A0A5K4F0P0_SCHMA Loading...

DFP domain-containing protein

AlphaFold DB (A0A5K4F093), UniProt , Accession A0A5K4F0P0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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
1M52.4Low83.4Confident180 Ų18064.2 Ų64.289%0.88733%0.33SS*.  0133.50-151.8170.6-153.900107.5L3 D5 D9M1-L3 PolarHBondContact O-N 3.37Å; M1-D5 HydrophobicContact CG-CB 4.28Å; M1-D9 WeakPolarHBondContact CE-OD2 3.32Å
2N74.7Confident83.9Confident80 Ų8062.4 Ų62.443%0.42832%0.319SS..  trans-61.2135.8174.3-175.6-19.6000108.4L4 D5 S6N2-L4 PolarHBondContact O-N 2.9Å; N2-L4 VanDerWaalsContact O-N 3.1Å; N2-L4 PolarHBondContact OD1-N 3.17Å; N2-D5 HydrophobicContact CB-CB 4.32Å; N2-D5 PolarHBondContact O-N 2.93Å; N2-S6 PolarHBondContact O-N 2.66Å; N2-S6 VanDerWaalsContact O-N 3.14Å
3L82.6Confident84.3Confident158 Ų15867.2 Ų67.283%0.82734%0.343SS*.Hα-helixtrans-52.8-33.7178.1-154.6112.2000111.2M1 W7M1-L3 PolarHBondContact O-N 3.37Å; L3-W7 PolarHBondContact O-N 2.97Å; L3-W7 VanDerWaalsContact O-N 3.09Å
4L85.3Confident84.4Confident26 Ų2666.3 Ų66.314%0.13634%0.337CS..Hα-helixtrans-70.9-37.8176.4-176.251000113.5N2 W7 L8 P285 V287 L290N2-L4 PolarHBondContact O-N 2.9Å; N2-L4 VanDerWaalsContact O-N 3.1Å; N2-L4 PolarHBondContact OD1-N 3.17Å; L4-W7 HydrophobicContact CD1-CD2 4.49Å; L4-W7 HydrophobicContact CD1-CE3 3.55Å; L4-W7 HydrophobicContact CD1-CZ3 3.98Å; L4-W7 PolarHBondContact O-N 3.02Å; L4-L8 HydrophobicContact CD1-CD1 4.4Å; L4-L8 HydrophobicContact CD1-CG 4.41Å; L4-L8 HydrophobicContact CG-CD1 4.31Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.42Å; L4-P285 HydrophobicContact CD1-CB 3.35Å; L4-P285 HydrophobicContact CD1-CG 3.8Å; L4-P285 HydrophobicContact CD2-CB 4.06Å; L4-P285 HydrophobicContact CG-CB 4.37Å; L4-V287 HydrophobicContact CD2-CG1 4.41Å; L4-L290 HydrophobicContact CB-CD1 4.25Å; L4-L290 HydrophobicContact CD2-CD1 3.34Å; L4-L290 HydrophobicContact CD2-CG 3.98Å; L4-L290 HydrophobicContact CG-CD1 3.58Å
5D84.7Confident84.2Confident18 Ų1862.7 Ų62.710%0.09632%0.319CS..Hα-helixtrans-65-43.9174.8-87.6-55.8000110.8M1 N2 W7 L8 D9 R202M1-D5 HydrophobicContact CG-CB 4.28Å; N2-D5 HydrophobicContact CB-CB 4.32Å; N2-D5 PolarHBondContact O-N 2.93Å; D5-W7 VanDerWaalsContact C-N 3.28Å; D5-W7 PolarHBondContact O-N 3.49Å; D5-L8 PolarHBondContact O-N 2.83Å; D5-L8 VanDerWaalsContact O-N 3.17Å; D5-D9 PolarHBondContact O-N 3Å; D5-R202 IonicContact OD1-CZ 2.68Å; D5-R202 IonicContact OD1-NE 3.36Å; D5-R202 PolarHBondContact OD1-NE 3.31Å; D5-R202 IonicContact OD1-NH2 3.54Å; D5-R202 PolarHBondContact OD1-NH2 3.29Å
6S86.9Confident83.5Confident64 Ų6463.1 Ų63.145%0.44833%0.33SS..Hα-helixtrans-62.8-36.3177.2179.50000112.1N2 K10N2-S6 PolarHBondContact O-N 2.66Å; N2-S6 VanDerWaalsContact O-N 3.14Å; S6-K10 PolarHBondContact O-N 3.19Å
7W88.2Confident82.7Confident41 Ų4164.2 Ų64.216%0.15534%0.344CS..Hα-helixtrans-66.1-43.2173.517875.4000112.1L3 L4 D5 K10 L11 L198 Y236 P285L3-W7 PolarHBondContact O-N 2.97Å; L3-W7 VanDerWaalsContact O-N 3.09Å; L4-W7 HydrophobicContact CD1-CD2 4.49Å; L4-W7 HydrophobicContact CD1-CE3 3.55Å; L4-W7 HydrophobicContact CD1-CZ3 3.98Å; L4-W7 PolarHBondContact O-N 3.02Å; D5-W7 VanDerWaalsContact C-N 3.28Å; D5-W7 PolarHBondContact O-N 3.49Å; W7-K10 WeakPolarHBondContact O-CB 3.31Å; W7-K10 PolarHBondContact O-N 2.83Å; W7-L11 HydrophobicContact CD2-CD1 3.98Å; W7-L11 HydrophobicContact CD2-CG 4.35Å; W7-L11 HydrophobicContact CE3-CD1 3.94Å; W7-L11 HydrophobicContact CH2-CD1 3.58Å; W7-L11 HydrophobicContact CZ2-CD1 3.55Å; W7-L11 HydrophobicContact CZ2-CG 4.34Å; W7-L11 HydrophobicContact CZ3-CD1 3.77Å; W7-L11 WeakPolarHBondContact O-CG 3.26Å; W7-L11 PolarHBondContact O-N 3.01Å; W7-L198 HydrophobicContact CH2-CD1 3.55Å; W7-L198 HydrophobicContact CZ3-CD1 3.79Å; W7-Y236 HydrophobicContact CZ2-CD2 4.49Å; W7-Y236 HydrophobicContact CZ2-CE1 4.15Å; W7-Y236 AromaticContact CZ2-CE2 3.73Å; W7-Y236 HydrophobicContact CZ2-CE2 3.73Å; W7-Y236 AromaticContact CZ2-CZ 3.55Å; W7-Y236 PolarHBondContact NE1-OH 3.27Å; W7-P285 HydrophobicContact CD2-CG 4.49Å; W7-P285 HydrophobicContact CE3-CG 4.06Å; W7-P285 HydrophobicContact CH2-CG 3.89Å; W7-P285 HydrophobicContact CZ2-CG 4.37Å; W7-P285 HydrophobicContact CZ3-CB 4.33Å; W7-P285 HydrophobicContact CZ3-CG 3.73Å
8L91.4Very high81.7Confident0 Ų067.2 Ų67.20%035%0.35CS..Hα-helixtrans-64.8-38.9175.7-70.2166.8000112.1L4 D5 K10 L11 E12 L198 L290 W295L4-L8 HydrophobicContact CD1-CD1 4.4Å; L4-L8 HydrophobicContact CD1-CG 4.41Å; L4-L8 HydrophobicContact CG-CD1 4.31Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.42Å; D5-L8 PolarHBondContact O-N 2.83Å; D5-L8 VanDerWaalsContact O-N 3.17Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-L11 HydrophobicContact CD2-CD1 4.44Å; L8-L11 PolarHBondContact O-N 2.83Å; L8-E12 WeakPolarHBondContact O-CB 3.48Å; L8-E12 PolarHBondContact O-N 2.93Å; L8-L198 HydrophobicContact CD2-CB 3.95Å; L8-L290 HydrophobicContact CD1-CD1 4.39Å; L8-W295 HydrophobicContact CD1-CH2 3.67Å; L8-W295 HydrophobicContact CD1-CZ2 3.4Å; L8-W295 VanDerWaalsContact CD1-CZ2 3.4Å
9D91.1Very high80.8Confident41 Ų4167.1 Ų67.122%0.21935%0.347CS..Hα-helixtrans-63.3-41.4174.8-62.3-23000110.9M1 D5 E12 I13 R202M1-D9 WeakPolarHBondContact CE-OD2 3.32Å; D5-D9 PolarHBondContact O-N 3Å; D9-E12 PolarHBondContact O-N 3.11Å; D9-I13 VanDerWaalsContact O-CG1 3.32Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.34Å; D9-R202 IonicContact OD1-CZ 2.79Å; D9-R202 VanDerWaalsContact OD1-CZ 3.24Å; D9-R202 IonicContact OD1-NH1 2.88Å; D9-R202 PolarHBondContact OD1-NH1 3.02Å; D9-R202 IonicContact OD1-NH2 2.82Å; D9-R202 PolarHBondContact OD1-NH2 3.05Å
10K90.7Very high79.8Confident91 Ų9170.6 Ų70.640%0.39637%0.366SS..Hα-helixtrans-60.3-47.2173.3178.9179.1171-178.90111.1S6 W7 L8 E12 I13 E14 E240S6-K10 PolarHBondContact O-N 3.19Å; W7-K10 WeakPolarHBondContact O-CB 3.31Å; W7-K10 PolarHBondContact O-N 2.83Å; L8-K10 VanDerWaalsContact C-N 3.34Å; K10-E12 VanDerWaalsContact C-N 3.29Å; K10-E12 PolarHBondContact O-N 3.21Å; K10-I13 PolarHBondContact O-N 3.39Å; K10-E14 WeakPolarHBondContact CE-OE1 3.35Å; K10-E14 HydrophobicContact CG-CG 4.48Å; K10-E14 IonicContact NZ-OE1 3.89Å; K10-E14 WeakPolarHBondContact O-CG 3.24Å; K10-E14 PolarHBondContact O-N 2.76Å; K10-E240 IonicContact NZ-OE2 3.64Å
11L89.9Confident79.7Confident7 Ų772.3 Ų72.34%0.03738%0.376CS..Hα-helixtrans-61.1-38.8177.2-69.6-178.3000112.1W7 L8 E14 N15 E195 I199W7-L11 HydrophobicContact CD2-CD1 3.98Å; W7-L11 HydrophobicContact CD2-CG 4.35Å; W7-L11 HydrophobicContact CE3-CD1 3.94Å; W7-L11 HydrophobicContact CH2-CD1 3.58Å; W7-L11 HydrophobicContact CZ2-CD1 3.55Å; W7-L11 HydrophobicContact CZ2-CG 4.34Å; W7-L11 HydrophobicContact CZ3-CD1 3.77Å; W7-L11 WeakPolarHBondContact O-CG 3.26Å; W7-L11 PolarHBondContact O-N 3.01Å; L8-L11 HydrophobicContact CD2-CD1 4.44Å; L8-L11 PolarHBondContact O-N 2.83Å; L11-E14 PolarHBondContact O-N 3.15Å; L11-N15 WeakPolarHBondContact O-CB 3.5Å; L11-N15 PolarHBondContact O-N 3.11Å; L11-N15 PolarHBondContact O-ND2 3.38Å; L11-E195 HydrophobicContact CD1-CG 4.25Å; L11-E195 HydrophobicContact CD2-CG 3.93Å; L11-I199 HydrophobicContact CB-CD1 3.84Å; L11-I199 HydrophobicContact CB-CG1 4.13Å
12E89.3Confident81.2Confident43 Ų4368.8 Ų68.820%0.20135%0.353CS..Hα-helixtrans-64.7-41178.2-170.4170.9-179.700111.6L8 D9 K10 S16 R22 I199 R202L8-E12 WeakPolarHBondContact O-CB 3.48Å; L8-E12 PolarHBondContact O-N 2.93Å; D9-E12 PolarHBondContact O-N 3.11Å; K10-E12 VanDerWaalsContact C-N 3.29Å; K10-E12 PolarHBondContact O-N 3.21Å; E12-S16 PolarHBondContact O-N 3.36Å; E12-S16 VanDerWaalsContact O-N 3.14Å; E12-R22 IonicContact OE1-CZ 2.67Å; E12-R22 IonicContact OE1-NH1 2.62Å; E12-R22 PolarHBondContact OE1-NH1 2.76Å; E12-R22 IonicContact OE1-NH2 3.77Å; E12-R22 PolarHBondContact OE1-NH2 2.87Å; E12-I199 HydrophobicContact CB-CD1 4.47Å; E12-I199 HydrophobicContact CB-CG1 4.49Å; E12-I199 HydrophobicContact CB-CG2 4.19Å; E12-I199 HydrophobicContact CG-CG2 4Å; E12-R202 IonicContact OE2-NH1 3.35Å
13I88.3Confident81.8Confident124 Ų12471.5 Ų71.564%0.63637%0.367SS*.Hα-helixtrans-65.1-46.4174.6-66.3164000110.8D9 K10 N15 S16D9-I13 VanDerWaalsContact O-CG1 3.32Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.34Å; K10-I13 PolarHBondContact O-N 3.39Å; I13-N15 VanDerWaalsContact C-N 3.28Å; I13-N15 PolarHBondContact O-N 2.84Å; I13-S16 WeakPolarHBondContact O-CB 3.45Å; I13-S16 PolarHBondContact O-N 2.69Å; I13-S16 PolarHBondContact O-OG 2.99Å
14E85.7Confident82.1Confident55 Ų5568.5 Ų68.526%0.25735%0.352SS..Hα-helixtrans-65.1-30.2-178.2-74.1179.3-177.600113.4K10 L11 R239K10-E14 WeakPolarHBondContact CE-OE1 3.35Å; K10-E14 HydrophobicContact CG-CG 4.48Å; K10-E14 IonicContact NZ-OE1 3.89Å; K10-E14 WeakPolarHBondContact O-CG 3.24Å; K10-E14 PolarHBondContact O-N 2.76Å; L11-E14 PolarHBondContact O-N 3.15Å; E14-R239 WeakPolarHBondContact OE2-CD 3.23Å
15N81.5Confident82.4Confident12 Ų1269.2 Ų69.26%0.06436%0.355CS..THydrogen-bonded Turntrans-97.12.2179.4-68.2-61.8000113.8L11 I13 S17 R18 H19 I199L11-N15 WeakPolarHBondContact O-CB 3.5Å; L11-N15 PolarHBondContact O-N 3.11Å; L11-N15 PolarHBondContact O-ND2 3.38Å; I13-N15 VanDerWaalsContact C-N 3.28Å; I13-N15 PolarHBondContact O-N 2.84Å; N15-S17 PolarHBondContact O-N 3.35Å; N15-S17 VanDerWaalsContact O-N 3.1Å; N15-R18 WeakPolarHBondContact O-CB 3.49Å; N15-R18 PolarHBondContact O-N 3.09Å; N15-H19 PolarHBondContact O-CD2 2.89Å; N15-H19 PolarHBondContact O-N 3Å; N15-I199 HydrophobicContact CB-CD1 4.34Å
16S74.2Confident82.8Confident70 Ų7071.5 Ų71.549%0.4937%0.365SS..G310 helixtrans-51.5-37.5-177.556.10000114.1E12 I13 R18 H19E12-S16 PolarHBondContact O-N 3.36Å; E12-S16 VanDerWaalsContact O-N 3.14Å; I13-S16 WeakPolarHBondContact O-CB 3.45Å; I13-S16 PolarHBondContact O-N 2.69Å; I13-S16 PolarHBondContact O-OG 2.99Å; S16-R18 VanDerWaalsContact C-N 3.27Å; S16-R18 PolarHBondContact O-N 3.42Å; S16-H19 CarbonylContact O-C 3.5Å; S16-H19 WeakPolarHBondContact O-CA 3.47Å; S16-H19 PolarHBondContact O-N 3.45Å
17S68.9Low83.2Confident81 Ų8174.6 Ų74.657%0.56637%0.372SS*.G310 helixtrans-64.5-26.6177.961.60000114.1N15 H19 N20N15-S17 PolarHBondContact O-N 3.35Å; N15-S17 VanDerWaalsContact O-N 3.1Å; S17-H19 VanDerWaalsContact C-N 3.33Å; S17-N20 PolarHBondContact O-ND2 2.88Å
18R65.7Low83.6Confident119 Ų11978.2 Ų78.245%0.44939%0.386SS..G310 helixtrans-79.3-19.1173.2-65.2-177.2174.7-169.9-1.3112.2N15 S16N15-R18 WeakPolarHBondContact O-CB 3.49Å; N15-R18 PolarHBondContact O-N 3.09Å; S16-R18 VanDerWaalsContact C-N 3.27Å; S16-R18 PolarHBondContact O-N 3.42Å
19H64Low83.9Confident65 Ų6578.2 Ų78.230%0.30139%0.386SS..G310 helixtrans-103.324.4-177.4-59.9-60.6000113.6N15 S16 S17 N21 R22N15-H19 PolarHBondContact O-CD2 2.89Å; N15-H19 PolarHBondContact O-N 3Å; S16-H19 CarbonylContact O-C 3.5Å; S16-H19 WeakPolarHBondContact O-CA 3.47Å; S16-H19 PolarHBondContact O-N 3.45Å; S17-H19 VanDerWaalsContact C-N 3.33Å; H19-N21 PolarHBondContact O-N 2.77Å; H19-R22 WeakPolarHBondContact O-CB 3.22Å; H19-R22 PolarHBondContact O-N 3.45Å
20N60.4Low84.2Confident136 Ų13678.9 Ų78.973%0.72739%0.389SS*.THydrogen-bonded Turntrans-53.4-11.8177.7-76.1-14.1000114.7S17S17-N20 PolarHBondContact O-ND2 2.88Å
21N79Confident84.5Confident108 Ų10878 Ų7858%0.57840%0.395SS*.THydrogen-bonded Turntrans-101.414.9175.3-70.9-30.8000114.4H19 D23 L24 M25H19-N21 PolarHBondContact O-N 2.77Å; N21-D23 VanDerWaalsContact C-N 3.33Å; N21-D23 PolarHBondContact O-N 3.27Å; N21-L24 WeakPolarHBondContact O-CB 3.19Å; N21-L24 PolarHBondContact O-N 3.29Å; N21-L24 VanDerWaalsContact O-N 3.08Å; N21-M25 HydrophobicContact CB-CG 4.49Å; N21-M25 WeakPolarHBondContact O-CG 3.42Å; N21-M25 PolarHBondContact O-N 3.32Å
22R82Confident84.9Confident105 Ų10578.6 Ų78.640%0.39640%0.397SS..Hα-helixtrans-53.5-46.1-175.4-174.2178.5-176.5151.66113.1E12 H19 L24 M25 E26E12-R22 IonicContact OE1-CZ 2.67Å; E12-R22 IonicContact OE1-NH1 2.62Å; E12-R22 PolarHBondContact OE1-NH1 2.76Å; E12-R22 IonicContact OE1-NH2 3.77Å; E12-R22 PolarHBondContact OE1-NH2 2.87Å; H19-R22 WeakPolarHBondContact O-CB 3.22Å; H19-R22 PolarHBondContact O-N 3.45Å; R22-L24 VanDerWaalsContact C-N 3.3Å; R22-L24 PolarHBondContact O-N 3.45Å; R22-M25 WeakPolarHBondContact O-CB 3.49Å; R22-M25 PolarHBondContact O-N 3.45Å; R22-M25 VanDerWaalsContact O-N 3.08Å; R22-E26 WeakPolarHBondContact O-CB 3.42Å; R22-E26 PolarHBondContact O-N 2.99Å
23D87.5Confident85.3Confident137 Ų13776.8 Ų76.873%0.73339%0.388SS*.Hα-helixtrans-61.4-40.7179.4-62.4-19.7000111.8N21 E26 H27N21-D23 VanDerWaalsContact C-N 3.33Å; N21-D23 PolarHBondContact O-N 3.27Å; D23-E26 PolarHBondContact O-N 3.4Å; D23-H27 WeakPolarHBondContact O-CB 3.32Å; D23-H27 PolarHBondContact O-N 3.46Å
24L90.7Very high85.6Confident96 Ų9675.3 Ų75.350%0.50338%0.381SS..Hα-helixtrans-66.2-39.6174.9179.263.3000111.4N21 R22 H27 R28N21-L24 WeakPolarHBondContact O-CB 3.19Å; N21-L24 PolarHBondContact O-N 3.29Å; N21-L24 VanDerWaalsContact O-N 3.08Å; R22-L24 VanDerWaalsContact C-N 3.3Å; R22-L24 PolarHBondContact O-N 3.45Å; L24-H27 PolarHBondContact O-N 2.87Å; L24-R28 WeakPolarHBondContact O-CB 3.28Å; L24-R28 VanDerWaalsContact O-CG 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.42Å; L24-R28 PolarHBondContact O-N 2.88Å
25M90.8Very high86.1Confident41 Ų4176.7 Ų76.720%0.20239%0.387CS..Hα-helixtrans-64-46176.8-57.1-137.972.700111.4N21 R22 R28 L29 L189 W203N21-M25 HydrophobicContact CB-CG 4.49Å; N21-M25 WeakPolarHBondContact O-CG 3.42Å; N21-M25 PolarHBondContact O-N 3.32Å; R22-M25 WeakPolarHBondContact O-CB 3.49Å; R22-M25 PolarHBondContact O-N 3.45Å; R22-M25 VanDerWaalsContact O-N 3.08Å; M25-R28 PolarHBondContact O-N 3.25Å; M25-L29 WeakPolarHBondContact O-CB 3.35Å; M25-L29 PolarHBondContact O-N 3.25Å; M25-L189 HydrophobicContact CE-CD1 3.1Å; M25-L189 HydrophobicContact SD-CD1 3.79Å; M25-W203 HydrophobicContact CB-CH2 4.43Å
26E93.3Very high86.9Confident65 Ų6576.2 Ų76.230%0.30438%0.384SS..Hα-helixtrans-63.3-43.1177.8-174.3166.716300110.9R22 D23 R28 L29 N30 W203R22-E26 WeakPolarHBondContact O-CB 3.42Å; R22-E26 PolarHBondContact O-N 2.99Å; D23-E26 PolarHBondContact O-N 3.4Å; E26-R28 PolarHBondContact O-N 2.68Å; E26-L29 PolarHBondContact O-N 3.06Å; E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.42Å; E26-N30 VanDerWaalsContact O-CG 3.25Å; E26-N30 PolarHBondContact O-N 3.15Å; E26-N30 PolarHBondContact O-ND2 2.99Å; E26-W203 HydrophobicContact CB-CZ2 4.22Å
27H95.3Very high87.9Confident130 Ų13074.9 Ų74.960%0.60237%0.371SS*.Hα-helixtrans-60.5-44.4174.1-174.767.9000112.6D23 L24 N30 S31D23-H27 WeakPolarHBondContact O-CB 3.32Å; D23-H27 PolarHBondContact O-N 3.46Å; L24-H27 PolarHBondContact O-N 2.87Å; H27-N30 PolarHBondContact O-N 2.65Å; H27-S31 VanDerWaalsContact O-CB 3.32Å; H27-S31 WeakPolarHBondContact O-CB 3.41Å; H27-S31 PolarHBondContact O-N 3.02Å
28R96.5Very high89.1Confident116 Ų11677.5 Ų77.544%0.43838%0.379SS..Hα-helixtrans-63.2-44.2176.7-75.2176.263.7-151.9-5.9111.8L24 M25 E26 S31 W32 F187L24-R28 WeakPolarHBondContact O-CB 3.28Å; L24-R28 VanDerWaalsContact O-CG 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.42Å; L24-R28 PolarHBondContact O-N 2.88Å; M25-R28 PolarHBondContact O-N 3.25Å; E26-R28 PolarHBondContact O-N 2.68Å; R28-S31 PolarHBondContact O-N 2.79Å; R28-W32 PolarHBondContact O-N 3.38Å; R28-F187 HydrophobicContact CB-CE2 3.98Å; R28-F187 HydrophobicContact CB-CZ 4.4Å
29L97.3Very high90.6Very high0 Ų073.6 Ų73.60%037%0.366CS..Hα-helixtrans-63.1-49.4178.1179.360000110.2M25 E26 S31 W32 L33 L89 F187 W203 Q207M25-L29 WeakPolarHBondContact O-CB 3.35Å; M25-L29 PolarHBondContact O-N 3.25Å; E26-L29 PolarHBondContact O-N 3.06Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 3.03Å; L29-W32 HydrophobicContact CD1-CE3 4.1Å; L29-W32 WeakPolarHBondContact O-CB 3.35Å; L29-W32 PolarHBondContact O-N 3.01Å; L29-W32 VanDerWaalsContact O-N 3.14Å; L29-L33 HydrophobicContact CD1-CD1 4.08Å; L29-L33 HydrophobicContact CD1-CG 4.08Å; L29-L33 HydrophobicContact CD2-CD1 4.44Å; L29-L33 HydrophobicContact CG-CD1 3.75Å; L29-L33 HydrophobicContact CG-CG 4.24Å; L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 VanDerWaalsContact O-CG 3.23Å; L29-L33 WeakPolarHBondContact O-CG 3.49Å; L29-L33 PolarHBondContact O-N 3.08Å; L29-L89 HydrophobicContact CD1-CD1 3.88Å; L29-F187 HydrophobicContact CB-CE1 4.45Å; L29-F187 HydrophobicContact CB-CE2 4.25Å; L29-F187 HydrophobicContact CB-CZ 3.88Å; L29-F187 HydrophobicContact CD1-CD1 4.18Å; L29-F187 HydrophobicContact CD1-CE1 4.02Å; L29-F187 HydrophobicContact CD1-CE2 4.47Å; L29-F187 HydrophobicContact CD1-CG 4.46Å; L29-F187 HydrophobicContact CD1-CZ 4.17Å; L29-W203 HydrophobicContact CB-CH2 4.25Å; L29-W203 HydrophobicContact CD2-CH2 3.49Å; L29-W203 VanDerWaalsContact CD2-CH2 3.49Å; L29-W203 HydrophobicContact CD2-CZ2 4.06Å; L29-W203 HydrophobicContact CD2-CZ3 3.89Å; L29-W203 HydrophobicContact CG-CH2 4.5Å; L29-Q207 HydrophobicContact CD2-CB 3.89Å; L29-Q207 HydrophobicContact CD2-CG 4.04Å
30N96.7Very high92.1Very high56 Ų5676 Ų7630%0.29939%0.387SS..Hα-helixtrans-60.8-40.4178.6-73-24.8000112.5E26 H27 L33 N34E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.42Å; E26-N30 VanDerWaalsContact O-CG 3.25Å; E26-N30 PolarHBondContact O-N 3.15Å; E26-N30 PolarHBondContact O-ND2 2.99Å; H27-N30 PolarHBondContact O-N 2.65Å; N30-L33 PolarHBondContact O-N 2.97Å; N30-N34 WeakPolarHBondContact O-CB 3.24Å; N30-N34 PolarHBondContact O-N 3Å; N30-N34 PolarHBondContact O-ND2 3.14Å
31S97.7Very high93.8Very high73 Ų7373.3 Ų73.351%0.5138%0.376SS..Hα-helixtrans-61.4-44.8174.2-177.60000112H27 R28 L29 K35H27-S31 VanDerWaalsContact O-CB 3.32Å; H27-S31 WeakPolarHBondContact O-CB 3.41Å; H27-S31 PolarHBondContact O-N 3.02Å; R28-S31 PolarHBondContact O-N 2.79Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 3.03Å; S31-K35 PolarHBondContact O-N 3.02Å
32W98.3Very high94.6Very high19 Ų1968.4 Ų68.47%0.07235%0.35CS..Hα-helixtrans-64.1-44.6175.217981.5000112R28 L29 N34 K35 I36 I45 A87 V88 L89 Y185 F187R28-W32 PolarHBondContact O-N 3.38Å; L29-W32 HydrophobicContact CD1-CE3 4.1Å; L29-W32 WeakPolarHBondContact O-CB 3.35Å; L29-W32 PolarHBondContact O-N 3.01Å; L29-W32 VanDerWaalsContact O-N 3.14Å; W32-N34 PolarHBondContact O-N 3.37Å; W32-K35 WeakPolarHBondContact O-CB 3.33Å; W32-K35 PolarHBondContact O-N 3.33Å; W32-I36 HydrophobicContact CD2-CG1 4.03Å; W32-I36 HydrophobicContact CE3-CG1 4.26Å; W32-I36 HydrophobicContact CH2-CG1 4.22Å; W32-I36 HydrophobicContact CZ2-CD1 4.18Å; W32-I36 HydrophobicContact CZ2-CG1 3.98Å; W32-I36 HydrophobicContact CZ3-CG1 4.35Å; W32-I36 WeakPolarHBondContact O-CG1 3.48Å; W32-I36 PolarHBondContact O-N 2.86Å; W32-I45 HydrophobicContact CH2-CG2 4.1Å; W32-I45 HydrophobicContact CZ3-CG2 4.41Å; W32-A87 HydrophobicContact CH2-CB 3.95Å; W32-A87 HydrophobicContact CZ2-CB 3.74Å; W32-V88 WeakPolarHBondContact CZ2-O 3.28Å; W32-L89 HydrophobicContact CH2-CB 4.13Å; W32-L89 HydrophobicContact CZ3-CB 4.35Å; W32-Y185 WeakPolarHBondContact CZ2-O 3.48Å; W32-F187 HydrophobicContact CB-CD2 3.78Å; W32-F187 HydrophobicContact CB-CE2 4.42Å; W32-F187 HydrophobicContact CD2-CB 3.55Å; W32-F187 HydrophobicContact CD2-CD2 4.27Å; W32-F187 HydrophobicContact CD2-CG 4.19Å; W32-F187 HydrophobicContact CE3-CB 3.96Å; W32-F187 HydrophobicContact CE3-CG 4.39Å; W32-F187 HydrophobicContact CG-CB 3.85Å; W32-F187 AromaticContact CG-CD2 3.89Å; W32-F187 HydrophobicContact CG-CD2 3.89Å; W32-F187 HydrophobicContact CG-CG 4.26Å; W32-F187 HydrophobicContact CH2-CB 4.3Å; W32-F187 HydrophobicContact CZ2-CB 3.91Å; W32-F187 HydrophobicContact CZ3-CB 4.33Å
33L97.1Very high95.3Very high4 Ų466.1 Ų66.12%0.02135%0.345CS..Hα-helixtrans-60.8-44.5177.9-70.9167.8000112.1L29 N30 K35 I36 L37 I45 L208 I211L29-L33 HydrophobicContact CD1-CD1 4.08Å; L29-L33 HydrophobicContact CD1-CG 4.08Å; L29-L33 HydrophobicContact CD2-CD1 4.44Å; L29-L33 HydrophobicContact CG-CD1 3.75Å; L29-L33 HydrophobicContact CG-CG 4.24Å; L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 VanDerWaalsContact O-CG 3.23Å; L29-L33 WeakPolarHBondContact O-CG 3.49Å; L29-L33 PolarHBondContact O-N 3.08Å; N30-L33 PolarHBondContact O-N 2.97Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.78Å; L33-I36 CarbonylContact O-C 3.46Å; L33-I36 WeakPolarHBondContact O-CA 3.28Å; L33-I36 WeakPolarHBondContact O-CB 3.06Å; L33-I36 PolarHBondContact O-N 3.17Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 2.79Å; L33-I45 HydrophobicContact CD2-CD1 4.03Å; L33-L208 HydrophobicContact CD2-CD2 3.84Å; L33-I211 HydrophobicContact CB-CD1 4.06Å; L33-I211 HydrophobicContact CD1-CD1 3.32Å; L33-I211 HydrophobicContact CD1-CG1 4.33Å; L33-I211 HydrophobicContact CD2-CD1 3.37Å; L33-I211 HydrophobicContact CG-CD1 3.72Å
34N95.8Very high95.8Very high93 Ų9360.6 Ų60.650%0.49731%0.314SS..Hα-helixtrans-57.7-43.8175.6-72.7-21000111.2N30 W32 I36 L37 D38N30-N34 WeakPolarHBondContact O-CB 3.24Å; N30-N34 PolarHBondContact O-N 3Å; N30-N34 PolarHBondContact O-ND2 3.14Å; W32-N34 PolarHBondContact O-N 3.37Å; N34-I36 VanDerWaalsContact C-N 3.32Å; N34-I36 PolarHBondContact O-N 2.99Å; N34-L37 PolarHBondContact O-N 2.95Å; N34-L37 VanDerWaalsContact O-N 3.16Å; N34-D38 WeakPolarHBondContact O-CB 2.92Å; N34-D38 VanDerWaalsContact O-CG 3.31Å; N34-D38 PolarHBondContact O-N 3.2Å
35K96.6Very high96.2Very high85 Ų8556.1 Ų56.137%0.3729%0.291SS..Hα-helixtrans-59.8-41.3174179.7176.4-174.7154.50112.6S31 W32 L33 H39S31-K35 PolarHBondContact O-N 3.02Å; W32-K35 WeakPolarHBondContact O-CB 3.33Å; W32-K35 PolarHBondContact O-N 3.33Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.78Å; K35-H39 PolarHBondContact O-N 2.93Å
36I97.1Very high96.6Very high1 Ų154.1 Ų54.11%0.00528%0.281CS..Hα-helixtrans-65.4-43.4175.4-58.8-42.5000110.5W32 L33 N34 D38 H39 I42 I45 A87 Y185 K220W32-I36 HydrophobicContact CD2-CG1 4.03Å; W32-I36 HydrophobicContact CE3-CG1 4.26Å; W32-I36 HydrophobicContact CH2-CG1 4.22Å; W32-I36 HydrophobicContact CZ2-CD1 4.18Å; W32-I36 HydrophobicContact CZ2-CG1 3.98Å; W32-I36 HydrophobicContact CZ3-CG1 4.35Å; W32-I36 WeakPolarHBondContact O-CG1 3.48Å; W32-I36 PolarHBondContact O-N 2.86Å; L33-I36 CarbonylContact O-C 3.46Å; L33-I36 WeakPolarHBondContact O-CA 3.28Å; L33-I36 WeakPolarHBondContact O-CB 3.06Å; L33-I36 PolarHBondContact O-N 3.17Å; N34-I36 VanDerWaalsContact C-N 3.32Å; N34-I36 PolarHBondContact O-N 2.99Å; I36-D38 VanDerWaalsContact C-N 3.32Å; I36-D38 PolarHBondContact O-N 2.86Å; I36-H39 WeakPolarHBondContact O-CB 3.46Å; I36-H39 PolarHBondContact O-N 2.83Å; I36-I42 HydrophobicContact CG2-CG2 3.87Å; I36-I45 HydrophobicContact CG2-CD1 4.04Å; I36-I45 HydrophobicContact CG2-CG1 4.04Å; I36-A87 HydrophobicContact CB-CB 4.45Å; I36-A87 HydrophobicContact CD1-CB 3.5Å; I36-A87 VanDerWaalsContact CD1-CB 3.5Å; I36-A87 HydrophobicContact CG1-CB 3.68Å; I36-A87 HydrophobicContact CG2-CB 3.85Å; I36-Y185 HydrophobicContact CD1-CD1 3.7Å; I36-Y185 HydrophobicContact CD1-CG 4.48Å; I36-K220 PolarHBondContact O-NZ 3.37Å
37L94.9Very high96.9Very high42 Ų4251 Ų5122%0.2227%0.267CS..Hα-helixtrans-63.4-34.9179-70.6173.9000112.7L33 N34 I211 K220 I222L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 2.79Å; N34-L37 PolarHBondContact O-N 2.95Å; N34-L37 VanDerWaalsContact O-N 3.16Å; L37-I211 HydrophobicContact CD1-CG2 4.09Å; L37-I211 HydrophobicContact CD2-CG2 3.82Å; L37-I211 HydrophobicContact CG-CG2 4.41Å; L37-K220 WeakPolarHBondContact O-CE 3.35Å; L37-K220 PolarHBondContact O-NZ 3.24Å; L37-I222 HydrophobicContact CD2-CD1 3.94Å; L37-I222 HydrophobicContact CD2-CG1 3.57Å
38D94.7Very high97Very high137 Ų13744.9 Ų44.973%0.73324%0.238SC*.Hα-helixtrans-81.3-14.6177.8-67.3-20.6000113.3N34 I36N34-D38 WeakPolarHBondContact O-CB 2.92Å; N34-D38 VanDerWaalsContact O-CG 3.31Å; N34-D38 PolarHBondContact O-N 3.2Å; I36-D38 VanDerWaalsContact C-N 3.32Å; I36-D38 PolarHBondContact O-N 2.86Å
39H96.4Very high97.1Very high36 Ų3639.3 Ų39.317%0.16722%0.217CC..  trans-65.7131.8-177.8-163-92.7000112.6K35 I36 T41 I42 Y185 K220K35-H39 PolarHBondContact O-N 2.93Å; I36-H39 WeakPolarHBondContact O-CB 3.46Å; I36-H39 PolarHBondContact O-N 2.83Å; H39-T41 VanDerWaalsContact C-N 3.33Å; H39-T41 PolarHBondContact CE1-OG1 3.21Å; H39-T41 PolarHBondContact ND1-N 2.74Å; H39-T41 PolarHBondContact ND1-OG1 2.79Å; H39-T41 PolarHBondContact O-N 2.88Å; H39-I42 HydrophobicContact CB-CB 4.08Å; H39-I42 VanDerWaalsContact ND1-CG1 3.31Å; H39-I42 WeakPolarHBondContact ND1-CG1 3.39Å; H39-I42 PolarHBondContact ND1-N 3.02Å; H39-I42 VanDerWaalsContact ND1-N 3.15Å; H39-Y185 AromaticContact CD2-CE1 3.48Å; H39-Y185 VanDerWaalsContact CD2-CE1 3.48Å; H39-Y185 WeakPolarHBondContact CD2-CE1 3.32Å; H39-Y185 AromaticContact CD2-CZ 3.67Å; H39-Y185 PolarHBondContact CD2-OH 3.37Å; H39-Y185 AromaticContact NE2-CE1 3.81Å; H39-Y185 AromaticContact NE2-CZ 3.5Å; H39-Y185 PolarHBondContact NE2-OH 3.48Å; H39-K220 PolarHBondContact O-NZ 3.18Å
40P95.3Very high97.2Very high116 Ų11639.4 Ų39.475%0.75322%0.218SC*.SBendtrans-63.3-34.2-173.822.8-34.2000114.2
41T95.9Very high97.2Very high80 Ų8036.8 Ų36.849%0.49120%0.204SC..SBendtrans-116.2-15.8-171.662.20000115H39 N43 N85H39-T41 VanDerWaalsContact C-N 3.33Å; H39-T41 PolarHBondContact CE1-OG1 3.21Å; H39-T41 PolarHBondContact ND1-N 2.74Å; H39-T41 PolarHBondContact ND1-OG1 2.79Å; H39-T41 PolarHBondContact O-N 2.88Å; T41-N43 PolarHBondContact O-N 2.98Å; T41-N85 PolarHBondContact O-ND2 3Å; T41-N85 PolarHBondContact OG1-OD1 2.89Å
42I97.5Very high97.2Very high5 Ų533.3 Ų33.33%0.02618%0.18CC..  trans-89117-176.5-67.5168000107.2I36 H39 N85 A87 Y185 K220I36-I42 HydrophobicContact CG2-CG2 3.87Å; H39-I42 HydrophobicContact CB-CB 4.08Å; H39-I42 VanDerWaalsContact ND1-CG1 3.31Å; H39-I42 WeakPolarHBondContact ND1-CG1 3.39Å; H39-I42 PolarHBondContact ND1-N 3.02Å; H39-I42 VanDerWaalsContact ND1-N 3.15Å; I42-N85 VanDerWaalsContact CG1-OD1 3.25Å; I42-N85 WeakPolarHBondContact CG1-OD1 3.41Å; I42-A87 HydrophobicContact CG2-CB 3.96Å; I42-Y185 HydrophobicContact CD1-CD1 3.51Å; I42-Y185 HydrophobicContact CD1-CD2 4.08Å; I42-Y185 HydrophobicContact CD1-CE1 3.6Å; I42-Y185 HydrophobicContact CD1-CE2 4.18Å; I42-Y185 HydrophobicContact CD1-CG 3.74Å; I42-K220 WeakPolarHBondContact O-CE 3.47Å; I42-K220 PolarHBondContact O-NZ 3.36Å
43N96.5Very high97.2Very high57 Ų5732.4 Ų32.431%0.30518%0.176SC..  trans-1328.7179.468.8-18.9000112.7T41 Q221 I222 H223T41-N43 PolarHBondContact O-N 2.98Å; N43-Q221 WeakPolarHBondContact CB-O 3.29Å; N43-I222 WeakPolarHBondContact O-CA 3.18Å; N43-H223 PolarHBondContact O-N 2.98Å
44K98.1Very high97.1Very high20 Ų2032.2 Ų32.29%0.08718%0.175CC..EExtended strand (participates in β ladder)trans-123.5128.6-179-67.7175.1-61.8-157.40109.4Y86 A87 H223 E390 I393K44-Y86 HydrophobicContact CB-CD1 3.55Å; K44-Y86 HydrophobicContact CB-CD2 4.27Å; K44-Y86 HydrophobicContact CB-CE1 3.65Å; K44-Y86 HydrophobicContact CB-CE2 4.33Å; K44-Y86 HydrophobicContact CB-CG 3.88Å; K44-Y86 HydrophobicContact CD-CD2 4.5Å; K44-Y86 HydrophobicContact CD-CE1 4.09Å; K44-Y86 HydrophobicContact CD-CE2 3.84Å; K44-Y86 VanDerWaalsContact CE-CE2 3.49Å; K44-Y86 HydrophobicContact CG-CE1 4.28Å; K44-Y86 WeakPolarHBondContact O-CA 3.31Å; K44-A87 PolarHBondContact O-N 2.91Å; K44-H223 WeakPolarHBondContact CA-O 3.45Å; K44-H223 HydrophobicContact CG-CB 4.23Å; K44-E390 IonicContact NZ-OE1 3.9Å; K44-E390 PolarHBondContact NZ-OE1 2.91Å; K44-I393 HydrophobicContact CD-CD1 4.08Å; K44-I393 HydrophobicContact CG-CD1 4.37Å
45I98.6Very high97.2Very high2 Ų227.9 Ų27.91%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-117.7128.8174.2-58.1179.7000107.9W32 L33 I36 A87 L208 I222 H223 L224 S225W32-I45 HydrophobicContact CH2-CG2 4.1Å; W32-I45 HydrophobicContact CZ3-CG2 4.41Å; L33-I45 HydrophobicContact CD2-CD1 4.03Å; I36-I45 HydrophobicContact CG2-CD1 4.04Å; I36-I45 HydrophobicContact CG2-CG1 4.04Å; I45-A87 WeakPolarHBondContact CA-O 3.38Å; I45-A87 HydrophobicContact CG1-CB 4.28Å; I45-L208 HydrophobicContact CG2-CD1 4.37Å; I45-L208 HydrophobicContact CG2-CD2 4.27Å; I45-I222 HydrophobicContact CD1-CG2 3.82Å; I45-I222 HydrophobicContact CG1-CG2 3.93Å; I45-H223 PolarHBondContact N-O 2.88Å; I45-L224 HydrophobicContact CB-CD2 4.12Å; I45-L224 HydrophobicContact CD1-CD2 4.46Å; I45-L224 CarbonylContact O-C 3.5Å; I45-S225 PolarHBondContact O-N 3.47Å; I45-S225 PolarHBondContact O-OG 3.21Å; I45-S225 VanDerWaalsContact O-OG 3.08Å
46V98.9Very high97.2Very high0 Ų023.8 Ų23.80%014%0.135CC..EExtended strand (participates in β ladder)trans-114.4126.5170630000110.2I48 F81 Y86 A87 V88 L89 S225V46-I48 HydrophobicContact CG1-CD1 4.24Å; V46-I48 HydrophobicContact CG1-CG1 4.16Å; V46-I48 HydrophobicContact CG2-CG1 3.91Å; V46-F81 HydrophobicContact CG1-CB 3.88Å; V46-F81 HydrophobicContact CG1-CD1 4.06Å; V46-F81 HydrophobicContact CG1-CD2 4.07Å; V46-F81 HydrophobicContact CG1-CG 3.76Å; V46-F81 HydrophobicContact CG2-CD2 4.48Å; V46-F81 HydrophobicContact CG2-CE2 4.29Å; V46-F81 HydrophobicContact CG2-CZ 4.32Å; V46-Y86 HydrophobicContact CB-CD1 3.97Å; V46-Y86 HydrophobicContact CG1-CD1 4.05Å; V46-Y86 HydrophobicContact CG1-CG 4.5Å; V46-A87 PolarHBondContact N-O 3.42Å; V46-V88 HydrophobicContact CG1-CB 4.37Å; V46-V88 HydrophobicContact CG1-CG1 4.44Å; V46-V88 HydrophobicContact CG1-CG2 3.7Å; V46-V88 WeakPolarHBondContact O-CA 3.39Å; V46-L89 PolarHBondContact O-N 3.21Å; V46-S225 CarbonylContact C-O 3.4Å; V46-S225 WeakPolarHBondContact CA-O 3.34Å; V46-S225 WeakPolarHBondContact CA-OG 3.32Å; V46-S225 VanDerWaalsContact CB-OG 3.25Å; V46-S225 WeakPolarHBondContact CB-OG 3.09Å; V46-S225 WeakPolarHBondContact CG2-OG 3.5Å
47C98.9Very high97.1Very high0 Ų024.4 Ų24.40%014%0.138CC..EExtended strand (participates in β ladder)trans-91.5114167.21770000109.1L89 I204 L208 S225 Y226 Y227C47-L89 CarbonylContact C-O 3.51Å; C47-L89 VanDerWaalsContact CA-O 3.28Å; C47-L89 WeakPolarHBondContact CA-O 3.2Å; C47-L89 HydrophobicContact CB-CB 4.47Å; C47-I204 HydrophobicContact CB-CG2 4.44Å; C47-L208 HydrophobicContact CB-CD1 4.17Å; C47-S225 PolarHBondContact N-O 3.21Å; C47-Y226 HydrophobicContact CB-CD1 3.55Å; C47-Y226 HydrophobicContact CB-CE1 3.53Å; C47-Y226 HydrophobicContact CB-CG 4.4Å; C47-Y226 CarbonylContact O-C 3.54Å; C47-Y226 WeakPolarHBondContact O-CA 3.4Å; C47-Y227 PolarHBondContact O-N 3.49Å
48I98.9Very high97.1Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-103.3122.3-179.8-60.7-177.7000108.3V46 A78 F81 V88 L89 Y90 F91 Y227V46-I48 HydrophobicContact CG1-CD1 4.24Å; V46-I48 HydrophobicContact CG1-CG1 4.16Å; V46-I48 HydrophobicContact CG2-CG1 3.91Å; I48-A78 HydrophobicContact CD1-CB 3.7Å; I48-F81 HydrophobicContact CD1-CD2 3.79Å; I48-F81 HydrophobicContact CD1-CE2 4.39Å; I48-V88 HydrophobicContact CD1-CG1 3.73Å; I48-V88 HydrophobicContact CG1-CG1 4.11Å; I48-L89 PolarHBondContact N-O 2.87Å; I48-Y90 HydrophobicContact CB-CD2 3.97Å; I48-Y90 HydrophobicContact CB-CE2 4.45Å; I48-Y90 HydrophobicContact CG2-CD2 3.85Å; I48-Y90 HydrophobicContact CG2-CE2 3.81Å; I48-F91 PolarHBondContact O-N 2.83Å; I48-Y227 WeakPolarHBondContact CA-O 3.41Å; I48-Y227 HydrophobicContact CG2-CD1 3.96Å
49T98.8Very high97Very high0 Ų018.3 Ų18.30%011%0.105CC..EExtended strand (participates in β ladder)trans-92.2132.6168.371.80000110.3F91 Y197 L201 Y227 L228 S229 A230T49-F91 CarbonylContact C-O 3.54Å; T49-F91 WeakPolarHBondContact CA-O 3.28Å; T49-F91 HydrophobicContact CG2-CD1 4.06Å; T49-Y197 HydrophobicContact CG2-CE2 3.75Å; T49-L201 HydrophobicContact CG2-CD1 4.23Å; T49-Y227 PolarHBondContact N-O 3.06Å; T49-L228 HydrophobicContact CG2-CD2 4.06Å; T49-L228 WeakPolarHBondContact OG1-CA 3.49Å; T49-S229 CarbonylContact O-C 3.59Å; T49-S229 VanDerWaalsContact O-C 3.3Å; T49-S229 WeakPolarHBondContact O-CA 3.45Å; T49-S229 PolarHBondContact O-N 2.97Å; T49-S229 PolarHBondContact O-OG 3.23Å; T49-S229 PolarHBondContact OG1-N 2.95Å; T49-A230 PolarHBondContact O-N 3.5Å; T49-A230 WeakPolarHBondContact OG1-CB 3.36Å; T49-A230 PolarHBondContact OG1-N 3.32Å; T49-A230 VanDerWaalsContact OG1-N 3.08Å
50S98.6Very high96.8Very high1 Ų120.5 Ų20.51%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-143.1150.7-174.1-168.90000114G71 Y90 F91 H92 R93 F191S50-G71 VanDerWaalsContact OG-CA 3.29Å; S50-G71 WeakPolarHBondContact OG-CA 3.29Å; S50-G71 PolarHBondContact OG-O 2.81Å; S50-Y90 VanDerWaalsContact CB-CZ 3.46Å; S50-Y90 WeakPolarHBondContact CB-OH 2.83Å; S50-Y90 PolarHBondContact OG-OH 3.2Å; S50-F91 PolarHBondContact N-O 3.36Å; S50-H92 CarbonylContact O-C 3.48Å; S50-H92 VanDerWaalsContact O-CA 3.25Å; S50-H92 WeakPolarHBondContact O-CA 3.41Å; S50-R93 PolarHBondContact O-N 3.02Å; S50-F191 WeakPolarHBondContact O-CZ 3.42Å
51G97.7Very high96.7Very high1 Ų117.5 Ų17.51%0.019%0.094CC..SBendtrans82.7178.9-177.500000113.7A230 A231G51-A230 CarbonylContact O-C 3.58Å; G51-A230 VanDerWaalsContact O-CA 3.28Å; G51-A230 WeakPolarHBondContact O-CA 3.38Å; G51-A230 WeakPolarHBondContact O-CB 3.24Å; G51-A231 PolarHBondContact O-N 3.03Å
52G96.7Very high96.6Very high0 Ų017.5 Ų17.50%09%0.094CC..BIsolated β-bridgetrans-92.6149.7-178.400000114N67 S69 R93G52-N67 WeakPolarHBondContact CA-O 3.18Å; G52-S69 PolarHBondContact N-O 2.82Å; G52-R93 WeakPolarHBondContact O-CB 3.48Å; G52-R93 WeakPolarHBondContact O-CD 3.37Å; G52-R93 WeakPolarHBondContact O-CG 3.41Å; G52-R93 PolarHBondContact O-NH1 2.92Å
53T97.3Very high96.4Very high0 Ų021.5 Ų21.50%011%0.109CC..PPolyproline II helixtrans-91.5142.9169.460.10000110.8N67 F191 I194 Y197 A231 V232 S233T53-N67 PolarHBondContact O-N 2.96Å; T53-N67 VanDerWaalsContact O-N 3.1Å; T53-F191 HydrophobicContact CG2-CE2 3.88Å; T53-I194 HydrophobicContact CG2-CD1 4.1Å; T53-Y197 HydrophobicContact CG2-CD1 4.46Å; T53-Y197 HydrophobicContact CG2-CD2 4.35Å; T53-Y197 HydrophobicContact CG2-CG 3.97Å; T53-A231 PolarHBondContact N-O 2.89Å; T53-A231 PolarHBondContact OG1-O 2.9Å; T53-V232 HydrophobicContact CG2-CG2 4.49Å; T53-S233 PolarHBondContact OG1-N 3.37Å
54I96.9Very high96.4Very high1 Ų124 Ų241%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-101.8152.4168.473.4-177.4000112M61 Y64 I65 R93 E192 T193 I194I54-M61 HydrophobicContact CD1-CE 3.53Å; I54-M61 HydrophobicContact CD1-SD 3.36Å; I54-M61 WeakPolarHBondContact CD1-SD 3.33Å; I54-M61 HydrophobicContact CG1-SD 4.23Å; I54-Y64 HydrophobicContact CB-CD2 3.83Å; I54-Y64 HydrophobicContact CB-CG 4.14Å; I54-Y64 HydrophobicContact CD1-CD1 4.33Å; I54-Y64 HydrophobicContact CD1-CD2 4.43Å; I54-Y64 HydrophobicContact CD1-CG 4.14Å; I54-Y64 HydrophobicContact CG2-CD2 3.71Å; I54-Y64 HydrophobicContact CG2-CE2 3.93Å; I54-Y64 HydrophobicContact CG2-CG 4.41Å; I54-I65 CarbonylContact C-O 3.58Å; I54-I65 WeakPolarHBondContact CA-O 3.37Å; I54-R93 VanDerWaalsContact CG2-NH2 3.25Å; I54-E192 HydrophobicContact CD1-CG 3.71Å; I54-E192 HydrophobicContact CG1-CG 4.36Å; I54-E192 WeakPolarHBondContact CG1-O 3.39Å; I54-E192 PolarHBondContact N-O 3.47Å; I54-E192 VanDerWaalsContact N-O 3.13Å; I54-T193 HydrophobicContact CD1-CG2 4.34Å; I54-T193 HydrophobicContact CG1-CG2 3.99Å; I54-T193 CarbonylContact O-C 3.58Å; I54-T193 VanDerWaalsContact O-CA 3.29Å; I54-T193 WeakPolarHBondContact O-CA 3.39Å; I54-I194 PolarHBondContact O-N 2.87Å
55V97Very high96.3Very high1 Ų125.9 Ų25.91%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-111.9107.4171.2179.20000108.1L57 Y64 I65 I194 Y235 L237V55-L57 PolarHBondContact O-N 3.09Å; V55-Y64 CarbonylContact O-C 3.56Å; V55-Y64 WeakPolarHBondContact O-CA 3.34Å; V55-Y64 VanDerWaalsContact O-CB 3.29Å; V55-Y64 WeakPolarHBondContact O-CB 3.39Å; V55-I65 HydrophobicContact CB-CB 4.21Å; V55-I65 PolarHBondContact N-O 3.24Å; V55-I65 PolarHBondContact O-N 3.34Å; V55-I194 HydrophobicContact CG2-CG2 4.11Å; V55-Y235 VanDerWaalsContact CG2-O 3.32Å; V55-Y235 WeakPolarHBondContact CG2-O 3.36Å; V55-L237 HydrophobicContact CG1-CB 4.3Å
56P96Very high96.2Very high0 Ų028.5 Ų28.50%014%0.139CC..EExtended strand (participates in β ladder)trans-60.8133.8176-20.531.5000111.3M61 T193 R242P56-M61 HydrophobicContact CB-CB 4.36Å; P56-M61 HydrophobicContact CB-CG 4.04Å; P56-M61 HydrophobicContact CB-SD 3.91Å; P56-M61 HydrophobicContact CG-SD 3.75Å; P56-T193 HydrophobicContact CG-CG2 3.54Å; P56-R242 WeakPolarHBondContact O-CD 3.49Å; P56-R242 PolarHBondContact O-NE 3.37Å
57L96.2Very high95.9Very high14 Ų1431.2 Ų31.27%0.07315%0.154CC..SBendtrans-91.3-19.5172.8-63-177.2000112.5V55 R63 I65 L237 P243 I247 L279V55-L57 PolarHBondContact O-N 3.09Å; L57-R63 HydrophobicContact CB-CB 4.49Å; L57-R63 HydrophobicContact CD1-CB 4.28Å; L57-R63 PolarHBondContact N-O 3.44Å; L57-I65 HydrophobicContact CD1-CG1 4.39Å; L57-I65 HydrophobicContact CD2-CD1 3.95Å; L57-I65 HydrophobicContact CD2-CG1 4.01Å; L57-I65 HydrophobicContact CG-CG1 4.42Å; L57-L237 HydrophobicContact CD2-CD2 4.13Å; L57-P243 WeakPolarHBondContact O-CD 3.49Å; L57-I247 HydrophobicContact CB-CD1 4.06Å; L57-L279 HydrophobicContact CD1-CD1 3.91Å; L57-L279 HydrophobicContact CD2-CD1 3.88Å
58E95.3Very high95.6Very high0 Ų036.1 Ų36.10%018%0.175CC..SBendtrans-127.4160.1177.4-54.4105.6160.100111.3V62 R63 P243 I247E58-V62 PolarHBondContact OE2-N 3.3Å; E58-R63 WeakPolarHBondContact OE2-CA 3.25Å; E58-R63 WeakPolarHBondContact OE2-CB 3.31Å; E58-R63 PolarHBondContact OE2-N 3.16Å; E58-R63 VanDerWaalsContact OE2-O 3.12Å; E58-P243 CarbonylContact C-O 3.55Å; E58-P243 VanDerWaalsContact CA-O 3.27Å; E58-P243 WeakPolarHBondContact CA-O 3.37Å; E58-P243 WeakPolarHBondContact CB-O 3.38Å; E58-P243 HydrophobicContact CG-CG 4Å; E58-I247 HydrophobicContact CG-CD1 4.19Å; E58-I247 HydrophobicContact CG-CG1 3.93Å; E58-I247 WeakPolarHBondContact OE1-CG1 3.41Å; E58-I247 PolarHBondContact OE1-N 3.16Å
59I92.5Very high95.4Very high51 Ų5137.6 Ų37.626%0.26219%0.185SC..SBendtrans-66.6-52.6174.4-61.8171.5000109.9M61 R242 P243 E244I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.48Å; I59-M61 VanDerWaalsContact O-N 3.13Å; I59-R242 HydrophobicContact CG1-CB 4.01Å; I59-P243 PolarHBondContact N-O 3.08Å; I59-E244 HydrophobicContact CD1-CB 4.42Å
60N92.4Very high95.2Very high82 Ų8239.3 Ų39.344%0.43920%0.196SC..SBendtrans-82.385.4166.5-62-54000107.7V62 E244 H245N60-V62 PolarHBondContact O-N 3.15Å; N60-V62 VanDerWaalsContact O-N 3.09Å; N60-E244 VanDerWaalsContact CB-O 3.27Å; N60-E244 WeakPolarHBondContact CB-O 3.38Å; N60-E244 PolarHBondContact N-O 3.38Å; N60-E244 VanDerWaalsContact N-O 3.09Å; N60-E244 PolarHBondContact ND2-O 2.93Å; N60-H245 PolarHBondContact ND2-ND1 3.25Å
61M91.7Very high95Very high52 Ų5239.3 Ų39.326%0.25620%0.196SC..  trans-55.8114.3-170.9-175.1175.774.600111.8I54 P56 I59 Y64 T193I54-M61 HydrophobicContact CD1-CE 3.53Å; I54-M61 HydrophobicContact CD1-SD 3.36Å; I54-M61 WeakPolarHBondContact CD1-SD 3.33Å; I54-M61 HydrophobicContact CG1-SD 4.23Å; P56-M61 HydrophobicContact CB-CB 4.36Å; P56-M61 HydrophobicContact CB-CG 4.04Å; P56-M61 HydrophobicContact CB-SD 3.91Å; P56-M61 HydrophobicContact CG-SD 3.75Å; I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.48Å; I59-M61 VanDerWaalsContact O-N 3.13Å; M61-Y64 HydrophobicContact CG-CD1 4.32Å; M61-Y64 HydrophobicContact SD-CD1 4.38Å; M61-T193 HydrophobicContact SD-CG2 4.49Å
62V93.4Very high94.9Very high81 Ų8140.6 Ų40.649%0.49120%0.203SC..SBendtrans-118.9-37.7169.61760000109.8E58 N60 K246E58-V62 PolarHBondContact OE2-N 3.3Å; N60-V62 PolarHBondContact O-N 3.15Å; N60-V62 VanDerWaalsContact O-N 3.09Å; V62-K246 HydrophobicContact CB-CB 4.36Å; V62-K246 HydrophobicContact CB-CG 4.31Å; V62-K246 HydrophobicContact CG1-CB 4.49Å; V62-K246 HydrophobicContact CG1-CD 4.02Å; V62-K246 HydrophobicContact CG1-CG 4Å; V62-K246 HydrophobicContact CG2-CB 4.28Å
63R94.9Very high94.8Very high89 Ų8942.7 Ų42.734%0.33621%0.211SC..  trans-117.7147.3175.6-60178176.3158.95.3109.7L57 E58 I247L57-R63 HydrophobicContact CB-CB 4.49Å; L57-R63 HydrophobicContact CD1-CB 4.28Å; L57-R63 PolarHBondContact N-O 3.44Å; E58-R63 WeakPolarHBondContact OE2-CA 3.25Å; E58-R63 WeakPolarHBondContact OE2-CB 3.31Å; E58-R63 PolarHBondContact OE2-N 3.16Å; E58-R63 VanDerWaalsContact OE2-O 3.12Å; R63-I247 PolarHBondContact NH1-O 3.3Å; R63-I247 PolarHBondContact NH2-O 3.33Å
64Y96.4Very high94.9Very high108 Ų10842.8 Ų42.842%0.42421%0.211SC..EExtended strand (participates in β ladder)trans-151.5159.5179.952.5-94.3000109.8I54 V55 M61 D66I54-Y64 HydrophobicContact CB-CD2 3.83Å; I54-Y64 HydrophobicContact CB-CG 4.14Å; I54-Y64 HydrophobicContact CD1-CD1 4.33Å; I54-Y64 HydrophobicContact CD1-CD2 4.43Å; I54-Y64 HydrophobicContact CD1-CG 4.14Å; I54-Y64 HydrophobicContact CG2-CD2 3.71Å; I54-Y64 HydrophobicContact CG2-CE2 3.93Å; I54-Y64 HydrophobicContact CG2-CG 4.41Å; V55-Y64 CarbonylContact O-C 3.56Å; V55-Y64 WeakPolarHBondContact O-CA 3.34Å; V55-Y64 VanDerWaalsContact O-CB 3.29Å; V55-Y64 WeakPolarHBondContact O-CB 3.39Å; M61-Y64 HydrophobicContact CG-CD1 4.32Å; M61-Y64 HydrophobicContact SD-CD1 4.38Å; Y64-D66 HydrophobicContact CD2-CB 4.07Å; Y64-D66 HydrophobicContact CE2-CB 3.93Å
65I96Very high94.9Very high60 Ų6042.7 Ų42.731%0.30821%0.211SC..EExtended strand (participates in β ladder)trans-92124.4165.3-58.7168.3000106.7I54 V55 L57 L281I54-I65 CarbonylContact C-O 3.58Å; I54-I65 WeakPolarHBondContact CA-O 3.37Å; V55-I65 HydrophobicContact CB-CB 4.21Å; V55-I65 PolarHBondContact N-O 3.24Å; V55-I65 PolarHBondContact O-N 3.34Å; L57-I65 HydrophobicContact CD1-CG1 4.39Å; L57-I65 HydrophobicContact CD2-CD1 3.95Å; L57-I65 HydrophobicContact CD2-CG1 4.01Å; L57-I65 HydrophobicContact CG-CG1 4.42Å; I65-L281 HydrophobicContact CD1-CD1 3.59Å; I65-L281 HydrophobicContact CD1-CD2 4.18Å
66D95.7Very high94.9Very high58 Ų5842.9 Ų42.931%0.3121%0.212SC..EExtended strand (participates in β ladder)trans-99.5127.8-180-159.2-23.5000110.5Y64 F68 R93Y64-D66 HydrophobicContact CD2-CB 4.07Å; Y64-D66 HydrophobicContact CE2-CB 3.93Å; D66-F68 PolarHBondContact O-N 3.19Å; D66-F68 PolarHBondContact OD1-N 2.79Å; D66-R93 IonicContact OD1-CZ 3.62Å; D66-R93 IonicContact OD1-NH1 3.21Å; D66-R93 PolarHBondContact OD1-NH1 2.78Å; D66-R93 IonicContact OD1-NH2 2.67Å; D66-R93 IonicContact OD2-CZ 2.9Å; D66-R93 IonicContact OD2-NH1 3.49Å; D66-R93 PolarHBondContact OD2-NH1 3.1Å; D66-R93 IonicContact OD2-NH2 2.9Å; D66-R93 PolarHBondContact OD2-NH2 3.38Å
67N93.8Very high95Very high56 Ų5642.9 Ų42.930%0.29921%0.212SC..  trans-93.380.2162.6-166.424.7000109.1G52 T53 S69 A231 V232 S233G52-N67 WeakPolarHBondContact CA-O 3.18Å; T53-N67 PolarHBondContact O-N 2.96Å; T53-N67 VanDerWaalsContact O-N 3.1Å; N67-S69 PolarHBondContact O-N 2.8Å; N67-A231 PolarHBondContact ND2-O 2.68Å; N67-A231 VanDerWaalsContact ND2-O 3.11Å; N67-V232 PolarHBondContact ND2-N 3.46Å; N67-V232 PolarHBondContact ND2-O 3.44Å; N67-V232 VanDerWaalsContact ND2-O 3.1Å; N67-S233 PolarHBondContact ND2-N 3.04Å
68F92Very high95.1Very high103 Ų10342.2 Ų42.245%0.45221%0.209SC..  trans-55.3133.7-165.8174.5-102.4000113.6D66 T70D66-F68 PolarHBondContact O-N 3.19Å; D66-F68 PolarHBondContact OD1-N 2.79Å; F68-T70 HydrophobicContact CE1-CG2 4.25Å; F68-T70 HydrophobicContact CE2-CG2 4.44Å; F68-T70 HydrophobicContact CZ-CG2 3.7Å
69S94.1Very high95.2Very high31 Ų3142.5 Ų42.522%0.21721%0.21CC..  trans-162.9130.6167.8169.30000110G52 N67 G71G52-S69 PolarHBondContact N-O 2.82Å; N67-S69 PolarHBondContact O-N 2.8Å; S69-G71 PolarHBondContact O-N 3.35Å; S69-G71 PolarHBondContact OG-N 2.72Å
70T94Very high95.5Very high37 Ų3741.5 Ų41.523%0.22720%0.203CC..  trans-69.5-20.9176.7620000112.9F68 L72 L97F68-T70 HydrophobicContact CE1-CG2 4.25Å; F68-T70 HydrophobicContact CE2-CG2 4.44Å; F68-T70 HydrophobicContact CZ-CG2 3.7Å; T70-L72 PolarHBondContact OG1-N 3.28Å; T70-L97 WeakPolarHBondContact O-CB 3.32Å; T70-L97 WeakPolarHBondContact O-CG 3.43Å; T70-L97 PolarHBondContact O-N 3.36Å
71G96Very high95.8Very high1 Ų137.7 Ų37.71%0.0118%0.182CC..  trans79.110.7-175.300000115S50 S69 R73 G74 A75S50-G71 VanDerWaalsContact OG-CA 3.29Å; S50-G71 WeakPolarHBondContact OG-CA 3.29Å; S50-G71 PolarHBondContact OG-O 2.81Å; S69-G71 PolarHBondContact O-N 3.35Å; S69-G71 PolarHBondContact OG-N 2.72Å; G71-R73 PolarHBondContact O-N 2.9Å; G71-G74 PolarHBondContact O-N 3.44Å; G71-A75 PolarHBondContact O-N 3.06Å
72L94.7Very high96.2Very high28 Ų2835.5 Ų35.515%0.14717%0.172CC..Hα-helixtrans-56.6-48.2-177.8-177.659.4000112.7T70 G74 A75 L76 L97 Q108T70-L72 PolarHBondContact OG1-N 3.28Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.4Å; L72-A75 PolarHBondContact O-N 3.39Å; L72-A75 VanDerWaalsContact O-N 3.14Å; L72-L76 HydrophobicContact CD1-CD1 4.01Å; L72-L76 HydrophobicContact CD1-CD2 4.34Å; L72-L76 HydrophobicContact CD1-CG 3.91Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.22Å; L72-L76 WeakPolarHBondContact O-CG 3.1Å; L72-L76 PolarHBondContact O-N 2.9Å; L72-L97 HydrophobicContact CB-CD1 3.76Å; L72-L97 HydrophobicContact CD1-CD1 3.8Å; L72-L97 HydrophobicContact CG-CD1 4.32Å; L72-Q108 HydrophobicContact CD1-CG 4.42Å
73R95.8Very high96.3Very high44 Ų4435.4 Ų35.417%0.16616%0.162CC..Hα-helixtrans-55.6-47.6178.2168.2161.8-73.3179.21.1111.5G71 A75 S77 Y227 N332 R337 E378G71-R73 PolarHBondContact O-N 2.9Å; R73-A75 VanDerWaalsContact C-N 3.34Å; R73-A75 PolarHBondContact O-N 3.36Å; R73-S77 WeakPolarHBondContact O-CB 3.29Å; R73-S77 PolarHBondContact O-N 3.21Å; R73-S77 PolarHBondContact O-OG 2.84Å; R73-Y227 HydrophobicContact CG-CE1 4.35Å; R73-Y227 WeakPolarHBondContact CG-OH 3.5Å; R73-N332 PolarHBondContact NH1-OD1 3.14Å; R73-R337 PolarHBondContact NH2-O 2.67Å; R73-E378 IonicContact CZ-OE1 2.77Å; R73-E378 IonicContact NE-OE1 3.6Å; R73-E378 PolarHBondContact NE-OE1 2.72Å; R73-E378 IonicContact NH2-OE1 3.22Å; R73-E378 PolarHBondContact NH2-OE1 3.14Å
74G98Very high96.5Very high1 Ų133.3 Ų33.31%0.0116%0.161CC..Hα-helixtrans-62.2-43.3178.600000111.6G71 L72 S77 A78 Y90G71-G74 PolarHBondContact O-N 3.44Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.4Å; G74-S77 PolarHBondContact O-N 3.49Å; G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 2.95Å; G74-Y90 WeakPolarHBondContact O-CE2 3.19Å
75A97.5Very high96.6Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-62.3-48.7179.400000111.9G71 L72 R73 A78 E79 Y90 L97G71-A75 PolarHBondContact O-N 3.06Å; L72-A75 PolarHBondContact O-N 3.39Å; L72-A75 VanDerWaalsContact O-N 3.14Å; R73-A75 VanDerWaalsContact C-N 3.34Å; R73-A75 PolarHBondContact O-N 3.36Å; A75-A78 WeakPolarHBondContact O-CB 3.39Å; A75-A78 PolarHBondContact O-N 3.49Å; A75-E79 PolarHBondContact O-N 2.68Å; A75-Y90 WeakPolarHBondContact CA-OH 3.2Å; A75-Y90 PolarHBondContact N-OH 3.22Å; A75-Y90 VanDerWaalsContact N-OH 3.14Å; A75-L97 HydrophobicContact CB-CB 4.19Å
76L96.3Very high96.7Very high5 Ų528.2 Ų28.23%0.02614%0.142CC..Hα-helixtrans-61-48.9176-67.6178000111.3L72 A78 E79 Y80 H102 E376 E378L72-L76 HydrophobicContact CD1-CD1 4.01Å; L72-L76 HydrophobicContact CD1-CD2 4.34Å; L72-L76 HydrophobicContact CD1-CG 3.91Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.22Å; L72-L76 WeakPolarHBondContact O-CG 3.1Å; L72-L76 PolarHBondContact O-N 2.9Å; L76-A78 VanDerWaalsContact C-N 3.28Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-E79 PolarHBondContact O-N 3.45Å; L76-Y80 WeakPolarHBondContact O-CD2 3.39Å; L76-Y80 PolarHBondContact O-N 3.47Å; L76-Y80 VanDerWaalsContact O-N 3.1Å; L76-H102 WeakPolarHBondContact CD2-CE1 3.25Å; L76-E376 HydrophobicContact CD1-CB 4.25Å; L76-E376 VanDerWaalsContact CD1-CD 3.5Å; L76-E376 HydrophobicContact CD1-CG 3.91Å; L76-E376 VanDerWaalsContact CD2-CD 3.47Å; L76-E376 WeakPolarHBondContact CD2-OE1 3.47Å; L76-E376 WeakPolarHBondContact CD2-OE2 3.43Å; L76-E378 HydrophobicContact CB-CB 4.19Å; L76-E378 HydrophobicContact CB-CG 3.95Å
77S98.5Very high96.8Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-57.6-42.4-179.3-560000111.5R73 G74 E79 Y80 F81 Y227R73-S77 WeakPolarHBondContact O-CB 3.29Å; R73-S77 PolarHBondContact O-N 3.21Å; R73-S77 PolarHBondContact O-OG 2.84Å; G74-S77 PolarHBondContact O-N 3.49Å; S77-E79 VanDerWaalsContact C-N 3.32Å; S77-E79 PolarHBondContact O-N 3.21Å; S77-Y80 PolarHBondContact O-N 3.29Å; S77-F81 WeakPolarHBondContact O-CD2 3.23Å; S77-F81 PolarHBondContact O-N 2.94Å; S77-Y227 VanDerWaalsContact OG-CZ 3.27Å; S77-Y227 PolarHBondContact OG-OH 3.31Å
78A98.7Very high97.1Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-57.4-43.3175.600000112.4I48 G74 A75 L76 F81 L82 V88 Y90 P99I48-A78 HydrophobicContact CD1-CB 3.7Å; G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 2.95Å; A75-A78 WeakPolarHBondContact O-CB 3.39Å; A75-A78 PolarHBondContact O-N 3.49Å; L76-A78 VanDerWaalsContact C-N 3.28Å; L76-A78 PolarHBondContact O-N 3.31Å; A78-F81 PolarHBondContact O-N 3.27Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 VanDerWaalsContact O-CG 3.25Å; A78-L82 WeakPolarHBondContact O-CG 3.16Å; A78-L82 PolarHBondContact O-N 3.23Å; A78-V88 HydrophobicContact CB-CG1 3.99Å; A78-Y90 HydrophobicContact CB-CD2 3.98Å; A78-Y90 HydrophobicContact CB-CE2 4.18Å; A78-P99 HydrophobicContact CB-CB 4.09Å; A78-P99 HydrophobicContact CB-CG 3.49Å; A78-P99 VanDerWaalsContact CB-CG 3.49Å
79E98Very high97.4Very high5 Ų517.9 Ų17.92%0.0239%0.092CC..Hα-helixtrans-65.9-41.5177.5-57.4-179.4-163.600112.2A75 L76 S77 L82 R83 P99 F100 H102 R103A75-E79 PolarHBondContact O-N 2.68Å; L76-E79 PolarHBondContact O-N 3.45Å; S77-E79 VanDerWaalsContact C-N 3.32Å; S77-E79 PolarHBondContact O-N 3.21Å; E79-L82 PolarHBondContact O-N 2.93Å; E79-R83 WeakPolarHBondContact O-CB 3.32Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.28Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 IonicContact OE2-CZ 2.69Å; E79-R83 IonicContact OE2-NH1 3.93Å; E79-R83 PolarHBondContact OE2-NH1 3Å; E79-R83 IonicContact OE2-NH2 2.99Å; E79-R83 PolarHBondContact OE2-NH2 3.2Å; E79-P99 HydrophobicContact CG-CB 3.92Å; E79-F100 HydrophobicContact CB-CE1 4.16Å; E79-F100 HydrophobicContact CB-CZ 4.42Å; E79-F100 HydrophobicContact CG-CD1 3.92Å; E79-F100 HydrophobicContact CG-CE1 3.75Å; E79-F100 HydrophobicContact CG-CE2 4.5Å; E79-F100 HydrophobicContact CG-CG 4.4Å; E79-F100 HydrophobicContact CG-CZ 4.07Å; E79-F100 WeakPolarHBondContact OE1-CA 3.37Å; E79-F100 PolarHBondContact OE1-N 2.7Å; E79-H102 IonicContact OE1-CD2 3.45Å; E79-H102 PolarHBondContact OE1-CD2 2.88Å; E79-H102 IonicContact OE1-CE1 2.77Å; E79-H102 IonicContact OE1-NE2 2.84Å; E79-H102 PolarHBondContact OE1-NE2 2.62Å; E79-R103 IonicContact OE1-NE 3.53Å; E79-R103 IonicContact OE2-CZ 3.61Å; E79-R103 IonicContact OE2-NH1 2.73Å
80Y98.1Very high97.6Very high31 Ų3116.4 Ų16.412%0.1228%0.081CC..Hα-helixtrans-63.8-42.4175.5-74.1-78.2000111.9L76 S77 L82 R83 S84 S374 E376 E378 S379 I382L76-Y80 WeakPolarHBondContact O-CD2 3.39Å; L76-Y80 PolarHBondContact O-N 3.47Å; L76-Y80 VanDerWaalsContact O-N 3.1Å; S77-Y80 PolarHBondContact O-N 3.29Å; Y80-L82 PolarHBondContact O-N 3.49Å; Y80-R83 PolarHBondContact O-N 2.65Å; Y80-S84 WeakPolarHBondContact O-CB 3.46Å; Y80-S84 PolarHBondContact O-N 3.19Å; Y80-S84 PolarHBondContact O-OG 3.5Å; Y80-S374 WeakPolarHBondContact OH-CB 3.36Å; Y80-S374 PolarHBondContact OH-OG 2.97Å; Y80-E376 PolarHBondContact OH-OE2 3.33Å; Y80-E378 HydrophobicContact CD2-CB 3.8Å; Y80-E378 HydrophobicContact CE2-CB 3.66Å; Y80-S379 WeakPolarHBondContact OH-CB 3.41Å; Y80-I382 HydrophobicContact CD2-CG1 4.38Å; Y80-I382 HydrophobicContact CG-CB 4.29Å; Y80-I382 HydrophobicContact CG-CG1 4.38Å
81F98.8Very high97.9Very high2 Ų214.8 Ų14.81%0.0097%0.071CC..Hα-helixtrans-61.7-43.8174.7-82.8-66.4000112.4V46 I48 S77 A78 R83 S84 N85 Y86 V88 Y227 I302 I382 I386V46-F81 HydrophobicContact CG1-CB 3.88Å; V46-F81 HydrophobicContact CG1-CD1 4.06Å; V46-F81 HydrophobicContact CG1-CD2 4.07Å; V46-F81 HydrophobicContact CG1-CG 3.76Å; V46-F81 HydrophobicContact CG2-CD2 4.48Å; V46-F81 HydrophobicContact CG2-CE2 4.29Å; V46-F81 HydrophobicContact CG2-CZ 4.32Å; I48-F81 HydrophobicContact CD1-CD2 3.79Å; I48-F81 HydrophobicContact CD1-CE2 4.39Å; S77-F81 WeakPolarHBondContact O-CD2 3.23Å; S77-F81 PolarHBondContact O-N 2.94Å; A78-F81 PolarHBondContact O-N 3.27Å; F81-R83 PolarHBondContact O-N 3.39Å; F81-S84 CarbonylContact O-C 3.57Å; F81-S84 WeakPolarHBondContact O-CA 3.41Å; F81-S84 PolarHBondContact O-N 3.48Å; F81-S84 VanDerWaalsContact O-N 3.08Å; F81-N85 PolarHBondContact O-N 2.97Å; F81-Y86 HydrophobicContact CB-CG 4.42Å; F81-Y86 AromaticContact CD1-CD1 3.89Å; F81-Y86 HydrophobicContact CD1-CD1 3.89Å; F81-Y86 AromaticContact CD1-CD2 3.97Å; F81-Y86 HydrophobicContact CD1-CD2 3.97Å; F81-Y86 HydrophobicContact CD1-CE1 4.06Å; F81-Y86 HydrophobicContact CD1-CE2 4.16Å; F81-Y86 AromaticContact CD1-CG 3.86Å; F81-Y86 HydrophobicContact CD1-CG 3.86Å; F81-Y86 HydrophobicContact CE1-CD1 4.39Å; F81-Y86 HydrophobicContact CE1-CE1 4.15Å; F81-Y86 WeakPolarHBondContact O-CB 3.49Å; F81-Y86 PolarHBondContact O-N 3.34Å; F81-Y86 VanDerWaalsContact O-N 3.09Å; F81-V88 HydrophobicContact CB-CG2 3.87Å; F81-Y227 AromaticContact CE2-CD2 3.97Å; F81-Y227 HydrophobicContact CE2-CD2 3.97Å; F81-Y227 HydrophobicContact CE2-CE2 4.41Å; F81-Y227 HydrophobicContact CE2-CG 4.35Å; F81-Y227 HydrophobicContact CZ-CD2 4.34Å; F81-I302 HydrophobicContact CZ-CD1 4.46Å; F81-I382 HydrophobicContact CD1-CG2 4.26Å; F81-I382 HydrophobicContact CD2-CG2 4.12Å; F81-I382 HydrophobicContact CE1-CG2 4.25Å; F81-I382 HydrophobicContact CE2-CD1 3.95Å; F81-I382 HydrophobicContact CE2-CG2 4.1Å; F81-I382 HydrophobicContact CG-CG2 4.19Å; F81-I382 HydrophobicContact CZ-CD1 4.46Å; F81-I382 HydrophobicContact CZ-CG2 4.16Å; F81-I386 HydrophobicContact CD1-CD1 3.89Å; F81-I386 HydrophobicContact CD1-CG1 3.94Å; F81-I386 HydrophobicContact CE1-CD1 4.06Å; F81-I386 HydrophobicContact CE1-CG1 3.62Å
82L98.6Very high98Very high5 Ų515.5 Ų15.53%0.0267%0.074CC..Hα-helixtrans-59-46.2175.4-74.4165.8000111.6A78 E79 Y80 S84 N85 V88 F100 Y182 L186A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 VanDerWaalsContact O-CG 3.25Å; A78-L82 WeakPolarHBondContact O-CG 3.16Å; A78-L82 PolarHBondContact O-N 3.23Å; E79-L82 PolarHBondContact O-N 2.93Å; Y80-L82 PolarHBondContact O-N 3.49Å; L82-S84 PolarHBondContact O-N 3.37Å; L82-N85 PolarHBondContact O-N 3.48Å; L82-N85 VanDerWaalsContact O-N 3.16Å; L82-V88 HydrophobicContact CD1-CG2 4.5Å; L82-V88 HydrophobicContact CD2-CB 4.11Å; L82-V88 HydrophobicContact CD2-CG2 3.82Å; L82-V88 HydrophobicContact CG-CB 4.22Å; L82-V88 HydrophobicContact CG-CG2 3.64Å; L82-F100 HydrophobicContact CD1-CE2 3.6Å; L82-F100 HydrophobicContact CD1-CZ 3.63Å; L82-Y182 HydrophobicContact CB-CD1 4.21Å; L82-Y182 HydrophobicContact CB-CG 4.1Å; L82-L186 HydrophobicContact CD1-CB 4.21Å; L82-L186 HydrophobicContact CD1-CD1 4.46Å; L82-L186 HydrophobicContact CD2-CB 4.45Å
83R97.5Very high98.1Very high79 Ų7915.7 Ų15.730%0.2987%0.073SC..Hα-helixtrans-62.1-25.9175.9-70.8177.6-167.8107.25.3112.6E79 Y80 F81 E178 Y182E79-R83 WeakPolarHBondContact O-CB 3.32Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.28Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 IonicContact OE2-CZ 2.69Å; E79-R83 IonicContact OE2-NH1 3.93Å; E79-R83 PolarHBondContact OE2-NH1 3Å; E79-R83 IonicContact OE2-NH2 2.99Å; E79-R83 PolarHBondContact OE2-NH2 3.2Å; Y80-R83 PolarHBondContact O-N 2.65Å; F81-R83 PolarHBondContact O-N 3.39Å; R83-E178 IonicContact CZ-OE2 4Å; R83-E178 IonicContact NE-OE2 2.81Å; R83-E178 PolarHBondContact NE-OE2 2.83Å; R83-E178 IonicContact NH2-OE1 3.81Å; R83-E178 PolarHBondContact NH2-OE1 3.4Å; R83-E178 IonicContact NH2-OE2 2.73Å; R83-E178 PolarHBondContact NH2-OE2 2.87Å; R83-Y182 HydrophobicContact CG-CE2 3.89Å
84S97.9Very high98.1Very high45 Ų4519.7 Ų19.732%0.3159%0.092SC..THydrogen-bonded Turntrans-9526177-59.20000114.1Y80 F81 L82 Y86 I386Y80-S84 WeakPolarHBondContact O-CB 3.46Å; Y80-S84 PolarHBondContact O-N 3.19Å; Y80-S84 PolarHBondContact O-OG 3.5Å; F81-S84 CarbonylContact O-C 3.57Å; F81-S84 WeakPolarHBondContact O-CA 3.41Å; F81-S84 PolarHBondContact O-N 3.48Å; F81-S84 VanDerWaalsContact O-N 3.08Å; L82-S84 PolarHBondContact O-N 3.37Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 WeakPolarHBondContact O-CD2 3.38Å; S84-Y86 PolarHBondContact O-N 2.95Å; S84-I386 WeakPolarHBondContact OG-CD1 3.41Å
85N97.8Very high97.9Very high60 Ų6023.2 Ų23.232%0.32113%0.127SC..THydrogen-bonded Turntrans63.931.9173-170.262.8000113.9T41 I42 F81 L82T41-N85 PolarHBondContact O-ND2 3Å; T41-N85 PolarHBondContact OG1-OD1 2.89Å; I42-N85 VanDerWaalsContact CG1-OD1 3.25Å; I42-N85 WeakPolarHBondContact CG1-OD1 3.41Å; F81-N85 PolarHBondContact O-N 2.97Å; L82-N85 PolarHBondContact O-N 3.48Å; L82-N85 VanDerWaalsContact O-N 3.16Å
86Y98.7Very high97.8Very high2 Ų223.8 Ų23.81%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-95.2145.8164.2-73.1-119.1000110K44 V46 F81 S84 I386 H389K44-Y86 HydrophobicContact CB-CD1 3.55Å; K44-Y86 HydrophobicContact CB-CD2 4.27Å; K44-Y86 HydrophobicContact CB-CE1 3.65Å; K44-Y86 HydrophobicContact CB-CE2 4.33Å; K44-Y86 HydrophobicContact CB-CG 3.88Å; K44-Y86 HydrophobicContact CD-CD2 4.5Å; K44-Y86 HydrophobicContact CD-CE1 4.09Å; K44-Y86 HydrophobicContact CD-CE2 3.84Å; K44-Y86 VanDerWaalsContact CE-CE2 3.49Å; K44-Y86 HydrophobicContact CG-CE1 4.28Å; K44-Y86 WeakPolarHBondContact O-CA 3.31Å; V46-Y86 HydrophobicContact CB-CD1 3.97Å; V46-Y86 HydrophobicContact CG1-CD1 4.05Å; V46-Y86 HydrophobicContact CG1-CG 4.5Å; F81-Y86 HydrophobicContact CB-CG 4.42Å; F81-Y86 AromaticContact CD1-CD1 3.89Å; F81-Y86 HydrophobicContact CD1-CD1 3.89Å; F81-Y86 AromaticContact CD1-CD2 3.97Å; F81-Y86 HydrophobicContact CD1-CD2 3.97Å; F81-Y86 HydrophobicContact CD1-CE1 4.06Å; F81-Y86 HydrophobicContact CD1-CE2 4.16Å; F81-Y86 AromaticContact CD1-CG 3.86Å; F81-Y86 HydrophobicContact CD1-CG 3.86Å; F81-Y86 HydrophobicContact CE1-CD1 4.39Å; F81-Y86 HydrophobicContact CE1-CE1 4.15Å; F81-Y86 WeakPolarHBondContact O-CB 3.49Å; F81-Y86 PolarHBondContact O-N 3.34Å; F81-Y86 VanDerWaalsContact O-N 3.09Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 WeakPolarHBondContact O-CD2 3.38Å; S84-Y86 PolarHBondContact O-N 2.95Å; Y86-I386 HydrophobicContact CD2-CD1 4.5Å; Y86-I386 HydrophobicContact CE2-CD1 4.02Å; Y86-I386 HydrophobicContact CE2-CG1 3.91Å; Y86-I386 HydrophobicContact CE2-CG2 4.08Å; Y86-H389 AromaticContact CE1-CE1 3.96Å; Y86-H389 AromaticContact CE1-ND1 3.64Å; Y86-H389 AromaticContact CZ-ND1 3.67Å; Y86-H389 PolarHBondContact OH-ND1 3.24Å
87A98.8Very high97.8Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-81.9138156.400000109.3W32 I36 I42 K44 I45 V46W32-A87 HydrophobicContact CH2-CB 3.95Å; W32-A87 HydrophobicContact CZ2-CB 3.74Å; I36-A87 HydrophobicContact CB-CB 4.45Å; I36-A87 HydrophobicContact CD1-CB 3.5Å; I36-A87 VanDerWaalsContact CD1-CB 3.5Å; I36-A87 HydrophobicContact CG1-CB 3.68Å; I36-A87 HydrophobicContact CG2-CB 3.85Å; I42-A87 HydrophobicContact CG2-CB 3.96Å; K44-A87 PolarHBondContact O-N 2.91Å; I45-A87 WeakPolarHBondContact CA-O 3.38Å; I45-A87 HydrophobicContact CG1-CB 4.28Å; V46-A87 PolarHBondContact N-O 3.42Å
88V98.9Very high97.7Very high0 Ų026.4 Ų26.40%015%0.145CC..EExtended strand (participates in β ladder)trans-114.7119.8-175.4178.60000110.4W32 V46 I48 A78 F81 L82 Y185 L186 F187W32-V88 WeakPolarHBondContact CZ2-O 3.28Å; V46-V88 HydrophobicContact CG1-CB 4.37Å; V46-V88 HydrophobicContact CG1-CG1 4.44Å; V46-V88 HydrophobicContact CG1-CG2 3.7Å; V46-V88 WeakPolarHBondContact O-CA 3.39Å; I48-V88 HydrophobicContact CD1-CG1 3.73Å; I48-V88 HydrophobicContact CG1-CG1 4.11Å; A78-V88 HydrophobicContact CB-CG1 3.99Å; F81-V88 HydrophobicContact CB-CG2 3.87Å; L82-V88 HydrophobicContact CD1-CG2 4.5Å; L82-V88 HydrophobicContact CD2-CB 4.11Å; L82-V88 HydrophobicContact CD2-CG2 3.82Å; L82-V88 HydrophobicContact CG-CB 4.22Å; L82-V88 HydrophobicContact CG-CG2 3.64Å; V88-Y185 PolarHBondContact N-O 2.94Å; V88-L186 HydrophobicContact CB-CD1 4.02Å; V88-L186 HydrophobicContact CG1-CD1 3.88Å; V88-L186 CarbonylContact O-C 3.52Å; V88-L186 WeakPolarHBondContact O-CA 3.21Å; V88-F187 PolarHBondContact O-N 2.86Å
89L98.8Very high97.6Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-93105.5162.9-165.7166.1000107.5L29 W32 V46 C47 I48 F91 F187 I204 L208L29-L89 HydrophobicContact CD1-CD1 3.88Å; W32-L89 HydrophobicContact CH2-CB 4.13Å; W32-L89 HydrophobicContact CZ3-CB 4.35Å; V46-L89 PolarHBondContact O-N 3.21Å; C47-L89 CarbonylContact C-O 3.51Å; C47-L89 VanDerWaalsContact CA-O 3.28Å; C47-L89 WeakPolarHBondContact CA-O 3.2Å; C47-L89 HydrophobicContact CB-CB 4.47Å; I48-L89 PolarHBondContact N-O 2.87Å; L89-F91 HydrophobicContact CD2-CB 4.24Å; L89-F187 CarbonylContact C-O 3.56Å; L89-F187 WeakPolarHBondContact CA-O 3.34Å; L89-F187 HydrophobicContact CD2-CD1 4.47Å; L89-F187 HydrophobicContact CG-CD1 3.97Å; L89-I204 HydrophobicContact CD1-CG2 3.66Å; L89-I204 HydrophobicContact CD2-CD1 3.99Å; L89-I204 HydrophobicContact CD2-CG1 4.38Å; L89-I204 HydrophobicContact CD2-CG2 4.14Å; L89-L208 HydrophobicContact CD1-CD1 4.26Å; L89-L208 HydrophobicContact CD1-CD2 4.32Å; L89-L208 HydrophobicContact CD1-CG 4.49Å
90Y98.9Very high97.5Very high0 Ų026.6 Ų26.60%015%0.147CC..EExtended strand (participates in β ladder)trans-96.998.3-176.6-166.4-111.2000110.2I48 S50 G74 A75 A78 H92 L97 L98 P99 L186 F187 T188 L189I48-Y90 HydrophobicContact CB-CD2 3.97Å; I48-Y90 HydrophobicContact CB-CE2 4.45Å; I48-Y90 HydrophobicContact CG2-CD2 3.85Å; I48-Y90 HydrophobicContact CG2-CE2 3.81Å; S50-Y90 VanDerWaalsContact CB-CZ 3.46Å; S50-Y90 WeakPolarHBondContact CB-OH 2.83Å; S50-Y90 PolarHBondContact OG-OH 3.2Å; G74-Y90 WeakPolarHBondContact O-CE2 3.19Å; A75-Y90 WeakPolarHBondContact CA-OH 3.2Å; A75-Y90 PolarHBondContact N-OH 3.22Å; A75-Y90 VanDerWaalsContact N-OH 3.14Å; A78-Y90 HydrophobicContact CB-CD2 3.98Å; A78-Y90 HydrophobicContact CB-CE2 4.18Å; Y90-H92 HydrophobicContact CD1-CB 3.7Å; Y90-H92 AromaticContact CD1-CD2 3.51Å; Y90-H92 AromaticContact CD1-CG 3.74Å; Y90-H92 HydrophobicContact CE1-CB 3.39Å; Y90-H92 AromaticContact CE1-CD2 3.87Å; Y90-H92 AromaticContact CE1-CG 3.61Å; Y90-L97 PolarHBondContact OH-O 3.03Å; Y90-L98 HydrophobicContact CD1-CD2 4.05Å; Y90-L98 HydrophobicContact CE1-CD2 3.83Å; Y90-P99 HydrophobicContact CD1-CG 4.27Å; Y90-P99 HydrophobicContact CD2-CG 4.21Å; Y90-P99 HydrophobicContact CE1-CG 4.26Å; Y90-P99 HydrophobicContact CE2-CG 4.22Å; Y90-P99 HydrophobicContact CG-CG 4.25Å; Y90-L186 HydrophobicContact CG-CD1 4.49Å; Y90-F187 PolarHBondContact N-O 2.77Å; Y90-T188 HydrophobicContact CD1-CG2 4.38Å; Y90-T188 WeakPolarHBondContact O-CA 3.44Å; Y90-L189 PolarHBondContact O-N 3.23Å
91F98.7Very high97.2Very high2 Ų229.2 Ų29.21%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-94.3105.3178-175.9-142.1000109.6I48 T49 S50 L89 L189 F191 Y197 L201 I204I48-F91 PolarHBondContact O-N 2.83Å; T49-F91 CarbonylContact C-O 3.54Å; T49-F91 WeakPolarHBondContact CA-O 3.28Å; T49-F91 HydrophobicContact CG2-CD1 4.06Å; S50-F91 PolarHBondContact N-O 3.36Å; L89-F91 HydrophobicContact CD2-CB 4.24Å; F91-L189 CarbonylContact C-O 3.43Å; F91-L189 VanDerWaalsContact CA-O 3.28Å; F91-L189 WeakPolarHBondContact CA-O 3.35Å; F91-L189 HydrophobicContact CD2-CB 3.95Å; F91-L189 HydrophobicContact CD2-CD2 3.76Å; F91-L189 HydrophobicContact CD2-CG 3.65Å; F91-L189 WeakPolarHBondContact CD2-O 3.45Å; F91-L189 HydrophobicContact CE2-CD2 3.94Å; F91-L189 HydrophobicContact CE2-CG 3.9Å; F91-F191 HydrophobicContact CD1-CD1 4.14Å; F91-F191 HydrophobicContact CD1-CE1 4.41Å; F91-F191 AromaticContact CD2-CD1 3.74Å; F91-F191 HydrophobicContact CD2-CD1 3.74Å; F91-F191 AromaticContact CE1-CD1 3.93Å; F91-F191 HydrophobicContact CE1-CD1 3.93Å; F91-F191 HydrophobicContact CE1-CE1 4.47Å; F91-F191 HydrophobicContact CE2-CB 3.7Å; F91-F191 AromaticContact CE2-CD1 3.53Å; F91-F191 HydrophobicContact CE2-CD1 3.53Å; F91-F191 HydrophobicContact CE2-CG 4.07Å; F91-F191 HydrophobicContact CG-CD1 4.04Å; F91-F191 HydrophobicContact CG-CE1 4.43Å; F91-F191 HydrophobicContact CZ-CB 3.78Å; F91-F191 AromaticContact CZ-CD1 3.62Å; F91-F191 HydrophobicContact CZ-CD1 3.62Å; F91-F191 HydrophobicContact CZ-CG 4.03Å; F91-F191 WeakPolarHBondContact O-CE1 3.34Å; F91-Y197 HydrophobicContact CD1-CD2 4.48Å; F91-Y197 AromaticContact CE1-CD2 3.95Å; F91-Y197 HydrophobicContact CE1-CD2 3.95Å; F91-Y197 HydrophobicContact CE1-CE2 4.42Å; F91-Y197 WeakPolarHBondContact CE1-O 3.26Å; F91-L201 HydrophobicContact CE1-CB 4.26Å; F91-I204 HydrophobicContact CB-CD1 3.82Å; F91-I204 HydrophobicContact CD1-CD1 3.63Å; F91-I204 HydrophobicContact CD2-CD1 3.92Å; F91-I204 HydrophobicContact CE1-CD1 4.14Å; F91-I204 HydrophobicContact CE2-CD1 4.38Å; F91-I204 HydrophobicContact CG-CD1 3.52Å; F91-I204 HydrophobicContact CZ-CD1 4.49Å
92H98.5Very high96.8Very high16 Ų1629.1 Ų29.17%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-133.9156.8-163.573.590.4000114S50 Y90 K94 S96 L98 L189 D190 F191S50-H92 CarbonylContact O-C 3.48Å; S50-H92 VanDerWaalsContact O-CA 3.25Å; S50-H92 WeakPolarHBondContact O-CA 3.41Å; Y90-H92 HydrophobicContact CD1-CB 3.7Å; Y90-H92 AromaticContact CD1-CD2 3.51Å; Y90-H92 AromaticContact CD1-CG 3.74Å; Y90-H92 HydrophobicContact CE1-CB 3.39Å; Y90-H92 AromaticContact CE1-CD2 3.87Å; Y90-H92 AromaticContact CE1-CG 3.61Å; H92-K94 PolarHBondContact O-N 2.76Å; H92-S96 PolarHBondContact ND1-OG 2.84Å; H92-L98 VanDerWaalsContact CE1-CD2 3.46Å; H92-L98 WeakPolarHBondContact CE1-CD2 3.32Å; H92-L98 WeakPolarHBondContact NE2-CD2 3.08Å; H92-L189 PolarHBondContact CD2-O 3.46Å; H92-L189 PolarHBondContact N-O 3.2Å; H92-D190 CarbonylContact O-C 3.56Å; H92-D190 WeakPolarHBondContact O-CA 3.45Å; H92-F191 VanDerWaalsContact C-CD1 3.41Å; H92-F191 WeakPolarHBondContact O-CD1 3.44Å; H92-F191 PolarHBondContact O-N 3.34Å
93R97.5Very high96.3Very high33 Ų3331.2 Ų31.213%0.12517%0.169CC..EExtended strand (participates in β ladder)trans-64.2134.6171.8-171.8-157-175.9147.5-17.7109.7S50 G52 I54 D66 G95 S96 F191S50-R93 PolarHBondContact O-N 3.02Å; G52-R93 WeakPolarHBondContact O-CB 3.48Å; G52-R93 WeakPolarHBondContact O-CD 3.37Å; G52-R93 WeakPolarHBondContact O-CG 3.41Å; G52-R93 PolarHBondContact O-NH1 2.92Å; I54-R93 VanDerWaalsContact CG2-NH2 3.25Å; D66-R93 IonicContact OD1-CZ 3.62Å; D66-R93 IonicContact OD1-NH1 3.21Å; D66-R93 PolarHBondContact OD1-NH1 2.78Å; D66-R93 IonicContact OD1-NH2 2.67Å; D66-R93 IonicContact OD2-CZ 2.9Å; D66-R93 IonicContact OD2-NH1 3.49Å; D66-R93 PolarHBondContact OD2-NH1 3.1Å; D66-R93 IonicContact OD2-NH2 2.9Å; D66-R93 PolarHBondContact OD2-NH2 3.38Å; R93-G95 PolarHBondContact O-N 3.21Å; R93-S96 WeakPolarHBondContact O-CB 3.4Å; R93-S96 PolarHBondContact O-N 2.78Å; R93-S96 PolarHBondContact O-OG 2.95Å; R93-F191 CarbonylContact C-O 3.58Å; R93-F191 VanDerWaalsContact CA-O 3.25Å; R93-F191 WeakPolarHBondContact CA-O 3.33Å; R93-F191 HydrophobicContact CB-CD2 4.44Å; R93-F191 HydrophobicContact CB-CE2 3.89Å; R93-F191 HydrophobicContact CB-CZ 4.11Å; R93-F191 HydrophobicContact CG-CE2 4.44Å
94K95.7Very high95.7Very high128 Ų12828.4 Ų28.456%0.55716%0.161SC*.THydrogen-bonded Turntrans-53.4128.1169.3-173.3176.2-179.6179.60110.2H92 S96 D190 F191H92-K94 PolarHBondContact O-N 2.76Å; K94-S96 VanDerWaalsContact C-N 3.31Å; K94-S96 PolarHBondContact O-N 2.85Å; K94-D190 HydrophobicContact CB-CB 4.36Å; K94-F191 PolarHBondContact N-O 3.2Å
95G93.7Very high94.6Very high74 Ų7429.4 Ų29.476%0.76317%0.165SC*.THydrogen-bonded Turntrans82.2-4.4-177.400000115.6R93R93-G95 PolarHBondContact O-N 3.21Å
96S95.8Very high92.9Very high13 Ų1328.3 Ų28.39%0.09116%0.16CC..SBendtrans-70.4166.3170.173.60000111.7H92 R93 K94 L98H92-S96 PolarHBondContact ND1-OG 2.84Å; R93-S96 WeakPolarHBondContact O-CB 3.4Å; R93-S96 PolarHBondContact O-N 2.78Å; R93-S96 PolarHBondContact O-OG 2.95Å; K94-S96 VanDerWaalsContact C-N 3.31Å; K94-S96 PolarHBondContact O-N 2.85Å; S96-L98 PolarHBondContact O-N 2.88Å
97L95.7Very high90.7Very high9 Ų932.5 Ų32.55%0.04718%0.179CC..  trans-58.8133.2174.7-67.9-179.4000112.1T70 L72 A75 Y90 H102 Q107T70-L97 WeakPolarHBondContact O-CB 3.32Å; T70-L97 WeakPolarHBondContact O-CG 3.43Å; T70-L97 PolarHBondContact O-N 3.36Å; L72-L97 HydrophobicContact CB-CD1 3.76Å; L72-L97 HydrophobicContact CD1-CD1 3.8Å; L72-L97 HydrophobicContact CG-CD1 4.32Å; A75-L97 HydrophobicContact CB-CB 4.19Å; Y90-L97 PolarHBondContact OH-O 3.03Å; L97-H102 HydrophobicContact CB-CB 3.92Å; L97-H102 HydrophobicContact CD1-CB 4.16Å; L97-H102 HydrophobicContact CD2-CB 3.63Å; L97-H102 HydrophobicContact CG-CB 4.12Å; L97-Q107 HydrophobicContact CD2-CB 4.03Å; L97-Q107 HydrophobicContact CD2-CG 4.47Å
98L96.7Very high88.3Confident51 Ų5135.8 Ų35.827%0.26719%0.194SC..  trans-104.3145.8177.4-72179.1000110.2Y90 H92 S96 F100 L101 H102 T188Y90-L98 HydrophobicContact CD1-CD2 4.05Å; Y90-L98 HydrophobicContact CE1-CD2 3.83Å; H92-L98 VanDerWaalsContact CE1-CD2 3.46Å; H92-L98 WeakPolarHBondContact CE1-CD2 3.32Å; H92-L98 WeakPolarHBondContact NE2-CD2 3.08Å; S96-L98 PolarHBondContact O-N 2.88Å; L98-F100 PolarHBondContact O-N 2.88Å; L98-L101 HydrophobicContact CB-CB 4.04Å; L98-L101 HydrophobicContact CB-CD2 4.35Å; L98-L101 HydrophobicContact CD1-CD2 3.93Å; L98-L101 PolarHBondContact O-N 3.03Å; L98-H102 PolarHBondContact O-CD2 2.65Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 2.9Å; L98-T188 HydrophobicContact CD2-CG2 4.46Å
99P97Very high85.8Confident6 Ų639.4 Ų39.44%0.03921%0.211CC..THydrogen-bonded Turntrans-52.9139.5173.5-22.433.2000110.6A78 E79 Y90 L101 L186A78-P99 HydrophobicContact CB-CB 4.09Å; A78-P99 HydrophobicContact CB-CG 3.49Å; A78-P99 VanDerWaalsContact CB-CG 3.49Å; E79-P99 HydrophobicContact CG-CB 3.92Å; Y90-P99 HydrophobicContact CD1-CG 4.27Å; Y90-P99 HydrophobicContact CD2-CG 4.21Å; Y90-P99 HydrophobicContact CE1-CG 4.26Å; Y90-P99 HydrophobicContact CE2-CG 4.22Å; Y90-P99 HydrophobicContact CG-CG 4.25Å; P99-L101 PolarHBondContact O-N 3.44Å; P99-L186 HydrophobicContact CB-CD2 4.01Å; P99-L186 HydrophobicContact CG-CD1 4.27Å; P99-L186 HydrophobicContact CG-CD2 4.05Å
100F94.6Very high83.2Confident3 Ų342.3 Ų42.31%0.01323%0.227CC..THydrogen-bonded Turntrans66.7-43.8-175.3-43.4-72.9000115E79 L82 L98 H102 R103 I175 E178 Y179 Y182 L186E79-F100 HydrophobicContact CB-CE1 4.16Å; E79-F100 HydrophobicContact CB-CZ 4.42Å; E79-F100 HydrophobicContact CG-CD1 3.92Å; E79-F100 HydrophobicContact CG-CE1 3.75Å; E79-F100 HydrophobicContact CG-CE2 4.5Å; E79-F100 HydrophobicContact CG-CG 4.4Å; E79-F100 HydrophobicContact CG-CZ 4.07Å; E79-F100 WeakPolarHBondContact OE1-CA 3.37Å; E79-F100 PolarHBondContact OE1-N 2.7Å; L82-F100 HydrophobicContact CD1-CE2 3.6Å; L82-F100 HydrophobicContact CD1-CZ 3.63Å; L98-F100 PolarHBondContact O-N 2.88Å; F100-H102 PolarHBondContact O-N 3.08Å; F100-R103 WeakPolarHBondContact O-CB 3.38Å; F100-R103 PolarHBondContact O-N 2.74Å; F100-I175 HydrophobicContact CB-CG2 4.21Å; F100-I175 WeakPolarHBondContact O-CG2 3.31Å; F100-E178 HydrophobicContact CD1-CB 4.17Å; F100-E178 HydrophobicContact CE1-CB 3.98Å; F100-Y179 HydrophobicContact CB-CD2 4.46Å; F100-Y179 AromaticContact CD2-CD2 3.75Å; F100-Y179 HydrophobicContact CD2-CD2 3.75Å; F100-Y179 HydrophobicContact CE2-CD2 4.39Å; F100-Y179 HydrophobicContact CG-CD2 4.33Å; F100-Y182 HydrophobicContact CE1-CD2 4.32Å; F100-Y182 HydrophobicContact CZ-CD2 4.11Å; F100-Y182 HydrophobicContact CZ-CG 4.44Å; F100-L186 HydrophobicContact CD2-CD2 4.43Å; F100-L186 HydrophobicContact CE2-CD2 4.28Å
101L92.4Very high80.5Confident85 Ų8544.2 Ų44.245%0.44524%0.235SC..G310 helixtrans-70.4-29.5-176.7-173.466.2000113.1L98 P99 R103 V104 T105L98-L101 HydrophobicContact CB-CB 4.04Å; L98-L101 HydrophobicContact CB-CD2 4.35Å; L98-L101 HydrophobicContact CD1-CD2 3.93Å; L98-L101 PolarHBondContact O-N 3.03Å; P99-L101 PolarHBondContact O-N 3.44Å; L101-R103 PolarHBondContact O-N 2.81Å; L101-V104 HydrophobicContact CD1-CB 4.2Å; L101-V104 HydrophobicContact CD1-CG1 4.42Å; L101-V104 WeakPolarHBondContact O-CA 3.25Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.2Å; L101-T105 HydrophobicContact CG-CG2 4.38Å; L101-T105 PolarHBondContact O-N 2.9Å; L101-T105 VanDerWaalsContact O-N 3.1Å
102H91Very high77.8Confident1 Ų149.8 Ų49.81%0.00526%0.26CS..G310 helixtrans-58.4-28.1176.472.793.3000113.6L76 E79 L97 L98 F100 V104 T105 Q108L76-H102 WeakPolarHBondContact CD2-CE1 3.25Å; E79-H102 IonicContact OE1-CD2 3.45Å; E79-H102 PolarHBondContact OE1-CD2 2.88Å; E79-H102 IonicContact OE1-CE1 2.77Å; E79-H102 IonicContact OE1-NE2 2.84Å; E79-H102 PolarHBondContact OE1-NE2 2.62Å; L97-H102 HydrophobicContact CB-CB 3.92Å; L97-H102 HydrophobicContact CD1-CB 4.16Å; L97-H102 HydrophobicContact CD2-CB 3.63Å; L97-H102 HydrophobicContact CG-CB 4.12Å; L98-H102 PolarHBondContact O-CD2 2.65Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 2.9Å; F100-H102 PolarHBondContact O-N 3.08Å; H102-V104 VanDerWaalsContact C-N 3.3Å; H102-T105 PolarHBondContact O-OG1 3.2Å; H102-Q108 PolarHBondContact CE1-NE2 3.24Å; H102-Q108 VanDerWaalsContact CE1-NE2 3.26Å; H102-Q108 PolarHBondContact ND1-NE2 3.4Å; H102-Q108 VanDerWaalsContact ND1-NE2 3.13Å
103R87.9Confident75Confident48 Ų4854 Ų5418%0.18128%0.28CS..G310 helixtrans-72.4-26.7175-56-174.8-69.7179.92.5112E79 F100 L101 F171 I175 E178E79-R103 IonicContact OE1-NE 3.53Å; E79-R103 IonicContact OE2-CZ 3.61Å; E79-R103 IonicContact OE2-NH1 2.73Å; F100-R103 WeakPolarHBondContact O-CB 3.38Å; F100-R103 PolarHBondContact O-N 2.74Å; L101-R103 PolarHBondContact O-N 2.81Å; R103-F171 WeakPolarHBondContact O-CZ 3.1Å; R103-I175 HydrophobicContact CB-CD1 3.68Å; R103-I175 HydrophobicContact CB-CG1 4.31Å; R103-E178 IonicContact CZ-OE1 2.71Å; R103-E178 VanDerWaalsContact CZ-OE1 3.25Å; R103-E178 IonicContact NH1-OE1 2.67Å; R103-E178 PolarHBondContact NH1-OE1 2.63Å; R103-E178 IonicContact NH2-OE1 3.47Å; R103-E178 PolarHBondContact NH2-OE1 3.01Å
104V84.7Confident72.5Confident20 Ų2055.5 Ų55.512%0.12129%0.288CS..THydrogen-bonded Turntrans-82.5-38.6178.9175.60000110.8L101 H102 N106 I149 W152 L172 I175L101-V104 HydrophobicContact CD1-CB 4.2Å; L101-V104 HydrophobicContact CD1-CG1 4.42Å; L101-V104 WeakPolarHBondContact O-CA 3.25Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.2Å; H102-V104 VanDerWaalsContact C-N 3.3Å; V104-N106 PolarHBondContact O-N 2.79Å; V104-I149 HydrophobicContact CG1-CD1 4.08Å; V104-W152 HydrophobicContact CB-CH2 4.35Å; V104-W152 HydrophobicContact CB-CZ3 4.3Å; V104-W152 HydrophobicContact CG1-CH2 4.01Å; V104-W152 HydrophobicContact CG1-CZ3 3.54Å; V104-W152 WeakPolarHBondContact O-CH2 3.26Å; V104-L172 HydrophobicContact CG2-CD2 4.25Å; V104-I175 HydrophobicContact CG2-CD1 3.93Å; V104-I175 HydrophobicContact CG2-CG2 4.07Å
105T76Confident70Confident66 Ų6652 Ų5241%0.40527%0.273SS..THydrogen-bonded Turntrans-78.61.1-176.755.60000113.9L101 H102 Q107L101-T105 HydrophobicContact CG-CG2 4.38Å; L101-T105 PolarHBondContact O-N 2.9Å; L101-T105 VanDerWaalsContact O-N 3.1Å; H102-T105 PolarHBondContact O-OG1 3.2Å; T105-Q107 PolarHBondContact O-N 2.82Å
106N61.1Low67.5Low38 Ų3854.5 Ų54.520%0.20327%0.265CS..THydrogen-bonded Turntrans48.919.5-180-134.721.6000115.2V104 Q108 Q109 N145V104-N106 PolarHBondContact O-N 2.79Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.1Å; N106-Q109 PolarHBondContact O-N 3.44Å; N106-N145 PolarHBondContact ND2-O 3.35Å
107Q52.7Low65Low90 Ų9059.4 Ų59.442%0.42129%0.287SS..Hα-helixtrans-68-10.8-178.8-71.3-171.7-1700112.7L97 T105 Q109 N110 Y111L97-Q107 HydrophobicContact CD2-CB 4.03Å; L97-Q107 HydrophobicContact CD2-CG 4.47Å; T105-Q107 PolarHBondContact O-N 2.82Å; Q107-Q109 VanDerWaalsContact C-N 3.28Å; Q107-Q109 PolarHBondContact O-N 3.22Å; Q107-N110 PolarHBondContact O-N 3.04Å; Q107-Y111 PolarHBondContact O-N 3.3Å
108Q48.2Very low62.6Low68 Ų6862.5 Ų62.532%0.31830%0.301SS..Hα-helixtrans-63.2-30.6171.9-66.2-167.1-8.200112.8L72 H102 N106 Y111L72-Q108 HydrophobicContact CD1-CG 4.42Å; H102-Q108 PolarHBondContact CE1-NE2 3.24Å; H102-Q108 VanDerWaalsContact CE1-NE2 3.26Å; H102-Q108 PolarHBondContact ND1-NE2 3.4Å; H102-Q108 VanDerWaalsContact ND1-NE2 3.13Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.1Å; Q108-Y111 WeakPolarHBondContact O-CB 3.47Å; Q108-Y111 PolarHBondContact O-N 2.61Å
109Q47.1Very low60.2Low76 Ų7666 Ų6636%0.35532%0.315SS..Hα-helixtrans-77.8-33.1176.7-67.5-161.8-13.300112.4N106 Q107 Y111 H112 Q113 N145N106-Q109 PolarHBondContact O-N 3.44Å; Q107-Q109 VanDerWaalsContact C-N 3.28Å; Q107-Q109 PolarHBondContact O-N 3.22Å; Q109-Y111 PolarHBondContact O-N 3.2Å; Q109-H112 PolarHBondContact O-N 2.89Å; Q109-Q113 PolarHBondContact O-N 2.89Å; Q109-N145 PolarHBondContact OE1-O 3.42Å
110N42.8Very low57.6Low62 Ų6271.5 Ų71.533%0.33234%0.341SS..Hα-helixtrans-64.8-26.7171.4-72.3-7.7000112Q107 H112 Q113 E114Q107-N110 PolarHBondContact O-N 3.04Å; N110-H112 VanDerWaalsContact C-N 3.25Å; N110-H112 PolarHBondContact O-N 3.31Å; N110-Q113 CarbonylContact O-C 3.46Å; N110-Q113 PolarHBondContact O-N 3.42Å; N110-Q113 VanDerWaalsContact O-N 3.07Å; N110-E114 WeakPolarHBondContact O-CG 3.36Å; N110-E114 PolarHBondContact O-N 3.49Å
111Y42.6Very low55.3Low40 Ų4077.7 Ų77.716%0.15737%0.37CS..Hα-helixtrans-63.1-29.5171-174.1-113.8000113.2Q107 Q108 Q109 K115Q107-Y111 PolarHBondContact O-N 3.3Å; Q108-Y111 WeakPolarHBondContact O-CB 3.47Å; Q108-Y111 PolarHBondContact O-N 2.61Å; Q109-Y111 PolarHBondContact O-N 3.2Å; Y111-K115 HydrophobicContact CE1-CD 4.41Å; Y111-K115 WeakPolarHBondContact O-CB 3.03Å; Y111-K115 VanDerWaalsContact O-CG 3.26Å; Y111-K115 WeakPolarHBondContact O-CG 3.29Å; Y111-K115 PolarHBondContact O-N 3.35Å; Y111-K115 VanDerWaalsContact O-N 3.1Å
112H43.4Very low53.2Low118 Ų11879.5 Ų79.555%0.54638%0.376SS..Hα-helixtrans-76.6-26.7172.5-79.4-87.8000112.8Q109 N110 K115Q109-H112 PolarHBondContact O-N 2.89Å; N110-H112 VanDerWaalsContact C-N 3.25Å; N110-H112 PolarHBondContact O-N 3.31Å; H112-K115 WeakPolarHBondContact O-CB 3.41Å
113Q38.6Very low50.8Low105 Ų10586.2 Ų86.249%0.49141%0.407SS..Hα-helixtrans-79.2-41.6173.2-68.5179.7-6.200111.8Q109 N110 K115 E116 E117Q109-Q113 PolarHBondContact O-N 2.89Å; N110-Q113 CarbonylContact O-C 3.46Å; N110-Q113 PolarHBondContact O-N 3.42Å; N110-Q113 VanDerWaalsContact O-N 3.07Å; Q113-K115 PolarHBondContact O-N 2.94Å; Q113-E116 PolarHBondContact O-N 2.93Å; Q113-E117 PolarHBondContact O-N 3.2Å
114E45.3Very low48.3Very low64 Ų6492.6 Ų92.630%0.29944%0.437SS..Hα-helixtrans-59.7-33.7170.3-73.9176.4179.300111.3N110 E116 E117 E118N110-E114 WeakPolarHBondContact O-CG 3.36Å; N110-E114 PolarHBondContact O-N 3.49Å; E114-E116 VanDerWaalsContact C-N 3.3Å; E114-E116 PolarHBondContact O-N 2.85Å; E114-E117 PolarHBondContact O-N 3.14Å; E114-E118 VanDerWaalsContact O-CB 3.32Å; E114-E118 WeakPolarHBondContact O-CB 3.48Å; E114-E118 WeakPolarHBondContact O-CG 3.18Å; E114-E118 PolarHBondContact O-N 3.11Å
115K42.5Very low45.9Very low56 Ų5697 Ų9724%0.24347%0.467CS..Hα-helixtrans-59.9-35.5171.3-89.2176.5-179.11730113.5Y111 H112 Q113 Q119Y111-K115 HydrophobicContact CE1-CD 4.41Å; Y111-K115 WeakPolarHBondContact O-CB 3.03Å; Y111-K115 VanDerWaalsContact O-CG 3.26Å; Y111-K115 WeakPolarHBondContact O-CG 3.29Å; Y111-K115 PolarHBondContact O-N 3.35Å; Y111-K115 VanDerWaalsContact O-N 3.1Å; H112-K115 WeakPolarHBondContact O-CB 3.41Å; Q113-K115 PolarHBondContact O-N 2.94Å; K115-Q119 WeakPolarHBondContact O-CB 3.32Å; K115-Q119 WeakPolarHBondContact O-CG 3.21Å; K115-Q119 PolarHBondContact O-N 3.13Å; K115-Q119 PolarHBondContact O-NE2 2.69Å; K115-Q119 VanDerWaalsContact O-NE2 3.11Å
116E41.8Very low44.1Very low125 Ų12599.2 Ų99.258%0.58448%0.481SS*.Hα-helixtrans-77.1-39.2176.7-71-176.6177.800110.6Q113 E114 Q120Q113-E116 PolarHBondContact O-N 2.93Å; E114-E116 VanDerWaalsContact C-N 3.3Å; E114-E116 PolarHBondContact O-N 2.85Å; E116-Q120 VanDerWaalsContact O-CB 3.24Å; E116-Q120 WeakPolarHBondContact O-CB 3.17Å; E116-Q120 WeakPolarHBondContact O-CG 3.34Å; E116-Q120 PolarHBondContact O-N 3.25Å; E116-Q120 PolarHBondContact O-NE2 3.06Å
117E42.8Very low42.6Very low117 Ų117106.2 Ų106.255%0.54751%0.509SS..Hα-helixtrans-73.2-40.1179.9-67-174.1176.400113.5Q113 E114 Q120 Q121Q113-E117 PolarHBondContact O-N 3.2Å; E114-E117 PolarHBondContact O-N 3.14Å; E117-Q120 PolarHBondContact O-N 3.34Å; E117-Q121 WeakPolarHBondContact O-CB 3.38Å; E117-Q121 WeakPolarHBondContact O-CG 3.38Å; E117-Q121 PolarHBondContact O-N 2.75Å
118E46.5Very low41.6Very low74 Ų74110.7 Ų110.735%0.34653%0.53SS..Hα-helixtrans-67.9-38.6176.6-74.4-175.3166.800111.6E114 Q122E114-E118 VanDerWaalsContact O-CB 3.32Å; E114-E118 WeakPolarHBondContact O-CB 3.48Å; E114-E118 WeakPolarHBondContact O-CG 3.18Å; E114-E118 PolarHBondContact O-N 3.11Å; E118-Q122 PolarHBondContact O-N 3.26Å
119Q45.9Very low40.7Very low123 Ų123113.1 Ų113.158%0.57555%0.549SS*.Hα-helixtrans-69-37.9174-72.6176.851.100111.8K115 Q123K115-Q119 WeakPolarHBondContact O-CB 3.32Å; K115-Q119 WeakPolarHBondContact O-CG 3.21Å; K115-Q119 PolarHBondContact O-N 3.13Å; K115-Q119 PolarHBondContact O-NE2 2.69Å; K115-Q119 VanDerWaalsContact O-NE2 3.11Å; Q119-Q123 PolarHBondContact O-N 3.39Å
120Q42Very low39.9Very low123 Ų123116.8 Ų116.858%0.57557%0.571SS**Hα-helixtrans-70.1-38.6176.1-75.5173.744.100112.4E116 E117 Q122 K124E116-Q120 VanDerWaalsContact O-CB 3.24Å; E116-Q120 WeakPolarHBondContact O-CB 3.17Å; E116-Q120 WeakPolarHBondContact O-CG 3.34Å; E116-Q120 PolarHBondContact O-N 3.25Å; E116-Q120 PolarHBondContact O-NE2 3.06Å; E117-Q120 PolarHBondContact O-N 3.34Å; Q120-Q122 PolarHBondContact O-N 3.48Å; Q120-K124 WeakPolarHBondContact O-CB 3.47Å; Q120-K124 PolarHBondContact O-N 2.73Å; Q120-K124 VanDerWaalsContact O-N 3.09Å
121Q46.9Very low39.2Very low132 Ų132118.8 Ų118.862%0.61759%0.59SS**Hα-helixtrans-67.7-33177.3-77.9174.714.100112.7E117 C125E117-Q121 WeakPolarHBondContact O-CB 3.38Å; E117-Q121 WeakPolarHBondContact O-CG 3.38Å; E117-Q121 PolarHBondContact O-N 2.75Å; Q121-C125 PolarHBondContact O-N 3.34Å
122Q47.2Very low38.5Very low123 Ų123123.9 Ų123.958%0.57562%0.62SS**Hα-helixtrans-81.1-34176.7-77174.77.600113.7E118 Q120 K124 C125 T126E118-Q122 PolarHBondContact O-N 3.26Å; Q120-Q122 PolarHBondContact O-N 3.48Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 2.98Å; Q122-C125 PolarHBondContact O-N 3.03Å; Q122-T126 PolarHBondContact O-OG1 3.32Å
123Q40.6Very low37.8Very low142 Ų142125 Ų12566%0.66463%0.63SS**Hα-helixtrans-65.8-31.9170.4-80.3-177.37.300112.2Q119 C125 T126Q119-Q123 PolarHBondContact O-N 3.39Å; Q123-C125 VanDerWaalsContact C-N 3.28Å; Q123-C125 PolarHBondContact O-N 2.92Å; Q123-T126 PolarHBondContact O-N 3.16Å
124K36.5Very low37.3Very low183 Ų183128.3 Ų128.380%0.79665%0.65SS**Hα-helixtrans-67.6-26.5175.5-138.7172.4-173.4177.60113.4Q120 Q122 T126Q120-K124 WeakPolarHBondContact O-CB 3.47Å; Q120-K124 PolarHBondContact O-N 2.73Å; Q120-K124 VanDerWaalsContact O-N 3.09Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 2.98Å; K124-T126 VanDerWaalsContact C-N 3.32Å
125C33.3Very low36.4Very low112 Ų112132.1 Ų132.176%0.75767%0.671SS**THydrogen-bonded Turntrans-82.2-1175.8-75.70000114.4Q121 Q122 Q123Q121-C125 PolarHBondContact O-N 3.34Å; Q122-C125 PolarHBondContact O-N 3.03Å; Q123-C125 VanDerWaalsContact C-N 3.28Å; Q123-C125 PolarHBondContact O-N 2.92Å
126T39.1Very low35.6Very low113 Ų113136.8 Ų136.869%0.69370%0.699SS**THydrogen-bonded Turntrans-1291.9-178.432.50000117.2Q122 Q123 K124Q122-T126 PolarHBondContact O-OG1 3.32Å; Q123-T126 PolarHBondContact O-N 3.16Å; K124-T126 VanDerWaalsContact C-N 3.32Å
127K29.4Very low34.8Very low185 Ų185136.6 Ų136.680%0.80471%0.706SS**  trans-140.9106.1172.7-66.4-170.5179.6-178.50113.4
128E30.6Very low33.9Very low184 Ų184137 Ų13786%0.8672%0.717SS**  trans-62.3140.4152-85.7-178.4161.100110
129V30.4Very low33Very low119 Ų119140.7 Ų140.772%0.72174%0.739SS**  trans71.798.9160.5-174.50000115.9
130D28.9Very low32Very low152 Ų152139.5 Ų139.581%0.81375%0.745SS**  179.4131.982.7-112.9-26.9000111.1
131S29.7Very low31.4Very low104 Ų104141.6 Ų141.673%0.72776%0.76SS**  trans-77.9117.2174.1-55.30000109.1
132N27.6Very low30.6Very low148 Ų148139 Ų13979%0.79177%0.768SS**  trans160.1133.1136.3-78.7-28.5000111.1
133N28.1Very low29.9Very low142 Ų142139.3 Ų139.376%0.75977%0.773SS**  trans87.890.7168.8-53.1-26.3000117.3
134L28.6Very low29.6Very low173 Ų173141.9 Ų141.991%0.90679%0.785SS**  -141.9115.2126.7-140.776.8000110.4
135I26.2Very low29.8Very low144 Ų144135.9 Ų135.974%0.73876%0.762SS**  trans-72.5131.4179.7-71.1162.1000108.4T137I135-T137 PolarHBondContact O-N 3.41Å
136N25.7Very low30.4Very low154 Ų154135.7 Ų135.782%0.82475%0.754SS**  trans-62.694.6176.1-68.1-25.4000110.9T138N136-T138 PolarHBondContact O-N 3.39Å
137T25.5Very low31.1Very low121 Ų121133.1 Ų133.174%0.74274%0.735SS**  trans-72.4104.6157.738.60000108.4I135 N139I135-T137 PolarHBondContact O-N 3.41Å; T137-N139 VanDerWaalsContact C-N 3.32Å; T137-N139 PolarHBondContact O-N 3.46Å
138T23.8Very low33.1Very low126 Ų126130.6 Ų130.677%0.77373%0.726SS**  trans-62.490.716748.40000109.3N136 S140N136-T138 PolarHBondContact O-N 3.39Å; T138-S140 VanDerWaalsContact C-N 3.33Å; T138-S140 PolarHBondContact O-N 3.19Å; T138-S140 VanDerWaalsContact O-N 3.09Å
139N26.2Very low35.4Very low151 Ų151125.7 Ų125.781%0.80771%0.705SS**  trans-73.295.3160.9-85.6-13.4000108T137T137-N139 VanDerWaalsContact C-N 3.32Å; T137-N139 PolarHBondContact O-N 3.46Å
140S26.2Very low37.9Very low99 Ų99127.6 Ų127.669%0.69270%0.704SS**  trans-56.4138.8155.836.40000109.9T138T138-S140 VanDerWaalsContact C-N 3.33Å; T138-S140 PolarHBondContact O-N 3.19Å; T138-S140 VanDerWaalsContact O-N 3.09Å
141N29.2Very low40.5Very low167 Ų167124 Ų12489%0.89369%0.685SS**  trans89.848169.5-54.5-13.3000118.6
142G29.8Very low43.2Very low76 Ų76119.8 Ų119.878%0.78465%0.653SS**SBendtrans-131.656.9165.600000113.5
143N31.6Very low46.1Very low130 Ų130116 Ų11670%0.69563%0.63SS**  trans16.2116.2167-76.7-15.4000121.5N145N143-N145 VanDerWaalsContact C-N 3.3Å; N143-N145 PolarHBondContact O-N 2.9Å
144Q35.3Very low49Very low196 Ų196114.1 Ų114.192%0.91662%0.617SS**  trans-59.867.6162.1-62.8169.2-39.500113.8
145N41.4Very low51.9Low58 Ų58111.2 Ų111.231%0.3160%0.598SS.*  trans-101.137.2-178.7-81.61.9000114.7N106 Q109 N143 I147N106-N145 PolarHBondContact ND2-O 3.35Å; Q109-N145 PolarHBondContact OE1-O 3.42Å; N143-N145 VanDerWaalsContact C-N 3.3Å; N143-N145 PolarHBondContact O-N 2.9Å; N145-I147 HydrophobicContact CB-CD1 4.45Å; N145-I147 HydrophobicContact CB-CG1 4.21Å; N145-I147 PolarHBondContact O-N 3.17Å
146N44.8Very low54.9Low108 Ų108105.9 Ų105.958%0.57857%0.57SS**  trans-67.967.2149.3-82.7-13.3000108.6E148N146-E148 VanDerWaalsContact C-N 3.35Å; N146-E148 PolarHBondContact O-N 3.39Å
147I54.2Low57.9Low58 Ų58103.2 Ų103.230%0.29756%0.562SS.*  trans-73.597175.4-51.1174.3000106.2N145 I149 N151 W152N145-I147 HydrophobicContact CB-CD1 4.45Å; N145-I147 HydrophobicContact CB-CG1 4.21Å; N145-I147 PolarHBondContact O-N 3.17Å; I147-I149 PolarHBondContact O-N 3.49Å; I147-N151 HydrophobicContact CG2-CB 3.68Å; I147-W152 VanDerWaalsContact CG2-CD1 3.46Å
148E70.8Confident61.1Low132 Ų132105.9 Ų105.962%0.61757%0.566SS**  trans-50.5131.6165.3-65.2-175.416800108.3N146 F150 N151N146-E148 VanDerWaalsContact C-N 3.35Å; N146-E148 PolarHBondContact O-N 3.39Å; E148-F150 PolarHBondContact O-N 3.24Å; E148-N151 VanDerWaalsContact O-CB 3.26Å; E148-N151 WeakPolarHBondContact O-CB 3.25Å; E148-N151 PolarHBondContact O-N 2.98Å
149I80.5Confident64.3Low82 Ų82104.1 Ų104.142%0.42155%0.551SS.*G310 helixtrans-48.6-30.7-178.7-169167.6000112.7V104 I147 N151 W152 F153V104-I149 HydrophobicContact CG1-CD1 4.08Å; I147-I149 PolarHBondContact O-N 3.49Å; I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 3.02Å; I149-W152 HydrophobicContact CG1-CE3 3.95Å; I149-W152 HydrophobicContact CG1-CZ3 4.17Å; I149-W152 WeakPolarHBondContact O-CB 3.45Å; I149-W152 PolarHBondContact O-N 2.77Å; I149-W152 VanDerWaalsContact O-N 3.16Å; I149-F153 HydrophobicContact CG1-CE2 4.21Å; I149-F153 VanDerWaalsContact O-CD2 3.24Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 WeakPolarHBondContact O-CE2 3.49Å
150F82.5Confident67.4Low159 Ų159102.9 Ų102.970%0.69755%0.545SS*.G310 helixtrans-62-30.2175.3-68.9-68.9000114E148 W152 F153E148-F150 PolarHBondContact O-N 3.24Å; F150-W152 PolarHBondContact O-N 2.85Å; F150-W152 VanDerWaalsContact O-N 3.17Å; F150-F153 PolarHBondContact O-N 3.25Å; F150-F153 VanDerWaalsContact O-N 3.08Å
151N83.7Confident70.6Confident77 Ų77104.3 Ų104.341%0.41254%0.539SS..G310 helixtrans-67.6-12.7176.8-71.8-33.3000113.1I147 E148 I149 F153 K165I147-N151 HydrophobicContact CG2-CB 3.68Å; E148-N151 VanDerWaalsContact O-CB 3.26Å; E148-N151 WeakPolarHBondContact O-CB 3.25Å; E148-N151 PolarHBondContact O-N 2.98Å; I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 3.02Å; N151-F153 VanDerWaalsContact C-N 3.3Å; N151-K165 VanDerWaalsContact O-CD 3.22Å; N151-K165 WeakPolarHBondContact O-CD 3.48Å; N151-K165 WeakPolarHBondContact O-CE 3.18Å; N151-K165 PolarHBondContact O-NZ 2.86Å
152W85.1Confident73.5Confident14 Ų14101.9 Ų101.95%0.05353%0.525CS..G310 helixtrans-80.3-17.4173.9-62.4-12.5000113.5V104 I147 I149 F150 L164 K165 S168 F171 L172V104-W152 HydrophobicContact CB-CH2 4.35Å; V104-W152 HydrophobicContact CB-CZ3 4.3Å; V104-W152 HydrophobicContact CG1-CH2 4.01Å; V104-W152 HydrophobicContact CG1-CZ3 3.54Å; V104-W152 WeakPolarHBondContact O-CH2 3.26Å; I147-W152 VanDerWaalsContact CG2-CD1 3.46Å; I149-W152 HydrophobicContact CG1-CE3 3.95Å; I149-W152 HydrophobicContact CG1-CZ3 4.17Å; I149-W152 WeakPolarHBondContact O-CB 3.45Å; I149-W152 PolarHBondContact O-N 2.77Å; I149-W152 VanDerWaalsContact O-N 3.16Å; F150-W152 PolarHBondContact O-N 2.85Å; F150-W152 VanDerWaalsContact O-N 3.17Å; W152-L164 HydrophobicContact CB-CD2 4.44Å; W152-K165 PolarHBondContact O-N 3.43Å; W152-S168 WeakPolarHBondContact CA-OG 3.41Å; W152-F171 HydrophobicContact CH2-CD1 4.44Å; W152-F171 AromaticContact CH2-CE1 3.91Å; W152-F171 HydrophobicContact CH2-CE1 3.91Å; W152-F171 HydrophobicContact CZ2-CD1 4.47Å; W152-F171 HydrophobicContact CZ2-CE1 4.08Å; W152-L172 HydrophobicContact CE3-CD1 3.95Å; W152-L172 HydrophobicContact CE3-CD2 3.88Å; W152-L172 HydrophobicContact CE3-CG 4.2Å; W152-L172 HydrophobicContact CH2-CD2 4.35Å; W152-L172 HydrophobicContact CZ3-CD1 4.48Å; W152-L172 HydrophobicContact CZ3-CD2 3.55Å; W152-L172 HydrophobicContact CZ3-CG 4.31Å
153F89.2Confident76.4Confident70 Ų70102.1 Ų102.131%0.30751%0.506SS..EExtended strand (participates in β ladder)trans-101.9153.9-179.8-56.4-90.1000110.3I149 F150 N151 L162 Q163 L164I149-F153 HydrophobicContact CG1-CE2 4.21Å; I149-F153 VanDerWaalsContact O-CD2 3.24Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 WeakPolarHBondContact O-CE2 3.49Å; F150-F153 PolarHBondContact O-N 3.25Å; F150-F153 VanDerWaalsContact O-N 3.08Å; N151-F153 VanDerWaalsContact C-N 3.3Å; F153-L162 HydrophobicContact CB-CD1 3.7Å; F153-L162 HydrophobicContact CB-CD2 4.27Å; F153-L162 HydrophobicContact CB-CG 3.98Å; F153-L162 HydrophobicContact CD1-CD2 3.66Å; F153-L162 HydrophobicContact CD1-CG 3.87Å; F153-L162 HydrophobicContact CE1-CD2 4.26Å; F153-L162 HydrophobicContact CG-CD1 4.4Å; F153-L162 HydrophobicContact CG-CD2 4.07Å; F153-L162 HydrophobicContact CG-CG 4.23Å; F153-Q163 CarbonylContact C-O 3.57Å; F153-Q163 VanDerWaalsContact CA-O 3.27Å; F153-Q163 WeakPolarHBondContact CA-O 3.43Å; F153-L164 HydrophobicContact CD1-CD2 3.71Å; F153-L164 HydrophobicContact CD1-CG 4.46Å; F153-L164 HydrophobicContact CE1-CD2 3.53Å; F153-L164 HydrophobicContact CE1-CG 4.35Å; F153-L164 HydrophobicContact CG-CD2 4.37Å; F153-L164 HydrophobicContact CZ-CD2 4.03Å
154M88.8Confident79.1Confident101 Ų10199 Ų9950%0.49849%0.488SS..EExtended strand (participates in β ladder)trans-130.7132.2168.9-175.3172.963.900107.4Q163 K165M154-Q163 PolarHBondContact N-O 3.01Å; M154-Q163 PolarHBondContact O-N 2.9Å; M154-K165 HydrophobicContact CB-CG 4.37Å
155F90.4Very high81.5Confident113 Ų11393.9 Ų93.950%0.49646%0.463SS..EExtended strand (participates in β ladder)trans-87.7120.5171.6-179.9-106.3000108.7P157 N160F155-P157 HydrophobicContact CD1-CB 4.38Å; F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 VanDerWaalsContact O-CD 3.23Å; F155-P157 WeakPolarHBondContact O-CD 3.43Å; F155-N160 WeakPolarHBondContact CZ-OD1 3.23Å
156N88.7Confident83.5Confident31 Ų3199.2 Ų99.217%0.16649%0.486CS..EExtended strand (participates in β ladder)trans-87.4107.5169.1-175.9-4.9000109Q158 D159 N160 K161N156-Q158 VanDerWaalsContact C-N 3.26Å; N156-Q158 PolarHBondContact O-N 2.79Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.37Å; N156-Q158 PolarHBondContact OD1-N 2.77Å; N156-D159 HydrophobicContact CB-CB 4.44Å; N156-D159 PolarHBondContact ND2-OD2 2.87Å; N156-D159 PolarHBondContact O-N 2.78Å; N156-N160 WeakPolarHBondContact O-CA 3.4Å; N156-N160 PolarHBondContact O-N 2.87Å; N156-K161 PolarHBondContact N-O 3.01Å; N156-K161 PolarHBondContact O-N 2.92Å
157P89.3Confident85.1Confident99 Ų99101.1 Ų101.164%0.64350%0.497SS*.THydrogen-bonded Turntrans-67.9-24.217928-34.7000113.3F155F155-P157 HydrophobicContact CD1-CB 4.38Å; F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 VanDerWaalsContact O-CD 3.23Å; F155-P157 WeakPolarHBondContact O-CD 3.43Å
158Q91.5Very high86.6Confident177 Ų17799 Ų9983%0.82749%0.487SS*.THydrogen-bonded Turntrans-71.1-37.9179.8-62.4-178.7-16.200111.7N156N156-Q158 VanDerWaalsContact C-N 3.26Å; N156-Q158 PolarHBondContact O-N 2.79Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.37Å; N156-Q158 PolarHBondContact OD1-N 2.77Å
159D91.2Very high87.3Confident88 Ų8896.8 Ų96.847%0.47148%0.479SS..THydrogen-bonded Turntrans-98-8.1179.9-66.2-31.5000113.3N156 K161N156-D159 HydrophobicContact CB-CB 4.44Å; N156-D159 PolarHBondContact ND2-OD2 2.87Å; N156-D159 PolarHBondContact O-N 2.78Å; D159-K161 HydrophobicContact CB-CB 4.1Å; D159-K161 HydrophobicContact CB-CD 4.1Å; D159-K161 HydrophobicContact CB-CG 4.11Å; D159-K161 WeakPolarHBondContact O-CG 3.5Å; D159-K161 PolarHBondContact O-N 3.42Å
160N91.6Very high87.5Confident126 Ų12699.9 Ų99.967%0.67449%0.491SS*.THydrogen-bonded Turntrans51.141-168.3-16837.8000112.3F155 N156F155-N160 WeakPolarHBondContact CZ-OD1 3.23Å; N156-N160 WeakPolarHBondContact O-CA 3.4Å; N156-N160 PolarHBondContact O-N 2.87Å
161K92.9Very high87.6Confident129 Ų12996.3 Ų96.356%0.56148%0.476SS*.EExtended strand (participates in β ladder)trans-122.7139.9-175.3-76.2178.4-173.4175.10111.8N156 D159N156-K161 PolarHBondContact N-O 3.01Å; N156-K161 PolarHBondContact O-N 2.92Å; D159-K161 HydrophobicContact CB-CB 4.1Å; D159-K161 HydrophobicContact CB-CD 4.1Å; D159-K161 HydrophobicContact CB-CG 4.11Å; D159-K161 WeakPolarHBondContact O-CG 3.5Å; D159-K161 PolarHBondContact O-N 3.42Å
162L91.1Very high87.9Confident116 Ų11693 Ų9361%0.60746%0.458SS*.EExtended strand (participates in β ladder)trans-83.5127.9167-165.471.1000109.1F153F153-L162 HydrophobicContact CB-CD1 3.7Å; F153-L162 HydrophobicContact CB-CD2 4.27Å; F153-L162 HydrophobicContact CB-CG 3.98Å; F153-L162 HydrophobicContact CD1-CD2 3.66Å; F153-L162 HydrophobicContact CD1-CG 3.87Å; F153-L162 HydrophobicContact CE1-CD2 4.26Å; F153-L162 HydrophobicContact CG-CD1 4.4Å; F153-L162 HydrophobicContact CG-CD2 4.07Å; F153-L162 HydrophobicContact CG-CG 4.23Å
163Q90.4Very high88.1Confident81 Ų8194.2 Ų94.238%0.37947%0.469SS..EExtended strand (participates in β ladder)trans-127.2156179-65.8179.6-16.900110F153 M154F153-Q163 CarbonylContact C-O 3.57Å; F153-Q163 VanDerWaalsContact CA-O 3.27Å; F153-Q163 WeakPolarHBondContact CA-O 3.43Å; M154-Q163 PolarHBondContact N-O 3.01Å; M154-Q163 PolarHBondContact O-N 2.9Å
164L88.8Confident88.1Confident63 Ų6393.4 Ų93.433%0.3347%0.472SS..EExtended strand (participates in β ladder)trans-81.5141.8171.2-74171.6000110.1W152 F153 L169 L172W152-L164 HydrophobicContact CB-CD2 4.44Å; F153-L164 HydrophobicContact CD1-CD2 3.71Å; F153-L164 HydrophobicContact CD1-CG 4.46Å; F153-L164 HydrophobicContact CE1-CD2 3.53Å; F153-L164 HydrophobicContact CE1-CG 4.35Å; F153-L164 HydrophobicContact CG-CD2 4.37Å; F153-L164 HydrophobicContact CZ-CD2 4.03Å; L164-L169 HydrophobicContact CB-CB 4.44Å; L164-L169 HydrophobicContact CD1-CD1 3.87Å; L164-L172 HydrophobicContact CD1-CD1 3.9Å; L164-L172 HydrophobicContact CD2-CD1 3.52Å; L164-L172 HydrophobicContact CG-CD1 4.37Å
165K85.6Confident88.2Confident89 Ų8988.9 Ų88.939%0.38745%0.45SS..  trans-64.3144.1165.5-65.4-176.2-174.5165.50109.3N151 W152 M154 N167 S168 L169N151-K165 VanDerWaalsContact O-CD 3.22Å; N151-K165 WeakPolarHBondContact O-CD 3.48Å; N151-K165 WeakPolarHBondContact O-CE 3.18Å; N151-K165 PolarHBondContact O-NZ 2.86Å; W152-K165 PolarHBondContact O-N 3.43Å; M154-K165 HydrophobicContact CB-CG 4.37Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 3.46Å; K165-S168 WeakPolarHBondContact O-CA 3.37Å; K165-S168 WeakPolarHBondContact O-CB 3.49Å; K165-S168 PolarHBondContact O-N 2.97Å; K165-L169 PolarHBondContact O-N 3.44Å
166E82.8Confident88.3Confident170 Ų17089.2 Ų89.279%0.79445%0.451SS*.Hα-helixtrans-54.7-45.4-174-170.2172.2-171.600112.9S168 L169E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 2.83Å; E166-L169 WeakPolarHBondContact O-CB 3.36Å; E166-L169 PolarHBondContact O-N 3.5Å
167N79.2Confident88.7Confident148 Ų14892.4 Ų92.479%0.79147%0.468SS*.Hα-helixtrans-63.2-34.4176.9-66.3-15.6000113K165K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 3.46Å
168S84.1Confident88.9Confident13 Ų1389.6 Ų89.69%0.09145%0.446CS..Hα-helixtrans-74.2-31.9178-49.90000111.8W152 K165 E166 Q170 F171 L172W152-S168 WeakPolarHBondContact CA-OG 3.41Å; K165-S168 WeakPolarHBondContact O-CA 3.37Å; K165-S168 WeakPolarHBondContact O-CB 3.49Å; K165-S168 PolarHBondContact O-N 2.97Å; E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 2.83Å; S168-Q170 PolarHBondContact O-N 3.17Å; S168-F171 PolarHBondContact O-N 3.32Å; S168-L172 VanDerWaalsContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CB 3.02Å; S168-L172 VanDerWaalsContact O-CG 3.32Å; S168-L172 WeakPolarHBondContact O-CG 3.2Å; S168-L172 PolarHBondContact O-N 3.46Å
169L86.2Confident89.1Confident87 Ų8786.9 Ų86.946%0.45543%0.429SS..Hα-helixtrans-59.8-47.9-179.4179.964.3000111.1L164 K165 E166 S173L164-L169 HydrophobicContact CB-CB 4.44Å; L164-L169 HydrophobicContact CD1-CD1 3.87Å; K165-L169 PolarHBondContact O-N 3.44Å; E166-L169 WeakPolarHBondContact O-CB 3.36Å; E166-L169 PolarHBondContact O-N 3.5Å; L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 3.26Å; L169-S173 PolarHBondContact O-OG 2.92Å
170Q84.4Confident89.4Confident146 Ų14687.7 Ų87.768%0.68244%0.438SS*.Hα-helixtrans-65.6-44.5-178.4-177.160.413.100112S168 S173 S174S168-Q170 PolarHBondContact O-N 3.17Å; Q170-S173 PolarHBondContact O-N 3.26Å; Q170-S174 PolarHBondContact O-N 2.68Å
171F85.3Confident89.6Confident84 Ų8487.3 Ų87.337%0.36843%0.433SS..Hα-helixtrans-59.9-53.3176.8175.5-110.2000111.5R103 W152 S168 S173 S174 I175R103-F171 WeakPolarHBondContact O-CZ 3.1Å; W152-F171 HydrophobicContact CH2-CD1 4.44Å; W152-F171 AromaticContact CH2-CE1 3.91Å; W152-F171 HydrophobicContact CH2-CE1 3.91Å; W152-F171 HydrophobicContact CZ2-CD1 4.47Å; W152-F171 HydrophobicContact CZ2-CE1 4.08Å; S168-F171 PolarHBondContact O-N 3.32Å; F171-S173 PolarHBondContact O-N 3.08Å; F171-S174 PolarHBondContact O-N 2.97Å; F171-S174 PolarHBondContact O-OG 2.81Å; F171-I175 HydrophobicContact CD1-CD1 4.14Å; F171-I175 HydrophobicContact CE1-CD1 3.62Å; F171-I175 HydrophobicContact CE2-CD1 4.03Å; F171-I175 HydrophobicContact CZ-CD1 3.57Å; F171-I175 PolarHBondContact O-N 2.71Å
172L88.6Confident89.8Confident8 Ų884 Ų844%0.04242%0.418CS..Hα-helixtrans-62.8-42.1179.5-74.2175.1000112.1V104 W152 L164 S168 S174 I175 F176V104-L172 HydrophobicContact CG2-CD2 4.25Å; W152-L172 HydrophobicContact CE3-CD1 3.95Å; W152-L172 HydrophobicContact CE3-CD2 3.88Å; W152-L172 HydrophobicContact CE3-CG 4.2Å; W152-L172 HydrophobicContact CH2-CD2 4.35Å; W152-L172 HydrophobicContact CZ3-CD1 4.48Å; W152-L172 HydrophobicContact CZ3-CD2 3.55Å; W152-L172 HydrophobicContact CZ3-CG 4.31Å; L164-L172 HydrophobicContact CD1-CD1 3.9Å; L164-L172 HydrophobicContact CD2-CD1 3.52Å; L164-L172 HydrophobicContact CG-CD1 4.37Å; S168-L172 VanDerWaalsContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CB 3.02Å; S168-L172 VanDerWaalsContact O-CG 3.32Å; S168-L172 WeakPolarHBondContact O-CG 3.2Å; S168-L172 PolarHBondContact O-N 3.46Å; L172-S174 PolarHBondContact O-N 2.73Å; L172-I175 PolarHBondContact O-N 2.85Å; L172-F176 HydrophobicContact CB-CD2 4.06Å; L172-F176 HydrophobicContact CB-CE2 4.15Å; L172-F176 HydrophobicContact CD2-CE2 4.15Å; L172-F176 WeakPolarHBondContact O-CD2 3.19Å; L172-F176 PolarHBondContact O-N 2.89Å
173S91.1Very high90.1Very high39 Ų3979 Ų7927%0.27340%0.395SS..Hα-helixtrans-58.5-39-179.8-62.90000111.5L169 Q170 F171 I175 N177L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 3.26Å; L169-S173 PolarHBondContact O-OG 2.92Å; Q170-S173 PolarHBondContact O-N 3.26Å; F171-S173 PolarHBondContact O-N 3.08Å; S173-I175 PolarHBondContact O-N 3.11Å; S173-N177 VanDerWaalsContact O-CB 3.26Å; S173-N177 WeakPolarHBondContact O-CB 3.46Å; S173-N177 PolarHBondContact O-N 3.39Å; S173-N177 PolarHBondContact O-ND2 3.07Å
174S88.5Confident90.4Very high53 Ų5379.2 Ų79.237%0.37140%0.396SS..Hα-helixtrans-60.9-44.8175.274.60000112.1Q170 F171 L172 E178Q170-S174 PolarHBondContact O-N 2.68Å; F171-S174 PolarHBondContact O-N 2.97Å; F171-S174 PolarHBondContact O-OG 2.81Å; L172-S174 PolarHBondContact O-N 2.73Å; S174-E178 WeakPolarHBondContact O-CG 2.97Å; S174-E178 PolarHBondContact O-N 3.19Å
175I91.3Very high90.9Very high7 Ų777.7 Ų77.74%0.03639%0.386CS..Hα-helixtrans-67.6-46.1-179.9-60169.4000111F100 R103 V104 F171 L172 S173 E178 Y179F100-I175 HydrophobicContact CB-CG2 4.21Å; F100-I175 WeakPolarHBondContact O-CG2 3.31Å; R103-I175 HydrophobicContact CB-CD1 3.68Å; R103-I175 HydrophobicContact CB-CG1 4.31Å; V104-I175 HydrophobicContact CG2-CD1 3.93Å; V104-I175 HydrophobicContact CG2-CG2 4.07Å; F171-I175 HydrophobicContact CD1-CD1 4.14Å; F171-I175 HydrophobicContact CE1-CD1 3.62Å; F171-I175 HydrophobicContact CE2-CD1 4.03Å; F171-I175 HydrophobicContact CZ-CD1 3.57Å; F171-I175 PolarHBondContact O-N 2.71Å; L172-I175 PolarHBondContact O-N 2.85Å; S173-I175 PolarHBondContact O-N 3.11Å; I175-E178 PolarHBondContact O-N 3.25Å; I175-Y179 PolarHBondContact O-N 2.86Å
176F92.7Very high91.5Very high119 Ų11974.6 Ų74.652%0.52237%0.373SS..Hα-helixtrans-64.6-41.9179.7-83.1-71.5000111.7L172 E178 Y179 T180L172-F176 HydrophobicContact CB-CD2 4.06Å; L172-F176 HydrophobicContact CB-CE2 4.15Å; L172-F176 HydrophobicContact CD2-CE2 4.15Å; L172-F176 WeakPolarHBondContact O-CD2 3.19Å; L172-F176 PolarHBondContact O-N 2.89Å; F176-E178 VanDerWaalsContact C-N 3.32Å; F176-E178 PolarHBondContact O-N 2.93Å; F176-Y179 PolarHBondContact O-N 2.89Å; F176-T180 WeakPolarHBondContact O-CB 3.23Å; F176-T180 PolarHBondContact O-N 3.49Å; F176-T180 PolarHBondContact O-OG1 2.85Å
177N95.5Very high92.2Very high98 Ų9867 Ų6752%0.52434%0.338SS..Hα-helixtrans-58.2-45.5176.9-74.9-18.6000111.3S173 T180 M181S173-N177 VanDerWaalsContact O-CB 3.26Å; S173-N177 WeakPolarHBondContact O-CB 3.46Å; S173-N177 PolarHBondContact O-N 3.39Å; S173-N177 PolarHBondContact O-ND2 3.07Å; N177-T180 PolarHBondContact O-N 2.88Å; N177-M181 VanDerWaalsContact O-CG 3.29Å; N177-M181 WeakPolarHBondContact O-CG 3.48Å; N177-M181 PolarHBondContact O-N 2.8Å
178E94.6Very high93.1Very high40 Ų4062.4 Ų62.419%0.18732%0.315CS..Hα-helixtrans-64.8-45176.4-67.8-169-77.700112.2R83 F100 R103 S174 I175 F176 T180 M181 Y182R83-E178 IonicContact CZ-OE2 4Å; R83-E178 IonicContact NE-OE2 2.81Å; R83-E178 PolarHBondContact NE-OE2 2.83Å; R83-E178 IonicContact NH2-OE1 3.81Å; R83-E178 PolarHBondContact NH2-OE1 3.4Å; R83-E178 IonicContact NH2-OE2 2.73Å; R83-E178 PolarHBondContact NH2-OE2 2.87Å; F100-E178 HydrophobicContact CD1-CB 4.17Å; F100-E178 HydrophobicContact CE1-CB 3.98Å; R103-E178 IonicContact CZ-OE1 2.71Å; R103-E178 VanDerWaalsContact CZ-OE1 3.25Å; R103-E178 IonicContact NH1-OE1 2.67Å; R103-E178 PolarHBondContact NH1-OE1 2.63Å; R103-E178 IonicContact NH2-OE1 3.47Å; R103-E178 PolarHBondContact NH2-OE1 3.01Å; S174-E178 WeakPolarHBondContact O-CG 2.97Å; S174-E178 PolarHBondContact O-N 3.19Å; I175-E178 PolarHBondContact O-N 3.25Å; F176-E178 VanDerWaalsContact C-N 3.32Å; F176-E178 PolarHBondContact O-N 2.93Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 2.83Å; E178-M181 PolarHBondContact O-N 2.84Å; E178-M181 VanDerWaalsContact O-N 3.16Å; E178-Y182 HydrophobicContact CB-CD2 4.28Å; E178-Y182 HydrophobicContact CB-CE2 4.41Å; E178-Y182 WeakPolarHBondContact O-CD2 3.5Å; E178-Y182 PolarHBondContact O-N 2.93Å
179Y96Very high93.8Very high121 Ų12162.3 Ų62.348%0.47531%0.313SS..Hα-helixtrans-62-38.1176.3-179.5-100.6000112.1F100 I175 F176 M181 G183F100-Y179 HydrophobicContact CB-CD2 4.46Å; F100-Y179 AromaticContact CD2-CD2 3.75Å; F100-Y179 HydrophobicContact CD2-CD2 3.75Å; F100-Y179 HydrophobicContact CE2-CD2 4.39Å; F100-Y179 HydrophobicContact CG-CD2 4.33Å; I175-Y179 PolarHBondContact O-N 2.86Å; F176-Y179 PolarHBondContact O-N 2.89Å; Y179-M181 VanDerWaalsContact C-N 3.34Å; Y179-G183 VanDerWaalsContact O-CA 3.23Å; Y179-G183 WeakPolarHBondContact O-CA 3.29Å; Y179-G183 PolarHBondContact O-N 2.99Å
180T96.6Very high94.2Very high105 Ų10562.1 Ų62.164%0.64431%0.313SS*.Hα-helixtrans-64.6-38.6174.8-65.10000111.6F176 N177 E178F176-T180 WeakPolarHBondContact O-CB 3.23Å; F176-T180 PolarHBondContact O-N 3.49Å; F176-T180 PolarHBondContact O-OG1 2.85Å; N177-T180 PolarHBondContact O-N 2.88Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 2.83Å
181M96Very high94.8Very high118 Ų11855.5 Ų55.558%0.58128%0.281SS*.Hα-helixtrans-68.4-44.3176.9-72.4178.8-177.700112.4N177 E178 Y179N177-M181 VanDerWaalsContact O-CG 3.29Å; N177-M181 WeakPolarHBondContact O-CG 3.48Å; N177-M181 PolarHBondContact O-N 2.8Å; E178-M181 PolarHBondContact O-N 2.84Å; E178-M181 VanDerWaalsContact O-N 3.16Å; Y179-M181 VanDerWaalsContact C-N 3.34Å
182Y97.6Very high95.2Very high59 Ų5954.9 Ų54.923%0.23128%0.28CS..Hα-helixtrans-109.6-24.5-166.5-58.4-62.2000115.3L82 R83 F100 E178 Q184 Y185L82-Y182 HydrophobicContact CB-CD1 4.21Å; L82-Y182 HydrophobicContact CB-CG 4.1Å; R83-Y182 HydrophobicContact CG-CE2 3.89Å; F100-Y182 HydrophobicContact CE1-CD2 4.32Å; F100-Y182 HydrophobicContact CZ-CD2 4.11Å; F100-Y182 HydrophobicContact CZ-CG 4.44Å; E178-Y182 HydrophobicContact CB-CD2 4.28Å; E178-Y182 HydrophobicContact CB-CE2 4.41Å; E178-Y182 WeakPolarHBondContact O-CD2 3.5Å; E178-Y182 PolarHBondContact O-N 2.93Å; Y182-Q184 PolarHBondContact O-N 3.16Å; Y182-Y185 WeakPolarHBondContact O-CA 3.34Å; Y182-Y185 PolarHBondContact O-N 3.05Å
183G96.9Very high95.6Very high12 Ų1254.5 Ų54.512%0.12428%0.278CS..G310 helixtrans-59.6-26.8-169.400000113.8Y179 Y185 L186Y179-G183 VanDerWaalsContact O-CA 3.23Å; Y179-G183 WeakPolarHBondContact O-CA 3.29Å; Y179-G183 PolarHBondContact O-N 2.99Å; G183-Y185 PolarHBondContact O-N 3.39Å; G183-L186 PolarHBondContact O-N 3.19Å; G183-L186 VanDerWaalsContact O-N 3.15Å
184Q96.9Very high95.8Very high85 Ų8552.7 Ų52.740%0.39727%0.265SS..G310 helixtrans-69.3-14.7174.872.3177.6-30.100114.9Y182Y182-Q184 PolarHBondContact O-N 3.16Å
185Y98.4Very high96.1Very high31 Ų3150.4 Ų50.412%0.12225%0.249CC..G310 helixtrans-108.410.8175.6-45.7-68.1000111.8W32 I36 H39 I42 V88 Y182 G183W32-Y185 WeakPolarHBondContact CZ2-O 3.48Å; I36-Y185 HydrophobicContact CD1-CD1 3.7Å; I36-Y185 HydrophobicContact CD1-CG 4.48Å; H39-Y185 AromaticContact CD2-CE1 3.48Å; H39-Y185 VanDerWaalsContact CD2-CE1 3.48Å; H39-Y185 WeakPolarHBondContact CD2-CE1 3.32Å; H39-Y185 AromaticContact CD2-CZ 3.67Å; H39-Y185 PolarHBondContact CD2-OH 3.37Å; H39-Y185 AromaticContact NE2-CE1 3.81Å; H39-Y185 AromaticContact NE2-CZ 3.5Å; H39-Y185 PolarHBondContact NE2-OH 3.48Å; I42-Y185 HydrophobicContact CD1-CD1 3.51Å; I42-Y185 HydrophobicContact CD1-CD2 4.08Å; I42-Y185 HydrophobicContact CD1-CE1 3.6Å; I42-Y185 HydrophobicContact CD1-CE2 4.18Å; I42-Y185 HydrophobicContact CD1-CG 3.74Å; V88-Y185 PolarHBondContact N-O 2.94Å; Y182-Y185 WeakPolarHBondContact O-CA 3.34Å; Y182-Y185 PolarHBondContact O-N 3.05Å; G183-Y185 PolarHBondContact O-N 3.39Å
186L98.6Very high96.2Very high23 Ų2351 Ų5112%0.1225%0.252CS..EExtended strand (participates in β ladder)trans-108112.9172.9176.462.5000108.8L82 V88 Y90 P99 F100 G183 T188L82-L186 HydrophobicContact CD1-CB 4.21Å; L82-L186 HydrophobicContact CD1-CD1 4.46Å; L82-L186 HydrophobicContact CD2-CB 4.45Å; V88-L186 HydrophobicContact CB-CD1 4.02Å; V88-L186 HydrophobicContact CG1-CD1 3.88Å; V88-L186 CarbonylContact O-C 3.52Å; V88-L186 WeakPolarHBondContact O-CA 3.21Å; Y90-L186 HydrophobicContact CG-CD1 4.49Å; P99-L186 HydrophobicContact CB-CD2 4.01Å; P99-L186 HydrophobicContact CG-CD1 4.27Å; P99-L186 HydrophobicContact CG-CD2 4.05Å; F100-L186 HydrophobicContact CD2-CD2 4.43Å; F100-L186 HydrophobicContact CE2-CD2 4.28Å; G183-L186 PolarHBondContact O-N 3.19Å; G183-L186 VanDerWaalsContact O-N 3.15Å; L186-T188 HydrophobicContact CG-CG2 4.24Å
187F98.6Very high96.4Very high12 Ų1246 Ų465%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-102.7123.6170.9-176.9-89.6000109.5R28 L29 W32 V88 L89 Y90 L189R28-F187 HydrophobicContact CB-CE2 3.98Å; R28-F187 HydrophobicContact CB-CZ 4.4Å; L29-F187 HydrophobicContact CB-CE1 4.45Å; L29-F187 HydrophobicContact CB-CE2 4.25Å; L29-F187 HydrophobicContact CB-CZ 3.88Å; L29-F187 HydrophobicContact CD1-CD1 4.18Å; L29-F187 HydrophobicContact CD1-CE1 4.02Å; L29-F187 HydrophobicContact CD1-CE2 4.47Å; L29-F187 HydrophobicContact CD1-CG 4.46Å; L29-F187 HydrophobicContact CD1-CZ 4.17Å; W32-F187 HydrophobicContact CB-CD2 3.78Å; W32-F187 HydrophobicContact CB-CE2 4.42Å; W32-F187 HydrophobicContact CD2-CB 3.55Å; W32-F187 HydrophobicContact CD2-CD2 4.27Å; W32-F187 HydrophobicContact CD2-CG 4.19Å; W32-F187 HydrophobicContact CE3-CB 3.96Å; W32-F187 HydrophobicContact CE3-CG 4.39Å; W32-F187 HydrophobicContact CG-CB 3.85Å; W32-F187 AromaticContact CG-CD2 3.89Å; W32-F187 HydrophobicContact CG-CD2 3.89Å; W32-F187 HydrophobicContact CG-CG 4.26Å; W32-F187 HydrophobicContact CH2-CB 4.3Å; W32-F187 HydrophobicContact CZ2-CB 3.91Å; W32-F187 HydrophobicContact CZ3-CB 4.33Å; V88-F187 PolarHBondContact O-N 2.86Å; L89-F187 CarbonylContact C-O 3.56Å; L89-F187 WeakPolarHBondContact CA-O 3.34Å; L89-F187 HydrophobicContact CD2-CD1 4.47Å; L89-F187 HydrophobicContact CG-CD1 3.97Å; Y90-F187 PolarHBondContact N-O 2.77Å; F187-L189 HydrophobicContact CE1-CB 4.2Å
188T98.2Very high96.4Very high51 Ų5141.5 Ų41.531%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-103.2138.1177.557.90000111.5Y90 L98 L186Y90-T188 HydrophobicContact CD1-CG2 4.38Å; Y90-T188 WeakPolarHBondContact O-CA 3.44Å; L98-T188 HydrophobicContact CD2-CG2 4.46Å; L186-T188 HydrophobicContact CG-CG2 4.24Å
189L97Very high96.4Very high11 Ų1140.1 Ų40.16%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-135.3130.7172.6178.661.6000107.9M25 Y90 F91 H92 F187 W203 I204M25-L189 HydrophobicContact CE-CD1 3.1Å; M25-L189 HydrophobicContact SD-CD1 3.79Å; Y90-L189 PolarHBondContact O-N 3.23Å; F91-L189 CarbonylContact C-O 3.43Å; F91-L189 VanDerWaalsContact CA-O 3.28Å; F91-L189 WeakPolarHBondContact CA-O 3.35Å; F91-L189 HydrophobicContact CD2-CB 3.95Å; F91-L189 HydrophobicContact CD2-CD2 3.76Å; F91-L189 HydrophobicContact CD2-CG 3.65Å; F91-L189 WeakPolarHBondContact CD2-O 3.45Å; F91-L189 HydrophobicContact CE2-CD2 3.94Å; F91-L189 HydrophobicContact CE2-CG 3.9Å; H92-L189 PolarHBondContact CD2-O 3.46Å; H92-L189 PolarHBondContact N-O 3.2Å; F187-L189 HydrophobicContact CE1-CB 4.2Å; L189-W203 HydrophobicContact CD2-CE3 4.28Å; L189-W203 HydrophobicContact CD2-CZ3 3.93Å; L189-I204 HydrophobicContact CD2-CD1 3.66Å; L189-I204 HydrophobicContact CD2-CG1 3.86Å
190D96.1Very high96.4Very high83 Ų8334.9 Ų34.944%0.44418%0.182SC..EExtended strand (participates in β ladder)trans-99.7150.2-179.861.3-26.5000113.2H92 K94H92-D190 CarbonylContact O-C 3.56Å; H92-D190 WeakPolarHBondContact O-CA 3.45Å; K94-D190 HydrophobicContact CB-CB 4.36Å
191F96.3Very high96.4Very high6 Ų630 Ų303%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-131.6169.2165.765.5-96.8000109.4S50 T53 F91 H92 R93 K94 D196 Y197 A230S50-F191 WeakPolarHBondContact O-CZ 3.42Å; T53-F191 HydrophobicContact CG2-CE2 3.88Å; F91-F191 HydrophobicContact CD1-CD1 4.14Å; F91-F191 HydrophobicContact CD1-CE1 4.41Å; F91-F191 AromaticContact CD2-CD1 3.74Å; F91-F191 HydrophobicContact CD2-CD1 3.74Å; F91-F191 AromaticContact CE1-CD1 3.93Å; F91-F191 HydrophobicContact CE1-CD1 3.93Å; F91-F191 HydrophobicContact CE1-CE1 4.47Å; F91-F191 HydrophobicContact CE2-CB 3.7Å; F91-F191 AromaticContact CE2-CD1 3.53Å; F91-F191 HydrophobicContact CE2-CD1 3.53Å; F91-F191 HydrophobicContact CE2-CG 4.07Å; F91-F191 HydrophobicContact CG-CD1 4.04Å; F91-F191 HydrophobicContact CG-CE1 4.43Å; F91-F191 HydrophobicContact CZ-CB 3.78Å; F91-F191 AromaticContact CZ-CD1 3.62Å; F91-F191 HydrophobicContact CZ-CD1 3.62Å; F91-F191 HydrophobicContact CZ-CG 4.03Å; F91-F191 WeakPolarHBondContact O-CE1 3.34Å; H92-F191 VanDerWaalsContact C-CD1 3.41Å; H92-F191 WeakPolarHBondContact O-CD1 3.44Å; H92-F191 PolarHBondContact O-N 3.34Å; R93-F191 CarbonylContact C-O 3.58Å; R93-F191 VanDerWaalsContact CA-O 3.25Å; R93-F191 WeakPolarHBondContact CA-O 3.33Å; R93-F191 HydrophobicContact CB-CD2 4.44Å; R93-F191 HydrophobicContact CB-CE2 3.89Å; R93-F191 HydrophobicContact CB-CZ 4.11Å; R93-F191 HydrophobicContact CG-CE2 4.44Å; K94-F191 PolarHBondContact N-O 3.2Å; F191-D196 HydrophobicContact CB-CB 3.78Å; F191-Y197 HydrophobicContact CD1-CD2 4.26Å; F191-Y197 AromaticContact CE1-CD2 3.91Å; F191-Y197 HydrophobicContact CE1-CD2 3.91Å; F191-Y197 HydrophobicContact CE2-CD2 4.24Å; F191-Y197 AromaticContact CZ-CD2 3.91Å; F191-Y197 HydrophobicContact CZ-CD2 3.91Å; F191-A230 HydrophobicContact CZ-CB 4.23Å
192E94.6Very high96.4Very high71 Ų7125 Ų2533%0.33213%0.127SC..  trans-132.1-54.1172.7-162.4174.6176.600110.2I54 D196I54-E192 HydrophobicContact CD1-CG 3.71Å; I54-E192 HydrophobicContact CG1-CG 4.36Å; I54-E192 WeakPolarHBondContact CG1-O 3.39Å; I54-E192 PolarHBondContact N-O 3.47Å; I54-E192 VanDerWaalsContact N-O 3.13Å; E192-D196 PolarHBondContact N-OD2 2.84Å
193T95.6Very high96.3Very high0 Ų023.6 Ų23.60%012%0.121CC..BIsolated β-bridgetrans-89.7164.4-176.167.60000113.2I54 P56 M61 E195 D196 Y197I54-T193 HydrophobicContact CD1-CG2 4.34Å; I54-T193 HydrophobicContact CG1-CG2 3.99Å; I54-T193 CarbonylContact O-C 3.58Å; I54-T193 VanDerWaalsContact O-CA 3.29Å; I54-T193 WeakPolarHBondContact O-CA 3.39Å; P56-T193 HydrophobicContact CG-CG2 3.54Å; M61-T193 HydrophobicContact SD-CG2 4.49Å; T193-E195 WeakPolarHBondContact CB-OE2 3.43Å; T193-E195 PolarHBondContact O-N 3.25Å; T193-E195 PolarHBondContact OG1-N 3.4Å; T193-E195 PolarHBondContact OG1-OE2 3.4Å; T193-D196 WeakPolarHBondContact CB-OD2 3.49Å; T193-D196 PolarHBondContact N-OD2 2.98Å; T193-D196 PolarHBondContact O-N 3.45Å; T193-D196 PolarHBondContact OG1-N 3.14Å; T193-D196 VanDerWaalsContact OG1-N 3.15Å; T193-D196 PolarHBondContact OG1-OD1 2.83Å; T193-D196 PolarHBondContact OG1-OD2 3.22Å; T193-Y197 PolarHBondContact O-N 3.03Å
194I95.7Very high96.3Very high2 Ų223 Ų231%0.0112%0.115CC..Hα-helixtrans-59.1-35.1170.4-17657.9000111.8T53 I54 V55 Y197 L198 V232 V284T53-I194 HydrophobicContact CG2-CD1 4.1Å; I54-I194 PolarHBondContact O-N 2.87Å; V55-I194 HydrophobicContact CG2-CG2 4.11Å; I194-Y197 HydrophobicContact CD1-CD1 4.24Å; I194-Y197 PolarHBondContact O-N 3.23Å; I194-L198 HydrophobicContact CD1-CD1 4.26Å; I194-L198 HydrophobicContact CD1-CG 4.17Å; I194-L198 HydrophobicContact CG1-CD1 4.03Å; I194-L198 HydrophobicContact CG1-CG 4.4Å; I194-L198 WeakPolarHBondContact O-CG 3.37Å; I194-L198 PolarHBondContact O-N 3.26Å; I194-V232 HydrophobicContact CD1-CG1 3.31Å; I194-V284 HydrophobicContact CD1-CG1 4.12Å; I194-V284 HydrophobicContact CD1-CG2 4.5Å; I194-V284 HydrophobicContact CG1-CG1 4.16Å; I194-V284 HydrophobicContact CG1-CG2 3.98Å
195E94.3Very high96.3Very high5 Ų519 Ų192%0.02310%0.097CC..Hα-helixtrans-65.2-47.8175.9-66.477.5-169.600111.9L11 T193 Y197 L198 I199 R242L11-E195 HydrophobicContact CD1-CG 4.25Å; L11-E195 HydrophobicContact CD2-CG 3.93Å; T193-E195 WeakPolarHBondContact CB-OE2 3.43Å; T193-E195 PolarHBondContact O-N 3.25Å; T193-E195 PolarHBondContact OG1-N 3.4Å; T193-E195 PolarHBondContact OG1-OE2 3.4Å; E195-Y197 VanDerWaalsContact C-N 3.25Å; E195-Y197 PolarHBondContact O-N 3.06Å; E195-L198 PolarHBondContact O-N 3.37Å; E195-I199 WeakPolarHBondContact O-CG1 2.95Å; E195-I199 PolarHBondContact O-N 3.21Å; E195-R242 IonicContact OE1-CZ 3.71Å; E195-R242 IonicContact OE1-NH1 3.98Å; E195-R242 IonicContact OE1-NH2 2.72Å; E195-R242 PolarHBondContact OE1-NH2 2.8Å; E195-R242 IonicContact OE2-NH2 3.25Å
196D94.3Very high96.2Very high20 Ų2022.1 Ų22.111%0.10711%0.111CC..Hα-helixtrans-57.4-43.3177.4-57.5-40.9000110.5F191 E192 T193 G200F191-D196 HydrophobicContact CB-CB 3.78Å; E192-D196 PolarHBondContact N-OD2 2.84Å; T193-D196 WeakPolarHBondContact CB-OD2 3.49Å; T193-D196 PolarHBondContact N-OD2 2.98Å; T193-D196 PolarHBondContact O-N 3.45Å; T193-D196 PolarHBondContact OG1-N 3.14Å; T193-D196 VanDerWaalsContact OG1-N 3.15Å; T193-D196 PolarHBondContact OG1-OD1 2.83Å; T193-D196 PolarHBondContact OG1-OD2 3.22Å; D196-G200 WeakPolarHBondContact O-CA 3.38Å; D196-G200 PolarHBondContact O-N 2.98Å
197Y96.6Very high96.1Very high13 Ų1322.9 Ų22.95%0.05111%0.114CC..Hα-helixtrans-59.6-48.6176.8174.1-95.1000112.1T49 T53 F91 F191 T193 I194 E195 L201 A230 V232T49-Y197 HydrophobicContact CG2-CE2 3.75Å; T53-Y197 HydrophobicContact CG2-CD1 4.46Å; T53-Y197 HydrophobicContact CG2-CD2 4.35Å; T53-Y197 HydrophobicContact CG2-CG 3.97Å; F91-Y197 HydrophobicContact CD1-CD2 4.48Å; F91-Y197 AromaticContact CE1-CD2 3.95Å; F91-Y197 HydrophobicContact CE1-CD2 3.95Å; F91-Y197 HydrophobicContact CE1-CE2 4.42Å; F91-Y197 WeakPolarHBondContact CE1-O 3.26Å; F191-Y197 HydrophobicContact CD1-CD2 4.26Å; F191-Y197 AromaticContact CE1-CD2 3.91Å; F191-Y197 HydrophobicContact CE1-CD2 3.91Å; F191-Y197 HydrophobicContact CE2-CD2 4.24Å; F191-Y197 AromaticContact CZ-CD2 3.91Å; F191-Y197 HydrophobicContact CZ-CD2 3.91Å; T193-Y197 PolarHBondContact O-N 3.03Å; I194-Y197 HydrophobicContact CD1-CD1 4.24Å; I194-Y197 PolarHBondContact O-N 3.23Å; E195-Y197 VanDerWaalsContact C-N 3.25Å; E195-Y197 PolarHBondContact O-N 3.06Å; Y197-L201 HydrophobicContact CE1-CD2 4.24Å; Y197-L201 WeakPolarHBondContact O-CB 3.33Å; Y197-L201 PolarHBondContact O-N 3.15Å; Y197-A230 HydrophobicContact CD2-CB 4.45Å; Y197-A230 HydrophobicContact CE2-CB 3.83Å; Y197-V232 HydrophobicContact CD1-CG1 4.22Å; Y197-V232 HydrophobicContact CD1-CG2 4.13Å; Y197-V232 HydrophobicContact CE1-CG1 4.07Å; Y197-V232 HydrophobicContact CE1-CG2 3.52Å; Y197-V232 HydrophobicContact CE2-CG2 4.19Å
198L95.7Very high96Very high3 Ų322.4 Ų22.42%0.01611%0.112CC..Hα-helixtrans-69.6-45.7-175.2-66.9170.9000112.4W7 L8 I194 E195 R202 V284 V287W7-L198 HydrophobicContact CH2-CD1 3.55Å; W7-L198 HydrophobicContact CZ3-CD1 3.79Å; L8-L198 HydrophobicContact CD2-CB 3.95Å; I194-L198 HydrophobicContact CD1-CD1 4.26Å; I194-L198 HydrophobicContact CD1-CG 4.17Å; I194-L198 HydrophobicContact CG1-CD1 4.03Å; I194-L198 HydrophobicContact CG1-CG 4.4Å; I194-L198 WeakPolarHBondContact O-CG 3.37Å; I194-L198 PolarHBondContact O-N 3.26Å; E195-L198 PolarHBondContact O-N 3.37Å; L198-R202 PolarHBondContact O-N 3Å; L198-V284 HydrophobicContact CD1-CG1 4.09Å; L198-V287 HydrophobicContact CD2-CB 4.4Å; L198-V287 HydrophobicContact CD2-CG1 3.77Å; L198-V287 HydrophobicContact CD2-CG2 3.71Å
199I94.3Very high95.9Very high11 Ų1121.1 Ų21.16%0.05610%0.102CC..Hα-helixtrans-66.9-45.4177.2-61.4157.9000109.7L11 E12 N15 E195 L201 R202 W203L11-I199 HydrophobicContact CB-CD1 3.84Å; L11-I199 HydrophobicContact CB-CG1 4.13Å; E12-I199 HydrophobicContact CB-CD1 4.47Å; E12-I199 HydrophobicContact CB-CG1 4.49Å; E12-I199 HydrophobicContact CB-CG2 4.19Å; E12-I199 HydrophobicContact CG-CG2 4Å; N15-I199 HydrophobicContact CB-CD1 4.34Å; E195-I199 WeakPolarHBondContact O-CG1 2.95Å; E195-I199 PolarHBondContact O-N 3.21Å; I199-L201 PolarHBondContact O-N 2.8Å; I199-R202 PolarHBondContact O-N 3.39Å; I199-W203 WeakPolarHBondContact O-CB 3.43Å; I199-W203 PolarHBondContact O-N 3.35Å
200G95.2Very high95.8Very high12 Ų1222.4 Ų22.412%0.12411%0.114CC..Hα-helixtrans-61-45.7179.700000112D196 R202 W203 I204D196-G200 WeakPolarHBondContact O-CA 3.38Å; D196-G200 PolarHBondContact O-N 2.98Å; G200-R202 PolarHBondContact O-N 3.1Å; G200-W203 PolarHBondContact O-N 3.41Å; G200-I204 WeakPolarHBondContact O-CB 3.44Å; G200-I204 WeakPolarHBondContact O-CD1 3.38Å; G200-I204 WeakPolarHBondContact O-CG1 3.32Å; G200-I204 PolarHBondContact O-N 3.44Å
201L97.3Very high95.6Very high2 Ų220 Ų201%0.0110%0.101CC..Hα-helixtrans-61.3-43.5176.9-178.162.2000111.8T49 F91 Y197 I199 A205 Y226 L228 V287T49-L201 HydrophobicContact CG2-CD1 4.23Å; F91-L201 HydrophobicContact CE1-CB 4.26Å; Y197-L201 HydrophobicContact CE1-CD2 4.24Å; Y197-L201 WeakPolarHBondContact O-CB 3.33Å; Y197-L201 PolarHBondContact O-N 3.15Å; I199-L201 PolarHBondContact O-N 2.8Å; L201-A205 VanDerWaalsContact O-CB 3.24Å; L201-A205 WeakPolarHBondContact O-CB 3.33Å; L201-A205 PolarHBondContact O-N 3.4Å; L201-Y226 HydrophobicContact CD1-CD1 4.3Å; L201-Y226 HydrophobicContact CD1-CE1 4.34Å; L201-L228 HydrophobicContact CD1-CD2 4.33Å; L201-V287 HydrophobicContact CD2-CG2 4.15Å
202R95.8Very high95.3Very high12 Ų1222.5 Ų22.55%0.04511%0.113CC..Hα-helixtrans-61.6-45175.4179.3-179.8-174.3-14114.5111.6D5 D9 E12 L198 I199 G200 A205 K206 W295D5-R202 IonicContact OD1-CZ 2.68Å; D5-R202 IonicContact OD1-NE 3.36Å; D5-R202 PolarHBondContact OD1-NE 3.31Å; D5-R202 IonicContact OD1-NH2 3.54Å; D5-R202 PolarHBondContact OD1-NH2 3.29Å; D9-R202 IonicContact OD1-CZ 2.79Å; D9-R202 VanDerWaalsContact OD1-CZ 3.24Å; D9-R202 IonicContact OD1-NH1 2.88Å; D9-R202 PolarHBondContact OD1-NH1 3.02Å; D9-R202 IonicContact OD1-NH2 2.82Å; D9-R202 PolarHBondContact OD1-NH2 3.05Å; E12-R202 IonicContact OE2-NH1 3.35Å; L198-R202 PolarHBondContact O-N 3Å; I199-R202 PolarHBondContact O-N 3.39Å; G200-R202 PolarHBondContact O-N 3.1Å; R202-A205 PolarHBondContact O-N 3.06Å; R202-K206 HydrophobicContact CG-CD 4.44Å; R202-K206 WeakPolarHBondContact O-CG 3.3Å; R202-K206 PolarHBondContact O-N 3.1Å; R202-W295 HydrophobicContact CB-CD2 4.26Å; R202-W295 HydrophobicContact CB-CE3 4.08Å; R202-W295 HydrophobicContact CB-CH2 3.81Å; R202-W295 HydrophobicContact CB-CZ2 4.02Å; R202-W295 HydrophobicContact CB-CZ3 3.86Å; R202-W295 HydrophobicContact CG-CD2 4.02Å; R202-W295 HydrophobicContact CG-CE3 4.36Å; R202-W295 HydrophobicContact CG-CH2 4.17Å; R202-W295 HydrophobicContact CG-CZ2 3.84Å; R202-W295 HydrophobicContact CG-CZ3 4.43Å
203W95Very high95.1Very high31 Ų3123.6 Ų23.612%0.11712%0.124CC..Hα-helixtrans-62.4-52.7179.3176.375.6000110.9M25 E26 L29 L189 I199 G200 A205 K206 Q207M25-W203 HydrophobicContact CB-CH2 4.43Å; E26-W203 HydrophobicContact CB-CZ2 4.22Å; L29-W203 HydrophobicContact CB-CH2 4.25Å; L29-W203 HydrophobicContact CD2-CH2 3.49Å; L29-W203 VanDerWaalsContact CD2-CH2 3.49Å; L29-W203 HydrophobicContact CD2-CZ2 4.06Å; L29-W203 HydrophobicContact CD2-CZ3 3.89Å; L29-W203 HydrophobicContact CG-CH2 4.5Å; L189-W203 HydrophobicContact CD2-CE3 4.28Å; L189-W203 HydrophobicContact CD2-CZ3 3.93Å; I199-W203 WeakPolarHBondContact O-CB 3.43Å; I199-W203 PolarHBondContact O-N 3.35Å; G200-W203 PolarHBondContact O-N 3.41Å; W203-A205 VanDerWaalsContact C-N 3.27Å; W203-A205 PolarHBondContact O-N 2.79Å; W203-K206 PolarHBondContact O-N 2.89Å; W203-Q207 HydrophobicContact CD2-CG 4.17Å; W203-Q207 HydrophobicContact CG-CG 4.47Å; W203-Q207 HydrophobicContact CZ2-CG 4.09Å; W203-Q207 VanDerWaalsContact O-CG 3.3Å; W203-Q207 WeakPolarHBondContact O-CG 3.45Å; W203-Q207 PolarHBondContact O-N 2.82Å
204I97.5Very high94.7Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-54.4-46.2176.3-65161.3000110.6C47 L89 F91 L189 G200 K206 Q207 L208C47-I204 HydrophobicContact CB-CG2 4.44Å; L89-I204 HydrophobicContact CD1-CG2 3.66Å; L89-I204 HydrophobicContact CD2-CD1 3.99Å; L89-I204 HydrophobicContact CD2-CG1 4.38Å; L89-I204 HydrophobicContact CD2-CG2 4.14Å; F91-I204 HydrophobicContact CB-CD1 3.82Å; F91-I204 HydrophobicContact CD1-CD1 3.63Å; F91-I204 HydrophobicContact CD2-CD1 3.92Å; F91-I204 HydrophobicContact CE1-CD1 4.14Å; F91-I204 HydrophobicContact CE2-CD1 4.38Å; F91-I204 HydrophobicContact CG-CD1 3.52Å; F91-I204 HydrophobicContact CZ-CD1 4.49Å; L189-I204 HydrophobicContact CD2-CD1 3.66Å; L189-I204 HydrophobicContact CD2-CG1 3.86Å; G200-I204 WeakPolarHBondContact O-CB 3.44Å; G200-I204 WeakPolarHBondContact O-CD1 3.38Å; G200-I204 WeakPolarHBondContact O-CG1 3.32Å; G200-I204 PolarHBondContact O-N 3.44Å; I204-K206 PolarHBondContact O-N 3.42Å; I204-Q207 PolarHBondContact O-N 3.1Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.2Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 3.21Å
205A97.9Very high94.3Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-59.1-47.5-178.800000112.9L201 R202 W203 Q207 L208 E209 Y226 L291 W295L201-A205 VanDerWaalsContact O-CB 3.24Å; L201-A205 WeakPolarHBondContact O-CB 3.33Å; L201-A205 PolarHBondContact O-N 3.4Å; R202-A205 PolarHBondContact O-N 3.06Å; W203-A205 VanDerWaalsContact C-N 3.27Å; W203-A205 PolarHBondContact O-N 2.79Å; A205-Q207 PolarHBondContact O-N 3.07Å; A205-L208 PolarHBondContact O-N 3.21Å; A205-E209 VanDerWaalsContact O-CB 3.29Å; A205-E209 WeakPolarHBondContact O-CB 3.49Å; A205-E209 PolarHBondContact O-N 3.36Å; A205-Y226 VanDerWaalsContact CA-OH 3.24Å; A205-Y226 WeakPolarHBondContact CA-OH 3.38Å; A205-L291 HydrophobicContact CB-CD1 3.61Å; A205-W295 HydrophobicContact CB-CB 3.66Å
206K95.5Very high93.9Very high96 Ų9636.9 Ų36.942%0.41719%0.192SC..Hα-helixtrans-63.9-39176.2-71.4-179.5173.5-177.90112.8R202 W203 I204 A210R202-K206 HydrophobicContact CG-CD 4.44Å; R202-K206 WeakPolarHBondContact O-CG 3.3Å; R202-K206 PolarHBondContact O-N 3.1Å; W203-K206 PolarHBondContact O-N 2.89Å; I204-K206 PolarHBondContact O-N 3.42Å; K206-A210 WeakPolarHBondContact O-CB 3.28Å; K206-A210 PolarHBondContact O-N 2.91Å
207Q95.7Very high93.4Very high40 Ų4042.1 Ų42.119%0.18723%0.231CC..Hα-helixtrans-65.5-45178.5-66.4-59.5-32.600111.7L29 W203 I204 A205L29-Q207 HydrophobicContact CD2-CB 3.89Å; L29-Q207 HydrophobicContact CD2-CG 4.04Å; W203-Q207 HydrophobicContact CD2-CG 4.17Å; W203-Q207 HydrophobicContact CG-CG 4.47Å; W203-Q207 HydrophobicContact CZ2-CG 4.09Å; W203-Q207 VanDerWaalsContact O-CG 3.3Å; W203-Q207 WeakPolarHBondContact O-CG 3.45Å; W203-Q207 PolarHBondContact O-N 2.82Å; I204-Q207 PolarHBondContact O-N 3.1Å; A205-Q207 PolarHBondContact O-N 3.07Å
208L97.1Very high92.8Very high1 Ų148 Ų481%0.00527%0.268CS..Hα-helixtrans-68-43.8178.3-67.1-176.1000111.8L33 I45 C47 L89 I204 A205 A210 I211 H212 L224L33-L208 HydrophobicContact CD2-CD2 3.84Å; I45-L208 HydrophobicContact CG2-CD1 4.37Å; I45-L208 HydrophobicContact CG2-CD2 4.27Å; C47-L208 HydrophobicContact CB-CD1 4.17Å; L89-L208 HydrophobicContact CD1-CD1 4.26Å; L89-L208 HydrophobicContact CD1-CD2 4.32Å; L89-L208 HydrophobicContact CD1-CG 4.49Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.2Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 3.21Å; A205-L208 PolarHBondContact O-N 3.21Å; L208-A210 VanDerWaalsContact C-N 3.29Å; L208-A210 PolarHBondContact O-N 3.17Å; L208-I211 HydrophobicContact CD2-CD1 4.4Å; L208-I211 WeakPolarHBondContact O-CB 3.48Å; L208-I211 PolarHBondContact O-N 2.96Å; L208-I211 VanDerWaalsContact O-N 3.17Å; L208-H212 PolarHBondContact O-N 3.08Å; L208-L224 HydrophobicContact CB-CD1 4Å; L208-L224 HydrophobicContact CB-CD2 4.08Å; L208-L224 WeakPolarHBondContact O-CD1 3.24Å
209E96.2Very high92.4Very high25 Ų2551.9 Ų51.912%0.11729%0.286CS..Hα-helixtrans-60.8-38.1177.5-170.866.5-168.600112.1A205 I211 H212 V213 W295 S296 S298A205-E209 VanDerWaalsContact O-CB 3.29Å; A205-E209 WeakPolarHBondContact O-CB 3.49Å; A205-E209 PolarHBondContact O-N 3.36Å; E209-I211 PolarHBondContact O-N 3.32Å; E209-H212 WeakPolarHBondContact O-CA 3.41Å; E209-H212 WeakPolarHBondContact O-CB 3.47Å; E209-H212 PolarHBondContact O-N 3.16Å; E209-V213 HydrophobicContact CG-CG2 4.12Å; E209-V213 WeakPolarHBondContact O-CG2 3.47Å; E209-V213 PolarHBondContact O-N 3.35Å; E209-W295 VanDerWaalsContact CB-O 3.32Å; E209-W295 WeakPolarHBondContact CB-O 3.28Å; E209-S296 WeakPolarHBondContact OE2-CA 3.22Å; E209-S296 WeakPolarHBondContact OE2-CB 3.49Å; E209-S296 PolarHBondContact OE2-OG 2.76Å; E209-S298 PolarHBondContact OE2-OG 2.9Å; E209-S298 VanDerWaalsContact OE2-OG 3.08Å
210A94.8Very high92.1Very high38 Ų3854.3 Ų54.331%0.31430%0.296SS..Hα-helixtrans-59.2-33.5177.800000112.7K206 L208 N214K206-A210 WeakPolarHBondContact O-CB 3.28Å; K206-A210 PolarHBondContact O-N 2.91Å; L208-A210 VanDerWaalsContact C-N 3.29Å; L208-A210 PolarHBondContact O-N 3.17Å; A210-N214 WeakPolarHBondContact O-CB 3.39Å; A210-N214 VanDerWaalsContact O-CG 3.24Å; A210-N214 PolarHBondContact O-N 2.85Å; A210-N214 PolarHBondContact O-ND2 2.86Å; A210-N214 VanDerWaalsContact O-ND2 3.16Å
211I92Very high92Very high33 Ų3356.8 Ų56.817%0.16931%0.305CS..Hα-helixtrans-70.4-38.1176.2-57.8166.1000110.8L33 L37 L208 E209L33-I211 HydrophobicContact CB-CD1 4.06Å; L33-I211 HydrophobicContact CD1-CD1 3.32Å; L33-I211 HydrophobicContact CD1-CG1 4.33Å; L33-I211 HydrophobicContact CD2-CD1 3.37Å; L33-I211 HydrophobicContact CG-CD1 3.72Å; L37-I211 HydrophobicContact CD1-CG2 4.09Å; L37-I211 HydrophobicContact CD2-CG2 3.82Å; L37-I211 HydrophobicContact CG-CG2 4.41Å; L208-I211 HydrophobicContact CD2-CD1 4.4Å; L208-I211 WeakPolarHBondContact O-CB 3.48Å; L208-I211 PolarHBondContact O-N 2.96Å; L208-I211 VanDerWaalsContact O-N 3.17Å; E209-I211 PolarHBondContact O-N 3.32Å
212H89.8Confident91.9Very high57 Ų5756.9 Ų56.926%0.26431%0.305SS..Hα-helixtrans-65.8-46.6176.3179.984.3000111L208 E209 K215 Q221 L224 S298L208-H212 PolarHBondContact O-N 3.08Å; E209-H212 WeakPolarHBondContact O-CA 3.41Å; E209-H212 WeakPolarHBondContact O-CB 3.47Å; E209-H212 PolarHBondContact O-N 3.16Å; H212-K215 WeakPolarHBondContact O-CB 3.38Å; H212-Q221 PolarHBondContact CE1-NE2 2.86Å; H212-Q221 PolarHBondContact ND1-NE2 3.49Å; H212-L224 HydrophobicContact CB-CD1 4.01Å; H212-S298 VanDerWaalsContact CD2-CB 3.44Å; H212-S298 WeakPolarHBondContact CD2-CB 3.49Å; H212-S298 PolarHBondContact CD2-OG 2.88Å; H212-S298 VanDerWaalsContact NE2-CB 3.33Å; H212-S298 WeakPolarHBondContact NE2-CB 3.45Å
213V90.3Very high91.9Very high95 Ų9557.7 Ų57.758%0.57631%0.309SS*.Hα-helixtrans-73.4-42.1-176.2173.10000112.9E209 K215E209-V213 HydrophobicContact CG-CG2 4.12Å; E209-V213 WeakPolarHBondContact O-CG2 3.47Å; E209-V213 PolarHBondContact O-N 3.35Å; V213-K215 PolarHBondContact O-N 3.25Å
214N88.5Confident92Very high118 Ų11856.3 Ų56.363%0.63130%0.304SS*.THydrogen-bonded Turntrans-84.110.5-176.6-62.1-30.7000113.3A210 N216A210-N214 WeakPolarHBondContact O-CB 3.39Å; A210-N214 VanDerWaalsContact O-CG 3.24Å; A210-N214 PolarHBondContact O-N 2.85Å; A210-N214 PolarHBondContact O-ND2 2.86Å; A210-N214 VanDerWaalsContact O-ND2 3.16Å; N214-N216 PolarHBondContact O-N 2.94Å
215K86.6Confident92.1Very high60 Ų6056.4 Ų56.426%0.26131%0.305SS..  trans-67.9127.7179.5-176.3-162.8158.1-171.60110.6H212 V213 Q219 K220 Q221H212-K215 WeakPolarHBondContact O-CB 3.38Å; V213-K215 PolarHBondContact O-N 3.25Å; K215-Q219 WeakPolarHBondContact CE-O 3.49Å; K215-Q219 HydrophobicContact CG-CB 3.86Å; K215-Q219 PolarHBondContact NZ-O 3.32Å; K215-K220 VanDerWaalsContact CE-C 3.48Å; K215-K220 WeakPolarHBondContact CE-O 3.49Å; K215-Q221 VanDerWaalsContact NZ-N 3.16Å
216N86.3Confident92.1Very high107 Ų10756.4 Ų56.457%0.57231%0.305SS*.  trans-79.9156.7170.4-67-37.3000112N214 T218 Q219N214-N216 PolarHBondContact O-N 2.94Å; N216-T218 PolarHBondContact O-N 3.45Å; N216-Q219 HydrophobicContact CB-CG 4.42Å; N216-Q219 PolarHBondContact O-N 2.94Å
217S83Confident92.3Very high131 Ų13151.8 Ų51.892%0.91629%0.285SS*.THydrogen-bonded Turntrans-58.3-23-177.9-50.30000115
218T84.9Confident92.4Very high136 Ų13650.7 Ų50.783%0.83428%0.28SS*.THydrogen-bonded Turntrans-87.2-14.9178.654.50000113.6N216N216-T218 PolarHBondContact O-N 3.45Å
219Q86.2Confident92.5Very high85 Ų8551.7 Ų51.740%0.39729%0.287SS..SBendtrans-80.3153.6-179.8-69177.1-66.900110.4K215 N216K215-Q219 WeakPolarHBondContact CE-O 3.49Å; K215-Q219 HydrophobicContact CG-CB 3.86Å; K215-Q219 PolarHBondContact NZ-O 3.32Å; N216-Q219 HydrophobicContact CB-CG 4.42Å; N216-Q219 PolarHBondContact O-N 2.94Å
220K89.6Confident92.5Very high61 Ų6151.1 Ų51.127%0.26529%0.287SS..PPolyproline II helixtrans-66.5147.3173.974.3-172.6-167.6-164.10110.7I36 L37 H39 I42 K215 I222I36-K220 PolarHBondContact O-NZ 3.37Å; L37-K220 WeakPolarHBondContact O-CE 3.35Å; L37-K220 PolarHBondContact O-NZ 3.24Å; H39-K220 PolarHBondContact O-NZ 3.18Å; I42-K220 WeakPolarHBondContact O-CE 3.47Å; I42-K220 PolarHBondContact O-NZ 3.36Å; K215-K220 VanDerWaalsContact CE-C 3.48Å; K215-K220 WeakPolarHBondContact CE-O 3.49Å; K220-I222 HydrophobicContact CG-CD1 4.23Å
221Q91.6Very high92.6Very high64 Ų6450.4 Ų50.430%0.29928%0.281SS..PPolyproline II helixtrans-69.6134.7174.2-17358.639.700110.2N43 H212 K215 H223N43-Q221 WeakPolarHBondContact CB-O 3.29Å; H212-Q221 PolarHBondContact CE1-NE2 2.86Å; H212-Q221 PolarHBondContact ND1-NE2 3.49Å; K215-Q221 VanDerWaalsContact NZ-N 3.16Å; Q221-H223 VanDerWaalsContact CG-CE1 3.44Å; Q221-H223 WeakPolarHBondContact CG-CE1 3.45Å
222I95.1Very high92.8Very high5 Ų550.8 Ų50.83%0.02629%0.285CS..  trans-106.4130.5167.9-60-58.9000108.5L37 N43 I45 K220 L224L37-I222 HydrophobicContact CD2-CD1 3.94Å; L37-I222 HydrophobicContact CD2-CG1 3.57Å; N43-I222 WeakPolarHBondContact O-CA 3.18Å; I45-I222 HydrophobicContact CD1-CG2 3.82Å; I45-I222 HydrophobicContact CG1-CG2 3.93Å; K220-I222 HydrophobicContact CG-CD1 4.23Å; I222-L224 HydrophobicContact CG2-CD2 3.82Å
223H96.2Very high93.1Very high28 Ų2848.8 Ų48.813%0.1328%0.277CS..EExtended strand (participates in β ladder)trans-104.1121174.3-55.9-79.4000108.7N43 K44 I45 Q221 I393N43-H223 PolarHBondContact O-N 2.98Å; K44-H223 WeakPolarHBondContact CA-O 3.45Å; K44-H223 HydrophobicContact CG-CB 4.23Å; I45-H223 PolarHBondContact N-O 2.88Å; Q221-H223 VanDerWaalsContact CG-CE1 3.44Å; Q221-H223 WeakPolarHBondContact CG-CE1 3.45Å; H223-I393 HydrophobicContact CB-CD1 3.68Å; H223-I393 HydrophobicContact CB-CG1 4.13Å; H223-I393 WeakPolarHBondContact CE1-CG2 3.23Å
224L98Very high93.2Very high2 Ų248.7 Ų48.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-95.8142.4-176.8-58.9178.2000109.7I45 L208 H212 I222 S299 Y300I45-L224 HydrophobicContact CB-CD2 4.12Å; I45-L224 HydrophobicContact CD1-CD2 4.46Å; I45-L224 CarbonylContact O-C 3.5Å; L208-L224 HydrophobicContact CB-CD1 4Å; L208-L224 HydrophobicContact CB-CD2 4.08Å; L208-L224 WeakPolarHBondContact O-CD1 3.24Å; H212-L224 HydrophobicContact CB-CD1 4.01Å; I222-L224 HydrophobicContact CG2-CD2 3.82Å; L224-S299 CarbonylContact O-C 3.55Å; L224-S299 WeakPolarHBondContact O-CA 3.32Å; L224-Y300 PolarHBondContact O-N 3.49Å
225S98.4Very high93.6Very high2 Ų249.4 Ų49.41%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-142.5153.2172.754.40000111.5I45 V46 C47 Y300I45-S225 PolarHBondContact O-N 3.47Å; I45-S225 PolarHBondContact O-OG 3.21Å; I45-S225 VanDerWaalsContact O-OG 3.08Å; V46-S225 CarbonylContact C-O 3.4Å; V46-S225 WeakPolarHBondContact CA-O 3.34Å; V46-S225 WeakPolarHBondContact CA-OG 3.32Å; V46-S225 VanDerWaalsContact CB-OG 3.25Å; V46-S225 WeakPolarHBondContact CB-OG 3.09Å; V46-S225 WeakPolarHBondContact CG2-OG 3.5Å; C47-S225 PolarHBondContact N-O 3.21Å; S225-Y300 CarbonylContact C-O 3.54Å; S225-Y300 WeakPolarHBondContact CA-O 3.42Å; S225-Y300 VanDerWaalsContact CB-O 3.32Å; S225-Y300 WeakPolarHBondContact CB-O 3.4Å
226Y98.8Very high94Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-122.8133.1175-70.1-91.7000109.7C47 L201 A205 L228 L291 S299 Y300 V301 I302C47-Y226 HydrophobicContact CB-CD1 3.55Å; C47-Y226 HydrophobicContact CB-CE1 3.53Å; C47-Y226 HydrophobicContact CB-CG 4.4Å; C47-Y226 CarbonylContact O-C 3.54Å; C47-Y226 WeakPolarHBondContact O-CA 3.4Å; L201-Y226 HydrophobicContact CD1-CD1 4.3Å; L201-Y226 HydrophobicContact CD1-CE1 4.34Å; A205-Y226 VanDerWaalsContact CA-OH 3.24Å; A205-Y226 WeakPolarHBondContact CA-OH 3.38Å; Y226-L228 HydrophobicContact CD1-CD2 4.37Å; Y226-L291 HydrophobicContact CD1-CD1 4.33Å; Y226-L291 HydrophobicContact CD1-CD2 4.19Å; Y226-L291 HydrophobicContact CD2-CD1 4.28Å; Y226-L291 HydrophobicContact CD2-CD2 4.3Å; Y226-L291 HydrophobicContact CE1-CD1 4.11Å; Y226-L291 HydrophobicContact CE2-CD1 4.06Å; Y226-L291 HydrophobicContact CG-CD1 4.44Å; Y226-L291 HydrophobicContact CG-CD2 3.97Å; Y226-S299 VanDerWaalsContact CD2-OG 3.26Å; Y226-S299 WeakPolarHBondContact CD2-OG 3.44Å; Y226-S299 VanDerWaalsContact CE2-CB 3.5Å; Y226-S299 WeakPolarHBondContact CE2-OG 3.46Å; Y226-Y300 PolarHBondContact N-O 2.85Å; Y226-V301 HydrophobicContact CD2-CG2 4.25Å; Y226-I302 WeakPolarHBondContact O-CA 3.36Å; Y226-I302 WeakPolarHBondContact O-CB 3.39Å; Y226-I302 PolarHBondContact O-N 3.46Å
227Y98.8Very high94.4Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-11895.4172.8-175.4-88.1000108.2C47 I48 T49 R73 S77 F81 S229 I302 F304 I382 L385C47-Y227 PolarHBondContact O-N 3.49Å; I48-Y227 WeakPolarHBondContact CA-O 3.41Å; I48-Y227 HydrophobicContact CG2-CD1 3.96Å; T49-Y227 PolarHBondContact N-O 3.06Å; R73-Y227 HydrophobicContact CG-CE1 4.35Å; R73-Y227 WeakPolarHBondContact CG-OH 3.5Å; S77-Y227 VanDerWaalsContact OG-CZ 3.27Å; S77-Y227 PolarHBondContact OG-OH 3.31Å; F81-Y227 AromaticContact CE2-CD2 3.97Å; F81-Y227 HydrophobicContact CE2-CD2 3.97Å; F81-Y227 HydrophobicContact CE2-CE2 4.41Å; F81-Y227 HydrophobicContact CE2-CG 4.35Å; F81-Y227 HydrophobicContact CZ-CD2 4.34Å; Y227-S229 VanDerWaalsContact C-N 3.34Å; Y227-S229 WeakPolarHBondContact CD1-OG 3.36Å; Y227-S229 VanDerWaalsContact CE1-OG 3.32Å; Y227-S229 WeakPolarHBondContact CE1-OG 3.45Å; Y227-S229 PolarHBondContact O-N 2.69Å; Y227-S229 VanDerWaalsContact O-N 3.07Å; Y227-I302 HydrophobicContact CD2-CB 4.26Å; Y227-I302 HydrophobicContact CD2-CD1 4.23Å; Y227-I302 HydrophobicContact CD2-CG2 3.9Å; Y227-I302 HydrophobicContact CE2-CG2 4.3Å; Y227-F304 AromaticContact CD1-CE2 3.97Å; Y227-F304 HydrophobicContact CD1-CE2 3.97Å; Y227-F304 HydrophobicContact CD1-CZ 4.39Å; Y227-F304 AromaticContact CD2-CE2 3.99Å; Y227-F304 HydrophobicContact CD2-CE2 3.99Å; Y227-F304 HydrophobicContact CD2-CZ 4.19Å; Y227-F304 AromaticContact CE1-CE2 3.73Å; Y227-F304 HydrophobicContact CE1-CE2 3.73Å; Y227-F304 AromaticContact CE1-CZ 3.72Å; Y227-F304 HydrophobicContact CE1-CZ 3.72Å; Y227-F304 AromaticContact CE2-CE2 3.7Å; Y227-F304 HydrophobicContact CE2-CE2 3.7Å; Y227-F304 AromaticContact CE2-CZ 3.43Å; Y227-F304 HydrophobicContact CE2-CZ 3.43Å; Y227-F304 VanDerWaalsContact CE2-CZ 3.43Å; Y227-F304 HydrophobicContact CG-CE2 4.13Å; Y227-F304 AromaticContact CZ-CE2 3.59Å; Y227-F304 AromaticContact CZ-CZ 3.17Å; Y227-F304 VanDerWaalsContact OH-CZ 3.25Å; Y227-F304 WeakPolarHBondContact OH-CZ 3.42Å; Y227-I382 HydrophobicContact CE2-CD1 3.86Å; Y227-L385 HydrophobicContact CD2-CD1 4.27Å; Y227-L385 HydrophobicContact CE2-CD1 3.76Å
228L98.5Very high94.8Very high17 Ų1737.2 Ų37.29%0.08920%0.195CC..EExtended strand (participates in β ladder)trans-88.665-166.9-56.5179.2000111.9T49 L201 Y226 M288 L291 V301 I302 F304T49-L228 HydrophobicContact CG2-CD2 4.06Å; T49-L228 WeakPolarHBondContact OG1-CA 3.49Å; L201-L228 HydrophobicContact CD1-CD2 4.33Å; Y226-L228 HydrophobicContact CD1-CD2 4.37Å; L228-M288 HydrophobicContact CD1-CG 4.38Å; L228-M288 HydrophobicContact CD1-SD 4.2Å; L228-L291 HydrophobicContact CD1-CD2 3.87Å; L228-L291 HydrophobicContact CD2-CD2 4.15Å; L228-V301 HydrophobicContact CD1-CG1 3.89Å; L228-V301 HydrophobicContact CG-CG1 4.49Å; L228-I302 PolarHBondContact N-O 3.34Å; L228-F304 WeakPolarHBondContact O-CD2 3.46Å
229S97.9Very high95Very high21 Ų2135.4 Ų35.415%0.14717%0.173CC..  trans-93.50.7-173.467.10000116.1T49 Y227T49-S229 CarbonylContact O-C 3.59Å; T49-S229 VanDerWaalsContact O-C 3.3Å; T49-S229 WeakPolarHBondContact O-CA 3.45Å; T49-S229 PolarHBondContact O-N 2.97Å; T49-S229 PolarHBondContact O-OG 3.23Å; T49-S229 PolarHBondContact OG1-N 2.95Å; Y227-S229 VanDerWaalsContact C-N 3.34Å; Y227-S229 WeakPolarHBondContact CD1-OG 3.36Å; Y227-S229 VanDerWaalsContact CE1-OG 3.32Å; Y227-S229 WeakPolarHBondContact CE1-OG 3.45Å; Y227-S229 PolarHBondContact O-N 2.69Å; Y227-S229 VanDerWaalsContact O-N 3.07Å
230A98.1Very high95.2Very high13 Ų1336.5 Ų36.511%0.10718%0.178CC..SBendtrans-64.6143.9175.800000112T49 G51 F191 Y197 V232T49-A230 PolarHBondContact O-N 3.5Å; T49-A230 WeakPolarHBondContact OG1-CB 3.36Å; T49-A230 PolarHBondContact OG1-N 3.32Å; T49-A230 VanDerWaalsContact OG1-N 3.08Å; G51-A230 CarbonylContact O-C 3.58Å; G51-A230 VanDerWaalsContact O-CA 3.28Å; G51-A230 WeakPolarHBondContact O-CA 3.38Å; G51-A230 WeakPolarHBondContact O-CB 3.24Å; F191-A230 HydrophobicContact CZ-CB 4.23Å; Y197-A230 HydrophobicContact CD2-CB 4.45Å; Y197-A230 HydrophobicContact CE2-CB 3.83Å; A230-V232 HydrophobicContact CB-CG2 4.32Å; A230-V232 PolarHBondContact O-N 2.94Å
231A96.2Very high95.4Very high24 Ų2440.3 Ų40.320%0.19819%0.192CC..BIsolated β-bridgetrans-82.810017200000109G51 T53 N67G51-A231 PolarHBondContact O-N 3.03Å; T53-A231 PolarHBondContact N-O 2.89Å; T53-A231 PolarHBondContact OG1-O 2.9Å; N67-A231 PolarHBondContact ND2-O 2.68Å; N67-A231 VanDerWaalsContact ND2-O 3.11Å
232V96.5Very high95.5Very high40 Ų4038.3 Ų38.324%0.24218%0.181CC..  trans-97.2125.3-176.1-173.20000110.1T53 N67 I194 Y197 A230T53-V232 HydrophobicContact CG2-CG2 4.49Å; N67-V232 PolarHBondContact ND2-N 3.46Å; N67-V232 PolarHBondContact ND2-O 3.44Å; N67-V232 VanDerWaalsContact ND2-O 3.1Å; I194-V232 HydrophobicContact CD1-CG1 3.31Å; Y197-V232 HydrophobicContact CD1-CG1 4.22Å; Y197-V232 HydrophobicContact CD1-CG2 4.13Å; Y197-V232 HydrophobicContact CE1-CG1 4.07Å; Y197-V232 HydrophobicContact CE1-CG2 3.52Å; Y197-V232 HydrophobicContact CE2-CG2 4.19Å; A230-V232 HydrophobicContact CB-CG2 4.32Å; A230-V232 PolarHBondContact O-N 2.94Å
233S94.8Very high95.4Very high16 Ų1640.8 Ų40.811%0.11220%0.198CC..  trans-59.2141.7178.9-172.60000111.5T53 N67 Y235 V284T53-S233 PolarHBondContact OG1-N 3.37Å; N67-S233 PolarHBondContact ND2-N 3.04Å; S233-Y235 VanDerWaalsContact C-N 3.34Å; S233-Y235 WeakPolarHBondContact CB-O 3.26Å; S233-Y235 PolarHBondContact OG-N 3.17Å; S233-Y235 PolarHBondContact OG-O 2.93Å; S233-V284 WeakPolarHBondContact O-CB 3.29Å; S233-V284 VanDerWaalsContact O-CG2 3.31Å; S233-V284 WeakPolarHBondContact O-CG2 3.16Å
234D93.7Very high95.2Very high93 Ų9345 Ų4550%0.49722%0.218SC..SBendtrans-78.5-22.2174.5-74.7-48.4000112.8P283 V284 K286D234-P283 CarbonylContact O-C 3.51Å; D234-P283 WeakPolarHBondContact O-CA 3.14Å; D234-V284 PolarHBondContact O-N 3.44Å; D234-K286 IonicContact OD1-NZ 3.13Å; D234-K286 PolarHBondContact OD1-NZ 3.23Å
235Y96.1Very high94.9Very high133 Ų13350.7 Ų50.752%0.52224%0.244SC..EExtended strand (participates in β ladder)trans-130.2153.2-178.1-64.4-90000111.3V55 S233 L281 Q282 P283V55-Y235 VanDerWaalsContact CG2-O 3.32Å; V55-Y235 WeakPolarHBondContact CG2-O 3.36Å; S233-Y235 VanDerWaalsContact C-N 3.34Å; S233-Y235 WeakPolarHBondContact CB-O 3.26Å; S233-Y235 PolarHBondContact OG-N 3.17Å; S233-Y235 PolarHBondContact OG-O 2.93Å; Y235-L281 HydrophobicContact CD1-CB 4.42Å; Y235-L281 HydrophobicContact CG-CB 4.5Å; Y235-Q282 CarbonylContact C-O 3.54Å; Y235-Q282 WeakPolarHBondContact CA-O 3.47Å; Y235-P283 HydrophobicContact CE1-CB 4.44Å
236Y95.2Very high94.6Very high12 Ų1256.2 Ų56.25%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-144.416717780.7-66.1000111.5W7 N238 L281 Q282 P283 V284W7-Y236 HydrophobicContact CZ2-CD2 4.49Å; W7-Y236 HydrophobicContact CZ2-CE1 4.15Å; W7-Y236 AromaticContact CZ2-CE2 3.73Å; W7-Y236 HydrophobicContact CZ2-CE2 3.73Å; W7-Y236 AromaticContact CZ2-CZ 3.55Å; W7-Y236 PolarHBondContact NE1-OH 3.27Å; Y236-N238 WeakPolarHBondContact CE2-OD1 3.27Å; Y236-N238 VanDerWaalsContact CZ-OD1 3.28Å; Y236-N238 PolarHBondContact OH-OD1 3.21Å; Y236-L281 CarbonylContact O-C 3.54Å; Y236-L281 WeakPolarHBondContact O-CA 3.49Å; Y236-Q282 HydrophobicContact CD1-CB 4.09Å; Y236-Q282 VanDerWaalsContact CD1-O 3.23Å; Y236-Q282 WeakPolarHBondContact CD1-O 3.38Å; Y236-Q282 HydrophobicContact CE1-CB 3.59Å; Y236-Q282 PolarHBondContact N-O 2.67Å; Y236-Q282 PolarHBondContact O-N 3.16Å; Y236-P283 WeakPolarHBondContact CE1-O 3.32Å; Y236-V284 HydrophobicContact CD1-CG2 3.78Å; Y236-V284 HydrophobicContact CG-CG2 4.11Å
237L94Very high94.2Very high8 Ų857.4 Ų57.44%0.04227%0.274CS..  trans-111.7115.7175.1-18061.9000109.1V55 L57 R242 L281V55-L237 HydrophobicContact CG1-CB 4.3Å; L57-L237 HydrophobicContact CD2-CD2 4.13Å; L237-R242 HydrophobicContact CD2-CG 3.82Å; L237-R242 HydrophobicContact CG-CG 3.96Å; L237-R242 PolarHBondContact O-NE 3.08Å; L237-R242 PolarHBondContact O-NH2 3.14Å; L237-L281 HydrophobicContact CB-CD2 3.9Å; L237-L281 HydrophobicContact CD1-CD2 4.46Å
238N91.3Very high93.5Very high21 Ų2165.3 Ų65.311%0.11231%0.311CS..  trans-51.9142.2176.8-100.2-9.6000111.9Y236 E240 Y241 R242 Q282Y236-N238 WeakPolarHBondContact CE2-OD1 3.27Å; Y236-N238 VanDerWaalsContact CZ-OD1 3.28Å; Y236-N238 PolarHBondContact OH-OD1 3.21Å; N238-E240 HydrophobicContact CB-CG 4.17Å; N238-E240 PolarHBondContact ND2-OE1 2.73Å; N238-E240 PolarHBondContact O-N 2.88Å; N238-E240 VanDerWaalsContact O-N 3.15Å; N238-Y241 HydrophobicContact CB-CD2 3.59Å; N238-Y241 HydrophobicContact CB-CE2 3.89Å; N238-Y241 HydrophobicContact CB-CG 4.49Å; N238-Y241 PolarHBondContact O-N 2.96Å; N238-R242 PolarHBondContact O-N 2.84Å; N238-Q282 PolarHBondContact ND2-NE2 3.18Å; N238-Q282 PolarHBondContact ND2-OE1 3.29Å
239R90.7Very high92.9Very high98 Ų9869.2 Ų69.237%0.3734%0.335SS..G310 helixtrans-54.7-35.3-179.8-170.8-179-176.4-75.8-2.9113.1E14 Y241 R242E14-R239 WeakPolarHBondContact OE2-CD 3.23Å; R239-Y241 PolarHBondContact O-N 2.9Å; R239-R242 WeakPolarHBondContact O-CB 3.49Å; R239-R242 PolarHBondContact O-N 3.37Å
240E90.4Very high91.9Very high109 Ų10974.8 Ų74.851%0.50936%0.357SS..G310 helixtrans-67.9-20.2179.675.5-153.7155.600114.1K10 N238K10-E240 IonicContact NZ-OE2 3.64Å; N238-E240 HydrophobicContact CB-CG 4.17Å; N238-E240 PolarHBondContact ND2-OE1 2.73Å; N238-E240 PolarHBondContact O-N 2.88Å; N238-E240 VanDerWaalsContact O-N 3.15Å
241Y92.5Very high90.7Very high140 Ų14077.5 Ų77.555%0.54938%0.375SS..G310 helixtrans-99.5-0.8176.7-54.4-48.6000112.9N238 R239N238-Y241 HydrophobicContact CB-CD2 3.59Å; N238-Y241 HydrophobicContact CB-CE2 3.89Å; N238-Y241 HydrophobicContact CB-CG 4.49Å; N238-Y241 PolarHBondContact O-N 2.96Å; R239-Y241 PolarHBondContact O-N 2.9Å
242R93.8Very high89.2Confident22 Ų2282.4 Ų82.48%0.08340%0.395CS..SBendtrans-82.7125.7177.3-65.7178-160.2167.90.1109.6P56 I59 E195 L237 N238 R239P56-R242 WeakPolarHBondContact O-CD 3.49Å; P56-R242 PolarHBondContact O-NE 3.37Å; I59-R242 HydrophobicContact CG1-CB 4.01Å; E195-R242 IonicContact OE1-CZ 3.71Å; E195-R242 IonicContact OE1-NH1 3.98Å; E195-R242 IonicContact OE1-NH2 2.72Å; E195-R242 PolarHBondContact OE1-NH2 2.8Å; E195-R242 IonicContact OE2-NH2 3.25Å; L237-R242 HydrophobicContact CD2-CG 3.82Å; L237-R242 HydrophobicContact CG-CG 3.96Å; L237-R242 PolarHBondContact O-NE 3.08Å; L237-R242 PolarHBondContact O-NH2 3.14Å; N238-R242 PolarHBondContact O-N 2.84Å; R239-R242 WeakPolarHBondContact O-CB 3.49Å; R239-R242 PolarHBondContact O-N 3.37Å
243P93.6Very high87.3Confident57 Ų5787 Ų8737%0.3742%0.418SS..  trans-59.4151.3166.425.7-34.4000110.6L57 E58 I59 H245 I247L57-P243 WeakPolarHBondContact O-CD 3.49Å; E58-P243 CarbonylContact C-O 3.55Å; E58-P243 VanDerWaalsContact CA-O 3.27Å; E58-P243 WeakPolarHBondContact CA-O 3.37Å; E58-P243 WeakPolarHBondContact CB-O 3.38Å; E58-P243 HydrophobicContact CG-CG 4Å; I59-P243 PolarHBondContact N-O 3.08Å; P243-H245 VanDerWaalsContact C-N 3.34Å; P243-H245 PolarHBondContact O-N 3.02Å; P243-I247 HydrophobicContact CG-CD1 4.34Å; P243-I247 HydrophobicContact CG-CG1 3.75Å
244E91.7Very high85.2Confident118 Ų11891 Ų9155%0.55145%0.446SS*.SBendtrans-68.4-35.8-177.9-173.6173179.700112.7I59 N60I59-E244 HydrophobicContact CD1-CB 4.42Å; N60-E244 VanDerWaalsContact CB-O 3.27Å; N60-E244 WeakPolarHBondContact CB-O 3.38Å; N60-E244 PolarHBondContact N-O 3.38Å; N60-E244 VanDerWaalsContact N-O 3.09Å; N60-E244 PolarHBondContact ND2-O 2.93Å
245H92.8Very high83Confident120 Ų12093.2 Ų93.256%0.55646%0.463SS*.SBendtrans-123.6164.5-173.6-57.8-55.1000112N60 P243 I247N60-H245 PolarHBondContact ND2-ND1 3.25Å; P243-H245 VanDerWaalsContact C-N 3.34Å; P243-H245 PolarHBondContact O-N 3.02Å; H245-I247 PolarHBondContact O-N 3.49Å
246K92.1Very high80.4Confident118 Ų11893.2 Ų93.251%0.51348%0.477SS..  trans-39.7123.1180-174.8-178.1-175.4176.90112.2V62 Q248V62-K246 HydrophobicContact CB-CB 4.36Å; V62-K246 HydrophobicContact CB-CG 4.31Å; V62-K246 HydrophobicContact CG1-CB 4.49Å; V62-K246 HydrophobicContact CG1-CD 4.02Å; V62-K246 HydrophobicContact CG1-CG 4Å; V62-K246 HydrophobicContact CG2-CB 4.28Å; K246-Q248 PolarHBondContact O-N 3.27Å
247I88.6Confident77.8Confident25 Ų2599.6 Ų99.613%0.12852%0.517CS..PPolyproline II helixtrans-58.7123.8177.1-64.9160.7000109.4L57 E58 R63 P243 H245 L277L57-I247 HydrophobicContact CB-CD1 4.06Å; E58-I247 HydrophobicContact CG-CD1 4.19Å; E58-I247 HydrophobicContact CG-CG1 3.93Å; E58-I247 WeakPolarHBondContact OE1-CG1 3.41Å; E58-I247 PolarHBondContact OE1-N 3.16Å; R63-I247 PolarHBondContact NH1-O 3.3Å; R63-I247 PolarHBondContact NH2-O 3.33Å; P243-I247 HydrophobicContact CG-CD1 4.34Å; P243-I247 HydrophobicContact CG-CG1 3.75Å; H245-I247 PolarHBondContact O-N 3.49Å; I247-L277 HydrophobicContact CD1-CD2 4.42Å; I247-L277 HydrophobicContact CG2-CD1 3.96Å; I247-L277 HydrophobicContact CG2-CD2 4.1Å
248Q85.8Confident75.3Confident166 Ų166104.9 Ų104.978%0.77655%0.55SS**PPolyproline II helixtrans-98.3145.9178.4-62.7-172.64.900111.2K246 K250K246-Q248 PolarHBondContact O-N 3.27Å; Q248-K250 PolarHBondContact O-N 3.49Å
249T84.2Confident73Confident99 Ų99110.6 Ų110.661%0.60759%0.586SS**PPolyproline II helixtrans-69.9120.1167.7-52.90000108.5I274T249-I274 HydrophobicContact CG2-CG1 4.45Å; T249-I274 HydrophobicContact CG2-CG2 3.46Å; T249-I274 VanDerWaalsContact CG2-CG2 3.46Å
250K77.6Confident70.9Confident138 Ų138110.7 Ų110.760%0.661%0.608SS**PPolyproline II helixtrans-85.8121.3172.3-69.1172.7177.4178.60108.7Q248 E275Q248-K250 PolarHBondContact O-N 3.49Å; K250-E275 HydrophobicContact CB-CB 4.31Å; K250-E275 HydrophobicContact CB-CG 4.27Å; K250-E275 WeakPolarHBondContact CD-OE2 3.45Å; K250-E275 PolarHBondContact O-N 2.86Å
251S73.5Confident68.5Low70 Ų70114.5 Ų114.549%0.4962%0.623SS.*BIsolated β-bridgetrans-104.5135.1171.5174.40000108.6L253S251-L253 PolarHBondContact O-N 3.09Å
252M63.9Low66.1Low127 Ų127115 Ų11563%0.62664%0.635SS**SBendtrans-69.142.2176.6-75.8-73.2-175.900113.4R273 E275M252-R273 PolarHBondContact N-O 2.93Å; M252-R273 VanDerWaalsContact N-O 3.14Å; M252-E275 HydrophobicContact CE-CG 4.21Å; M252-E275 VanDerWaalsContact CE-OE1 3.23Å; M252-E275 WeakPolarHBondContact CE-OE1 3.46Å
253L56.3Low63.9Low136 Ų136117.7 Ų117.771%0.71266%0.657SS**  trans-117.460.8179.5-152.780000112.1S251S251-L253 PolarHBondContact O-N 3.09Å
254S50.5Low62Low100 Ų100123.4 Ų123.470%0.69968%0.684SS**SBendtrans-162.571.8162.341.90000111.4
255T48.4Very low60.2Low140 Ų140121.5 Ų121.586%0.85968%0.678SS**SBendtrans167.271.7137.835.90000112.3
256T41.1Very low58.2Low134 Ų134124.7 Ų124.782%0.82269%0.687SS**  trans-170.7111.8133.816.40000110.3T258T256-T258 PolarHBondContact O-N 3.45Å
257T41.3Very low56.4Low145 Ų145126.3 Ų126.389%0.8970%0.7SS**  trans-58.1111160.1-41.30000108.4
258T41.5Very low55Low119 Ų119130.3 Ų130.373%0.7372%0.722SS**  trans-160121.5154.450000111T256 A260T256-T258 PolarHBondContact O-N 3.45Å; T258-A260 PolarHBondContact O-N 3.49Å
259T42.6Very low53.6Low141 Ų141127.3 Ų127.387%0.86571%0.706SS**  trans-46.4114.4171.444.70000112.6
260A45.7Very low52.4Low100 Ų100125.4 Ų125.483%0.82670%0.697SS**  trans-135.9111.2161.600000109.7T258T258-A260 PolarHBondContact O-N 3.49Å
261K40.9Very low51.8Low190 Ų190124.6 Ų124.683%0.82670%0.698SS**  trans-74.7150174.8-70.6170.7170.8174.30110.1
262N41.5Very low51.4Low150 Ų150125.7 Ų125.780%0.80271%0.706SS**  trans72.5114.6154.7-56.9-9.9000118.6
263S49.2Very low51.8Low78 Ų78124.5 Ų124.555%0.54570%0.695SS.*  159.4140.6124.345.60000109.7D265S263-D265 PolarHBondContact O-N 3.38Å
264D52.7Low52.9Low177 Ų177122 Ų12295%0.94768%0.681SS**SBendtrans-68.428.4-166.9-63-47.6000116.1Y266D264-Y266 VanDerWaalsContact C-N 3.31Å; D264-Y266 PolarHBondContact O-N 3.32Å
265D54.2Low54.5Low79 Ų79121.3 Ų121.342%0.42267%0.667SS.*  trans-97.632.4177-170.136.1000111.9S263 L267 K269S263-D265 PolarHBondContact O-N 3.38Å; D265-L267 PolarHBondContact O-N 3.46Å; D265-K269 IonicContact OD2-NZ 3.97Å
266Y51.4Low56.4Low187 Ų187120.8 Ų120.873%0.73366%0.659SS**THydrogen-bonded Turntrans-73.3-24.7-166.7-119.3-96.7000114D264D264-Y266 VanDerWaalsContact C-N 3.31Å; D264-Y266 PolarHBondContact O-N 3.32Å
267L54.1Low58.6Low151 Ų151119.3 Ų119.379%0.79165%0.645SS**THydrogen-bonded Turntrans-77.4-41.5-173.4-151.575.7000111.7D265 S270D265-L267 PolarHBondContact O-N 3.46Å; L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 PolarHBondContact O-OG 2.87Å
268D59.3Low61Low110 Ų110119.8 Ų119.859%0.58864%0.637SS**Hα-helixtrans-76.1-39.8-173.8-16428.3000112.7S270 L271 S272D268-S270 PolarHBondContact O-N 2.85Å; D268-S270 VanDerWaalsContact O-N 3.1Å; D268-L271 PolarHBondContact O-N 2.96Å; D268-S272 PolarHBondContact O-N 2.84Å
269K56.3Low63.3Low102 Ų102117.5 Ų117.544%0.44362%0.62SS.*Hα-helixtrans-66.7-13.2175.7-70178.6-175.7166.80114.3D265 S272 R273D265-K269 IonicContact OD2-NZ 3.97Å; K269-S272 PolarHBondContact O-OG 2.91Å; K269-R273 PolarHBondContact O-NE 2.91Å; K269-R273 PolarHBondContact O-NH2 3.36Å
270S59.4Low65.8Low59 Ų59115.9 Ų115.941%0.41361%0.614SS.*Hα-helixtrans-78.9-37.2178.475.20000111.6L267 D268 R273L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 PolarHBondContact O-OG 2.87Å; D268-S270 PolarHBondContact O-N 2.85Å; D268-S270 VanDerWaalsContact O-N 3.1Å; S270-R273 PolarHBondContact O-N 3.47Å
271L64.2Low68.2Low121 Ų121114 Ų11463%0.63459%0.59SS**Hα-helixtrans-72.5-35.5177.4-71.4166.6000111.4D268 R273 I274D268-L271 PolarHBondContact O-N 2.96Å; L271-R273 PolarHBondContact O-N 3.33Å; L271-I274 PolarHBondContact O-N 3.11Å
272S65.5Low70.8Confident94 Ų94107.7 Ų107.766%0.65756%0.564SS**THydrogen-bonded Turntrans-66.41.6177.278.10000115D268 K269D268-S272 PolarHBondContact O-N 2.84Å; K269-S272 PolarHBondContact O-OG 2.91Å
273R72.2Confident73.3Confident101 Ų101104.9 Ų104.938%0.38155%0.554SS.*THydrogen-bonded Turntrans-114.71.3-175-75.4-172.6-103.8-165-4.7114.5M252 K269 S270 L271M252-R273 PolarHBondContact N-O 2.93Å; M252-R273 VanDerWaalsContact N-O 3.14Å; K269-R273 PolarHBondContact O-NE 2.91Å; K269-R273 PolarHBondContact O-NH2 3.36Å; S270-R273 PolarHBondContact O-N 3.47Å; L271-R273 PolarHBondContact O-N 3.33Å
274I78.6Confident75.5Confident84 Ų84101.6 Ų101.643%0.43153%0.53SS..BIsolated β-bridgetrans-95.6127.8178.6-62.4171.8000108.4T249 L271T249-I274 HydrophobicContact CG2-CG1 4.45Å; T249-I274 HydrophobicContact CG2-CG2 3.46Å; T249-I274 VanDerWaalsContact CG2-CG2 3.46Å; L271-I274 PolarHBondContact O-N 3.11Å
275E84.7Confident77.3Confident85 Ų8595 Ų9540%0.39750%0.497SS..PPolyproline II helixtrans-71.6136.3172.2-67.5-177.717900110.9K250 M252K250-E275 HydrophobicContact CB-CB 4.31Å; K250-E275 HydrophobicContact CB-CG 4.27Å; K250-E275 WeakPolarHBondContact CD-OE2 3.45Å; K250-E275 PolarHBondContact O-N 2.86Å; M252-E275 HydrophobicContact CE-CG 4.21Å; M252-E275 VanDerWaalsContact CE-OE1 3.23Å; M252-E275 WeakPolarHBondContact CE-OE1 3.46Å
276D87.9Confident79Confident130 Ų13095.9 Ų95.970%0.69550%0.497SS*.PPolyproline II helixtrans-65.6143.9172.8-74-23.5000111.5
277L87.5Confident81Confident102 Ų10287.5 Ų87.553%0.53447%0.465SS..  trans-90.7105.5170.6178.662.8000109.7I247 L279I247-L277 HydrophobicContact CD1-CD2 4.42Å; I247-L277 HydrophobicContact CG2-CD1 3.96Å; I247-L277 HydrophobicContact CG2-CD2 4.1Å; L277-L279 HydrophobicContact CD1-CD2 4.18Å; L277-L279 HydrophobicContact CD2-CG 4.45Å; L277-L279 HydrophobicContact CG-CD2 4.28Å; L277-L279 HydrophobicContact CG-CG 4.21Å
278H90.8Very high82.8Confident156 Ų15681.5 Ų81.572%0.72243%0.434SS*.  trans-93.8118.8172.4-62.3-79.8000110.8
279L90.9Very high84.4Confident71 Ų7180.3 Ų80.337%0.37242%0.423SS..  trans-107.8127.7173.6-62.9175.1000109.8L57 L277 L281L57-L279 HydrophobicContact CD1-CD1 3.91Å; L57-L279 HydrophobicContact CD2-CD1 3.88Å; L277-L279 HydrophobicContact CD1-CD2 4.18Å; L277-L279 HydrophobicContact CD2-CG 4.45Å; L277-L279 HydrophobicContact CG-CD2 4.28Å; L277-L279 HydrophobicContact CG-CG 4.21Å; L279-L281 HydrophobicContact CB-CD2 4.44Å
280S94.5Very high86.2Confident106 Ų10676 Ų7674%0.74141%0.405SS*.  trans-103.3109.3170.4-66.90000109.1
281L96.2Very high87.9Confident61 Ų6173.1 Ų73.132%0.31939%0.385SS..  trans-100.1152.1-179.5-51.7177.6000110.9I65 Y235 Y236 L237 L279I65-L281 HydrophobicContact CD1-CD1 3.59Å; I65-L281 HydrophobicContact CD1-CD2 4.18Å; Y235-L281 HydrophobicContact CD1-CB 4.42Å; Y235-L281 HydrophobicContact CG-CB 4.5Å; Y236-L281 CarbonylContact O-C 3.54Å; Y236-L281 WeakPolarHBondContact O-CA 3.49Å; L237-L281 HydrophobicContact CB-CD2 3.9Å; L237-L281 HydrophobicContact CD1-CD2 4.46Å; L279-L281 HydrophobicContact CB-CD2 4.44Å
282Q94.7Very high89.4Confident57 Ų5768.4 Ų68.427%0.26636%0.361SS..EExtended strand (participates in β ladder)trans-105.9148.1177.4-67.2164.7-6700109.9Y235 Y236 N238Y235-Q282 CarbonylContact C-O 3.54Å; Y235-Q282 WeakPolarHBondContact CA-O 3.47Å; Y236-Q282 HydrophobicContact CD1-CB 4.09Å; Y236-Q282 VanDerWaalsContact CD1-O 3.23Å; Y236-Q282 WeakPolarHBondContact CD1-O 3.38Å; Y236-Q282 HydrophobicContact CE1-CB 3.59Å; Y236-Q282 PolarHBondContact N-O 2.67Å; Y236-Q282 PolarHBondContact O-N 3.16Å; N238-Q282 PolarHBondContact ND2-NE2 3.18Å; N238-Q282 PolarHBondContact ND2-OE1 3.29Å
283P95.5Very high90.7Very high92 Ų9267.5 Ų67.560%0.59735%0.352SS*.EExtended strand (participates in β ladder)trans-66.4137.6175.927.9-34.2000110.8D234 Y235 Y236 P285D234-P283 CarbonylContact O-C 3.51Å; D234-P283 WeakPolarHBondContact O-CA 3.14Å; Y235-P283 HydrophobicContact CE1-CB 4.44Å; Y236-P283 WeakPolarHBondContact CE1-O 3.32Å; P283-P285 WeakPolarHBondContact O-CD 3.43Å
284V94.5Very high91.7Very high9 Ų967.4 Ų67.46%0.05536%0.358CS..PPolyproline II helixtrans-71.4124.1173174.50000109.1I194 L198 S233 D234 Y236 K286I194-V284 HydrophobicContact CD1-CG1 4.12Å; I194-V284 HydrophobicContact CD1-CG2 4.5Å; I194-V284 HydrophobicContact CG1-CG1 4.16Å; I194-V284 HydrophobicContact CG1-CG2 3.98Å; L198-V284 HydrophobicContact CD1-CG1 4.09Å; S233-V284 WeakPolarHBondContact O-CB 3.29Å; S233-V284 VanDerWaalsContact O-CG2 3.31Å; S233-V284 WeakPolarHBondContact O-CG2 3.16Å; D234-V284 PolarHBondContact O-N 3.44Å; Y236-V284 HydrophobicContact CD1-CG2 3.78Å; Y236-V284 HydrophobicContact CG-CG2 4.11Å; V284-K286 PolarHBondContact O-N 2.93Å
285P91.2Very high92.5Very high39 Ų3963.6 Ų63.625%0.25334%0.339SS..PPolyproline II helixtrans-59.6130.3175.6-24.434.9000111.8L4 W7 P283 V287L4-P285 HydrophobicContact CD1-CB 3.35Å; L4-P285 HydrophobicContact CD1-CG 3.8Å; L4-P285 HydrophobicContact CD2-CB 4.06Å; L4-P285 HydrophobicContact CG-CB 4.37Å; W7-P285 HydrophobicContact CD2-CG 4.49Å; W7-P285 HydrophobicContact CE3-CG 4.06Å; W7-P285 HydrophobicContact CH2-CG 3.89Å; W7-P285 HydrophobicContact CZ2-CG 4.37Å; W7-P285 HydrophobicContact CZ3-CB 4.33Å; W7-P285 HydrophobicContact CZ3-CG 3.73Å; P283-P285 WeakPolarHBondContact O-CD 3.43Å; P285-V287 PolarHBondContact O-N 3.07Å; P285-V287 VanDerWaalsContact O-N 3.11Å
286K90.2Very high93.1Very high96 Ų9659.5 Ų59.542%0.41732%0.32SS..  trans-76103.6179.5-59.7-62.2-175.5-1730109.9D234 V284 M288 Y324D234-K286 IonicContact OD1-NZ 3.13Å; D234-K286 PolarHBondContact OD1-NZ 3.23Å; V284-K286 PolarHBondContact O-N 2.93Å; K286-M288 VanDerWaalsContact C-N 3.34Å; K286-Y324 HydrophobicContact CB-CE1 3.93Å; K286-Y324 WeakPolarHBondContact CG-OH 3.25Å
287V92.6Very high93.4Very high11 Ų1156.8 Ų56.87%0.06731%0.309CS..THydrogen-bonded Turntrans-81.5-8.5-177.5-64.90000114.5L4 L198 L201 P285 K289 L290 L291 W295L4-V287 HydrophobicContact CD2-CG1 4.41Å; L198-V287 HydrophobicContact CD2-CB 4.4Å; L198-V287 HydrophobicContact CD2-CG1 3.77Å; L198-V287 HydrophobicContact CD2-CG2 3.71Å; L201-V287 HydrophobicContact CD2-CG2 4.15Å; P285-V287 PolarHBondContact O-N 3.07Å; P285-V287 VanDerWaalsContact O-N 3.11Å; V287-K289 PolarHBondContact O-N 2.98Å; V287-L290 WeakPolarHBondContact O-CA 3.24Å; V287-L290 WeakPolarHBondContact O-CB 3.24Å; V287-L290 PolarHBondContact O-N 3.1Å; V287-L291 PolarHBondContact O-N 3.5Å; V287-W295 HydrophobicContact CB-CH2 3.6Å; V287-W295 HydrophobicContact CB-CZ3 3.8Å; V287-W295 HydrophobicContact CG1-CH2 3.72Å; V287-W295 HydrophobicContact CG1-CZ3 4.38Å; V287-W295 HydrophobicContact CG2-CH2 4.4Å; V287-W295 HydrophobicContact CG2-CZ3 4.23Å
288M93.1Very high93.7Very high25 Ų2554 Ų5412%0.12330%0.298CS..Hα-helixtrans-57.4-36.5-178.6-174.2161.564.400112.7L228 K286 L290 L291 T292 S303 Y324L228-M288 HydrophobicContact CD1-CG 4.38Å; L228-M288 HydrophobicContact CD1-SD 4.2Å; K286-M288 VanDerWaalsContact C-N 3.34Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.45Å; M288-L291 WeakPolarHBondContact O-CB 3.44Å; M288-L291 PolarHBondContact O-N 3.3Å; M288-T292 PolarHBondContact O-N 3.41Å; M288-T292 PolarHBondContact O-OG1 3.27Å; M288-S303 WeakPolarHBondContact SD-CB 3.22Å; M288-S303 PolarHBondContact SD-OG 2.77Å; M288-Y324 HydrophobicContact CB-CD1 4.43Å; M288-Y324 HydrophobicContact CB-CG 4.4Å; M288-Y324 HydrophobicContact CE-CD1 4.33Å; M288-Y324 HydrophobicContact CE-CD2 3.13Å; M288-Y324 HydrophobicContact CE-CE2 3.97Å; M288-Y324 HydrophobicContact CE-CG 3.34Å; M288-Y324 HydrophobicContact CG-CG 4.46Å
289K92Very high94Very high85 Ų8547.2 Ų47.237%0.3727%0.268SS..Hα-helixtrans-62-43173.8-168.762.8171.2-173.60111.5V287 L291 T292 T293 M323 Y324V287-K289 PolarHBondContact O-N 2.98Å; K289-L291 VanDerWaalsContact C-N 3.31Å; K289-L291 PolarHBondContact O-N 2.88Å; K289-T292 PolarHBondContact O-N 3.24Å; K289-T292 PolarHBondContact O-OG1 3.23Å; K289-T293 HydrophobicContact CD-CG2 3.92Å; K289-T293 HydrophobicContact CG-CG2 4.3Å; K289-T293 WeakPolarHBondContact O-CB 3.34Å; K289-T293 WeakPolarHBondContact O-CG2 3.43Å; K289-T293 PolarHBondContact O-N 3.37Å; K289-T293 PolarHBondContact O-OG1 3Å; K289-M323 PolarHBondContact NZ-O 3.33Å; K289-Y324 HydrophobicContact CB-CD1 4.1Å
290L94Very high94.3Very high11 Ų1144.4 Ų44.46%0.05825%0.253CS..Hα-helixtrans-65.3-38.5178.4-64.3-174.4000111.6L4 L8 V287 M288 L294 W295L4-L290 HydrophobicContact CB-CD1 4.25Å; L4-L290 HydrophobicContact CD2-CD1 3.34Å; L4-L290 HydrophobicContact CD2-CG 3.98Å; L4-L290 HydrophobicContact CG-CD1 3.58Å; L8-L290 HydrophobicContact CD1-CD1 4.39Å; V287-L290 WeakPolarHBondContact O-CA 3.24Å; V287-L290 WeakPolarHBondContact O-CB 3.24Å; V287-L290 PolarHBondContact O-N 3.1Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.45Å; L290-L294 CarbonylContact O-C 3.57Å; L290-L294 WeakPolarHBondContact O-CA 3.45Å; L290-L294 WeakPolarHBondContact O-CB 3.46Å; L290-L294 PolarHBondContact O-N 3.11Å; L290-W295 HydrophobicContact CB-CD2 3.89Å; L290-W295 VanDerWaalsContact CB-CE2 3.49Å; L290-W295 HydrophobicContact CB-CE3 4.31Å; L290-W295 HydrophobicContact CB-CG 4.46Å; L290-W295 HydrophobicContact CB-CH2 4.11Å; L290-W295 HydrophobicContact CB-CZ2 3.62Å; L290-W295 HydrophobicContact CB-CZ3 4.42Å; L290-W295 HydrophobicContact CD1-CH2 4.08Å; L290-W295 HydrophobicContact CD1-CZ2 3.34Å; L290-W295 HydrophobicContact CG-CZ2 4.14Å; L290-W295 PolarHBondContact O-N 2.88Å
291L95.7Very high94.5Very high0 Ų039.4 Ų39.40%022%0.217CC..Iπ-helixtrans-57.4-52.7174-178.765.9000111.1A205 Y226 L228 V287 M288 K289 T293 W295 S296 V301A205-L291 HydrophobicContact CB-CD1 3.61Å; Y226-L291 HydrophobicContact CD1-CD1 4.33Å; Y226-L291 HydrophobicContact CD1-CD2 4.19Å; Y226-L291 HydrophobicContact CD2-CD1 4.28Å; Y226-L291 HydrophobicContact CD2-CD2 4.3Å; Y226-L291 HydrophobicContact CE1-CD1 4.11Å; Y226-L291 HydrophobicContact CE2-CD1 4.06Å; Y226-L291 HydrophobicContact CG-CD1 4.44Å; Y226-L291 HydrophobicContact CG-CD2 3.97Å; L228-L291 HydrophobicContact CD1-CD2 3.87Å; L228-L291 HydrophobicContact CD2-CD2 4.15Å; V287-L291 PolarHBondContact O-N 3.5Å; M288-L291 WeakPolarHBondContact O-CB 3.44Å; M288-L291 PolarHBondContact O-N 3.3Å; K289-L291 VanDerWaalsContact C-N 3.31Å; K289-L291 PolarHBondContact O-N 2.88Å; L291-T293 PolarHBondContact O-N 3.43Å; L291-W295 HydrophobicContact CB-CE3 4.27Å; L291-W295 HydrophobicContact CD1-CE3 4.48Å; L291-S296 CarbonylContact O-C 3.44Å; L291-S296 PolarHBondContact O-N 2.86Å; L291-V301 HydrophobicContact CD2-CG1 4.3Å; L291-V301 HydrophobicContact CD2-CG2 4.3Å
292T94.8Very high94.6Very high21 Ų2136.6 Ų36.613%0.12920%0.203CC..Iπ-helixtrans-74.4-22.5-174.656.70000114.1M288 K289 P297 V301 Y324M288-T292 PolarHBondContact O-N 3.41Å; M288-T292 PolarHBondContact O-OG1 3.27Å; K289-T292 PolarHBondContact O-N 3.24Å; K289-T292 PolarHBondContact O-OG1 3.23Å; T292-P297 WeakPolarHBondContact O-CA 3.23Å; T292-V301 HydrophobicContact CG2-CB 4.1Å; T292-V301 HydrophobicContact CG2-CG1 4.25Å; T292-V301 HydrophobicContact CG2-CG2 3.84Å; T292-Y324 PolarHBondContact OG1-O 2.83Å
293T93.5Very high94.8Very high76 Ų7634.4 Ų34.447%0.46619%0.194SC..Iπ-helixtrans-110.2-25-176.566.30000115.3K289 L291K289-T293 HydrophobicContact CD-CG2 3.92Å; K289-T293 HydrophobicContact CG-CG2 4.3Å; K289-T293 WeakPolarHBondContact O-CB 3.34Å; K289-T293 WeakPolarHBondContact O-CG2 3.43Å; K289-T293 PolarHBondContact O-N 3.37Å; K289-T293 PolarHBondContact O-OG1 3Å; L291-T293 PolarHBondContact O-N 3.43Å
294L93.6Very high94.8Very high98 Ų9832.1 Ų32.151%0.51318%0.175SC..Iπ-helixtrans-130.7-45.5-168.1-176.463.6000113.5L290L290-L294 CarbonylContact O-C 3.57Å; L290-L294 WeakPolarHBondContact O-CA 3.45Å; L290-L294 WeakPolarHBondContact O-CB 3.46Å; L290-L294 PolarHBondContact O-N 3.11Å
295W95.5Very high94.9Very high4 Ų434.4 Ų34.42%0.01518%0.184CC..Iπ-helixtrans-85.6-38-171.3-53.8-20.5000113L8 R202 A205 E209 V287 L290 L291L8-W295 HydrophobicContact CD1-CH2 3.67Å; L8-W295 HydrophobicContact CD1-CZ2 3.4Å; L8-W295 VanDerWaalsContact CD1-CZ2 3.4Å; R202-W295 HydrophobicContact CB-CD2 4.26Å; R202-W295 HydrophobicContact CB-CE3 4.08Å; R202-W295 HydrophobicContact CB-CH2 3.81Å; R202-W295 HydrophobicContact CB-CZ2 4.02Å; R202-W295 HydrophobicContact CB-CZ3 3.86Å; R202-W295 HydrophobicContact CG-CD2 4.02Å; R202-W295 HydrophobicContact CG-CE3 4.36Å; R202-W295 HydrophobicContact CG-CH2 4.17Å; R202-W295 HydrophobicContact CG-CZ2 3.84Å; R202-W295 HydrophobicContact CG-CZ3 4.43Å; A205-W295 HydrophobicContact CB-CB 3.66Å; E209-W295 VanDerWaalsContact CB-O 3.32Å; E209-W295 WeakPolarHBondContact CB-O 3.28Å; V287-W295 HydrophobicContact CB-CH2 3.6Å; V287-W295 HydrophobicContact CB-CZ3 3.8Å; V287-W295 HydrophobicContact CG1-CH2 3.72Å; V287-W295 HydrophobicContact CG1-CZ3 4.38Å; V287-W295 HydrophobicContact CG2-CH2 4.4Å; V287-W295 HydrophobicContact CG2-CZ3 4.23Å; L290-W295 HydrophobicContact CB-CD2 3.89Å; L290-W295 VanDerWaalsContact CB-CE2 3.49Å; L290-W295 HydrophobicContact CB-CE3 4.31Å; L290-W295 HydrophobicContact CB-CG 4.46Å; L290-W295 HydrophobicContact CB-CH2 4.11Å; L290-W295 HydrophobicContact CB-CZ2 3.62Å; L290-W295 HydrophobicContact CB-CZ3 4.42Å; L290-W295 HydrophobicContact CD1-CH2 4.08Å; L290-W295 HydrophobicContact CD1-CZ2 3.34Å; L290-W295 HydrophobicContact CG-CZ2 4.14Å; L290-W295 PolarHBondContact O-N 2.88Å; L291-W295 HydrophobicContact CB-CE3 4.27Å; L291-W295 HydrophobicContact CD1-CE3 4.48Å
296S96.4Very high95.1Very high0 Ų036.4 Ų36.40%019%0.192CC..  trans-149.768.2172.2-169.20000111.8E209 L291 S298 S299E209-S296 WeakPolarHBondContact OE2-CA 3.22Å; E209-S296 WeakPolarHBondContact OE2-CB 3.49Å; E209-S296 PolarHBondContact OE2-OG 2.76Å; L291-S296 CarbonylContact O-C 3.44Å; L291-S296 PolarHBondContact O-N 2.86Å; S296-S298 PolarHBondContact O-N 3.21Å; S296-S299 WeakPolarHBondContact O-CB 3.28Å; S296-S299 PolarHBondContact O-N 3.33Å; S296-S299 VanDerWaalsContact O-N 3.17Å; S296-S299 PolarHBondContact O-OG 3.46Å; S296-S299 WeakPolarHBondContact OG-CB 3.25Å; S296-S299 PolarHBondContact OG-OG 3.28Å
297P95.1Very high95.4Very high73 Ų7333 Ų3347%0.47418%0.177SC..THydrogen-bonded Turntrans-65.5-19.9-178.328.6-36.4000113.8T292 S299T292-P297 WeakPolarHBondContact O-CA 3.23Å; P297-S299 PolarHBondContact O-N 3.1Å
298S93.6Very high95.4Very high44 Ų4436.7 Ų36.731%0.30820%0.2SC..THydrogen-bonded Turntrans-79.4-5.1176.680.50000113.6E209 H212 S296E209-S298 PolarHBondContact OE2-OG 2.9Å; E209-S298 VanDerWaalsContact OE2-OG 3.08Å; H212-S298 VanDerWaalsContact CD2-CB 3.44Å; H212-S298 WeakPolarHBondContact CD2-CB 3.49Å; H212-S298 PolarHBondContact CD2-OG 2.88Å; H212-S298 VanDerWaalsContact NE2-CB 3.33Å; H212-S298 WeakPolarHBondContact NE2-CB 3.45Å; S296-S298 PolarHBondContact O-N 3.21Å
299S96.5Very high95.5Very high12 Ų1238.5 Ų38.58%0.08421%0.21CC..SBendtrans-90.4149.8-170.969.50000113.7L224 Y226 S296 P297L224-S299 CarbonylContact O-C 3.55Å; L224-S299 WeakPolarHBondContact O-CA 3.32Å; Y226-S299 VanDerWaalsContact CD2-OG 3.26Å; Y226-S299 WeakPolarHBondContact CD2-OG 3.44Å; Y226-S299 VanDerWaalsContact CE2-CB 3.5Å; Y226-S299 WeakPolarHBondContact CE2-OG 3.46Å; S296-S299 WeakPolarHBondContact O-CB 3.28Å; S296-S299 PolarHBondContact O-N 3.33Å; S296-S299 VanDerWaalsContact O-N 3.17Å; S296-S299 PolarHBondContact O-OG 3.46Å; S296-S299 WeakPolarHBondContact OG-CB 3.25Å; S296-S299 PolarHBondContact OG-OG 3.28Å; P297-S299 PolarHBondContact O-N 3.1Å
300Y97.5Very high95.6Very high12 Ų1239.9 Ų39.95%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-84.8111169.8-168.3-91.1000110.6L224 S225 Y226 I302 N327 V328 L388 H389 T392L224-Y300 PolarHBondContact O-N 3.49Å; S225-Y300 CarbonylContact C-O 3.54Å; S225-Y300 WeakPolarHBondContact CA-O 3.42Å; S225-Y300 VanDerWaalsContact CB-O 3.32Å; S225-Y300 WeakPolarHBondContact CB-O 3.4Å; Y226-Y300 PolarHBondContact N-O 2.85Å; Y300-I302 HydrophobicContact CD1-CD1 4.16Å; Y300-I302 HydrophobicContact CD1-CG1 3.91Å; Y300-I302 HydrophobicContact CE1-CD1 4.09Å; Y300-I302 HydrophobicContact CE1-CG1 3.71Å; Y300-N327 WeakPolarHBondContact CA-OD1 3.17Å; Y300-N327 HydrophobicContact CD1-CB 4.18Å; Y300-N327 HydrophobicContact CD2-CB 3.6Å; Y300-N327 VanDerWaalsContact CD2-CG 3.41Å; Y300-N327 HydrophobicContact CE1-CB 3.92Å; Y300-N327 HydrophobicContact CE2-CB 3.3Å; Y300-N327 HydrophobicContact CG-CB 4.04Å; Y300-N327 VanDerWaalsContact CZ-CB 3.49Å; Y300-V328 HydrophobicContact CE1-CG2 4.1Å; Y300-V328 WeakPolarHBondContact OH-CG2 3.46Å; Y300-L388 VanDerWaalsContact OH-CB 3.28Å; Y300-L388 WeakPolarHBondContact OH-CB 3.36Å; Y300-H389 WeakPolarHBondContact CB-CD2 3.32Å; Y300-H389 HydrophobicContact CD1-CB 3.97Å; Y300-H389 AromaticContact CD1-CD2 3.99Å; Y300-H389 HydrophobicContact CD2-CB 4.48Å; Y300-H389 AromaticContact CD2-CD2 3.74Å; Y300-H389 HydrophobicContact CE1-CB 3.99Å; Y300-H389 HydrophobicContact CE2-CB 4.49Å; Y300-H389 HydrophobicContact CG-CB 4.22Å; Y300-H389 AromaticContact CG-CD2 3.43Å; Y300-H389 VanDerWaalsContact CG-CD2 3.43Å; Y300-H389 AromaticContact CG-CG 3.93Å; Y300-T392 HydrophobicContact CD2-CG2 4.15Å; Y300-T392 HydrophobicContact CE2-CG2 4.32Å; Y300-T392 WeakPolarHBondContact CE2-OG1 3.44Å
301V98.3Very high95.7Very high1 Ų146.9 Ų46.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-102.2119.7-173.9-177.50000111.5Y226 L228 L291 T292 P326 N327 V328Y226-V301 HydrophobicContact CD2-CG2 4.25Å; L228-V301 HydrophobicContact CD1-CG1 3.89Å; L228-V301 HydrophobicContact CG-CG1 4.49Å; L291-V301 HydrophobicContact CD2-CG1 4.3Å; L291-V301 HydrophobicContact CD2-CG2 4.3Å; T292-V301 HydrophobicContact CG2-CB 4.1Å; T292-V301 HydrophobicContact CG2-CG1 4.25Å; T292-V301 HydrophobicContact CG2-CG2 3.84Å; V301-P326 HydrophobicContact CB-CB 4.18Å; V301-P326 HydrophobicContact CG1-CB 3.97Å; V301-N327 PolarHBondContact N-OD1 3.08Å; V301-N327 PolarHBondContact O-N 3.49Å; V301-V328 PolarHBondContact O-N 3.38Å
302I98.7Very high95.8Very high3 Ų350.2 Ų50.22%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-105.5119.3171.2-58155.2000107.3F81 Y226 Y227 L228 Y300 F304 V328 V330 L385F81-I302 HydrophobicContact CZ-CD1 4.46Å; Y226-I302 WeakPolarHBondContact O-CA 3.36Å; Y226-I302 WeakPolarHBondContact O-CB 3.39Å; Y226-I302 PolarHBondContact O-N 3.46Å; Y227-I302 HydrophobicContact CD2-CB 4.26Å; Y227-I302 HydrophobicContact CD2-CD1 4.23Å; Y227-I302 HydrophobicContact CD2-CG2 3.9Å; Y227-I302 HydrophobicContact CE2-CG2 4.3Å; L228-I302 PolarHBondContact N-O 3.34Å; Y300-I302 HydrophobicContact CD1-CD1 4.16Å; Y300-I302 HydrophobicContact CD1-CG1 3.91Å; Y300-I302 HydrophobicContact CE1-CD1 4.09Å; Y300-I302 HydrophobicContact CE1-CG1 3.71Å; I302-F304 HydrophobicContact CG2-CE2 4.2Å; I302-V328 WeakPolarHBondContact CA-O 3.28Å; I302-V330 HydrophobicContact CG2-CG2 3.72Å; I302-L385 HydrophobicContact CD1-CB 4.25Å; I302-L385 HydrophobicContact CD1-CD1 4.29Å; I302-L385 HydrophobicContact CD1-CD2 4.41Å; I302-L385 HydrophobicContact CG1-CD2 4.4Å; I302-L385 HydrophobicContact CG2-CD1 4.08Å; I302-L385 HydrophobicContact CG2-CD2 4.15Å
303S97.8Very high95.9Very high11 Ų1149.2 Ų49.28%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-121.3162179.9-175.90000111.3M288 V328 I329 V330M288-S303 WeakPolarHBondContact SD-CB 3.22Å; M288-S303 PolarHBondContact SD-OG 2.77Å; S303-V328 PolarHBondContact N-O 2.91Å; S303-I329 CarbonylContact O-C 3.6Å; S303-I329 WeakPolarHBondContact O-CA 3.31Å; S303-V330 PolarHBondContact O-N 3.49Å
304F97.2Very high96.1Very high43 Ų4348.2 Ų48.219%0.18925%0.253CS..EExtended strand (participates in β ladder)trans-114.2144.2-173-77.2-97.4000111.5Y227 L228 I302 V330Y227-F304 AromaticContact CD1-CE2 3.97Å; Y227-F304 HydrophobicContact CD1-CE2 3.97Å; Y227-F304 HydrophobicContact CD1-CZ 4.39Å; Y227-F304 AromaticContact CD2-CE2 3.99Å; Y227-F304 HydrophobicContact CD2-CE2 3.99Å; Y227-F304 HydrophobicContact CD2-CZ 4.19Å; Y227-F304 AromaticContact CE1-CE2 3.73Å; Y227-F304 HydrophobicContact CE1-CE2 3.73Å; Y227-F304 AromaticContact CE1-CZ 3.72Å; Y227-F304 HydrophobicContact CE1-CZ 3.72Å; Y227-F304 AromaticContact CE2-CE2 3.7Å; Y227-F304 HydrophobicContact CE2-CE2 3.7Å; Y227-F304 AromaticContact CE2-CZ 3.43Å; Y227-F304 HydrophobicContact CE2-CZ 3.43Å; Y227-F304 VanDerWaalsContact CE2-CZ 3.43Å; Y227-F304 HydrophobicContact CG-CE2 4.13Å; Y227-F304 AromaticContact CZ-CE2 3.59Å; Y227-F304 AromaticContact CZ-CZ 3.17Å; Y227-F304 VanDerWaalsContact OH-CZ 3.25Å; Y227-F304 WeakPolarHBondContact OH-CZ 3.42Å; L228-F304 WeakPolarHBondContact O-CD2 3.46Å; I302-F304 HydrophobicContact CG2-CE2 4.2Å; F304-V330 CarbonylContact C-O 3.53Å; F304-V330 WeakPolarHBondContact CA-O 3.44Å; F304-V330 HydrophobicContact CD1-CB 3.76Å; F304-V330 HydrophobicContact CD1-CG1 3.99Å; F304-V330 HydrophobicContact CE1-CB 3.49Å; F304-V330 VanDerWaalsContact CE1-CB 3.49Å; F304-V330 HydrophobicContact CE1-CG1 3.49Å; F304-V330 VanDerWaalsContact CE1-CG1 3.49Å; F304-V330 HydrophobicContact CE1-CG2 4.01Å; F304-V330 HydrophobicContact CE2-CB 4.47Å; F304-V330 HydrophobicContact CE2-CG2 4.38Å; F304-V330 HydrophobicContact CG-CB 4.34Å; F304-V330 HydrophobicContact CZ-CB 3.84Å; F304-V330 HydrophobicContact CZ-CG1 4.13Å; F304-V330 HydrophobicContact CZ-CG2 3.83Å
305K96.2Very high96.3Very high57 Ų5747 Ų4725%0.24825%0.25CC..EExtended strand (participates in β ladder)trans-130.6110.2167.5-171.162.3-173.81540110.2E307 I329 V330 A331 N332K305-E307 WeakPolarHBondContact CE-OE1 3.39Å; K305-E307 HydrophobicContact CG-CG 4.46Å; K305-E307 IonicContact NZ-OE1 3.24Å; K305-E307 PolarHBondContact NZ-OE1 3.43Å; K305-I329 HydrophobicContact CB-CG2 3.85Å; K305-V330 PolarHBondContact N-O 3.22Å; K305-A331 CarbonylContact O-C 3.4Å; K305-A331 VanDerWaalsContact O-CA 3.28Å; K305-A331 WeakPolarHBondContact O-CA 3.42Å; K305-N332 PolarHBondContact O-N 2.88Å
306L95.5Very high96.4Very high82 Ų8249.9 Ų49.943%0.42926%0.262SS..EExtended strand (participates in β ladder)trans-99.9131173.1-166.366.6000108.9N332 L334 R337L306-N332 WeakPolarHBondContact CA-O 3.41Å; L306-N332 HydrophobicContact CD1-CB 3.85Å; L306-L334 HydrophobicContact CD2-CD1 3.98Å; L306-R337 HydrophobicContact CD1-CB 4.27Å
307E95.2Very high96.5Very high23 Ų2349.9 Ų49.911%0.10726%0.262CS..EExtended strand (participates in β ladder)trans-133.7164.7173-73.6-69.4151.800111.1K305 L313 K316 N332 L333 L334K305-E307 WeakPolarHBondContact CE-OE1 3.39Å; K305-E307 HydrophobicContact CG-CG 4.46Å; K305-E307 IonicContact NZ-OE1 3.24Å; K305-E307 PolarHBondContact NZ-OE1 3.43Å; E307-L313 HydrophobicContact CB-CB 4.38Å; E307-L313 HydrophobicContact CB-CD1 3.9Å; E307-L313 HydrophobicContact CG-CD1 4.1Å; E307-K316 VanDerWaalsContact CD-CD 3.43Å; E307-K316 HydrophobicContact CG-CD 4.1Å; E307-K316 WeakPolarHBondContact OE1-CD 3.46Å; E307-K316 WeakPolarHBondContact OE1-CE 3.2Å; E307-K316 IonicContact OE1-NZ 2.68Å; E307-K316 PolarHBondContact OE1-NZ 3.18Å; E307-K316 IonicContact OE2-NZ 3.93Å; E307-K316 PolarHBondContact OE2-NZ 3.05Å; E307-N332 PolarHBondContact N-O 3.08Å; E307-L333 CarbonylContact O-C 3.58Å; E307-L333 VanDerWaalsContact O-CA 3.32Å; E307-L333 WeakPolarHBondContact O-CA 3.23Å; E307-L334 PolarHBondContact O-N 2.73Å
308T93.9Very high96.6Very high90 Ų9050.3 Ų50.355%0.55226%0.257SS*.SBendtrans-105.9-17173.153.80000112.4L334T308-L334 HydrophobicContact CG2-CB 4.17Å; T308-L334 HydrophobicContact CG2-CD2 4Å
309D95.5Very high96.7Very high62 Ų6253.3 Ų53.333%0.33227%0.266SS..  trans-109.6118.4178.7-177-7.3000110.5Q311 L312 L313D309-Q311 VanDerWaalsContact C-N 3.26Å; D309-Q311 PolarHBondContact O-N 2.98Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.45Å; D309-Q311 PolarHBondContact OD1-N 3.44Å; D309-L312 HydrophobicContact CB-CB 4.32Å; D309-L312 HydrophobicContact CB-CD1 4.14Å; D309-L312 HydrophobicContact CB-CG 4.2Å; D309-L312 PolarHBondContact O-N 2.85Å; D309-L313 PolarHBondContact O-N 2.79Å
310H94.4Very high96.7Very high115 Ų11553.6 Ų53.653%0.53227%0.268SS..Hα-helixtrans-59.8-34.8178-174.4-81.4000112.6L312 L313 L333H310-L312 PolarHBondContact O-N 2.96Å; H310-L313 PolarHBondContact O-N 3.25Å; H310-L333 HydrophobicContact CB-CD1 4.12Å; H310-L333 HydrophobicContact CB-CD2 4.43Å
311Q95.9Very high96.6Very high158 Ų15853.1 Ų53.174%0.73827%0.266SS*.Hα-helixtrans-68.2-27.6-179-60.4-174.6-7.900112D309D309-Q311 VanDerWaalsContact C-N 3.26Å; D309-Q311 PolarHBondContact O-N 2.98Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.45Å; D309-Q311 PolarHBondContact OD1-N 3.44Å
312L96.6Very high96.4Very high69 Ų6958.9 Ų58.936%0.36129%0.293SS..Hα-helixtrans-92.5-20.9-178.9-62.6-179.8000113.5D309 H310 V315 K316D309-L312 HydrophobicContact CB-CB 4.32Å; D309-L312 HydrophobicContact CB-CD1 4.14Å; D309-L312 HydrophobicContact CB-CG 4.2Å; D309-L312 PolarHBondContact O-N 2.85Å; H310-L312 PolarHBondContact O-N 2.96Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-K316 HydrophobicContact CB-CD 4.16Å; L312-K316 HydrophobicContact CB-CG 4.49Å; L312-K316 WeakPolarHBondContact O-CB 3.45Å; L312-K316 WeakPolarHBondContact O-CG 3.3Å; L312-K316 PolarHBondContact O-N 3.07Å
313L97.8Very high96.2Very high1 Ų164.1 Ų64.11%0.00532%0.319CS..Hα-helixtrans-55-60.6-171.2-179.465000112.7E307 D309 H310 V315 K316 A317 A331 N332 L333 W342E307-L313 HydrophobicContact CB-CB 4.38Å; E307-L313 HydrophobicContact CB-CD1 3.9Å; E307-L313 HydrophobicContact CG-CD1 4.1Å; D309-L313 PolarHBondContact O-N 2.79Å; H310-L313 PolarHBondContact O-N 3.25Å; L313-V315 PolarHBondContact O-N 2.82Å; L313-K316 PolarHBondContact O-N 3.38Å; L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.35Å; L313-A331 HydrophobicContact CD1-CB 3.79Å; L313-A331 HydrophobicContact CD2-CB 4.32Å; L313-A331 HydrophobicContact CG-CB 3.98Å; L313-N332 WeakPolarHBondContact CD1-O 3.37Å; L313-L333 HydrophobicContact CD2-CD2 4.35Å; L313-L333 HydrophobicContact CD2-CG 4.14Å; L313-W342 HydrophobicContact CD2-CD2 4.21Å; L313-W342 HydrophobicContact CD2-CE3 3.49Å; L313-W342 VanDerWaalsContact CD2-CE3 3.49Å; L313-W342 HydrophobicContact CD2-CZ3 3.68Å
314L98Very high96Very high54 Ų5465.7 Ų65.728%0.28332%0.324SS..Hα-helixtrans-71.1-32-176.9-65.7-179000112.2A317 K318 W342 V344 V355L314-A317 PolarHBondContact O-N 2.9Å; L314-K318 WeakPolarHBondContact O-CB 3.17Å; L314-K318 VanDerWaalsContact O-CG 3.23Å; L314-K318 WeakPolarHBondContact O-CG 3.07Å; L314-K318 PolarHBondContact O-N 2.9Å; L314-W342 HydrophobicContact CD2-CB 3.93Å; L314-W342 HydrophobicContact CD2-CG 4.06Å; L314-V344 HydrophobicContact CD2-CG2 4.04Å; L314-V355 HydrophobicContact CD1-CG1 4.31Å; L314-V355 HydrophobicContact CD2-CG1 3.85Å
315V97.6Very high95.7Very high73 Ų7368.1 Ų68.144%0.44234%0.338SS..Hα-helixtrans-61.3-52.6175.8176.40000109.9L312 L313 A317 K318 Q319L312-V315 PolarHBondContact O-N 3.49Å; L313-V315 PolarHBondContact O-N 2.82Å; V315-A317 PolarHBondContact O-N 2.79Å; V315-K318 PolarHBondContact O-N 2.68Å; V315-Q319 VanDerWaalsContact O-CG 3.31Å; V315-Q319 WeakPolarHBondContact O-CG 3.35Å; V315-Q319 PolarHBondContact O-N 2.83Å
316K97.3Very high95.7Very high64 Ų6465.6 Ų65.628%0.27833%0.328SS..Hα-helixtrans-69.3-33.1180-67.5176.9174.1174.60112.4E307 L312 L313 S320E307-K316 VanDerWaalsContact CD-CD 3.43Å; E307-K316 HydrophobicContact CG-CD 4.1Å; E307-K316 WeakPolarHBondContact OE1-CD 3.46Å; E307-K316 WeakPolarHBondContact OE1-CE 3.2Å; E307-K316 IonicContact OE1-NZ 2.68Å; E307-K316 PolarHBondContact OE1-NZ 3.18Å; E307-K316 IonicContact OE2-NZ 3.93Å; E307-K316 PolarHBondContact OE2-NZ 3.05Å; L312-K316 HydrophobicContact CB-CD 4.16Å; L312-K316 HydrophobicContact CB-CG 4.49Å; L312-K316 WeakPolarHBondContact O-CB 3.45Å; L312-K316 WeakPolarHBondContact O-CG 3.3Å; L312-K316 PolarHBondContact O-N 3.07Å; L313-K316 PolarHBondContact O-N 3.38Å; K316-S320 VanDerWaalsContact O-CB 3.29Å; K316-S320 WeakPolarHBondContact O-CB 3.48Å; K316-S320 PolarHBondContact O-N 3.05Å
317A97.9Very high95.7Very high0 Ų064.3 Ų64.30%032%0.322CS..Hα-helixtrans-63.5-46.3174.800000111.6L313 L314 V315 S320 L321 I329 A331 V344L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.35Å; L314-A317 PolarHBondContact O-N 2.9Å; V315-A317 PolarHBondContact O-N 2.79Å; A317-S320 PolarHBondContact O-N 3Å; A317-L321 PolarHBondContact O-N 3.49Å; A317-I329 HydrophobicContact CB-CG2 3.87Å; A317-A331 HydrophobicContact CB-CB 4Å; A317-V344 HydrophobicContact CB-CB 4.36Å; A317-V344 HydrophobicContact CB-CG2 3.89Å
318K97.5Very high95.9Very high82 Ų8263.2 Ų63.236%0.35732%0.316SS..Hα-helixtrans-62.8-45.6175.4-71.1178.3177.4-174.60112.1L314 V315 S320 L321 E322 V344 I353L314-K318 WeakPolarHBondContact O-CB 3.17Å; L314-K318 VanDerWaalsContact O-CG 3.23Å; L314-K318 WeakPolarHBondContact O-CG 3.07Å; L314-K318 PolarHBondContact O-N 2.9Å; V315-K318 PolarHBondContact O-N 2.68Å; K318-S320 VanDerWaalsContact C-N 3.32Å; K318-S320 PolarHBondContact O-N 3.39Å; K318-L321 WeakPolarHBondContact O-CB 3.47Å; K318-L321 PolarHBondContact O-N 3.45Å; K318-E322 WeakPolarHBondContact O-CG 3.44Å; K318-E322 PolarHBondContact O-N 2.85Å; K318-V344 HydrophobicContact CG-CG1 3.92Å; K318-I353 HydrophobicContact CB-CD1 4.12Å; K318-I353 HydrophobicContact CD-CD1 4.49Å; K318-I353 HydrophobicContact CG-CD1 4.1Å; K318-I353 HydrophobicContact CG-CG2 4.12Å
319Q96.3Very high96.1Very high107 Ų10759 Ų5950%0.529%0.29SS..Hα-helixtrans-59-42.4175.4-73.9173.7-1300112.2V315 E322 M323V315-Q319 VanDerWaalsContact O-CG 3.31Å; V315-Q319 WeakPolarHBondContact O-CG 3.35Å; V315-Q319 PolarHBondContact O-N 2.83Å; Q319-E322 PolarHBondContact O-N 2.89Å; Q319-M323 VanDerWaalsContact O-CB 3.23Å; Q319-M323 WeakPolarHBondContact O-CB 3.33Å; Q319-M323 PolarHBondContact O-N 3.13Å
320S95.6Very high96.2Very high18 Ų1856 Ų5613%0.12627%0.274CS..Hα-helixtrans-63.6-43.1176.4-173.20000111.7K316 A317 K318 E322 M323 Y324K316-S320 VanDerWaalsContact O-CB 3.29Å; K316-S320 WeakPolarHBondContact O-CB 3.48Å; K316-S320 PolarHBondContact O-N 3.05Å; A317-S320 PolarHBondContact O-N 3Å; K318-S320 VanDerWaalsContact C-N 3.32Å; K318-S320 PolarHBondContact O-N 3.39Å; S320-E322 VanDerWaalsContact C-N 3.35Å; S320-E322 PolarHBondContact O-N 2.67Å; S320-M323 PolarHBondContact O-N 3.39Å; S320-Y324 WeakPolarHBondContact O-CB 3.43Å; S320-Y324 WeakPolarHBondContact O-CD2 3.31Å; S320-Y324 PolarHBondContact O-N 3.15Å; S320-Y324 WeakPolarHBondContact OG-CD2 3.32Å
321L95.8Very high96.4Very high2 Ų250.5 Ų50.51%0.0125%0.249CC..Hα-helixtrans-57.8-47.2176.2-175.967.7000111.1A317 K318 N325 P326 I329 V344 K346 I353A317-L321 PolarHBondContact O-N 3.49Å; K318-L321 WeakPolarHBondContact O-CB 3.47Å; K318-L321 PolarHBondContact O-N 3.45Å; L321-N325 WeakPolarHBondContact O-CA 3.05Å; L321-N325 PolarHBondContact O-N 2.87Å; L321-P326 HydrophobicContact CD1-CG 4.2Å; L321-P326 WeakPolarHBondContact CD1-O 3.16Å; L321-I329 HydrophobicContact CB-CG1 4.07Å; L321-I329 HydrophobicContact CD1-CG1 4.3Å; L321-V344 HydrophobicContact CD2-CG1 4.12Å; L321-K346 HydrophobicContact CD2-CG 4.15Å; L321-I353 HydrophobicContact CD2-CD1 4.29Å; L321-I353 HydrophobicContact CD2-CG1 4.1Å; L321-I353 HydrophobicContact CD2-CG2 3.88Å
322E94.5Very high96.4Very high122 Ų12243.1 Ų43.157%0.5721%0.214SC*.Hα-helixtrans-68.6-43179.3-69.6173.7172.100113K318 Q319 S320 I353K318-E322 WeakPolarHBondContact O-CG 3.44Å; K318-E322 PolarHBondContact O-N 2.85Å; Q319-E322 PolarHBondContact O-N 2.89Å; S320-E322 VanDerWaalsContact C-N 3.35Å; S320-E322 PolarHBondContact O-N 2.67Å; E322-I353 HydrophobicContact CG-CD1 4.29Å
323M93.5Very high96.4Very high114 Ų11440.7 Ų40.756%0.56220%0.202SC*.Hα-helixtrans-69.3-46.2-175-174176.7-66.300112.1K289 Q319 S320K289-M323 PolarHBondContact NZ-O 3.33Å; Q319-M323 VanDerWaalsContact O-CB 3.23Å; Q319-M323 WeakPolarHBondContact O-CB 3.33Å; Q319-M323 PolarHBondContact O-N 3.13Å; S320-M323 PolarHBondContact O-N 3.39Å
324Y93.5Very high96.1Very high44 Ų4442.9 Ų42.917%0.17321%0.213CC..Hα-helixtrans-104.1-15.1-169.9-56.7-63000113.8K286 M288 K289 T292 S320K286-Y324 HydrophobicContact CB-CE1 3.93Å; K286-Y324 WeakPolarHBondContact CG-OH 3.25Å; M288-Y324 HydrophobicContact CB-CD1 4.43Å; M288-Y324 HydrophobicContact CB-CG 4.4Å; M288-Y324 HydrophobicContact CE-CD1 4.33Å; M288-Y324 HydrophobicContact CE-CD2 3.13Å; M288-Y324 HydrophobicContact CE-CE2 3.97Å; M288-Y324 HydrophobicContact CE-CG 3.34Å; M288-Y324 HydrophobicContact CG-CG 4.46Å; K289-Y324 HydrophobicContact CB-CD1 4.1Å; T292-Y324 PolarHBondContact OG1-O 2.83Å; S320-Y324 WeakPolarHBondContact O-CB 3.43Å; S320-Y324 WeakPolarHBondContact O-CD2 3.31Å; S320-Y324 PolarHBondContact O-N 3.15Å; S320-Y324 WeakPolarHBondContact OG-CD2 3.32Å
325N91.9Very high95.8Very high93 Ų9346 Ų4650%0.49723%0.226SC..  trans51.746.6-179.1-16362.4000115L321L321-N325 WeakPolarHBondContact O-CA 3.05Å; L321-N325 PolarHBondContact O-N 2.87Å
326P95.9Very high95.6Very high5 Ų544 Ų443%0.03222%0.215CC..  trans-68.8165.5162.532.7-32.4000110V301 L321 I329V301-P326 HydrophobicContact CB-CB 4.18Å; V301-P326 HydrophobicContact CG1-CB 3.97Å; L321-P326 HydrophobicContact CD1-CG 4.2Å; L321-P326 WeakPolarHBondContact CD1-O 3.16Å; P326-I329 HydrophobicContact CB-CD1 4.38Å; P326-I329 HydrophobicContact CG-CD1 3.35Å; P326-I329 HydrophobicContact CG-CG1 4.08Å
327N96.1Very high95.3Very high55 Ų5544.2 Ų44.229%0.29421%0.214SC..SBendtrans-76.1-38177.6-58.583.2000111.6Y300 V301 F345Y300-N327 WeakPolarHBondContact CA-OD1 3.17Å; Y300-N327 HydrophobicContact CD1-CB 4.18Å; Y300-N327 HydrophobicContact CD2-CB 3.6Å; Y300-N327 VanDerWaalsContact CD2-CG 3.41Å; Y300-N327 HydrophobicContact CE1-CB 3.92Å; Y300-N327 HydrophobicContact CE2-CB 3.3Å; Y300-N327 HydrophobicContact CG-CB 4.04Å; Y300-N327 VanDerWaalsContact CZ-CB 3.49Å; V301-N327 PolarHBondContact N-OD1 3.08Å; V301-N327 PolarHBondContact O-N 3.49Å; N327-F345 VanDerWaalsContact O-CB 3.24Å; N327-F345 WeakPolarHBondContact O-CB 3.33Å
328V98Very high94.9Very high0 Ų046.2 Ų46.20%023%0.227CC..EExtended strand (participates in β ladder)trans-141136.4179-173.80000110.6Y300 V301 I302 S303 L343 F345 L385 L388Y300-V328 HydrophobicContact CE1-CG2 4.1Å; Y300-V328 WeakPolarHBondContact OH-CG2 3.46Å; V301-V328 PolarHBondContact O-N 3.38Å; I302-V328 WeakPolarHBondContact CA-O 3.28Å; S303-V328 PolarHBondContact N-O 2.91Å; V328-L343 HydrophobicContact CG1-CB 4.28Å; V328-L343 HydrophobicContact CG1-CD2 4.3Å; V328-F345 HydrophobicContact CB-CB 4.46Å; V328-F345 HydrophobicContact CG1-CB 4.47Å; V328-F345 HydrophobicContact CG2-CB 4.05Å; V328-L385 HydrophobicContact CB-CD2 4.32Å; V328-L385 HydrophobicContact CG1-CD2 3.86Å; V328-L385 HydrophobicContact CG2-CD2 4.47Å; V328-L388 HydrophobicContact CG2-CD1 4Å
329I98.5Very high94.6Very high0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-101.7123162.2-58.5-61.8000108.9S303 K305 A317 L321 P326 L343 V344S303-I329 CarbonylContact O-C 3.6Å; S303-I329 WeakPolarHBondContact O-CA 3.31Å; K305-I329 HydrophobicContact CB-CG2 3.85Å; A317-I329 HydrophobicContact CB-CG2 3.87Å; L321-I329 HydrophobicContact CB-CG1 4.07Å; L321-I329 HydrophobicContact CD1-CG1 4.3Å; P326-I329 HydrophobicContact CB-CD1 4.38Å; P326-I329 HydrophobicContact CG-CD1 3.35Å; P326-I329 HydrophobicContact CG-CG1 4.08Å; I329-L343 WeakPolarHBondContact O-CA 3.4Å; I329-V344 HydrophobicContact CB-CB 4.25Å; I329-V344 PolarHBondContact N-O 2.94Å; I329-V344 PolarHBondContact O-N 2.71Å
330V98.5Very high94.5Very high0 Ų043.9 Ų43.90%022%0.216CC..EExtended strand (participates in β ladder)trans-90.9104.9167.6-173.50000108I302 S303 F304 K305 V341 L343 L381 L385I302-V330 HydrophobicContact CG2-CG2 3.72Å; S303-V330 PolarHBondContact O-N 3.49Å; F304-V330 CarbonylContact C-O 3.53Å; F304-V330 WeakPolarHBondContact CA-O 3.44Å; F304-V330 HydrophobicContact CD1-CB 3.76Å; F304-V330 HydrophobicContact CD1-CG1 3.99Å; F304-V330 HydrophobicContact CE1-CB 3.49Å; F304-V330 VanDerWaalsContact CE1-CB 3.49Å; F304-V330 HydrophobicContact CE1-CG1 3.49Å; F304-V330 VanDerWaalsContact CE1-CG1 3.49Å; F304-V330 HydrophobicContact CE1-CG2 4.01Å; F304-V330 HydrophobicContact CE2-CB 4.47Å; F304-V330 HydrophobicContact CE2-CG2 4.38Å; F304-V330 HydrophobicContact CG-CB 4.34Å; F304-V330 HydrophobicContact CZ-CB 3.84Å; F304-V330 HydrophobicContact CZ-CG1 4.13Å; F304-V330 HydrophobicContact CZ-CG2 3.83Å; K305-V330 PolarHBondContact N-O 3.22Å; V330-V341 HydrophobicContact CG1-CB 4.14Å; V330-V341 HydrophobicContact CG1-CG1 4.13Å; V330-L343 HydrophobicContact CB-CD2 4.39Å; V330-L343 HydrophobicContact CG1-CD2 4.24Å; V330-L343 HydrophobicContact CG2-CD2 3.89Å; V330-L381 HydrophobicContact CG1-CD1 4.2Å; V330-L381 HydrophobicContact CG1-CD2 4.22Å; V330-L381 HydrophobicContact CG2-CD1 4.33Å; V330-L385 HydrophobicContact CG2-CD1 4.24Å; V330-L385 HydrophobicContact CG2-CD2 4.19Å
331A98.3Very high94.6Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-96.8133.1-179.400000111.1K305 L313 A317 V341 W342K305-A331 CarbonylContact O-C 3.4Å; K305-A331 VanDerWaalsContact O-CA 3.28Å; K305-A331 WeakPolarHBondContact O-CA 3.42Å; L313-A331 HydrophobicContact CD1-CB 3.79Å; L313-A331 HydrophobicContact CD2-CB 4.32Å; L313-A331 HydrophobicContact CG-CB 3.98Å; A317-A331 HydrophobicContact CB-CB 4Å; A331-V341 CarbonylContact O-C 3.3Å; A331-V341 WeakPolarHBondContact O-CA 3.29Å; A331-W342 HydrophobicContact CB-CB 4.17Å; A331-W342 WeakPolarHBondContact CB-O 3.45Å; A331-W342 PolarHBondContact N-O 2.79Å; A331-W342 PolarHBondContact O-N 2.85Å
332N95.7Very high94.7Very high2 Ų244 Ų441%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-140.8150.1179.8-72100.2000111.8R73 K305 L306 E307 L313 R337 E340 V341R73-N332 PolarHBondContact NH1-OD1 3.14Å; K305-N332 PolarHBondContact O-N 2.88Å; L306-N332 WeakPolarHBondContact CA-O 3.41Å; L306-N332 HydrophobicContact CD1-CB 3.85Å; E307-N332 PolarHBondContact N-O 3.08Å; L313-N332 WeakPolarHBondContact CD1-O 3.37Å; N332-R337 HydrophobicContact CB-CB 4.04Å; N332-R337 PolarHBondContact ND2-O 3.49Å; N332-E340 PolarHBondContact ND2-O 3.1Å; N332-V341 WeakPolarHBondContact ND2-CG1 3.45Å
333L96.1Very high94.9Very high18 Ų1838.2 Ų38.29%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-85.8140.7161-72.9178000110.8E307 H310 L313 Q335 T336 R337E307-L333 CarbonylContact O-C 3.58Å; E307-L333 VanDerWaalsContact O-CA 3.32Å; E307-L333 WeakPolarHBondContact O-CA 3.23Å; H310-L333 HydrophobicContact CB-CD1 4.12Å; H310-L333 HydrophobicContact CB-CD2 4.43Å; L313-L333 HydrophobicContact CD2-CD2 4.35Å; L313-L333 HydrophobicContact CD2-CG 4.14Å; L333-Q335 PolarHBondContact O-N 2.96Å; L333-T336 CarbonylContact O-C 3.6Å; L333-T336 PolarHBondContact O-N 2.96Å; L333-R337 WeakPolarHBondContact O-CA 3.17Å; L333-R337 VanDerWaalsContact O-CB 3.29Å; L333-R337 WeakPolarHBondContact O-CB 3.49Å; L333-R337 PolarHBondContact O-N 3.37Å
334L92.5Very high95.1Very high48 Ų4832.8 Ų32.825%0.25116%0.16SC..THydrogen-bonded Turntrans-52.9-41.1178.4179.463.4000112.3L306 E307 T308 R337L306-L334 HydrophobicContact CD2-CD1 3.98Å; E307-L334 PolarHBondContact O-N 2.73Å; T308-L334 HydrophobicContact CG2-CB 4.17Å; T308-L334 HydrophobicContact CG2-CD2 4Å; L334-R337 WeakPolarHBondContact O-CG 3.45Å
335Q90.8Very high95.3Very high118 Ų11831.2 Ų31.255%0.55115%0.154SC*.THydrogen-bonded Turntrans-73.6-30.6-174.8-55.684.4-7.300112.7L333L333-Q335 PolarHBondContact O-N 2.96Å
336T93Very high95.3Very high33 Ų3329.7 Ų29.720%0.20214%0.143CC..THydrogen-bonded Turntrans-118.410.5-174.764.30000113.4L333 S338 K339 E340L333-T336 CarbonylContact O-C 3.6Å; L333-T336 PolarHBondContact O-N 2.96Å; T336-S338 PolarHBondContact O-N 3.17Å; T336-K339 WeakPolarHBondContact O-CA 3.32Å; T336-K339 PolarHBondContact O-N 3.37Å; T336-E340 WeakPolarHBondContact CB-OE1 3.44Å; T336-E340 WeakPolarHBondContact CG2-OE1 3.21Å; T336-E340 PolarHBondContact O-N 3.09Å; T336-E340 WeakPolarHBondContact OG1-CG 3.38Å; T336-E340 PolarHBondContact OG1-OE1 3.01Å
337R90.9Very high94.6Very high68 Ų6834.9 Ų34.926%0.25717%0.167SC..THydrogen-bonded Turntrans-53.7-27.4-175.563.3-175.3172.7171.6-3115.3R73 L306 N332 L333 L334R73-R337 PolarHBondContact NH2-O 2.67Å; L306-R337 HydrophobicContact CD1-CB 4.27Å; N332-R337 HydrophobicContact CB-CB 4.04Å; N332-R337 PolarHBondContact ND2-O 3.49Å; L333-R337 WeakPolarHBondContact O-CA 3.17Å; L333-R337 VanDerWaalsContact O-CB 3.29Å; L333-R337 WeakPolarHBondContact O-CB 3.49Å; L333-R337 PolarHBondContact O-N 3.37Å; L334-R337 WeakPolarHBondContact O-CG 3.45Å
338S89.1Confident93.5Very high41 Ų4135.3 Ų35.329%0.28717%0.169SC..THydrogen-bonded Turntrans-89.5-4.7177.968.20000113.9T336T336-S338 PolarHBondContact O-N 3.17Å
339K92Very high92Very high108 Ų10843.4 Ų43.447%0.4721%0.212SC..THydrogen-bonded Turntrans-117.2-35.6-174.1-60.6-171.5177-169.80112.5T336 N359 M360T336-K339 WeakPolarHBondContact O-CA 3.32Å; T336-K339 PolarHBondContact O-N 3.37Å; K339-N359 PolarHBondContact O-OD1 3.48Å; K339-M360 WeakPolarHBondContact O-CG 3.43Å; K339-M360 PolarHBondContact O-N 3.18Å
340E94.8Very high90.8Very high33 Ų3346 Ų4615%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-147.4151.1-176.766.8-176.1148.200112.3N332 T336 W342 H357 I358 N359N332-E340 PolarHBondContact ND2-O 3.1Å; T336-E340 WeakPolarHBondContact CB-OE1 3.44Å; T336-E340 WeakPolarHBondContact CG2-OE1 3.21Å; T336-E340 PolarHBondContact O-N 3.09Å; T336-E340 WeakPolarHBondContact OG1-CG 3.38Å; T336-E340 PolarHBondContact OG1-OE1 3.01Å; E340-W342 HydrophobicContact CG-CH2 3.87Å; E340-W342 HydrophobicContact CG-CZ3 3.95Å; E340-W342 WeakPolarHBondContact OE2-CH2 3.37Å; E340-W342 WeakPolarHBondContact OE2-CZ2 3.41Å; E340-H357 IonicContact OE2-CD2 3.87Å; E340-H357 IonicContact OE2-CE1 3.26Å; E340-H357 PolarHBondContact OE2-CE1 3.4Å; E340-H357 IonicContact OE2-NE2 2.66Å; E340-H357 PolarHBondContact OE2-NE2 2.92Å; E340-I358 CarbonylContact C-O 3.46Å; E340-I358 WeakPolarHBondContact CA-O 3.42Å; E340-N359 HydrophobicContact CB-CB 4.25Å
341V97.2Very high89.8Confident0 Ų053.3 Ų53.30%026%0.262CS..EExtended strand (participates in β ladder)trans-139.8153.7177.6-57.60000108.9V330 A331 N332 H357 I358 I377 L381V330-V341 HydrophobicContact CG1-CB 4.14Å; V330-V341 HydrophobicContact CG1-CG1 4.13Å; A331-V341 CarbonylContact O-C 3.3Å; A331-V341 WeakPolarHBondContact O-CA 3.29Å; N332-V341 WeakPolarHBondContact ND2-CG1 3.45Å; V341-H357 PolarHBondContact O-CD2 3.02Å; V341-I358 HydrophobicContact CG2-CB 3.59Å; V341-I358 HydrophobicContact CG2-CD1 4.08Å; V341-I358 HydrophobicContact CG2-CG1 4.21Å; V341-I358 HydrophobicContact CG2-CG2 4.26Å; V341-I358 PolarHBondContact N-O 3.02Å; V341-I358 PolarHBondContact O-N 3.43Å; V341-I377 HydrophobicContact CG1-CG1 3.92Å; V341-L381 HydrophobicContact CG1-CD2 4.25Å; V341-L381 HydrophobicContact CG2-CD1 4.2Å
342W98.2Very high89.4Confident23 Ų2358.9 Ų58.99%0.08729%0.292CS..EExtended strand (participates in β ladder)trans-114.7124.8166.1-67.2-96.5000109.3L313 L314 A331 E340 V355 E356 H357L313-W342 HydrophobicContact CD2-CD2 4.21Å; L313-W342 HydrophobicContact CD2-CE3 3.49Å; L313-W342 VanDerWaalsContact CD2-CE3 3.49Å; L313-W342 HydrophobicContact CD2-CZ3 3.68Å; L314-W342 HydrophobicContact CD2-CB 3.93Å; L314-W342 HydrophobicContact CD2-CG 4.06Å; A331-W342 HydrophobicContact CB-CB 4.17Å; A331-W342 WeakPolarHBondContact CB-O 3.45Å; A331-W342 PolarHBondContact N-O 2.79Å; A331-W342 PolarHBondContact O-N 2.85Å; E340-W342 HydrophobicContact CG-CH2 3.87Å; E340-W342 HydrophobicContact CG-CZ3 3.95Å; E340-W342 WeakPolarHBondContact OE2-CH2 3.37Å; E340-W342 WeakPolarHBondContact OE2-CZ2 3.41Å; W342-V355 HydrophobicContact CB-CG1 4.38Å; W342-E356 CarbonylContact C-O 3.57Å; W342-E356 VanDerWaalsContact CA-O 3.26Å; W342-E356 WeakPolarHBondContact CA-O 2.98Å; W342-H357 AromaticContact CD1-CD2 3.86Å; W342-H357 AromaticContact CD2-CD2 3.92Å; W342-H357 AromaticContact CE2-CD2 3.4Å; W342-H357 VanDerWaalsContact CE2-CD2 3.4Å; W342-H357 AromaticContact CE2-NE2 3.74Å; W342-H357 AromaticContact CZ2-CD2 3.74Å; W342-H357 AromaticContact CZ2-NE2 3.54Å; W342-H357 AromaticContact NE1-CD2 3.36Å; W342-H357 PolarHBondContact NE1-CD2 3.4Å; W342-H357 AromaticContact NE1-CG 3.6Å; W342-H357 AromaticContact NE1-NE2 3.99Å
343L98.4Very high89.4Confident0 Ų060.8 Ų60.80%030%0.302CS..EExtended strand (participates in β ladder)trans-89.7123.5170.8-53.4-173.1000108.7V328 I329 V330 F345 V355 E356 I358 L381 R384 L385 L388V328-L343 HydrophobicContact CG1-CB 4.28Å; V328-L343 HydrophobicContact CG1-CD2 4.3Å; I329-L343 WeakPolarHBondContact O-CA 3.4Å; V330-L343 HydrophobicContact CB-CD2 4.39Å; V330-L343 HydrophobicContact CG1-CD2 4.24Å; V330-L343 HydrophobicContact CG2-CD2 3.89Å; L343-F345 HydrophobicContact CB-CD1 4.02Å; L343-F345 HydrophobicContact CB-CE1 4.08Å; L343-V355 CarbonylContact O-C 3.51Å; L343-V355 VanDerWaalsContact O-CA 3.31Å; L343-V355 WeakPolarHBondContact O-CA 3.44Å; L343-E356 HydrophobicContact CB-CB 4.28Å; L343-E356 PolarHBondContact N-O 2.62Å; L343-E356 PolarHBondContact O-N 2.67Å; L343-I358 HydrophobicContact CD1-CD1 3.69Å; L343-I358 HydrophobicContact CG-CD1 3.98Å; L343-L381 HydrophobicContact CD2-CD1 3.7Å; L343-R384 HydrophobicContact CD1-CG 3.7Å; L343-L385 HydrophobicContact CD1-CD2 4.38Å; L343-L385 HydrophobicContact CD2-CD2 4.17Å; L343-L388 HydrophobicContact CD1-CD1 4.13Å
344V98.2Very high89.4Confident0 Ų061.7 Ų61.70%031%0.308CS..EExtended strand (participates in β ladder)trans-117.9114.6177.7-172.30000108.2L314 A317 K318 L321 I329 I353 T354 V355L314-V344 HydrophobicContact CD2-CG2 4.04Å; A317-V344 HydrophobicContact CB-CB 4.36Å; A317-V344 HydrophobicContact CB-CG2 3.89Å; K318-V344 HydrophobicContact CG-CG1 3.92Å; L321-V344 HydrophobicContact CD2-CG1 4.12Å; I329-V344 HydrophobicContact CB-CB 4.25Å; I329-V344 PolarHBondContact N-O 2.94Å; I329-V344 PolarHBondContact O-N 2.71Å; V344-I353 HydrophobicContact CG1-CG2 3.42Å; V344-I353 VanDerWaalsContact CG1-CG2 3.42Å; V344-T354 WeakPolarHBondContact CA-O 3.13Å; V344-V355 HydrophobicContact CG1-CG2 4.32Å; V344-V355 HydrophobicContact CG2-CG1 4.4Å; V344-V355 HydrophobicContact CG2-CG2 4.25Å
345F96.8Very high89.6Confident10 Ų1061.9 Ų61.94%0.04431%0.311CS..EExtended strand (participates in β ladder)trans-152161.3-17459.7-84.1000110.8N327 V328 L343 T354 E356 L388N327-F345 VanDerWaalsContact O-CB 3.24Å; N327-F345 WeakPolarHBondContact O-CB 3.33Å; V328-F345 HydrophobicContact CB-CB 4.46Å; V328-F345 HydrophobicContact CG1-CB 4.47Å; V328-F345 HydrophobicContact CG2-CB 4.05Å; L343-F345 HydrophobicContact CB-CD1 4.02Å; L343-F345 HydrophobicContact CB-CE1 4.08Å; F345-T354 HydrophobicContact CE1-CG2 4.1Å; F345-T354 HydrophobicContact CE2-CG2 4.11Å; F345-T354 HydrophobicContact CZ-CG2 3.68Å; F345-T354 PolarHBondContact N-O 2.88Å; F345-T354 VanDerWaalsContact N-O 3.08Å; F345-T354 PolarHBondContact O-N 3.28Å; F345-E356 HydrophobicContact CE1-CB 4.21Å; F345-L388 HydrophobicContact CD1-CD1 4.24Å; F345-L388 HydrophobicContact CD2-CD2 4.34Å; F345-L388 HydrophobicContact CE1-CD1 4.15Å; F345-L388 HydrophobicContact CE2-CD2 3.83Å; F345-L388 HydrophobicContact CZ-CD1 4.37Å; F345-L388 HydrophobicContact CZ-CD2 3.94Å
346K91.5Very high89.9Confident61 Ų6158.8 Ų58.827%0.26530%0.297SS..EExtended strand (participates in β ladder)trans-90.8133.8171-67.1-173177-1750109.3L321 I353L321-K346 HydrophobicContact CD2-CG 4.15Å; K346-I353 HydrophobicContact CG-CG1 4.39Å
347Q82.7Confident90Very high115 Ų11561.2 Ų61.254%0.53731%0.306SS..PPolyproline II helixtrans-75.6141.4172.1-127.81736.400109.8N349 T350Q347-N349 PolarHBondContact O-N 3.27Å; Q347-T350 WeakPolarHBondContact CB-OG1 3.36Å; Q347-T350 PolarHBondContact O-N 2.9Å; Q347-T350 PolarHBondContact O-OG1 3.3Å
348N71.9Confident90.2Very high63 Ų6358.3 Ų58.334%0.33730%0.295SS..THydrogen-bonded Turntrans-55.7135.5-175.9-58.7-15.6000110.8T350 Q395N348-T350 VanDerWaalsContact C-N 3.26Å; N348-T350 PolarHBondContact O-N 3.41Å; N348-Q395 PolarHBondContact ND2-NE2 3.47Å; N348-Q395 VanDerWaalsContact ND2-NE2 3.15Å; N348-Q395 PolarHBondContact ND2-OE1 3.43Å
349N67.9Low90.4Very high171 Ų17157.4 Ų57.491%0.91429%0.287SS*.THydrogen-bonded Turntrans68.44-174.3-58-23.6000117.1Q347Q347-N349 PolarHBondContact O-N 3.27Å
350T72.6Confident90.1Very high53 Ų5354 Ų5433%0.32527%0.273SS..  trans-117.2145.5174.866.80000110.6Q347 N348Q347-T350 WeakPolarHBondContact CB-OG1 3.36Å; Q347-T350 PolarHBondContact O-N 2.9Å; Q347-T350 PolarHBondContact O-OG1 3.3Å; N348-T350 VanDerWaalsContact C-N 3.26Å; N348-T350 PolarHBondContact O-N 3.41Å
351Q77.9Confident89.4Confident154 Ų15458.3 Ų58.372%0.7229%0.293SS*.  trans-79.6-5.6166.2-72.5-67.1-20.400111.7
352D89.7Confident87.9Confident118 Ų11864.1 Ų64.163%0.63132%0.324SS*.PPolyproline II helixtrans-73.3133.4-175-63.2-34000111.2
353I94.1Very high86Confident41 Ų4166.8 Ų66.821%0.2134%0.34CS..EExtended strand (participates in β ladder)trans-87116.3176.6-59174000108.7K318 L321 E322 V344 K346K318-I353 HydrophobicContact CB-CD1 4.12Å; K318-I353 HydrophobicContact CD-CD1 4.49Å; K318-I353 HydrophobicContact CG-CD1 4.1Å; K318-I353 HydrophobicContact CG-CG2 4.12Å; L321-I353 HydrophobicContact CD2-CD1 4.29Å; L321-I353 HydrophobicContact CD2-CG1 4.1Å; L321-I353 HydrophobicContact CD2-CG2 3.88Å; E322-I353 HydrophobicContact CG-CD1 4.29Å; V344-I353 HydrophobicContact CG1-CG2 3.42Å; V344-I353 VanDerWaalsContact CG1-CG2 3.42Å; K346-I353 HydrophobicContact CG-CG1 4.39Å
354T96.1Very high83.8Confident37 Ų3769.9 Ų69.923%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-84.2137.2171.1-59.10000109.8V344 F345V344-T354 WeakPolarHBondContact CA-O 3.13Å; F345-T354 HydrophobicContact CE1-CG2 4.1Å; F345-T354 HydrophobicContact CE2-CG2 4.11Å; F345-T354 HydrophobicContact CZ-CG2 3.68Å; F345-T354 PolarHBondContact N-O 2.88Å; F345-T354 VanDerWaalsContact N-O 3.08Å; F345-T354 PolarHBondContact O-N 3.28Å
355V97.2Very high81.4Confident53 Ų5375.3 Ų75.332%0.32139%0.389SS..EExtended strand (participates in β ladder)trans-121120.3171.1-178.10000108.2L314 W342 L343 V344L314-V355 HydrophobicContact CD1-CG1 4.31Å; L314-V355 HydrophobicContact CD2-CG1 3.85Å; W342-V355 HydrophobicContact CB-CG1 4.38Å; L343-V355 CarbonylContact O-C 3.51Å; L343-V355 VanDerWaalsContact O-CA 3.31Å; L343-V355 WeakPolarHBondContact O-CA 3.44Å; V344-V355 HydrophobicContact CG1-CG2 4.32Å; V344-V355 HydrophobicContact CG2-CG1 4.4Å; V344-V355 HydrophobicContact CG2-CG2 4.25Å
356E96.9Very high79.1Confident52 Ų5282 Ų8224%0.24342%0.42CS..EExtended strand (participates in β ladder)trans-115.5129.4177.5-178.5-179.5151.400109.4W342 L343 F345 R384W342-E356 CarbonylContact C-O 3.57Å; W342-E356 VanDerWaalsContact CA-O 3.26Å; W342-E356 WeakPolarHBondContact CA-O 2.98Å; L343-E356 HydrophobicContact CB-CB 4.28Å; L343-E356 PolarHBondContact N-O 2.62Å; L343-E356 PolarHBondContact O-N 2.67Å; F345-E356 HydrophobicContact CE1-CB 4.21Å; E356-R384 VanDerWaalsContact CD-NE 3.32Å; E356-R384 WeakPolarHBondContact OE1-CD 3.34Å; E356-R384 IonicContact OE1-CZ 2.69Å; E356-R384 IonicContact OE1-NE 3.34Å; E356-R384 PolarHBondContact OE1-NE 2.68Å; E356-R384 IonicContact OE1-NH2 3.84Å; E356-R384 IonicContact OE2-CZ 3.53Å; E356-R384 VanDerWaalsContact OE2-CZ 3.26Å; E356-R384 IonicContact OE2-NE 2.82Å; E356-R384 PolarHBondContact OE2-NE 3.4Å; E356-R384 IonicContact OE2-NH2 3.35Å; E356-R384 PolarHBondContact OE2-NH2 2.87Å
357H96.8Very high77Confident84 Ų8486.3 Ų86.339%0.38944%0.444SS..EExtended strand (participates in β ladder)trans-100.3124.5177.8179.6-146.3000109.7E340 V341 W342E340-H357 IonicContact OE2-CD2 3.87Å; E340-H357 IonicContact OE2-CE1 3.26Å; E340-H357 PolarHBondContact OE2-CE1 3.4Å; E340-H357 IonicContact OE2-NE2 2.66Å; E340-H357 PolarHBondContact OE2-NE2 2.92Å; V341-H357 PolarHBondContact O-CD2 3.02Å; W342-H357 AromaticContact CD1-CD2 3.86Å; W342-H357 AromaticContact CD2-CD2 3.92Å; W342-H357 AromaticContact CE2-CD2 3.4Å; W342-H357 VanDerWaalsContact CE2-CD2 3.4Å; W342-H357 AromaticContact CE2-NE2 3.74Å; W342-H357 AromaticContact CZ2-CD2 3.74Å; W342-H357 AromaticContact CZ2-NE2 3.54Å; W342-H357 AromaticContact NE1-CD2 3.36Å; W342-H357 PolarHBondContact NE1-CD2 3.4Å; W342-H357 AromaticContact NE1-CG 3.6Å; W342-H357 AromaticContact NE1-NE2 3.99Å
358I95.1Very high75.2Confident8 Ų884 Ų844%0.04144%0.436CS..EExtended strand (participates in β ladder)trans-113.5125.6174.3-57.7172000107.3E340 V341 L343 I377 I380 R384E340-I358 CarbonylContact C-O 3.46Å; E340-I358 WeakPolarHBondContact CA-O 3.42Å; V341-I358 HydrophobicContact CG2-CB 3.59Å; V341-I358 HydrophobicContact CG2-CD1 4.08Å; V341-I358 HydrophobicContact CG2-CG1 4.21Å; V341-I358 HydrophobicContact CG2-CG2 4.26Å; V341-I358 PolarHBondContact N-O 3.02Å; V341-I358 PolarHBondContact O-N 3.43Å; L343-I358 HydrophobicContact CD1-CD1 3.69Å; L343-I358 HydrophobicContact CG-CD1 3.98Å; I358-I377 HydrophobicContact CG2-CD1 3.95Å; I358-I380 HydrophobicContact CG2-CB 4.02Å; I358-I380 HydrophobicContact CG2-CG2 3.43Å; I358-I380 VanDerWaalsContact CG2-CG2 3.43Å; I358-R384 HydrophobicContact CD1-CB 4.11Å; I358-R384 HydrophobicContact CD1-CG 4Å
359N92.1Very high73.8Confident22 Ų2287.2 Ų87.212%0.11845%0.447CS..EExtended strand (participates in β ladder)trans-129.8138.2177.8-174.8-21.8000109.4K339 E340 E361 N362 N363K339-N359 PolarHBondContact O-OD1 3.48Å; E340-N359 HydrophobicContact CB-CB 4.25Å; N359-E361 VanDerWaalsContact C-N 3.31Å; N359-E361 PolarHBondContact O-N 2.8Å; N359-E361 PolarHBondContact OD1-N 2.86Å; N359-N362 HydrophobicContact CB-CB 4.35Å; N359-N363 PolarHBondContact O-ND2 3.23Å
360M86.4Confident72.5Confident35 Ų3587.9 Ų87.917%0.17245%0.445CS..THydrogen-bonded Turntrans-58.7-38.6172.5-74.9-67-72.800112.8K339 I377 I380K339-M360 WeakPolarHBondContact O-CG 3.43Å; K339-M360 PolarHBondContact O-N 3.18Å; M360-I377 HydrophobicContact CG-CB 4.21Å; M360-I377 HydrophobicContact CG-CD1 3.89Å; M360-I377 VanDerWaalsContact SD-CA 3.55Å; M360-I377 HydrophobicContact SD-CB 4.27Å; M360-I377 HydrophobicContact SD-CD1 4.2Å; M360-I380 HydrophobicContact SD-CD1 3.65Å
361E79.1Confident70.9Confident124 Ų12492.6 Ų92.658%0.57946%0.463SS*.THydrogen-bonded Turntrans-76.1-29.4-174.4-64.4177.1-175.700112.8N359 T364N359-E361 VanDerWaalsContact C-N 3.31Å; N359-E361 PolarHBondContact O-N 2.8Å; N359-E361 PolarHBondContact OD1-N 2.86Å; E361-T364 PolarHBondContact O-OG1 2.98Å
362N66.3Low69Low122 Ų12288.4 Ų88.465%0.65245%0.445SS*.THydrogen-bonded Turntrans-85.1-13.9-179-69.3-13.9000113.5N359N359-N362 HydrophobicContact CB-CB 4.35Å
363N58.7Low67Low79 Ų7990.6 Ų90.642%0.42245%0.454SS..THydrogen-bonded Turntrans-94.53.4-179.2-82.1-60.4000113.8N359 D365 I380N359-N363 PolarHBondContact O-ND2 3.23Å; N363-D365 PolarHBondContact O-N 3.48Å; N363-D365 VanDerWaalsContact O-N 3.17Å; N363-I380 HydrophobicContact CB-CD1 3.84Å
364T51.3Low65.4Low66 Ų6690.1 Ų90.141%0.40546%0.455SS..  trans-84.577.7171.147.30000110.7E361 E366 I372E361-T364 PolarHBondContact O-OG1 2.98Å; T364-E366 PolarHBondContact O-N 3.29Å; T364-I372 HydrophobicContact CG2-CD1 3.88Å
365D48.7Very low64.6Low114 Ų11497.1 Ų97.161%0.6149%0.485SS*.  trans-56.7131.8153.2-78.5-33.6000107.6N363 I367 N368N363-D365 PolarHBondContact O-N 3.48Å; N363-D365 VanDerWaalsContact O-N 3.17Å; D365-I367 PolarHBondContact O-N 3.37Å; D365-N368 PolarHBondContact O-N 2.9Å
366E48.9Very low64.2Low151 Ų15196.6 Ų96.671%0.70648%0.479SS*.G310 helixtrans-52.2-24.6-178.4-74.7-114.212400113.1T364 K369T364-E366 PolarHBondContact O-N 3.29Å; E366-K369 IonicContact OE1-NZ 2.81Å; E366-K369 PolarHBondContact OE1-NZ 3.18Å
367I46.7Very low64Low150 Ų15094.2 Ų94.277%0.76947%0.468SS*.G310 helixtrans-74.1-25.9180-61.2171.7000112.2D365D365-I367 PolarHBondContact O-N 3.37Å
368N44Very low64Low68 Ų6890.8 Ų90.836%0.36445%0.452SS..G310 helixtrans-101.35.9-176.1-75.5-21.4000114.6D365 Q370 Q371 I372D365-N368 PolarHBondContact O-N 2.9Å; N368-Q370 PolarHBondContact O-N 3.04Å; N368-Q371 PolarHBondContact O-N 2.97Å; N368-I372 PolarHBondContact O-N 3.29Å
369K44.3Very low63.9Low129 Ų12991.7 Ų91.756%0.56146%0.459SS*.THydrogen-bonded Turntrans-55.3-21.6174.6-78.5179.6175.1171.60113.7E366E366-K369 IonicContact OE1-NZ 2.81Å; E366-K369 PolarHBondContact OE1-NZ 3.18Å
370Q39.2Very low64.1Low186 Ų18692.6 Ų92.687%0.86946%0.464SS*.THydrogen-bonded Turntrans-91.5-13.1178.7-71.2165-7.500114.1N368N368-Q370 PolarHBondContact O-N 3.04Å
371Q39.8Very low64.6Low151 Ų15191 Ų9171%0.70646%0.456SS*.THydrogen-bonded Turntrans-116.2-9.4-176-86.4-173.7-9.400115.1N368 I373N368-Q371 PolarHBondContact O-N 2.97Å; Q371-I373 PolarHBondContact O-N 2.98Å
372I38.6Very low65.5Low67 Ų6785 Ų8534%0.34443%0.428SS..  trans-74.780.2167.7-57.1170.8000107.7T364 N368 S374T364-I372 HydrophobicContact CG2-CD1 3.88Å; N368-I372 PolarHBondContact O-N 3.29Å; I372-S374 VanDerWaalsContact CG2-O 3.32Å; I372-S374 WeakPolarHBondContact CG2-O 3.09Å; I372-S374 PolarHBondContact O-N 3.47Å
373I47.6Very low67Low163 Ų16382.3 Ų82.384%0.83642%0.417SS*.  trans-71.8-17.6-178.6-67.2167.7000111.1Q371Q371-I373 PolarHBondContact O-N 2.98Å
374S60.4Low68.8Low31 Ų3180.7 Ų80.722%0.21741%0.405CS..  trans-122.6123.7177.952.80000112.6Y80 I372 E376 S379Y80-S374 WeakPolarHBondContact OH-CB 3.36Å; Y80-S374 PolarHBondContact OH-OG 2.97Å; I372-S374 VanDerWaalsContact CG2-O 3.32Å; I372-S374 WeakPolarHBondContact CG2-O 3.09Å; I372-S374 PolarHBondContact O-N 3.47Å; S374-E376 PolarHBondContact O-N 3.15Å; S374-S379 WeakPolarHBondContact OG-CB 3.42Å
375Q77.6Confident71.1Confident184 Ų18477.6 Ų77.686%0.8639%0.386SS*.  trans-78.630.7176-64.1-177.7-7.200112.6
376E89.5Confident73.4Confident43 Ų4372.6 Ų72.620%0.20136%0.359CS..  trans-112.8131.8-170.2-62.2167.6169.800110L76 Y80 S374 E378 S379L76-E376 HydrophobicContact CD1-CB 4.25Å; L76-E376 VanDerWaalsContact CD1-CD 3.5Å; L76-E376 HydrophobicContact CD1-CG 3.91Å; L76-E376 VanDerWaalsContact CD2-CD 3.47Å; L76-E376 WeakPolarHBondContact CD2-OE1 3.47Å; L76-E376 WeakPolarHBondContact CD2-OE2 3.43Å; Y80-E376 PolarHBondContact OH-OE2 3.33Å; S374-E376 PolarHBondContact O-N 3.15Å; E376-E378 PolarHBondContact O-N 2.89Å; E376-E378 VanDerWaalsContact O-N 3.14Å; E376-S379 VanDerWaalsContact O-CB 3.28Å; E376-S379 WeakPolarHBondContact O-CB 3.43Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 PolarHBondContact O-OG 2.91Å
377I93.7Very high75.7Confident1 Ų169.9 Ų69.91%0.00535%0.346CS..THydrogen-bonded Turntrans-58.5-27.8177.1-174.563000112.3V341 I358 M360 S379 I380 L381V341-I377 HydrophobicContact CG1-CG1 3.92Å; I358-I377 HydrophobicContact CG2-CD1 3.95Å; M360-I377 HydrophobicContact CG-CB 4.21Å; M360-I377 HydrophobicContact CG-CD1 3.89Å; M360-I377 VanDerWaalsContact SD-CA 3.55Å; M360-I377 HydrophobicContact SD-CB 4.27Å; M360-I377 HydrophobicContact SD-CD1 4.2Å; I377-S379 PolarHBondContact O-N 3.27Å; I377-I380 PolarHBondContact O-N 2.91Å; I377-L381 WeakPolarHBondContact O-CB 3.5Å; I377-L381 PolarHBondContact O-N 3.1Å
378E95.9Very high78.1Confident12 Ų1263 Ų636%0.05631%0.311CS..Hα-helixtrans-58.2-27.8175.2-71.869.8-153.500113R73 L76 Y80 E376 I380 I382R73-E378 IonicContact CZ-OE1 2.77Å; R73-E378 IonicContact NE-OE1 3.6Å; R73-E378 PolarHBondContact NE-OE1 2.72Å; R73-E378 IonicContact NH2-OE1 3.22Å; R73-E378 PolarHBondContact NH2-OE1 3.14Å; L76-E378 HydrophobicContact CB-CB 4.19Å; L76-E378 HydrophobicContact CB-CG 3.95Å; Y80-E378 HydrophobicContact CD2-CB 3.8Å; Y80-E378 HydrophobicContact CE2-CB 3.66Å; E376-E378 PolarHBondContact O-N 2.89Å; E376-E378 VanDerWaalsContact O-N 3.14Å; E378-I380 PolarHBondContact O-N 3.31Å; E378-I382 HydrophobicContact CB-CG1 4.15Å; E378-I382 WeakPolarHBondContact O-CB 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.17Å; E378-I382 PolarHBondContact O-N 2.72Å
379S94.1Very high80.6Confident28 Ų2860.2 Ų60.220%0.19630%0.296CS..Hα-helixtrans-63.2-23.6175.469.60000114Y80 S374 E376 I377 P383Y80-S379 WeakPolarHBondContact OH-CB 3.41Å; S374-S379 WeakPolarHBondContact OG-CB 3.42Å; E376-S379 VanDerWaalsContact O-CB 3.28Å; E376-S379 WeakPolarHBondContact O-CB 3.43Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 PolarHBondContact O-OG 2.91Å; I377-S379 PolarHBondContact O-N 3.27Å; S379-P383 WeakPolarHBondContact O-CD 3.45Å; S379-P383 WeakPolarHBondContact O-CG 3.44Å
380I95.4Very high83.1Confident41 Ų4157.4 Ų57.421%0.2129%0.285CS..Hα-helixtrans-106.6-43.3178.2-53.1165.1000110I358 M360 N363 I377 E378 R384I358-I380 HydrophobicContact CG2-CB 4.02Å; I358-I380 HydrophobicContact CG2-CG2 3.43Å; I358-I380 VanDerWaalsContact CG2-CG2 3.43Å; M360-I380 HydrophobicContact SD-CD1 3.65Å; N363-I380 HydrophobicContact CB-CD1 3.84Å; I377-I380 PolarHBondContact O-N 2.91Å; E378-I380 PolarHBondContact O-N 3.31Å; I380-R384 PolarHBondContact O-N 3.28Å
381L96.6Very high85.7Confident0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-60.8-49-178.116961.3000112.2V330 V341 L343 I377 R384 L385V330-L381 HydrophobicContact CG1-CD1 4.2Å; V330-L381 HydrophobicContact CG1-CD2 4.22Å; V330-L381 HydrophobicContact CG2-CD1 4.33Å; V341-L381 HydrophobicContact CG1-CD2 4.25Å; V341-L381 HydrophobicContact CG2-CD1 4.2Å; L343-L381 HydrophobicContact CD2-CD1 3.7Å; I377-L381 WeakPolarHBondContact O-CB 3.5Å; I377-L381 PolarHBondContact O-N 3.1Å; L381-R384 PolarHBondContact O-N 3.09Å; L381-L385 HydrophobicContact CD1-CD1 3.61Å; L381-L385 HydrophobicContact CD1-CD2 4.39Å; L381-L385 HydrophobicContact CD1-CG 3.79Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.42Å; L381-L385 WeakPolarHBondContact O-CG 3.49Å; L381-L385 PolarHBondContact O-N 3.47Å
382I98Very high88.2Confident0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-69.1-46.4-172.4-57.3-59.2000112.1Y80 F81 Y227 E378 R384 L385 I386Y80-I382 HydrophobicContact CD2-CG1 4.38Å; Y80-I382 HydrophobicContact CG-CB 4.29Å; Y80-I382 HydrophobicContact CG-CG1 4.38Å; F81-I382 HydrophobicContact CD1-CG2 4.26Å; F81-I382 HydrophobicContact CD2-CG2 4.12Å; F81-I382 HydrophobicContact CE1-CG2 4.25Å; F81-I382 HydrophobicContact CE2-CD1 3.95Å; F81-I382 HydrophobicContact CE2-CG2 4.1Å; F81-I382 HydrophobicContact CG-CG2 4.19Å; F81-I382 HydrophobicContact CZ-CD1 4.46Å; F81-I382 HydrophobicContact CZ-CG2 4.16Å; Y227-I382 HydrophobicContact CE2-CD1 3.86Å; E378-I382 HydrophobicContact CB-CG1 4.15Å; E378-I382 WeakPolarHBondContact O-CB 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.17Å; E378-I382 PolarHBondContact O-N 2.72Å; I382-R384 PolarHBondContact O-N 2.98Å; I382-L385 HydrophobicContact CD1-CD1 4.23Å; I382-L385 PolarHBondContact O-N 2.74Å; I382-I386 HydrophobicContact CG2-CD1 3.79Å; I382-I386 HydrophobicContact CG2-CG1 4.29Å; I382-I386 VanDerWaalsContact O-CG1 3.31Å; I382-I386 WeakPolarHBondContact O-CG1 3.47Å; I382-I386 PolarHBondContact O-N 3.21Å
383P97.6Very high90.7Very high64 Ų6444.6 Ų44.642%0.41623%0.226SC..Hα-helixtrans-54.6-39.5172.4-29.137.7000113.1S379 I386 Q387S379-P383 WeakPolarHBondContact O-CD 3.45Å; S379-P383 WeakPolarHBondContact O-CG 3.44Å; P383-I386 PolarHBondContact O-N 2.77Å; P383-Q387 PolarHBondContact O-N 3.48Å
384R97.4Very high92.6Very high45 Ų4541.4 Ų41.417%0.1721%0.211CC..Hα-helixtrans-67.7-43.3178.2-176.457.4179.9129.88.6112.8L343 E356 I358 I380 L381 I382 I386 Q387 L388L343-R384 HydrophobicContact CD1-CG 3.7Å; E356-R384 VanDerWaalsContact CD-NE 3.32Å; E356-R384 WeakPolarHBondContact OE1-CD 3.34Å; E356-R384 IonicContact OE1-CZ 2.69Å; E356-R384 IonicContact OE1-NE 3.34Å; E356-R384 PolarHBondContact OE1-NE 2.68Å; E356-R384 IonicContact OE1-NH2 3.84Å; E356-R384 IonicContact OE2-CZ 3.53Å; E356-R384 VanDerWaalsContact OE2-CZ 3.26Å; E356-R384 IonicContact OE2-NE 2.82Å; E356-R384 PolarHBondContact OE2-NE 3.4Å; E356-R384 IonicContact OE2-NH2 3.35Å; E356-R384 PolarHBondContact OE2-NH2 2.87Å; I358-R384 HydrophobicContact CD1-CB 4.11Å; I358-R384 HydrophobicContact CD1-CG 4Å; I380-R384 PolarHBondContact O-N 3.28Å; L381-R384 PolarHBondContact O-N 3.09Å; I382-R384 PolarHBondContact O-N 2.98Å; R384-I386 VanDerWaalsContact C-N 3.3Å; R384-I386 PolarHBondContact O-N 3.13Å; R384-Q387 WeakPolarHBondContact O-CB 2.82Å; R384-Q387 PolarHBondContact O-N 3.31Å; R384-L388 PolarHBondContact O-N 3.41Å; R384-L388 VanDerWaalsContact O-N 3.09Å
385L98.4Very high93.5Very high1 Ų144.3 Ų44.31%0.00522%0.221CC..Hα-helixtrans-62.5-38.4175.2-71.4173.8000112Y227 I302 V328 V330 L343 L381 I382 L388 H389Y227-L385 HydrophobicContact CD2-CD1 4.27Å; Y227-L385 HydrophobicContact CE2-CD1 3.76Å; I302-L385 HydrophobicContact CD1-CB 4.25Å; I302-L385 HydrophobicContact CD1-CD1 4.29Å; I302-L385 HydrophobicContact CD1-CD2 4.41Å; I302-L385 HydrophobicContact CG1-CD2 4.4Å; I302-L385 HydrophobicContact CG2-CD1 4.08Å; I302-L385 HydrophobicContact CG2-CD2 4.15Å; V328-L385 HydrophobicContact CB-CD2 4.32Å; V328-L385 HydrophobicContact CG1-CD2 3.86Å; V328-L385 HydrophobicContact CG2-CD2 4.47Å; V330-L385 HydrophobicContact CG2-CD1 4.24Å; V330-L385 HydrophobicContact CG2-CD2 4.19Å; L343-L385 HydrophobicContact CD1-CD2 4.38Å; L343-L385 HydrophobicContact CD2-CD2 4.17Å; L381-L385 HydrophobicContact CD1-CD1 3.61Å; L381-L385 HydrophobicContact CD1-CD2 4.39Å; L381-L385 HydrophobicContact CD1-CG 3.79Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.42Å; L381-L385 WeakPolarHBondContact O-CG 3.49Å; L381-L385 PolarHBondContact O-N 3.47Å; I382-L385 HydrophobicContact CD1-CD1 4.23Å; I382-L385 PolarHBondContact O-N 2.74Å; L385-L388 PolarHBondContact O-N 2.95Å; L385-H389 PolarHBondContact O-N 3.17Å
386I98.5Very high93.2Very high10 Ų1041 Ų415%0.05121%0.214CC..Hα-helixtrans-63-44.8175.3-71.1171.5000110.6F81 S84 Y86 I382 P383 R384 L388 H389 E390F81-I386 HydrophobicContact CD1-CD1 3.89Å; F81-I386 HydrophobicContact CD1-CG1 3.94Å; F81-I386 HydrophobicContact CE1-CD1 4.06Å; F81-I386 HydrophobicContact CE1-CG1 3.62Å; S84-I386 WeakPolarHBondContact OG-CD1 3.41Å; Y86-I386 HydrophobicContact CD2-CD1 4.5Å; Y86-I386 HydrophobicContact CE2-CD1 4.02Å; Y86-I386 HydrophobicContact CE2-CG1 3.91Å; Y86-I386 HydrophobicContact CE2-CG2 4.08Å; I382-I386 HydrophobicContact CG2-CD1 3.79Å; I382-I386 HydrophobicContact CG2-CG1 4.29Å; I382-I386 VanDerWaalsContact O-CG1 3.31Å; I382-I386 WeakPolarHBondContact O-CG1 3.47Å; I382-I386 PolarHBondContact O-N 3.21Å; P383-I386 PolarHBondContact O-N 2.77Å; R384-I386 VanDerWaalsContact C-N 3.3Å; R384-I386 PolarHBondContact O-N 3.13Å; I386-L388 VanDerWaalsContact C-N 3.31Å; I386-L388 PolarHBondContact O-N 3.49Å; I386-H389 PolarHBondContact O-N 3.38Å; I386-E390 HydrophobicContact CG2-CG 4.26Å; I386-E390 WeakPolarHBondContact CG2-OE1 3.45Å; I386-E390 WeakPolarHBondContact O-CB 3.38Å; I386-E390 WeakPolarHBondContact O-CG 3.33Å; I386-E390 PolarHBondContact O-N 3.34Å
387Q97.5Very high92Very high93 Ų9344.9 Ų44.944%0.43523%0.234SC..Hα-helixtrans-58.3-43.6176.6-171.1-171.418.100111.8P383 R384 E390 Q391P383-Q387 PolarHBondContact O-N 3.48Å; R384-Q387 WeakPolarHBondContact O-CB 2.82Å; R384-Q387 PolarHBondContact O-N 3.31Å; Q387-E390 PolarHBondContact O-N 3.16Å; Q387-Q391 WeakPolarHBondContact O-CB 3.27Å; Q387-Q391 VanDerWaalsContact O-CG 3.24Å; Q387-Q391 WeakPolarHBondContact O-CG 3.38Å; Q387-Q391 PolarHBondContact O-N 3.44Å
388L96.4Very high90Very high7 Ų755.9 Ų55.94%0.03728%0.282CS..Hα-helixtrans-64.9-38.8177-69.3174.4000112.4Y300 V328 L343 F345 R384 L385 I386 T392Y300-L388 VanDerWaalsContact OH-CB 3.28Å; Y300-L388 WeakPolarHBondContact OH-CB 3.36Å; V328-L388 HydrophobicContact CG2-CD1 4Å; L343-L388 HydrophobicContact CD1-CD1 4.13Å; F345-L388 HydrophobicContact CD1-CD1 4.24Å; F345-L388 HydrophobicContact CD2-CD2 4.34Å; F345-L388 HydrophobicContact CE1-CD1 4.15Å; F345-L388 HydrophobicContact CE2-CD2 3.83Å; F345-L388 HydrophobicContact CZ-CD1 4.37Å; F345-L388 HydrophobicContact CZ-CD2 3.94Å; R384-L388 PolarHBondContact O-N 3.41Å; R384-L388 VanDerWaalsContact O-N 3.09Å; L385-L388 PolarHBondContact O-N 2.95Å; I386-L388 VanDerWaalsContact C-N 3.31Å; I386-L388 PolarHBondContact O-N 3.49Å; L388-T392 PolarHBondContact O-N 3.39Å; L388-T392 PolarHBondContact O-OG1 3.1Å
389H97Very high89.7Confident8 Ų858.1 Ų58.14%0.03729%0.294CS..Hα-helixtrans-65.4-45.7175.1-178.1-155.8000111.4Y86 Y300 L385 I386 Q391 T392 I393Y86-H389 AromaticContact CE1-CE1 3.96Å; Y86-H389 AromaticContact CE1-ND1 3.64Å; Y86-H389 AromaticContact CZ-ND1 3.67Å; Y86-H389 PolarHBondContact OH-ND1 3.24Å; Y300-H389 WeakPolarHBondContact CB-CD2 3.32Å; Y300-H389 HydrophobicContact CD1-CB 3.97Å; Y300-H389 AromaticContact CD1-CD2 3.99Å; Y300-H389 HydrophobicContact CD2-CB 4.48Å; Y300-H389 AromaticContact CD2-CD2 3.74Å; Y300-H389 HydrophobicContact CE1-CB 3.99Å; Y300-H389 HydrophobicContact CE2-CB 4.49Å; Y300-H389 HydrophobicContact CG-CB 4.22Å; Y300-H389 AromaticContact CG-CD2 3.43Å; Y300-H389 VanDerWaalsContact CG-CD2 3.43Å; Y300-H389 AromaticContact CG-CG 3.93Å; L385-H389 PolarHBondContact O-N 3.17Å; I386-H389 PolarHBondContact O-N 3.38Å; H389-Q391 PolarHBondContact O-N 3.09Å; H389-T392 WeakPolarHBondContact O-CA 3.41Å; H389-T392 WeakPolarHBondContact O-CB 3.5Å; H389-T392 PolarHBondContact O-N 3.28Å; H389-I393 WeakPolarHBondContact O-CG1 3.27Å; H389-I393 PolarHBondContact O-N 3.41Å
390E95.6Very high89.4Confident70 Ų7059.7 Ų59.733%0.32730%0.299SS..Hα-helixtrans-63.1-40.3179.1-72.6176.1169.300112.2K44 I386 Q387 T392 I393 D394K44-E390 IonicContact NZ-OE1 3.9Å; K44-E390 PolarHBondContact NZ-OE1 2.91Å; I386-E390 HydrophobicContact CG2-CG 4.26Å; I386-E390 WeakPolarHBondContact CG2-OE1 3.45Å; I386-E390 WeakPolarHBondContact O-CB 3.38Å; I386-E390 WeakPolarHBondContact O-CG 3.33Å; I386-E390 PolarHBondContact O-N 3.34Å; Q387-E390 PolarHBondContact O-N 3.16Å; E390-T392 PolarHBondContact O-N 3.23Å; E390-I393 PolarHBondContact O-N 3.29Å; E390-I393 VanDerWaalsContact O-N 3.11Å; E390-D394 PolarHBondContact O-N 2.78Å
391Q93.7Very high89.1Confident82 Ų8260.7 Ų60.738%0.38330%0.304SS..Hα-helixtrans-58-31.8172.1-74.9172.9-9.600113Q387 H389 Q395Q387-Q391 WeakPolarHBondContact O-CB 3.27Å; Q387-Q391 VanDerWaalsContact O-CG 3.24Å; Q387-Q391 WeakPolarHBondContact O-CG 3.38Å; Q387-Q391 PolarHBondContact O-N 3.44Å; H389-Q391 PolarHBondContact O-N 3.09Å; Q391-Q395 VanDerWaalsContact O-CG 3.31Å; Q391-Q395 WeakPolarHBondContact O-CG 3.05Å
392T91.8Very high88.7Confident36 Ų3664.3 Ų64.322%0.22132%0.321CS..Hα-helixtrans-78-37.6177.2-53.10000111.4Y300 L388 H389 E390 T396Y300-T392 HydrophobicContact CD2-CG2 4.15Å; Y300-T392 HydrophobicContact CE2-CG2 4.32Å; Y300-T392 WeakPolarHBondContact CE2-OG1 3.44Å; L388-T392 PolarHBondContact O-N 3.39Å; L388-T392 PolarHBondContact O-OG1 3.1Å; H389-T392 WeakPolarHBondContact O-CA 3.41Å; H389-T392 WeakPolarHBondContact O-CB 3.5Å; H389-T392 PolarHBondContact O-N 3.28Å; E390-T392 PolarHBondContact O-N 3.23Å; T392-T396 PolarHBondContact O-N 3.14Å; T392-T396 PolarHBondContact O-OG1 3.3Å
393I92.2Very high88.1Confident17 Ų1768.3 Ų68.39%0.08734%0.342CS..Hα-helixtrans-62.7-51.1175.5-68.8169.8000110.6K44 H223 H389 E390 Q395 T396 I397K44-I393 HydrophobicContact CD-CD1 4.08Å; K44-I393 HydrophobicContact CG-CD1 4.37Å; H223-I393 HydrophobicContact CB-CD1 3.68Å; H223-I393 HydrophobicContact CB-CG1 4.13Å; H223-I393 WeakPolarHBondContact CE1-CG2 3.23Å; H389-I393 WeakPolarHBondContact O-CG1 3.27Å; H389-I393 PolarHBondContact O-N 3.41Å; E390-I393 PolarHBondContact O-N 3.29Å; E390-I393 VanDerWaalsContact O-N 3.11Å; I393-Q395 PolarHBondContact O-N 2.81Å; I393-Q395 VanDerWaalsContact O-N 3.11Å; I393-T396 PolarHBondContact O-N 2.78Å; I393-I397 HydrophobicContact CG2-CD1 3.97Å; I393-I397 PolarHBondContact O-N 3.24Å
394D88.1Confident87.4Confident96 Ų9668.6 Ų68.651%0.51334%0.337SS..Hα-helixtrans-61-25.2-175.6-73.7-14.3000113.3E390E390-D394 PolarHBondContact O-N 2.78Å
395Q78.3Confident86.7Confident93 Ų9370.3 Ų70.344%0.43535%0.349SS..Hα-helixtrans-84.8-25.5177.6-70.5-178.76.400113.4N348 Q391 I393N348-Q395 PolarHBondContact ND2-NE2 3.47Å; N348-Q395 VanDerWaalsContact ND2-NE2 3.15Å; N348-Q395 PolarHBondContact ND2-OE1 3.43Å; Q391-Q395 VanDerWaalsContact O-CG 3.31Å; Q391-Q395 WeakPolarHBondContact O-CG 3.05Å; I393-Q395 PolarHBondContact O-N 2.81Å; I393-Q395 VanDerWaalsContact O-N 3.11Å
396T71.1Confident85.8Confident114 Ų11475.6 Ų75.670%0.69938%0.375SS*.Hα-helixtrans-74-21173.7-480000111.7T392 I393T392-T396 PolarHBondContact O-N 3.14Å; T392-T396 PolarHBondContact O-OG1 3.3Å; I393-T396 PolarHBondContact O-N 2.78Å
397I63.8Low84.8Confident124 Ų12481.1 Ų81.164%0.63640%0.402SS*.Hα-helixtrans-86.5-24180-63.3170.8000112.2I393I393-I397 HydrophobicContact CG2-CD1 3.97Å; I393-I397 PolarHBondContact O-N 3.24Å
398K51.7Low83.6Confident233 Ų23380 Ų80100%1.01340%0.399SS*.  trans-86.10176-72179.5-178.4177.30110.9

Retrieved 398 of 398 residues in 493.1 ms (Link to these results)

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