4.2Å; L19-A31 CarbonylContact O-C 3.52Å; L19-A31 WeakPolarHBondContact O-CA 3.22Å; L19-L32 HydrophobicContact CB-CB 4.32Å; L19-L32 PolarHBondContact N-O 3.38Å; L19-L32 PolarHBondContact O-N 2.75Å; L19-K34 HydrophobicContact CD1-CD 4.39Å
20K95.3Very high87Confident39 Ų3961 Ų6117%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-80.4132.8163.8-176.8176.6-174164.60108.9L7 G8 I10 Y83L7-K20 HydrophobicContact CB-CB 4.49Å; L7-K20 HydrophobicContact CB-CG 4.23Å; L7-K20 HydrophobicContact CD1-CD 4.45Å; L7-K20 HydrophobicContact CD1-CG 4.22Å; L7-K20 PolarHBondContact N-O 3.45Å; G8-K20 PolarHBondContact N-O 2.89Å; G8-K20 PolarHBondContact O-N 3.41Å; I10-K20 HydrophobicContact CD1-CB 4.25Å; I10-K20 HydrophobicContact CG2-CB 3.61Å; I10-K20 HydrophobicContact CG2-CD 4.45Å; K20-Y83 HydrophobicContact CB-CE2 4.33Å; K20-Y83 HydrophobicContact CD-CD2 4.35Å; K20-Y83 HydrophobicContact CD-CE1 4.36Å; K20-Y83 HydrophobicContact CD-CE2 3.75Å; K20-Y83 HydrophobicContact CG-CD2 4.07Å; K20-Y83 HydrophobicContact CG-CE2 3.9Å; K20-Y83 PolarHBondContact NZ-OH 3.3Å; K20-Y83 VanDerWaalsContact NZ-OH 3.09Å
21A96.6Very high87.4Confident0 Ų057.8 Ų57.80%033%0.334CS..EExtended strand (participates in β ladder)trans-139.6167.6175.800000111.3S5 I6 L29 V30 L32S5-A21 CarbonylContact O-C 3.54Å; S5-A21 VanDerWaalsContact O-CA 3.23Å; S5-A21 WeakPolarHBondContact O-CA 3.49Å; S5-A21 WeakPolarHBondContact O-CB 3.46Å; I6-A21 HydrophobicContact CD1-CB 3.9Å; A21-L29 WeakPolarHBondContact O-CA 3.3Å; A21-V30 HydrophobicContact CB-CG2 3.9Å; A21-V30 PolarHBondContact N-O 3.2Å; A21-V30 PolarHBondContact O-N 3.31Å; A21-L32 HydrophobicContact CB-CD1 3.51Å; A21-L32 HydrophobicContact CB-CG 3.93Å
22K97.1Very high88.2Confident96 Ų9656.5 Ų56.542%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-117.2125.3172-174.6175.5178.5176.90108.6Y4 S5 L7 I24 G27 E28 L29Y4-K22 WeakPolarHBondContact CA-O 3.38Å; S5-K22 PolarHBondContact N-O 2.76Å; S5-K22 PolarHBondContact O-N 3.43Å; L7-K22 HydrophobicContact CD1-CB 4.21Å; L7-K22 HydrophobicContact CG-CB 4.48Å; K22-I24 PolarHBondContact O-N 3.06Å; K22-G27 WeakPolarHBondContact CE-O 3.32Å; K22-E28 CarbonylContact C-O 3.59Å; K22-E28 WeakPolarHBondContact CA-O 3.35Å; K22-L29 HydrophobicContact CB-CD2 4.32Å
23H96.7Very high89Confident31 Ų3150.3 Ų50.314%0.14429%0.291CS..EExtended strand (participates in β ladder)trans-66.6125.5169.9-175.6-117.5000108.7Q3 Y4 E25 S26 G27 E28Q3-H23 PolarHBondContact O-CD2 3.07Å; Y4-H23 HydrophobicContact CD1-CB 4.11Å; Y4-H23 HydrophobicContact CE1-CB 3.83Å; Y4-H23 AromaticContact CE1-CD2 3.66Å; Y4-H23 AromaticContact CZ-CD2 3.8Å; H23-E25 PolarHBondContact O-N 3.31Å; H23-S26 PolarHBondContact ND1-N 3.25Å; H23-S26 PolarHBondContact ND1-OG 3.44Å; H23-G27 WeakPolarHBondContact O-CA 3.39Å; H23-G27 PolarHBondContact O-N 2.95Å; H23-E28 PolarHBondContact N-O 3.17Å
24I95.5Very high90.2Very high106 Ų10651.3 Ų51.354%0.54429%0.286SS..THydrogen-bonded Turntrans-66.2-42.5-166.4-68172.2000111.3E2 Q3 K22E2-I24 WeakPolarHBondContact O-CD1 3.44Å; Q3-I24 WeakPolarHBondContact O-CG1 3.2Å; Q3-I24 PolarHBondContact O-N 2.81Å; K22-I24 PolarHBondContact O-N 3.06Å
25E94.9Very high91.2Very high176 Ų17647 Ų4782%0.82225%0.249SC*.THydrogen-bonded Turntrans-76.6-50.5-174.5-172.8176.1-172.100112.3H23H23-E25 PolarHBondContact O-N 3.31Å
26S95.2Very high92Very high70 Ų7047.5 Ų47.549%0.4926%0.259SS..THydrogen-bonded Turntrans-80.8-17.9-178.765.80000113.4H23 E28H23-S26 PolarHBondContact ND1-N 3.25Å; H23-S26 PolarHBondContact ND1-OG 3.44Å; S26-E28 PolarHBondContact O-N 3.08Å; S26-E28 WeakPolarHBondContact OG-CB 3.32Å; S26-E28 PolarHBondContact OG-N 3.12Å
27G94.7Very high92.2Very high31 Ų3148.3 Ų48.332%0.3226%0.259SS..  trans70.68-173.200000114.4K22 H23K22-G27 WeakPolarHBondContact CE-O 3.32Å; H23-G27 WeakPolarHBondContact O-CA 3.39Å; H23-G27 PolarHBondContact O-N 2.95Å
28E94.9Very high91.6Very high91 Ų9157.9 Ų57.943%0.42529%0.29SS..  trans-79.4145.7-174.6-164.5173.7-174.200112.3K22 H23 S26 R68K22-E28 CarbonylContact C-O 3.59Å; K22-E28 WeakPolarHBondContact CA-O 3.35Å; H23-E28 PolarHBondContact N-O 3.17Å; S26-E28 PolarHBondContact O-N 3.08Å; S26-E28 WeakPolarHBondContact OG-CB 3.32Å; S26-E28 PolarHBondContact OG-N 3.12Å; E28-R68 IonicContact OE1-CZ 2.74Å; E28-R68 IonicContact OE1-NH1 3.63Å; E28-R68 PolarHBondContact OE1-NH1 3.45Å; E28-R68 IonicContact OE1-NH2 3.56Å; E28-R68 PolarHBondContact OE1-NH2 3.07Å; E28-R68 IonicContact OE2-CZ 2.91Å; E28-R68 IonicContact OE2-NH1 3.37Å; E28-R68 PolarHBondContact OE2-NH1 3.29Å; E28-R68 IonicContact OE2-NH2 2.73Å
29L96.2Very high90.6Very high66 Ų6662.7 Ų62.735%0.34631%0.308SS..EExtended strand (participates in β ladder)trans-81.6137.3175.5-66.8177.7000111.1L7 A21 K22 Y83L7-L29 HydrophobicContact CD1-CD2 3.51Å; A21-L29 WeakPolarHBondContact O-CA 3.3Å; K22-L29 HydrophobicContact CB-CD2 4.32Å; L29-Y83 HydrophobicContact CB-CD1 4.03Å; L29-Y83 HydrophobicContact CB-CG 4.14Å; L29-Y83 HydrophobicContact CD1-CD1 4.03Å; L29-Y83 HydrophobicContact CD1-CE1 4.33Å; L29-Y83 WeakPolarHBondContact O-CB 3.34Å
30V96.1Very high89.1Confident0 Ų066.2 Ų66.20%033%0.327CS..EExtended strand (participates in β ladder)trans-134.8158.1178.4-61.30000111.3Y4 A21 L32 V80 F81Y4-V30 HydrophobicContact CD1-CG2 3.61Å; Y4-V30 HydrophobicContact CE1-CB 4.48Å; Y4-V30 HydrophobicContact CE1-CG1 4.25Å; Y4-V30 HydrophobicContact CE1-CG2 3.6Å; A21-V30 HydrophobicContact CB-CG2 3.9Å; A21-V30 PolarHBondContact N-O 3.2Å; A21-V30 PolarHBondContact O-N 3.31Å; V30-L32 HydrophobicContact CG2-CD2 3.9Å; V30-L32 HydrophobicContact CG2-CG 4.25Å; V30-V80 HydrophobicContact CB-CG1 3.88Å; V30-V80 HydrophobicContact CG1-CG1 3.97Å; V30-V80 HydrophobicContact CG2-CG1 4.17Å; V30-F81 WeakPolarHBondContact CA-O 3.14Å; V30-F81 WeakPolarHBondContact CB-O 3.41Å
31A95.4Very high87.6Confident11 Ų1169.1 Ų69.19%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-106127.9167.600000109.8I10 V18 L19 F81I10-A31 HydrophobicContact CD1-CB 4.1Å; V18-A31 HydrophobicContact CG1-CB 4.21Å; L19-A31 CarbonylContact O-C 3.52Å; L19-A31 WeakPolarHBondContact O-CA 3.22Å; A31-F81 HydrophobicContact CB-CB 4.34Å; A31-F81 PolarHBondContact N-O 3.16Å; A31-F81 PolarHBondContact O-N 3.11Å
32L93.8Very high86.2Confident0 Ų074.7 Ų74.70%039%0.387CS..EExtended strand (participates in β ladder)trans-108.6107.8-178.5-56.6-180000109.5M1 Y4 I6 V18 L19 A21 V30 V78 V80M1-L32 HydrophobicContact CE-CD1 3.52Å; M1-L32 HydrophobicContact SD-CD1 3.88Å; Y4-L32 HydrophobicContact CD1-CD2 4.42Å; Y4-L32 HydrophobicContact CG-CD1 4.47Å; I6-L32 HydrophobicContact CD1-CD1 3.58Å; V18-L32 CarbonylContact C-O 3.49Å; V18-L32 WeakPolarHBondContact CA-O 3.06Å; L19-L32 HydrophobicContact CB-CB 4.32Å; L19-L32 PolarHBondContact N-O 3.38Å; L19-L32 PolarHBondContact O-N 2.75Å; A21-L32 HydrophobicContact CB-CD1 3.51Å; A21-L32 HydrophobicContact CB-CG 3.93Å; V30-L32 HydrophobicContact CG2-CD2 3.9Å; V30-L32 HydrophobicContact CG2-CG 4.25Å; L32-V78 HydrophobicContact CB-CG1 3.83Å; L32-V78 HydrophobicContact CD2-CG1 4.05Å; L32-V78 HydrophobicContact CG-CG1 4.43Å; L32-V80 HydrophobicContact CD2-CB 4.16Å; L32-V80 HydrophobicContact CD2-CG1 3.89Å; L32-V80 HydrophobicContact CD2-CG2 3.69Å
33K90.8Very high84.9Confident17 Ų1771.9 Ų71.97%0.07439%0.386CS..EExtended strand (participates in β ladder)trans-91.5107.9174.2-171.3-177.9-168.4-176.40108.3V18 V35 E51 V78 L79 F81 D145V18-K33 HydrophobicContact CG2-CB 4.5Å; V18-K33 HydrophobicContact CG2-CG 4.3Å; K33-V35 HydrophobicContact CG-CG2 4.43Å; K33-E51 IonicContact NZ-OE1 2.61Å; K33-E51 PolarHBondContact NZ-OE1 3.05Å; K33-E51 IonicContact NZ-OE2 3.7Å; K33-E51 PolarHBondContact NZ-OE2 2.85Å; K33-V78 WeakPolarHBondContact O-CA 3.16Å; K33-L79 HydrophobicContact CB-CB 4.35Å; K33-L79 PolarHBondContact N-O 3.31Å; K33-L79 PolarHBondContact O-N 3.15Å; K33-F81 HydrophobicContact CB-CD2 4.38Å; K33-F81 HydrophobicContact CB-CE2 4Å; K33-F81 HydrophobicContact CD-CE2 4.17Å; K33-D145 IonicContact NZ-OD1 2.64Å; K33-D145 PolarHBondContact NZ-OD1 3.47Å; K33-D145 VanDerWaalsContact NZ-OD1 3.11Å
34K88.2Confident83.9Confident56 Ų5673.4 Ų73.424%0.24339%0.394CS..EExtended strand (participates in β ladder)trans-85.8122.6176.5-65.3-163.7177.3-1730109.9V17 L19 H73 V78V17-K34 PolarHBondContact O-N 3.48Å; L19-K34 HydrophobicContact CD1-CD 4.39Å; K34-H73 PolarHBondContact NZ-NE2 3.32Å; K34-H73 VanDerWaalsContact NZ-NE2 3.15Å; K34-V78 HydrophobicContact CG-CG2 4.1Å
35V84.4Confident82.9Confident11 Ų1170.7 Ų70.77%0.06738%0.384CS..EExtended strand (participates in β ladder)trans-113.2113.6178.7-176.40000109.5K33 G76 F77 L79K33-V35 HydrophobicContact CG-CG2 4.43Å; V35-G76 VanDerWaalsContact O-CA 3.3Å; V35-G76 WeakPolarHBondContact O-CA 3.18Å; V35-F77 HydrophobicContact CB-CD1 4.46Å; V35-F77 HydrophobicContact CB-CD2 4.22Å; V35-F77 HydrophobicContact CB-CE1 3.95Å; V35-F77 HydrophobicContact CB-CE2 3.71Å; V35-F77 HydrophobicContact CB-CZ 3.54Å; V35-F77 HydrophobicContact CG1-CE1 3.83Å; V35-F77 HydrophobicContact CG1-CE2 4.1Å; V35-F77 HydrophobicContact CG1-CZ 3.44Å; V35-F77 VanDerWaalsContact CG1-CZ 3.44Å; V35-F77 HydrophobicContact CG2-CE2 3.98Å; V35-F77 HydrophobicContact CG2-CZ 4.18Å; V35-F77 PolarHBondContact N-O 3.09Å; V35-F77 PolarHBondContact O-N 2.87Å; V35-F77 VanDerWaalsContact O-N 3.09Å; V35-L79 HydrophobicContact CB-CD1 4.44Å; V35-L79 HydrophobicContact CG2-CD1 3.52Å
36P82.2Confident82Confident76 Ų7668 Ų6849%0.49438%0.375SS..EExtended strand (participates in β ladder)trans-74.9140.618029.9-32.7000111.5H15H15-P36 WeakPolarHBondContact O-CD 3.46Å
37L79.4Confident80.9Confident34 Ų3466.6 Ų66.618%0.17836%0.364CS..  trans-94.9112.3167.7-62.7168000108.4K39 G43 P45 T75 F77L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.35Å; L37-G43 WeakPolarHBondContact CD2-O 3.41Å; L37-P45 VanDerWaalsContact CD2-CD 3.47Å; L37-P45 HydrophobicContact CD2-CG 4.41Å; L37-T75 WeakPolarHBondContact CA-O 3.28Å; L37-T75 VanDerWaalsContact CB-O 3.24Å; L37-T75 WeakPolarHBondContact CB-O 3.48Å; L37-T75 PolarHBondContact N-O 3.13Å; L37-F77 HydrophobicContact CD1-CD1 4.31Å; L37-F77 HydrophobicContact CD2-CD1 4.1Å; L37-F77 HydrophobicContact CD2-CE1 3.71Å; L37-F77 HydrophobicContact CG-CD1 4.14Å; L37-F77 HydrophobicContact CG-CE1 4.19Å
38R72.9Confident80Confident245 Ų24565.4 Ų65.493%0.92535%0.351SS*.SBendtrans-64.9-36.7-179-71.2-177.3179.3167.20.3112.4
39K68.9Low79.1Confident135 Ų13562.4 Ų62.459%0.58734%0.337SS*.  trans-143.6120.8177-64.3-178.4-174.7171.20108.5L37 A41 D42L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.35Å; K39-A41 PolarHBondContact O-N 3.04Å; K39-A41 VanDerWaalsContact O-N 3.16Å; K39-D42 HydrophobicContact CB-CB 4.37Å; K39-D42 WeakPolarHBondContact CD-OD2 3.3Å; K39-D42 PolarHBondContact O-N 3.02Å
40L60.9Low78.2Confident100 Ų10062.9 Ų62.952%0.52434%0.335SS..G310 helixtrans-56.8-31.2176.8-93.695.3000112.4D42 G43 L308L40-D42 PolarHBondContact O-N 3.47Å; L40-G43 PolarHBondContact O-N 3.26Å; L40-L308 HydrophobicContact CD2-CD1 4.26Å
41A64.8Low77.3Confident100 Ų10063 Ų6383%0.82634%0.335SS*.G310 helixtrans-64.8-26.1179.200000113.5K39 G43K39-A41 PolarHBondContact O-N 3.04Å; K39-A41 VanDerWaalsContact O-N 3.16Å; A41-G43 VanDerWaalsContact C-N 3.26Å; A41-G43 PolarHBondContact O-N 3.09Å
42D67.9Low76.8Confident116 Ų11663.3 Ų63.362%0.6234%0.335SS*.G310 helixtrans-84.5-3.3-178.2-62-12.9000112K39 L40K39-D42 HydrophobicContact CB-CB 4.37Å; K39-D42 WeakPolarHBondContact CD-OD2 3.3Å; K39-D42 PolarHBondContact O-N 3.02Å; L40-D42 PolarHBondContact O-N 3.47Å
43G70.1Confident76.1Confident38 Ų3865.5 Ų65.539%0.39235%0.345SS..  trans67.3-161.4-177.100000113.4L37 L40 A41L37-G43 WeakPolarHBondContact CD2-O 3.41Å; L40-G43 PolarHBondContact O-N 3.26Å; A41-G43 VanDerWaalsContact C-N 3.26Å; A41-G43 PolarHBondContact O-N 3.09Å
44I74.5Confident75.5Confident62 Ų6264.8 Ų64.832%0.31834%0.342SS..SBendtrans-78.1131.9178.4-57.7176.1000109N46 A48 L49 F77I44-N46 PolarHBondContact O-N 3.34Å; I44-A48 HydrophobicContact CG2-CB 4.19Å; I44-L49 HydrophobicContact CB-CD1 4.24Å; I44-L49 HydrophobicContact CB-CD2 3.89Å; I44-L49 HydrophobicContact CB-CG 3.93Å; I44-L49 HydrophobicContact CD1-CD2 4.07Å; I44-L49 HydrophobicContact CG2-CD2 3.69Å; I44-L49 HydrophobicContact CG2-CG 3.68Å; I44-F77 HydrophobicContact CG2-CE1 3.76Å; I44-F77 HydrophobicContact CG2-CZ 3.75Å
45P74.7Confident75.4Confident50 Ų5062.6 Ų62.633%0.32533%0.333SS..  trans-54.3133176.6-26.432.7000112.3L37 T47 A48 L49L37-P45 VanDerWaalsContact CD2-CD 3.47Å; L37-P45 HydrophobicContact CD2-CG 4.41Å; P45-T47 PolarHBondContact O-N 3.06Å; P45-A48 PolarHBondContact O-N 3.16Å; P45-L49 PolarHBondContact O-N 3.26Å
46N75Confident75.4Confident118 Ų11868.2 Ų68.263%0.63136%0.359SS*.Hα-helixtrans-55.7-26.4179-77.3-27000114.1I44 R50I44-N46 PolarHBondContact O-N 3.34Å; N46-R50 WeakPolarHBondContact O-CB 2.83Å; N46-R50 WeakPolarHBondContact O-CG 3.21Å; N46-R50 PolarHBondContact O-N 3.06Å; N46-R50 VanDerWaalsContact O-N 3.07Å; N46-R50 PolarHBondContact O-NE 3.27Å; N46-R50 VanDerWaalsContact O-NE 3.13Å
47T73.1Confident75.3Confident42 Ų4269.9 Ų69.926%0.25836%0.358SS..Hα-helixtrans-68.2-45.7174.248.40000111.5P45 R50 E51P45-T47 PolarHBondContact O-N 3.06Å; T47-R50 PolarHBondContact O-N 2.92Å; T47-E51 PolarHBondContact O-N 3.35Å
48A75.8Confident75.4Confident5 Ų568.7 Ų68.74%0.04135%0.352CS..Hα-helixtrans-68.7-38.4177.600000112.1I44 P45 R50 E51 I52 F77I44-A48 HydrophobicContact CG2-CB 4.19Å; P45-A48 PolarHBondContact O-N 3.16Å; A48-R50 VanDerWaalsContact C-N 3.3Å; A48-R50 PolarHBondContact O-N 3.44Å; A48-E51 PolarHBondContact O-N 2.91Å; A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.44Å; A48-I52 PolarHBondContact O-N 3.45Å; A48-F77 HydrophobicContact CB-CE2 3.91Å; A48-F77 HydrophobicContact CB-CZ 3.44Å; A48-F77 VanDerWaalsContact CB-CZ 3.44Å
49L76.9Confident75.3Confident28 Ų2865.2 Ų65.215%0.14735%0.346CS..Hα-helixtrans-60.5-41.1172.6-71.1176.8000111.9I44 P45 K53 L321I44-L49 HydrophobicContact CB-CD1 4.24Å; I44-L49 HydrophobicContact CB-CD2 3.89Å; I44-L49 HydrophobicContact CB-CG 3.93Å; I44-L49 HydrophobicContact CD1-CD2 4.07Å; I44-L49 HydrophobicContact CG2-CD2 3.69Å; I44-L49 HydrophobicContact CG2-CG 3.68Å; P45-L49 PolarHBondContact O-N 3.26Å; L49-K53 WeakPolarHBondContact O-CB 3.43Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.3Å; L49-K53 PolarHBondContact O-N 3.42Å; L49-L321 HydrophobicContact CD1-CD2 3.91Å; L49-L321 HydrophobicContact CD2-CD1 3.9Å; L49-L321 HydrophobicContact CD2-CD2 3.62Å; L49-L321 HydrophobicContact CD2-CG 4.4Å; L49-L321 HydrophobicContact CG-CD2 4.27Å
50R75.3Confident75.6Confident76 Ų7663.9 Ų63.929%0.28735%0.354SS..Hα-helixtrans-65.1-44174.9-84.2-179-82.4138.8-9.7112.4N46 T47 A48 K53 A54N46-R50 WeakPolarHBondContact O-CB 2.83Å; N46-R50 WeakPolarHBondContact O-CG 3.21Å; N46-R50 PolarHBondContact O-N 3.06Å; N46-R50 VanDerWaalsContact O-N 3.07Å; N46-R50 PolarHBondContact O-NE 3.27Å; N46-R50 VanDerWaalsContact O-NE 3.13Å; T47-R50 PolarHBondContact O-N 2.92Å; A48-R50 VanDerWaalsContact C-N 3.3Å; A48-R50 PolarHBondContact O-N 3.44Å; R50-K53 PolarHBondContact O-N 2.68Å; R50-A54 VanDerWaalsContact O-CB 3.22Å; R50-A54 WeakPolarHBondContact O-CB 3.29Å; R50-A54 PolarHBondContact O-N 2.89Å
51E78.9Confident77Confident3 Ų359.7 Ų59.71%0.01433%0.333CS..Hα-helixtrans-57.7-51.9175.3175.1168.1-161.500110.6K33 T47 A48 K53 A54 L55 L79 F146K33-E51 IonicContact NZ-OE1 2.61Å; K33-E51 PolarHBondContact NZ-OE1 3.05Å; K33-E51 IonicContact NZ-OE2 3.7Å; K33-E51 PolarHBondContact NZ-OE2 2.85Å; T47-E51 PolarHBondContact O-N 3.35Å; A48-E51 PolarHBondContact O-N 2.91Å; E51-K53 PolarHBondContact O-N 2.78Å; E51-A54 PolarHBondContact O-N 3.16Å; E51-L55 HydrophobicContact CG-CD1 3.76Å; E51-L55 WeakPolarHBondContact O-CB 3.33Å; E51-L55 WeakPolarHBondContact O-CD1 3.37Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 2.92Å; E51-L79 HydrophobicContact CG-CD2 4.37Å; E51-F146 HydrophobicContact CB-CB 4.41Å; E51-F146 HydrophobicContact CG-CB 4.1Å
52I83.4Confident78.5Confident17 Ų1758.4 Ų58.49%0.08732%0.316CS..Hα-helixtrans-59.1-49.7178.9-66.8164.5000110.9A48 L55 Q56 L67 V70 F77 L79A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.44Å; A48-I52 PolarHBondContact O-N 3.45Å; I52-L55 PolarHBondContact O-N 3Å; I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.39Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.24Å; I52-Q56 PolarHBondContact O-N 2.77Å; I52-L67 HydrophobicContact CB-CD2 4.33Å; I52-L67 HydrophobicContact CG1-CD2 4.27Å; I52-L67 HydrophobicContact CG2-CD2 4.1Å; I52-V70 HydrophobicContact CD1-CG1 4.08Å; I52-V70 HydrophobicContact CD1-CG2 4.15Å; I52-V70 HydrophobicContact CG1-CG2 4.1Å; I52-V70 HydrophobicContact CG2-CG2 4.24Å; I52-F77 HydrophobicContact CD1-CE2 4.12Å; I52-L79 HydrophobicContact CD1-CD2 4.45Å; I52-L79 HydrophobicContact CG1-CD2 3.79Å; I52-L79 HydrophobicContact CG1-CG 4.38Å
53K79.2Confident79.9Confident46 Ų4655 Ų5520%0.230%0.295CS..Hα-helixtrans-62.4-47.5-179.6-76-179.6176.5-175.90111.7L49 R50 E51 L55 Q56 F57 L325L49-K53 WeakPolarHBondContact O-CB 3.43Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.3Å; L49-K53 PolarHBondContact O-N 3.42Å; R50-K53 PolarHBondContact O-N 2.68Å; E51-K53 PolarHBondContact O-N 2.78Å; K53-L55 VanDerWaalsContact C-N 3.28Å; K53-L55 PolarHBondContact O-N 3.41Å; K53-Q56 PolarHBondContact O-N 3.41Å; K53-Q56 VanDerWaalsContact O-N 3.16Å; K53-F57 HydrophobicContact CB-CD2 4.46Å; K53-F57 WeakPolarHBondContact O-CD2 3.48Å; K53-F57 PolarHBondContact O-N 2.86Å; K53-L325 HydrophobicContact CD-CD1 4.02Å; K53-L325 VanDerWaalsContact CE-CD1 3.44Å
54A79.6Confident81.1Confident2 Ų253.4 Ų53.42%0.01728%0.278CS..Hα-helixtrans-57.4-44.2179.300000111.4R50 E51 F57 I58 I123 F146R50-A54 VanDerWaalsContact O-CB 3.22Å; R50-A54 WeakPolarHBondContact O-CB 3.29Å; R50-A54 PolarHBondContact O-N 2.89Å; E51-A54 PolarHBondContact O-N 3.16Å; A54-F57 PolarHBondContact O-N 3.34Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 3.45Å; A54-I58 VanDerWaalsContact O-N 3.17Å; A54-I123 HydrophobicContact CB-CD1 4.03Å; A54-I123 HydrophobicContact CB-CG1 4.38Å; A54-I123 HydrophobicContact CB-CG2 4.07Å; A54-I123 WeakPolarHBondContact O-CD1 3.35Å; A54-F146 HydrophobicContact CB-CD1 4.09Å
55L85.2Confident82Confident10 Ų1050.8 Ų50.85%0.05227%0.265CS..Hα-helixtrans-71-31.1178.7-69.8162.8000113.2E51 I52 K53 V64 V65 L67 F81 F146E51-L55 HydrophobicContact CG-CD1 3.76Å; E51-L55 WeakPolarHBondContact O-CB 3.33Å; E51-L55 WeakPolarHBondContact O-CD1 3.37Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 2.92Å; I52-L55 PolarHBondContact O-N 3Å; K53-L55 VanDerWaalsContact C-N 3.28Å; K53-L55 PolarHBondContact O-N 3.41Å; L55-V64 HydrophobicContact CD2-CG1 4.06Å; L55-V65 HydrophobicContact CD2-CG1 3.97Å; L55-V65 WeakPolarHBondContact CD2-O 3.35Å; L55-L67 HydrophobicContact CB-CB 3.9Å; L55-L67 HydrophobicContact CB-CD2 4.09Å; L55-L67 HydrophobicContact CD1-CB 4.21Å; L55-L67 HydrophobicContact CD1-CD2 4.27Å; L55-F81 HydrophobicContact CD1-CE1 3.55Å; L55-F81 HydrophobicContact CD1-CZ 3.9Å; L55-F146 HydrophobicContact CD2-CD2 3.74Å; L55-F146 HydrophobicContact CD2-CE2 3.82Å; L55-F146 HydrophobicContact CD2-CG 4.26Å; L55-F146 HydrophobicContact CD2-CZ 4.36Å; L55-F146 HydrophobicContact CG-CD2 4.25Å; L55-F146 HydrophobicContact CG-CG 4.35Å
56Q83.9Confident82.9Confident130 Ų13052.2 Ų52.261%0.60727%0.267SS*.Hα-helixtrans-73.2-33.6173.7-75.9177.2-31.300112.8I52 K53I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.39Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.24Å; I52-Q56 PolarHBondContact O-N 2.77Å; K53-Q56 PolarHBondContact O-N 3.41Å; K53-Q56 VanDerWaalsContact O-N 3.16Å
57F80.4Confident83.6Confident110 Ų11047.4 Ų47.448%0.48224%0.241SC..Hα-helixtrans-72.4-32.2176.8-89.2-69.4000112.9K53 A54 E59 I123 L325K53-F57 HydrophobicContact CB-CD2 4.46Å; K53-F57 WeakPolarHBondContact O-CD2 3.48Å; K53-F57 PolarHBondContact O-N 2.86Å; A54-F57 PolarHBondContact O-N 3.34Å; F57-E59 VanDerWaalsContact C-N 3.33Å; F57-E59 PolarHBondContact O-N 3.47Å; F57-I123 HydrophobicContact CB-CD1 4.1Å; F57-L325 HydrophobicContact CZ-CD2 4.37Å
58I83.1Confident84.5Confident9 Ų949 Ų495%0.04624%0.242CC..SBendtrans-79.387.2175.3-61.3167.7000108.1A54 S60 V64 V117 M118 N121 I123 F146A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 3.45Å; A54-I58 VanDerWaalsContact O-N 3.17Å; I58-S60 PolarHBondContact O-N 3.37Å; I58-V64 HydrophobicContact CD1-CG1 4.14Å; I58-V64 HydrophobicContact CD1-CG2 4.41Å; I58-V64 HydrophobicContact CG2-CB 4.03Å; I58-V64 HydrophobicContact CG2-CG1 4.15Å; I58-V64 HydrophobicContact CG2-CG2 4.13Å; I58-V117 HydrophobicContact CG2-CG1 3.91Å; I58-M118 HydrophobicContact CD1-CG 3.83Å; I58-N121 HydrophobicContact CG1-CB 4.39Å; I58-I123 HydrophobicContact CD1-CD1 3.67Å; I58-I123 HydrophobicContact CD1-CG2 4.45Å; I58-I123 HydrophobicContact CG1-CD1 3.52Å; I58-F146 HydrophobicContact CD1-CE1 3.82Å; I58-F146 HydrophobicContact CD1-CZ 4.24Å
59E69.9Low85.2Confident172 Ų17252 Ų5280%0.80426%0.255SS*.  trans-55.8132.9172.8-70.8-173.6172.900110.6F57 S61F57-E59 VanDerWaalsContact C-N 3.33Å; F57-E59 PolarHBondContact O-N 3.47Å; E59-S61 PolarHBondContact O-N 2.93Å
60S75.3Confident85.8Confident107 Ų10753.3 Ų53.375%0.74826%0.264SS*.SBendtrans4.159.4177.3-58.10000117.6I58I58-S60 PolarHBondContact O-N 3.37Å
61S91Very high86.5Confident12 Ų1250.8 Ų50.88%0.08426%0.256CS..  trans-74.7135.6175.9175.20000109.8E59 Y63E59-S61 PolarHBondContact O-N 2.93Å; S61-Y63 PolarHBondContact O-N 2.88Å; S61-Y63 PolarHBondContact OG-N 2.49Å
62P95.1Very high86.9Confident74 Ų7454 Ų5448%0.48128%0.276SS..THydrogen-bonded Turntrans-68.6-11.6174.727.9-33.4000113.1V140 K142P62-V140 WeakPolarHBondContact O-CG1 3.35Å; P62-K142 VanDerWaalsContact O-CE 3.24Å; P62-K142 WeakPolarHBondContact O-CE 3.3Å; P62-K142 WeakPolarHBondContact O-CG 3.3Å
63Y96.7Very high87Confident43 Ų4355.7 Ų55.717%0.16928%0.284CS..THydrogen-bonded Turntrans-121.311.5-172.8-52.1-58.2000113.8S61 M110 R113 K142 I143S61-Y63 PolarHBondContact O-N 2.88Å; S61-Y63 PolarHBondContact OG-N 2.49Å; Y63-M110 HydrophobicContact CD1-CB 3.89Å; Y63-M110 HydrophobicContact CD1-CG 3.98Å; Y63-M110 HydrophobicContact CE1-CB 4.05Å; Y63-M110 HydrophobicContact CE1-CG 3.64Å; Y63-M110 HydrophobicContact CE1-SD 4.25Å; Y63-R113 HydrophobicContact CD2-CB 3.45Å; Y63-R113 VanDerWaalsContact CD2-CB 3.45Å; Y63-R113 HydrophobicContact CE2-CB 3.52Å; Y63-R113 VanDerWaalsContact CE2-CD 3.48Å; Y63-R113 HydrophobicContact CE2-CG 4.15Å; Y63-R113 HydrophobicContact CG-CB 4.29Å; Y63-R113 PolarHBondContact OH-NH1 2.89Å; Y63-R113 VanDerWaalsContact OH-NH1 3.09Å; Y63-K142 WeakPolarHBondContact O-CA 3.37Å; Y63-I143 PolarHBondContact O-N 3.23Å
64V95.5Very high87.3Confident6 Ų654.7 Ų54.74%0.03629%0.287CS..BIsolated β-bridgetrans-128.3137.8172174.50000108.4L55 I58 H66 M118 F146L55-V64 HydrophobicContact CD2-CG1 4.06Å; I58-V64 HydrophobicContact CD1-CG1 4.14Å; I58-V64 HydrophobicContact CD1-CG2 4.41Å; I58-V64 HydrophobicContact CG2-CB 4.03Å; I58-V64 HydrophobicContact CG2-CG1 4.15Å; I58-V64 HydrophobicContact CG2-CG2 4.13Å; V64-H66 PolarHBondContact O-N 3.31Å; V64-M118 HydrophobicContact CG2-CG 4.03Å; V64-M118 HydrophobicContact CG2-SD 4.48Å; V64-F146 HydrophobicContact CG1-CE1 4.42Å; V64-F146 HydrophobicContact CG1-CE2 3.8Å; V64-F146 HydrophobicContact CG1-CZ 3.46Å; V64-F146 VanDerWaalsContact CG1-CZ 3.46Å; V64-F146 HydrophobicContact CG2-CZ 4.38Å
65V93.9Very high87.4Confident7 Ų759.4 Ų59.44%0.04232%0.315CS..  trans-61134.7-177.873.40000110.8L55 F81 E82 I143 A144L55-V65 HydrophobicContact CD2-CG1 3.97Å; L55-V65 WeakPolarHBondContact CD2-O 3.35Å; V65-F81 HydrophobicContact CG1-CD1 3.93Å; V65-F81 HydrophobicContact CG1-CE1 3.99Å; V65-F81 HydrophobicContact CG2-CB 4.34Å; V65-F81 HydrophobicContact CG2-CD1 3.99Å; V65-E82 HydrophobicContact CG2-CG 3.86Å; V65-I143 PolarHBondContact N-O 2.9Å; V65-A144 HydrophobicContact CB-CB 4.14Å; V65-A144 HydrophobicContact CG1-CB 3.87Å
66H92.8Very high87.4Confident80 Ų8059.3 Ų59.337%0.3732%0.317SS..  trans-86.6119.7-177.9-174.857.7000111.5V64 F81 E82V64-H66 PolarHBondContact O-N 3.31Å; H66-F81 WeakPolarHBondContact O-CA 3.42Å; H66-E82 HydrophobicContact CB-CG 4.32Å; H66-E82 VanDerWaalsContact CB-OE1 3.22Å; H66-E82 WeakPolarHBondContact CB-OE1 3.22Å; H66-E82 PolarHBondContact N-OE1 2.72Å; H66-E82 PolarHBondContact O-N 2.83Å; H66-E82 VanDerWaalsContact O-N 3.16Å
67L91.7Very high87.6Confident16 Ų1653.7 Ų53.78%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-84109.8167.217963.5000109.2I52 L55 V70 L79 F81I52-L67 HydrophobicContact CB-CD2 4.33Å; I52-L67 HydrophobicContact CG1-CD2 4.27Å; I52-L67 HydrophobicContact CG2-CD2 4.1Å; L55-L67 HydrophobicContact CB-CB 3.9Å; L55-L67 HydrophobicContact CB-CD2 4.09Å; L55-L67 HydrophobicContact CD1-CB 4.21Å; L55-L67 HydrophobicContact CD1-CD2 4.27Å; L67-V70 HydrophobicContact CD1-CG2 4.04Å; L67-V70 HydrophobicContact CD2-CG2 3.9Å; L67-V70 HydrophobicContact CG-CG2 4.25Å; L67-L79 HydrophobicContact CD1-CB 3.74Å; L67-L79 HydrophobicContact CD1-CD2 4.23Å; L67-L79 HydrophobicContact CD1-CG 4.32Å; L67-F81 HydrophobicContact CB-CD1 4.31Å; L67-F81 HydrophobicContact CB-CE1 4.08Å; L67-F81 HydrophobicContact CD1-CD1 4.27Å; L67-F81 HydrophobicContact CD1-CE1 3.97Å; L67-F81 HydrophobicContact CD1-CE2 4.28Å; L67-F81 HydrophobicContact CD1-CZ 3.97Å
68R91.1Very high88Confident77 Ų7748.5 Ų48.529%0.29127%0.268SS..EExtended strand (participates in β ladder)trans-78.9-50.3-175.3-63.5174.8178.1-135.8-9.1112.2E28 V80E28-R68 IonicContact OE1-CZ 2.74Å; E28-R68 IonicContact OE1-NH1 3.63Å; E28-R68 PolarHBondContact OE1-NH1 3.45Å; E28-R68 IonicContact OE1-NH2 3.56Å; E28-R68 PolarHBondContact OE1-NH2 3.07Å; E28-R68 IonicContact OE2-CZ 2.91Å; E28-R68 IonicContact OE2-NH1 3.37Å; E28-R68 PolarHBondContact OE2-NH1 3.29Å; E28-R68 IonicContact OE2-NH2 2.73Å; R68-V80 HydrophobicContact CB-CB 4.41Å; R68-V80 HydrophobicContact CB-CG1 4.32Å; R68-V80 WeakPolarHBondContact CB-O 3.39Å; R68-V80 PolarHBondContact N-O 2.93Å
69E89.9Confident88.4Confident66 Ų6648 Ų4831%0.30827%0.265SS..EExtended strand (participates in β ladder)trans-156.9164.1-179.965170.2130.700111Y4 F71 V80Y4-E69 PolarHBondContact OH-OE1 3.04Å; E69-F71 HydrophobicContact CG-CD1 4.31Å; E69-V80 HydrophobicContact CG-CB 3.71Å; E69-V80 HydrophobicContact CG-CG1 4.43Å; E69-V80 HydrophobicContact CG-CG2 3.47Å; E69-V80 VanDerWaalsContact CG-CG2 3.47Å; E69-V80 PolarHBondContact O-N 3.02Å
70V90.2Very high89.5Confident56 Ų5639.9 Ų39.934%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-130.8129.7173-1770000107.6I52 L67 F77 V78 L79I52-V70 HydrophobicContact CD1-CG1 4.08Å; I52-V70 HydrophobicContact CD1-CG2 4.15Å; I52-V70 HydrophobicContact CG1-CG2 4.1Å; I52-V70 HydrophobicContact CG2-CG2 4.24Å; L67-V70 HydrophobicContact CD1-CG2 4.04Å; L67-V70 HydrophobicContact CD2-CG2 3.9Å; L67-V70 HydrophobicContact CG-CG2 4.25Å; V70-F77 HydrophobicContact CG1-CD2 4.07Å; V70-V78 WeakPolarHBondContact CA-O 3.45Å; V70-L79 HydrophobicContact CG2-CG 4.35Å
71F89.5Confident90.4Very high24 Ų2435.6 Ų35.611%0.10520%0.195CC..EExtended strand (participates in β ladder)trans-138.1148.5177.862.5-101.9000112.6M1 Y4 E69 H73 F77 V78 V80M1-F71 HydrophobicContact CB-CE2 4.05Å; M1-F71 HydrophobicContact CB-CZ 4.43Å; M1-F71 VanDerWaalsContact N-CE2 3.33Å; M1-F71 HydrophobicContact SD-CE2 4.26Å; M1-F71 HydrophobicContact SD-CZ 3.97Å; Y4-F71 HydrophobicContact CD2-CE1 4.13Å; Y4-F71 HydrophobicContact CD2-CZ 4.23Å; Y4-F71 AromaticContact CE2-CE1 3.69Å; Y4-F71 HydrophobicContact CE2-CE1 3.69Å; Y4-F71 HydrophobicContact CE2-CZ 4.25Å; E69-F71 HydrophobicContact CG-CD1 4.31Å; F71-H73 HydrophobicContact CD2-CB 4.26Å; F71-H73 HydrophobicContact CE2-CB 4.06Å; F71-F77 CarbonylContact O-C 3.56Å; F71-F77 WeakPolarHBondContact O-CA 3.38Å; F71-V78 HydrophobicContact CD2-CB 4.11Å; F71-V78 HydrophobicContact CD2-CG2 4.21Å; F71-V78 HydrophobicContact CE1-CB 4.16Å; F71-V78 HydrophobicContact CE1-CG1 4.26Å; F71-V78 HydrophobicContact CE2-CB 3.62Å; F71-V78 HydrophobicContact CE2-CG1 4.29Å; F71-V78 HydrophobicContact CE2-CG2 3.55Å; F71-V78 HydrophobicContact CZ-CB 3.65Å; F71-V78 HydrophobicContact CZ-CG1 3.82Å; F71-V78 HydrophobicContact CZ-CG2 3.95Å; F71-V78 PolarHBondContact N-O 3.16Å; F71-V78 PolarHBondContact O-N 2.82Å; F71-V80 HydrophobicContact CD1-CG2 3.92Å; F71-V80 HydrophobicContact CE1-CG2 3.41Å; F71-V80 VanDerWaalsContact CE1-CG2 3.41Å; F71-V80 HydrophobicContact CZ-CG2 4.4Å
72P86.6Confident90.5Very high69 Ų6936.5 Ų36.545%0.44820%0.198SC..EExtended strand (participates in β ladder)trans-68.7141.8174.429.3-34.9000111.3L314P72-L314 HydrophobicContact CG-CD1 4.13Å
73H86.8Confident90.5Very high54 Ų5434.7 Ų34.725%0.2518%0.182CC..EExtended strand (participates in β ladder)trans-157.1125.4176.2-179.363.3000111.8K34 F71 G76 V78K34-H73 PolarHBondContact NZ-NE2 3.32Å; K34-H73 VanDerWaalsContact NZ-NE2 3.15Å; F71-H73 HydrophobicContact CD2-CB 4.26Å; F71-H73 HydrophobicContact CE2-CB 4.06Å; H73-G76 PolarHBondContact N-O 2.95Å; H73-G76 CarbonylContact O-C 3.51Å; H73-G76 PolarHBondContact O-N 3.28Å; H73-G76 VanDerWaalsContact O-N 3.16Å; H73-V78 HydrophobicContact CB-CG2 3.58Å
74G84.2Confident90.4Very high25 Ų2533.3 Ų33.326%0.25818%0.177SC..THydrogen-bonded Turntrans56.5-139.8-176.900000111.1G76 L304G74-G76 PolarHBondContact O-N 3.04Å; G74-L304 WeakPolarHBondContact O-CD1 3.15Å
75T82.5Confident90.4Very high100 Ų10033.9 Ų33.961%0.61318%0.181SC*.THydrogen-bonded Turntrans-80.227.9176.9550000113.3L37L37-T75 WeakPolarHBondContact CA-O 3.28Å; L37-T75 VanDerWaalsContact CB-O 3.24Å; L37-T75 WeakPolarHBondContact CB-O 3.48Å; L37-T75 PolarHBondContact N-O 3.13Å
76G86.3Confident90.4Very high8 Ų834 Ų348%0.08218%0.182CC..EExtended strand (participates in β ladder)trans-163.3-154.6-174.200000114V35 H73 G74V35-G76 VanDerWaalsContact O-CA 3.3Å; V35-G76 WeakPolarHBondContact O-CA 3.18Å; H73-G76 PolarHBondContact N-O 2.95Å; H73-G76 CarbonylContact O-C 3.51Å; H73-G76 PolarHBondContact O-N 3.28Å; H73-G76 VanDerWaalsContact O-N 3.16Å; G74-G76 PolarHBondContact O-N 3.04Å
77F86.8Confident90.5Very high12 Ų1232.2 Ų32.25%0.05317%0.174CC..EExtended strand (participates in β ladder)trans-136.4162.1174.755.4-80.6000110.5V35 L37 I44 A48 I52 V70 F71 L79V35-F77 HydrophobicContact CB-CD1 4.46Å; V35-F77 HydrophobicContact CB-CD2 4.22Å; V35-F77 HydrophobicContact CB-CE1 3.95Å; V35-F77 HydrophobicContact CB-CE2 3.71Å; V35-F77 HydrophobicContact CB-CZ 3.54Å; V35-F77 HydrophobicContact CG1-CE1 3.83Å; V35-F77 HydrophobicContact CG1-CE2 4.1Å; V35-F77 HydrophobicContact CG1-CZ 3.44Å; V35-F77 VanDerWaalsContact CG1-CZ 3.44Å; V35-F77 HydrophobicContact CG2-CE2 3.98Å; V35-F77 HydrophobicContact CG2-CZ 4.18Å; V35-F77 PolarHBondContact N-O 3.09Å; V35-F77 PolarHBondContact O-N 2.87Å; V35-F77 VanDerWaalsContact O-N 3.09Å; L37-F77 HydrophobicContact CD1-CD1 4.31Å; L37-F77 HydrophobicContact CD2-CD1 4.1Å; L37-F77 HydrophobicContact CD2-CE1 3.71Å; L37-F77 HydrophobicContact CG-CD1 4.14Å; L37-F77 HydrophobicContact CG-CE1 4.19Å; I44-F77 HydrophobicContact CG2-CE1 3.76Å; I44-F77 HydrophobicContact CG2-CZ 3.75Å; A48-F77 HydrophobicContact CB-CE2 3.91Å; A48-F77 HydrophobicContact CB-CZ 3.44Å; A48-F77 VanDerWaalsContact CB-CZ 3.44Å; I52-F77 HydrophobicContact CD1-CE2 4.12Å; V70-F77 HydrophobicContact CG1-CD2 4.07Å; F71-F77 CarbonylContact O-C 3.56Å; F71-F77 WeakPolarHBondContact O-CA 3.38Å; F77-L79 HydrophobicContact CD2-CD1 3.69Å; F77-L79 HydrophobicContact CD2-CG 4.5Å; F77-L79 HydrophobicContact CE2-CD1 3.56Å; F77-L79 HydrophobicContact CE2-CG 4.48Å
78V89.9Confident90.7Very high1 Ų131.4 Ų31.41%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-119.2129.6178.6-1730000108.1L32 K33 K34 V70 F71 H73L32-V78 HydrophobicContact CB-CG1 3.83Å; L32-V78 HydrophobicContact CD2-CG1 4.05Å; L32-V78 HydrophobicContact CG-CG1 4.43Å; K33-V78 WeakPolarHBondContact O-CA 3.16Å; K34-V78 HydrophobicContact CG-CG2 4.1Å; V70-V78 WeakPolarHBondContact CA-O 3.45Å; F71-V78 HydrophobicContact CD2-CB 4.11Å; F71-V78 HydrophobicContact CD2-CG2 4.21Å; F71-V78 HydrophobicContact CE1-CB 4.16Å; F71-V78 HydrophobicContact CE1-CG1 4.26Å; F71-V78 HydrophobicContact CE2-CB 3.62Å; F71-V78 HydrophobicContact CE2-CG1 4.29Å; F71-V78 HydrophobicContact CE2-CG2 3.55Å; F71-V78 HydrophobicContact CZ-CB 3.65Å; F71-V78 HydrophobicContact CZ-CG1 3.82Å; F71-V78 HydrophobicContact CZ-CG2 3.95Å; F71-V78 PolarHBondContact N-O 3.16Å; F71-V78 PolarHBondContact O-N 2.82Å; H73-V78 HydrophobicContact CB-CG2 3.58Å
79L90.6Very high90.9Very high0 Ų028.8 Ų28.80%016%0.163CC..EExtended strand (participates in β ladder)trans-95.5128.1166-60.781.9000107.8K33 V35 E51 I52 L67 V70 F77 F81K33-L79 HydrophobicContact CB-CB 4.35Å; K33-L79 PolarHBondContact N-O 3.31Å; K33-L79 PolarHBondContact O-N 3.15Å; V35-L79 HydrophobicContact CB-CD1 4.44Å; V35-L79 HydrophobicContact CG2-CD1 3.52Å; E51-L79 HydrophobicContact CG-CD2 4.37Å; I52-L79 HydrophobicContact CD1-CD2 4.45Å; I52-L79 HydrophobicContact CG1-CD2 3.79Å; I52-L79 HydrophobicContact CG1-CG 4.38Å; L67-L79 HydrophobicContact CD1-CB 3.74Å; L67-L79 HydrophobicContact CD1-CD2 4.23Å; L67-L79 HydrophobicContact CD1-CG 4.32Å; V70-L79 HydrophobicContact CG2-CG 4.35Å; F77-L79 HydrophobicContact CD2-CD1 3.69Å; F77-L79 HydrophobicContact CD2-CG 4.5Å; F77-L79 HydrophobicContact CE2-CD1 3.56Å; F77-L79 HydrophobicContact CE2-CG 4.48Å; L79-F81 HydrophobicContact CB-CD2 4.11Å; L79-F81 HydrophobicContact CB-CE2 3.42Å; L79-F81 VanDerWaalsContact CB-CE2 3.42Å; L79-F81 HydrophobicContact CB-CZ 4.02Å; L79-F81 HydrophobicContact CD2-CE2 4.03Å; L79-F81 HydrophobicContact CD2-CZ 3.86Å; L79-F81 HydrophobicContact CG-CE2 4.36Å
80V93.2Very high91.1Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans-102114.7178.2-172.70000109Y4 V30 L32 R68 E69 F71Y4-V80 HydrophobicContact CE1-CG1 4.12Å; Y4-V80 HydrophobicContact CE2-CG2 4.34Å; V30-V80 HydrophobicContact CB-CG1 3.88Å; V30-V80 HydrophobicContact CG1-CG1 3.97Å; V30-V80 HydrophobicContact CG2-CG1 4.17Å; L32-V80 HydrophobicContact CD2-CB 4.16Å; L32-V80 HydrophobicContact CD2-CG1 3.89Å; L32-V80 HydrophobicContact CD2-CG2 3.69Å; R68-V80 HydrophobicContact CB-CB 4.41Å; R68-V80 HydrophobicContact CB-CG1 4.32Å; R68-V80 WeakPolarHBondContact CB-O 3.39Å; R68-V80 PolarHBondContact N-O 2.93Å; E69-V80 HydrophobicContact CG-CB 3.71Å; E69-V80 HydrophobicContact CG-CG1 4.43Å; E69-V80 HydrophobicContact CG-CG2 3.47Å; E69-V80 VanDerWaalsContact CG-CG2 3.47Å; E69-V80 PolarHBondContact O-N 3.02Å; F71-V80 HydrophobicContact CD1-CG2 3.92Å; F71-V80 HydrophobicContact CE1-CG2 3.41Å; F71-V80 VanDerWaalsContact CE1-CG2 3.41Å; F71-V80 HydrophobicContact CZ-CG2 4.4Å
81F93.8Very high91.4Very high18 Ų1824.6 Ų24.68%0.07914%0.14CC..EExtended strand (participates in β ladder)trans-106.6159.1176.3-64.7-88.1000111V30 A31 K33 L55 V65 H66 L67 L79V30-F81 WeakPolarHBondContact CA-O 3.14Å; V30-F81 WeakPolarHBondContact CB-O 3.41Å; A31-F81 HydrophobicContact CB-CB 4.34Å; A31-F81 PolarHBondContact N-O 3.16Å; A31-F81 PolarHBondContact O-N 3.11Å; K33-F81 HydrophobicContact CB-CD2 4.38Å; K33-F81 HydrophobicContact CB-CE2 4Å; K33-F81 HydrophobicContact CD-CE2 4.17Å; L55-F81 HydrophobicContact CD1-CE1 3.55Å; L55-F81 HydrophobicContact CD1-CZ 3.9Å; V65-F81 HydrophobicContact CG1-CD1 3.93Å; V65-F81 HydrophobicContact CG1-CE1 3.99Å; V65-F81 HydrophobicContact CG2-CB 4.34Å; V65-F81 HydrophobicContact CG2-CD1 3.99Å; H66-F81 WeakPolarHBondContact O-CA 3.42Å; L67-F81 HydrophobicContact CB-CD1 4.31Å; L67-F81 HydrophobicContact CB-CE1 4.08Å; L67-F81 HydrophobicContact CD1-CD1 4.27Å; L67-F81 HydrophobicContact CD1-CE1 3.97Å; L67-F81 HydrophobicContact CD1-CE2 4.28Å; L67-F81 HydrophobicContact CD1-CZ 3.97Å; L79-F81 HydrophobicContact CB-CD2 4.11Å; L79-F81 HydrophobicContact CB-CE2 3.42Å; L79-F81 VanDerWaalsContact CB-CE2 3.42Å; L79-F81 HydrophobicContact CB-CZ 4.02Å; L79-F81 HydrophobicContact CD2-CE2 4.03Å; L79-F81 HydrophobicContact CD2-CZ 3.86Å; L79-F81 HydrophobicContact CG-CE2 4.36Å
82E94Very high91.6Very high30 Ų3023.8 Ų23.814%0.1414%0.137CC..EExtended strand (participates in β ladder)trans-54.1144.1157.365.8-176.2127.500111V65 H66 M84 K142V65-E82 HydrophobicContact CG2-CG 3.86Å; H66-E82 HydrophobicContact CB-CG 4.32Å; H66-E82 VanDerWaalsContact CB-OE1 3.22Å; H66-E82 WeakPolarHBondContact CB-OE1 3.22Å; H66-E82 PolarHBondContact N-OE1 2.72Å; H66-E82 PolarHBondContact O-N 2.83Å; H66-E82 VanDerWaalsContact O-N 3.16Å; E82-M84 HydrophobicContact CG-SD 4.09Å; E82-K142 WeakPolarHBondContact OE1-CD 3.36Å; E82-K142 IonicContact OE1-NZ 3.65Å; E82-K142 PolarHBondContact OE1-NZ 3.42Å; E82-K142 IonicContact OE2-NZ 2.69Å; E82-K142 PolarHBondContact OE2-NZ 3.47Å
83Y95.1Very high92Very high37 Ų3728.6 Ų28.615%0.14515%0.147CC..  trans-81.7125.3177.2176-108.4000110.7I10 K20 L29 V85I10-Y83 HydrophobicContact CD1-CD2 4.11Å; I10-Y83 HydrophobicContact CD1-CE2 3.85Å; K20-Y83 HydrophobicContact CB-CE2 4.33Å; K20-Y83 HydrophobicContact CD-CD2 4.35Å; K20-Y83 HydrophobicContact CD-CE1 4.36Å; K20-Y83 HydrophobicContact CD-CE2 3.75Å; K20-Y83 HydrophobicContact CG-CD2 4.07Å; K20-Y83 HydrophobicContact CG-CE2 3.9Å; K20-Y83 PolarHBondContact NZ-OH 3.3Å; K20-Y83 VanDerWaalsContact NZ-OH 3.09Å; L29-Y83 HydrophobicContact CB-CD1 4.03Å; L29-Y83 HydrophobicContact CB-CG 4.14Å; L29-Y83 HydrophobicContact CD1-CD1 4.03Å; L29-Y83 HydrophobicContact CD1-CE1 4.33Å; L29-Y83 WeakPolarHBondContact O-CB 3.34Å; Y83-V85 HydrophobicContact CE1-CG2 4.2Å
84M94.9Very high92.2Very high14 Ų1431 Ų317%0.06916%0.161CC..  trans-106.2142.8172.3-53.7-62.8-76.400109.1E82 L134 S136 K142E82-M84 HydrophobicContact CG-SD 4.09Å; M84-L134 HydrophobicContact CB-CB 3.56Å; M84-L134 HydrophobicContact CB-CD1 4.02Å; M84-L134 HydrophobicContact CB-CG 4.37Å; M84-L134 HydrophobicContact CE-CB 4.04Å; M84-L134 WeakPolarHBondContact CE-O 3.3Å; M84-L134 HydrophobicContact CG-CB 3.62Å; M84-L134 HydrophobicContact CG-CD1 3.84Å; M84-L134 HydrophobicContact CG-CG 4.4Å; M84-S136 VanDerWaalsContact CE-N 3.31Å; M84-K142 HydrophobicContact CE-CB 3.89Å; M84-K142 HydrophobicContact CE-CD 3.96Å; M84-K142 HydrophobicContact CE-CG 3.79Å; M84-K142 HydrophobicContact SD-CD 4.26Å
85V93.6Very high92.6Very high18 Ų1831 Ų3111%0.10916%0.157CC..SBendtrans-79.4-37.1-168.2178.30000112Y83 I135 A137 V282 P284Y83-V85 HydrophobicContact CE1-CG2 4.2Å; V85-I135 PolarHBondContact N-O 3.2Å; V85-A137 HydrophobicContact CG2-CB 3.8Å; V85-V282 WeakPolarHBondContact CG1-O 3.44Å; V85-P284 HydrophobicContact CG1-CB 3.92Å; V85-P284 HydrophobicContact CG1-CG 4.12Å
86T94.4Very high93Very high10 Ų1035.2 Ų35.26%0.06117%0.17CC..EExtended strand (participates in β ladder)trans-152.9-173-178.1-169.10000110.3E90 V91 L134 I135 V282T86-E90 WeakPolarHBondContact OG1-CB 3.17Å; T86-E90 VanDerWaalsContact OG1-CD 3.26Å; T86-E90 PolarHBondContact OG1-OE2 2.71Å; T86-V91 HydrophobicContact CG2-CG2 3.88Å; T86-L134 CarbonylContact O-C 3.59Å; T86-L134 WeakPolarHBondContact O-CA 3.24Å; T86-I135 HydrophobicContact CG2-CB 3.91Å; T86-I135 HydrophobicContact CG2-CD1 4.39Å; T86-I135 PolarHBondContact N-O 2.94Å; T86-I135 PolarHBondContact O-N 2.92Å; T86-V282 HydrophobicContact CG2-CB 3.79Å; T86-V282 HydrophobicContact CG2-CG1 3.69Å; T86-V282 HydrophobicContact CG2-CG2 3.85Å
87D94.9Very high93.3Very high41 Ų4139.8 Ų39.822%0.21920%0.198CC..EExtended strand (participates in β ladder)trans-125.7164.8170.36569.1000111.6S89 E90 V91 L133 L134D87-S89 PolarHBondContact O-N 2.78Å; D87-S89 WeakPolarHBondContact OD1-CA 3.38Å; D87-S89 WeakPolarHBondContact OD1-CB 3.12Å; D87-S89 PolarHBondContact OD1-N 2.88Å; D87-E90 PolarHBondContact O-N 3.38Å; D87-E90 PolarHBondContact OD1-N 3.03Å; D87-V91 PolarHBondContact O-N 3.05Å; D87-V91 VanDerWaalsContact O-N 3.15Å; D87-L133 CarbonylContact C-O 3.57Å; D87-L133 WeakPolarHBondContact CA-O 3.45Å; D87-L134 HydrophobicContact CB-CD2 3.85Å
88L96.5Very high93.7Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-65.9-27.9-177-16967.5000112.4E90 V91 I92 Y107 I111 P130 L133 I135 L141 I172 L176L88-E90 VanDerWaalsContact C-N 3.34Å; L88-V91 HydrophobicContact CD1-CB 4.48Å; L88-V91 PolarHBondContact O-N 3.34Å; L88-I92 HydrophobicContact CD2-CD1 4.34Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 HydrophobicContact CG-CG1 4.3Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.17Å; L88-Y107 HydrophobicContact CD1-CD1 3.92Å; L88-Y107 HydrophobicContact CD1-CD2 3.97Å; L88-Y107 HydrophobicContact CD1-CE1 4.07Å; L88-Y107 HydrophobicContact CD1-CE2 4.1Å; L88-Y107 HydrophobicContact CD1-CG 3.88Å; L88-I111 HydrophobicContact CD2-CD1 4.15Å; L88-P130 HydrophobicContact CB-CB 4.19Å; L88-P130 WeakPolarHBondContact CB-O 3.48Å; L88-P130 HydrophobicContact CG-CB 4.47Å; L88-P130 PolarHBondContact N-O 3.31Å; L88-L133 HydrophobicContact CB-CB 3.92Å; L88-L133 HydrophobicContact CD2-CB 4.41Å; L88-L133 HydrophobicContact CD2-CD1 3.63Å; L88-L133 PolarHBondContact N-O 3.34Å; L88-I135 HydrophobicContact CB-CD1 4.39Å; L88-I135 HydrophobicContact CD1-CD1 3.98Å; L88-L141 HydrophobicContact CD1-CD1 4.19Å; L88-L141 HydrophobicContact CD2-CD1 4.14Å; L88-I172 HydrophobicContact CD2-CG2 4.02Å; L88-L176 HydrophobicContact CD1-CD2 4.03Å; L88-L176 HydrophobicContact CD2-CD2 4.14Å; L88-L176 HydrophobicContact CD2-CG 4.47Å; L88-L176 HydrophobicContact CG-CD2 4.3Å
89S95.2Very high94Very high21 Ų2143.7 Ų43.715%0.14722%0.223CC..Hα-helixtrans-64.9-42177-163.10000111D87 R93 P130D87-S89 PolarHBondContact O-N 2.78Å; D87-S89 WeakPolarHBondContact OD1-CA 3.38Å; D87-S89 WeakPolarHBondContact OD1-CB 3.12Å; D87-S89 PolarHBondContact OD1-N 2.88Å; S89-R93 WeakPolarHBondContact O-CB 3.14Å; S89-R93 PolarHBondContact O-N 2.89Å; S89-R93 VanDerWaalsContact O-N 3.14Å; S89-R93 PolarHBondContact OG-NH2 3.41Å; S89-P130 PolarHBondContact N-O 3.37Å
90E94Very high94.3Very high30 Ų3046.6 Ų46.614%0.1424%0.241CC..Hα-helixtrans-65.7-42.8174.7-172-179.4175.500111.9T86 D87 L88 R93 N94 H285T86-E90 WeakPolarHBondContact OG1-CB 3.17Å; T86-E90 VanDerWaalsContact OG1-CD 3.26Å; T86-E90 PolarHBondContact OG1-OE2 2.71Å; D87-E90 PolarHBondContact O-N 3.38Å; D87-E90 PolarHBondContact OD1-N 3.03Å; L88-E90 VanDerWaalsContact C-N 3.34Å; E90-R93 PolarHBondContact O-N 3.35Å; E90-N94 WeakPolarHBondContact CG-ND2 3.36Å; E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 PolarHBondContact O-N 3.06Å; E90-N94 PolarHBondContact OE1-ND2 3.47Å; E90-H285 IonicContact OE1-CD2 3.72Å; E90-H285 IonicContact OE1-CE1 3.95Å; E90-H285 PolarHBondContact OE1-CE1 2.99Å; E90-H285 IonicContact OE1-ND1 3.87Å; E90-H285 IonicContact OE1-NE2 2.88Å; E90-H285 PolarHBondContact OE1-NE2 3.06Å; E90-H285 IonicContact OE2-CD2 2.81Å; E90-H285 IonicContact OE2-CE1 3.71Å; E90-H285 IonicContact OE2-NE2 3.75Å; E90-H285 PolarHBondContact OE2-NE2 2.91Å
91V95.6Very high94.5Very high4 Ų448.3 Ų48.32%0.02425%0.249CC..Hα-helixtrans-58.8-49.7176.71720000111.6T86 D87 L88 R93 N94 S95 L99 Y107 I135 P280 V282T86-V91 HydrophobicContact CG2-CG2 3.88Å; D87-V91 PolarHBondContact O-N 3.05Å; D87-V91 VanDerWaalsContact O-N 3.15Å; L88-V91 HydrophobicContact CD1-CB 4.48Å; L88-V91 PolarHBondContact O-N 3.34Å; V91-R93 VanDerWaalsContact C-N 3.32Å; V91-R93 PolarHBondContact O-N 2.85Å; V91-N94 PolarHBondContact O-N 2.91Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.13Å; V91-S95 VanDerWaalsContact O-N 3.11Å; V91-S95 PolarHBondContact O-OG 3.18Å; V91-L99 HydrophobicContact CG1-CD1 4.22Å; V91-L99 HydrophobicContact CG1-CD2 4.03Å; V91-Y107 HydrophobicContact CG1-CE2 4.27Å; V91-I135 HydrophobicContact CB-CD1 4.29Å; V91-I135 HydrophobicContact CG2-CD1 3.55Å; V91-P280 HydrophobicContact CG1-CG 4.43Å; V91-V282 HydrophobicContact CG2-CG2 3.75Å
92I95.4Very high94.7Very high7 Ų750.5 Ų50.54%0.03626%0.26CS..Hα-helixtrans-59.5-45.4179.5-68.3168.1000110.4L88 N94 L99 P130 E175 L176L88-I92 HydrophobicContact CD2-CD1 4.34Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 HydrophobicContact CG-CG1 4.3Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.17Å; I92-N94 PolarHBondContact O-N 2.84Å; I92-L99 HydrophobicContact CG1-CD1 4.17Å; I92-P130 HydrophobicContact CD1-CB 4.35Å; I92-P130 HydrophobicContact CD1-CG 4.41Å; I92-E175 HydrophobicContact CD1-CG 4.08Å; I92-E175 HydrophobicContact CG2-CG 4.25Å; I92-L176 HydrophobicContact CD1-CD2 3.83Å; I92-L176 HydrophobicContact CD1-CG 4.17Å; I92-L176 HydrophobicContact CG1-CD2 3.91Å
93R94Very high94.9Very high171 Ų17150.5 Ų50.565%0.64526%0.26SS*.Hα-helixtrans-68-35-176-164.5-168.1-36.2-72.5-9.9114S89 E90 V91S89-R93 WeakPolarHBondContact O-CB 3.14Å; S89-R93 PolarHBondContact O-N 2.89Å; S89-R93 VanDerWaalsContact O-N 3.14Å; S89-R93 PolarHBondContact OG-NH2 3.41Å; E90-R93 PolarHBondContact O-N 3.35Å; V91-R93 VanDerWaalsContact C-N 3.32Å; V91-R93 PolarHBondContact O-N 2.85Å
94N92.4Very high95.1Very high105 Ų10548.8 Ų48.856%0.56125%0.253SS*.Hα-helixtrans-102.91-171.6-66.2-25000113.6E90 V91 I92 E96E90-N94 WeakPolarHBondContact CG-ND2 3.36Å; E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 PolarHBondContact O-N 3.06Å; E90-N94 PolarHBondContact OE1-ND2 3.47Å; V91-N94 PolarHBondContact O-N 2.91Å; I92-N94 PolarHBondContact O-N 2.84Å; N94-E96 PolarHBondContact O-N 2.91Å
95S91.7Very high95.2Very high23 Ų2348.1 Ų48.116%0.16125%0.25CS..  trans-73.9113.7177.4-68.70000110.5V91 P97 L99V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.13Å; V91-S95 VanDerWaalsContact O-N 3.11Å; V91-S95 PolarHBondContact O-OG 3.18Å; S95-P97 CarbonylContact C-O 3.24Å; S95-P97 CarbonylContact O-C 3.12Å; S95-L99 WeakPolarHBondContact OG-CD2 3.38Å
96E91Very high95.4Very high189 Ų18947.9 Ų47.988%0.88325%0.249SC*.SBendtrans-132.1107.8172-166.9171.7-169.400109.2N94N94-E96 PolarHBondContact O-N 2.91Å
97P93.4Very high95.6Very high105 Ų10547.4 Ų47.468%0.68225%0.246SC*.SBendcis-66166.2131.8-37.3000113.3S95S95-P97 CarbonylContact C-O 3.24Å; S95-P97 CarbonylContact O-C 3.12Å
98P94.8Very high95.8Very high77 Ų7745.5 Ų45.550%0.524%0.236SC..PPolyproline II helixtrans-46.5153.9169.4-3339.3000113.7T100 S179P98-T100 PolarHBondContact O-N 2.74Å; P98-S179 WeakPolarHBondContact CB-OG 3.2Å
99L96.6Very high95.9Very high17 Ų1746.7 Ų46.79%0.08924%0.242CC..PPolyproline II helixtrans-55.1135.1176.4-68175.5000110.6V91 I92 S95 Q103 Y107 L176 P280V91-L99 HydrophobicContact CG1-CD1 4.22Å; V91-L99 HydrophobicContact CG1-CD2 4.03Å; I92-L99 HydrophobicContact CG1-CD1 4.17Å; S95-L99 WeakPolarHBondContact OG-CD2 3.38Å; L99-Q103 HydrophobicContact CD2-CB 4.36Å; L99-Y107 HydrophobicContact CD1-CD2 4.26Å; L99-Y107 HydrophobicContact CD1-CE2 4.1Å; L99-Y107 HydrophobicContact CD2-CE2 4.23Å; L99-L176 HydrophobicContact CD1-CD2 3.59Å; L99-P280 HydrophobicContact CD2-CG 3.5Å; L99-P280 VanDerWaalsContact CD2-CG 3.5Å
100T96.9Very high96.1Very high61 Ų6146 Ų4637%0.37424%0.237SC..PPolyproline II helixtrans-72.6164.9174.181.30000110.7P98 E102 Q103 S104P98-T100 PolarHBondContact O-N 2.74Å; T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 WeakPolarHBondContact CB-OE2 3.43Å; T100-E102 PolarHBondContact O-N 3.08Å; T100-E102 PolarHBondContact OG1-N 2.96Å; T100-E102 PolarHBondContact OG1-OE2 2.66Å; T100-Q103 PolarHBondContact O-N 2.87Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.45Å; T100-S104 PolarHBondContact O-N 3.42Å; T100-S104 PolarHBondContact O-OG 2.94Å; T100-S104 VanDerWaalsContact O-OG 3.07Å
101E97.1Very high96.3Very high36 Ų3644.6 Ų44.617%0.16823%0.23CC..Hα-helixtrans-65.7-34.7178.5-162-179.7134.500111.6Q103 S104 K105 L177 S237 Y266E101-Q103 VanDerWaalsContact C-N 3.33Å; E101-Q103 PolarHBondContact O-N 2.97Å; E101-S104 PolarHBondContact O-N 3.32Å; E101-K105 WeakPolarHBondContact O-CB 3.22Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 3.06Å; E101-K105 WeakPolarHBondContact OE1-CE 3.27Å; E101-K105 IonicContact OE1-NZ 3Å; E101-L177 HydrophobicContact CG-CD2 4.43Å; E101-S237 WeakPolarHBondContact OE1-CB 3.26Å; E101-S237 PolarHBondContact OE1-OG 2.91Å; E101-S237 WeakPolarHBondContact OE2-CB 3.5Å; E101-S237 PolarHBondContact OE2-N 2.94Å; E101-S237 PolarHBondContact OE2-OG 3.25Å; E101-Y266 HydrophobicContact CG-CE2 3.97Å; E101-Y266 WeakPolarHBondContact CG-OH 3.21Å; E101-Y266 VanDerWaalsContact OE1-CE2 3.22Å; E101-Y266 WeakPolarHBondContact OE1-CE2 3.39Å
102E98Very high96.4Very high64 Ų6444.4 Ų44.430%0.29923%0.229SC..Hα-helixtrans-60.5-42.7173.7-5893.615000111.7T100 K105 C106 P271 L272 A274T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 WeakPolarHBondContact CB-OE2 3.43Å; T100-E102 PolarHBondContact O-N 3.08Å; T100-E102 PolarHBondContact OG1-N 2.96Å; T100-E102 PolarHBondContact OG1-OE2 2.66Å; E102-K105 WeakPolarHBondContact O-CB 3.33Å; E102-K105 PolarHBondContact O-N 3.09Å; E102-C106 PolarHBondContact O-N 3.27Å; E102-P271 HydrophobicContact CG-CB 3.48Å; E102-P271 VanDerWaalsContact CG-CB 3.48Å; E102-P271 HydrophobicContact CG-CG 3.68Å; E102-P271 VanDerWaalsContact OE1-CB 3.25Å; E102-P271 WeakPolarHBondContact OE1-CB 3.29Å; E102-P271 WeakPolarHBondContact OE1-CG 3.48Å; E102-L272 WeakPolarHBondContact CB-O 3.22Å; E102-L272 WeakPolarHBondContact CG-O 3.35Å; E102-A274 HydrophobicContact CB-CB 3.85Å; E102-A274 PolarHBondContact O-N 2.92Å
103Q97.9Very high96.5Very high30 Ų3049.3 Ų49.314%0.1425%0.247CC..Hα-helixtrans-67.4-43.4176.5-65.6173.4-3000110.6L99 T100 E101 K105 C106 Y107 A274 E278 L279L99-Q103 HydrophobicContact CD2-CB 4.36Å; T100-Q103 PolarHBondContact O-N 2.87Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.45Å; E101-Q103 VanDerWaalsContact C-N 3.33Å; E101-Q103 PolarHBondContact O-N 2.97Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; Q103-K105 PolarHBondContact O-N 3.36Å; Q103-C106 WeakPolarHBondContact O-CB 3.47Å; Q103-C106 PolarHBondContact O-N 3.05Å; Q103-C106 VanDerWaalsContact O-N 3.15Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.36Å; Q103-Y107 PolarHBondContact O-N 3.45Å; Q103-A274 HydrophobicContact CG-CB 4.13Å; Q103-E278 PolarHBondContact NE2-O 2.86Å; Q103-L279 HydrophobicContact CB-CD2 4Å; Q103-L279 HydrophobicContact CG-CD2 4.09Å
104S97.9Very high96.5Very high1 Ų141.1 Ų41.11%0.00722%0.216CC..Hα-helixtrans-59.7-43.2175-62.60000111.8T100 E101 C106 Y107 M108T100-S104 PolarHBondContact O-N 3.42Å; T100-S104 PolarHBondContact O-OG 2.94Å; T100-S104 VanDerWaalsContact O-OG 3.07Å; E101-S104 PolarHBondContact O-N 3.32Å; S104-C106 VanDerWaalsContact C-N 3.34Å; S104-C106 PolarHBondContact O-N 2.76Å; S104-Y107 PolarHBondContact O-N 3.45Å; S104-M108 WeakPolarHBondContact O-CB 3.35Å; S104-M108 VanDerWaalsContact O-CG 3.29Å; S104-M108 WeakPolarHBondContact O-CG 3.5Å; S104-M108 PolarHBondContact O-N 2.64Å
105K98.5Very high96.6Very high1 Ų136.2 Ų36.20%0.00419%0.19CC..Hα-helixtrans-56.6-46.1172.4-78.4177.4-170.2-167.60111.7E101 E102 Q103 M108 L109 Y266 F267 T269 P271 P273E101-K105 WeakPolarHBondContact O-CB 3.22Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 3.06Å; E101-K105 WeakPolarHBondContact OE1-CE 3.27Å; E101-K105 IonicContact OE1-NZ 3Å; E102-K105 WeakPolarHBondContact O-CB 3.33Å; E102-K105 PolarHBondContact O-N 3.09Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; Q103-K105 PolarHBondContact O-N 3.36Å; K105-M108 PolarHBondContact O-N 3.25Å; K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.19Å; K105-Y266 HydrophobicContact CB-CE1 4.29Å; K105-Y266 HydrophobicContact CD-CE1 4.36Å; K105-Y266 HydrophobicContact CD-CE2 4.31Å; K105-Y266 WeakPolarHBondContact CD-O 3.47Å; K105-Y266 WeakPolarHBondContact CE-O 3.45Å; K105-Y266 HydrophobicContact CG-CD1 4.06Å; K105-Y266 HydrophobicContact CG-CE1 3.36Å; K105-Y266 HydrophobicContact CG-CE2 3.95Å; K105-Y266 WeakPolarHBondContact CG-OH 3.32Å; K105-Y266 PolarHBondContact NZ-O 3.08Å; K105-F267 HydrophobicContact CB-CD1 4.37Å; K105-F267 HydrophobicContact CG-CD1 4.4Å; K105-T269 PolarHBondContact NZ-O 3.46Å; K105-P271 WeakPolarHBondContact CD-O 3.2Å; K105-P271 WeakPolarHBondContact CE-O 3.42Å; K105-P271 PolarHBondContact NZ-O 2.87Å; K105-P273 HydrophobicContact CB-CB 3.88Å; K105-P273 HydrophobicContact CB-CG 3.98Å
106C98.2Very high96.7Very high12 Ų1239 Ų398%0.08120%0.2CC..Hα-helixtrans-62.2-48.4-179.9-170.90000111.6E102 Q103 S104 M108 L109 M110 P273 A274 L279E102-C106 PolarHBondContact O-N 3.27Å; Q103-C106 WeakPolarHBondContact O-CB 3.47Å; Q103-C106 PolarHBondContact O-N 3.05Å; Q103-C106 VanDerWaalsContact O-N 3.15Å; S104-C106 VanDerWaalsContact C-N 3.34Å; S104-C106 PolarHBondContact O-N 2.76Å; C106-M108 PolarHBondContact O-N 2.69Å; C106-L109 PolarHBondContact O-N 3.3Å; C106-M110 WeakPolarHBondContact O-CG 3.42Å; C106-M110 PolarHBondContact O-N 3.28Å; C106-M110 VanDerWaalsContact O-N 3.16Å; C106-P273 HydrophobicContact CB-CB 4.46Å; C106-A274 HydrophobicContact CB-CB 4.39Å; C106-A274 WeakPolarHBondContact CB-O 3.42Å; C106-A274 PolarHBondContact SG-O 2.73Å; C106-L279 HydrophobicContact CB-CD2 4.08Å
107Y98.4Very high96.7Very high1 Ų132 Ų320%0.00417%0.171CC..Hα-helixtrans-60.8-45.1174.7-73.1-54.7000112.4L88 V91 L99 Q103 S104 L109 M110 I111 I135 L141 L176 L279L88-Y107 HydrophobicContact CD1-CD1 3.92Å; L88-Y107 HydrophobicContact CD1-CD2 3.97Å; L88-Y107 HydrophobicContact CD1-CE1 4.07Å; L88-Y107 HydrophobicContact CD1-CE2 4.1Å; L88-Y107 HydrophobicContact CD1-CG 3.88Å; V91-Y107 HydrophobicContact CG1-CE2 4.27Å; L99-Y107 HydrophobicContact CD1-CD2 4.26Å; L99-Y107 HydrophobicContact CD1-CE2 4.1Å; L99-Y107 HydrophobicContact CD2-CE2 4.23Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.36Å; Q103-Y107 PolarHBondContact O-N 3.45Å; S104-Y107 PolarHBondContact O-N 3.45Å; Y107-L109 VanDerWaalsContact C-N 3.33Å; Y107-L109 PolarHBondContact O-N 2.89Å; Y107-M110 HydrophobicContact CD1-CE 3.62Å; Y107-M110 HydrophobicContact CE1-CE 4.06Å; Y107-M110 HydrophobicContact CG-CE 4.49Å; Y107-M110 PolarHBondContact O-N 2.9Å; Y107-M110 VanDerWaalsContact O-N 3.14Å; Y107-I111 VanDerWaalsContact O-CG1 3.27Å; Y107-I111 WeakPolarHBondContact O-CG1 3.34Å; Y107-I111 PolarHBondContact O-N 3.43Å; Y107-I135 HydrophobicContact CE1-CD1 3.69Å; Y107-I135 HydrophobicContact CE1-CG1 4.26Å; Y107-L141 HydrophobicContact CD1-CB 4.16Å; Y107-L141 HydrophobicContact CD1-CD1 3.59Å; Y107-L141 HydrophobicContact CE1-CD1 4.33Å; Y107-L141 HydrophobicContact CG-CD1 4.33Å; Y107-L176 HydrophobicContact CD2-CD2 4.17Å; Y107-L279 HydrophobicContact CE1-CD1 3.98Å; Y107-L279 HydrophobicContact CE2-CD2 4.06Å
108M98.6Very high96.6Very high0 Ų027.1 Ų27.10%014%0.138CC..Hα-helixtrans-60.3-40.3178.5-79.1-59.7-63.300112.8S104 K105 C106 I111 L112 I169 F173 L176 F247 F267S104-M108 WeakPolarHBondContact O-CB 3.35Å; S104-M108 VanDerWaalsContact O-CG 3.29Å; S104-M108 WeakPolarHBondContact O-CG 3.5Å; S104-M108 PolarHBondContact O-N 2.64Å; K105-M108 PolarHBondContact O-N 3.25Å; C106-M108 PolarHBondContact O-N 2.69Å; M108-I111 PolarHBondContact O-N 3.2Å; M108-I111 HydrophobicContact SD-CD1 4.22Å; M108-L112 HydrophobicContact CE-CD1 4.41Å; M108-L112 WeakPolarHBondContact O-CB 3.44Å; M108-L112 VanDerWaalsContact O-CG 3.26Å; M108-L112 WeakPolarHBondContact O-CG 3.44Å; M108-L112 PolarHBondContact O-N 3.02Å; M108-I169 HydrophobicContact CE-CG2 3.59Å; M108-F173 HydrophobicContact CE-CB 3.65Å; M108-F173 HydrophobicContact CE-CD1 4Å; M108-F173 HydrophobicContact CE-CD2 4.19Å; M108-F173 HydrophobicContact CE-CG 3.67Å; M108-F173 HydrophobicContact CG-CB 4.38Å; M108-F173 HydrophobicContact CG-CD2 3.42Å; M108-F173 VanDerWaalsContact CG-CD2 3.42Å; M108-F173 HydrophobicContact CG-CE2 3.89Å; M108-F173 HydrophobicContact CG-CG 3.93Å; M108-F173 HydrophobicContact SD-CB 3.5Å; M108-F173 WeakPolarHBondContact SD-CB 3.38Å; M108-F173 HydrophobicContact SD-CD2 3.75Å; M108-F173 HydrophobicContact SD-CG 3.68Å; M108-L176 HydrophobicContact CG-CD1 3.9Å; M108-L176 HydrophobicContact SD-CD1 3.97Å; M108-F247 HydrophobicContact CE-CE2 4.26Å; M108-F267 HydrophobicContact CB-CE1 3.81Å; M108-F267 HydrophobicContact CB-CZ 3.92Å
109L98.5Very high96.3Very high25 Ų2524.6 Ų24.613%0.13112%0.12CC..Hα-helixtrans-62.8-42.6174.3-77.3174.3000112.2K105 C106 Y107 L112 R113 L262 F267 P273K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.19Å; C106-L109 PolarHBondContact O-N 3.3Å; Y107-L109 VanDerWaalsContact C-N 3.33Å; Y107-L109 PolarHBondContact O-N 2.89Å; L109-L112 PolarHBondContact O-N 3.38Å; L109-R113 WeakPolarHBondContact O-CB 3.23Å; L109-R113 VanDerWaalsContact O-CG 3.22Å; L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.11Å; L109-L262 HydrophobicContact CD2-CD2 4.15Å; L109-F267 HydrophobicContact CD1-CD1 4.03Å; L109-F267 HydrophobicContact CD2-CB 4.26Å; L109-F267 HydrophobicContact CD2-CD1 3.57Å; L109-F267 HydrophobicContact CD2-CD2 4.09Å; L109-F267 HydrophobicContact CD2-CE1 3.85Å; L109-F267 HydrophobicContact CD2-CE2 4.34Å; L109-F267 HydrophobicContact CD2-CG 3.7Å; L109-F267 HydrophobicContact CD2-CZ 4.23Å; L109-F267 HydrophobicContact CG-CD1 3.5Å; L109-F267 HydrophobicContact CG-CE1 3.67Å; L109-F267 HydrophobicContact CG-CG 4.15Å; L109-F267 HydrophobicContact CG-CZ 4.44Å; L109-P273 HydrophobicContact CD1-CB 3.93Å; L109-P273 HydrophobicContact CD1-CG 3.55Å
110M98.3Very high95.8Very high8 Ų827.5 Ų27.54%0.03915%0.147CC..Hα-helixtrans-64.8-42.1177.4-66.2-170.3-79.900111.6Y63 C106 Y107 G114 V140 L141 L276 L279Y63-M110 HydrophobicContact CD1-CB 3.89Å; Y63-M110 HydrophobicContact CD1-CG 3.98Å; Y63-M110 HydrophobicContact CE1-CB 4.05Å; Y63-M110 HydrophobicContact CE1-CG 3.64Å; Y63-M110 HydrophobicContact CE1-SD 4.25Å; C106-M110 WeakPolarHBondContact O-CG 3.42Å; C106-M110 PolarHBondContact O-N 3.28Å; C106-M110 VanDerWaalsContact O-N 3.16Å; Y107-M110 HydrophobicContact CD1-CE 3.62Å; Y107-M110 HydrophobicContact CE1-CE 4.06Å; Y107-M110 HydrophobicContact CG-CE 4.49Å; Y107-M110 PolarHBondContact O-N 2.9Å; Y107-M110 VanDerWaalsContact O-N 3.14Å; M110-G114 PolarHBondContact O-N 2.83Å; M110-V140 HydrophobicContact SD-CG1 4.48Å; M110-L141 HydrophobicContact CB-CB 4Å; M110-L141 HydrophobicContact CB-CD2 4.23Å; M110-L141 HydrophobicContact CE-CB 3.72Å; M110-L141 HydrophobicContact SD-CB 3.9Å; M110-L141 PolarHBondContact SD-N 3.3Å; M110-L276 HydrophobicContact CE-CD2 4.17Å; M110-L276 HydrophobicContact SD-CD2 3.99Å; M110-L279 HydrophobicContact CE-CD1 3.96Å
111I98.4Very high95.3Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-60.8-53175.5-65.6162.5000110.2L88 Y107 M108 R113 G114 V115 L133 L141 I169 I172L88-I111 HydrophobicContact CD2-CD1 4.15Å; Y107-I111 VanDerWaalsContact O-CG1 3.27Å; Y107-I111 WeakPolarHBondContact O-CG1 3.34Å; Y107-I111 PolarHBondContact O-N 3.43Å; M108-I111 PolarHBondContact O-N 3.2Å; M108-I111 HydrophobicContact SD-CD1 4.22Å; I111-R113 PolarHBondContact O-N 3.16Å; I111-G114 PolarHBondContact O-N 2.84Å; I111-V115 HydrophobicContact CG2-CG2 4.48Å; I111-V115 WeakPolarHBondContact O-CG2 3.45Å; I111-V115 PolarHBondContact O-N 2.85Å; I111-L133 HydrophobicContact CD1-CD1 3.62Å; I111-L133 HydrophobicContact CG1-CD1 3.79Å; I111-L133 HydrophobicContact CG1-CD2 4.36Å; I111-L141 HydrophobicContact CD1-CD1 4.27Å; I111-L141 HydrophobicContact CG1-CD1 3.96Å; I111-L141 HydrophobicContact CG1-CD2 3.75Å; I111-I169 HydrophobicContact CG2-CG1 4.17Å; I111-I172 HydrophobicContact CD1-CG2 3.88Å
112L97.9Very high94.7Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-61.1-43.8-177.4-73.7169.1000111.9M108 L109 V115 E116 I169 F247 V258 A261 L262 F267M108-L112 HydrophobicContact CE-CD1 4.41Å; M108-L112 WeakPolarHBondContact O-CB 3.44Å; M108-L112 VanDerWaalsContact O-CG 3.26Å; M108-L112 WeakPolarHBondContact O-CG 3.44Å; M108-L112 PolarHBondContact O-N 3.02Å; L109-L112 PolarHBondContact O-N 3.38Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-E116 WeakPolarHBondContact O-CB 3.4Å; L112-E116 PolarHBondContact O-N 3.23Å; L112-I169 HydrophobicContact CD2-CD1 4.19Å; L112-I169 HydrophobicContact CD2-CG2 4.12Å; L112-F247 HydrophobicContact CD2-CE1 4.49Å; L112-F247 HydrophobicContact CD2-CZ 3.99Å; L112-V258 HydrophobicContact CB-CG1 4.32Å; L112-V258 HydrophobicContact CD2-CG1 4.02Å; L112-V258 HydrophobicContact CD2-CG2 4.44Å; L112-V258 WeakPolarHBondContact O-CG1 3.38Å; L112-A261 HydrophobicContact CD1-CB 4.08Å; L112-A261 HydrophobicContact CD2-CB 3.93Å; L112-L262 HydrophobicContact CB-CD2 3.53Å; L112-L262 HydrophobicContact CB-CG 3.88Å; L112-L262 HydrophobicContact CD1-CD2 4.25Å; L112-L262 HydrophobicContact CD1-CG 4.48Å; L112-F267 HydrophobicContact CD1-CE2 3.65Å; L112-F267 HydrophobicContact CD1-CZ 3.54Å
113R97.3Very high94Very high109 Ų10923.8 Ų23.841%0.41113%0.13SC..Hα-helixtrans-65.1-39.4176.1-71.3175.5179174.31.5112.2Y63 L109 I111 E116 V117 L262Y63-R113 HydrophobicContact CD2-CB 3.45Å; Y63-R113 VanDerWaalsContact CD2-CB 3.45Å; Y63-R113 HydrophobicContact CE2-CB 3.52Å; Y63-R113 VanDerWaalsContact CE2-CD 3.48Å; Y63-R113 HydrophobicContact CE2-CG 4.15Å; Y63-R113 HydrophobicContact CG-CB 4.29Å; Y63-R113 PolarHBondContact OH-NH1 2.89Å; Y63-R113 VanDerWaalsContact OH-NH1 3.09Å; L109-R113 WeakPolarHBondContact O-CB 3.23Å; L109-R113 VanDerWaalsContact O-CG 3.22Å; L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.11Å; I111-R113 PolarHBondContact O-N 3.16Å; R113-E116 PolarHBondContact O-N 2.96Å; R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 3.26Å; R113-L262 HydrophobicContact CG-CD2 3.96Å
114G95.7Very high93.4Very high0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-59.9-47.3173.800000112M110 I111 V117 M118 I143M110-G114 PolarHBondContact O-N 2.83Å; I111-G114 PolarHBondContact O-N 2.84Å; G114-V117 PolarHBondContact O-N 3.23Å; G114-M118 VanDerWaalsContact O-CG 3.3Å; G114-M118 WeakPolarHBondContact O-CG 3.35Å; G114-M118 PolarHBondContact O-N 3.38Å; G114-I143 VanDerWaalsContact C-CD1 3.48Å
115V94.3Very high93Very high2 Ų222.9 Ų22.91%0.01213%0.125CC..Hα-helixtrans-68.2-36.3178.6-179.60000111.7I111 L112 M118 H119 L128 I143 A165 I169 V258I111-V115 HydrophobicContact CG2-CG2 4.48Å; I111-V115 WeakPolarHBondContact O-CG2 3.45Å; I111-V115 PolarHBondContact O-N 2.85Å; L112-V115 PolarHBondContact O-N 3.15Å; V115-M118 PolarHBondContact O-N 3.47Å; V115-H119 WeakPolarHBondContact CG1-CE1 3.32Å; V115-H119 WeakPolarHBondContact CG1-NE2 3.35Å; V115-H119 WeakPolarHBondContact O-CB 3.04Å; V115-H119 VanDerWaalsContact O-CG 3.31Å; V115-H119 PolarHBondContact O-N 3.37Å; V115-L128 HydrophobicContact CG2-CD1 3.68Å; V115-L128 HydrophobicContact CG2-CD2 4.45Å; V115-I143 HydrophobicContact CG2-CD1 3.68Å; V115-A165 HydrophobicContact CG1-CB 4.43Å; V115-I169 HydrophobicContact CB-CD1 4.34Å; V115-I169 HydrophobicContact CG1-CD1 4.27Å; V115-I169 HydrophobicContact CG2-CD1 4.04Å; V115-V258 HydrophobicContact CB-CG2 4.33Å; V115-V258 HydrophobicContact CG1-CG2 3.77Å
116E93.1Very high92.4Very high80 Ų8028.8 Ų28.837%0.37415%0.148SC..Hα-helixtrans-58.7-47.6174.1-174.7175.6-125.300111.1L112 R113 M118 H119 A120 V258 L262L112-E116 WeakPolarHBondContact O-CB 3.4Å; L112-E116 PolarHBondContact O-N 3.23Å; R113-E116 PolarHBondContact O-N 2.96Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.08Å; E116-H119 PolarHBondContact O-N 2.86Å; E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 3.28Å; E116-V258 HydrophobicContact CB-CG1 3.88Å; E116-L262 HydrophobicContact CB-CD1 4.19Å; E116-L262 VanDerWaalsContact CD-CD1 3.46Å; E116-L262 HydrophobicContact CG-CD1 4.37Å; E116-L262 WeakPolarHBondContact OE1-CD1 3.43Å; E116-L262 WeakPolarHBondContact OE2-CD1 3.42Å
117V91.8Very high92Very high44 Ų4430 Ų3027%0.26715%0.154SC..Hα-helixtrans-61.1-43.4176.21710000111.4I58 R113 G114 A120 N121I58-V117 HydrophobicContact CG2-CG1 3.91Å; R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 3.26Å; G114-V117 PolarHBondContact O-N 3.23Å; V117-A120 PolarHBondContact O-N 3.26Å; V117-N121 PolarHBondContact O-N 2.94Å; V117-N121 VanDerWaalsContact O-N 3.16Å; V117-N121 PolarHBondContact O-ND2 3.48Å
118M90.6Very high91.8Very high1 Ų130.7 Ų30.71%0.00516%0.157CC..Hα-helixtrans-60.3-49176.8-69.7178.358.700111.7I58 V64 G114 V115 E116 A120 N121 G122 I123 H125 I143 F146I58-M118 HydrophobicContact CD1-CG 3.83Å; V64-M118 HydrophobicContact CG2-CG 4.03Å; V64-M118 HydrophobicContact CG2-SD 4.48Å; G114-M118 VanDerWaalsContact O-CG 3.3Å; G114-M118 WeakPolarHBondContact O-CG 3.35Å; G114-M118 PolarHBondContact O-N 3.38Å; V115-M118 PolarHBondContact O-N 3.47Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.08Å; M118-A120 VanDerWaalsContact C-N 3.34Å; M118-A120 PolarHBondContact O-N 2.78Å; M118-N121 CarbonylContact O-C 3.6Å; M118-N121 PolarHBondContact O-N 2.83Å; M118-N121 VanDerWaalsContact O-N 3.11Å; M118-G122 PolarHBondContact O-N 3.11Å; M118-I123 CarbonylContact C-O 3.5Å; M118-I123 VanDerWaalsContact C-O 3.24Å; M118-I123 HydrophobicContact CE-CG2 3.93Å; M118-I123 PolarHBondContact O-N 2.93Å; M118-I123 VanDerWaalsContact O-O 3.12Å; M118-H125 HydrophobicContact CE-CB 3.42Å; M118-H125 VanDerWaalsContact CE-CB 3.42Å; M118-H125 HydrophobicContact SD-CB 4.35Å; M118-I143 HydrophobicContact SD-CB 4.43Å; M118-I143 HydrophobicContact SD-CD1 3.77Å; M118-I143 HydrophobicContact SD-CG2 3.98Å; M118-F146 HydrophobicContact CE-CD1 4.06Å; M118-F146 HydrophobicContact CE-CE1 3.28Å; M118-F146 HydrophobicContact CE-CZ 3.85Å; M118-F146 HydrophobicContact CG-CE1 4.2Å; M118-F146 HydrophobicContact CG-CZ 4.34Å; M118-F146 HydrophobicContact SD-CE1 3.76Å; M118-F146 HydrophobicContact SD-CZ 3.72Å
119H88.5Confident91.6Very high24 Ų2434.6 Ų34.611%0.11117%0.174CC..Hα-helixtrans-64.1-38.5179.7-71.3179.6000112.1V115 E116 N121 G122 H162V115-H119 WeakPolarHBondContact CG1-CE1 3.32Å; V115-H119 WeakPolarHBondContact CG1-NE2 3.35Å; V115-H119 WeakPolarHBondContact O-CB 3.04Å; V115-H119 VanDerWaalsContact O-CG 3.31Å; V115-H119 PolarHBondContact O-N 3.37Å; E116-H119 PolarHBondContact O-N 2.86Å; H119-N121 PolarHBondContact O-N 3.36Å; H119-G122 PolarHBondContact O-N 2.89Å; H119-H162 AromaticContact CD2-ND1 3.94Å; H119-H162 AromaticContact CE1-ND1 3.72Å; H119-H162 AromaticContact CG-ND1 3.66Å; H119-H162 AromaticContact ND1-ND1 3.51Å; H119-H162 AromaticContact NE2-ND1 3.95Å
120A86.6Confident91.5Very high79 Ų7934 Ų3465%0.65317%0.172SC*.Hα-helixtrans-62.3-28.6175.100000112.7E116 V117 M118 G122E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 3.28Å; V117-A120 PolarHBondContact O-N 3.26Å; M118-A120 VanDerWaalsContact C-N 3.34Å; M118-A120 PolarHBondContact O-N 2.78Å; A120-G122 VanDerWaalsContact C-N 3.33Å
121N85.9Confident91.2Very high72 Ų7235.7 Ų35.739%0.38519%0.187SC..THydrogen-bonded Turntrans-91.212.3175-74.4-79.4000113.5I58 V117 M118 H119 I123I58-N121 HydrophobicContact CG1-CB 4.39Å; V117-N121 PolarHBondContact O-N 2.94Å; V117-N121 VanDerWaalsContact O-N 3.16Å; V117-N121 PolarHBondContact O-ND2 3.48Å; M118-N121 CarbonylContact O-C 3.6Å; M118-N121 PolarHBondContact O-N 2.83Å; M118-N121 VanDerWaalsContact O-N 3.11Å; H119-N121 PolarHBondContact O-N 3.36Å; N121-I123 HydrophobicContact CB-CD1 4.09Å; N121-I123 PolarHBondContact O-N 2.93Å
122G83.8Confident91.1Very high9 Ų936.3 Ų36.39%0.09319%0.19CC..THydrogen-bonded Turntrans67.123.5-179.400000113.2M118 H119 A120 V151 F152M118-G122 PolarHBondContact O-N 3.11Å; H119-G122 PolarHBondContact O-N 2.89Å; A120-G122 VanDerWaalsContact C-N 3.33Å; G122-V151 CarbonylContact O-C 3.54Å; G122-V151 VanDerWaalsContact O-CA 3.29Å; G122-V151 WeakPolarHBondContact O-CA 3.06Å; G122-F152 VanDerWaalsContact C-CD1 3.46Å; G122-F152 VanDerWaalsContact CA-CZ 3.49Å; G122-F152 WeakPolarHBondContact O-CD1 3.43Å; G122-F152 WeakPolarHBondContact O-CE1 3.49Å; G122-F152 PolarHBondContact O-N 3.38Å
123I84.4Confident91Very high1 Ų136.3 Ų36.31%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-111.7132.4-177.2-65.3160.9000110.1A54 F57 I58 M118 N121 F146 A149A54-I123 HydrophobicContact CB-CD1 4.03Å; A54-I123 HydrophobicContact CB-CG1 4.38Å; A54-I123 HydrophobicContact CB-CG2 4.07Å; A54-I123 WeakPolarHBondContact O-CD1 3.35Å; F57-I123 HydrophobicContact CB-CD1 4.1Å; I58-I123 HydrophobicContact CD1-CD1 3.67Å; I58-I123 HydrophobicContact CD1-CG2 4.45Å; I58-I123 HydrophobicContact CG1-CD1 3.52Å; M118-I123 CarbonylContact C-O 3.5Å; M118-I123 VanDerWaalsContact C-O 3.24Å; M118-I123 HydrophobicContact CE-CG2 3.93Å; M118-I123 PolarHBondContact O-N 2.93Å; M118-I123 VanDerWaalsContact O-O 3.12Å; N121-I123 HydrophobicContact CB-CD1 4.09Å; N121-I123 PolarHBondContact O-N 2.93Å; I123-F146 HydrophobicContact CG2-CD1 4.18Å; I123-F146 HydrophobicContact CG2-CE1 4.15Å; I123-A149 HydrophobicContact CG2-CB 4.42Å
124M84.5Confident91Very high10 Ų1033.2 Ų33.25%0.04918%0.182CC..EExtended strand (participates in β ladder)trans-114.6128.7174-166.5158.9-63.100111.6R126 A149 R150 F152 S161M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 HydrophobicContact CG-CG 3.81Å; M124-R126 HydrophobicContact SD-CG 4.32Å; M124-A149 WeakPolarHBondContact O-CA 3.26Å; M124-A149 WeakPolarHBondContact O-CB 3.39Å; M124-R150 PolarHBondContact N-O 2.85Å; M124-R150 PolarHBondContact O-N 2.87Å; M124-F152 HydrophobicContact CB-CD1 4.1Å; M124-F152 HydrophobicContact CB-CE1 4.17Å; M124-F152 HydrophobicContact CE-CD1 4.03Å; M124-F152 HydrophobicContact CE-CE1 3.88Å; M124-S161 WeakPolarHBondContact CE-O 3.22Å; M124-S161 WeakPolarHBondContact CE-OG 3.17Å; M124-S161 WeakPolarHBondContact SD-CB 3.27Å
125H88.7Confident91Very high2 Ų233.4 Ų33.41%0.00918%0.183CC..  trans-68.3-50.4-178.4-162.7-91.6000112.9M118 D127 L128 I143 A144 D145M118-H125 HydrophobicContact CE-CB 3.42Å; M118-H125 VanDerWaalsContact CE-CB 3.42Å; M118-H125 HydrophobicContact SD-CB 4.35Å; H125-D127 PolarHBondContact CE1-O 3.05Å; H125-D127 VanDerWaalsContact CE1-O 3.23Å; H125-D127 PolarHBondContact ND1-N 3.17Å; H125-D127 PolarHBondContact ND1-O 3.21Å; H125-D127 PolarHBondContact O-N 3.37Å; H125-D127 VanDerWaalsContact O-N 3.08Å; H125-L128 HydrophobicContact CB-CD2 4.05Å; H125-L128 HydrophobicContact CB-CG 3.89Å; H125-L128 PolarHBondContact ND1-N 3.04Å; H125-I143 VanDerWaalsContact CD2-CG2 3.42Å; H125-I143 WeakPolarHBondContact CD2-CG2 3.48Å; H125-A144 PolarHBondContact CE1-O 3.38Å; H125-A144 PolarHBondContact NE2-O 2.85Å; H125-D145 PolarHBondContact CE1-O 2.96Å; H125-D145 PolarHBondContact NE2-O 2.63Å
126R87.3Confident91Very high126 Ų12634 Ų3448%0.47519%0.187SC..SBendtrans64.3-10.6-175.8-59.4179.942149.22118M124 L148M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 HydrophobicContact CG-CG 3.81Å; M124-R126 HydrophobicContact SD-CG 4.32Å; R126-L148 WeakPolarHBondContact CD-O 3.41Å
127D89.8Confident90.9Very high38 Ų3833.8 Ų33.820%0.20320%0.199CC..  trans-129.945.2176.8-168.629.4000111.3H125 K129 N132 L148H125-D127 PolarHBondContact CE1-O 3.05Å; H125-D127 VanDerWaalsContact CE1-O 3.23Å; H125-D127 PolarHBondContact ND1-N 3.17Å; H125-D127 PolarHBondContact ND1-O 3.21Å; H125-D127 PolarHBondContact O-N 3.37Å; H125-D127 VanDerWaalsContact O-N 3.08Å; D127-K129 VanDerWaalsContact CG-NZ 3.25Å; D127-K129 PolarHBondContact O-N 3.04Å; D127-K129 IonicContact OD1-NZ 2.75Å; D127-K129 PolarHBondContact OD1-NZ 3.29Å; D127-K129 IonicContact OD2-NZ 2.63Å; D127-K129 PolarHBondContact OD2-NZ 2.71Å; D127-N132 PolarHBondContact O-ND2 2.57Å; D127-N132 PolarHBondContact OD2-ND2 3.42Å; D127-L148 HydrophobicContact CB-CB 4.38Å; D127-L148 HydrophobicContact CB-CD1 3.93Å
128L93.5Very high90.9Very high15 Ų1538 Ų388%0.07922%0.216CC..  trans-70.9121.4175.9-73.9173.7000109V115 H125 L133 I143 A165 A168 I169 I172V115-L128 HydrophobicContact CG2-CD1 3.68Å; V115-L128 HydrophobicContact CG2-CD2 4.45Å; H125-L128 HydrophobicContact CB-CD2 4.05Å; H125-L128 HydrophobicContact CB-CG 3.89Å; H125-L128 PolarHBondContact ND1-N 3.04Å; L128-L133 HydrophobicContact CD2-CD2 4.28Å; L128-I143 HydrophobicContact CD2-CD1 4.41Å; L128-I143 HydrophobicContact CD2-CG2 3.91Å; L128-A165 HydrophobicContact CD1-CB 4.29Å; L128-A168 HydrophobicContact CB-CB 3.92Å; L128-I169 HydrophobicContact CD1-CD1 4.45Å; L128-I169 HydrophobicContact CD1-CG1 4.09Å; L128-I172 HydrophobicContact CB-CD1 4.14Å
129K94.3Very high91Very high82 Ų8238.4 Ų38.436%0.35722%0.22SC..  trans-158.1159.4175.762.4-166.9178.6-143.50109.1D127 A131 N132D127-K129 VanDerWaalsContact CG-NZ 3.25Å; D127-K129 PolarHBondContact O-N 3.04Å; D127-K129 IonicContact OD1-NZ 2.75Å; D127-K129 PolarHBondContact OD1-NZ 3.29Å; D127-K129 IonicContact OD2-NZ 2.63Å; D127-K129 PolarHBondContact OD2-NZ 2.71Å; K129-A131 HydrophobicContact CG-CB 4.45Å; K129-A131 PolarHBondContact O-N 3.5Å; K129-A131 VanDerWaalsContact O-N 3.12Å; K129-N132 WeakPolarHBondContact CE-ND2 3.34Å; K129-N132 HydrophobicContact CG-CB 4.12Å; K129-N132 PolarHBondContact O-N 3.4Å
130P96.4Very high91.4Very high12 Ų1238.7 Ų38.78%0.07822%0.223CC..G310 helixtrans-54.5-36-175.8-27.936.7000114.3L88 S89 I92 N132 L133 I172 E175L88-P130 HydrophobicContact CB-CB 4.19Å; L88-P130 WeakPolarHBondContact CB-O 3.48Å; L88-P130 HydrophobicContact CG-CB 4.47Å; L88-P130 PolarHBondContact N-O 3.31Å; S89-P130 PolarHBondContact N-O 3.37Å; I92-P130 HydrophobicContact CD1-CB 4.35Å; I92-P130 HydrophobicContact CD1-CG 4.41Å; P130-N132 PolarHBondContact O-N 2.96Å; P130-L133 PolarHBondContact O-N 2.84Å; P130-L133 VanDerWaalsContact O-N 3.13Å; P130-I172 HydrophobicContact CG-CG1 4.23Å; P130-E175 WeakPolarHBondContact CG-OE2 3.39Å
131A93.3Very high91.9Very high43 Ų4335 Ų3536%0.35519%0.192SC..G310 helixtrans-66.8-19.6177.900000114.5K129K129-A131 HydrophobicContact CG-CB 4.45Å; K129-A131 PolarHBondContact O-N 3.5Å; K129-A131 VanDerWaalsContact O-N 3.12Å
132N94.9Very high92.4Very high13 Ų1332.9 Ų32.97%0.0718%0.18CC..G310 helixtrans-97.48.8177.1-73.2-3.3000112.2D127 K129 P130 A144D127-N132 PolarHBondContact O-ND2 2.57Å; D127-N132 PolarHBondContact OD2-ND2 3.42Å; K129-N132 WeakPolarHBondContact CE-ND2 3.34Å; K129-N132 HydrophobicContact CG-CB 4.12Å; K129-N132 PolarHBondContact O-N 3.4Å; P130-N132 PolarHBondContact O-N 2.96Å; N132-A144 PolarHBondContact O-N 3.22Å
133L96.9Very high93Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-112.894176.9-58.9175.8000108.3D87 L88 I111 L128 P130 L141 I143 I172D87-L133 CarbonylContact C-O 3.57Å; D87-L133 WeakPolarHBondContact CA-O 3.45Å; L88-L133 HydrophobicContact CB-CB 3.92Å; L88-L133 HydrophobicContact CD2-CB 4.41Å; L88-L133 HydrophobicContact CD2-CD1 3.63Å; L88-L133 PolarHBondContact N-O 3.34Å; I111-L133 HydrophobicContact CD1-CD1 3.62Å; I111-L133 HydrophobicContact CG1-CD1 3.79Å; I111-L133 HydrophobicContact CG1-CD2 4.36Å; L128-L133 HydrophobicContact CD2-CD2 4.28Å; P130-L133 PolarHBondContact O-N 2.84Å; P130-L133 VanDerWaalsContact O-N 3.13Å; L133-L141 HydrophobicContact CB-CD1 4.05Å; L133-L141 HydrophobicContact CB-CD2 4.22Å; L133-L141 HydrophobicContact CB-CG 4.16Å; L133-L141 HydrophobicContact CD2-CD2 4.18Å; L133-I143 HydrophobicContact CD2-CB 4.42Å; L133-I143 HydrophobicContact CD2-CG1 3.81Å; L133-I172 HydrophobicContact CD1-CD1 4.12Å; L133-I172 HydrophobicContact CD1-CG2 4.1Å
134L96Very high93.4Very high45 Ų4532.8 Ų32.824%0.23618%0.178CC..EExtended strand (participates in β ladder)trans-85149.4-173.5-53.9-176.2000111.3M84 T86 D87 L141 K142 A144M84-L134 HydrophobicContact CB-CB 3.56Å; M84-L134 HydrophobicContact CB-CD1 4.02Å; M84-L134 HydrophobicContact CB-CG 4.37Å; M84-L134 HydrophobicContact CE-CB 4.04Å; M84-L134 WeakPolarHBondContact CE-O 3.3Å; M84-L134 HydrophobicContact CG-CB 3.62Å; M84-L134 HydrophobicContact CG-CD1 3.84Å; M84-L134 HydrophobicContact CG-CG 4.4Å; T86-L134 CarbonylContact O-C 3.59Å; T86-L134 WeakPolarHBondContact O-CA 3.24Å; D87-L134 HydrophobicContact CB-CD2 3.85Å; L134-L141 CarbonylContact O-C 3.17Å; L134-L141 VanDerWaalsContact O-CA 3.31Å; L134-L141 WeakPolarHBondContact O-CA 3.47Å; L134-K142 PolarHBondContact N-O 3.2Å; L134-K142 PolarHBondContact O-N 3.25Å; L134-A144 HydrophobicContact CD1-CB 3.46Å; L134-A144 VanDerWaalsContact CD1-CB 3.46Å; L134-A144 HydrophobicContact CG-CB 3.61Å
135I96.1Very high93.5Very high4 Ų434.6 Ų34.62%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-123.5130.6-176.3-60.2165.4000110.5V85 T86 L88 V91 Y107 V140 L141V85-I135 PolarHBondContact N-O 3.2Å; T86-I135 HydrophobicContact CG2-CB 3.91Å; T86-I135 HydrophobicContact CG2-CD1 4.39Å; T86-I135 PolarHBondContact N-O 2.94Å; T86-I135 PolarHBondContact O-N 2.92Å; L88-I135 HydrophobicContact CB-CD1 4.39Å; L88-I135 HydrophobicContact CD1-CD1 3.98Å; V91-I135 HydrophobicContact CB-CD1 4.29Å; V91-I135 HydrophobicContact CG2-CD1 3.55Å; Y107-I135 HydrophobicContact CE1-CD1 3.69Å; Y107-I135 HydrophobicContact CE1-CG1 4.26Å; I135-V140 WeakPolarHBondContact CA-O 3.19Å; I135-L141 HydrophobicContact CG1-CB 4.28Å; I135-L141 HydrophobicContact CG1-CG 4.44Å
136S94Very high93.1Very high14 Ų1434.5 Ų34.510%0.09819%0.188CC..  trans-77.9173.118086.20000111.9M84 E138 G139 V140M84-S136 VanDerWaalsContact CE-N 3.31Å; S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 2.89Å; S136-E138 PolarHBondContact OG-N 2.75Å; S136-E138 PolarHBondContact OG-OE2 3.09Å; S136-G139 PolarHBondContact O-N 2.77Å; S136-G139 VanDerWaalsContact O-N 3.08Å; S136-V140 PolarHBondContact N-O 3.21Å; S136-V140 PolarHBondContact OG-N 3.24Å
137A90.8Very high92.4Very high76 Ų7628.6 Ų28.663%0.62817%0.166SC*.THydrogen-bonded Turntrans-64.3-23.5176.400000112.9V85 G139V85-A137 HydrophobicContact CG2-CB 3.8Å; A137-G139 VanDerWaalsContact C-N 3.32Å
138E91.9Very high91.4Very high133 Ų13331 Ų3162%0.62118%0.178SC*.THydrogen-bonded Turntrans-88.92178-54.270.8-151.400112.5S136S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 2.89Å; S136-E138 PolarHBondContact OG-N 2.75Å; S136-E138 PolarHBondContact OG-OE2 3.09Å
139G93.5Very high90.3Very high9 Ų930.4 Ų30.49%0.09318%0.175CC..  trans84.47.4-179.300000114.8S136 A137 L141 L279S136-G139 PolarHBondContact O-N 2.77Å; S136-G139 VanDerWaalsContact O-N 3.08Å; A137-G139 VanDerWaalsContact C-N 3.32Å; G139-L141 PolarHBondContact O-N 3.21Å; G139-L279 VanDerWaalsContact O-CD1 3.32Å; G139-L279 WeakPolarHBondContact O-CD1 3.49Å
140V96.3Very high89Confident30 Ų3031.6 Ų31.618%0.18218%0.178CC..  trans-77.9121.5180-178.60000110.1P62 M110 I135 S136 K142 L276P62-V140 WeakPolarHBondContact O-CG1 3.35Å; M110-V140 HydrophobicContact SD-CG1 4.48Å; I135-V140 WeakPolarHBondContact CA-O 3.19Å; S136-V140 PolarHBondContact N-O 3.21Å; S136-V140 PolarHBondContact OG-N 3.24Å; V140-K142 HydrophobicContact CG1-CG 4.36Å; V140-L276 HydrophobicContact CG2-CD1 3.85Å
141L97.6Very high87.5Confident0 Ų035.2 Ų35.20%020%0.2CC..EExtended strand (participates in β ladder)trans-82.6132.2174.3-177.8156.4000110.9L88 Y107 M110 I111 L133 L134 I135 G139L88-L141 HydrophobicContact CD1-CD1 4.19Å; L88-L141 HydrophobicContact CD2-CD1 4.14Å; Y107-L141 HydrophobicContact CD1-CB 4.16Å; Y107-L141 HydrophobicContact CD1-CD1 3.59Å; Y107-L141 HydrophobicContact CE1-CD1 4.33Å; Y107-L141 HydrophobicContact CG-CD1 4.33Å; M110-L141 HydrophobicContact CB-CB 4Å; M110-L141 HydrophobicContact CB-CD2 4.23Å; M110-L141 HydrophobicContact CE-CB 3.72Å; M110-L141 HydrophobicContact SD-CB 3.9Å; M110-L141 PolarHBondContact SD-N 3.3Å; I111-L141 HydrophobicContact CD1-CD1 4.27Å; I111-L141 HydrophobicContact CG1-CD1 3.96Å; I111-L141 HydrophobicContact CG1-CD2 3.75Å; L133-L141 HydrophobicContact CB-CD1 4.05Å; L133-L141 HydrophobicContact CB-CD2 4.22Å; L133-L141 HydrophobicContact CB-CG 4.16Å; L133-L141 HydrophobicContact CD2-CD2 4.18Å; L134-L141 CarbonylContact O-C 3.17Å; L134-L141 VanDerWaalsContact O-CA 3.31Å; L134-L141 WeakPolarHBondContact O-CA 3.47Å; I135-L141 HydrophobicContact CG1-CB 4.28Å; I135-L141 HydrophobicContact CG1-CG 4.44Å; G139-L141 PolarHBondContact O-N 3.21Å
142K97Very high86.2Confident28 Ų2834 Ų3412%0.12219%0.187CC..EExtended strand (participates in β ladder)trans-131138.7174.7-57.7-171.9173.9-169.90111.8P62 Y63 E82 M84 L134 V140P62-K142 VanDerWaalsContact O-CE 3.24Å; P62-K142 WeakPolarHBondContact O-CE 3.3Å; P62-K142 WeakPolarHBondContact O-CG 3.3Å; Y63-K142 WeakPolarHBondContact O-CA 3.37Å; E82-K142 WeakPolarHBondContact OE1-CD 3.36Å; E82-K142 IonicContact OE1-NZ 3.65Å; E82-K142 PolarHBondContact OE1-NZ 3.42Å; E82-K142 IonicContact OE2-NZ 2.69Å; E82-K142 PolarHBondContact OE2-NZ 3.47Å; M84-K142 HydrophobicContact CE-CB 3.89Å; M84-K142 HydrophobicContact CE-CD 3.96Å; M84-K142 HydrophobicContact CE-CG 3.79Å; M84-K142 HydrophobicContact SD-CD 4.26Å; L134-K142 PolarHBondContact N-O 3.2Å; L134-K142 PolarHBondContact O-N 3.25Å; V140-K142 HydrophobicContact CG1-CG 4.36Å
143I96.4Very high84.2Confident0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-72.5134.9174.8-56.8171.1000109.2Y63 V65 G114 V115 M118 H125 L128 L133 F146Y63-I143 PolarHBondContact O-N 3.23Å; V65-I143 PolarHBondContact N-O 2.9Å; G114-I143 VanDerWaalsContact C-CD1 3.48Å; V115-I143 HydrophobicContact CG2-CD1 3.68Å; M118-I143 HydrophobicContact SD-CB 4.43Å; M118-I143 HydrophobicContact SD-CD1 3.77Å; M118-I143 HydrophobicContact SD-CG2 3.98Å; H125-I143 VanDerWaalsContact CD2-CG2 3.42Å; H125-I143 WeakPolarHBondContact CD2-CG2 3.48Å; L128-I143 HydrophobicContact CD2-CD1 4.41Å; L128-I143 HydrophobicContact CD2-CG2 3.91Å; L133-I143 HydrophobicContact CD2-CB 4.42Å; L133-I143 HydrophobicContact CD2-CG1 3.81Å; I143-F146 HydrophobicContact CG2-CE2 4.12Å; I143-F146 HydrophobicContact CG2-CZ 4.11Å
144A92.4Very high82.1Confident8 Ų844.8 Ų44.87%0.06624%0.24CC..  trans-137.8173.5-179.500000112.2V65 H125 N132 L134V65-A144 HydrophobicContact CB-CB 4.14Å; V65-A144 HydrophobicContact CG1-CB 3.87Å; H125-A144 PolarHBondContact CE1-O 3.38Å; H125-A144 PolarHBondContact NE2-O 2.85Å; N132-A144 PolarHBondContact O-N 3.22Å; L134-A144 HydrophobicContact CD1-CB 3.46Å; L134-A144 VanDerWaalsContact CD1-CB 3.46Å; L134-A144 HydrophobicContact CG-CB 3.61Å
145D85.9Confident79.9Confident49 Ų4947.8 Ų47.826%0.26226%0.257SS..  trans63.270-179.6-157.115.9000115.4K33 H125 G147K33-D145 IonicContact NZ-OD1 2.64Å; K33-D145 PolarHBondContact NZ-OD1 3.47Å; K33-D145 VanDerWaalsContact NZ-OD1 3.11Å; H125-D145 PolarHBondContact CE1-O 2.96Å; H125-D145 PolarHBondContact NE2-O 2.63Å; D145-G147 PolarHBondContact O-N 3.38Å
146F81.4Confident77.6Confident0 Ų054.9 Ų54.90%030%0.295CS..G310 helixtrans-83.318.3179.5-70.6-115000112.5E51 A54 L55 I58 V64 M118 I123 I143 L148 A149E51-F146 HydrophobicContact CB-CB 4.41Å; E51-F146 HydrophobicContact CG-CB 4.1Å; A54-F146 HydrophobicContact CB-CD1 4.09Å; L55-F146 HydrophobicContact CD2-CD2 3.74Å; L55-F146 HydrophobicContact CD2-CE2 3.82Å; L55-F146 HydrophobicContact CD2-CG 4.26Å; L55-F146 HydrophobicContact CD2-CZ 4.36Å; L55-F146 HydrophobicContact CG-CD2 4.25Å; L55-F146 HydrophobicContact CG-CG 4.35Å; I58-F146 HydrophobicContact CD1-CE1 3.82Å; I58-F146 HydrophobicContact CD1-CZ 4.24Å; V64-F146 HydrophobicContact CG1-CE1 4.42Å; V64-F146 HydrophobicContact CG1-CE2 3.8Å; V64-F146 HydrophobicContact CG1-CZ 3.46Å; V64-F146 VanDerWaalsContact CG1-CZ 3.46Å; V64-F146 HydrophobicContact CG2-CZ 4.38Å; M118-F146 HydrophobicContact CE-CD1 4.06Å; M118-F146 HydrophobicContact CE-CE1 3.28Å; M118-F146 HydrophobicContact CE-CZ 3.85Å; M118-F146 HydrophobicContact CG-CE1 4.2Å; M118-F146 HydrophobicContact CG-CZ 4.34Å; M118-F146 HydrophobicContact SD-CE1 3.76Å; M118-F146 HydrophobicContact SD-CZ 3.72Å; I123-F146 HydrophobicContact CG2-CD1 4.18Å; I123-F146 HydrophobicContact CG2-CE1 4.15Å; I143-F146 HydrophobicContact CG2-CE2 4.12Å; I143-F146 HydrophobicContact CG2-CZ 4.11Å; F146-L148 PolarHBondContact O-N 3Å; F146-L148 VanDerWaalsContact O-N 3.13Å; F146-A149 HydrophobicContact CB-CB 3.78Å; F146-A149 HydrophobicContact CD1-CB 3.87Å; F146-A149 HydrophobicContact CG-CB 4.27Å; F146-A149 WeakPolarHBondContact O-CB 3.11Å; F146-A149 PolarHBondContact O-N 3.19Å
147G71.6Confident75.4Confident2 Ų262.9 Ų62.92%0.02133%0.331CS..G310 helixtrans-59.5-26.2-177.700000114D145D145-G147 PolarHBondContact O-N 3.38Å
148L70.1Confident73.4Confident88 Ų8866 Ų6646%0.46133%0.326SS..G310 helixtrans-1033.4175.5-63179.7000113.5R126 D127 F146R126-L148 WeakPolarHBondContact CD-O 3.41Å; D127-L148 HydrophobicContact CB-CB 4.38Å; D127-L148 HydrophobicContact CB-CD1 3.93Å; F146-L148 PolarHBondContact O-N 3Å; F146-L148 VanDerWaalsContact O-N 3.13Å
149A69.2Low71.4Confident2 Ų265 Ų652%0.01732%0.324CS..  trans-65.5151.4-177.100000112I123 M124 F146I123-A149 HydrophobicContact CG2-CB 4.42Å; M124-A149 WeakPolarHBondContact O-CA 3.26Å; M124-A149 WeakPolarHBondContact O-CB 3.39Å; F146-A149 HydrophobicContact CB-CB 3.78Å; F146-A149 HydrophobicContact CD1-CB 3.87Å; F146-A149 HydrophobicContact CG-CB 4.27Å; F146-A149 WeakPolarHBondContact O-CB 3.11Å; F146-A149 PolarHBondContact O-N 3.19Å
150R67.8Low69.3Low107 Ų10771 Ų7140%0.40435%0.345SS..EExtended strand (participates in β ladder)trans-132.8140.5173.6-67.9-154.4-178.6-145.34.7111M124M124-R150 PolarHBondContact N-O 2.85Å; M124-R150 PolarHBondContact O-N 2.87Å
151V64.7Low67.5Low89 Ų8970.6 Ų70.654%0.53934%0.344SS..EExtended strand (participates in β ladder)trans-79.8133.2165.7-174.30000107.5G122G122-V151 CarbonylContact O-C 3.54Å; G122-V151 VanDerWaalsContact O-CA 3.29Å; G122-V151 WeakPolarHBondContact O-CA 3.06Å
152F66.7Low65.9Low18 Ų1873.3 Ų73.38%0.07936%0.356CS..  trans-123.7142.4172.663.6-92.3000109.2G122 M124 H162G122-F152 VanDerWaalsContact C-CD1 3.46Å; G122-F152 VanDerWaalsContact CA-CZ 3.49Å; G122-F152 WeakPolarHBondContact O-CD1 3.43Å; G122-F152 WeakPolarHBondContact O-CE1 3.49Å; G122-F152 PolarHBondContact O-N 3.38Å; M124-F152 HydrophobicContact CB-CD1 4.1Å; M124-F152 HydrophobicContact CB-CE1 4.17Å; M124-F152 HydrophobicContact CE-CD1 4.03Å; M124-F152 HydrophobicContact CE-CE1 3.88Å; F152-H162 AromaticContact CE2-CE1 3.51Å; F152-H162 AromaticContact CE2-NE2 3.96Å; F152-H162 AromaticContact CZ-CE1 3.3Å; F152-H162 WeakPolarHBondContact CZ-CE1 3.46Å
153E52.5Low64.5Low107 Ų10772.9 Ų72.950%0.536%0.355SS..  trans-78.7145169-68.5179.5165.700109.5N155E153-N155 PolarHBondContact O-N 3.16Å
154N52.8Low63.5Low131 Ų13176.8 Ų76.870%0.70138%0.378SS*.  trans-68.234.6174.8-94.3-6.2000113.3N156N154-N156 PolarHBondContact O-N 3.35Å
155N48.7Very low63Low109 Ų10976.6 Ų76.658%0.58338%0.377SS*.  trans-81.3115.1168.3-75.8-22.4000107.5E153 E157E153-N155 PolarHBondContact O-N 3.16Å; N155-E157 PolarHBondContact O-N 2.83Å
156N49.3Very low63.3Low153 Ų15374.4 Ų74.482%0.81837%0.365SS*.THydrogen-bonded Turntrans-47.81.5-175.4-83.8-22.2000117.1N154N154-N156 PolarHBondContact O-N 3.35Å
157E46.3Very low63.9Low181 Ų18177.2 Ų77.285%0.84638%0.376SS*.THydrogen-bonded Turntrans-87.8-9-175.8-63-173.4161.800114N155N155-E157 PolarHBondContact O-N 2.83Å
158R49.6Very low65Low142 Ų14278.3 Ų78.354%0.53639%0.385SS..  trans-110.238.8-178.5-70-170.1178.9174.54.4114.8Y160 S161R158-Y160 PolarHBondContact O-N 3.34Å; R158-S161 WeakPolarHBondContact O-CB 3.31Å; R158-S161 PolarHBondContact O-N 2.8Å; R158-S161 PolarHBondContact O-OG 3Å
159L50Low66.3Low112 Ų11274.1 Ų74.159%0.58636%0.363SS*.Hα-helixtrans-46.6-35.7171.3-81.4156.8000113.1S161 Q163L159-S161 PolarHBondContact O-N 2.91Å; L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.33Å; L159-Q163 PolarHBondContact O-NE2 3.15Å; L159-Q163 PolarHBondContact O-OE1 2.98Å
160Y49.7Very low67.6Low135 Ų13574 Ų7453%0.52936%0.362SS..Hα-helixtrans-52.2-29.1177-86.6-83.1000114.7R158 Q163 V164 P252R158-Y160 PolarHBondContact O-N 3.34Å; Y160-Q163 VanDerWaalsContact CA-OE1 3.3Å; Y160-V164 PolarHBondContact O-N 3.25Å; Y160-P252 HydrophobicContact CD1-CB 4.22Å; Y160-P252 HydrophobicContact CD1-CG 4.26Å; Y160-P252 HydrophobicContact CE1-CB 4.3Å; Y160-P252 HydrophobicContact CE1-CG 4.04Å
161S57.8Low69Low21 Ų2170.6 Ų70.615%0.14735%0.354CS..Hα-helixtrans-75.8-49.7-167.568.90000111.5M124 R158 L159 Q163 V164M124-S161 WeakPolarHBondContact CE-O 3.22Å; M124-S161 WeakPolarHBondContact CE-OG 3.17Å; M124-S161 WeakPolarHBondContact SD-CB 3.27Å; R158-S161 WeakPolarHBondContact O-CB 3.31Å; R158-S161 PolarHBondContact O-N 2.8Å; R158-S161 PolarHBondContact O-OG 3Å; L159-S161 PolarHBondContact O-N 2.91Å; S161-Q163 PolarHBondContact O-N 2.81Å; S161-Q163 VanDerWaalsContact O-N 3.15Å; S161-V164 WeakPolarHBondContact O-CB 3.38Å; S161-V164 PolarHBondContact O-N 3.43Å; S161-V164 VanDerWaalsContact O-N 3.11Å
162H63.9Low70.6Confident57 Ų5766.5 Ų66.526%0.26433%0.329SS..Hα-helixtrans-61.6-28.8178.7-53.7-72.6000112.3H119 F152 V164 A165 T166H119-H162 AromaticContact CD2-ND1 3.94Å; H119-H162 AromaticContact CE1-ND1 3.72Å; H119-H162 AromaticContact CG-ND1 3.66Å; H119-H162 AromaticContact ND1-ND1 3.51Å; H119-H162 AromaticContact NE2-ND1 3.95Å; F152-H162 AromaticContact CE2-CE1 3.51Å; F152-H162 AromaticContact CE2-NE2 3.96Å; F152-H162 AromaticContact CZ-CE1 3.3Å; F152-H162 WeakPolarHBondContact CZ-CE1 3.46Å; H162-V164 VanDerWaalsContact C-N 3.3Å; H162-V164 PolarHBondContact O-N 2.78Å; H162-A165 WeakPolarHBondContact O-CB 3.19Å; H162-A165 PolarHBondContact O-N 3Å; H162-T166 WeakPolarHBondContact O-CG2 3.31Å; H162-T166 PolarHBondContact O-N 3.11Å
163Q68.6Low72.2Confident20 Ų2065.6 Ų65.69%0.09333%0.325CS..Hα-helixtrans-74.6-21.3-177.2-59.4160.7-5.600112.3L159 Y160 S161 T166 R167 P252 H253 R255L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.33Å; L159-Q163 PolarHBondContact O-NE2 3.15Å; L159-Q163 PolarHBondContact O-OE1 2.98Å; Y160-Q163 VanDerWaalsContact CA-OE1 3.3Å; S161-Q163 PolarHBondContact O-N 2.81Å; S161-Q163 VanDerWaalsContact O-N 3.15Å; Q163-T166 PolarHBondContact O-OG1 3Å; Q163-R167 PolarHBondContact O-N 3.06Å; Q163-P252 HydrophobicContact CB-CB 3.73Å; Q163-P252 WeakPolarHBondContact CB-O 3.4Å; Q163-P252 HydrophobicContact CG-CB 4.27Å; Q163-P252 WeakPolarHBondContact CG-O 3.5Å; Q163-P252 PolarHBondContact OE1-O 2.96Å; Q163-H253 VanDerWaalsContact NE2-CA 3.26Å; Q163-R255 PolarHBondContact O-NH1 2.93Å
164V74.9Confident74.3Confident81 Ų8160.5 Ų60.549%0.49130%0.301SS..Hα-helixtrans-69.3-44.2168.91760000109.9Y160 S161 H162 T166 R167 A168Y160-V164 PolarHBondContact O-N 3.25Å; S161-V164 WeakPolarHBondContact O-CB 3.38Å; S161-V164 PolarHBondContact O-N 3.43Å; S161-V164 VanDerWaalsContact O-N 3.11Å; H162-V164 VanDerWaalsContact C-N 3.3Å; H162-V164 PolarHBondContact O-N 2.78Å; V164-T166 PolarHBondContact O-N 3.23Å; V164-R167 PolarHBondContact O-N 3.38Å; V164-A168 PolarHBondContact O-N 2.73Å
165A82Confident76.4Confident5 Ų555.6 Ų55.64%0.04127%0.274CS..Hα-helixtrans-62.3-43.7179.600000111.6V115 L128 H162 R167 A168 I169V115-A165 HydrophobicContact CG1-CB 4.43Å; L128-A165 HydrophobicContact CD1-CB 4.29Å; H162-A165 WeakPolarHBondContact O-CB 3.19Å; H162-A165 PolarHBondContact O-N 3Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.34Å; A165-A168 PolarHBondContact O-N 2.61Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 3.07Å
166T91.7Very high78.8Confident3 Ų350.5 Ų50.52%0.01825%0.247CC..Hα-helixtrans-66.6-32.9-177.160.40000113H162 Q163 V164 I169 G170 F247 I256 V258H162-T166 WeakPolarHBondContact O-CG2 3.31Å; H162-T166 PolarHBondContact O-N 3.11Å; Q163-T166 PolarHBondContact O-OG1 3Å; V164-T166 PolarHBondContact O-N 3.23Å; T166-I169 PolarHBondContact O-N 3.09Å; T166-G170 PolarHBondContact O-N 2.84Å; T166-F247 HydrophobicContact CG2-CE1 4.44Å; T166-F247 WeakPolarHBondContact O-CD1 3.47Å; T166-I256 WeakPolarHBondContact CB-O 3.49Å; T166-I256 WeakPolarHBondContact CG2-O 3.26Å; T166-V258 HydrophobicContact CG2-CG2 4.04Å
167R94.2Very high81.1Confident58 Ų5844.8 Ų44.822%0.21922%0.216CC..Hα-helixtrans-64.1-45.1171.9-171.7176.9-171.3150.210.6112.3Q163 V164 A165 I169 G170 C171 L248Q163-R167 PolarHBondContact O-N 3.06Å; V164-R167 PolarHBondContact O-N 3.38Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.34Å; R167-I169 VanDerWaalsContact C-N 3.28Å; R167-I169 PolarHBondContact O-N 3.43Å; R167-G170 PolarHBondContact O-N 3.16Å; R167-G170 VanDerWaalsContact O-N 3.12Å; R167-C171 PolarHBondContact O-N 3Å; R167-C171 PolarHBondContact O-SG 3.32Å; R167-C171 VanDerWaalsContact O-SG 3.41Å; R167-L248 HydrophobicContact CG-CD2 4.16Å
168A94.5Very high83.4Confident25 Ų2539 Ų3921%0.20719%0.191CC..Hα-helixtrans-60.4-41.217700000111.2L128 V164 A165 G170 C171 I172L128-A168 HydrophobicContact CB-CB 3.92Å; V164-A168 PolarHBondContact O-N 2.73Å; A165-A168 PolarHBondContact O-N 2.61Å; A168-G170 VanDerWaalsContact C-N 3.34Å; A168-G170 PolarHBondContact O-N 3.5Å; A168-C171 PolarHBondContact O-N 2.92Å; A168-I172 WeakPolarHBondContact O-CD1 3.45Å; A168-I172 VanDerWaalsContact O-CG1 3.3Å; A168-I172 WeakPolarHBondContact O-CG1 3.2Å; A168-I172 PolarHBondContact O-N 3.36Å
169I97.5Very high85.6Confident0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-59.3-43.3173.4-65.8167.6000111.1M108 I111 L112 V115 L128 A165 T166 R167 C171 I172 F173 F247 V258M108-I169 HydrophobicContact CE-CG2 3.59Å; I111-I169 HydrophobicContact CG2-CG1 4.17Å; L112-I169 HydrophobicContact CD2-CD1 4.19Å; L112-I169 HydrophobicContact CD2-CG2 4.12Å; V115-I169 HydrophobicContact CB-CD1 4.34Å; V115-I169 HydrophobicContact CG1-CD1 4.27Å; V115-I169 HydrophobicContact CG2-CD1 4.04Å; L128-I169 HydrophobicContact CD1-CD1 4.45Å; L128-I169 HydrophobicContact CD1-CG1 4.09Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 3.07Å; T166-I169 PolarHBondContact O-N 3.09Å; R167-I169 VanDerWaalsContact C-N 3.28Å; R167-I169 PolarHBondContact O-N 3.43Å; I169-C171 PolarHBondContact O-N 3.26Å; I169-I172 PolarHBondContact O-N 3.14Å; I169-F173 WeakPolarHBondContact O-CB 3.4Å; I169-F173 PolarHBondContact O-N 3.4Å; I169-F247 HydrophobicContact CB-CD1 4.47Å; I169-F247 HydrophobicContact CB-CE1 4.21Å; I169-F247 HydrophobicContact CG2-CD1 4.36Å; I169-F247 HydrophobicContact CG2-CE1 3.81Å; I169-F247 HydrophobicContact CG2-CE2 4.17Å; I169-F247 HydrophobicContact CG2-CZ 3.7Å; I169-V258 HydrophobicContact CD1-CG2 4.15Å
170G97.6Very high87.7Confident0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-59.8-42174.800000113.6T166 R167 A168 F173 G174 F247T166-G170 PolarHBondContact O-N 2.84Å; R167-G170 PolarHBondContact O-N 3.16Å; R167-G170 VanDerWaalsContact O-N 3.12Å; A168-G170 VanDerWaalsContact C-N 3.34Å; A168-G170 PolarHBondContact O-N 3.5Å; G170-F173 PolarHBondContact O-N 2.92Å; G170-G174 PolarHBondContact O-N 3.3Å; G170-F247 VanDerWaalsContact CA-CB 3.45Å
171C97.3Very high89.9Confident35 Ų3528 Ų2824%0.23616%0.163CC..Hα-helixtrans-64-45.5175.2-62.70000111.7R167 A168 I169 F173 G174 E175R167-C171 PolarHBondContact O-N 3Å; R167-C171 PolarHBondContact O-SG 3.32Å; R167-C171 VanDerWaalsContact O-SG 3.41Å; A168-C171 PolarHBondContact O-N 2.92Å; I169-C171 PolarHBondContact O-N 3.26Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 PolarHBondContact O-N 3.38Å; C171-G174 PolarHBondContact O-N 2.69Å; C171-E175 WeakPolarHBondContact O-CB 3.43Å; C171-E175 PolarHBondContact O-N 3.48Å
172I98.1Very high91.6Very high3 Ų327.7 Ų27.72%0.01516%0.16CC..Hα-helixtrans-61.1-42176.7-67.3157.9000110.3L88 I111 L128 P130 L133 A168 I169 E175 L176L88-I172 HydrophobicContact CD2-CG2 4.02Å; I111-I172 HydrophobicContact CD1-CG2 3.88Å; L128-I172 HydrophobicContact CB-CD1 4.14Å; P130-I172 HydrophobicContact CG-CG1 4.23Å; L133-I172 HydrophobicContact CD1-CD1 4.12Å; L133-I172 HydrophobicContact CD1-CG2 4.1Å; A168-I172 WeakPolarHBondContact O-CD1 3.45Å; A168-I172 VanDerWaalsContact O-CG1 3.3Å; A168-I172 WeakPolarHBondContact O-CG1 3.2Å; A168-I172 PolarHBondContact O-N 3.36Å; I169-I172 PolarHBondContact O-N 3.14Å; I172-E175 PolarHBondContact O-N 3.06Å; I172-L176 HydrophobicContact CG2-CD1 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.22Å; I172-L176 PolarHBondContact O-N 2.88Å
173F98.5Very high93.1Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-65-45179.4-172.2-156.3000111.8M108 I169 G170 C171 E175 L176 L177 A240 L243 V244 Y266M108-F173 HydrophobicContact CE-CB 3.65Å; M108-F173 HydrophobicContact CE-CD1 4Å; M108-F173 HydrophobicContact CE-CD2 4.19Å; M108-F173 HydrophobicContact CE-CG 3.67Å; M108-F173 HydrophobicContact CG-CB 4.38Å; M108-F173 HydrophobicContact CG-CD2 3.42Å; M108-F173 VanDerWaalsContact CG-CD2 3.42Å; M108-F173 HydrophobicContact CG-CE2 3.89Å; M108-F173 HydrophobicContact CG-CG 3.93Å; M108-F173 HydrophobicContact SD-CB 3.5Å; M108-F173 WeakPolarHBondContact SD-CB 3.38Å; M108-F173 HydrophobicContact SD-CD2 3.75Å; M108-F173 HydrophobicContact SD-CG 3.68Å; I169-F173 WeakPolarHBondContact O-CB 3.4Å; I169-F173 PolarHBondContact O-N 3.4Å; G170-F173 PolarHBondContact O-N 2.92Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 PolarHBondContact O-N 3.38Å; F173-E175 VanDerWaalsContact C-N 3.29Å; F173-E175 PolarHBondContact O-N 3.32Å; F173-L176 WeakPolarHBondContact O-CB 3.36Å; F173-L176 PolarHBondContact O-N 3.42Å; F173-L177 HydrophobicContact CD2-CD1 4.01Å; F173-L177 HydrophobicContact CD2-CG 4.05Å; F173-L177 HydrophobicContact CE1-CD1 4.32Å; F173-L177 HydrophobicContact CE2-CD1 3.64Å; F173-L177 HydrophobicContact CE2-CD2 3.88Å; F173-L177 HydrophobicContact CE2-CG 3.74Å; F173-L177 HydrophobicContact CG-CD1 4.48Å; F173-L177 HydrophobicContact CZ-CD1 3.79Å; F173-L177 HydrophobicContact CZ-CD2 4.43Å; F173-L177 HydrophobicContact CZ-CG 4.36Å; F173-L177 WeakPolarHBondContact O-CG 3.47Å; F173-L177 PolarHBondContact O-N 2.91Å; F173-L177 VanDerWaalsContact O-N 3.12Å; F173-A240 HydrophobicContact CZ-CB 4.1Å; F173-L243 HydrophobicContact CD1-CD2 4.38Å; F173-L243 HydrophobicContact CD1-CG 4.29Å; F173-L243 HydrophobicContact CE1-CB 3.96Å; F173-L243 HydrophobicContact CE1-CD2 3.77Å; F173-L243 HydrophobicContact CE1-CG 3.84Å; F173-L243 HydrophobicContact CZ-CD2 4.44Å; F173-V244 HydrophobicContact CB-CG2 4.41Å; F173-V244 HydrophobicContact CD1-CB 4.44Å; F173-V244 HydrophobicContact CD1-CG2 3.31Å; F173-V244 HydrophobicContact CE1-CG2 3.55Å; F173-V244 HydrophobicContact CG-CG2 3.95Å; F173-V244 HydrophobicContact CZ-CG2 4.36Å; F173-Y266 HydrophobicContact CE1-CD1 4.46Å; F173-Y266 HydrophobicContact CE1-CE1 4.16Å; F173-Y266 AromaticContact CE2-CE1 3.7Å; F173-Y266 HydrophobicContact CE2-CE1 3.7Å; F173-Y266 AromaticContact CE2-CZ 3.61Å; F173-Y266 VanDerWaalsContact CE2-OH 3.29Å; F173-Y266 WeakPolarHBondContact CE2-OH 3.42Å; F173-Y266 AromaticContact CZ-CD1 3.94Å; F173-Y266 HydrophobicContact CZ-CD1 3.94Å; F173-Y266 HydrophobicContact CZ-CD2 4.43Å; F173-Y266 AromaticContact CZ-CE1 3.28Å; F173-Y266 HydrophobicContact CZ-CE1 3.28Å; F173-Y266 AromaticContact CZ-CE2 3.88Å; F173-Y266 HydrophobicContact CZ-CE2 3.88Å; F173-Y266 HydrophobicContact CZ-CG 4.46Å; F173-Y266 AromaticContact CZ-CZ 3.27Å; F173-Y266 WeakPolarHBondContact CZ-OH 3.46Å
174G97.8Very high94.3Very high0 Ų027.7 Ų27.70%017%0.166CC..Hα-helixtrans-60.3-38.617300000113.1G170 C171 L177 N178G170-G174 PolarHBondContact O-N 3.3Å; C171-G174 PolarHBondContact O-N 2.69Å; G174-L177 PolarHBondContact O-N 3.08Å; G174-N178 WeakPolarHBondContact O-CB 3.41Å; G174-N178 PolarHBondContact O-N 3.23Å
175E97.6Very high95.1Very high28 Ų2824.9 Ų24.913%0.13115%0.153CC..Hα-helixtrans-67.2-37.1176.4-172.9174.3167.500112.7I92 P130 C171 I172 F173 L177 S179 P181I92-E175 HydrophobicContact CD1-CG 4.08Å; I92-E175 HydrophobicContact CG2-CG 4.25Å; P130-E175 WeakPolarHBondContact CG-OE2 3.39Å; C171-E175 WeakPolarHBondContact O-CB 3.43Å; C171-E175 PolarHBondContact O-N 3.48Å; I172-E175 PolarHBondContact O-N 3.06Å; F173-E175 VanDerWaalsContact C-N 3.29Å; F173-E175 PolarHBondContact O-N 3.32Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.33Å; E175-S179 VanDerWaalsContact O-CA 3.3Å; E175-S179 WeakPolarHBondContact O-CA 3.49Å; E175-S179 PolarHBondContact O-N 3.25Å; E175-P181 HydrophobicContact CG-CG 4.47Å
176L98Very high95.5Very high1 Ų133.1 Ų33.11%0.00519%0.191CC..Hα-helixtrans-59.2-43.6171.8-77.9168.5000111.9L88 I92 L99 Y107 M108 I172 F173L88-L176 HydrophobicContact CD1-CD2 4.03Å; L88-L176 HydrophobicContact CD2-CD2 4.14Å; L88-L176 HydrophobicContact CD2-CG 4.47Å; L88-L176 HydrophobicContact CG-CD2 4.3Å; I92-L176 HydrophobicContact CD1-CD2 3.83Å; I92-L176 HydrophobicContact CD1-CG 4.17Å; I92-L176 HydrophobicContact CG1-CD2 3.91Å; L99-L176 HydrophobicContact CD1-CD2 3.59Å; Y107-L176 HydrophobicContact CD2-CD2 4.17Å; M108-L176 HydrophobicContact CG-CD1 3.9Å; M108-L176 HydrophobicContact SD-CD1 3.97Å; I172-L176 HydrophobicContact CG2-CD1 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.22Å; I172-L176 PolarHBondContact O-N 2.88Å; F173-L176 WeakPolarHBondContact O-CB 3.36Å; F173-L176 PolarHBondContact O-N 3.42Å
177L97.5Very high95.5Very high33 Ų3336.5 Ų36.517%0.17321%0.209CC..Hα-helixtrans-75-36.3-178.4-64.1169.9000112.7E101 F173 G174 E175 L233 A236 A240 V244E101-L177 HydrophobicContact CG-CD2 4.43Å; F173-L177 HydrophobicContact CD2-CD1 4.01Å; F173-L177 HydrophobicContact CD2-CG 4.05Å; F173-L177 HydrophobicContact CE1-CD1 4.32Å; F173-L177 HydrophobicContact CE2-CD1 3.64Å; F173-L177 HydrophobicContact CE2-CD2 3.88Å; F173-L177 HydrophobicContact CE2-CG 3.74Å; F173-L177 HydrophobicContact CG-CD1 4.48Å; F173-L177 HydrophobicContact CZ-CD1 3.79Å; F173-L177 HydrophobicContact CZ-CD2 4.43Å; F173-L177 HydrophobicContact CZ-CG 4.36Å; F173-L177 WeakPolarHBondContact O-CG 3.47Å; F173-L177 PolarHBondContact O-N 2.91Å; F173-L177 VanDerWaalsContact O-N 3.12Å; G174-L177 PolarHBondContact O-N 3.08Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.33Å; L177-L233 HydrophobicContact CB-CD2 4.02Å; L177-L233 HydrophobicContact CD1-CD1 4.01Å; L177-A236 HydrophobicContact CB-CB 4.49Å; L177-A236 HydrophobicContact CD1-CB 4.13Å; L177-A236 HydrophobicContact CD2-CB 4.39Å; L177-A240 HydrophobicContact CD1-CB 3.93Å; L177-A240 HydrophobicContact CD2-CB 4.22Å; L177-V244 HydrophobicContact CD1-CG2 3.86Å
178N95.8Very high95.2Very high60 Ų6040.8 Ų40.832%0.32124%0.236SC..Hα-helixtrans-97.6-4.8-172.7-169.248.1000113.7G174 S180 L233G174-N178 WeakPolarHBondContact O-CB 3.41Å; G174-N178 PolarHBondContact O-N 3.23Å; N178-S180 PolarHBondContact ND2-O 3.37Å; N178-S180 PolarHBondContact ND2-OG 2.96Å; N178-S180 PolarHBondContact O-N 3.44Å; N178-S180 PolarHBondContact O-OG 3.48Å; N178-L233 HydrophobicContact CB-CD2 3.78Å
179S95.2Very high95Very high45 Ų4543.8 Ų43.832%0.31525%0.248SC..SBendtrans56.97.2-170.2-50.30000115.5P98 E175P98-S179 WeakPolarHBondContact CB-OG 3.2Å; E175-S179 VanDerWaalsContact O-CA 3.3Å; E175-S179 WeakPolarHBondContact O-CA 3.49Å; E175-S179 PolarHBondContact O-N 3.25Å
180S94.6Very high94.7Very high53 Ų5347.2 Ų47.237%0.37126%0.264SS..SBendtrans-154.5151-17962.10000111.1N178 L182N178-S180 PolarHBondContact ND2-O 3.37Å; N178-S180 PolarHBondContact ND2-OG 2.96Å; N178-S180 PolarHBondContact O-N 3.44Å; N178-S180 PolarHBondContact O-OG 3.48Å; S180-L182 PolarHBondContact O-N 3.46Å
181P95.7Very high94.4Very high59 Ų5950.6 Ų50.638%0.38328%0.279SS..  trans-58.6134.7-173.6-23.732.3000112.5E175 F183 P184E175-P181 HydrophobicContact CG-CG 4.47Å; P181-F183 VanDerWaalsContact C-N 3.27Å; P181-F183 PolarHBondContact O-N 3.12Å; P181-P184 HydrophobicContact CB-CB 4.3Å
182L93.6Very high94.1Very high16 Ų1652.8 Ų52.88%0.08429%0.289CS..SBendtrans-63.3-33.6176.4-75.7-172.9000113.2S180 V232 L233 V244 L248S180-L182 PolarHBondContact O-N 3.46Å; L182-V232 HydrophobicContact CD2-CG1 3.73Å; L182-L233 HydrophobicContact CD2-CD2 3.95Å; L182-L233 HydrophobicContact CD2-CG 4.4Å; L182-V244 HydrophobicContact CD1-CG1 4.35Å; L182-L248 HydrophobicContact CD1-CD1 3.7Å
183F95.1Very high93.7Very high11 Ų1157.1 Ų57.15%0.04831%0.305CS..SBendtrans-13176.5-175.5-48.6-57000109.9P181 G185 Q191 F194 V195 V198 L248P181-F183 VanDerWaalsContact C-N 3.27Å; P181-F183 PolarHBondContact O-N 3.12Å; F183-G185 VanDerWaalsContact C-N 3.29Å; F183-G185 PolarHBondContact O-N 3.43Å; F183-Q191 PolarHBondContact O-NE2 2.78Å; F183-Q191 PolarHBondContact O-OE1 3.41Å; F183-Q191 VanDerWaalsContact O-OE1 3.11Å; F183-F194 HydrophobicContact CB-CB 3.99Å; F183-F194 HydrophobicContact CD1-CB 4.28Å; F183-V195 HydrophobicContact CB-CG2 4.43Å; F183-V195 HydrophobicContact CD1-CG2 4.25Å; F183-V195 HydrophobicContact CD2-CG2 4.14Å; F183-V195 HydrophobicContact CE2-CG2 4.48Å; F183-V195 HydrophobicContact CG-CG2 4.01Å; F183-V198 HydrophobicContact CD1-CG2 4.34Å; F183-V198 HydrophobicContact CE1-CB 3.79Å; F183-V198 HydrophobicContact CE1-CG1 4.06Å; F183-V198 HydrophobicContact CE1-CG2 3.89Å; F183-L248 HydrophobicContact CE2-CD1 3.94Å; F183-L248 HydrophobicContact CE2-CD2 4.02Å; F183-L248 HydrophobicContact CZ-CD1 3.91Å
184P94.3Very high93.5Very high65 Ų6559 Ų5942%0.42231%0.313SS..  trans-83.563.2-171.834.7-36.4000112.3P181 F194P181-P184 HydrophobicContact CB-CB 4.3Å; P184-F194 HydrophobicContact CG-CD1 4.32Å; P184-F194 HydrophobicContact CG-CD2 4.5Å; P184-F194 HydrophobicContact CG-CE1 3.87Å; P184-F194 HydrophobicContact CG-CE2 4.1Å; P184-F194 HydrophobicContact CG-CZ 3.76Å; P184-F194 WeakPolarHBondContact O-CE2 3.39Å
185G90.9Very high93.3Very high22 Ų2259.4 Ų59.423%0.22732%0.316CS..  trans-80136.5175.800000112.6F183F183-G185 VanDerWaalsContact C-N 3.29Å; F183-G185 PolarHBondContact O-N 3.43Å
186E90.2Very high93.1Very high178 Ų17858.4 Ų58.483%0.83231%0.311SS*.SBendtrans-87.7-13.9176.3-58.7-170.7167.600113E190E186-E190 WeakPolarHBondContact CB-OE2 3.44Å; E186-E190 PolarHBondContact N-OE2 3.23Å
187N91.5Very high92.9Very high74 Ų7464 Ų6440%0.39633%0.332SS..SBendtrans-149.4170.4177.158.671.3000110.7I189 E190 Q191N187-I189 PolarHBondContact O-N 3.39Å; N187-I189 PolarHBondContact OD1-N 2.84Å; N187-E190 PolarHBondContact ND2-OE1 2.84Å; N187-E190 PolarHBondContact O-N 2.79Å; N187-E190 PolarHBondContact OD1-N 2.91Å; N187-Q191 WeakPolarHBondContact O-CB 3.26Å; N187-Q191 PolarHBondContact O-N 2.84Å
188D88.4Confident92.7Very high148 Ų14863.1 Ų63.179%0.79133%0.328SS*.Hα-helixtrans-58-35.5-174.2-59.6-36000113.3L192D188-L192 WeakPolarHBondContact O-CB 3.35Å; D188-L192 PolarHBondContact O-N 3.02Å
189I89.4Confident92.7Very high88 Ų8860.8 Ų60.845%0.45132%0.316SS..Hα-helixtrans-72.8-45.2-179-56.8-175.2000110.3N187 L192 W193 I219 F221N187-I189 PolarHBondContact O-N 3.39Å; N187-I189 PolarHBondContact OD1-N 2.84Å; I189-L192 PolarHBondContact O-N 2.95Å; I189-W193 PolarHBondContact O-N 3.12Å; I189-I219 HydrophobicContact CD1-CD1 3.94Å; I189-I219 HydrophobicContact CG1-CD1 3.87Å; I189-I219 HydrophobicContact CG2-CG2 4.5Å; I189-F221 HydrophobicContact CG2-CE1 4.05Å; I189-F221 HydrophobicContact CG2-CZ 4.15Å
190E91.6Very high92.6Very high72 Ų7258.7 Ų58.734%0.33630%0.301SS..Hα-helixtrans-64.5-41.5175.1-75.8176.1-154.800112.1E186 N187 L192 W193 F194E186-E190 WeakPolarHBondContact CB-OE2 3.44Å; E186-E190 PolarHBondContact N-OE2 3.23Å; N187-E190 PolarHBondContact ND2-OE1 2.84Å; N187-E190 PolarHBondContact O-N 2.79Å; N187-E190 PolarHBondContact OD1-N 2.91Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 3.23Å; E190-W193 WeakPolarHBondContact O-CB 3.27Å; E190-W193 PolarHBondContact O-N 3.13Å; E190-W193 VanDerWaalsContact O-N 3.09Å; E190-F194 VanDerWaalsContact O-CD2 3.25Å; E190-F194 WeakPolarHBondContact O-CD2 3.42Å; E190-F194 PolarHBondContact O-N 3.43Å
191Q91.3Very high92.6Very high71 Ų7158 Ų5833%0.33230%0.295SS..Hα-helixtrans-58.2-45.2176.5-173.363.456.400110.8F183 N187 W193 F194 V195F183-Q191 PolarHBondContact O-NE2 2.78Å; F183-Q191 PolarHBondContact O-OE1 3.41Å; F183-Q191 VanDerWaalsContact O-OE1 3.11Å; N187-Q191 WeakPolarHBondContact O-CB 3.26Å; N187-Q191 PolarHBondContact O-N 2.84Å; Q191-W193 VanDerWaalsContact C-N 3.34Å; Q191-F194 PolarHBondContact O-N 2.92Å; Q191-V195 WeakPolarHBondContact O-CG2 3.4Å; Q191-V195 PolarHBondContact O-N 2.91Å
192L90.3Very high92.4Very high82 Ų8256.5 Ų56.543%0.42929%0.285SS..Hα-helixtrans-64.8-39.5175.3-172.963.3000111.6D188 I189 E190 V195 V196 F221D188-L192 WeakPolarHBondContact O-CB 3.35Å; D188-L192 PolarHBondContact O-N 3.02Å; I189-L192 PolarHBondContact O-N 2.95Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 3.23Å; L192-V195 WeakPolarHBondContact O-CB 3.32Å; L192-V195 PolarHBondContact O-N 3.09Å; L192-V196 WeakPolarHBondContact O-CB 3.08Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.04Å; L192-F221 HydrophobicContact CB-CE2 4.21Å; L192-F221 HydrophobicContact CB-CZ 4.15Å; L192-F221 HydrophobicContact CD2-CE2 3.62Å; L192-F221 HydrophobicContact CD2-CZ 4.02Å; L192-F221 HydrophobicContact CG-CE2 3.65Å; L192-F221 HydrophobicContact CG-CZ 4.08Å
193W91.5Very high92.3Very high94 Ų9458.7 Ų58.736%0.35630%0.297SS..Hα-helixtrans-61.6-46.8176.4176.177.3000112.6I189 E190 Q191 V195 V196 R197 F221I189-W193 PolarHBondContact O-N 3.12Å; E190-W193 WeakPolarHBondContact O-CB 3.27Å; E190-W193 PolarHBondContact O-N 3.13Å; E190-W193 VanDerWaalsContact O-N 3.09Å; Q191-W193 VanDerWaalsContact C-N 3.34Å; W193-V195 VanDerWaalsContact C-N 3.3Å; W193-V195 PolarHBondContact O-N 3Å; W193-V196 PolarHBondContact O-N 3.39Å; W193-R197 VanDerWaalsContact O-CB 3.26Å; W193-R197 WeakPolarHBondContact O-CB 3.31Å; W193-R197 PolarHBondContact O-N 3.3Å; W193-F221 HydrophobicContact CB-CD1 4.2Å; W193-F221 HydrophobicContact CB-CE1 3.79Å; W193-F221 HydrophobicContact CB-CZ 4.14Å; W193-F221 AromaticContact CD1-CD1 3.78Å; W193-F221 HydrophobicContact CG-CD1 4.4Å; W193-F221 HydrophobicContact CG-CE1 4.42Å
194F93.8Very high92.3Very high40 Ų4062.7 Ų62.718%0.17532%0.316CS..Hα-helixtrans-61.2-40.9177.8-83.1-71.4000112.2F183 P184 E190 Q191 R197 V198F183-F194 HydrophobicContact CB-CB 3.99Å; F183-F194 HydrophobicContact CD1-CB 4.28Å; P184-F194 HydrophobicContact CG-CD1 4.32Å; P184-F194 HydrophobicContact CG-CD2 4.5Å; P184-F194 HydrophobicContact CG-CE1 3.87Å; P184-F194 HydrophobicContact CG-CE2 4.1Å; P184-F194 HydrophobicContact CG-CZ 3.76Å; P184-F194 WeakPolarHBondContact O-CE2 3.39Å; E190-F194 VanDerWaalsContact O-CD2 3.25Å; E190-F194 WeakPolarHBondContact O-CD2 3.42Å; E190-F194 PolarHBondContact O-N 3.43Å; Q191-F194 PolarHBondContact O-N 2.92Å; F194-R197 PolarHBondContact O-N 3.11Å; F194-V198 PolarHBondContact O-N 2.79Å
195V93.9Very high92.2Very high8 Ų867.1 Ų67.15%0.04834%0.336CS..Hα-helixtrans-59.4-51.4173.8161.80000110.9F183 Q191 L192 W193 R197 V198 L199 Y250F183-V195 HydrophobicContact CB-CG2 4.43Å; F183-V195 HydrophobicContact CD1-CG2 4.25Å; F183-V195 HydrophobicContact CD2-CG2 4.14Å; F183-V195 HydrophobicContact CE2-CG2 4.48Å; F183-V195 HydrophobicContact CG-CG2 4.01Å; Q191-V195 WeakPolarHBondContact O-CG2 3.4Å; Q191-V195 PolarHBondContact O-N 2.91Å; L192-V195 WeakPolarHBondContact O-CB 3.32Å; L192-V195 PolarHBondContact O-N 3.09Å; W193-V195 VanDerWaalsContact C-N 3.3Å; W193-V195 PolarHBondContact O-N 3Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.26Å; V195-V198 PolarHBondContact O-N 2.64Å; V195-L199 HydrophobicContact CG1-CD1 3.99Å; V195-L199 WeakPolarHBondContact O-CB 3.41Å; V195-L199 PolarHBondContact O-N 3.4Å; V195-Y250 HydrophobicContact CG1-CE1 3.94Å
196V93Very high92.3Very high6 Ų669.2 Ų69.24%0.03634%0.341CS..Hα-helixtrans-64-36.7-179.2168.70000111.8L192 W193 V198 G200 F221 C224 Y250L192-V196 WeakPolarHBondContact O-CB 3.08Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.04Å; W193-V196 PolarHBondContact O-N 3.39Å; V196-V198 VanDerWaalsContact C-N 3.32Å; V196-V198 PolarHBondContact O-N 2.98Å; V196-G200 CarbonylContact O-C 3.55Å; V196-G200 WeakPolarHBondContact O-CA 3.39Å; V196-G200 PolarHBondContact O-N 3.2Å; V196-F221 HydrophobicContact CB-CD2 4.44Å; V196-F221 HydrophobicContact CG1-CD2 4.45Å; V196-F221 HydrophobicContact CG2-CD2 4.19Å; V196-F221 HydrophobicContact CG2-CE2 4.45Å; V196-C224 HydrophobicContact CG1-CB 4.33Å; V196-Y250 WeakPolarHBondContact CA-OH 3.38Å
197R92.9Very high92.5Very high119 Ų11962 Ų6245%0.44931%0.306SS..Hα-helixtrans-61.7-39.5178178.6179.7174.5-167.3-3.6112.3W193 F194 V195 I227W193-R197 VanDerWaalsContact O-CB 3.26Å; W193-R197 WeakPolarHBondContact O-CB 3.31Å; W193-R197 PolarHBondContact O-N 3.3Å; F194-R197 PolarHBondContact O-N 3.11Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.26Å; R197-I227 WeakPolarHBondContact O-CD1 3.28Å
198V93.7Very high92.6Very high14 Ų1461.7 Ų61.79%0.08531%0.308CS..Hα-helixtrans-86.6-51-178.51720000111.3F183 F194 V195 V196 G200 I227 F229 V232F183-V198 HydrophobicContact CD1-CG2 4.34Å; F183-V198 HydrophobicContact CE1-CB 3.79Å; F183-V198 HydrophobicContact CE1-CG1 4.06Å; F183-V198 HydrophobicContact CE1-CG2 3.89Å; F194-V198 PolarHBondContact O-N 2.79Å; V195-V198 PolarHBondContact O-N 2.64Å; V196-V198 VanDerWaalsContact C-N 3.32Å; V196-V198 PolarHBondContact O-N 2.98Å; V198-G200 PolarHBondContact O-N 3.19Å; V198-I227 PolarHBondContact O-N 3.2Å; V198-F229 HydrophobicContact CG1-CE1 4.19Å; V198-F229 HydrophobicContact CG1-CZ 4.41Å; V198-V232 HydrophobicContact CG1-CG2 3.88Å
199L95.4Very high92.8Very high12 Ų1257.4 Ų57.46%0.06328%0.284CS..Hα-helixtrans-78.7-8.9-175.3-57.8-174.1000113.1V195 T226 F229 L248 Y250V195-L199 HydrophobicContact CG1-CD1 3.99Å; V195-L199 WeakPolarHBondContact O-CB 3.41Å; V195-L199 PolarHBondContact O-N 3.4Å; L199-T226 PolarHBondContact O-OG1 3.27Å; L199-F229 HydrophobicContact CD2-CE2 3.9Å; L199-F229 HydrophobicContact CD2-CZ 3.55Å; L199-L248 WeakPolarHBondContact CD1-O 3.33Å; L199-L248 HydrophobicContact CD2-CB 4.35Å; L199-L248 WeakPolarHBondContact CD2-O 3.25Å; L199-Y250 HydrophobicContact CB-CD2 4.1Å; L199-Y250 HydrophobicContact CB-CE2 3.36Å; L199-Y250 HydrophobicContact CD1-CD1 4.44Å; L199-Y250 HydrophobicContact CD1-CD2 4.35Å; L199-Y250 HydrophobicContact CD1-CE1 4.21Å; L199-Y250 HydrophobicContact CD1-CE2 4.15Å; L199-Y250 HydrophobicContact CD1-CG 4.48Å; L199-Y250 HydrophobicContact CG-CE2 4.41Å
200G94.7Very high92.9Very high1 Ų153.3 Ų53.31%0.0126%0.263CS..  trans81.4167.2-170.200000112.2V196 V198 C224 Y250V196-G200 CarbonylContact O-C 3.55Å; V196-G200 WeakPolarHBondContact O-CA 3.39Å; V196-G200 PolarHBondContact O-N 3.2Å; V198-G200 PolarHBondContact O-N 3.19Å; G200-C224 CarbonylContact C-O 3.41Å; G200-C224 VanDerWaalsContact CA-O 3.31Å; G200-C224 WeakPolarHBondContact CA-O 3.21Å; G200-Y250 VanDerWaalsContact O-CE2 3.3Å; G200-Y250 WeakPolarHBondContact O-CE2 3.4Å; G200-Y250 PolarHBondContact O-OH 3.19Å
201T93.1Very high92.9Very high39 Ų3955 Ų5524%0.23927%0.269CS..  trans-68.2122.4176.2-56.60000110.3L223 C224T201-L223 HydrophobicContact CG2-CD1 4.17Å; T201-C224 PolarHBondContact N-O 2.85Å; T201-C224 PolarHBondContact OG1-N 2.91Å
202P92.3Very high93Very high26 Ų2659 Ų5917%0.16929%0.287CS..  trans-67.6139.1-179.930.3-34.8000110V210 Y250P202-V210 HydrophobicContact CB-CG2 4.02Å; P202-V210 HydrophobicContact CG-CG2 4.18Å; P202-Y250 HydrophobicContact CB-CD1 4.23Å; P202-Y250 HydrophobicContact CB-CD2 4.13Å; P202-Y250 HydrophobicContact CB-CE1 4.12Å; P202-Y250 HydrophobicContact CB-CE2 3.98Å; P202-Y250 HydrophobicContact CB-CG 4.25Å; P202-Y250 HydrophobicContact CG-CE1 4.17Å
203N91.6Very high92.9Very high63 Ų6358 Ų5834%0.33728%0.282SS..  trans-138.5172.4177.760.153.9000109.1D205 I206 W207N203-D205 PolarHBondContact O-N 3.13Å; N203-D205 WeakPolarHBondContact OD1-CA 3.12Å; N203-D205 VanDerWaalsContact OD1-CB 3.32Å; N203-D205 WeakPolarHBondContact OD1-CB 3.37Å; N203-D205 PolarHBondContact OD1-N 3.01Å; N203-I206 PolarHBondContact O-N 3.06Å; N203-I206 PolarHBondContact OD1-N 3.44Å; N203-W207 CarbonylContact O-C 3.58Å; N203-W207 PolarHBondContact O-N 3.15Å
204E94.2Very high92.7Very high95 Ų9558.8 Ų58.844%0.44430%0.3SS..THydrogen-bonded Turntrans-66.9-19-176.8-69.6167.1143.800113.6P208 V210 K211E204-P208 VanDerWaalsContact O-CA 3.27Å; E204-P208 WeakPolarHBondContact O-CA 3.24Å; E204-V210 HydrophobicContact CG-CG1 4.44Å; E204-K211 HydrophobicContact CG-CD 4.34Å; E204-K211 HydrophobicContact CG-CG 4.14Å; E204-K211 WeakPolarHBondContact OE1-CD 3.42Å; E204-K211 WeakPolarHBondContact OE1-CE 3.3Å; E204-K211 IonicContact OE1-NZ 2.65Å; E204-K211 PolarHBondContact OE1-NZ 2.65Å; E204-K211 WeakPolarHBondContact OE2-CE 3.33Å; E204-K211 IonicContact OE2-NZ 2.85Å; E204-K211 PolarHBondContact OE2-NZ 3.04Å
205D93.7Very high92.2Very high158 Ų15861.5 Ų61.585%0.84532%0.316SS*.THydrogen-bonded Turntrans-74.2-35.6174.5-57.7-41.9000111.2N203N203-D205 PolarHBondContact O-N 3.13Å; N203-D205 WeakPolarHBondContact OD1-CA 3.12Å; N203-D205 VanDerWaalsContact OD1-CB 3.32Å; N203-D205 WeakPolarHBondContact OD1-CB 3.37Å; N203-D205 PolarHBondContact OD1-N 3.01Å
206I92.7Very high91.8Very high65 Ų6564.4 Ų64.433%0.33333%0.327SS..THydrogen-bonded Turntrans-86.9-43.6179-61169.8000111.3N203 Y250 P251N203-I206 PolarHBondContact O-N 3.06Å; N203-I206 PolarHBondContact OD1-N 3.44Å; I206-Y250 HydrophobicContact CG2-CD2 4.04Å; I206-P251 WeakPolarHBondContact O-CG 3.3Å
207W93.7Very high91.2Very high27 Ų2770 Ų7010%0.10236%0.356CS..  trans-136.190.8-178.8-174.54.5000109.4N203 E209 V210 L213 Y250 P251 P252N203-W207 CarbonylContact O-C 3.58Å; N203-W207 PolarHBondContact O-N 3.15Å; W207-E209 PolarHBondContact NE1-OE2 3.28Å; W207-E209 PolarHBondContact O-N 3.37Å; W207-E209 VanDerWaalsContact O-N 3.16Å; W207-V210 HydrophobicContact CB-CB 4.01Å; W207-V210 HydrophobicContact CD2-CB 3.92Å; W207-V210 HydrophobicContact CD2-CG2 4.13Å; W207-V210 HydrophobicContact CE3-CB 4.07Å; W207-V210 HydrophobicContact CE3-CG2 3.75Å; W207-V210 HydrophobicContact CG-CB 3.89Å; W207-V210 HydrophobicContact CZ3-CG2 4.31Å; W207-V210 VanDerWaalsContact O-CB 3.25Å; W207-V210 WeakPolarHBondContact O-CB 3.25Å; W207-V210 VanDerWaalsContact O-CG1 3.24Å; W207-V210 WeakPolarHBondContact O-CG1 3.36Å; W207-V210 PolarHBondContact O-N 3.23Å; W207-L213 HydrophobicContact CE3-CD1 4.28Å; W207-L213 HydrophobicContact CH2-CD1 3.27Å; W207-L213 HydrophobicContact CH2-CD2 3.93Å; W207-L213 HydrophobicContact CH2-CG 4.15Å; W207-L213 HydrophobicContact CZ2-CD1 3.72Å; W207-L213 HydrophobicContact CZ2-CD2 3.75Å; W207-L213 HydrophobicContact CZ2-CG 4.17Å; W207-L213 HydrophobicContact CZ3-CD1 3.57Å; W207-Y250 HydrophobicContact CE3-CD1 4.1Å; W207-Y250 HydrophobicContact CE3-CG 4.35Å; W207-Y250 HydrophobicContact CZ3-CD1 4.26Å; W207-P251 HydrophobicContact CB-CG 3.83Å; W207-P251 HydrophobicContact CG-CB 4.47Å; W207-P251 HydrophobicContact CG-CG 3.86Å; W207-P252 HydrophobicContact CZ2-CG 4.42Å
208P94.3Very high90.8Very high68 Ų6871.2 Ų71.244%0.44237%0.365SS..THydrogen-bonded Turntrans-53.5-38.9-174.5-29.136.1000113.8E204 V210E204-P208 VanDerWaalsContact O-CA 3.27Å; E204-P208 WeakPolarHBondContact O-CA 3.24Å; P208-V210 VanDerWaalsContact C-N 3.31Å; P208-V210 PolarHBondContact O-N 2.93Å
209E92.5Very high90.2Very high58 Ų5874.4 Ų74.427%0.27138%0.381SS..THydrogen-bonded Turntrans-87.67.2-177.3-47.482.6-179.700113.4W207 K211 E212 H253W207-E209 PolarHBondContact NE1-OE2 3.28Å; W207-E209 PolarHBondContact O-N 3.37Å; W207-E209 VanDerWaalsContact O-N 3.16Å; E209-K211 PolarHBondContact O-N 3.41Å; E209-K211 VanDerWaalsContact O-N 3.15Å; E209-E212 WeakPolarHBondContact O-CB 3.35Å; E209-E212 PolarHBondContact O-N 3.2Å; E209-H253 IonicContact OE1-CE1 3.11Å; E209-H253 IonicContact OE2-CE1 3.3Å
210V91.6Very high89.5Confident2 Ų279 Ų791%0.01241%0.413CS..G310 helixtrans-57.9-35.1-173.770.50000112.7P202 E204 W207 P208 E212 L213 Y216P202-V210 HydrophobicContact CB-CG2 4.02Å; P202-V210 HydrophobicContact CG-CG2 4.18Å; E204-V210 HydrophobicContact CG-CG1 4.44Å; W207-V210 HydrophobicContact CB-CB 4.01Å; W207-V210 HydrophobicContact CD2-CB 3.92Å; W207-V210 HydrophobicContact CD2-CG2 4.13Å; W207-V210 HydrophobicContact CE3-CB 4.07Å; W207-V210 HydrophobicContact CE3-CG2 3.75Å; W207-V210 HydrophobicContact CG-CB 3.89Å; W207-V210 HydrophobicContact CZ3-CG2 4.31Å; W207-V210 VanDerWaalsContact O-CB 3.25Å; W207-V210 WeakPolarHBondContact O-CB 3.25Å; W207-V210 VanDerWaalsContact O-CG1 3.24Å; W207-V210 WeakPolarHBondContact O-CG1 3.36Å; W207-V210 PolarHBondContact O-N 3.23Å; P208-V210 VanDerWaalsContact C-N 3.31Å; P208-V210 PolarHBondContact O-N 2.93Å; V210-E212 PolarHBondContact O-N 3.32Å; V210-L213 HydrophobicContact CG2-CD1 4.08Å; V210-L213 WeakPolarHBondContact O-CD1 3.42Å; V210-L213 VanDerWaalsContact O-CG 3.31Å; V210-L213 WeakPolarHBondContact O-CG 3.21Å; V210-L213 PolarHBondContact O-N 3.22Å; V210-Y216 HydrophobicContact CB-CE2 4.4Å; V210-Y216 HydrophobicContact CG1-CE2 4.07Å; V210-Y216 HydrophobicContact CG2-CD2 3.85Å; V210-Y216 HydrophobicContact CG2-CE2 3.65Å; V210-Y216 WeakPolarHBondContact O-CD2 3.42Å
211K91.8Very high89Confident106 Ų10681.7 Ų81.746%0.46143%0.425SS..G310 helixtrans-73.1-15-179.9-58.9-158.3-176.4142.80113.8E204 E209 L213 Y216E204-K211 HydrophobicContact CG-CD 4.34Å; E204-K211 HydrophobicContact CG-CG 4.14Å; E204-K211 WeakPolarHBondContact OE1-CD 3.42Å; E204-K211 WeakPolarHBondContact OE1-CE 3.3Å; E204-K211 IonicContact OE1-NZ 2.65Å; E204-K211 PolarHBondContact OE1-NZ 2.65Å; E204-K211 WeakPolarHBondContact OE2-CE 3.33Å; E204-K211 IonicContact OE2-NZ 2.85Å; E204-K211 PolarHBondContact OE2-NZ 3.04Å; E209-K211 PolarHBondContact O-N 3.41Å; E209-K211 VanDerWaalsContact O-N 3.15Å; K211-L213 VanDerWaalsContact C-N 3.31Å; K211-Y216 HydrophobicContact CB-CD1 4.08Å; K211-Y216 HydrophobicContact CB-CE1 3.96Å; K211-Y216 HydrophobicContact CD-CE1 4.09Å; K211-Y216 HydrophobicContact CG-CD1 4.16Å; K211-Y216 HydrophobicContact CG-CE1 3.53Å
212E92.1Very high88.7Confident156 Ų15686.7 Ų86.773%0.72945%0.45SS*.G310 helixtrans-85.6-7.4-179.9-53.6-177176.200112.1E209 V210E209-E212 WeakPolarHBondContact O-CB 3.35Å; E209-E212 PolarHBondContact O-N 3.2Å; V210-E212 PolarHBondContact O-N 3.32Å
213L88.1Confident88.5Confident60 Ų6092.8 Ų92.831%0.31448%0.481SS..SBendtrans-68.3139.5-179.1-59170.4000111.5W207 V210 K211 D215 Y216W207-L213 HydrophobicContact CE3-CD1 4.28Å; W207-L213 HydrophobicContact CH2-CD1 3.27Å; W207-L213 HydrophobicContact CH2-CD2 3.93Å; W207-L213 HydrophobicContact CH2-CG 4.15Å; W207-L213 HydrophobicContact CZ2-CD1 3.72Å; W207-L213 HydrophobicContact CZ2-CD2 3.75Å; W207-L213 HydrophobicContact CZ2-CG 4.17Å; W207-L213 HydrophobicContact CZ3-CD1 3.57Å; V210-L213 HydrophobicContact CG2-CD1 4.08Å; V210-L213 WeakPolarHBondContact O-CD1 3.42Å; V210-L213 VanDerWaalsContact O-CG 3.31Å; V210-L213 WeakPolarHBondContact O-CG 3.21Å; V210-L213 PolarHBondContact O-N 3.22Å; K211-L213 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.35Å; L213-Y216 WeakPolarHBondContact O-CB 3.22Å; L213-Y216 PolarHBondContact O-N 2.88Å
214P87.6Confident88.5Confident112 Ų11291.3 Ų91.373%0.72748%0.475SS*.THydrogen-bonded Turntrans-56-30.2-173.7-27.233.8000115.7K218P214-K218 WeakPolarHBondContact O-CE 3.41Å; P214-K218 PolarHBondContact O-NZ 3.01Å
215D84.1Confident88.5Confident97 Ų9795.2 Ų95.252%0.51949%0.493SS..THydrogen-bonded Turntrans-110.210.1-176.9-62-51.8000113.4L213 K218L213-D215 PolarHBondContact O-N 3.35Å; D215-K218 HydrophobicContact CB-CD 4.09Å; D215-K218 WeakPolarHBondContact O-CB 3.5Å; D215-K218 PolarHBondContact O-N 3.39Å; D215-K218 WeakPolarHBondContact OD1-CD 3.43Å; D215-K218 VanDerWaalsContact OD1-CE 3.32Å; D215-K218 WeakPolarHBondContact OD1-CE 3.29Å; D215-K218 IonicContact OD1-NZ 2.64Å; D215-K218 PolarHBondContact OD1-NZ 3.45Å
216Y84.1Confident88.4Confident69 Ų6991.7 Ų91.727%0.27148%0.478SS..THydrogen-bonded Turntrans-59.9140.4176.2-171.6-103.5000111.1V210 K211 L213 K218V210-Y216 HydrophobicContact CB-CE2 4.4Å; V210-Y216 HydrophobicContact CG1-CE2 4.07Å; V210-Y216 HydrophobicContact CG2-CD2 3.85Å; V210-Y216 HydrophobicContact CG2-CE2 3.65Å; V210-Y216 WeakPolarHBondContact O-CD2 3.42Å; K211-Y216 HydrophobicContact CB-CD1 4.08Å; K211-Y216 HydrophobicContact CB-CE1 3.96Å; K211-Y216 HydrophobicContact CD-CE1 4.09Å; K211-Y216 HydrophobicContact CG-CD1 4.16Å; K211-Y216 HydrophobicContact CG-CE1 3.53Å; L213-Y216 WeakPolarHBondContact O-CB 3.22Å; L213-Y216 PolarHBondContact O-N 2.88Å; Y216-K218 PolarHBondContact O-N 3.48Å; Y216-K218 VanDerWaalsContact O-N 3.11Å
217N80.9Confident88.5Confident124 Ų12491 Ų9166%0.66347%0.474SS*.THydrogen-bonded Turntrans60.28-175.7-70.9-23.2000116.8I219N217-I219 VanDerWaalsContact C-N 3.31Å
218K85.4Confident88.6Confident143 Ų14392.5 Ų92.562%0.62249%0.487SS*.SBendtrans-73.4-28.2170.2-66.3-172-175.1171.20112.4P214 D215 Y216P214-K218 WeakPolarHBondContact O-CE 3.41Å; P214-K218 PolarHBondContact O-NZ 3.01Å; D215-K218 HydrophobicContact CB-CD 4.09Å; D215-K218 WeakPolarHBondContact O-CB 3.5Å; D215-K218 PolarHBondContact O-N 3.39Å; D215-K218 WeakPolarHBondContact OD1-CD 3.43Å; D215-K218 VanDerWaalsContact OD1-CE 3.32Å; D215-K218 WeakPolarHBondContact OD1-CE 3.29Å; D215-K218 IonicContact OD1-NZ 2.64Å; D215-K218 PolarHBondContact OD1-NZ 3.45Å; Y216-K218 PolarHBondContact O-N 3.48Å; Y216-K218 VanDerWaalsContact O-N 3.11Å
219I80.9Confident88.7Confident82 Ų8290.4 Ų90.442%0.42147%0.471SS..SBendtrans-132.5140.5176.1-60.7164.4000107.2I189 N217 F221I189-I219 HydrophobicContact CD1-CD1 3.94Å; I189-I219 HydrophobicContact CG1-CD1 3.87Å; I189-I219 HydrophobicContact CG2-CG2 4.5Å; N217-I219 VanDerWaalsContact C-N 3.31Å; I219-F221 HydrophobicContact CG2-CE1 4.1Å; I219-F221 HydrophobicContact CG2-CE2 4.27Å; I219-F221 HydrophobicContact CG2-CZ 3.86Å
220S80.8Confident88.9Confident107 Ų10793 Ų9375%0.74848%0.484SS*.  trans-127.7128.9177.656.90000110.1
221F83.5Confident89.1Confident58 Ų5899.7 Ų99.725%0.25451%0.514SS..PPolyproline II helixtrans-98.3165.8169.8-54.8-70.2000110.3I189 L192 W193 V196 I219I189-F221 HydrophobicContact CG2-CE1 4.05Å; I189-F221 HydrophobicContact CG2-CZ 4.15Å; L192-F221 HydrophobicContact CB-CE2 4.21Å; L192-F221 HydrophobicContact CB-CZ 4.15Å; L192-F221 HydrophobicContact CD2-CE2 3.62Å; L192-F221 HydrophobicContact CD2-CZ 4.02Å; L192-F221 HydrophobicContact CG-CE2 3.65Å; L192-F221 HydrophobicContact CG-CZ 4.08Å; W193-F221 HydrophobicContact CB-CD1 4.2Å; W193-F221 HydrophobicContact CB-CE1 3.79Å; W193-F221 HydrophobicContact CB-CZ 4.14Å; W193-F221 AromaticContact CD1-CD1 3.78Å; W193-F221 HydrophobicContact CG-CD1 4.4Å; W193-F221 HydrophobicContact CG-CE1 4.42Å; V196-F221 HydrophobicContact CB-CD2 4.44Å; V196-F221 HydrophobicContact CG1-CD2 4.45Å; V196-F221 HydrophobicContact CG2-CD2 4.19Å; V196-F221 HydrophobicContact CG2-CE2 4.45Å; I219-F221 HydrophobicContact CG2-CE1 4.1Å; I219-F221 HydrophobicContact CG2-CE2 4.27Å; I219-F221 HydrophobicContact CG2-CZ 3.86Å
222N86.1Confident89.2Confident144 Ų14495.9 Ų95.977%0.7750%0.5SS*.PPolyproline II helixtrans-59.7148.9166.2-67.8-26.3000109.7C224N222-C224 PolarHBondContact O-N 3.05Å; N222-C224 PolarHBondContact O-SG 3.05Å
223L89.9Confident89.4Confident154 Ų15488.6 Ų88.681%0.80647%0.466SS*.PPolyproline II helixtrans-59.3128.9176-169.874.3000109.7T201T201-L223 HydrophobicContact CG2-CD1 4.17Å
224C90.2Very high89.8Confident33 Ų3390 Ų9022%0.22348%0.478CS..  trans-119.5131.4176.3-64.30000109.4V196 G200 T201 N222V196-C224 HydrophobicContact CG1-CB 4.33Å; G200-C224 CarbonylContact C-O 3.41Å; G200-C224 VanDerWaalsContact CA-O 3.31Å; G200-C224 WeakPolarHBondContact CA-O 3.21Å; T201-C224 PolarHBondContact N-O 2.85Å; T201-C224 PolarHBondContact OG1-N 2.91Å; N222-C224 PolarHBondContact O-N 3.05Å; N222-C224 PolarHBondContact O-SG 3.05Å
225E93.7Very high90.2Very high177 Ų17792.3 Ų92.383%0.82749%0.485SS*.PPolyproline II helixtrans-75.5151.7164.8-64.6-177.7173.700109.4
226T93.5Very high90.8Very high84 Ų8488.7 Ų88.752%0.51547%0.468SS..PPolyproline II helixtrans-67.6132.3176-55.60000109.7L199L199-T226 PolarHBondContact O-OG1 3.27Å
227I94.3Very high91.4Very high51 Ų5186.7 Ų86.726%0.26246%0.464SS..PPolyproline II helixtrans-89128.4173.3-58.1177.5000107.9R197 V198 F229 E231 V232R197-I227 WeakPolarHBondContact O-CD1 3.28Å; V198-I227 PolarHBondContact O-N 3.2Å; I227-F229 PolarHBondContact O-N 2.95Å; I227-E231 HydrophobicContact CG2-CB 3.95Å; I227-V232 HydrophobicContact CB-CG2 4.33Å; I227-V232 HydrophobicContact CG2-CG2 3.8Å
228P95.6Very high92.3Very high58 Ų5886 Ų8638%0.37747%0.465SS..PPolyproline II helixtrans-56.3137173.1-23.233.6000111E230 E231 V232P228-E230 VanDerWaalsContact CB-OE2 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.33Å; P228-E230 PolarHBondContact O-N 2.82Å; P228-E231 HydrophobicContact CB-CG 4.41Å; P228-E231 WeakPolarHBondContact O-CB 3.29Å; P228-E231 PolarHBondContact O-N 3.46Å; P228-V232 PolarHBondContact O-N 3.37Å
229F95.9Very high92.9Very high23 Ų2382.3 Ų82.310%0.10145%0.45CS..Hα-helixtrans-66.8-21.2-177.6-87.4-76.9000112.8V198 L199 I227 E231 V232 L233 V241 V244 L248V198-F229 HydrophobicContact CG1-CE1 4.19Å; V198-F229 HydrophobicContact CG1-CZ 4.41Å; L199-F229 HydrophobicContact CD2-CE2 3.9Å; L199-F229 HydrophobicContact CD2-CZ 3.55Å; I227-F229 PolarHBondContact O-N 2.95Å; F229-E231 PolarHBondContact O-N 3.4Å; F229-V232 HydrophobicContact CD1-CB 4.29Å; F229-V232 PolarHBondContact O-N 3.3Å; F229-V232 VanDerWaalsContact O-N 3.13Å; F229-L233 PolarHBondContact O-N 3.46Å; F229-V241 HydrophobicContact CB-CG1 3.63Å; F229-V244 HydrophobicContact CD1-CG1 4.05Å; F229-V244 HydrophobicContact CE1-CG1 3.92Å; F229-L248 HydrophobicContact CE1-CB 4.48Å; F229-L248 HydrophobicContact CE1-CD1 3.7Å; F229-L248 HydrophobicContact CE2-CB 4.47Å; F229-L248 HydrophobicContact CZ-CB 3.72Å; F229-L248 HydrophobicContact CZ-CD1 3.79Å; F229-L248 HydrophobicContact CZ-CG 4.39Å
230E96.3Very high93.7Very high114 Ų11478.4 Ų78.453%0.53343%0.43SS..Hα-helixtrans-61.9-30.5170.2-6079.9178.900111.9P228 P234 V241P228-E230 VanDerWaalsContact CB-OE2 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.33Å; P228-E230 PolarHBondContact O-N 2.82Å; E230-P234 VanDerWaalsContact O-CA 3.27Å; E230-P234 WeakPolarHBondContact O-CA 3.32Å; E230-V241 HydrophobicContact CG-CG1 4.05Å
231E96Very high94.5Very high141 Ų14173.6 Ų73.666%0.65940%0.396SS*.Hα-helixtrans-81.5-26.7173.7-64.8-176-146.700112I227 P228 F229I227-E231 HydrophobicContact CG2-CB 3.95Å; P228-E231 HydrophobicContact CB-CG 4.41Å; P228-E231 WeakPolarHBondContact O-CB 3.29Å; P228-E231 PolarHBondContact O-N 3.46Å; F229-E231 PolarHBondContact O-N 3.4Å
232V95Very high95.3Very high26 Ų2672.5 Ų72.516%0.15840%0.398CS..Hα-helixtrans-78.9-34.9177.5-179.10000111.8L182 V198 I227 P228 F229 P234L182-V232 HydrophobicContact CD2-CG1 3.73Å; V198-V232 HydrophobicContact CG1-CG2 3.88Å; I227-V232 HydrophobicContact CB-CG2 4.33Å; I227-V232 HydrophobicContact CG2-CG2 3.8Å; P228-V232 PolarHBondContact O-N 3.37Å; F229-V232 HydrophobicContact CD1-CB 4.29Å; F229-V232 PolarHBondContact O-N 3.3Å; F229-V232 VanDerWaalsContact O-N 3.13Å; V232-P234 VanDerWaalsContact C-CD 3.45Å; V232-P234 WeakPolarHBondContact O-CD 3.34Å
233L96.8Very high95.8Very high4 Ų465.7 Ų65.72%0.02136%0.361CS..SBendtrans-125.565.4-177.7-67.5171.4000109.9L177 N178 L182 F229 D235 A236 V241 V244L177-L233 HydrophobicContact CB-CD2 4.02Å; L177-L233 HydrophobicContact CD1-CD1 4.01Å; N178-L233 HydrophobicContact CB-CD2 3.78Å; L182-L233 HydrophobicContact CD2-CD2 3.95Å; L182-L233 HydrophobicContact CD2-CG 4.4Å; F229-L233 PolarHBondContact O-N 3.46Å; L233-D235 PolarHBondContact O-N 3.17Å; L233-A236 HydrophobicContact CB-CB 3.89Å; L233-A236 PolarHBondContact O-N 3.05Å; L233-A236 VanDerWaalsContact O-N 3.16Å; L233-V241 HydrophobicContact CB-CG2 4.22Å; L233-V244 HydrophobicContact CD1-CB 4.19Å; L233-V244 HydrophobicContact CD1-CG1 4.01Å; L233-V244 HydrophobicContact CD1-CG2 3.91Å
234P95.9Very high96.2Very high88 Ų8858.3 Ų58.357%0.57132%0.323SS*.THydrogen-bonded Turntrans-65.1-25.3-169.426.9-36.5000114.4E230 V232E230-P234 VanDerWaalsContact O-CA 3.27Å; E230-P234 WeakPolarHBondContact O-CA 3.32Å; V232-P234 VanDerWaalsContact C-CD 3.45Å; V232-P234 WeakPolarHBondContact O-CD 3.34Å
235D95Very high96.6Very high161 Ų16158.8 Ų58.886%0.86133%0.326SS*.THydrogen-bonded Turntrans-95.1-2.6-178.6-60.9-49.1000113.1L233L233-D235 PolarHBondContact O-N 3.17Å
236A96.9Very high96.7Very high21 Ų2154.2 Ų54.217%0.17430%0.304CS..SBendtrans-87.4148.9-178.500000112L177 L233 A240 V241L177-A236 HydrophobicContact CB-CB 4.49Å; L177-A236 HydrophobicContact CD1-CB 4.13Å; L177-A236 HydrophobicContact CD2-CB 4.39Å; L233-A236 HydrophobicContact CB-CB 3.89Å; L233-A236 PolarHBondContact O-N 3.05Å; L233-A236 VanDerWaalsContact O-N 3.16Å; A236-A240 HydrophobicContact CB-CB 4.04Å; A236-V241 HydrophobicContact CB-CG2 4.08Å
237S97.7Very high96.9Very high27 Ų2750.2 Ų50.219%0.18928%0.279CS..  trans-61.7159.5173.268.70000112.9E101 E239 A240 V241E101-S237 WeakPolarHBondContact OE1-CB 3.26Å; E101-S237 PolarHBondContact OE1-OG 2.91Å; E101-S237 WeakPolarHBondContact OE2-CB 3.5Å; E101-S237 PolarHBondContact OE2-N 2.94Å; E101-S237 PolarHBondContact OE2-OG 3.25Å; S237-E239 PolarHBondContact O-N 3.14Å; S237-A240 WeakPolarHBondContact O-CB 3.5Å; S237-A240 PolarHBondContact O-N 3.33Å; S237-A240 VanDerWaalsContact O-N 3.11Å; S237-A240 WeakPolarHBondContact OG-CB 3.44Å; S237-A240 PolarHBondContact OG-N 2.94Å; S237-A240 VanDerWaalsContact OG-N 3.08Å; S237-V241 WeakPolarHBondContact O-CG2 3.35Å; S237-V241 PolarHBondContact O-N 3.15Å
238V98Very high97Very high111 Ų11148 Ų4867%0.67327%0.268SS*.Hα-helixtrans-58.9-38176.2178.80000110.6A242V238-A242 WeakPolarHBondContact O-CB 3.32Å; V238-A242 PolarHBondContact O-N 2.76Å
239E98.4Very high97Very high64 Ų6447.1 Ų47.130%0.29926%0.261SS..Hα-helixtrans-67.2-40.6176.5-66.674-168.200112S237 A242 L243 Y266 T269S237-E239 PolarHBondContact O-N 3.14Å; E239-A242 PolarHBondContact O-N 2.85Å; E239-L243 PolarHBondContact O-N 2.86Å; E239-Y266 HydrophobicContact CB-CD2 4.05Å; E239-T269 HydrophobicContact CG-CG2 4.14Å
240A98.4Very high96.9Very high0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-62.1-49.9175.700000111F173 L177 A236 S237 A242 L243 V244 Y266F173-A240 HydrophobicContact CZ-CB 4.1Å; L177-A240 HydrophobicContact CD1-CB 3.93Å; L177-A240 HydrophobicContact CD2-CB 4.22Å; A236-A240 HydrophobicContact CB-CB 4.04Å; S237-A240 WeakPolarHBondContact O-CB 3.5Å; S237-A240 PolarHBondContact O-N 3.33Å; S237-A240 VanDerWaalsContact O-N 3.11Å; S237-A240 WeakPolarHBondContact OG-CB 3.44Å; S237-A240 PolarHBondContact OG-N 2.94Å; S237-A240 VanDerWaalsContact OG-N 3.08Å; A240-A242 VanDerWaalsContact C-N 3.32Å; A240-A242 PolarHBondContact O-N 3.48Å; A240-L243 PolarHBondContact O-N 3.32Å; A240-V244 WeakPolarHBondContact O-CG2 3.45Å; A240-V244 PolarHBondContact O-N 3.34Å; A240-Y266 HydrophobicContact CB-CD2 3.95Å; A240-Y266 HydrophobicContact CB-CE2 3.49Å; A240-Y266 VanDerWaalsContact CB-CE2 3.49Å
241V98.4Very high96.6Very high6 Ų641.1 Ų41.14%0.03623%0.233CC..Hα-helixtrans-58.3-44.9176.6169.30000110.8F229 E230 L233 A236 S237 L243 V244 S245F229-V241 HydrophobicContact CB-CG1 3.63Å; E230-V241 HydrophobicContact CG-CG1 4.05Å; L233-V241 HydrophobicContact CB-CG2 4.22Å; A236-V241 HydrophobicContact CB-CG2 4.08Å; S237-V241 WeakPolarHBondContact O-CG2 3.35Å; S237-V241 PolarHBondContact O-N 3.15Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 2.64Å; V241-V244 PolarHBondContact O-N 3.27Å; V241-S245 WeakPolarHBondContact O-CB 3.34Å; V241-S245 PolarHBondContact O-N 3.38Å; V241-S245 PolarHBondContact O-OG 2.89Å
242A98.3Very high96.3Very high36 Ų3635 Ų3530%0.29821%0.206SC..Hα-helixtrans-60.9-41.1177.100000111.9V238 E239 A240 S245 K246V238-A242 WeakPolarHBondContact O-CB 3.32Å; V238-A242 PolarHBondContact O-N 2.76Å; E239-A242 PolarHBondContact O-N 2.85Å; A240-A242 VanDerWaalsContact C-N 3.32Å; A240-A242 PolarHBondContact O-N 3.48Å; A242-S245 PolarHBondContact O-OG 2.81Å; A242-K246 VanDerWaalsContact O-CG 3.29Å; A242-K246 WeakPolarHBondContact O-CG 3.46Å; A242-K246 PolarHBondContact O-N 2.88Å
243L98.5Very high96Very high0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-72-42178177.458.8000112.2F173 E239 A240 V241 S245 K246 F247 I256 A261 D264 Y266 F267F173-L243 HydrophobicContact CD1-CD2 4.38Å; F173-L243 HydrophobicContact CD1-CG 4.29Å; F173-L243 HydrophobicContact CE1-CB 3.96Å; F173-L243 HydrophobicContact CE1-CD2 3.77Å; F173-L243 HydrophobicContact CE1-CG 3.84Å; F173-L243 HydrophobicContact CZ-CD2 4.44Å; E239-L243 PolarHBondContact O-N 2.86Å; A240-L243 PolarHBondContact O-N 3.32Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 2.64Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.87Å; L243-K246 PolarHBondContact O-N 3.3Å; L243-F247 HydrophobicContact CD1-CD2 4.09Å; L243-F247 HydrophobicContact CD1-CE2 3.57Å; L243-F247 HydrophobicContact CD1-CZ 4.27Å; L243-F247 HydrophobicContact CD2-CE2 4.28Å; L243-F247 HydrophobicContact CG-CD2 4.16Å; L243-F247 HydrophobicContact CG-CE2 3.73Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.46Å; L243-F247 PolarHBondContact O-N 3.42Å; L243-I256 HydrophobicContact CD1-CD1 4.01Å; L243-A261 HydrophobicContact CD1-CB 4.28Å; L243-D264 HydrophobicContact CD1-CB 3.97Å; L243-D264 HydrophobicContact CD2-CB 4.35Å; L243-Y266 HydrophobicContact CD2-CD1 3.54Å; L243-Y266 HydrophobicContact CD2-CE1 4.37Å; L243-Y266 HydrophobicContact CD2-CG 3.95Å; L243-F267 HydrophobicContact CD2-CE2 3.82Å; L243-F267 HydrophobicContact CD2-CZ 3.99Å
244V98.2Very high95.7Very high0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-57.1-46.1174.7170.80000111.1F173 L177 L182 F229 L233 A240 V241 K246 F247 L248F173-V244 HydrophobicContact CB-CG2 4.41Å; F173-V244 HydrophobicContact CD1-CB 4.44Å; F173-V244 HydrophobicContact CD1-CG2 3.31Å; F173-V244 HydrophobicContact CE1-CG2 3.55Å; F173-V244 HydrophobicContact CG-CG2 3.95Å; F173-V244 HydrophobicContact CZ-CG2 4.36Å; L177-V244 HydrophobicContact CD1-CG2 3.86Å; L182-V244 HydrophobicContact CD1-CG1 4.35Å; F229-V244 HydrophobicContact CD1-CG1 4.05Å; F229-V244 HydrophobicContact CE1-CG1 3.92Å; L233-V244 HydrophobicContact CD1-CB 4.19Å; L233-V244 HydrophobicContact CD1-CG1 4.01Å; L233-V244 HydrophobicContact CD1-CG2 3.91Å; A240-V244 WeakPolarHBondContact O-CG2 3.45Å; A240-V244 PolarHBondContact O-N 3.34Å; V241-V244 PolarHBondContact O-N 3.27Å; V244-K246 PolarHBondContact O-N 3.31Å; V244-F247 WeakPolarHBondContact O-CB 3.47Å; V244-F247 PolarHBondContact O-N 2.92Å; V244-L248 HydrophobicContact CG1-CD1 3.57Å; V244-L248 HydrophobicContact CG1-CG 4.26Å; V244-L248 PolarHBondContact O-N 2.93Å
245S97.2Very high95.7Very high43 Ų4339.9 Ų39.930%0.30122%0.218SC..Hα-helixtrans-62-31.6-179680000112.9V241 A242 L243 L248 V249V241-S245 WeakPolarHBondContact O-CB 3.34Å; V241-S245 PolarHBondContact O-N 3.38Å; V241-S245 PolarHBondContact O-OG 2.89Å; A242-S245 PolarHBondContact O-OG 2.81Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.87Å; S245-L248 PolarHBondContact O-N 3.41Å; S245-V249 VanDerWaalsContact O-CG2 3.26Å; S245-V249 WeakPolarHBondContact O-CG2 3.22Å
246K97.3Very high95.7Very high81 Ų8133 Ų3335%0.35218%0.181SC..Hα-helixtrans-72-27.4175.3-66.5171.5-161.41740113.4A242 L243 V244 I256 D264A242-K246 VanDerWaalsContact O-CG 3.29Å; A242-K246 WeakPolarHBondContact O-CG 3.46Å; A242-K246 PolarHBondContact O-N 2.88Å; L243-K246 PolarHBondContact O-N 3.3Å; V244-K246 PolarHBondContact O-N 3.31Å; K246-I256 HydrophobicContact CB-CB 3.95Å; K246-I256 HydrophobicContact CB-CD1 4.23Å; K246-I256 HydrophobicContact CB-CG2 3.96Å; K246-I256 HydrophobicContact CD-CD1 3.96Å; K246-I256 WeakPolarHBondContact O-CG2 3.25Å; K246-I256 PolarHBondContact O-N 3.05Å; K246-D264 IonicContact NZ-OD2 2.73Å; K246-D264 PolarHBondContact NZ-OD2 2.89Å
247F97.2Very high95.5Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-78.2-35.8172.6-76.6-65.6000112.6M108 L112 T166 I169 G170 L243 V244 V249 R255 I256 A261M108-F247 HydrophobicContact CE-CE2 4.26Å; L112-F247 HydrophobicContact CD2-CE1 4.49Å; L112-F247 HydrophobicContact CD2-CZ 3.99Å; T166-F247 HydrophobicContact CG2-CE1 4.44Å; T166-F247 WeakPolarHBondContact O-CD1 3.47Å; I169-F247 HydrophobicContact CB-CD1 4.47Å; I169-F247 HydrophobicContact CB-CE1 4.21Å; I169-F247 HydrophobicContact CG2-CD1 4.36Å; I169-F247 HydrophobicContact CG2-CE1 3.81Å; I169-F247 HydrophobicContact CG2-CE2 4.17Å; I169-F247 HydrophobicContact CG2-CZ 3.7Å; G170-F247 VanDerWaalsContact CA-CB 3.45Å; L243-F247 HydrophobicContact CD1-CD2 4.09Å; L243-F247 HydrophobicContact CD1-CE2 3.57Å; L243-F247 HydrophobicContact CD1-CZ 4.27Å; L243-F247 HydrophobicContact CD2-CE2 4.28Å; L243-F247 HydrophobicContact CG-CD2 4.16Å; L243-F247 HydrophobicContact CG-CE2 3.73Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.46Å; L243-F247 PolarHBondContact O-N 3.42Å; V244-F247 WeakPolarHBondContact O-CB 3.47Å; V244-F247 PolarHBondContact O-N 2.92Å; F247-V249 PolarHBondContact O-N 3.23Å; F247-R255 WeakPolarHBondContact O-CD 3.33Å; F247-I256 HydrophobicContact CD1-CG2 3.42Å; F247-I256 VanDerWaalsContact CD1-CG2 3.42Å; F247-I256 HydrophobicContact CD2-CG2 4.3Å; F247-I256 HydrophobicContact CE1-CG2 3.55Å; F247-I256 HydrophobicContact CE2-CG2 4.4Å; F247-I256 HydrophobicContact CG-CG2 3.82Å; F247-I256 HydrophobicContact CZ-CG2 4.04Å; F247-A261 HydrophobicContact CE1-CB 4.12Å; F247-A261 HydrophobicContact CE2-CB 4.3Å; F247-A261 HydrophobicContact CZ-CB 3.49Å; F247-A261 VanDerWaalsContact CZ-CB 3.49Å
248L96.3Very high95.3Very high4 Ų434.3 Ų34.32%0.02119%0.185CC..SBendtrans-98.945.5-169.8-60.8-179.1000112.9R167 L182 F183 L199 F229 V244 S245R167-L248 HydrophobicContact CG-CD2 4.16Å; L182-L248 HydrophobicContact CD1-CD1 3.7Å; F183-L248 HydrophobicContact CE2-CD1 3.94Å; F183-L248 HydrophobicContact CE2-CD2 4.02Å; F183-L248 HydrophobicContact CZ-CD1 3.91Å; L199-L248 WeakPolarHBondContact CD1-O 3.33Å; L199-L248 HydrophobicContact CD2-CB 4.35Å; L199-L248 WeakPolarHBondContact CD2-O 3.25Å; F229-L248 HydrophobicContact CE1-CB 4.48Å; F229-L248 HydrophobicContact CE1-CD1 3.7Å; F229-L248 HydrophobicContact CE2-CB 4.47Å; F229-L248 HydrophobicContact CZ-CB 3.72Å; F229-L248 HydrophobicContact CZ-CD1 3.79Å; F229-L248 HydrophobicContact CZ-CG 4.39Å; V244-L248 HydrophobicContact CG1-CD1 3.57Å; V244-L248 HydrophobicContact CG1-CG 4.26Å; V244-L248 PolarHBondContact O-N 2.93Å; S245-L248 PolarHBondContact O-N 3.41Å
249V94.4Very high95.1Very high39 Ų3931.4 Ų31.424%0.23617%0.17CC..  trans-91.2142.1175.3179.40000110.5S245 F247 Q254 R255S245-V249 VanDerWaalsContact O-CG2 3.26Å; S245-V249 WeakPolarHBondContact O-CG2 3.22Å; F247-V249 PolarHBondContact O-N 3.23Å; V249-Q254 HydrophobicContact CG1-CB 3.91Å; V249-R255 HydrophobicContact CB-CG 4.02Å; V249-R255 PolarHBondContact O-NE 2.89Å; V249-R255 PolarHBondContact O-NH2 2.99Å
250Y93.7Very high94.9Very high12 Ų1233.3 Ų33.35%0.04718%0.179CC..SBendtrans-61.2-64.6179.2-90.1-62.4000112.1V195 V196 L199 G200 P202 I206 W207 P252 R255V195-Y250 HydrophobicContact CG1-CE1 3.94Å; V196-Y250 WeakPolarHBondContact CA-OH 3.38Å; L199-Y250 HydrophobicContact CB-CD2 4.1Å; L199-Y250 HydrophobicContact CB-CE2 3.36Å; L199-Y250 HydrophobicContact CD1-CD1 4.44Å; L199-Y250 HydrophobicContact CD1-CD2 4.35Å; L199-Y250 HydrophobicContact CD1-CE1 4.21Å; L199-Y250 HydrophobicContact CD1-CE2 4.15Å; L199-Y250 HydrophobicContact CD1-CG 4.48Å; L199-Y250 HydrophobicContact CG-CE2 4.41Å; G200-Y250 VanDerWaalsContact O-CE2 3.3Å; G200-Y250 WeakPolarHBondContact O-CE2 3.4Å; G200-Y250 PolarHBondContact O-OH 3.19Å; P202-Y250 HydrophobicContact CB-CD1 4.23Å; P202-Y250 HydrophobicContact CB-CD2 4.13Å; P202-Y250 HydrophobicContact CB-CE1 4.12Å; P202-Y250 HydrophobicContact CB-CE2 3.98Å; P202-Y250 HydrophobicContact CB-CG 4.25Å; P202-Y250 HydrophobicContact CG-CE1 4.17Å; I206-Y250 HydrophobicContact CG2-CD2 4.04Å; W207-Y250 HydrophobicContact CE3-CD1 4.1Å; W207-Y250 HydrophobicContact CE3-CG 4.35Å; W207-Y250 HydrophobicContact CZ3-CD1 4.26Å; Y250-P252 WeakPolarHBondContact O-CD 3.39Å; Y250-P252 VanDerWaalsContact O-N 3.15Å; Y250-R255 PolarHBondContact O-NH2 3.39Å
251P91.5Very high94.9Very high0 Ų033.3 Ų33.30%018%0.179CC..SBendtrans-56.3118.1176.6-26.733000111.6I206 W207 H253 Q254I206-P251 WeakPolarHBondContact O-CG 3.3Å; W207-P251 HydrophobicContact CB-CG 3.83Å; W207-P251 HydrophobicContact CG-CB 4.47Å; W207-P251 HydrophobicContact CG-CG 3.86Å; P251-H253 PolarHBondContact O-N 2.92Å; P251-Q254 HydrophobicContact CB-CB 4.11Å; P251-Q254 HydrophobicContact CB-CG 3.82Å; P251-Q254 HydrophobicContact CG-CG 4.38Å; P251-Q254 PolarHBondContact O-N 3.09Å; P251-Q254 VanDerWaalsContact O-N 3.09Å
252P90Very high94.9Very high13 Ų1334.7 Ų34.78%0.08419%0.186CC..G310 helixtrans-55.7-38.9178.8-29.939.5000112.3Y160 Q163 W207 Y250 Q254 R255Y160-P252 HydrophobicContact CD1-CB 4.22Å; Y160-P252 HydrophobicContact CD1-CG 4.26Å; Y160-P252 HydrophobicContact CE1-CB 4.3Å; Y160-P252 HydrophobicContact CE1-CG 4.04Å; Q163-P252 HydrophobicContact CB-CB 3.73Å; Q163-P252 WeakPolarHBondContact CB-O 3.4Å; Q163-P252 HydrophobicContact CG-CB 4.27Å; Q163-P252 WeakPolarHBondContact CG-O 3.5Å; Q163-P252 PolarHBondContact OE1-O 2.96Å; W207-P252 HydrophobicContact CZ2-CG 4.42Å; Y250-P252 WeakPolarHBondContact O-CD 3.39Å; Y250-P252 VanDerWaalsContact O-N 3.15Å; P252-Q254 PolarHBondContact O-N 3.5Å; P252-R255 PolarHBondContact O-N 2.8Å
253H87.2Confident94.9Very high94 Ų9440.4 Ų40.444%0.43520%0.204SC..G310 helixtrans-70.1-11.3-17968.6-98000115.7Q163 E209 P251Q163-H253 VanDerWaalsContact NE2-CA 3.26Å; E209-H253 IonicContact OE1-CE1 3.11Å; E209-H253 IonicContact OE2-CE1 3.3Å; P251-H253 PolarHBondContact O-N 2.92Å
254Q92Very high94.9Very high105 Ų10540.8 Ų40.849%0.49121%0.206SC..G310 helixtrans-102.3-7176.2-60.3178.513.400112.6V249 P251 P252V249-Q254 HydrophobicContact CG1-CB 3.91Å; P251-Q254 HydrophobicContact CB-CB 4.11Å; P251-Q254 HydrophobicContact CB-CG 3.82Å; P251-Q254 HydrophobicContact CG-CG 4.38Å; P251-Q254 PolarHBondContact O-N 3.09Å; P251-Q254 VanDerWaalsContact O-N 3.09Å; P252-Q254 PolarHBondContact O-N 3.5Å
255R94.1Very high94.9Very high21 Ų2144.1 Ų44.18%0.07923%0.228CC..SBendtrans-67.2141.9175.9-68.1-179.7-167.314015.9110Q163 F247 V249 Y250 P252 T257Q163-R255 PolarHBondContact O-NH1 2.93Å; F247-R255 WeakPolarHBondContact O-CD 3.33Å; V249-R255 HydrophobicContact CB-CG 4.02Å; V249-R255 PolarHBondContact O-NE 2.89Å; V249-R255 PolarHBondContact O-NH2 2.99Å; Y250-R255 PolarHBondContact O-NH2 3.39Å; P252-R255 PolarHBondContact O-N 2.8Å; R255-T257 PolarHBondContact O-N 3.09Å
256I95.2Very high94.9Very high17 Ų1742 Ų429%0.08721%0.213CC..PPolyproline II helixtrans-54.9139.1172.2-164.3170.7000110.8T166 L243 K246 F247 E260 A261T166-I256 WeakPolarHBondContact CB-O 3.49Å; T166-I256 WeakPolarHBondContact CG2-O 3.26Å; L243-I256 HydrophobicContact CD1-CD1 4.01Å; K246-I256 HydrophobicContact CB-CB 3.95Å; K246-I256 HydrophobicContact CB-CD1 4.23Å; K246-I256 HydrophobicContact CB-CG2 3.96Å; K246-I256 HydrophobicContact CD-CD1 3.96Å; K246-I256 WeakPolarHBondContact O-CG2 3.25Å; K246-I256 PolarHBondContact O-N 3.05Å; F247-I256 HydrophobicContact CD1-CG2 3.42Å; F247-I256 VanDerWaalsContact CD1-CG2 3.42Å; F247-I256 HydrophobicContact CD2-CG2 4.3Å; F247-I256 HydrophobicContact CE1-CG2 3.55Å; F247-I256 HydrophobicContact CE2-CG2 4.4Å; F247-I256 HydrophobicContact CG-CG2 3.82Å; F247-I256 HydrophobicContact CZ-CG2 4.04Å; I256-E260 HydrophobicContact CD1-CB 4.06Å; I256-E260 HydrophobicContact CG1-CB 3.53Å; I256-A261 HydrophobicContact CD1-CB 3.95Å; I256-A261 HydrophobicContact CG1-CB 4.28Å
257T93.1Very high95Very high67 Ų6738.9 Ų38.941%0.41120%0.2SC..PPolyproline II helixtrans-81.7162.317266.30000111R255 S259 E260 A261R255-T257 PolarHBondContact O-N 3.09Å; T257-S259 VanDerWaalsContact C-N 3.29Å; T257-S259 PolarHBondContact O-N 2.83Å; T257-E260 WeakPolarHBondContact CB-OE2 3.47Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.35Å; T257-E260 PolarHBondContact N-OE2 3.42Å; T257-E260 PolarHBondContact O-N 2.9Å; T257-E260 VanDerWaalsContact OG1-CG 3.26Å; T257-E260 WeakPolarHBondContact OG1-CG 3.14Å; T257-E260 PolarHBondContact OG1-N 3.08Å; T257-E260 PolarHBondContact OG1-OE2 3.08Å; T257-A261 WeakPolarHBondContact O-CB 3.31Å; T257-A261 PolarHBondContact O-N 3.47Å
258V93.9Very high95Very high7 Ų743.9 Ų43.94%0.04223%0.23CC..Hα-helixtrans-59.8-40.4176.1175.30000111.8L112 V115 E116 T166 I169 E260 A261 L262L112-V258 HydrophobicContact CB-CG1 4.32Å; L112-V258 HydrophobicContact CD2-CG1 4.02Å; L112-V258 HydrophobicContact CD2-CG2 4.44Å; L112-V258 WeakPolarHBondContact O-CG1 3.38Å; V115-V258 HydrophobicContact CB-CG2 4.33Å; V115-V258 HydrophobicContact CG1-CG2 3.77Å; E116-V258 HydrophobicContact CB-CG1 3.88Å; T166-V258 HydrophobicContact CG2-CG2 4.04Å; I169-V258 HydrophobicContact CD1-CG2 4.15Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 2.96Å; V258-A261 PolarHBondContact O-N 2.89Å; V258-L262 HydrophobicContact CG1-CD1 4.17Å; V258-L262 WeakPolarHBondContact O-CG 3.4Å; V258-L262 PolarHBondContact O-N 2.76Å
259S93.2Very high95.1Very high50 Ų5045.9 Ų45.935%0.3524%0.243SC..Hα-helixtrans-67.6-31.3-179.9-167.40000113T257 K263T257-S259 VanDerWaalsContact C-N 3.29Å; T257-S259 PolarHBondContact O-N 2.83Å; S259-K263 WeakPolarHBondContact O-CD 3.22Å; S259-K263 WeakPolarHBondContact O-CE 3.35Å; S259-K263 PolarHBondContact O-NZ 3.39Å; S259-K263 PolarHBondContact OG-NZ 2.87Å
260E95.7Very high95.2Very high104 Ų10450.1 Ų50.149%0.48626%0.264SS..Hα-helixtrans-75.4-43.5173.3-71.1162.4147.400111.1I256 T257 V258 L262 K263 D264I256-E260 HydrophobicContact CD1-CB 4.06Å; I256-E260 HydrophobicContact CG1-CB 3.53Å; T257-E260 WeakPolarHBondContact CB-OE2 3.47Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.35Å; T257-E260 PolarHBondContact N-OE2 3.42Å; T257-E260 PolarHBondContact O-N 2.9Å; T257-E260 VanDerWaalsContact OG1-CG 3.26Å; T257-E260 WeakPolarHBondContact OG1-CG 3.14Å; T257-E260 PolarHBondContact OG1-N 3.08Å; T257-E260 PolarHBondContact OG1-OE2 3.08Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 2.96Å; E260-L262 VanDerWaalsContact C-N 3.32Å; E260-L262 PolarHBondContact O-N 2.9Å; E260-K263 PolarHBondContact O-N 3.15Å; E260-D264 PolarHBondContact O-N 2.84Å
261A97.8Very high95.4Very high0 Ų051.7 Ų51.70%028%0.276CS..Hα-helixtrans-60-40.4178.500000112.3L112 L243 F247 I256 T257 V258 K263 D264 F267L112-A261 HydrophobicContact CD1-CB 4.08Å; L112-A261 HydrophobicContact CD2-CB 3.93Å; L243-A261 HydrophobicContact CD1-CB 4.28Å; F247-A261 HydrophobicContact CE1-CB 4.12Å; F247-A261 HydrophobicContact CE2-CB 4.3Å; F247-A261 HydrophobicContact CZ-CB 3.49Å; F247-A261 VanDerWaalsContact CZ-CB 3.49Å; I256-A261 HydrophobicContact CD1-CB 3.95Å; I256-A261 HydrophobicContact CG1-CB 4.28Å; T257-A261 WeakPolarHBondContact O-CB 3.31Å; T257-A261 PolarHBondContact O-N 3.47Å; V258-A261 PolarHBondContact O-N 2.89Å; A261-K263 PolarHBondContact O-N 2.84Å; A261-D264 WeakPolarHBondContact O-CB 3.33Å; A261-D264 PolarHBondContact O-N 3.43Å; A261-F267 WeakPolarHBondContact O-CD2 3.03Å; A261-F267 WeakPolarHBondContact O-CE2 3.49Å
262L97.7Very high95.7Very high36 Ų3656.2 Ų56.219%0.18830%0.3CS..THydrogen-bonded Turntrans-59.9-17.7175.2-77.8168000114.1L109 L112 R113 E116 V258 E260L109-L262 HydrophobicContact CD2-CD2 4.15Å; L112-L262 HydrophobicContact CB-CD2 3.53Å; L112-L262 HydrophobicContact CB-CG 3.88Å; L112-L262 HydrophobicContact CD1-CD2 4.25Å; L112-L262 HydrophobicContact CD1-CG 4.48Å; R113-L262 HydrophobicContact CG-CD2 3.96Å; E116-L262 HydrophobicContact CB-CD1 4.19Å; E116-L262 VanDerWaalsContact CD-CD1 3.46Å; E116-L262 HydrophobicContact CG-CD1 4.37Å; E116-L262 WeakPolarHBondContact OE1-CD1 3.43Å; E116-L262 WeakPolarHBondContact OE2-CD1 3.42Å; V258-L262 HydrophobicContact CG1-CD1 4.17Å; V258-L262 WeakPolarHBondContact O-CG 3.4Å; V258-L262 PolarHBondContact O-N 2.76Å; E260-L262 VanDerWaalsContact C-N 3.32Å; E260-L262 PolarHBondContact O-N 2.9Å
263K98.1Very high96.1Very high155 Ų15557.5 Ų57.567%0.67431%0.308SS*.THydrogen-bonded Turntrans-105.55.1179.1-61.1166.1-171.9150.60112.4S259 E260 A261S259-K263 WeakPolarHBondContact O-CD 3.22Å; S259-K263 WeakPolarHBondContact O-CE 3.35Å; S259-K263 PolarHBondContact O-NZ 3.39Å; S259-K263 PolarHBondContact OG-NZ 2.87Å; E260-K263 PolarHBondContact O-N 3.15Å; A261-K263 PolarHBondContact O-N 2.84Å
264D98.6Very high96.6Very high9 Ų953.6 Ų53.65%0.04829%0.292CS..SBendtrans-68141.5-176.2-167.2-83.2000111.5L243 K246 E260 A261 Y266 F267L243-D264 HydrophobicContact CD1-CB 3.97Å; L243-D264 HydrophobicContact CD2-CB 4.35Å; K246-D264 IonicContact NZ-OD2 2.73Å; K246-D264 PolarHBondContact NZ-OD2 2.89Å; E260-D264 PolarHBondContact O-N 2.84Å; A261-D264 WeakPolarHBondContact O-CB 3.33Å; A261-D264 PolarHBondContact O-N 3.43Å; D264-Y266 PolarHBondContact O-N 3.41Å; D264-Y266 VanDerWaalsContact OD1-CB 3.31Å; D264-Y266 WeakPolarHBondContact OD1-CB 3.35Å; D264-Y266 PolarHBondContact OD1-N 3.11Å; D264-F267 HydrophobicContact CB-CD2 4.49Å; D264-F267 PolarHBondContact O-N 3.17Å; D264-F267 VanDerWaalsContact O-N 3.13Å
265P98.3Very high96.7Very high69 Ų6954.9 Ų54.945%0.44830%0.298SS..G310 helixtrans-50.7-29.3176.8-30.236.5000114.6F267 T268 T269P265-F267 PolarHBondContact O-N 2.96Å; P265-F267 VanDerWaalsContact O-N 3.08Å; P265-T268 CarbonylContact O-C 3.39Å; P265-T268 PolarHBondContact O-N 3.41Å; P265-T268 PolarHBondContact O-OG1 2.8Å; P265-T268 VanDerWaalsContact O-OG1 3.09Å; P265-T269 WeakPolarHBondContact O-CB 3.32Å; P265-T269 PolarHBondContact O-N 2.95Å; P265-T269 PolarHBondContact O-OG1 2.91Å; P265-T269 VanDerWaalsContact O-OG1 3.08Å
266Y98.5Very high96.7Very high0 Ų057.4 Ų57.40%031%0.313CS..G310 helixtrans-46.9-39.9176.1177.8-114.3000113.5E101 K105 F173 E239 A240 L243 D264E101-Y266 HydrophobicContact CG-CE2 3.97Å; E101-Y266 WeakPolarHBondContact CG-OH 3.21Å; E101-Y266 VanDerWaalsContact OE1-CE2 3.22Å; E101-Y266 WeakPolarHBondContact OE1-CE2 3.39Å; K105-Y266 HydrophobicContact CB-CE1 4.29Å; K105-Y266 HydrophobicContact CD-CE1 4.36Å; K105-Y266 HydrophobicContact CD-CE2 4.31Å; K105-Y266 WeakPolarHBondContact CD-O 3.47Å; K105-Y266 WeakPolarHBondContact CE-O 3.45Å; K105-Y266 HydrophobicContact CG-CD1 4.06Å; K105-Y266 HydrophobicContact CG-CE1 3.36Å; K105-Y266 HydrophobicContact CG-CE2 3.95Å; K105-Y266 WeakPolarHBondContact CG-OH 3.32Å; K105-Y266 PolarHBondContact NZ-O 3.08Å; F173-Y266 HydrophobicContact CE1-CD1 4.46Å; F173-Y266 HydrophobicContact CE1-CE1 4.16Å; F173-Y266 AromaticContact CE2-CE1 3.7Å; F173-Y266 HydrophobicContact CE2-CE1 3.7Å; F173-Y266 AromaticContact CE2-CZ 3.61Å; F173-Y266 VanDerWaalsContact CE2-OH 3.29Å; F173-Y266 WeakPolarHBondContact CE2-OH 3.42Å; F173-Y266 AromaticContact CZ-CD1 3.94Å; F173-Y266 HydrophobicContact CZ-CD1 3.94Å; F173-Y266 HydrophobicContact CZ-CD2 4.43Å; F173-Y266 AromaticContact CZ-CE1 3.28Å; F173-Y266 HydrophobicContact CZ-CE1 3.28Å; F173-Y266 AromaticContact CZ-CE2 3.88Å; F173-Y266 HydrophobicContact CZ-CE2 3.88Å; F173-Y266 HydrophobicContact CZ-CG 4.46Å; F173-Y266 AromaticContact CZ-CZ 3.27Å; F173-Y266 WeakPolarHBondContact CZ-OH 3.46Å; E239-Y266 HydrophobicContact CB-CD2 4.05Å; A240-Y266 HydrophobicContact CB-CD2 3.95Å; A240-Y266 HydrophobicContact CB-CE2 3.49Å; A240-Y266 VanDerWaalsContact CB-CE2 3.49Å; L243-Y266 HydrophobicContact CD2-CD1 3.54Å; L243-Y266 HydrophobicContact CD2-CE1 4.37Å; L243-Y266 HydrophobicContact CD2-CG 3.95Å; D264-Y266 PolarHBondContact O-N 3.41Å; D264-Y266 VanDerWaalsContact OD1-CB 3.31Å; D264-Y266 WeakPolarHBondContact OD1-CB 3.35Å; D264-Y266 PolarHBondContact OD1-N 3.11Å
267F98.5Very high96.5Very high15 Ų1561.3 Ų61.37%0.06634%0.341CS..G310 helixtrans-83.1-10.2-178.1-61.2-64.9000114.5K105 M108 L109 L112 L243 A261 D264 P265K105-F267 HydrophobicContact CB-CD1 4.37Å; K105-F267 HydrophobicContact CG-CD1 4.4Å; M108-F267 HydrophobicContact CB-CE1 3.81Å; M108-F267 HydrophobicContact CB-CZ 3.92Å; L109-F267 HydrophobicContact CD1-CD1 4.03Å; L109-F267 HydrophobicContact CD2-CB 4.26Å; L109-F267 HydrophobicContact CD2-CD1 3.57Å; L109-F267 HydrophobicContact CD2-CD2 4.09Å; L109-F267 HydrophobicContact CD2-CE1 3.85Å; L109-F267 HydrophobicContact CD2-CE2 4.34Å; L109-F267 HydrophobicContact CD2-CG 3.7Å; L109-F267 HydrophobicContact CD2-CZ 4.23Å; L109-F267 HydrophobicContact CG-CD1 3.5Å; L109-F267 HydrophobicContact CG-CE1 3.67Å; L109-F267 HydrophobicContact CG-CG 4.15Å; L109-F267 HydrophobicContact CG-CZ 4.44Å; L112-F267 HydrophobicContact CD1-CE2 3.65Å; L112-F267 HydrophobicContact CD1-CZ 3.54Å; L243-F267 HydrophobicContact CD2-CE2 3.82Å; L243-F267 HydrophobicContact CD2-CZ 3.99Å; A261-F267 WeakPolarHBondContact O-CD2 3.03Å; A261-F267 WeakPolarHBondContact O-CE2 3.49Å; D264-F267 HydrophobicContact CB-CD2 4.49Å; D264-F267 PolarHBondContact O-N 3.17Å; D264-F267 VanDerWaalsContact O-N 3.13Å; P265-F267 PolarHBondContact O-N 2.96Å; P265-F267 VanDerWaalsContact O-N 3.08Å
268T97.7Very high96.5Very high105 Ų10563.2 Ų63.264%0.64435%0.345SS*.THydrogen-bonded Turntrans-115.2-16.3-178.455.50000113.9P265P265-T268 CarbonylContact O-C 3.39Å; P265-T268 PolarHBondContact O-N 3.41Å; P265-T268 PolarHBondContact O-OG1 2.8Å; P265-T268 VanDerWaalsContact O-OG1 3.09Å
269T98Very high96.5Very high45 Ų4563.2 Ų63.228%0.27635%0.345SS..SBendtrans-81.4137174.3-60.40000109.9K105 E239 P265 P271K105-T269 PolarHBondContact NZ-O 3.46Å; E239-T269 HydrophobicContact CG-CG2 4.14Å; P265-T269 WeakPolarHBondContact O-CB 3.32Å; P265-T269 PolarHBondContact O-N 2.95Å; P265-T269 PolarHBondContact O-OG1 2.91Å; P265-T269 VanDerWaalsContact O-OG1 3.08Å; T269-P271 CarbonylContact O-C 3.51Å
270D97.2Very high96.3Very high128 Ų12862.7 Ų62.768%0.68434%0.341SS*.SBendtrans-61.4141.8174.8-79.1-49.2000111.8
271P96.6Very high95.2Very high46 Ų4664 Ų6430%0.29936%0.355SS..SBendcis-78.2141.1235.3-37.8000111.8E102 K105 T269E102-P271 HydrophobicContact CG-CB 3.48Å; E102-P271 VanDerWaalsContact CG-CB 3.48Å; E102-P271 HydrophobicContact CG-CG 3.68Å; E102-P271 VanDerWaalsContact OE1-CB 3.25Å; E102-P271 WeakPolarHBondContact OE1-CB 3.29Å; E102-P271 WeakPolarHBondContact OE1-CG 3.48Å; K105-P271 WeakPolarHBondContact CD-O 3.2Å; K105-P271 WeakPolarHBondContact CE-O 3.42Å; K105-P271 PolarHBondContact NZ-O 2.87Å; T269-P271 CarbonylContact O-C 3.51Å
272L97.9Very high93.9Very high95 Ų9565.9 Ų65.950%0.49737%0.367SS..PPolyproline II helixtrans-67162-179.4-66.4-179.3000112.3E102 A274E102-L272 WeakPolarHBondContact CB-O 3.22Å; E102-L272 WeakPolarHBondContact CG-O 3.35Å; L272-A274 PolarHBondContact O-N 3.28Å
273P98.2Very high92.2Very high39 Ų3969.5 Ų69.525%0.25339%0.391SS..PPolyproline II helixtrans-54.1136.6174.7-20.228.1000112.4K105 C106 L109K105-P273 HydrophobicContact CB-CB 3.88Å; K105-P273 HydrophobicContact CB-CG 3.98Å; C106-P273 HydrophobicContact CB-CB 4.46Å; L109-P273 HydrophobicContact CD1-CB 3.93Å; L109-P273 HydrophobicContact CD1-CG 3.55Å
274A97.4Very high90.1Very high12 Ų1265 Ų6510%0.09938%0.377CS..PPolyproline II helixtrans-61.7148.2177.500000111.4E102 Q103 C106 L272 E278E102-A274 HydrophobicContact CB-CB 3.85Å; E102-A274 PolarHBondContact O-N 2.92Å; Q103-A274 HydrophobicContact CG-CB 4.13Å; C106-A274 HydrophobicContact CB-CB 4.39Å; C106-A274 WeakPolarHBondContact CB-O 3.42Å; C106-A274 PolarHBondContact SG-O 2.73Å; L272-A274 PolarHBondContact O-N 3.28Å; A274-E278 HydrophobicContact CB-CB 4.16Å
275Q95.5Very high87.8Confident133 Ų13370.9 Ų70.962%0.62140%0.404SS*.PPolyproline II helixtrans-68.8154.8167.5-59.2-176.641.300110.2S277 E278Q275-S277 PolarHBondContact O-N 3.24Å; Q275-S277 VanDerWaalsContact O-N 3.15Å; Q275-E278 HydrophobicContact CB-CG 4.26Å; Q275-E278 WeakPolarHBondContact CB-OE2 3.42Å; Q275-E278 PolarHBondContact N-OE2 2.93Å; Q275-E278 WeakPolarHBondContact O-CB 3.48Å; Q275-E278 PolarHBondContact O-N 3.21Å
276L94.1Very high84.9Confident74 Ų7478.8 Ų78.839%0.38743%0.425SS..G310 helixtrans-56.8-34.5180-68.2177000113M110 V140 E278 L279M110-L276 HydrophobicContact CE-CD2 4.17Å; M110-L276 HydrophobicContact SD-CD2 3.99Å; V140-L276 HydrophobicContact CG2-CD1 3.85Å; L276-E278 PolarHBondContact O-N 3.46Å; L276-L279 HydrophobicContact CD2-CD1 3.85Å; L276-L279 WeakPolarHBondContact O-CB 3.5Å; L276-L279 PolarHBondContact O-N 3.39Å
277S91.4Very high81.8Confident98 Ų9885.7 Ų85.769%0.68546%0.462SS*.G310 helixtrans-69.1-14.3176.954.60000114.4Q275Q275-S277 PolarHBondContact O-N 3.24Å; Q275-S277 VanDerWaalsContact O-N 3.15Å
278E93Very high78.7Confident107 Ų10790.3 Ų90.350%0.549%0.491SS..G310 helixtrans-96.7-4.1178.6-59.6174.3123.500111.8Q103 A274 Q275 L276Q103-E278 PolarHBondContact NE2-O 2.86Å; A274-E278 HydrophobicContact CB-CB 4.16Å; Q275-E278 HydrophobicContact CB-CG 4.26Å; Q275-E278 WeakPolarHBondContact CB-OE2 3.42Å; Q275-E278 PolarHBondContact N-OE2 2.93Å; Q275-E278 WeakPolarHBondContact O-CB 3.48Å; Q275-E278 PolarHBondContact O-N 3.21Å; L276-E278 PolarHBondContact O-N 3.46Å
279L94.2Very high75.4Confident8 Ų892.3 Ų92.34%0.04250%0.497CS..SBendtrans-72.3150.4171.4-61.5-179.2000110.4Q103 C106 Y107 M110 G139 L276 V281Q103-L279 HydrophobicContact CB-CD2 4Å; Q103-L279 HydrophobicContact CG-CD2 4.09Å; C106-L279 HydrophobicContact CB-CD2 4.08Å; Y107-L279 HydrophobicContact CE1-CD1 3.98Å; Y107-L279 HydrophobicContact CE2-CD2 4.06Å; M110-L279 HydrophobicContact CE-CD1 3.96Å; G139-L279 VanDerWaalsContact O-CD1 3.32Å; G139-L279 WeakPolarHBondContact O-CD1 3.49Å; L276-L279 HydrophobicContact CD2-CD1 3.85Å; L276-L279 WeakPolarHBondContact O-CB 3.5Å; L276-L279 PolarHBondContact O-N 3.39Å; L279-V281 PolarHBondContact O-N 3.19Å
280P88.3Confident72.1Confident39 Ų3995.8 Ų95.825%0.25352%0.52SS..  trans-54.6126.2179.2-23.332.3000111.5V91 L99 V282V91-P280 HydrophobicContact CG1-CG 4.43Å; L99-P280 HydrophobicContact CD2-CG 3.5Å; L99-P280 VanDerWaalsContact CD2-CG 3.5Å; P280-V282 WeakPolarHBondContact O-CG2 3.35Å; P280-V282 PolarHBondContact O-N 3.35Å
281V73.3Confident69Low131 Ų13196.8 Ų96.879%0.79452%0.521SS*.  trans-74.1110.4176179.50000108.4L279L279-V281 PolarHBondContact O-N 3.19Å
282V69.2Low65.9Low39 Ų3999.6 Ų99.624%0.23654%0.539CS..  trans-94.7111179.3-167.10000109.2V85 T86 V91 P280V85-V282 WeakPolarHBondContact CG1-O 3.44Å; T86-V282 HydrophobicContact CG2-CB 3.79Å; T86-V282 HydrophobicContact CG2-CG1 3.69Å; T86-V282 HydrophobicContact CG2-CG2 3.85Å; V91-V282 HydrophobicContact CG2-CG2 3.75Å; P280-V282 WeakPolarHBondContact O-CG2 3.35Å; P280-V282 PolarHBondContact O-N 3.35Å
283T61.3Low62.9Low113 Ų113104.3 Ų104.369%0.69356%0.559SS**  trans-74.2131.3171.246.40000109.7H285T283-H285 PolarHBondContact O-N 2.96Å
284P54.5Low59.7Low59 Ų59108.2 Ų108.238%0.38357%0.574SS.*  trans-57133.9177.69-13.1000109.7V85 R286V85-P284 HydrophobicContact CG1-CB 3.92Å; V85-P284 HydrophobicContact CG1-CG 4.12Å; P284-R286 PolarHBondContact O-N 3.4Å
285H51.6Low56.7Low134 Ų134112.6 Ų112.662%0.6260%0.599SS**  trans-32100.8177.8-81.2-67.2000112.6E90 T283 N287E90-H285 IonicContact OE1-CD2 3.72Å; E90-H285 IonicContact OE1-CE1 3.95Å; E90-H285 PolarHBondContact OE1-CE1 2.99Å; E90-H285 IonicContact OE1-ND1 3.87Å; E90-H285 IonicContact OE1-NE2 2.88Å; E90-H285 PolarHBondContact OE1-NE2 3.06Å; E90-H285 IonicContact OE2-CD2 2.81Å; E90-H285 IonicContact OE2-CE1 3.71Å; E90-H285 IonicContact OE2-NE2 3.75Å; E90-H285 PolarHBondContact OE2-NE2 2.91Å; T283-H285 PolarHBondContact O-N 2.96Å; H285-N287 VanDerWaalsContact C-N 3.32Å; H285-N287 PolarHBondContact O-N 3.38Å
286R36.8Very low53.8Low235 Ų235114.2 Ų114.289%0.88760%0.601SS**  trans-79.490.9151-78.3-177.4175.9177.30.5104.8P284P284-R286 PolarHBondContact O-N 3.4Å
287N33Very low50.7Low144 Ų144117.7 Ų117.777%0.7762%0.615SS**  trans159.177.9148.7-77.1-21.3000112H285H285-N287 VanDerWaalsContact C-N 3.32Å; H285-N287 PolarHBondContact O-N 3.38Å
288T32.6Very low47.8Very low112 Ų112119 Ų11969%0.68762%0.618SS**  -121.9116.1118.451.80000105.2
289L28.5Very low44.9Very low147 Ų147119.7 Ų119.777%0.7763%0.634SS**  trans-43139.9160.5-78.2149.6000107.5H291L289-H291 PolarHBondContact O-N 3.26Å
290P30Very low41.9Very low118 Ų118124.1 Ų124.177%0.76666%0.657SS**  trans-54.8110.2171.523.3-29.6000105.9
291H32.1Very low39.2Very low149 Ų149127.4 Ų127.469%0.6968%0.677SS**  trans-50.9129.4163.3-84.1-71.4000105L289 Q293L289-H291 PolarHBondContact O-N 3.26Å; H291-Q293 PolarHBondContact O-N 3.12Å; H291-Q293 VanDerWaalsContact O-N 3.07Å
292P30Very low37.5Very low106 Ų106125.4 Ų125.469%0.68867%0.665SS**  trans-49.8126.6-174.221.5-31.3000106.3E294P292-E294 PolarHBondContact O-N 3.49Å
293Q36.1Very low35.8Very low193 Ų193127 Ų12790%0.90268%0.676SS**  trans-30.185-176.6-72.5175.9-34.200110.6H291 T295H291-Q293 PolarHBondContact O-N 3.12Å; H291-Q293 VanDerWaalsContact O-N 3.07Å; Q293-T295 PolarHBondContact O-N 3.31Å
294E31.8Very low34.5Very low122 Ų122124.2 Ų124.257%0.5766%0.656SS**  trans-70.4115.1169.6-88.9-173.1168.200100.7P292 Y296P292-E294 PolarHBondContact O-N 3.49Å; E294-Y296 HydrophobicContact CB-CE1 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.02Å; E294-Y296 WeakPolarHBondContact O-CD2 3.42Å; E294-Y296 PolarHBondContact O-N 2.63Å; E294-Y296 PolarHBondContact OE2-OH 2.88Å
295T32.5Very low33.7Very low103 Ų103128.4 Ų128.463%0.63267%0.671SS**  trans-54.683171.933.90000107.9Q293 E297Q293-T295 PolarHBondContact O-N 3.31Å; T295-E297 PolarHBondContact O-N 2.91Å
296Y34.6Very low33.1Very low168 Ų168126 Ų12666%0.65967%0.669SS**THydrogen-bonded Turntrans-68.315.3166.9-64.2-66.5000111.3E294E294-Y296 HydrophobicContact CB-CE1 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.02Å; E294-Y296 WeakPolarHBondContact O-CD2 3.42Å; E294-Y296 PolarHBondContact O-N 2.63Å; E294-Y296 PolarHBondContact OE2-OH 2.88Å
297E29.7Very low33Very low146 Ų146120.5 Ų120.568%0.68266%0.656SS**THydrogen-bonded Turntrans-83.3-5.1179-113.6178.1173.900113.8T295T295-E297 PolarHBondContact O-N 2.91Å
298V29.8Very low32.9Very low125 Ų125116.1 Ų116.176%0.75863%0.632SS**SBendtrans-95.61.8-168-172.60000114.7
299C33.5Very low33.1Very low123 Ų123122.4 Ų122.483%0.83164%0.644SS**SBendtrans-147.228.5174.5-136.90000115.7
300L29.6Very low33.5Very low100 Ų100120.3 Ų120.352%0.52463%0.633SS.*  trans-136.79.6-172.8-68.6172.4000114.9
301T33Very low33.9Very low109 Ų109121.8 Ų121.867%0.66963%0.629SS**  trans-99.915.6-171.953.80000115.1P303T301-P303 VanDerWaalsContact O-CD 3.28Å; T301-P303 WeakPolarHBondContact O-CD 3.49Å
302T36.9Very low34.5Very low89 Ų89121 Ų12155%0.54663%0.626SS.*SBendtrans-91.8108167.9-44.80000108.3L304 S306 I307T302-L304 PolarHBondContact O-N 3.41Å; T302-S306 WeakPolarHBondContact CG2-OG 3.3Å; T302-I307 HydrophobicContact CG2-CD1 4.12Å; T302-I307 HydrophobicContact CG2-CG1 4.35Å
303P34.5Very low35Very low71 Ų71120.8 Ų120.846%0.46162%0.618SS.*  trans-58.6137.7176.4-18.732.4000109.1T301 E305 S306T301-P303 VanDerWaalsContact O-CD 3.28Å; T301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-E305 HydrophobicContact CB-CB 4.3Å; P303-E305 PolarHBondContact O-N 3.48Å; P303-S306 PolarHBondContact O-N 3.11Å; P303-S306 PolarHBondContact O-OG 3.44Å; P303-S306 VanDerWaalsContact O-OG 3.06Å
304L34Very low35.2Very low55 Ų55115.4 Ų115.429%0.28860%0.596SS.*G310 helixtrans-53.5-28.8176.1-139.792.4000111.8G74 T302 S306 I307 L308G74-L304 WeakPolarHBondContact O-CD1 3.15Å; T302-L304 PolarHBondContact O-N 3.41Å; L304-S306 PolarHBondContact O-N 3.32Å; L304-I307 PolarHBondContact O-N 2.99Å; L304-I307 VanDerWaalsContact O-N 3.08Å; L304-L308 HydrophobicContact CD2-CD1 3.52Å; L304-L308 HydrophobicContact CG-CD1 3.94Å; L304-L308 PolarHBondContact O-N 2.82Å
305E37.2Very low35.7Very low148 Ų148117.5 Ų117.569%0.69260%0.603SS**G310 helixtrans-59.8-24.4176.2-65.2145.6-170.500113.7P303P303-E305 HydrophobicContact CB-CB 4.3Å; P303-E305 PolarHBondContact O-N 3.48Å
306S38Very low36.1Very low83 Ų83117.5 Ų117.558%0.5860%0.595SS**G310 helixtrans-86.9-10.7176.575.20000113.7T302 P303 L304T302-S306 WeakPolarHBondContact CG2-OG 3.3Å; P303-S306 PolarHBondContact O-N 3.11Å; P303-S306 PolarHBondContact O-OG 3.44Å; P303-S306 VanDerWaalsContact O-OG 3.06Å; L304-S306 PolarHBondContact O-N 3.32Å
307I34.9Very low36.5Very low120 Ų120111 Ų11162%0.61558%0.58SS**THydrogen-bonded Turntrans-108.3-24.9178.6-61.2176.7000111T302 L304T302-I307 HydrophobicContact CG2-CD1 4.12Å; T302-I307 HydrophobicContact CG2-CG1 4.35Å; L304-I307 PolarHBondContact O-N 2.99Å; L304-I307 VanDerWaalsContact O-N 3.08Å
308L31.9Very low37Very low51 Ų51108.5 Ų108.527%0.26757%0.574SS.*  trans-120.7104.9-179.6-69.9164.3000110.3L40 L304 N310 L313L40-L308 HydrophobicContact CD2-CD1 4.26Å; L304-L308 HydrophobicContact CD2-CD1 3.52Å; L304-L308 HydrophobicContact CG-CD1 3.94Å; L304-L308 PolarHBondContact O-N 2.82Å; L308-N310 PolarHBondContact O-N 2.91Å; L308-L313 HydrophobicContact CD2-CD1 4.25Å
309R35.7Very low37.5Very low245 Ų245109.2 Ų109.293%0.92557%0.567SS**SBendtrans-71.2-8.5174.5-85.3-173.2176.8-174.2-0.8114.4
310N37.2Very low37.9Very low102 Ų102108.3 Ų108.355%0.54555%0.553SS.*  trans-131.9108.1-174.7-76.9-20.5000112.1L308 E312 L313L308-N310 PolarHBondContact O-N 2.91Å; N310-E312 PolarHBondContact O-N 3.34Å; N310-L313 PolarHBondContact O-N 2.94Å
311H39.6Very low38.3Very low149 Ų149105.1 Ų105.169%0.6954%0.537SS*.THydrogen-bonded Turntrans-57.1-12167.6-115.9-77.3000113.7
312E43.5Very low38.6Very low133 Ų133104.9 Ų104.962%0.62153%0.532SS*.Hα-helixtrans-71.7-31-179.9-73.5-168.7144.900113.8N310 L314 K315 E316N310-E312 PolarHBondContact O-N 3.34Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 3.22Å; E312-K315 CarbonylContact O-C 3.54Å; E312-K315 PolarHBondContact O-N 3.43Å; E312-E316 WeakPolarHBondContact O-CB 3.35Å; E312-E316 PolarHBondContact O-N 3.24Å
313L41.2Very low38.9Very low101 Ų101104.4 Ų104.453%0.52953%0.525SS..Hα-helixtrans-65.5-28.5-176.9-77.1164.4000113.6L308 N310 G317L308-L313 HydrophobicContact CD2-CD1 4.25Å; N310-L313 PolarHBondContact O-N 2.94Å; L313-G317 PolarHBondContact O-N 3.32Å
314L40.7Very low39.1Very low81 Ų81106.9 Ų106.942%0.42453%0.531SS..Hα-helixtrans-75.8-37173.6-78.5163.3000111.7P72 E312 G317 V318P72-L314 HydrophobicContact CG-CD1 4.13Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 3.22Å; L314-G317 PolarHBondContact O-N 3.44Å; L314-V318 WeakPolarHBondContact O-CG2 3.38Å; L314-V318 PolarHBondContact O-N 2.82Å; L314-V318 VanDerWaalsContact O-N 3.09Å
315K41Very low39.2Very low165 Ų165107 Ų10772%0.71753%0.531SS*.Hα-helixtrans-71.2-36.6173.9-75-175.1176.2-179.70111.6E312 V318 K319E312-K315 CarbonylContact O-C 3.54Å; E312-K315 PolarHBondContact O-N 3.43Å; K315-V318 PolarHBondContact O-N 3.41Å; K315-K319 WeakPolarHBondContact O-CB 3.12Å; K315-K319 PolarHBondContact O-N 2.74Å
316E42.3Very low39.3Very low103 Ų103108.9 Ų108.948%0.48153%0.532SS..Hα-helixtrans-67.7-38.5171.2-78.4-174.9151.400111.5E312 V318 K319 L320E312-E316 WeakPolarHBondContact O-CB 3.35Å; E312-E316 PolarHBondContact O-N 3.24Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.45Å; E316-K319 PolarHBondContact O-N 2.71Å; E316-L320 HydrophobicContact CB-CD1 4.49Å; E316-L320 WeakPolarHBondContact O-CB 3.31Å; E316-L320 WeakPolarHBondContact O-CD1 3.25Å; E316-L320 VanDerWaalsContact O-CG 3.22Å; E316-L320 WeakPolarHBondContact O-CG 3.46Å; E316-L320 PolarHBondContact O-N 2.6Å
317G41.9Very low39.3Very low32 Ų32110.3 Ų110.333%0.3353%0.533SS..Hα-helixtrans-57.2-46171.300000111.9L313 L314 L321L313-G317 PolarHBondContact O-N 3.32Å; L314-G317 PolarHBondContact O-N 3.44Å; G317-L321 VanDerWaalsContact O-CB 3.32Å; G317-L321 WeakPolarHBondContact O-CB 3.14Å; G317-L321 VanDerWaalsContact O-CD1 3.22Å; G317-L321 WeakPolarHBondContact O-CD1 3.3Å; G317-L321 WeakPolarHBondContact O-CG 3.35Å; G317-L321 PolarHBondContact O-N 3.33Å
318V39.9Very low39.3Very low93 Ų93108.4 Ų108.456%0.56453%0.531SS*.Hα-helixtrans-69.3-30.61761770000113.1L314 K315 E316 L321 D322L314-V318 WeakPolarHBondContact O-CG2 3.38Å; L314-V318 PolarHBondContact O-N 2.82Å; L314-V318 VanDerWaalsContact O-N 3.09Å; K315-V318 PolarHBondContact O-N 3.41Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.45Å; V318-L321 WeakPolarHBondContact O-CB 3.42Å; V318-D322 PolarHBondContact O-N 3.42Å
319K41.8Very low39.5Very low141 Ų141111.4 Ų111.461%0.61355%0.546SS*.Hα-helixtrans-85.1-35.7-180-158.7-179.9-177.5-169.10113.2K315 E316 L321 D322 D323K315-K319 WeakPolarHBondContact O-CB 3.12Å; K315-K319 PolarHBondContact O-N 2.74Å; E316-K319 PolarHBondContact O-N 2.71Å; K319-L321 PolarHBondContact O-N 3.3Å; K319-D322 WeakPolarHBondContact O-CB 3.44Å; K319-D322 PolarHBondContact O-N 3.21Å; K319-D322 VanDerWaalsContact O-N 3.15Å; K319-D323 PolarHBondContact O-N 3.07Å
320L40.9Very low39.5Very low103 Ų103106.1 Ų106.154%0.53954%0.536SS..Hα-helixtrans-62.6-33.2166-74.1163.3000110.2E316 D322 D323 E324E316-L320 HydrophobicContact CB-CD1 4.49Å; E316-L320 WeakPolarHBondContact O-CB 3.31Å; E316-L320 WeakPolarHBondContact O-CD1 3.25Å; E316-L320 VanDerWaalsContact O-CG 3.22Å; E316-L320 WeakPolarHBondContact O-CG 3.46Å; E316-L320 PolarHBondContact O-N 2.6Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.5Å; L320-D323 PolarHBondContact O-N 3.4Å; L320-E324 WeakPolarHBondContact O-CB 3.45Å; L320-E324 PolarHBondContact O-N 3.16Å
321L38.9Very low39.3Very low33 Ų33108.2 Ų108.217%0.17355%0.548CS..Hα-helixtrans-62.6-34.8171.3-81.7163000113.1L49 G317 V318 K319 L325L49-L321 HydrophobicContact CD1-CD2 3.91Å; L49-L321 HydrophobicContact CD2-CD1 3.9Å; L49-L321 HydrophobicContact CD2-CD2 3.62Å; L49-L321 HydrophobicContact CD2-CG 4.4Å; L49-L321 HydrophobicContact CG-CD2 4.27Å; G317-L321 VanDerWaalsContact O-CB 3.32Å; G317-L321 WeakPolarHBondContact O-CB 3.14Å; G317-L321 VanDerWaalsContact O-CD1 3.22Å; G317-L321 WeakPolarHBondContact O-CD1 3.3Å; G317-L321 WeakPolarHBondContact O-CG 3.35Å; G317-L321 PolarHBondContact O-N 3.33Å; V318-L321 WeakPolarHBondContact O-CB 3.42Å; K319-L321 PolarHBondContact O-N 3.3Å; L321-L325 WeakPolarHBondContact O-CB 3.44Å; L321-L325 WeakPolarHBondContact O-CD1 3.21Å
322D38.9Very low38.9Very low105 Ų105106.1 Ų106.156%0.56155%0.55SS*.Hα-helixtrans-74.9-38.3173.6-76.2-24.9000112.1V318 K319 L320 L325V318-D322 PolarHBondContact O-N 3.42Å; K319-D322 WeakPolarHBondContact O-CB 3.44Å; K319-D322 PolarHBondContact O-N 3.21Å; K319-D322 VanDerWaalsContact O-N 3.15Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.5Å; D322-L325 WeakPolarHBondContact O-CB 3.37Å
323D42.2Very low38.1Very low78 Ų78106.5 Ų106.542%0.41756%0.561SS.*Hα-helixtrans-80.1-34.8-177.8-76.7-31.9000113.4K319 L320 L325 R326 N327K319-D323 PolarHBondContact O-N 3.07Å; L320-D323 PolarHBondContact O-N 3.4Å; D323-L325 VanDerWaalsContact C-N 3.26Å; D323-L325 PolarHBondContact O-N 3.2Å; D323-R326 PolarHBondContact O-N 3.21Å; D323-N327 PolarHBondContact O-N 3.4Å
324E39.3Very low37.5Very low124 Ų124105.3 Ų105.358%0.57957%0.573SS**Hα-helixtrans-66.6-29.5169.2-82-173.8160.300111.6L320 R326 N327 S328L320-E324 WeakPolarHBondContact O-CB 3.45Å; L320-E324 PolarHBondContact O-N 3.16Å; E324-R326 PolarHBondContact O-N 2.94Å; E324-N327 CarbonylContact O-C 3.57Å; E324-N327 PolarHBondContact O-N 3.47Å; E324-N327 VanDerWaalsContact O-N 3.12Å; E324-S328 VanDerWaalsContact O-CB 3.3Å; E324-S328 WeakPolarHBondContact O-CB 3.27Å; E324-S328 PolarHBondContact O-N 3.35Å; E324-S328 PolarHBondContact O-OG 2.81Å
325L35.6Very low36.9Very low56 Ų56104.6 Ų104.629%0.29357%0.573SS.*Hα-helixtrans-64.6-29174.3-122.1140.6000112.5K53 F57 L321 D322 D323K53-L325 HydrophobicContact CD-CD1 4.02Å; K53-L325 VanDerWaalsContact CE-CD1 3.44Å; F57-L325 HydrophobicContact CZ-CD2 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.44Å; L321-L325 WeakPolarHBondContact O-CD1 3.21Å; D322-L325 WeakPolarHBondContact O-CB 3.37Å; D323-L325 VanDerWaalsContact C-N 3.26Å; D323-L325 PolarHBondContact O-N 3.2Å
326R39.3Very low36Very low189 Ų189103.4 Ų103.471%0.71358%0.579SS**Hα-helixtrans-74.7-31.2171.7-84.5178168.7167-2.5113D323 E324D323-R326 PolarHBondContact O-N 3.21Å; E324-R326 PolarHBondContact O-N 2.94Å
327N38.3Very low35.2Very low112 Ų112105.5 Ų105.560%0.59959%0.593SS**Hα-helixtrans-95-24-176-66.9-26.7000113.3D323 E324 L329 D330D323-N327 PolarHBondContact O-N 3.4Å; E324-N327 CarbonylContact O-C 3.57Å; E324-N327 PolarHBondContact O-N 3.47Å; E324-N327 VanDerWaalsContact O-N 3.12Å; N327-L329 PolarHBondContact O-N 3.13Å; N327-D330 PolarHBondContact O-N 3.43Å; N327-D330 VanDerWaalsContact O-N 3.17Å
328S35.1Very low34.6Very low80 Ų80115.5 Ų115.556%0.55963%0.634SS**THydrogen-bonded Turntrans-76.4-5.4177.669.90000113.8E324E324-S328 VanDerWaalsContact O-CB 3.3Å; E324-S328 WeakPolarHBondContact O-CB 3.27Å; E324-S328 PolarHBondContact O-N 3.35Å; E324-S328 PolarHBondContact O-OG 2.81Å
329L36.2Very low34.3Very low114 Ų114116.6 Ų116.660%0.59764%0.637SS**THydrogen-bonded Turntrans-72.1-11.9166.8-73163.1000112.1N327N327-L329 PolarHBondContact O-N 3.13Å
330D36.2Very low33.9Very low134 Ų134115.3 Ų115.372%0.71764%0.639SS**SBendtrans-104.7-12.3-176.4-90.9-20.7000114.9N327 S332N327-D330 PolarHBondContact O-N 3.43Å; N327-D330 VanDerWaalsContact O-N 3.17Å; D330-S332 PolarHBondContact O-N 2.95Å; D330-S332 VanDerWaalsContact O-N 3.12Å
331D32.9Very low33.5Very low146 Ų146116 Ų11678%0.78164%0.644SS**  trans-93.474.1-175.5-92.8-18.4000113.2T333D331-T333 PolarHBondContact O-N 3.29Å
332S29.8Very low33.2Very low105 Ų105120.9 Ų120.973%0.73467%0.672SS**  trans-72.896.8157.863.20000109.3D330D330-S332 PolarHBondContact O-N 2.95Å; D330-S332 VanDerWaalsContact O-N 3.12Å
333T28.6Very low32.9Very low141 Ų141121.9 Ų121.987%0.86568%0.679SS**  trans175.6129.1145.929.10000111D331D331-T333 PolarHBondContact O-N 3.29Å
334G27Very low32.2Very low76 Ų76124.8 Ų124.878%0.78470%0.696SS**  trans108.180.316200000115.3
335V27.8Very low31.7Very low67 Ų67124.9 Ų124.941%0.40671%0.705SS.*  trans-123.8100.3155.2-176.70000108.3L337V335-L337 HydrophobicContact CG1-CG 4.41Å; V335-L337 PolarHBondContact O-N 2.91Å
336T22.2Very low31.4Very low140 Ų140130.2 Ų130.286%0.85974%0.736SS**  trans-62.8112.2155.3-52.30000107.4
337L26.7Very low30.8Very low146 Ų146125.3 Ų125.376%0.76474%0.738SS**  trans-83.4117.7169.4-90.9145.9000107.9V335V335-L337 HydrophobicContact CG1-CG 4.41Å; V335-L337 PolarHBondContact O-N 2.91Å
338M28.7Very low30.1Very low242 Ų242126.5 Ų126.5100%1.19275%0.751SS**  trans-68.80149.1-73.2-179.3174.100109.2

Retrieved 338 of 338 residues in 227.5 ms (Link to these results)

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