A0A093HB75_STRCA Loading...

poly(A)-specific ribonuclease

AlphaFold DB (A0A6I9HBL0), UniProt , Accession A0A093HB75, Species STRCA (Struthio camelus australis), Gene n/a, Length 285 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
1M37.8Very low50.3Low199 Ų19995.5 Ų95.598%0.9852%0.521SS*.  0158.40-75.5-144.2-8400106.8A3M1-A3 PolarHBondContact O-N 3.27Å
2P38.6Very low54.1Low114 Ų11490.8 Ų90.874%0.7450%0.495SS*.  trans-64.2127.7-174.324.1-25.6000109.3
3A42.7Very low57.5Low34 Ų3485.6 Ų85.628%0.28147%0.469SS..  trans-45.3141.9171.300000110M1 T5 K240M1-A3 PolarHBondContact O-N 3.27Å; A3-T5 PolarHBondContact O-N 3.03Å; A3-K240 HydrophobicContact CB-CD 4.09Å
4A46.3Very low60.4Low60 Ų6084.8 Ų84.850%0.49646%0.46SS..  trans-3699.6-175.900000111.5V6A4-V6 PolarHBondContact O-N 3.39Å
5T47.1Very low63Low108 Ų10879.1 Ų79.166%0.66343%0.429SS*.  trans-70.9130.8177.347.40000107.2A3 D7A3-T5 PolarHBondContact O-N 3.03Å; T5-D7 PolarHBondContact O-N 3.3Å
6V48.1Very low65.2Low47 Ų4775.3 Ų75.329%0.28541%0.407SS..  trans-53103.7173.7177.70000108.3A4 H8 E219 I221A4-V6 PolarHBondContact O-N 3.39Å; V6-H8 PolarHBondContact O-N 2.69Å; V6-E219 HydrophobicContact CG2-CB 4.18Å; V6-I221 HydrophobicContact CG1-CD1 3.89Å
7D50Low67.2Low86 Ų8674 Ų7446%0.4641%0.409SS..  trans-84.1112.6168.9-176.22.8000106.9T5 S9 Q10T5-D7 PolarHBondContact O-N 3.3Å; D7-S9 PolarHBondContact O-N 2.74Å; D7-S9 WeakPolarHBondContact OD1-CB 3.49Å; D7-S9 PolarHBondContact OD1-N 3.43Å; D7-S9 PolarHBondContact OD1-OG 2.58Å; D7-S9 WeakPolarHBondContact OD2-CB 3.46Å; D7-S9 PolarHBondContact OD2-OG 3.35Å; D7-Q10 WeakPolarHBondContact O-CB 3.2Å; D7-Q10 WeakPolarHBondContact O-CG 3.45Å; D7-Q10 PolarHBondContact O-N 3.06Å
8H48.8Very low68.9Low169 Ų16976.1 Ų76.178%0.78243%0.428SS*.THydrogen-bonded Turntrans-60.90.9174.4-61.7-60000113.7V6V6-H8 PolarHBondContact O-N 2.69Å
9S49.6Very low70.5Confident47 Ų4773.7 Ų73.733%0.32941%0.414SS..THydrogen-bonded Turntrans-78.2-12.9166.988.60000114.5D7 R11D7-S9 PolarHBondContact O-N 2.74Å; D7-S9 WeakPolarHBondContact OD1-CB 3.49Å; D7-S9 PolarHBondContact OD1-N 3.43Å; D7-S9 PolarHBondContact OD1-OG 2.58Å; D7-S9 WeakPolarHBondContact OD2-CB 3.46Å; D7-S9 PolarHBondContact OD2-OG 3.35Å; S9-R11 PolarHBondContact O-N 3.29Å; S9-R11 VanDerWaalsContact O-N 3.1Å
10Q61.5Low71.9Confident17 Ų1770.2 Ų70.28%0.07939%0.394CS..  trans-62.6109.8179.6-74.1171.1-10.500111.2D7 Y88 I221D7-Q10 WeakPolarHBondContact O-CB 3.2Å; D7-Q10 WeakPolarHBondContact O-CG 3.45Å; D7-Q10 PolarHBondContact O-N 3.06Å; Q10-Y88 HydrophobicContact CG-CD2 4.47Å; Q10-Y88 HydrophobicContact CG-CG 4.47Å; Q10-I221 HydrophobicContact CB-CD1 4.35Å
11R82.6Confident73.2Confident169 Ų16969.7 Ų69.764%0.63839%0.391SS*.EExtended strand (participates in β ladder)trans-114.1126.1177.2-68.5-159.1-71.9-158.1-1.1111.1S9S9-R11 PolarHBondContact O-N 3.29Å; S9-R11 VanDerWaalsContact O-N 3.1Å
12I96.2Very high76.1Confident40 Ų4065.4 Ų65.421%0.20537%0.368CS..EExtended strand (participates in β ladder)trans-76.1122.2163-58.9174.3000107.3T94 Q96I12-T94 CarbonylContact C-O 3.57Å; I12-T94 WeakPolarHBondContact CA-O 3.36Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 3.94Å; I12-T94 HydrophobicContact CG2-CG2 4.31Å; I12-Q96 HydrophobicContact CG2-CB 3.85Å
13C98.1Very high79Confident23 Ų2360.4 Ų60.416%0.15534%0.335CS..EExtended strand (participates in β ladder)trans-99.5117175.91790000110V15 T92 T94 W95 Q96C13-V15 PolarHBondContact O-N 2.99Å; C13-T92 HydrophobicContact CB-CG2 3.44Å; C13-T92 VanDerWaalsContact CB-CG2 3.44Å; C13-T94 PolarHBondContact N-O 2.86Å; C13-W95 HydrophobicContact CB-CG 4.48Å; C13-Q96 PolarHBondContact O-N 3.1Å
14E98.4Very high81.6Confident74 Ų7458.9 Ų58.935%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-69.5122.3171.5-62.9-55.613400110.7N19 Q96 N98E14-N19 PolarHBondContact O-ND2 2.75Å; E14-Q96 PolarHBondContact OE1-NE2 2.81Å; E14-Q96 PolarHBondContact OE2-NE2 2.92Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.1Å; E14-N98 PolarHBondContact OE2-ND2 3.47Å
15V98.8Very high84.1Confident0 Ų062.1 Ų62.10%033%0.325CS..EExtended strand (participates in β ladder)trans-111.6125.1177.2-162.20000109.1C13 L20 E23 W95 Q96 F97 N98 I131C13-V15 PolarHBondContact O-N 2.99Å; V15-L20 HydrophobicContact CG1-CB 4.31Å; V15-L20 HydrophobicContact CG1-CD1 4.01Å; V15-E23 HydrophobicContact CG1-CB 4.14Å; V15-E23 HydrophobicContact CG1-CG 4.23Å; V15-E23 HydrophobicContact CG2-CB 4.14Å; V15-E23 HydrophobicContact CG2-CG 4.09Å; V15-W95 HydrophobicContact CG2-CB 4.09Å; V15-W95 HydrophobicContact CG2-CG 4.27Å; V15-Q96 PolarHBondContact N-O 2.88Å; V15-F97 HydrophobicContact CB-CD1 3.78Å; V15-F97 HydrophobicContact CB-CE1 4.18Å; V15-F97 HydrophobicContact CB-CG 4.31Å; V15-F97 HydrophobicContact CG1-CD1 3.82Å; V15-F97 HydrophobicContact CG1-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CD1 4.09Å; V15-F97 HydrophobicContact CG2-CE1 4.1Å; V15-F97 HydrophobicContact CG2-CG 4.49Å; V15-F97 HydrophobicContact CG2-CZ 4.5Å; V15-N98 WeakPolarHBondContact O-CB 3.36Å; V15-N98 PolarHBondContact O-N 3.45Å; V15-N98 PolarHBondContact O-ND2 3.03Å; V15-N98 VanDerWaalsContact O-ND2 3.15Å; V15-I131 HydrophobicContact CB-CD1 4.3Å; V15-I131 HydrophobicContact CG1-CD1 4.08Å; V15-I131 WeakPolarHBondContact O-CD1 3.41Å
16W98.9Very high86.5Confident18 Ų1860.8 Ų60.87%0.06831%0.31CS..  trans-124.6177.3176.9-60.988.5000108.5C18 N19 L20 N98 K125 H126 E129 I131W16-C18 PolarHBondContact O-N 3.49Å; W16-C18 VanDerWaalsContact O-N 3.14Å; W16-N19 PolarHBondContact N-OD1 2.99Å; W16-N19 PolarHBondContact O-N 3.4Å; W16-N19 PolarHBondContact O-OD1 3.5Å; W16-L20 PolarHBondContact O-N 2.94Å; W16-L20 VanDerWaalsContact O-N 3.1Å; W16-N98 HydrophobicContact CD2-CB 3.84Å; W16-N98 HydrophobicContact CE3-CB 3.56Å; W16-N98 HydrophobicContact CH2-CB 3.49Å; W16-N98 VanDerWaalsContact CH2-CB 3.49Å; W16-N98 HydrophobicContact CZ2-CB 3.77Å; W16-N98 VanDerWaalsContact CZ2-CG 3.43Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.13Å; W16-N98 HydrophobicContact CZ3-CB 3.38Å; W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.32Å; W16-K125 HydrophobicContact CE3-CD 4.35Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 3.98Å; W16-K125 HydrophobicContact CH2-CD 3.69Å; W16-K125 HydrophobicContact CH2-CG 3.77Å; W16-K125 HydrophobicContact CZ2-CD 3.62Å; W16-K125 HydrophobicContact CZ2-CG 4.2Å; W16-K125 HydrophobicContact CZ3-CB 4.07Å; W16-K125 HydrophobicContact CZ3-CD 4.05Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; W16-H126 AromaticContact CH2-CD2 3.84Å; W16-H126 AromaticContact CH2-NE2 3.87Å; W16-E129 HydrophobicContact CE3-CB 4.02Å; W16-I131 VanDerWaalsContact C-CG1 3.48Å
17A98.9Very high88.9Confident53 Ų5358.6 Ų58.644%0.43830%0.297SS..THydrogen-bonded Turntrans-56.7-33.6179.800000113N19 E129A17-N19 PolarHBondContact O-N 2.92Å; A17-E129 WeakPolarHBondContact CB-O 3.33Å; A17-E129 PolarHBondContact N-O 2.97Å
18C98.6Very high91.2Very high111 Ų11157.7 Ų57.775%0.7529%0.287SS*.THydrogen-bonded Turntrans-72.1-25.2-174.764.80000114.9W16W16-C18 PolarHBondContact O-N 3.49Å; W16-C18 VanDerWaalsContact O-N 3.14Å
19N98.7Very high93.6Very high32 Ų3254.9 Ų54.917%0.17127%0.274CS..THydrogen-bonded Turntrans-119.82.9-178.668.4-28.8000113.9E14 W16 A17 D21 E22 E23E14-N19 PolarHBondContact O-ND2 2.75Å; W16-N19 PolarHBondContact N-OD1 2.99Å; W16-N19 PolarHBondContact O-N 3.4Å; W16-N19 PolarHBondContact O-OD1 3.5Å; A17-N19 PolarHBondContact O-N 2.92Å; N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 2.93Å; N19-E22 WeakPolarHBondContact O-CB 3.43Å; N19-E22 PolarHBondContact O-N 3.06Å; N19-E23 PolarHBondContact O-N 2.93Å
20L98.9Very high95.9Very high2 Ų253.9 Ų53.91%0.0127%0.266CS..Hα-helixtrans-51.1-49.4-177.917862.6000113.3V15 W16 E22 E23 M24 F97 I131 Y135 F136 L139V15-L20 HydrophobicContact CG1-CB 4.31Å; V15-L20 HydrophobicContact CG1-CD1 4.01Å; W16-L20 PolarHBondContact O-N 2.94Å; W16-L20 VanDerWaalsContact O-N 3.1Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.02Å; L20-E23 PolarHBondContact O-N 3Å; L20-M24 HydrophobicContact CD1-CG 3.81Å; L20-M24 HydrophobicContact CG-CG 4.35Å; L20-M24 WeakPolarHBondContact O-CB 3.33Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.42Å; L20-M24 PolarHBondContact O-N 3.31Å; L20-F97 HydrophobicContact CD1-CD1 3.94Å; L20-F97 HydrophobicContact CD1-CE1 3.89Å; L20-I131 HydrophobicContact CD1-CD1 4.06Å; L20-I131 HydrophobicContact CD2-CG1 4.42Å; L20-I131 HydrophobicContact CD2-CG2 3.67Å; L20-Y135 HydrophobicContact CD2-CD1 3.8Å; L20-Y135 HydrophobicContact CD2-CE1 4.2Å; L20-F136 HydrophobicContact CD1-CD2 4.09Å; L20-L139 HydrophobicContact CD1-CD1 4.36Å; L20-L139 HydrophobicContact CD2-CD1 3.75Å; L20-L139 HydrophobicContact CG-CD1 3.63Å
21D98.8Very high97.6Very high61 Ų6153.6 Ų53.633%0.32627%0.265SS..Hα-helixtrans-61.8-37179.2-86.6-72.6000113.6N19 K25 Y135N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 2.93Å; D21-K25 WeakPolarHBondContact O-CD 3.46Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å; D21-K25 PolarHBondContact O-N 3.08Å; D21-Y135 PolarHBondContact OD1-OH 2.89Å; D21-Y135 WeakPolarHBondContact OD2-CE1 3.48Å; D21-Y135 PolarHBondContact OD2-OH 3.2Å
22E98.6Very high98.3Very high109 Ų10954.4 Ų54.451%0.50927%0.268SS..Hα-helixtrans-67.7-48.2179-175.4-176.2155.700110.4N19 L20 K25 K26N19-E22 WeakPolarHBondContact O-CB 3.43Å; N19-E22 PolarHBondContact O-N 3.06Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.02Å; E22-K25 WeakPolarHBondContact O-CB 3.43Å; E22-K25 PolarHBondContact O-N 3.11Å; E22-K26 PolarHBondContact O-N 3.29Å; E22-K26 WeakPolarHBondContact OE1-CE 3.06Å; E22-K26 IonicContact OE1-NZ 2.74Å; E22-K26 PolarHBondContact OE1-NZ 2.92Å
23E98.7Very high98.4Very high8 Ų860.2 Ų60.24%0.03729%0.292CS..Hα-helixtrans-70.3-39.7-176.9-62.7-46.8126.200111.9V15 N19 L20 K25 K26 I27 W95V15-E23 HydrophobicContact CG1-CB 4.14Å; V15-E23 HydrophobicContact CG1-CG 4.23Å; V15-E23 HydrophobicContact CG2-CB 4.14Å; V15-E23 HydrophobicContact CG2-CG 4.09Å; N19-E23 PolarHBondContact O-N 2.93Å; L20-E23 PolarHBondContact O-N 3Å; E23-K25 VanDerWaalsContact C-N 3.26Å; E23-K25 PolarHBondContact O-N 2.92Å; E23-K26 WeakPolarHBondContact O-CB 3.48Å; E23-K26 PolarHBondContact O-N 3.27Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.28Å; E23-K26 WeakPolarHBondContact OE2-CD 3.43Å; E23-K26 IonicContact OE2-NZ 3.57Å; E23-I27 WeakPolarHBondContact O-CG1 3.4Å; E23-I27 PolarHBondContact O-N 3.38Å; E23-W95 PolarHBondContact OE2-NE1 3.29Å
24M98.7Very high98.4Very high2 Ų261 Ų611%0.0129%0.291CS..Hα-helixtrans-62.6-32.3174.6-71.6-59.3-70.900112.5L20 I27 R28 F97 F136 L139 L140L20-M24 HydrophobicContact CD1-CG 3.81Å; L20-M24 HydrophobicContact CG-CG 4.35Å; L20-M24 WeakPolarHBondContact O-CB 3.33Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.42Å; L20-M24 PolarHBondContact O-N 3.31Å; M24-I27 HydrophobicContact SD-CD1 3.95Å; M24-R28 VanDerWaalsContact O-CG 3.26Å; M24-R28 WeakPolarHBondContact O-CG 3.47Å; M24-R28 PolarHBondContact O-N 2.81Å; M24-R28 VanDerWaalsContact O-N 3.08Å; M24-F97 HydrophobicContact CG-CE1 4.5Å; M24-F97 HydrophobicContact SD-CE1 3.81Å; M24-F97 HydrophobicContact SD-CZ 3.89Å; M24-F136 HydrophobicContact SD-CE2 4.39Å; M24-L139 HydrophobicContact CB-CB 4.4Å; M24-L139 HydrophobicContact CB-CD1 4.32Å; M24-L139 HydrophobicContact CE-CB 3.9Å; M24-L139 HydrophobicContact CG-CB 4.05Å; M24-L139 HydrophobicContact CG-CD1 3.99Å; M24-L140 HydrophobicContact CE-CB 4.34Å; M24-L140 HydrophobicContact CE-CD1 4.32Å
25K98.4Very high98.4Very high128 Ų12859.7 Ų59.756%0.55729%0.287SS*.Hα-helixtrans-66.1-37172.2-74.4165.5-169.9165.80112.4D21 E22 E23D21-K25 WeakPolarHBondContact O-CD 3.46Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å; D21-K25 PolarHBondContact O-N 3.08Å; E22-K25 WeakPolarHBondContact O-CB 3.43Å; E22-K25 PolarHBondContact O-N 3.11Å; E23-K25 VanDerWaalsContact C-N 3.26Å; E23-K25 PolarHBondContact O-N 2.92Å
26K98.3Very high98.4Very high81 Ų8160.2 Ų60.235%0.35229%0.289SS..Hα-helixtrans-68.3-45.8175.7-66170-171.2161.30110.5E22 E23 R28 Q29 V30 W95E22-K26 PolarHBondContact O-N 3.29Å; E22-K26 WeakPolarHBondContact OE1-CE 3.06Å; E22-K26 IonicContact OE1-NZ 2.74Å; E22-K26 PolarHBondContact OE1-NZ 2.92Å; E23-K26 WeakPolarHBondContact O-CB 3.48Å; E23-K26 PolarHBondContact O-N 3.27Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.28Å; E23-K26 WeakPolarHBondContact OE2-CD 3.43Å; E23-K26 IonicContact OE2-NZ 3.57Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 2.89Å; K26-Q29 WeakPolarHBondContact O-CA 3.35Å; K26-Q29 WeakPolarHBondContact O-CB 3.46Å; K26-Q29 PolarHBondContact O-N 2.94Å; K26-V30 WeakPolarHBondContact O-CG2 3.43Å; K26-V30 PolarHBondContact O-N 3.06Å; K26-W95 HydrophobicContact CB-CZ2 4.34Å
27I98.6Very high98.4Very high1 Ų159.3 Ų59.31%0.00529%0.285CS..Hα-helixtrans-56-43.2176.9-72.1169.1000111.6E23 M24 Q29 V30 I31 F81 W95 F97 V145E23-I27 WeakPolarHBondContact O-CG1 3.4Å; E23-I27 PolarHBondContact O-N 3.38Å; M24-I27 HydrophobicContact SD-CD1 3.95Å; I27-Q29 PolarHBondContact O-N 2.84Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; I27-V30 PolarHBondContact O-N 3.1Å; I27-I31 WeakPolarHBondContact O-CG2 3.27Å; I27-I31 PolarHBondContact O-N 3.46Å; I27-F81 HydrophobicContact CB-CZ 4.39Å; I27-F81 HydrophobicContact CD1-CE2 4.36Å; I27-F81 HydrophobicContact CD1-CZ 4.4Å; I27-F81 HydrophobicContact CG1-CE2 4.13Å; I27-F81 HydrophobicContact CG1-CZ 4.14Å; I27-F81 HydrophobicContact CG2-CE1 3.91Å; I27-F81 HydrophobicContact CG2-CE2 4.33Å; I27-F81 HydrophobicContact CG2-CZ 3.5Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.84Å; I27-W95 HydrophobicContact CD1-CE3 4.34Å; I27-W95 HydrophobicContact CD1-CG 3.8Å; I27-W95 HydrophobicContact CG1-CD2 3.78Å; I27-W95 HydrophobicContact CG1-CE3 4.04Å; I27-W95 HydrophobicContact CG1-CG 4.27Å; I27-W95 HydrophobicContact CG1-CH2 4.35Å; I27-W95 HydrophobicContact CG1-CZ2 4.09Å; I27-W95 HydrophobicContact CG1-CZ3 4.32Å; I27-F97 HydrophobicContact CD1-CE1 4.48Å; I27-F97 HydrophobicContact CD1-CE2 4.33Å; I27-F97 HydrophobicContact CD1-CZ 3.55Å; I27-V145 HydrophobicContact CG2-CG2 3.64Å
28R98.3Very high98.4Very high66 Ų6656.8 Ų56.825%0.24927%0.265CS..Hα-helixtrans-55.9-27.7174.6-75.7171.8-170.2-178.22.2114.2M24 K26 L139 T142M24-R28 VanDerWaalsContact O-CG 3.26Å; M24-R28 WeakPolarHBondContact O-CG 3.47Å; M24-R28 PolarHBondContact O-N 2.81Å; M24-R28 VanDerWaalsContact O-N 3.08Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 2.89Å; R28-L139 PolarHBondContact NH2-O 3.24Å; R28-T142 PolarHBondContact NH2-OG1 2.97Å
29Q97.9Very high98.4Very high111 Ų11151.5 Ų51.552%0.51923%0.229SC..Hα-helixtrans-86.3-40.1174.6-59.9-53.8-42.400111.8K26 I27 R32K26-Q29 WeakPolarHBondContact O-CA 3.35Å; K26-Q29 WeakPolarHBondContact O-CB 3.46Å; K26-Q29 PolarHBondContact O-N 2.94Å; I27-Q29 PolarHBondContact O-N 2.84Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-R32 PolarHBondContact O-N 3.14Å
30V98Very high98.4Very high25 Ų2550.4 Ų50.415%0.15222%0.223CC..Hα-helixtrans-63.6-47.6-178.3169.60000111.3K26 I27 R32 K33 Y34 F81 P89 W95K26-V30 WeakPolarHBondContact O-CG2 3.43Å; K26-V30 PolarHBondContact O-N 3.06Å; I27-V30 PolarHBondContact O-N 3.1Å; V30-R32 PolarHBondContact O-N 3.02Å; V30-K33 PolarHBondContact O-N 2.81Å; V30-Y34 HydrophobicContact CG1-CD2 4.02Å; V30-Y34 HydrophobicContact CG1-CG 4.27Å; V30-Y34 WeakPolarHBondContact O-CD2 3.49Å; V30-Y34 PolarHBondContact O-N 2.89Å; V30-F81 HydrophobicContact CG1-CB 3.63Å; V30-F81 HydrophobicContact CG1-CD1 4.01Å; V30-F81 HydrophobicContact CG1-CG 3.81Å; V30-P89 HydrophobicContact CG1-CB 3.98Å; V30-P89 HydrophobicContact CG1-CG 3.88Å; V30-P89 HydrophobicContact CG2-CB 4.3Å; V30-W95 HydrophobicContact CG2-CH2 4.06Å
31I98.1Very high98.4Very high12 Ų1250.4 Ų50.46%0.06222%0.223CC..THydrogen-bonded Turntrans-56.9-24.5-176.3-169.167.9000113.5I27 K33 V37 F81 V145 V151I27-I31 WeakPolarHBondContact O-CG2 3.27Å; I27-I31 PolarHBondContact O-N 3.46Å; I31-K33 VanDerWaalsContact C-N 3.25Å; I31-K33 PolarHBondContact O-N 3.31Å; I31-V37 HydrophobicContact CD1-CG2 3.48Å; I31-V37 VanDerWaalsContact CD1-CG2 3.48Å; I31-F81 HydrophobicContact CB-CE1 4.37Å; I31-F81 HydrophobicContact CD1-CD1 4.06Å; I31-F81 HydrophobicContact CD1-CE1 3.87Å; I31-V145 HydrophobicContact CB-CG2 4.09Å; I31-V145 HydrophobicContact CD1-CG2 4.22Å; I31-V145 HydrophobicContact CG1-CG2 3.96Å; I31-V145 HydrophobicContact CG2-CG2 4.29Å; I31-V151 HydrophobicContact CD1-CG1 4Å; I31-V151 HydrophobicContact CD1-CG2 3.95Å; I31-V151 HydrophobicContact CG1-CG2 4.11Å
32R97Very high98.4Very high186 Ų18647.5 Ų47.570%0.70221%0.207SC*.THydrogen-bonded Turntrans-65.9-25.2178.7-62.3179.6175.1-175.3-7.8113.8Q29 V30Q29-R32 PolarHBondContact O-N 3.14Å; V30-R32 PolarHBondContact O-N 3.02Å
33K98Very high98.3Very high162 Ų16242.4 Ų42.470%0.70418%0.183SC*.THydrogen-bonded Turntrans-118-26-179.4-67.7-176178.6-177.70112.7V30 I31V30-K33 PolarHBondContact O-N 2.81Å; I31-K33 VanDerWaalsContact C-N 3.25Å; I31-K33 PolarHBondContact O-N 3.31Å
34Y98.4Very high98.3Very high39 Ų3942 Ų4215%0.15318%0.182CC..  trans-118.277.2-176.1-59.7-88.1000108V30 M82 N83 E87 Y88 P89V30-Y34 HydrophobicContact CG1-CD2 4.02Å; V30-Y34 HydrophobicContact CG1-CG 4.27Å; V30-Y34 WeakPolarHBondContact O-CD2 3.49Å; V30-Y34 PolarHBondContact O-N 2.89Å; Y34-M82 CarbonylContact C-O 3.59Å; Y34-M82 WeakPolarHBondContact CA-O 3.45Å; Y34-M82 WeakPolarHBondContact CB-O 3.41Å; Y34-N83 HydrophobicContact CD1-CB 3.85Å; Y34-N83 HydrophobicContact CE1-CB 4.2Å; Y34-E87 WeakPolarHBondContact CD1-O 3.43Å; Y34-E87 WeakPolarHBondContact CE1-O 3.45Å; Y34-Y88 VanDerWaalsContact CE1-O 3.28Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.26Å; Y34-Y88 PolarHBondContact OH-O 3.42Å; Y34-P89 HydrophobicContact CD1-CB 4.37Å; Y34-P89 HydrophobicContact CD2-CB 3.77Å; Y34-P89 HydrophobicContact CE1-CB 4.29Å; Y34-P89 VanDerWaalsContact CE1-N 3.29Å; Y34-P89 HydrophobicContact CE2-CB 3.65Å; Y34-P89 HydrophobicContact CG-CB 4.15Å; Y34-P89 HydrophobicContact CG-CG 4.48Å
35N98.4Very high98Very high46 Ų4641.9 Ų41.925%0.24618%0.181CC..  trans-90.20.4-171.166.6-34.8000114.1M82 G150 V151 K152N35-M82 PolarHBondContact N-O 2.79Å; N35-M82 VanDerWaalsContact N-O 3.16Å; N35-G150 WeakPolarHBondContact CB-O 3.35Å; N35-G150 PolarHBondContact ND2-O 3.03Å; N35-V151 WeakPolarHBondContact O-CA 3.47Å; N35-K152 PolarHBondContact O-N 2.6Å
36Y98.8Very high97.8Very high11 Ų1136.4 Ų36.44%0.04316%0.158CC..EExtended strand (participates in β ladder)trans-91.5113.4167.2-78-107000108.2F81 M82 E84 K152 L154 F238 F239Y36-F81 CarbonylContact O-C 3.49Å; Y36-F81 WeakPolarHBondContact O-CA 2.93Å; Y36-M82 WeakPolarHBondContact CB-O 3.45Å; Y36-M82 PolarHBondContact N-O 2.79Å; Y36-M82 PolarHBondContact O-N 3.24Å; Y36-E84 HydrophobicContact CE2-CB 4.28Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.26Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.49Å; Y36-E84 PolarHBondContact OH-OE1 3.4Å; Y36-E84 PolarHBondContact OH-OE2 3.23Å; Y36-K152 CarbonylContact C-O 3.54Å; Y36-K152 WeakPolarHBondContact CA-O 3.46Å; Y36-K152 HydrophobicContact CD1-CB 3.75Å; Y36-K152 HydrophobicContact CD1-CG 4.36Å; Y36-K152 HydrophobicContact CD2-CB 4.29Å; Y36-K152 HydrophobicContact CD2-CG 4.3Å; Y36-K152 HydrophobicContact CE1-CB 3.76Å; Y36-K152 HydrophobicContact CE1-CG 3.97Å; Y36-K152 HydrophobicContact CE2-CB 4.26Å; Y36-K152 HydrophobicContact CE2-CG 3.87Å; Y36-K152 HydrophobicContact CG-CB 4.02Å; Y36-L154 HydrophobicContact CD1-CD1 4.06Å; Y36-L154 HydrophobicContact CD1-CD2 4.06Å; Y36-L154 HydrophobicContact CD1-CG 4.27Å; Y36-F238 HydrophobicContact CD1-CE1 4.02Å; Y36-F238 AromaticContact CE1-CE1 3.78Å; Y36-F238 HydrophobicContact CE1-CE1 3.78Å; Y36-F238 HydrophobicContact CE1-CZ 4.15Å; Y36-F239 HydrophobicContact CD1-CE1 4.47Å; Y36-F239 HydrophobicContact CD1-CE2 4.3Å; Y36-F239 AromaticContact CD1-CZ 3.68Å; Y36-F239 HydrophobicContact CD1-CZ 3.68Å; Y36-F239 HydrophobicContact CD2-CZ 4.4Å; Y36-F239 HydrophobicContact CE1-CZ 4.2Å; Y36-F239 HydrophobicContact CG-CE2 4.46Å; Y36-F239 AromaticContact CG-CZ 3.79Å; Y36-F239 HydrophobicContact CG-CZ 3.79Å
37V98.9Very high97.6Very high0 Ų035.6 Ų35.60%016%0.16CC..EExtended strand (participates in β ladder)trans-111.4112.9179.9-173.90000106.8I31 M39 L79 T80 F81 V151 K152 W153 L154I31-V37 HydrophobicContact CD1-CG2 3.48Å; I31-V37 VanDerWaalsContact CD1-CG2 3.48Å; V37-M39 HydrophobicContact CG1-CE 4.39Å; V37-M39 WeakPolarHBondContact O-CE 3.28Å; V37-L79 HydrophobicContact CG1-CB 4.3Å; V37-L79 HydrophobicContact CG1-CD2 3.97Å; V37-T80 CarbonylContact C-O 2.97Å; V37-T80 WeakPolarHBondContact CA-O 3.43Å; V37-F81 HydrophobicContact CG1-CE1 4.27Å; V37-F81 HydrophobicContact CG1-CZ 4.33Å; V37-F81 HydrophobicContact CG2-CD1 3.8Å; V37-F81 HydrophobicContact CG2-CE1 3.72Å; V37-V151 HydrophobicContact CG2-CG1 3.81Å; V37-K152 PolarHBondContact N-O 3.17Å; V37-W153 HydrophobicContact CG1-CH2 4.41Å; V37-W153 CarbonylContact O-C 3.45Å; V37-W153 WeakPolarHBondContact O-CA 3.07Å; V37-L154 PolarHBondContact O-N 3.48Å
38A98.8Very high97.3Very high0 Ų036.6 Ų36.60%017%0.169CC..EExtended strand (participates in β ladder)trans-88.7141.2167.400000110.4L79 T80 M82 L154 S231 T234A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.32Å; A38-T80 PolarHBondContact N-O 3.27Å; A38-T80 PolarHBondContact O-N 3.42Å; A38-M82 HydrophobicContact CB-CE 3.69Å; A38-L154 CarbonylContact C-O 3.46Å; A38-L154 WeakPolarHBondContact CA-O 3.43Å; A38-L154 HydrophobicContact CB-CB 3.94Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; A38-S231 WeakPolarHBondContact CB-O 3.47Å; A38-T234 HydrophobicContact CB-CG2 4.35Å
39M98.7Very high97Very high0 Ų039.1 Ų39.10%018%0.178CC..EExtended strand (participates in β ladder)trans-141.2158.4-178.278.9-68.6-3400113V37 L77 G78 L79 W153 L154 S155 F162V37-M39 HydrophobicContact CG1-CE 4.39Å; V37-M39 WeakPolarHBondContact O-CE 3.28Å; M39-L77 HydrophobicContact CB-CD1 4.44Å; M39-G78 WeakPolarHBondContact CA-O 3.23Å; M39-G78 WeakPolarHBondContact CB-O 3.38Å; M39-L79 HydrophobicContact CB-CD2 3.65Å; M39-W153 HydrophobicContact CB-CZ3 4.32Å; M39-W153 HydrophobicContact CE-CB 3.74Å; M39-W153 HydrophobicContact CE-CD2 3.55Å; M39-W153 HydrophobicContact CE-CE3 2.91Å; M39-W153 HydrophobicContact CE-CG 3.97Å; M39-W153 HydrophobicContact CE-CZ3 3.55Å; M39-W153 HydrophobicContact CG-CE3 4.03Å; M39-W153 HydrophobicContact CG-CZ3 4.04Å; M39-W153 HydrophobicContact SD-CB 4.45Å; M39-W153 HydrophobicContact SD-CD2 4.48Å; M39-W153 HydrophobicContact SD-CE3 3.54Å; M39-W153 VanDerWaalsContact SD-CE3 3.54Å; M39-W153 HydrophobicContact SD-CZ3 4.16Å; M39-L154 WeakPolarHBondContact CE-O 3.06Å; M39-L154 PolarHBondContact N-O 2.87Å; M39-S155 VanDerWaalsContact SD-CB 3.54Å; M39-F162 HydrophobicContact SD-CE1 4.36Å; M39-F162 HydrophobicContact SD-CE2 4.25Å; M39-F162 HydrophobicContact SD-CZ 3.71Å
40D98.7Very high96.7Very high9 Ų935.1 Ų35.15%0.04816%0.162CC..EExtended strand (participates in β ladder)trans-155.6158.7174.4-150.674.8000108G78 A227 D230D40-G78 PolarHBondContact N-O 3.33Å; D40-G78 PolarHBondContact O-N 3.5Å; D40-A227 WeakPolarHBondContact O-CB 3.32Å; D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.17Å
41T98.6Very high96.2Very high1 Ų142.2 Ų42.21%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-134.5147.4177.571.90000111.8I74 Q76 L77 D161T41-I74 HydrophobicContact CG2-CD1 3.8Å; T41-Q76 VanDerWaalsContact CA-O 3.31Å; T41-Q76 WeakPolarHBondContact CA-O 3.45Å; T41-Q76 WeakPolarHBondContact CB-O 3.22Å; T41-L77 HydrophobicContact CG2-CD1 3.68Å; T41-D161 WeakPolarHBondContact CB-OD1 3.05Å; T41-D161 HydrophobicContact CG2-CB 3.93Å; T41-D161 PolarHBondContact N-OD1 2.8Å; T41-D161 PolarHBondContact OG1-OD1 2.95Å
42E98.5Very high95.6Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2136.1166.6-58-60.6164.500109.4I75 Q76 L116 H225 Q226 A227E42-I75 WeakPolarHBondContact O-CA 3.48Å; E42-I75 WeakPolarHBondContact O-CB 3.49Å; E42-I75 PolarHBondContact O-N 2.8Å; E42-Q76 HydrophobicContact CB-CB 3.96Å; E42-Q76 HydrophobicContact CG-CB 4.06Å; E42-Q76 PolarHBondContact N-O 3.1Å; E42-Q76 PolarHBondContact O-N 2.97Å; E42-Q76 VanDerWaalsContact O-N 3.07Å; E42-L116 HydrophobicContact CB-CD2 3.97Å; E42-L116 HydrophobicContact CG-CD2 4.03Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.41Å; E42-H225 WeakPolarHBondContact OE1-CA 3.45Å; E42-Q226 WeakPolarHBondContact OE1-CA 3.28Å; E42-Q226 PolarHBondContact OE1-N 3.3Å; E42-Q226 VanDerWaalsContact OE1-N 3.13Å; E42-A227 HydrophobicContact CG-CB 4.13Å; E42-A227 PolarHBondContact OE1-N 3.25Å
43F97.6Very high95.1Very high2 Ų244.7 Ų44.71%0.00923%0.23CC..  trans-149.2164.2-177.161.5-95000111G45 Y160 Y164 S285F43-G45 PolarHBondContact O-N 3.5Å; F43-Y160 HydrophobicContact CE1-CG 4.29Å; F43-Y160 HydrophobicContact CE2-CD1 4.05Å; F43-Y160 HydrophobicContact CE2-CG 4.24Å; F43-Y160 HydrophobicContact CZ-CD1 4.03Å; F43-Y160 HydrophobicContact CZ-CD2 4.3Å; F43-Y160 AromaticContact CZ-CG 3.74Å; F43-Y160 HydrophobicContact CZ-CG 3.74Å; F43-Y164 HydrophobicContact CB-CD2 4.21Å; F43-Y164 HydrophobicContact CB-CE1 4.46Å; F43-Y164 HydrophobicContact CB-CE2 3.41Å; F43-Y164 VanDerWaalsContact CB-CE2 3.41Å; F43-Y164 WeakPolarHBondContact CB-OH 3.44Å; F43-Y164 HydrophobicContact CD1-CD2 4.15Å; F43-Y164 AromaticContact CD1-CE2 3.66Å; F43-Y164 HydrophobicContact CD1-CE2 3.66Å; F43-Y164 AromaticContact CD2-CE2 3.8Å; F43-Y164 HydrophobicContact CD2-CE2 3.8Å; F43-Y164 HydrophobicContact CE1-CE2 4.36Å; F43-Y164 HydrophobicContact CE2-CE2 4.47Å; F43-Y164 HydrophobicContact CG-CD2 4.23Å; F43-Y164 AromaticContact CG-CE2 3.34Å; F43-Y164 HydrophobicContact CG-CE2 3.34Å; F43-Y164 AromaticContact CG-CZ 3.88Å; F43-S285 WeakPolarHBondContact CE2-OG 3.22Å; F43-S285 WeakPolarHBondContact O-CB 3.45Å
44P97.1Very high94.7Very high0 Ų040.2 Ų40.20%021%0.211CC..  trans-82.240.9-167.633.9-38.7000113.8L72 K73 I75 F101 Y108 A109 I113P44-L72 HydrophobicContact CG-CB 3.9Å; P44-L72 HydrophobicContact CG-CD1 4.19Å; P44-L72 HydrophobicContact CG-CD2 4.02Å; P44-L72 HydrophobicContact CG-CG 4.25Å; P44-K73 WeakPolarHBondContact CD-O 3.33Å; P44-I75 HydrophobicContact CB-CD1 4.04Å; P44-F101 HydrophobicContact CB-CE2 4.24Å; P44-F101 HydrophobicContact CB-CZ 3.84Å; P44-F101 HydrophobicContact CG-CE2 3.91Å; P44-F101 HydrophobicContact CG-CZ 3.96Å; P44-Y108 VanDerWaalsContact CB-CB 3.45Å; P44-A109 WeakPolarHBondContact O-CB 3.49Å; P44-A109 PolarHBondContact O-N 3.32Å; P44-I113 HydrophobicContact CB-CD1 4.29Å
45G93.9Very high94.2Very high0 Ų047.3 Ų47.30%024%0.238CC..  trans71.4-155.417600000115.5F43 L72 S112 N282 S285F43-G45 PolarHBondContact O-N 3.5Å; G45-L72 WeakPolarHBondContact O-CD1 3.44Å; G45-S112 VanDerWaalsContact CA-OG 3.27Å; G45-S112 WeakPolarHBondContact CA-OG 3.32Å; G45-N282 WeakPolarHBondContact CA-OD1 3.29Å; G45-S285 WeakPolarHBondContact CA-OG 3.16Å
46V93.6Very high93.7Very high12 Ų1247.7 Ų47.77%0.07324%0.244CC..  trans-116.7120.5179.4-178.60000109.2L64 N68 E278 A281 N282V46-L64 HydrophobicContact CG1-CD1 4.24Å; V46-N68 WeakPolarHBondContact CG1-ND2 3.45Å; V46-E278 HydrophobicContact CB-CG 4.16Å; V46-E278 HydrophobicContact CG1-CG 4.04Å; V46-E278 HydrophobicContact CG2-CG 4.41Å; V46-A281 HydrophobicContact CG2-CB 4.2Å; V46-N282 PolarHBondContact N-OD1 3.04Å
47V93.3Very high93.1Very high64 Ų6451.2 Ų51.239%0.38826%0.264SS..  trans-115.7-17.7-176.3-57.90000113.8N68 L72 A109V47-N68 PolarHBondContact N-OD1 3.28Å; V47-L72 HydrophobicContact CG1-CD1 4.47Å; V47-L72 HydrophobicContact CG1-CD2 4.19Å; V47-L72 HydrophobicContact CG2-CD1 4.2Å; V47-L72 HydrophobicContact CG2-CD2 3.81Å; V47-L72 HydrophobicContact CG2-CG 4.23Å; V47-A109 HydrophobicContact CG1-CB 4Å; V47-A109 VanDerWaalsContact CG1-N 3.34Å
48A92.8Very high92.5Very high23 Ų2352.1 Ų52.119%0.1927%0.271CS..  trans-123.9147.9-174.500000111.3L64 N68 L71A48-L64 WeakPolarHBondContact O-CD1 3.41Å; A48-N68 PolarHBondContact N-OD1 2.9Å; A48-N68 PolarHBondContact O-ND2 2.77Å; A48-L71 HydrophobicContact CB-CD1 3.82Å
49R92.8Very high92.1Very high119 Ų11952.9 Ų52.945%0.44928%0.275SS..  trans-120.8131.7168.7-67.8-176.4-177.6-123.710.2109.2L64 N275 E278R49-L64 HydrophobicContact CG-CD1 4.37Å; R49-N275 PolarHBondContact NH1-OD1 3.46Å; R49-E278 VanDerWaalsContact CZ-CD 3.45Å; R49-E278 IonicContact CZ-OE1 3.31Å; R49-E278 VanDerWaalsContact CZ-OE1 3.31Å; R49-E278 IonicContact CZ-OE2 2.76Å; R49-E278 IonicContact NE-OE1 3.48Å; R49-E278 PolarHBondContact NE-OE1 3.47Å; R49-E278 IonicContact NE-OE2 3.3Å; R49-E278 PolarHBondContact NE-OE2 2.87Å; R49-E278 IonicContact NH1-OE2 3.03Å; R49-E278 PolarHBondContact NH1-OE2 3.28Å; R49-E278 IonicContact NH2-OE1 2.75Å; R49-E278 PolarHBondContact NH2-OE1 3.48Å; R49-E278 IonicContact NH2-OE2 2.78Å; R49-E278 PolarHBondContact NH2-OE2 3.43Å
50P90.5Very high91.8Very high27 Ų2754.9 Ų54.918%0.17528%0.283CS..  trans-68.4140.2178.631.1-35.3000109.6F54 Y60 Q63 L64P50-F54 HydrophobicContact CB-CE1 3.92Å; P50-F54 HydrophobicContact CB-CZ 3.8Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.8Å; P50-Y60 HydrophobicContact CG-CD2 4.29Å; P50-Y60 HydrophobicContact CG-CE2 3.95Å; P50-Q63 HydrophobicContact CB-CB 4.08Å; P50-Q63 HydrophobicContact CG-CB 4.11Å; P50-L64 HydrophobicContact CG-CB 4.24Å
51I87.6Confident91.5Very high174 Ų17454.7 Ų54.789%0.89228%0.282SS*.  trans-112.6128.7176.3-56.8178000107.6
52G85.9Confident91.4Very high53 Ų5354.7 Ų54.755%0.54628%0.281SS..SBendtrans152.4-170.1178.500000113.2F54G52-F54 WeakPolarHBondContact O-CE2 3.49Å
53E86.6Confident91.3Very high196 Ų19655.9 Ų55.992%0.91629%0.287SS*.  trans-92139.7169.8-64-174.416900109.7
54F90.2Very high91.2Very high69 Ų6955.8 Ų55.830%0.30329%0.287SS..  trans-123.1140.5-178.8-53-82.1000109.5P50 G52 S56 D59 Y60 Q63P50-F54 HydrophobicContact CB-CE1 3.92Å; P50-F54 HydrophobicContact CB-CZ 3.8Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.8Å; G52-F54 WeakPolarHBondContact O-CE2 3.49Å; F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.86Å; F54-D59 WeakPolarHBondContact CA-OD2 3.24Å; F54-Y60 HydrophobicContact CD1-CD2 4.14Å; F54-Y60 AromaticContact CD2-CD2 3.66Å; F54-Y60 HydrophobicContact CD2-CD2 3.66Å; F54-Y60 HydrophobicContact CD2-CG 4.48Å; F54-Y60 AromaticContact CE1-CD2 3.99Å; F54-Y60 HydrophobicContact CE1-CD2 3.99Å; F54-Y60 AromaticContact CE2-CD2 3.5Å; F54-Y60 HydrophobicContact CE2-CD2 3.5Å; F54-Y60 AromaticContact CE2-CE2 3.97Å; F54-Y60 HydrophobicContact CE2-CE2 3.97Å; F54-Y60 AromaticContact CG-CD2 3.98Å; F54-Y60 HydrophobicContact CG-CD2 3.98Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.09Å; F54-Q63 HydrophobicContact CD1-CB 4.24Å; F54-Q63 HydrophobicContact CD1-CG 4Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.95Å
55R86.4Confident91.2Very high188 Ų18855.8 Ų55.871%0.70929%0.287SS*.SBendtrans-69.7-28-177.2-61179.8-171.4151.611.3112.2D59 E177R55-D59 HydrophobicContact CB-CB 4.33Å; R55-D59 PolarHBondContact N-OD2 2.87Å; R55-E177 IonicContact CZ-OE1 3.48Å; R55-E177 IonicContact CZ-OE2 3.39Å; R55-E177 IonicContact NH1-OE1 3.46Å; R55-E177 PolarHBondContact NH1-OE1 3.04Å; R55-E177 IonicContact NH1-OE2 2.67Å; R55-E177 PolarHBondContact NH1-OE2 3.29Å; R55-E177 IonicContact NH2-OE1 2.73Å; R55-E177 PolarHBondContact NH2-OE1 3.45Å; R55-E177 IonicContact NH2-OE2 3.46Å; R55-E177 PolarHBondContact NH2-OE2 3.09Å
56S88.1Confident91.4Very high53 Ų5358.7 Ų58.737%0.37130%0.298SS..SBendtrans-161.6176.9-179.372.40000111.6F54 A58 D59 Y60F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.86Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.31Å; S56-D59 PolarHBondContact O-N 3.11Å; S56-D59 PolarHBondContact OG-N 3.22Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; S56-Y60 PolarHBondContact O-N 3.28Å
57N87.6Confident91.5Very high86 Ų8659.3 Ų59.346%0.4630%0.302SS..Hα-helixtrans-64.5-39170.4-174.7-99.7000111.9D59 Y60 Q61N57-D59 VanDerWaalsContact C-N 3.33Å; N57-D59 PolarHBondContact O-N 3.28Å; N57-Y60 WeakPolarHBondContact O-CB 3.25Å; N57-Y60 PolarHBondContact O-N 3.12Å; N57-Q61 WeakPolarHBondContact O-CG 3.4Å; N57-Q61 PolarHBondContact O-N 2.87Å
58A86.3Confident91.8Very high18 Ų1856.2 Ų56.215%0.14928%0.284CS..Hα-helixtrans-61.6-43.5176.700000111.3S56 Y60 Q61 Y62S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.31Å; A58-Y60 PolarHBondContact O-N 2.6Å; A58-Q61 PolarHBondContact O-N 3.48Å; A58-Y62 PolarHBondContact O-N 3.19Å
59D89.2Confident92Very high17 Ų1755.1 Ų55.19%0.09128%0.275CS..Hα-helixtrans-60.9-44.2174.9-178.337.9000111.3F54 R55 S56 N57 Q61 Y62 Q63F54-D59 WeakPolarHBondContact CA-OD2 3.24Å; R55-D59 HydrophobicContact CB-CB 4.33Å; R55-D59 PolarHBondContact N-OD2 2.87Å; S56-D59 PolarHBondContact O-N 3.11Å; S56-D59 PolarHBondContact OG-N 3.22Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; N57-D59 VanDerWaalsContact C-N 3.33Å; N57-D59 PolarHBondContact O-N 3.28Å; D59-Q61 PolarHBondContact O-N 3.48Å; D59-Y62 PolarHBondContact O-N 3.18Å; D59-Q63 VanDerWaalsContact O-CG 3.31Å; D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.33Å
60Y92.9Very high92.3Very high42 Ų4250.7 Ų50.717%0.16526%0.26CS..Hα-helixtrans-57.7-46.4173.5175.7-98.2000112.8P50 F54 S56 N57 A58 Y62 Q63 L64P50-Y60 HydrophobicContact CG-CD2 4.29Å; P50-Y60 HydrophobicContact CG-CE2 3.95Å; F54-Y60 HydrophobicContact CD1-CD2 4.14Å; F54-Y60 AromaticContact CD2-CD2 3.66Å; F54-Y60 HydrophobicContact CD2-CD2 3.66Å; F54-Y60 HydrophobicContact CD2-CG 4.48Å; F54-Y60 AromaticContact CE1-CD2 3.99Å; F54-Y60 HydrophobicContact CE1-CD2 3.99Å; F54-Y60 AromaticContact CE2-CD2 3.5Å; F54-Y60 HydrophobicContact CE2-CD2 3.5Å; F54-Y60 AromaticContact CE2-CE2 3.97Å; F54-Y60 HydrophobicContact CE2-CE2 3.97Å; F54-Y60 AromaticContact CG-CD2 3.98Å; F54-Y60 HydrophobicContact CG-CD2 3.98Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.09Å; S56-Y60 PolarHBondContact O-N 3.28Å; N57-Y60 WeakPolarHBondContact O-CB 3.25Å; N57-Y60 PolarHBondContact O-N 3.12Å; A58-Y60 PolarHBondContact O-N 2.6Å; Y60-Y62 VanDerWaalsContact C-N 3.33Å; Y60-Y62 PolarHBondContact O-N 3.16Å; Y60-Q63 PolarHBondContact O-N 3.16Å; Y60-L64 HydrophobicContact CE1-CD2 4.38Å; Y60-L64 WeakPolarHBondContact O-CB 3.17Å; Y60-L64 PolarHBondContact O-N 3.4Å
61Q93.1Very high92.6Very high5 Ų553.3 Ų53.32%0.02327%0.272CS..Hα-helixtrans-63.3-41.4178.7-61.9-52.7-2000111.5N57 A58 D59 L64 L65 L262 Y277N57-Q61 WeakPolarHBondContact O-CG 3.4Å; N57-Q61 PolarHBondContact O-N 2.87Å; A58-Q61 PolarHBondContact O-N 3.48Å; D59-Q61 PolarHBondContact O-N 3.48Å; Q61-L64 PolarHBondContact O-N 3.08Å; Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 PolarHBondContact O-N 3.1Å; Q61-L262 HydrophobicContact CB-CD2 4.04Å; Q61-Y277 VanDerWaalsContact OE1-CB 3.23Å
62Y95.8Very high93.1Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-62.7-46.6175.4178.8-106000111.8A58 D59 Y60 L64 L65 R66 P175 E178 F181A58-Y62 PolarHBondContact O-N 3.19Å; D59-Y62 PolarHBondContact O-N 3.18Å; Y60-Y62 VanDerWaalsContact C-N 3.33Å; Y60-Y62 PolarHBondContact O-N 3.16Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.44Å; Y62-L65 PolarHBondContact O-N 3.24Å; Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 VanDerWaalsContact O-CB 3.29Å; Y62-R66 WeakPolarHBondContact O-CB 3.35Å; Y62-R66 PolarHBondContact O-N 2.91Å; Y62-P175 WeakPolarHBondContact CE1-O 3.34Å; Y62-P175 PolarHBondContact OH-O 3.02Å; Y62-E178 HydrophobicContact CD1-CB 3.7Å; Y62-E178 HydrophobicContact CD1-CG 4.45Å; Y62-E178 HydrophobicContact CD2-CB 4.15Å; Y62-E178 HydrophobicContact CD2-CG 4.04Å; Y62-E178 HydrophobicContact CE1-CB 4.27Å; Y62-E178 HydrophobicContact CG-CB 3.64Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; Y62-F181 HydrophobicContact CD2-CD1 4.42Å; Y62-F181 HydrophobicContact CE2-CB 3.56Å; Y62-F181 AromaticContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD2 4.16Å; Y62-F181 AromaticContact CE2-CG 3.59Å; Y62-F181 HydrophobicContact CE2-CG 3.59Å; Y62-F181 VanDerWaalsContact OH-CB 3.31Å; Y62-F181 WeakPolarHBondContact OH-CB 3.46Å
63Q96.3Very high93.7Very high26 Ų2646.5 Ų46.512%0.12122%0.221CC..Hα-helixtrans-64.9-33.4177.9-64.4-53.5-38.100112.6P50 F54 D59 Y60 R66 C67 E176P50-Q63 HydrophobicContact CB-CB 4.08Å; P50-Q63 HydrophobicContact CG-CB 4.11Å; F54-Q63 HydrophobicContact CD1-CB 4.24Å; F54-Q63 HydrophobicContact CD1-CG 4Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.95Å; D59-Q63 VanDerWaalsContact O-CG 3.31Å; D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.33Å; Y60-Q63 PolarHBondContact O-N 3.16Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.1Å; Q63-C67 PolarHBondContact O-N 2.79Å; Q63-C67 VanDerWaalsContact O-N 3.1Å; Q63-C67 PolarHBondContact O-SG 2.82Å; Q63-C67 VanDerWaalsContact O-SG 3.35Å; Q63-E176 PolarHBondContact NE2-O 3.42Å
64L95.8Very high94.3Very high0 Ų037.4 Ų37.40%018%0.178CC..Hα-helixtrans-65.4-45.9174.4178.465.1000111.3V46 A48 R49 P50 Y60 Q61 Y62 C67 N68 E278V46-L64 HydrophobicContact CG1-CD1 4.24Å; A48-L64 WeakPolarHBondContact O-CD1 3.41Å; R49-L64 HydrophobicContact CG-CD1 4.37Å; P50-L64 HydrophobicContact CG-CB 4.24Å; Y60-L64 HydrophobicContact CE1-CD2 4.38Å; Y60-L64 WeakPolarHBondContact O-CB 3.17Å; Y60-L64 PolarHBondContact O-N 3.4Å; Q61-L64 PolarHBondContact O-N 3.08Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.44Å; L64-C67 PolarHBondContact O-SG 2.85Å; L64-N68 PolarHBondContact O-N 2.84Å; L64-N68 PolarHBondContact O-ND2 2.94Å; L64-E278 HydrophobicContact CD2-CB 4.46Å
65L96.9Very high94.7Very high0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-60.1-52.3172.9176.6163.7000110.9Q61 Y62 C67 N68 V69 G159 Y160 L174 L262Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 PolarHBondContact O-N 3.1Å; Y62-L65 PolarHBondContact O-N 3.24Å; L65-C67 PolarHBondContact O-N 2.75Å; L65-N68 PolarHBondContact O-N 2.79Å; L65-V69 HydrophobicContact CD2-CB 4.44Å; L65-V69 HydrophobicContact CD2-CG2 3.83Å; L65-V69 HydrophobicContact CG-CG2 4.13Å; L65-V69 WeakPolarHBondContact O-CB 3.42Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.79Å; L65-G159 WeakPolarHBondContact CD1-O 3.4Å; L65-Y160 HydrophobicContact CB-CE1 4.33Å; L65-Y160 HydrophobicContact CB-CE2 4.38Å; L65-Y160 HydrophobicContact CG-CD1 4.21Å; L65-Y160 HydrophobicContact CG-CE1 4.25Å; L65-Y160 HydrophobicContact CG-CG 4.35Å; L65-L174 HydrophobicContact CD2-CD1 3.61Å; L65-L262 HydrophobicContact CD1-CD1 3.67Å
66R97.7Very high95.3Very high60 Ų6025.3 Ų25.323%0.22613%0.131CC..Hα-helixtrans-54.2-52.4-174.9-169.5-177.968.585.9-8.5112Y62 Q63 N68 V69 D70 L174 P175Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 VanDerWaalsContact O-CB 3.29Å; Y62-R66 WeakPolarHBondContact O-CB 3.35Å; Y62-R66 PolarHBondContact O-N 2.91Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.1Å; R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 2.91Å; R66-V69 PolarHBondContact O-N 3.22Å; R66-D70 IonicContact NH1-OD2 3.67Å; R66-D70 WeakPolarHBondContact O-CB 3.34Å; R66-D70 VanDerWaalsContact O-CG 3.24Å; R66-D70 PolarHBondContact O-N 3.15Å; R66-L174 HydrophobicContact CG-CB 3.84Å; R66-P175 WeakPolarHBondContact CD-O 3.42Å
67C96.6Very high95.8Very high25 Ų2522.9 Ų22.917%0.16911%0.114CC..Hα-helixtrans-65.2-34.3-17670.30000112.6Q63 L64 L65 L71Q63-C67 PolarHBondContact O-N 2.79Å; Q63-C67 VanDerWaalsContact O-N 3.1Å; Q63-C67 PolarHBondContact O-SG 2.82Å; Q63-C67 VanDerWaalsContact O-SG 3.35Å; L64-C67 PolarHBondContact O-SG 2.85Å; L65-C67 PolarHBondContact O-N 2.75Å; C67-L71 WeakPolarHBondContact O-CB 3.27Å; C67-L71 VanDerWaalsContact O-CD1 3.32Å; C67-L71 WeakPolarHBondContact O-CD1 3.19Å; C67-L71 WeakPolarHBondContact O-CG 3.35Å; C67-L71 PolarHBondContact O-N 2.92Å
68N97.9Very high96.3Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-76.6-46178.2-76.1-81.3000111.7V46 V47 A48 L64 L65 R66 D70 L71 L72 Y160V46-N68 WeakPolarHBondContact CG1-ND2 3.45Å; V47-N68 PolarHBondContact N-OD1 3.28Å; A48-N68 PolarHBondContact N-OD1 2.9Å; A48-N68 PolarHBondContact O-ND2 2.77Å; L64-N68 PolarHBondContact O-N 2.84Å; L64-N68 PolarHBondContact O-ND2 2.94Å; L65-N68 PolarHBondContact O-N 2.79Å; R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 2.91Å; N68-D70 VanDerWaalsContact C-N 3.28Å; N68-D70 PolarHBondContact O-N 2.89Å; N68-L71 PolarHBondContact O-N 3Å; N68-L72 HydrophobicContact CB-CD1 4.22Å; N68-L72 VanDerWaalsContact O-CB 3.25Å; N68-L72 WeakPolarHBondContact O-CB 3.29Å; N68-L72 VanDerWaalsContact O-CG 3.23Å; N68-L72 WeakPolarHBondContact O-CG 3.46Å; N68-L72 PolarHBondContact O-N 3.18Å; N68-Y160 HydrophobicContact CB-CE1 3.96Å
69V98.3Very high96.9Very high0 Ų018 Ų180%09%0.085CC..Hα-helixtrans-59.4-41.11771710000110.9L65 R66 L71 Y160 Y164 K167 L174L65-V69 HydrophobicContact CD2-CB 4.44Å; L65-V69 HydrophobicContact CD2-CG2 3.83Å; L65-V69 HydrophobicContact CG-CG2 4.13Å; L65-V69 WeakPolarHBondContact O-CB 3.42Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.79Å; R66-V69 PolarHBondContact O-N 3.22Å; V69-L71 PolarHBondContact O-N 2.87Å; V69-Y160 HydrophobicContact CG2-CD1 3.7Å; V69-Y160 HydrophobicContact CG2-CE1 4.15Å; V69-Y164 HydrophobicContact CG1-CD1 4.22Å; V69-Y164 HydrophobicContact CG1-CE1 4.43Å; V69-Y164 HydrophobicContact CG1-CG 4.44Å; V69-Y164 HydrophobicContact CG2-CD2 4.32Å; V69-Y164 HydrophobicContact CG2-CE2 4.14Å; V69-K167 HydrophobicContact CG1-CB 4.05Å; V69-K167 HydrophobicContact CG1-CD 3.88Å; V69-K167 VanDerWaalsContact O-CD 3.23Å; V69-K167 WeakPolarHBondContact O-CD 3.2Å; V69-K167 WeakPolarHBondContact O-CE 3.27Å; V69-K167 PolarHBondContact O-NZ 3.26Å; V69-L174 HydrophobicContact CB-CD1 3.88Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.1Å; V69-L174 HydrophobicContact CG2-CD1 4.41Å
70D98.1Very high97.4Very high25 Ų2517.2 Ų17.213%0.1348%0.081CC..Hα-helixtrans-64.2-39.5178.3-74-16000112.3R66 N68 K167 N173 L174R66-D70 IonicContact NH1-OD2 3.67Å; R66-D70 WeakPolarHBondContact O-CB 3.34Å; R66-D70 VanDerWaalsContact O-CG 3.24Å; R66-D70 PolarHBondContact O-N 3.15Å; N68-D70 VanDerWaalsContact C-N 3.28Å; N68-D70 PolarHBondContact O-N 2.89Å; D70-K167 PolarHBondContact O-NZ 3.34Å; D70-N173 VanDerWaalsContact OD1-CA 3.29Å; D70-N173 WeakPolarHBondContact OD1-CA 3.46Å; D70-L174 PolarHBondContact OD1-N 2.8Å
71L97.3Very high97.6Very high83 Ų8315.2 Ų15.244%0.4357%0.073SC..Hα-helixtrans-77.5-35.5-178.6-71.1171.5000113.6A48 C67 N68 V69 M107A48-L71 HydrophobicContact CB-CD1 3.82Å; C67-L71 WeakPolarHBondContact O-CB 3.27Å; C67-L71 VanDerWaalsContact O-CD1 3.32Å; C67-L71 WeakPolarHBondContact O-CD1 3.19Å; C67-L71 WeakPolarHBondContact O-CG 3.35Å; C67-L71 PolarHBondContact O-N 2.92Å; N68-L71 PolarHBondContact O-N 3Å; V69-L71 PolarHBondContact O-N 2.87Å; L71-M107 HydrophobicContact CB-CE 4.02Å; L71-M107 HydrophobicContact CD2-CE 3.94Å; L71-M107 WeakPolarHBondContact O-CE 3.43Å
72L98.1Very high97.9Very high1 Ų115 Ų151%0.0057%0.072CC..  trans-99.8164.8-167.1-59.9175.5000112.2P44 G45 V47 N68 M107 Y164 K167P44-L72 HydrophobicContact CG-CB 3.9Å; P44-L72 HydrophobicContact CG-CD1 4.19Å; P44-L72 HydrophobicContact CG-CD2 4.02Å; P44-L72 HydrophobicContact CG-CG 4.25Å; G45-L72 WeakPolarHBondContact O-CD1 3.44Å; V47-L72 HydrophobicContact CG1-CD1 4.47Å; V47-L72 HydrophobicContact CG1-CD2 4.19Å; V47-L72 HydrophobicContact CG2-CD1 4.2Å; V47-L72 HydrophobicContact CG2-CD2 3.81Å; V47-L72 HydrophobicContact CG2-CG 4.23Å; N68-L72 HydrophobicContact CB-CD1 4.22Å; N68-L72 VanDerWaalsContact O-CB 3.25Å; N68-L72 WeakPolarHBondContact O-CB 3.29Å; N68-L72 VanDerWaalsContact O-CG 3.23Å; N68-L72 WeakPolarHBondContact O-CG 3.46Å; N68-L72 PolarHBondContact O-N 3.18Å; L72-M107 HydrophobicContact CD2-CB 3.86Å; L72-M107 VanDerWaalsContact CD2-O 3.25Å; L72-M107 WeakPolarHBondContact CD2-O 3.29Å; L72-Y164 VanDerWaalsContact CB-OH 3.3Å; L72-Y164 WeakPolarHBondContact CB-OH 3.31Å; L72-K167 PolarHBondContact O-NZ 3.49Å
73K98.4Very high98Very high83 Ų8315.8 Ų15.836%0.3618%0.076SC..  trans-115.5136.1177.5-69.716768.1-168.10109.5P44 F101 D106P44-K73 WeakPolarHBondContact CD-O 3.33Å; K73-F101 HydrophobicContact CB-CD2 4.07Å; K73-F101 HydrophobicContact CB-CE2 4.04Å; K73-D106 HydrophobicContact CD-CB 4.41Å; K73-D106 WeakPolarHBondContact CD-OD1 3.47Å; K73-D106 IonicContact NZ-OD1 3.81Å; K73-D106 PolarHBondContact NZ-OD1 3.01Å; K73-D106 IonicContact NZ-OD2 3.84Å; K73-D106 PolarHBondContact NZ-OD2 3.44Å
74I98.7Very high98.1Very high5 Ų518.2 Ų18.23%0.0269%0.087CC..  trans-59.4146.5171.7-169.9167.5000110.5T41 Q76 L77 F99 T133 Y164 I168T41-I74 HydrophobicContact CG2-CD1 3.8Å; I74-Q76 WeakPolarHBondContact CD1-O 3.39Å; I74-Q76 WeakPolarHBondContact CG1-O 3.3Å; I74-L77 HydrophobicContact CD1-CB 4.28Å; I74-F99 HydrophobicContact CB-CD2 4.44Å; I74-F99 HydrophobicContact CD1-CD2 4.31Å; I74-F99 HydrophobicContact CD1-CE2 3.94Å; I74-F99 HydrophobicContact CG1-CD2 4.05Å; I74-F99 HydrophobicContact CG1-CE2 4.2Å; I74-F99 HydrophobicContact CG2-CB 4.27Å; I74-F99 HydrophobicContact CG2-CD1 4.47Å; I74-F99 HydrophobicContact CG2-CD2 3.68Å; I74-F99 HydrophobicContact CG2-CE2 4.1Å; I74-F99 HydrophobicContact CG2-CG 3.89Å; I74-T133 HydrophobicContact CG2-CG2 3.8Å; I74-Y164 HydrophobicContact CB-CD1 3.9Å; I74-Y164 HydrophobicContact CB-CE1 4.42Å; I74-Y164 HydrophobicContact CB-CG 4.22Å; I74-I168 HydrophobicContact CD1-CD1 4.3Å; I74-I168 HydrophobicContact CG2-CD1 3.75Å
75I98.8Very high98.1Very high0 Ų023.7 Ų23.70%011%0.113CC..  trans-107.9-47.9178.5-63.1166.4000110.3E42 P44 F99 F101 I113 L116 I121 F123 H126E42-I75 WeakPolarHBondContact O-CA 3.48Å; E42-I75 WeakPolarHBondContact O-CB 3.49Å; E42-I75 PolarHBondContact O-N 2.8Å; P44-I75 HydrophobicContact CB-CD1 4.04Å; I75-F99 PolarHBondContact O-N 3.13Å; I75-F101 HydrophobicContact CD1-CD2 4.38Å; I75-F101 HydrophobicContact CD1-CE2 4.28Å; I75-F101 HydrophobicContact CD1-CZ 4.36Å; I75-F101 HydrophobicContact CG1-CB 4.46Å; I75-F101 HydrophobicContact CG1-CD1 4.47Å; I75-F101 HydrophobicContact CG1-CD2 3.65Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.94Å; I75-F101 HydrophobicContact CG1-CZ 4.47Å; I75-I113 HydrophobicContact CD1-CD1 4.3Å; I75-L116 HydrophobicContact CD1-CD1 3.51Å; I75-I121 HydrophobicContact CG2-CG2 4.18Å; I75-F123 HydrophobicContact CD1-CE1 3.94Å; I75-F123 HydrophobicContact CD1-CZ 4.31Å; I75-F123 HydrophobicContact CG2-CE1 4.31Å; I75-H126 PolarHBondContact O-CE1 3.11Å; I75-H126 VanDerWaalsContact O-CE1 3.24Å; I75-H126 PolarHBondContact O-ND1 3.42Å
76Q98.8Very high98.1Very high3 Ų323.9 Ų23.91%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-135.6154.8174.6-68.3-173.3-3100113T41 E42 I74 F97 N98 I121 A227T41-Q76 VanDerWaalsContact CA-O 3.31Å; T41-Q76 WeakPolarHBondContact CA-O 3.45Å; T41-Q76 WeakPolarHBondContact CB-O 3.22Å; E42-Q76 HydrophobicContact CB-CB 3.96Å; E42-Q76 HydrophobicContact CG-CB 4.06Å; E42-Q76 PolarHBondContact N-O 3.1Å; E42-Q76 PolarHBondContact O-N 2.97Å; E42-Q76 VanDerWaalsContact O-N 3.07Å; I74-Q76 WeakPolarHBondContact CD1-O 3.39Å; I74-Q76 WeakPolarHBondContact CG1-O 3.3Å; Q76-F97 WeakPolarHBondContact CA-O 3.34Å; Q76-N98 PolarHBondContact NE2-OD1 3.38Å; Q76-I121 HydrophobicContact CG-CD1 4.03Å; Q76-A227 HydrophobicContact CB-CB 3.91Å
77L98.9Very high98.1Very high1 Ų126.4 Ų26.41%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-130.4131.7164.7170.472.4000108.5M39 T41 I74 L79 F97 F99 F136 L165M39-L77 HydrophobicContact CB-CD1 4.44Å; T41-L77 HydrophobicContact CG2-CD1 3.68Å; I74-L77 HydrophobicContact CD1-CB 4.28Å; L77-L79 HydrophobicContact CD1-CD2 4.05Å; L77-L79 HydrophobicContact CD2-CD1 4.31Å; L77-L79 HydrophobicContact CD2-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CG 4.18Å; L77-L79 HydrophobicContact CG-CD2 4.15Å; L77-L79 HydrophobicContact CG-CG 4.16Å; L77-F97 HydrophobicContact CB-CB 4.33Å; L77-F97 HydrophobicContact CD2-CD2 4.3Å; L77-F97 HydrophobicContact CG-CD2 4.4Å; L77-F97 PolarHBondContact N-O 2.76Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 2.69Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.1Å; L77-F136 HydrophobicContact CD2-CE1 3.87Å; L77-F136 HydrophobicContact CD2-CE2 4.34Å; L77-F136 HydrophobicContact CD2-CZ 3.42Å; L77-F136 VanDerWaalsContact CD2-CZ 3.42Å; L77-L165 HydrophobicContact CD1-CD1 4.47Å; L77-L165 HydrophobicContact CD1-CD2 4.1Å; L77-L165 HydrophobicContact CD2-CD2 3.94Å
78G98.8Very high98.1Very high0 Ų026.9 Ų26.90%013%0.128CC..EExtended strand (participates in β ladder)trans-106.7132.5172.700000110M39 D40 W95 A227M39-G78 WeakPolarHBondContact CA-O 3.23Å; M39-G78 WeakPolarHBondContact CB-O 3.38Å; D40-G78 PolarHBondContact N-O 3.33Å; D40-G78 PolarHBondContact O-N 3.5Å; G78-W95 CarbonylContact C-O 3.52Å; G78-W95 WeakPolarHBondContact CA-O 3.29Å; G78-A227 WeakPolarHBondContact CA-O 3.39Å
79L98.9Very high98Very high2 Ų227.1 Ų27.11%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-127.7118.5172.6-60.7-178000109.7V37 A38 M39 L77 F81 T94 W95 F97 W153V37-L79 HydrophobicContact CG1-CB 4.3Å; V37-L79 HydrophobicContact CG1-CD2 3.97Å; A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.32Å; M39-L79 HydrophobicContact CB-CD2 3.65Å; L77-L79 HydrophobicContact CD1-CD2 4.05Å; L77-L79 HydrophobicContact CD2-CD1 4.31Å; L77-L79 HydrophobicContact CD2-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CG 4.18Å; L77-L79 HydrophobicContact CG-CD2 4.15Å; L77-L79 HydrophobicContact CG-CG 4.16Å; L79-F81 HydrophobicContact CB-CE2 3.73Å; L79-F81 HydrophobicContact CB-CZ 4.16Å; L79-F81 HydrophobicContact CD1-CZ 4.31Å; L79-T94 CarbonylContact O-C 3.57Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.45Å; L79-W95 PolarHBondContact N-O 3.21Å; L79-W95 PolarHBondContact O-N 2.82Å; L79-F97 HydrophobicContact CB-CE2 4.33Å; L79-F97 HydrophobicContact CD1-CE2 3.75Å; L79-F97 HydrophobicContact CD1-CZ 4.38Å; L79-F97 HydrophobicContact CG-CE2 4Å; L79-W153 HydrophobicContact CD2-CH2 4.24Å; L79-W153 HydrophobicContact CD2-CZ3 4.15Å
80T98.8Very high97.7Very high0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-110.4128.1174-680000110.3V37 A38 M82 Y88 S93 T94 S231 L232V37-T80 CarbonylContact C-O 2.97Å; V37-T80 WeakPolarHBondContact CA-O 3.43Å; A38-T80 PolarHBondContact N-O 3.27Å; A38-T80 PolarHBondContact O-N 3.42Å; T80-M82 HydrophobicContact CG2-CE 4.15Å; T80-M82 HydrophobicContact CG2-CG 4.47Å; T80-M82 HydrophobicContact CG2-SD 4.4Å; T80-Y88 HydrophobicContact CG2-CD1 4.24Å; T80-Y88 HydrophobicContact CG2-CE1 3.85Å; T80-S93 WeakPolarHBondContact CA-O 2.92Å; T80-T94 WeakPolarHBondContact OG1-CB 3.37Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.42Å; T80-T94 PolarHBondContact OG1-OG1 2.89Å; T80-S231 PolarHBondContact OG1-OG 3.17Å; T80-L232 HydrophobicContact CG2-CB 4.49Å; T80-L232 HydrophobicContact CG2-CD1 3.61Å; T80-L232 WeakPolarHBondContact OG1-CA 3.37Å; T80-L232 PolarHBondContact OG1-N 3.28Å
81F98.6Very high97.4Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-105132.3-176.3-63.6-101.2000111.3I27 V30 I31 Y36 V37 L79 P89 S93 W95 V145I27-F81 HydrophobicContact CB-CZ 4.39Å; I27-F81 HydrophobicContact CD1-CE2 4.36Å; I27-F81 HydrophobicContact CD1-CZ 4.4Å; I27-F81 HydrophobicContact CG1-CE2 4.13Å; I27-F81 HydrophobicContact CG1-CZ 4.14Å; I27-F81 HydrophobicContact CG2-CE1 3.91Å; I27-F81 HydrophobicContact CG2-CE2 4.33Å; I27-F81 HydrophobicContact CG2-CZ 3.5Å; V30-F81 HydrophobicContact CG1-CB 3.63Å; V30-F81 HydrophobicContact CG1-CD1 4.01Å; V30-F81 HydrophobicContact CG1-CG 3.81Å; I31-F81 HydrophobicContact CB-CE1 4.37Å; I31-F81 HydrophobicContact CD1-CD1 4.06Å; I31-F81 HydrophobicContact CD1-CE1 3.87Å; Y36-F81 CarbonylContact O-C 3.49Å; Y36-F81 WeakPolarHBondContact O-CA 2.93Å; V37-F81 HydrophobicContact CG1-CE1 4.27Å; V37-F81 HydrophobicContact CG1-CZ 4.33Å; V37-F81 HydrophobicContact CG2-CD1 3.8Å; V37-F81 HydrophobicContact CG2-CE1 3.72Å; L79-F81 HydrophobicContact CB-CE2 3.73Å; L79-F81 HydrophobicContact CB-CZ 4.16Å; L79-F81 HydrophobicContact CD1-CZ 4.31Å; F81-P89 HydrophobicContact CB-CG 4.46Å; F81-P89 WeakPolarHBondContact O-CD 3.4Å; F81-S93 PolarHBondContact N-O 3.41Å; F81-W95 AromaticContact CD2-CE3 3.52Å; F81-W95 HydrophobicContact CD2-CE3 3.52Å; F81-W95 AromaticContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CD2-CZ3 3.43Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CE2-CD2 4.5Å; F81-W95 AromaticContact CE2-CE3 3.54Å; F81-W95 HydrophobicContact CE2-CE3 3.54Å; F81-W95 AromaticContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CG-CZ3 4.29Å; F81-V145 HydrophobicContact CE1-CG2 4.4Å
82M98.6Very high97.3Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-139.1162.3177.8-64.5154.2-67.800110.2Y34 N35 Y36 A38 T80 E87 Y88 L154 F239Y34-M82 CarbonylContact C-O 3.59Å; Y34-M82 WeakPolarHBondContact CA-O 3.45Å; Y34-M82 WeakPolarHBondContact CB-O 3.41Å; N35-M82 PolarHBondContact N-O 2.79Å; N35-M82 VanDerWaalsContact N-O 3.16Å; Y36-M82 WeakPolarHBondContact CB-O 3.45Å; Y36-M82 PolarHBondContact N-O 2.79Å; Y36-M82 PolarHBondContact O-N 3.24Å; A38-M82 HydrophobicContact CB-CE 3.69Å; T80-M82 HydrophobicContact CG2-CE 4.15Å; T80-M82 HydrophobicContact CG2-CG 4.47Å; T80-M82 HydrophobicContact CG2-SD 4.4Å; M82-E87 CarbonylContact C-O 3.51Å; M82-E87 VanDerWaalsContact CA-O 3.23Å; M82-E87 WeakPolarHBondContact CA-O 3.49Å; M82-Y88 HydrophobicContact CG-CD1 3.62Å; M82-Y88 HydrophobicContact CG-CE1 3.45Å; M82-Y88 VanDerWaalsContact CG-CE1 3.45Å; M82-Y88 HydrophobicContact CG-CG 4.43Å; M82-Y88 HydrophobicContact SD-CE1 3.78Å; M82-L154 HydrophobicContact CE-CD1 3.86Å; M82-F239 HydrophobicContact CB-CE2 3.82Å; M82-F239 HydrophobicContact CB-CZ 4.3Å; M82-F239 HydrophobicContact CE-CE2 4.04Å; M82-F239 HydrophobicContact CG-CE2 4.24Å; M82-F239 HydrophobicContact SD-CD2 3.75Å; M82-F239 HydrophobicContact SD-CE2 3.55Å; M82-F239 VanDerWaalsContact SD-CE2 3.55Å
83N98.1Very high97.3Very high17 Ų1730.6 Ų30.69%0.09116%0.163CC..  trans-96.5-177.5170.569.610.3000111.1Y34 Q85 G86 E87 F239Y34-N83 HydrophobicContact CD1-CB 3.85Å; Y34-N83 HydrophobicContact CE1-CB 4.2Å; N83-Q85 PolarHBondContact O-N 3.39Å; N83-Q85 VanDerWaalsContact O-N 3.1Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.42Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.49Å; N83-Q85 PolarHBondContact OD1-N 3.41Å; N83-G86 PolarHBondContact O-N 2.99Å; N83-G86 PolarHBondContact OD1-N 3.12Å; N83-E87 PolarHBondContact N-O 3.2Å; N83-E87 PolarHBondContact ND2-OE2 2.76Å; N83-E87 WeakPolarHBondContact OD1-CB 3.36Å; N83-E87 PolarHBondContact OD1-N 2.84Å; N83-F239 WeakPolarHBondContact O-CZ 3.42Å
84E97.9Very high97.3Very high77 Ų7726.6 Ų26.636%0.3615%0.146SC..THydrogen-bonded Turntrans-55.8-25.8178.1-176.662.1-121.200113.9Y36 R242Y36-E84 HydrophobicContact CE2-CB 4.28Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.26Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.49Å; Y36-E84 PolarHBondContact OH-OE1 3.4Å; Y36-E84 PolarHBondContact OH-OE2 3.23Å; E84-R242 PolarHBondContact O-NH1 3.42Å; E84-R242 PolarHBondContact O-NH2 2.91Å; E84-R242 IonicContact OE1-CZ 3.83Å; E84-R242 IonicContact OE1-NH1 2.69Å; E84-R242 PolarHBondContact OE1-NH1 3.33Å
85Q97.1Very high97.3Very high115 Ų11526.5 Ų26.554%0.53715%0.145SC..THydrogen-bonded Turntrans-90-1.3179.3-68.968.448.800112.6N83 E87N83-Q85 PolarHBondContact O-N 3.39Å; N83-Q85 VanDerWaalsContact O-N 3.1Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.42Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.49Å; N83-Q85 PolarHBondContact OD1-N 3.41Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 HydrophobicContact CB-CG 3.94Å
86G96.5Very high97.3Very high4 Ų426.6 Ų26.64%0.04115%0.145CC..SBendtrans76.517-173.500000113.6N83 F239N83-G86 PolarHBondContact O-N 2.99Å; N83-G86 PolarHBondContact OD1-N 3.12Å; G86-F239 VanDerWaalsContact N-CE1 3.32Å
87E96.7Very high97.3Very high113 Ų11326.4 Ų26.453%0.52815%0.145SC..PPolyproline II helixtrans-87146.6176.8-51.617014600110.5Y34 M82 N83 Q85Y34-E87 WeakPolarHBondContact CD1-O 3.43Å; Y34-E87 WeakPolarHBondContact CE1-O 3.45Å; M82-E87 CarbonylContact C-O 3.51Å; M82-E87 VanDerWaalsContact CA-O 3.23Å; M82-E87 WeakPolarHBondContact CA-O 3.49Å; N83-E87 PolarHBondContact N-O 3.2Å; N83-E87 PolarHBondContact ND2-OE2 2.76Å; N83-E87 WeakPolarHBondContact OD1-CB 3.36Å; N83-E87 PolarHBondContact OD1-N 2.84Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 HydrophobicContact CB-CG 3.94Å
88Y96.6Very high97.3Very high35 Ų3526.5 Ų26.514%0.13715%0.145CC..PPolyproline II helixtrans-93.1155.8-176.6-58.3-85.1000112Q10 Y34 T80 M82 L232 M236Q10-Y88 HydrophobicContact CG-CD2 4.47Å; Q10-Y88 HydrophobicContact CG-CG 4.47Å; Y34-Y88 VanDerWaalsContact CE1-O 3.28Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.26Å; Y34-Y88 PolarHBondContact OH-O 3.42Å; T80-Y88 HydrophobicContact CG2-CD1 4.24Å; T80-Y88 HydrophobicContact CG2-CE1 3.85Å; M82-Y88 HydrophobicContact CG-CD1 3.62Å; M82-Y88 HydrophobicContact CG-CE1 3.45Å; M82-Y88 VanDerWaalsContact CG-CE1 3.45Å; M82-Y88 HydrophobicContact CG-CG 4.43Å; M82-Y88 HydrophobicContact SD-CE1 3.78Å; Y88-L232 HydrophobicContact CD1-CD1 4.43Å; Y88-L232 HydrophobicContact CE1-CD1 3.61Å; Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.41Å
89P95.9Very high97.3Very high6 Ų626.5 Ų26.54%0.03915%0.145CC..PPolyproline II helixtrans-62.8146.1168.529.5-37.1000111.1V30 Y34 F81 G91 T92V30-P89 HydrophobicContact CG1-CB 3.98Å; V30-P89 HydrophobicContact CG1-CG 3.88Å; V30-P89 HydrophobicContact CG2-CB 4.3Å; Y34-P89 HydrophobicContact CD1-CB 4.37Å; Y34-P89 HydrophobicContact CD2-CB 3.77Å; Y34-P89 HydrophobicContact CE1-CB 4.29Å; Y34-P89 VanDerWaalsContact CE1-N 3.29Å; Y34-P89 HydrophobicContact CE2-CB 3.65Å; Y34-P89 HydrophobicContact CG-CB 4.15Å; Y34-P89 HydrophobicContact CG-CG 4.48Å; F81-P89 HydrophobicContact CB-CG 4.46Å; F81-P89 WeakPolarHBondContact O-CD 3.4Å; P89-G91 PolarHBondContact O-N 2.84Å; P89-T92 WeakPolarHBondContact CG-O 3.39Å
90P92.3Very high97.3Very high116 Ų11630 Ų3075%0.75316%0.16SC*.SBendtrans-63.8127177.226.7-34.1000110.5
91G91.4Very high97.3Very high28 Ų2830 Ų3029%0.28916%0.16SC..SBendtrans94-114.5-179.700000112.6P89P89-G91 PolarHBondContact O-N 2.84Å
92T95.8Very high97.3Very high36 Ų3631 Ų3122%0.22117%0.165CC..EExtended strand (participates in β ladder)trans-79.9121.2179.2-57.50000109.8C13 P89 T94 W95C13-T92 HydrophobicContact CB-CG2 3.44Å; C13-T92 VanDerWaalsContact CB-CG2 3.44Å; P89-T92 WeakPolarHBondContact CG-O 3.39Å; T92-T94 WeakPolarHBondContact CG2-O 3.18Å; T92-W95 HydrophobicContact CG2-CD2 3.91Å; T92-W95 HydrophobicContact CG2-CE3 4.2Å; T92-W95 HydrophobicContact CG2-CH2 3.84Å; T92-W95 HydrophobicContact CG2-CZ2 3.52Å; T92-W95 HydrophobicContact CG2-CZ3 4.16Å; T92-W95 WeakPolarHBondContact O-CH2 3.18Å
93S96.8Very high97.2Very high1 Ų133.9 Ų33.91%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-106.1-24.2175.259.50000113.6T80 F81T80-S93 WeakPolarHBondContact CA-O 2.92Å; F81-S93 PolarHBondContact N-O 3.41Å
94T98.6Very high97.2Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-129.3131.5-170.5-570000109.6I12 C13 L79 T80 T92 G228I12-T94 CarbonylContact C-O 3.57Å; I12-T94 WeakPolarHBondContact CA-O 3.36Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 3.94Å; I12-T94 HydrophobicContact CG2-CG2 4.31Å; C13-T94 PolarHBondContact N-O 2.86Å; L79-T94 CarbonylContact O-C 3.57Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.45Å; T80-T94 WeakPolarHBondContact OG1-CB 3.37Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.42Å; T80-T94 PolarHBondContact OG1-OG1 2.89Å; T92-T94 WeakPolarHBondContact CG2-O 3.18Å; T94-G228 VanDerWaalsContact CG2-O 3.3Å; T94-G228 WeakPolarHBondContact CG2-O 3.47Å
95W98.8Very high97.1Very high3 Ų343 Ų431%0.01123%0.232CC..EExtended strand (participates in β ladder)trans-115.5129.3175-74.6-94.9000109.5C13 V15 E23 K26 I27 V30 G78 L79 F81 T92 F97C13-W95 HydrophobicContact CB-CG 4.48Å; V15-W95 HydrophobicContact CG2-CB 4.09Å; V15-W95 HydrophobicContact CG2-CG 4.27Å; E23-W95 PolarHBondContact OE2-NE1 3.29Å; K26-W95 HydrophobicContact CB-CZ2 4.34Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.84Å; I27-W95 HydrophobicContact CD1-CE3 4.34Å; I27-W95 HydrophobicContact CD1-CG 3.8Å; I27-W95 HydrophobicContact CG1-CD2 3.78Å; I27-W95 HydrophobicContact CG1-CE3 4.04Å; I27-W95 HydrophobicContact CG1-CG 4.27Å; I27-W95 HydrophobicContact CG1-CH2 4.35Å; I27-W95 HydrophobicContact CG1-CZ2 4.09Å; I27-W95 HydrophobicContact CG1-CZ3 4.32Å; V30-W95 HydrophobicContact CG2-CH2 4.06Å; G78-W95 CarbonylContact C-O 3.52Å; G78-W95 WeakPolarHBondContact CA-O 3.29Å; L79-W95 PolarHBondContact N-O 3.21Å; L79-W95 PolarHBondContact O-N 2.82Å; F81-W95 AromaticContact CD2-CE3 3.52Å; F81-W95 HydrophobicContact CD2-CE3 3.52Å; F81-W95 AromaticContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CD2-CZ3 3.43Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CE2-CD2 4.5Å; F81-W95 AromaticContact CE2-CE3 3.54Å; F81-W95 HydrophobicContact CE2-CE3 3.54Å; F81-W95 AromaticContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CG-CZ3 4.29Å; T92-W95 HydrophobicContact CG2-CD2 3.91Å; T92-W95 HydrophobicContact CG2-CE3 4.2Å; T92-W95 HydrophobicContact CG2-CH2 3.84Å; T92-W95 HydrophobicContact CG2-CZ2 3.52Å; T92-W95 HydrophobicContact CG2-CZ3 4.16Å; T92-W95 WeakPolarHBondContact O-CH2 3.18Å; W95-F97 HydrophobicContact CB-CD2 4.33Å; W95-F97 HydrophobicContact CB-CE2 3.62Å; W95-F97 HydrophobicContact CB-CZ 3.95Å
96Q98.8Very high97.2Very high1 Ų138.9 Ų38.91%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-109.9104175.4-178.6163.3-75.800108.7I12 C13 E14 V15 N98I12-Q96 HydrophobicContact CG2-CB 3.85Å; C13-Q96 PolarHBondContact O-N 3.1Å; E14-Q96 PolarHBondContact OE1-NE2 2.81Å; E14-Q96 PolarHBondContact OE2-NE2 2.92Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.1Å; V15-Q96 PolarHBondContact N-O 2.88Å; Q96-N98 PolarHBondContact O-ND2 2.89Å
97F98.9Very high97.2Very high0 Ų043.5 Ų43.50%024%0.235CC..EExtended strand (participates in β ladder)trans-84.7123.8178.9-59.8-93.6000109.7V15 L20 M24 I27 Q76 L77 L79 W95 F99 I131 F136V15-F97 HydrophobicContact CB-CD1 3.78Å; V15-F97 HydrophobicContact CB-CE1 4.18Å; V15-F97 HydrophobicContact CB-CG 4.31Å; V15-F97 HydrophobicContact CG1-CD1 3.82Å; V15-F97 HydrophobicContact CG1-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CD1 4.09Å; V15-F97 HydrophobicContact CG2-CE1 4.1Å; V15-F97 HydrophobicContact CG2-CG 4.49Å; V15-F97 HydrophobicContact CG2-CZ 4.5Å; L20-F97 HydrophobicContact CD1-CD1 3.94Å; L20-F97 HydrophobicContact CD1-CE1 3.89Å; M24-F97 HydrophobicContact CG-CE1 4.5Å; M24-F97 HydrophobicContact SD-CE1 3.81Å; M24-F97 HydrophobicContact SD-CZ 3.89Å; I27-F97 HydrophobicContact CD1-CE1 4.48Å; I27-F97 HydrophobicContact CD1-CE2 4.33Å; I27-F97 HydrophobicContact CD1-CZ 3.55Å; Q76-F97 WeakPolarHBondContact CA-O 3.34Å; L77-F97 HydrophobicContact CB-CB 4.33Å; L77-F97 HydrophobicContact CD2-CD2 4.3Å; L77-F97 HydrophobicContact CG-CD2 4.4Å; L77-F97 PolarHBondContact N-O 2.76Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 2.69Å; L79-F97 HydrophobicContact CB-CE2 4.33Å; L79-F97 HydrophobicContact CD1-CE2 3.75Å; L79-F97 HydrophobicContact CD1-CZ 4.38Å; L79-F97 HydrophobicContact CG-CE2 4Å; W95-F97 HydrophobicContact CB-CD2 4.33Å; W95-F97 HydrophobicContact CB-CE2 3.62Å; W95-F97 HydrophobicContact CB-CZ 3.95Å; F97-F99 HydrophobicContact CB-CE2 4.09Å; F97-F99 HydrophobicContact CB-CZ 3.99Å; F97-I131 HydrophobicContact CB-CD1 3.97Å; F97-I131 HydrophobicContact CD1-CD1 3.97Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; F97-F136 AromaticContact CD1-CD2 3.99Å; F97-F136 HydrophobicContact CD1-CD2 3.99Å; F97-F136 AromaticContact CD1-CE2 3.67Å; F97-F136 HydrophobicContact CD1-CE2 3.67Å; F97-F136 HydrophobicContact CD2-CE2 4.37Å; F97-F136 HydrophobicContact CE1-CD2 4.21Å; F97-F136 AromaticContact CE1-CE2 3.7Å; F97-F136 HydrophobicContact CE1-CE2 3.7Å; F97-F136 HydrophobicContact CE2-CE2 4.4Å; F97-F136 HydrophobicContact CG-CE2 4.01Å; F97-F136 HydrophobicContact CZ-CE2 4.07Å
98N98.9Very high97.2Very high2 Ų241.8 Ų41.81%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-105.2110.7-179.2-62.1-78.7000109.6E14 V15 W16 Q76 Q96 G130 I131E14-N98 PolarHBondContact OE2-ND2 3.47Å; V15-N98 WeakPolarHBondContact O-CB 3.36Å; V15-N98 PolarHBondContact O-N 3.45Å; V15-N98 PolarHBondContact O-ND2 3.03Å; V15-N98 VanDerWaalsContact O-ND2 3.15Å; W16-N98 HydrophobicContact CD2-CB 3.84Å; W16-N98 HydrophobicContact CE3-CB 3.56Å; W16-N98 HydrophobicContact CH2-CB 3.49Å; W16-N98 VanDerWaalsContact CH2-CB 3.49Å; W16-N98 HydrophobicContact CZ2-CB 3.77Å; W16-N98 VanDerWaalsContact CZ2-CG 3.43Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.13Å; W16-N98 HydrophobicContact CZ3-CB 3.38Å; Q76-N98 PolarHBondContact NE2-OD1 3.38Å; Q96-N98 PolarHBondContact O-ND2 2.89Å; N98-G130 WeakPolarHBondContact O-CA 3.48Å; N98-I131 WeakPolarHBondContact O-CB 3.13Å; N98-I131 WeakPolarHBondContact O-CG1 3.28Å; N98-I131 PolarHBondContact O-N 2.81Å
99F98.9Very high97.2Very high0 Ų041 Ų410%022%0.224CC..BIsolated β-bridgetrans-90.1155.8-174.6-63.9-76.6000112.9I74 I75 L77 F97 F101 H126 I131 T133 F136I74-F99 HydrophobicContact CB-CD2 4.44Å; I74-F99 HydrophobicContact CD1-CD2 4.31Å; I74-F99 HydrophobicContact CD1-CE2 3.94Å; I74-F99 HydrophobicContact CG1-CD2 4.05Å; I74-F99 HydrophobicContact CG1-CE2 4.2Å; I74-F99 HydrophobicContact CG2-CB 4.27Å; I74-F99 HydrophobicContact CG2-CD1 4.47Å; I74-F99 HydrophobicContact CG2-CD2 3.68Å; I74-F99 HydrophobicContact CG2-CE2 4.1Å; I74-F99 HydrophobicContact CG2-CG 3.89Å; I75-F99 PolarHBondContact O-N 3.13Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.1Å; F97-F99 HydrophobicContact CB-CE2 4.09Å; F97-F99 HydrophobicContact CB-CZ 3.99Å; F99-F101 PolarHBondContact O-N 3.47Å; F99-H126 PolarHBondContact O-ND1 3.13Å; F99-I131 WeakPolarHBondContact CA-O 3.38Å; F99-I131 HydrophobicContact CD1-CB 3.88Å; F99-I131 HydrophobicContact CD1-CG2 3.9Å; F99-I131 HydrophobicContact CE1-CB 4.3Å; F99-I131 HydrophobicContact CE1-CG2 3.95Å; F99-T133 HydrophobicContact CB-CG2 4.48Å; F99-T133 HydrophobicContact CD1-CG2 3.67Å; F99-T133 HydrophobicContact CE1-CG2 4.16Å; F99-T133 HydrophobicContact CG-CG2 4.18Å; F99-F136 HydrophobicContact CE1-CB 3.96Å; F99-F136 AromaticContact CE1-CD1 3.93Å; F99-F136 HydrophobicContact CE1-CD1 3.93Å; F99-F136 HydrophobicContact CE1-CD2 4.27Å; F99-F136 AromaticContact CE1-CG 3.78Å; F99-F136 HydrophobicContact CE1-CG 3.78Å; F99-F136 HydrophobicContact CZ-CD1 4Å; F99-F136 HydrophobicContact CZ-CD2 4.39Å; F99-F136 HydrophobicContact CZ-CE1 4.16Å; F99-F136 HydrophobicContact CZ-CG 4.13Å; F99-F136 HydrophobicContact CZ-CZ 4.45Å
100K98.8Very high97.1Very high75 Ų7545.3 Ų45.333%0.32624%0.244SC..  trans-65.6123.6177.7-176.8172.2-76.3171.10111.6H126 E127 I131 E132K100-H126 WeakPolarHBondContact CA-O 3.22Å; K100-E127 WeakPolarHBondContact CE-O 3.45Å; K100-I131 PolarHBondContact N-O 3.3Å; K100-E132 WeakPolarHBondContact CD-OE1 3.19Å; K100-E132 VanDerWaalsContact CE-OE1 3.29Å; K100-E132 WeakPolarHBondContact CE-OE1 3.26Å; K100-E132 IonicContact NZ-OE1 2.87Å; K100-E132 PolarHBondContact NZ-OE1 3.29Å
101F98.7Very high97.2Very high0 Ų045.9 Ų45.90%024%0.241CC..  trans-143.5135.2-179.9-161.3-91.3000110.5P44 K73 I75 F99 L103 D106 Y108 I113 F123 H126 E127P44-F101 HydrophobicContact CB-CE2 4.24Å; P44-F101 HydrophobicContact CB-CZ 3.84Å; P44-F101 HydrophobicContact CG-CE2 3.91Å; P44-F101 HydrophobicContact CG-CZ 3.96Å; K73-F101 HydrophobicContact CB-CD2 4.07Å; K73-F101 HydrophobicContact CB-CE2 4.04Å; I75-F101 HydrophobicContact CD1-CD2 4.38Å; I75-F101 HydrophobicContact CD1-CE2 4.28Å; I75-F101 HydrophobicContact CD1-CZ 4.36Å; I75-F101 HydrophobicContact CG1-CB 4.46Å; I75-F101 HydrophobicContact CG1-CD1 4.47Å; I75-F101 HydrophobicContact CG1-CD2 3.65Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.94Å; I75-F101 HydrophobicContact CG1-CZ 4.47Å; F99-F101 PolarHBondContact O-N 3.47Å; F101-L103 HydrophobicContact CD1-CD2 4.37Å; F101-L103 HydrophobicContact CE1-CD2 4Å; F101-D106 WeakPolarHBondContact CA-OD2 3.47Å; F101-D106 HydrophobicContact CD2-CB 4.39Å; F101-D106 HydrophobicContact CE1-CB 4.14Å; F101-D106 HydrophobicContact CE2-CB 3.91Å; F101-D106 HydrophobicContact CZ-CB 3.76Å; F101-Y108 HydrophobicContact CE1-CD1 4.46Å; F101-I113 HydrophobicContact CE1-CD1 4.17Å; F101-F123 AromaticContact CD1-CD1 3.94Å; F101-F123 HydrophobicContact CD1-CD1 3.94Å; F101-F123 AromaticContact CD1-CE1 3.96Å; F101-F123 HydrophobicContact CD1-CE1 3.96Å; F101-F123 HydrophobicContact CE1-CE1 4.33Å; F101-H126 HydrophobicContact CB-CB 4.22Å; F101-E127 VanDerWaalsContact O-CA 3.31Å; F101-E127 WeakPolarHBondContact O-CA 3.17Å; F101-E127 WeakPolarHBondContact O-CB 3.44Å; F101-E127 PolarHBondContact O-N 3.16Å
102N98.3Very high97.3Very high22 Ų2244.7 Ų44.712%0.11823%0.228CC..  trans-124.1111.8-177.5-170-37.8000110.6T104 E105 D106 E127N102-T104 PolarHBondContact O-N 3.32Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.21Å; N102-T104 VanDerWaalsContact OD1-CB 3.26Å; N102-T104 WeakPolarHBondContact OD1-CB 3.33Å; N102-T104 PolarHBondContact OD1-N 3.32Å; N102-T104 PolarHBondContact OD1-OG1 3.45Å; N102-E105 HydrophobicContact CB-CB 4.25Å; N102-E105 PolarHBondContact O-N 3.49Å; N102-E105 PolarHBondContact OD1-N 3.28Å; N102-D106 PolarHBondContact N-OD2 3.32Å; N102-D106 VanDerWaalsContact O-CB 3.29Å; N102-D106 WeakPolarHBondContact O-CB 3.31Å; N102-D106 PolarHBondContact O-N 3.06Å; N102-E127 HydrophobicContact CB-CG 4.36Å; N102-E127 PolarHBondContact ND2-OE1 3.06Å
103L97.7Very high97.3Very high61 Ų6143.4 Ų43.432%0.31922%0.22SC..THydrogen-bonded Turntrans-65.3-13179.3-68.7175000114.5F101 Y108 I113 F123F101-L103 HydrophobicContact CD1-CD2 4.37Å; F101-L103 HydrophobicContact CE1-CD2 4Å; L103-Y108 HydrophobicContact CB-CE1 4.49Å; L103-Y108 HydrophobicContact CD2-CD1 4.2Å; L103-Y108 HydrophobicContact CD2-CE1 4.02Å; L103-Y108 WeakPolarHBondContact O-CE1 3.34Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CD1 3.83Å; L103-I113 HydrophobicContact CD2-CG1 3.97Å; L103-I113 HydrophobicContact CD2-CG2 3.71Å; L103-F123 HydrophobicContact CD1-CB 3.6Å; L103-F123 HydrophobicContact CD1-CD1 4.28Å; L103-F123 HydrophobicContact CD1-CD2 4.08Å; L103-F123 HydrophobicContact CD1-CG 3.72Å; L103-F123 HydrophobicContact CD2-CD1 4.01Å; L103-F123 HydrophobicContact CD2-CE1 4.24Å; L103-F123 HydrophobicContact CD2-CG 4.23Å; L103-F123 HydrophobicContact CG-CB 4.06Å; L103-F123 HydrophobicContact CG-CD1 4.07Å; L103-F123 HydrophobicContact CG-CG 4.02Å
104T97.5Very high97.3Very high130 Ų13048.3 Ų48.380%0.79824%0.243SC*.THydrogen-bonded Turntrans-89.2-30.9177-49.70000111.9N102N102-T104 PolarHBondContact O-N 3.32Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.21Å; N102-T104 VanDerWaalsContact OD1-CB 3.26Å; N102-T104 WeakPolarHBondContact OD1-CB 3.33Å; N102-T104 PolarHBondContact OD1-N 3.32Å; N102-T104 PolarHBondContact OD1-OG1 3.45Å
105E96.4Very high97.1Very high156 Ų15650.9 Ų50.973%0.72926%0.256SS*.THydrogen-bonded Turntrans-110-38.5-170.9-61-174.7167.100113.2N102N102-E105 HydrophobicContact CB-CB 4.25Å; N102-E105 PolarHBondContact O-N 3.49Å; N102-E105 PolarHBondContact OD1-N 3.28Å
106D97.9Very high97Very high27 Ų2750.8 Ų50.814%0.14426%0.256CS..SBendtrans-83.3144.8-173-63.5-40.4000111.4K73 F101 N102 Y108K73-D106 HydrophobicContact CD-CB 4.41Å; K73-D106 WeakPolarHBondContact CD-OD1 3.47Å; K73-D106 IonicContact NZ-OD1 3.81Å; K73-D106 PolarHBondContact NZ-OD1 3.01Å; K73-D106 IonicContact NZ-OD2 3.84Å; K73-D106 PolarHBondContact NZ-OD2 3.44Å; F101-D106 WeakPolarHBondContact CA-OD2 3.47Å; F101-D106 HydrophobicContact CD2-CB 4.39Å; F101-D106 HydrophobicContact CE1-CB 4.14Å; F101-D106 HydrophobicContact CE2-CB 3.91Å; F101-D106 HydrophobicContact CZ-CB 3.76Å; N102-D106 PolarHBondContact N-OD2 3.32Å; N102-D106 VanDerWaalsContact O-CB 3.29Å; N102-D106 WeakPolarHBondContact O-CB 3.31Å; N102-D106 PolarHBondContact O-N 3.06Å; D106-Y108 VanDerWaalsContact O-CD1 3.23Å; D106-Y108 WeakPolarHBondContact O-CD1 3.42Å
107M97.3Very high96.9Very high102 Ų10254.2 Ų54.250%0.50228%0.277SS..  trans-75.7143.3176.1-69.8179.3-72.400111.1L71 L72L71-M107 HydrophobicContact CB-CE 4.02Å; L71-M107 HydrophobicContact CD2-CE 3.94Å; L71-M107 WeakPolarHBondContact O-CE 3.43Å; L72-M107 HydrophobicContact CD2-CB 3.86Å; L72-M107 VanDerWaalsContact CD2-O 3.25Å; L72-M107 WeakPolarHBondContact CD2-O 3.29Å
108Y97.2Very high96.7Very high77 Ų7760.1 Ų60.130%0.30231%0.313SS..  trans-159.2161178.159-97.8000113.3P44 F101 L103 D106 I113P44-Y108 VanDerWaalsContact CB-CB 3.45Å; F101-Y108 HydrophobicContact CE1-CD1 4.46Å; L103-Y108 HydrophobicContact CB-CE1 4.49Å; L103-Y108 HydrophobicContact CD2-CD1 4.2Å; L103-Y108 HydrophobicContact CD2-CE1 4.02Å; L103-Y108 WeakPolarHBondContact O-CE1 3.34Å; D106-Y108 VanDerWaalsContact O-CD1 3.23Å; D106-Y108 WeakPolarHBondContact O-CD1 3.42Å; Y108-I113 HydrophobicContact CD1-CG1 4.3Å; Y108-I113 HydrophobicContact CD2-CB 4.19Å; Y108-I113 HydrophobicContact CD2-CD1 4.32Å; Y108-I113 HydrophobicContact CD2-CG1 3.26Å; Y108-I113 HydrophobicContact CE2-CB 4.43Å; Y108-I113 HydrophobicContact CE2-CG1 3.86Å; Y108-I113 HydrophobicContact CG-CD1 4.1Å; Y108-I113 HydrophobicContact CG-CG1 3.51Å
109A96.4Very high96.5Very high17 Ų1761 Ų6114%0.1432%0.319CS..  trans-84.9128.4164.300000109.9P44 V47 D111 S112 I113P44-A109 WeakPolarHBondContact O-CB 3.49Å; P44-A109 PolarHBondContact O-N 3.32Å; V47-A109 HydrophobicContact CG1-CB 4Å; V47-A109 VanDerWaalsContact CG1-N 3.34Å; A109-D111 PolarHBondContact O-N 3.16Å; A109-S112 PolarHBondContact O-N 2.78Å; A109-I113 PolarHBondContact O-N 3.35Å
110Q94.4Very high96.4Very high97 Ų9763 Ų6345%0.45334%0.34SS..Hα-helixtrans-58-47.2-175.1-177.863.732.500111.9S112 I113 E114Q110-S112 VanDerWaalsContact C-N 3.27Å; Q110-S112 PolarHBondContact O-N 2.87Å; Q110-I113 PolarHBondContact O-N 2.93Å; Q110-E114 WeakPolarHBondContact CG-OE1 2.86Å; Q110-E114 PolarHBondContact NE2-OE1 2.9Å; Q110-E114 WeakPolarHBondContact O-CG 3.43Å; Q110-E114 PolarHBondContact O-N 3.04Å
111D94.1Very high96.3Very high128 Ų12859.8 Ų59.868%0.68433%0.327SS*.Hα-helixtrans-60.5-36.8-178.5-60.32.7000111.9A109 E114 L115A109-D111 PolarHBondContact O-N 3.16Å; D111-E114 PolarHBondContact O-N 3.25Å; D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.24Å
112S93.6Very high96.3Very high3 Ų365.6 Ų65.62%0.02135%0.354CS..Hα-helixtrans-68.8-41.7176.7-57.50000112G45 A109 Q110 E114 L115 L116G45-S112 VanDerWaalsContact CA-OG 3.27Å; G45-S112 WeakPolarHBondContact CA-OG 3.32Å; A109-S112 PolarHBondContact O-N 2.78Å; Q110-S112 VanDerWaalsContact C-N 3.27Å; Q110-S112 PolarHBondContact O-N 2.87Å; S112-E114 VanDerWaalsContact C-N 3.31Å; S112-E114 PolarHBondContact O-N 3.5Å; S112-L115 PolarHBondContact O-N 3.46Å; S112-L116 WeakPolarHBondContact O-CB 3.5Å; S112-L116 VanDerWaalsContact O-CG 3.29Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.26Å
113I96.3Very high96.3Very high10 Ų1065.3 Ų65.35%0.05135%0.351CS..Hα-helixtrans-63.7-38.4175.1-64.9-55.2000111.5P44 I75 F101 L103 Y108 A109 Q110 T117 F123P44-I113 HydrophobicContact CB-CD1 4.29Å; I75-I113 HydrophobicContact CD1-CD1 4.3Å; F101-I113 HydrophobicContact CE1-CD1 4.17Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CD1 3.83Å; L103-I113 HydrophobicContact CD2-CG1 3.97Å; L103-I113 HydrophobicContact CD2-CG2 3.71Å; Y108-I113 HydrophobicContact CD1-CG1 4.3Å; Y108-I113 HydrophobicContact CD2-CB 4.19Å; Y108-I113 HydrophobicContact CD2-CD1 4.32Å; Y108-I113 HydrophobicContact CD2-CG1 3.26Å; Y108-I113 HydrophobicContact CE2-CB 4.43Å; Y108-I113 HydrophobicContact CE2-CG1 3.86Å; Y108-I113 HydrophobicContact CG-CD1 4.1Å; Y108-I113 HydrophobicContact CG-CG1 3.51Å; A109-I113 PolarHBondContact O-N 3.35Å; Q110-I113 PolarHBondContact O-N 2.93Å; I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.37Å; I113-T117 PolarHBondContact O-N 3.27Å; I113-T117 PolarHBondContact O-OG1 2.96Å; I113-F123 HydrophobicContact CD1-CE1 3.72Å; I113-F123 HydrophobicContact CD1-CE2 4.32Å; I113-F123 HydrophobicContact CD1-CZ 3.48Å; I113-F123 VanDerWaalsContact CD1-CZ 3.48Å; I113-F123 HydrophobicContact CG2-CD2 4.41Å; I113-F123 HydrophobicContact CG2-CE2 3.88Å; I113-F123 HydrophobicContact CG2-CZ 4.15Å
114E96.3Very high96.3Very high104 Ų10469.2 Ų69.249%0.48637%0.366SS..Hα-helixtrans-65.9-42.5176.5-72178.2-167.100112Q110 D111 S112 T118Q110-E114 WeakPolarHBondContact CG-OE1 2.86Å; Q110-E114 PolarHBondContact NE2-OE1 2.9Å; Q110-E114 WeakPolarHBondContact O-CG 3.43Å; Q110-E114 PolarHBondContact O-N 3.04Å; D111-E114 PolarHBondContact O-N 3.25Å; S112-E114 VanDerWaalsContact C-N 3.31Å; S112-E114 PolarHBondContact O-N 3.5Å; E114-T118 WeakPolarHBondContact O-CB 3.42Å; E114-T118 PolarHBondContact O-N 3Å; E114-T118 PolarHBondContact O-OG1 3.37Å
115L94.4Very high96.4Very high54 Ų5465.7 Ų65.728%0.28334%0.339SS..Hα-helixtrans-59.1-56.9173.317857000110.7D111 S112 T117 T118 S119 S285D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.24Å; S112-L115 PolarHBondContact O-N 3.46Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.06Å; L115-T118 CarbonylContact O-C 3.58Å; L115-T118 WeakPolarHBondContact O-CA 3.31Å; L115-T118 WeakPolarHBondContact O-CB 3.49Å; L115-T118 PolarHBondContact O-N 2.76Å; L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 PolarHBondContact O-OG 3.13Å; L115-S285 WeakPolarHBondContact CD2-O 3.18Å
116L95.6Very high96.5Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-57-40.4179.1-71.9176.6000113.2E42 I75 S112 T118 S119 G120 I121 F123 S285E42-L116 HydrophobicContact CB-CD2 3.97Å; E42-L116 HydrophobicContact CG-CD2 4.03Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.41Å; I75-L116 HydrophobicContact CD1-CD1 3.51Å; S112-L116 WeakPolarHBondContact O-CB 3.5Å; S112-L116 VanDerWaalsContact O-CG 3.29Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.26Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 2.87Å; L116-S119 CarbonylContact O-C 3.53Å; L116-S119 PolarHBondContact O-N 2.85Å; L116-G120 PolarHBondContact O-N 3.3Å; L116-G120 VanDerWaalsContact O-N 3.13Å; L116-I121 HydrophobicContact CB-CB 4.15Å; L116-I121 HydrophobicContact CB-CG1 3.84Å; L116-I121 HydrophobicContact CD2-CG1 4.04Å; L116-I121 HydrophobicContact CG-CG1 4.47Å; L116-I121 VanDerWaalsContact O-CB 3.31Å; L116-I121 WeakPolarHBondContact O-CB 3.2Å; L116-I121 WeakPolarHBondContact O-CG1 3.3Å; L116-I121 PolarHBondContact O-N 3.09Å; L116-F123 HydrophobicContact CB-CE2 4.14Å; L116-F123 HydrophobicContact CB-CZ 3.93Å; L116-F123 HydrophobicContact CD1-CZ 4.14Å; L116-S285 WeakPolarHBondContact CD2-OXT 3.44Å; L116-S285 WeakPolarHBondContact CG-OXT 3.49Å
117T96.3Very high96.5Very high74 Ų7460.9 Ų60.945%0.45432%0.316SS..Hα-helixtrans-62-43.2175.4-59.10000110.7I113 L115 S119 G120 F123I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.37Å; I113-T117 PolarHBondContact O-N 3.27Å; I113-T117 PolarHBondContact O-OG1 2.96Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.06Å; T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.08Å; T117-G120 PolarHBondContact O-N 3.43Å; T117-G120 VanDerWaalsContact O-N 3.17Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.3Å
118T96.4Very high96.6Very high124 Ų12461.8 Ų61.876%0.76132%0.319SS*.Hα-helixtrans-65.8-34.5177.1-56.30000111.6E114 L115 L116 G120E114-T118 WeakPolarHBondContact O-CB 3.42Å; E114-T118 PolarHBondContact O-N 3Å; E114-T118 PolarHBondContact O-OG1 3.37Å; L115-T118 CarbonylContact O-C 3.58Å; L115-T118 WeakPolarHBondContact O-CA 3.31Å; L115-T118 WeakPolarHBondContact O-CB 3.49Å; L115-T118 PolarHBondContact O-N 2.76Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 2.87Å; T118-G120 PolarHBondContact O-N 3.11Å
119S93.9Very high96.6Very high19 Ų1962 Ų6213%0.13332%0.323CS..THydrogen-bonded Turntrans-75.3-5.3176-54.50000113.8L115 L116 T117 H225 Q226L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 PolarHBondContact O-OG 3.13Å; L116-S119 CarbonylContact O-C 3.53Å; L116-S119 PolarHBondContact O-N 2.85Å; T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.08Å; S119-H225 WeakPolarHBondContact CB-O 3.36Å; S119-H225 VanDerWaalsContact OG-CB 3.32Å; S119-H225 WeakPolarHBondContact OG-CB 3.29Å; S119-Q226 PolarHBondContact O-NE2 3.05Å
120G96.4Very high96.8Very high42 Ų4261.2 Ų61.243%0.43332%0.317SS..THydrogen-bonded Turntrans104.99.8170.900000115.5L116 T117 T118 Q122L116-G120 PolarHBondContact O-N 3.3Å; L116-G120 VanDerWaalsContact O-N 3.13Å; T117-G120 PolarHBondContact O-N 3.43Å; T117-G120 VanDerWaalsContact O-N 3.17Å; T118-G120 PolarHBondContact O-N 3.11Å; G120-Q122 PolarHBondContact O-N 3.18Å
121I97.4Very high97Very high9 Ų956.7 Ų56.75%0.04630%0.296CS..  trans-65.8126.4174.9-61.9-58.3000110.8I75 Q76 L116 F123 Q226I75-I121 HydrophobicContact CG2-CG2 4.18Å; Q76-I121 HydrophobicContact CG-CD1 4.03Å; L116-I121 HydrophobicContact CB-CB 4.15Å; L116-I121 HydrophobicContact CB-CG1 3.84Å; L116-I121 HydrophobicContact CD2-CG1 4.04Å; L116-I121 HydrophobicContact CG-CG1 4.47Å; L116-I121 VanDerWaalsContact O-CB 3.31Å; L116-I121 WeakPolarHBondContact O-CB 3.2Å; L116-I121 WeakPolarHBondContact O-CG1 3.3Å; L116-I121 PolarHBondContact O-N 3.09Å; I121-F123 HydrophobicContact CB-CE2 4.14Å; I121-F123 HydrophobicContact CB-CZ 4.37Å; I121-F123 HydrophobicContact CG2-CD1 4.15Å; I121-F123 HydrophobicContact CG2-CD2 3.99Å; I121-F123 HydrophobicContact CG2-CE1 3.93Å; I121-F123 HydrophobicContact CG2-CE2 3.76Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.72Å; I121-F123 PolarHBondContact O-N 3.45Å; I121-Q226 HydrophobicContact CD1-CG 4.11Å
122Q97.6Very high97.2Very high122 Ų12254.7 Ų54.757%0.5728%0.282SS*.  trans-97.576.9-179.5-61.7-173.9-42.200110.6G120 K124 K125 H126G120-Q122 PolarHBondContact O-N 3.18Å; Q122-K124 PolarHBondContact O-N 2.94Å; Q122-K124 VanDerWaalsContact O-N 3.09Å; Q122-K125 HydrophobicContact CB-CB 4.02Å; Q122-K125 WeakPolarHBondContact O-CA 3.44Å; Q122-K125 WeakPolarHBondContact O-CB 3.37Å; Q122-K125 PolarHBondContact O-N 2.7Å; Q122-H126 PolarHBondContact O-CD2 3.39Å; Q122-H126 PolarHBondContact O-N 2.82Å; Q122-H126 VanDerWaalsContact O-N 3.11Å
123F98.3Very high97.4Very high16 Ų1656.2 Ų56.27%0.0729%0.291CS..Hα-helixtrans-52.6-36.5-174.2-76-74.1000114.9I75 F101 L103 I113 L116 T117 I121 K125 H126 E127I75-F123 HydrophobicContact CD1-CE1 3.94Å; I75-F123 HydrophobicContact CD1-CZ 4.31Å; I75-F123 HydrophobicContact CG2-CE1 4.31Å; F101-F123 AromaticContact CD1-CD1 3.94Å; F101-F123 HydrophobicContact CD1-CD1 3.94Å; F101-F123 AromaticContact CD1-CE1 3.96Å; F101-F123 HydrophobicContact CD1-CE1 3.96Å; F101-F123 HydrophobicContact CE1-CE1 4.33Å; L103-F123 HydrophobicContact CD1-CB 3.6Å; L103-F123 HydrophobicContact CD1-CD1 4.28Å; L103-F123 HydrophobicContact CD1-CD2 4.08Å; L103-F123 HydrophobicContact CD1-CG 3.72Å; L103-F123 HydrophobicContact CD2-CD1 4.01Å; L103-F123 HydrophobicContact CD2-CE1 4.24Å; L103-F123 HydrophobicContact CD2-CG 4.23Å; L103-F123 HydrophobicContact CG-CB 4.06Å; L103-F123 HydrophobicContact CG-CD1 4.07Å; L103-F123 HydrophobicContact CG-CG 4.02Å; I113-F123 HydrophobicContact CD1-CE1 3.72Å; I113-F123 HydrophobicContact CD1-CE2 4.32Å; I113-F123 HydrophobicContact CD1-CZ 3.48Å; I113-F123 VanDerWaalsContact CD1-CZ 3.48Å; I113-F123 HydrophobicContact CG2-CD2 4.41Å; I113-F123 HydrophobicContact CG2-CE2 3.88Å; I113-F123 HydrophobicContact CG2-CZ 4.15Å; L116-F123 HydrophobicContact CB-CE2 4.14Å; L116-F123 HydrophobicContact CB-CZ 3.93Å; L116-F123 HydrophobicContact CD1-CZ 4.14Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.3Å; I121-F123 HydrophobicContact CB-CE2 4.14Å; I121-F123 HydrophobicContact CB-CZ 4.37Å; I121-F123 HydrophobicContact CG2-CD1 4.15Å; I121-F123 HydrophobicContact CG2-CD2 3.99Å; I121-F123 HydrophobicContact CG2-CE1 3.93Å; I121-F123 HydrophobicContact CG2-CE2 3.76Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.72Å; I121-F123 PolarHBondContact O-N 3.45Å; F123-K125 VanDerWaalsContact C-N 3.26Å; F123-K125 PolarHBondContact O-N 3.4Å; F123-H126 WeakPolarHBondContact O-CB 3.38Å; F123-H126 PolarHBondContact O-N 2.94Å; F123-E127 PolarHBondContact O-N 3.35Å
124K98.4Very high97.5Very high142 Ų14260.5 Ų60.562%0.61731%0.311SS*.Hα-helixtrans-58.9-39.4174.2-173.7178.8176.6-176.50112.3Q122 E127 E128Q122-K124 PolarHBondContact O-N 2.94Å; Q122-K124 VanDerWaalsContact O-N 3.09Å; K124-E127 PolarHBondContact O-N 2.85Å; K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 IonicContact NZ-OE1 2.87Å; K124-E128 WeakPolarHBondContact O-CG 3.35Å; K124-E128 PolarHBondContact O-N 3.17Å; K124-E128 VanDerWaalsContact O-N 3.11Å
125K98.6Very high97.6Very high57 Ų5759.9 Ų59.925%0.24831%0.305CS..Hα-helixtrans-73.9-34.7177.7-164.4179.2177-165.40111.8W16 Q122 F123 E127 E128 E129 G130W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.32Å; W16-K125 HydrophobicContact CE3-CD 4.35Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 3.98Å; W16-K125 HydrophobicContact CH2-CD 3.69Å; W16-K125 HydrophobicContact CH2-CG 3.77Å; W16-K125 HydrophobicContact CZ2-CD 3.62Å; W16-K125 HydrophobicContact CZ2-CG 4.2Å; W16-K125 HydrophobicContact CZ3-CB 4.07Å; W16-K125 HydrophobicContact CZ3-CD 4.05Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; Q122-K125 HydrophobicContact CB-CB 4.02Å; Q122-K125 WeakPolarHBondContact O-CA 3.44Å; Q122-K125 WeakPolarHBondContact O-CB 3.37Å; Q122-K125 PolarHBondContact O-N 2.7Å; F123-K125 VanDerWaalsContact C-N 3.26Å; F123-K125 PolarHBondContact O-N 3.4Å; K125-E127 VanDerWaalsContact C-N 3.31Å; K125-E127 PolarHBondContact O-N 2.96Å; K125-E128 PolarHBondContact O-N 3.41Å; K125-E129 WeakPolarHBondContact CE-OE2 3.2Å; K125-E129 HydrophobicContact CG-CB 4.2Å; K125-E129 HydrophobicContact CG-CG 4.29Å; K125-E129 WeakPolarHBondContact O-CA 3.35Å; K125-E129 WeakPolarHBondContact O-CB 3.46Å; K125-E129 PolarHBondContact O-N 3.47Å; K125-G130 PolarHBondContact O-N 2.5Å
126H98.8Very high97.8Very high1 Ų157.3 Ų57.31%0.00529%0.291CS..Hα-helixtrans-59.2-44169.7-78.7-101.3000111.3W16 I75 F99 K100 F101 Q122 F123 G130W16-H126 AromaticContact CH2-CD2 3.84Å; W16-H126 AromaticContact CH2-NE2 3.87Å; I75-H126 PolarHBondContact O-CE1 3.11Å; I75-H126 VanDerWaalsContact O-CE1 3.24Å; I75-H126 PolarHBondContact O-ND1 3.42Å; F99-H126 PolarHBondContact O-ND1 3.13Å; K100-H126 WeakPolarHBondContact CA-O 3.22Å; F101-H126 HydrophobicContact CB-CB 4.22Å; Q122-H126 PolarHBondContact O-CD2 3.39Å; Q122-H126 PolarHBondContact O-N 2.82Å; Q122-H126 VanDerWaalsContact O-N 3.11Å; F123-H126 WeakPolarHBondContact O-CB 3.38Å; F123-H126 PolarHBondContact O-N 2.94Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.41Å; H126-G130 PolarHBondContact O-N 3.2Å
127E98.7Very high98Very high81 Ų8157.5 Ų57.538%0.37929%0.293SS..Hα-helixtrans-61.5-46.9177.3-173.8179.2-175.600112.1K100 F101 N102 F123 K124 K125K100-E127 WeakPolarHBondContact CE-O 3.45Å; F101-E127 VanDerWaalsContact O-CA 3.31Å; F101-E127 WeakPolarHBondContact O-CA 3.17Å; F101-E127 WeakPolarHBondContact O-CB 3.44Å; F101-E127 PolarHBondContact O-N 3.16Å; N102-E127 HydrophobicContact CB-CG 4.36Å; N102-E127 PolarHBondContact ND2-OE1 3.06Å; F123-E127 PolarHBondContact O-N 3.35Å; K124-E127 PolarHBondContact O-N 2.85Å; K125-E127 VanDerWaalsContact C-N 3.31Å; K125-E127 PolarHBondContact O-N 2.96Å
128E98.6Very high98.1Very high120 Ų12059.4 Ų59.456%0.56130%0.297SS*.Hα-helixtrans-82-39.1-172.6-68.3174.4173.400113.8K124 K125K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 IonicContact NZ-OE1 2.87Å; K124-E128 WeakPolarHBondContact O-CG 3.35Å; K124-E128 PolarHBondContact O-N 3.17Å; K124-E128 VanDerWaalsContact O-N 3.11Å; K125-E128 PolarHBondContact O-N 3.41Å
129E98.7Very high98.2Very high81 Ų8154 Ų5438%0.37926%0.263SS..Hα-helixtrans-125.50.5-167.6-59-179.9-134.100113.8W16 A17 K125W16-E129 HydrophobicContact CE3-CB 4.02Å; A17-E129 WeakPolarHBondContact CB-O 3.33Å; A17-E129 PolarHBondContact N-O 2.97Å; K125-E129 WeakPolarHBondContact CE-OE2 3.2Å; K125-E129 HydrophobicContact CG-CB 4.2Å; K125-E129 HydrophobicContact CG-CG 4.29Å; K125-E129 WeakPolarHBondContact O-CA 3.35Å; K125-E129 WeakPolarHBondContact O-CB 3.46Å; K125-E129 PolarHBondContact O-N 3.47Å
130G98.8Very high98.4Very high2 Ų253.2 Ų53.22%0.02126%0.258CS..PPolyproline II helixtrans-64.8149.8-176.100000113.6N98 K125 H126N98-G130 WeakPolarHBondContact O-CA 3.48Å; K125-G130 PolarHBondContact O-N 2.5Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.41Å; H126-G130 PolarHBondContact O-N 3.2Å
131I98.9Very high98.5Very high1 Ų155.2 Ų55.21%0.00526%0.257CS..BIsolated β-bridgetrans-68.9135.5179.3-65159.9000110.6V15 W16 L20 F97 N98 F99 K100 F136V15-I131 HydrophobicContact CB-CD1 4.3Å; V15-I131 HydrophobicContact CG1-CD1 4.08Å; V15-I131 WeakPolarHBondContact O-CD1 3.41Å; W16-I131 VanDerWaalsContact C-CG1 3.48Å; L20-I131 HydrophobicContact CD1-CD1 4.06Å; L20-I131 HydrophobicContact CD2-CG1 4.42Å; L20-I131 HydrophobicContact CD2-CG2 3.67Å; F97-I131 HydrophobicContact CB-CD1 3.97Å; F97-I131 HydrophobicContact CD1-CD1 3.97Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; N98-I131 WeakPolarHBondContact O-CB 3.13Å; N98-I131 WeakPolarHBondContact O-CG1 3.28Å; N98-I131 PolarHBondContact O-N 2.81Å; F99-I131 WeakPolarHBondContact CA-O 3.38Å; F99-I131 HydrophobicContact CD1-CB 3.88Å; F99-I131 HydrophobicContact CD1-CG2 3.9Å; F99-I131 HydrophobicContact CE1-CB 4.3Å; F99-I131 HydrophobicContact CE1-CG2 3.95Å; K100-I131 PolarHBondContact N-O 3.3Å; I131-F136 HydrophobicContact CG2-CB 3.81Å
132E98.8Very high98.4Very high86 Ų8659 Ų5940%0.40228%0.28SS..PPolyproline II helixtrans-74.3123.7166.7-63.2-62.3161.600110.1K100 Q134 Y135 F136K100-E132 WeakPolarHBondContact CD-OE1 3.19Å; K100-E132 VanDerWaalsContact CE-OE1 3.29Å; K100-E132 WeakPolarHBondContact CE-OE1 3.26Å; K100-E132 IonicContact NZ-OE1 2.87Å; K100-E132 PolarHBondContact NZ-OE1 3.29Å; E132-Q134 VanDerWaalsContact C-N 3.27Å; E132-Q134 PolarHBondContact O-N 3.41Å; E132-Y135 PolarHBondContact O-N 2.87Å; E132-F136 PolarHBondContact O-N 2.82Å; E132-F136 VanDerWaalsContact O-N 3.08Å
133T98.6Very high98.4Very high35 Ų3553.6 Ų53.622%0.21526%0.256CS..Hα-helixtrans-63.1-33.3-174.652.20000112.6I74 F99 F136 A137 I168I74-T133 HydrophobicContact CG2-CG2 3.8Å; F99-T133 HydrophobicContact CB-CG2 4.48Å; F99-T133 HydrophobicContact CD1-CG2 3.67Å; F99-T133 HydrophobicContact CE1-CG2 4.16Å; F99-T133 HydrophobicContact CG-CG2 4.18Å; T133-F136 PolarHBondContact O-N 2.86Å; T133-A137 WeakPolarHBondContact O-CB 3.36Å; T133-A137 PolarHBondContact O-N 3.36Å; T133-I168 HydrophobicContact CG2-CD1 4.28Å; T133-I168 HydrophobicContact CG2-CG1 4.38Å
134Q98.3Very high98.3Very high100 Ų10054.3 Ų54.347%0.46727%0.268SS..Hα-helixtrans-65.6-41178.6-62.477.319.300111.6E132 A137 E138E132-Q134 VanDerWaalsContact C-N 3.27Å; E132-Q134 PolarHBondContact O-N 3.41Å; Q134-A137 WeakPolarHBondContact O-CB 3.41Å; Q134-A137 PolarHBondContact O-N 2.96Å; Q134-E138 PolarHBondContact O-N 3.36Å
135Y98.8Very high98.2Very high91 Ų9147.6 Ų47.636%0.35724%0.239SC..Hα-helixtrans-72.2-38.1178.1-172.6-132.6000111.4L20 D21 E132 A137 E138 L139L20-Y135 HydrophobicContact CD2-CD1 3.8Å; L20-Y135 HydrophobicContact CD2-CE1 4.2Å; D21-Y135 PolarHBondContact OD1-OH 2.89Å; D21-Y135 WeakPolarHBondContact OD2-CE1 3.48Å; D21-Y135 PolarHBondContact OD2-OH 3.2Å; E132-Y135 PolarHBondContact O-N 2.87Å; Y135-A137 VanDerWaalsContact C-N 3.33Å; Y135-A137 PolarHBondContact O-N 3.2Å; Y135-E138 PolarHBondContact O-N 3.05Å; Y135-L139 HydrophobicContact CD1-CD1 4.39Å; Y135-L139 HydrophobicContact CE1-CD1 4.01Å; Y135-L139 HydrophobicContact CE2-CD2 4.47Å; Y135-L139 HydrophobicContact CE2-CG 4.35Å; Y135-L139 PolarHBondContact O-N 3.34Å; Y135-L139 VanDerWaalsContact O-N 3.16Å
136F98.8Very high98.2Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-57.2-45170.3173.9-98.6000112.2L20 M24 L77 F97 F99 I131 E132 T133 E138 L139 L140 I168L20-F136 HydrophobicContact CD1-CD2 4.09Å; M24-F136 HydrophobicContact SD-CE2 4.39Å; L77-F136 HydrophobicContact CD2-CE1 3.87Å; L77-F136 HydrophobicContact CD2-CE2 4.34Å; L77-F136 HydrophobicContact CD2-CZ 3.42Å; L77-F136 VanDerWaalsContact CD2-CZ 3.42Å; F97-F136 AromaticContact CD1-CD2 3.99Å; F97-F136 HydrophobicContact CD1-CD2 3.99Å; F97-F136 AromaticContact CD1-CE2 3.67Å; F97-F136 HydrophobicContact CD1-CE2 3.67Å; F97-F136 HydrophobicContact CD2-CE2 4.37Å; F97-F136 HydrophobicContact CE1-CD2 4.21Å; F97-F136 AromaticContact CE1-CE2 3.7Å; F97-F136 HydrophobicContact CE1-CE2 3.7Å; F97-F136 HydrophobicContact CE2-CE2 4.4Å; F97-F136 HydrophobicContact CG-CE2 4.01Å; F97-F136 HydrophobicContact CZ-CE2 4.07Å; F99-F136 HydrophobicContact CE1-CB 3.96Å; F99-F136 AromaticContact CE1-CD1 3.93Å; F99-F136 HydrophobicContact CE1-CD1 3.93Å; F99-F136 HydrophobicContact CE1-CD2 4.27Å; F99-F136 AromaticContact CE1-CG 3.78Å; F99-F136 HydrophobicContact CE1-CG 3.78Å; F99-F136 HydrophobicContact CZ-CD1 4Å; F99-F136 HydrophobicContact CZ-CD2 4.39Å; F99-F136 HydrophobicContact CZ-CE1 4.16Å; F99-F136 HydrophobicContact CZ-CG 4.13Å; F99-F136 HydrophobicContact CZ-CZ 4.45Å; I131-F136 HydrophobicContact CG2-CB 3.81Å; E132-F136 PolarHBondContact O-N 2.82Å; E132-F136 VanDerWaalsContact O-N 3.08Å; T133-F136 PolarHBondContact O-N 2.86Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.94Å; F136-L139 PolarHBondContact O-N 3.45Å; F136-L140 HydrophobicContact CE1-CB 4.35Å; F136-L140 HydrophobicContact CE1-CD2 3.73Å; F136-L140 HydrophobicContact CZ-CB 4.39Å; F136-L140 HydrophobicContact CZ-CD1 4.46Å; F136-L140 HydrophobicContact CZ-CD2 3.93Å; F136-L140 HydrophobicContact CZ-CG 4.5Å; F136-L140 WeakPolarHBondContact O-CB 3.33Å; F136-L140 PolarHBondContact O-N 2.9Å; F136-I168 HydrophobicContact CD1-CG2 4.21Å
137A98.6Very high98Very high5 Ų549.4 Ų49.44%0.04125%0.251CS..Hα-helixtrans-57.9-44.4178.700000112.1T133 Q134 Y135 L139 L140 M141 I168T133-A137 WeakPolarHBondContact O-CB 3.36Å; T133-A137 PolarHBondContact O-N 3.36Å; Q134-A137 WeakPolarHBondContact O-CB 3.41Å; Q134-A137 PolarHBondContact O-N 2.96Å; Y135-A137 VanDerWaalsContact C-N 3.33Å; Y135-A137 PolarHBondContact O-N 3.2Å; A137-L139 PolarHBondContact O-N 3.11Å; A137-L140 PolarHBondContact O-N 3.12Å; A137-M141 HydrophobicContact CB-CE 4.31Å; A137-M141 WeakPolarHBondContact O-CB 3.4Å; A137-M141 WeakPolarHBondContact O-CG 3.43Å; A137-M141 PolarHBondContact O-N 3.17Å; A137-I168 HydrophobicContact CB-CG2 3.69Å; A137-I168 WeakPolarHBondContact CB-O 3.36Å
138E98.5Very high97.8Very high114 Ų11447.7 Ų47.753%0.53325%0.247SC..Hα-helixtrans-58.8-46.7176-173.5-174.1125.700111.8Q134 Y135 F136 T142Q134-E138 PolarHBondContact O-N 3.36Å; Y135-E138 PolarHBondContact O-N 3.05Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.94Å; E138-T142 WeakPolarHBondContact O-CG2 3.31Å; E138-T142 PolarHBondContact O-N 3.11Å; E138-T142 PolarHBondContact O-OG1 3.29Å
139L98.7Very high97.4Very high10 Ų1049.8 Ų49.85%0.05226%0.257CS..Hα-helixtrans-67.2-37.8179.7-67.2178.7000112.2L20 M24 R28 Y135 F136 A137 T142 S143L20-L139 HydrophobicContact CD1-CD1 4.36Å; L20-L139 HydrophobicContact CD2-CD1 3.75Å; L20-L139 HydrophobicContact CG-CD1 3.63Å; M24-L139 HydrophobicContact CB-CB 4.4Å; M24-L139 HydrophobicContact CB-CD1 4.32Å; M24-L139 HydrophobicContact CE-CB 3.9Å; M24-L139 HydrophobicContact CG-CB 4.05Å; M24-L139 HydrophobicContact CG-CD1 3.99Å; R28-L139 PolarHBondContact NH2-O 3.24Å; Y135-L139 HydrophobicContact CD1-CD1 4.39Å; Y135-L139 HydrophobicContact CE1-CD1 4.01Å; Y135-L139 HydrophobicContact CE2-CD2 4.47Å; Y135-L139 HydrophobicContact CE2-CG 4.35Å; Y135-L139 PolarHBondContact O-N 3.34Å; Y135-L139 VanDerWaalsContact O-N 3.16Å; F136-L139 PolarHBondContact O-N 3.45Å; A137-L139 PolarHBondContact O-N 3.11Å; L139-T142 PolarHBondContact O-N 2.75Å; L139-T142 PolarHBondContact O-OG1 3.49Å; L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 2.85Å
140L98.4Very high97.2Very high2 Ų248.2 Ų48.21%0.0126%0.263CS..Hα-helixtrans-67.9-46.2178.5-172.662.5000110.9M24 F136 A137 T142 S143 V145 V146 L169M24-L140 HydrophobicContact CE-CB 4.34Å; M24-L140 HydrophobicContact CE-CD1 4.32Å; F136-L140 HydrophobicContact CE1-CB 4.35Å; F136-L140 HydrophobicContact CE1-CD2 3.73Å; F136-L140 HydrophobicContact CZ-CB 4.39Å; F136-L140 HydrophobicContact CZ-CD1 4.46Å; F136-L140 HydrophobicContact CZ-CD2 3.93Å; F136-L140 HydrophobicContact CZ-CG 4.5Å; F136-L140 WeakPolarHBondContact O-CB 3.33Å; F136-L140 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 3.12Å; L140-T142 VanDerWaalsContact C-N 3.25Å; L140-T142 PolarHBondContact O-N 2.87Å; L140-S143 WeakPolarHBondContact O-CB 3.45Å; L140-S143 PolarHBondContact O-N 3.2Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 3.07Å; L140-V145 HydrophobicContact CD1-CB 3.95Å; L140-V145 HydrophobicContact CD1-CG1 3.91Å; L140-V146 HydrophobicContact CD1-CG1 4.25Å; L140-V146 HydrophobicContact CD2-CG1 3.98Å; L140-V146 HydrophobicContact CG-CG1 3.88Å; L140-V146 HydrophobicContact CG-CG2 4.28Å; L140-L169 HydrophobicContact CD2-CD2 4.04Å; L140-L169 HydrophobicContact CG-CD2 4.41Å
141M97.5Very high97.2Very high85 Ų8548.4 Ų48.442%0.41926%0.264SS..Hα-helixtrans-57.8-37.7175.6-77.1-170.7-86.500112.6A137 S143 L169A137-M141 HydrophobicContact CB-CE 4.31Å; A137-M141 WeakPolarHBondContact O-CB 3.4Å; A137-M141 WeakPolarHBondContact O-CG 3.43Å; A137-M141 PolarHBondContact O-N 3.17Å; M141-S143 VanDerWaalsContact C-N 3.33Å; M141-S143 PolarHBondContact O-N 3.47Å; M141-L169 HydrophobicContact CG-CD2 3.81Å
142T96.5Very high97.2Very high88 Ų8850.2 Ų50.254%0.5427%0.272SS..THydrogen-bonded Turntrans-90.69-17957.70000113.9R28 E138 L139 L140R28-T142 PolarHBondContact NH2-OG1 2.97Å; E138-T142 WeakPolarHBondContact O-CG2 3.31Å; E138-T142 PolarHBondContact O-N 3.11Å; E138-T142 PolarHBondContact O-OG1 3.29Å; L139-T142 PolarHBondContact O-N 2.75Å; L139-T142 PolarHBondContact O-OG1 3.49Å; L140-T142 VanDerWaalsContact C-N 3.25Å; L140-T142 PolarHBondContact O-N 2.87Å
143S97.1Very high97.2Very high9 Ų946.2 Ų46.26%0.06325%0.253CS..THydrogen-bonded Turntrans-93.3-21.8-174.569.20000115.4L139 L140 M141 V145L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 2.85Å; L140-S143 WeakPolarHBondContact O-CB 3.45Å; L140-S143 PolarHBondContact O-N 3.2Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 3.07Å; M141-S143 VanDerWaalsContact C-N 3.33Å; M141-S143 PolarHBondContact O-N 3.47Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 VanDerWaalsContact OG-CB 3.24Å; S143-V145 WeakPolarHBondContact OG-CB 3.46Å; S143-V145 VanDerWaalsContact OG-CG2 3.25Å; S143-V145 WeakPolarHBondContact OG-CG2 3.47Å; S143-V145 PolarHBondContact OG-N 3.38Å; S143-V145 VanDerWaalsContact OG-N 3.12Å
144G96Very high97.2Very high31 Ų3144.6 Ų44.632%0.3224%0.243SC..THydrogen-bonded Turntrans77.512.4-16800000114.4C148G144-C148 PolarHBondContact O-SG 2.94Å; G144-C148 VanDerWaalsContact O-SG 3.41Å
145V97.6Very high97.2Very high0 Ų039.8 Ų39.80%022%0.22CC..SBendtrans-86.1-33.2175.5174.30000111.8I27 I31 F81 L140 S143 W153I27-V145 HydrophobicContact CG2-CG2 3.64Å; I31-V145 HydrophobicContact CB-CG2 4.09Å; I31-V145 HydrophobicContact CD1-CG2 4.22Å; I31-V145 HydrophobicContact CG1-CG2 3.96Å; I31-V145 HydrophobicContact CG2-CG2 4.29Å; F81-V145 HydrophobicContact CE1-CG2 4.4Å; L140-V145 HydrophobicContact CD1-CB 3.95Å; L140-V145 HydrophobicContact CD1-CG1 3.91Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 VanDerWaalsContact OG-CB 3.24Å; S143-V145 WeakPolarHBondContact OG-CB 3.46Å; S143-V145 VanDerWaalsContact OG-CG2 3.25Å; S143-V145 WeakPolarHBondContact OG-CG2 3.47Å; S143-V145 PolarHBondContact OG-N 3.38Å; S143-V145 VanDerWaalsContact OG-N 3.12Å; V145-W153 HydrophobicContact CG1-CH2 3.98Å; V145-W153 HydrophobicContact CG1-CZ2 3.55Å; V145-W153 WeakPolarHBondContact O-CZ2 3.29Å; V145-W153 PolarHBondContact O-NE1 2.84Å
146V97.8Very high97.2Very high2 Ų235.6 Ų35.61%0.01220%0.204CC..SBendtrans-110.1166.9174.5-61.60000110.6L140 C148 W153 L169 F189L140-V146 HydrophobicContact CD1-CG1 4.25Å; L140-V146 HydrophobicContact CD2-CG1 3.98Å; L140-V146 HydrophobicContact CG-CG1 3.88Å; L140-V146 HydrophobicContact CG-CG2 4.28Å; V146-C148 PolarHBondContact O-N 2.86Å; V146-C148 PolarHBondContact O-SG 3.4Å; V146-W153 HydrophobicContact CG1-CH2 4.41Å; V146-W153 HydrophobicContact CG1-CZ2 3.93Å; V146-L169 HydrophobicContact CG1-CD1 4.29Å; V146-L169 HydrophobicContact CG2-CD2 4.41Å; V146-F189 HydrophobicContact CG1-CD1 4.41Å; V146-F189 HydrophobicContact CG1-CE1 3.66Å; V146-F189 HydrophobicContact CG1-CZ 4.1Å
147L95.4Very high97Very high94 Ų9435.7 Ų35.749%0.49220%0.204SC..SBendtrans60.625.1179.5-57.1160.2000113.3L187 F188L147-L187 WeakPolarHBondContact CD2-O 3.37Å; L147-F188 HydrophobicContact CD1-CD1 4.27Å; L147-F188 HydrophobicContact CD1-CE1 4.21Å; L147-F188 HydrophobicContact CD2-CD1 3.64Å; L147-F188 HydrophobicContact CD2-CE1 3.96Å; L147-F188 HydrophobicContact CD2-CG 4.11Å; L147-F188 HydrophobicContact CG-CD1 3.79Å; L147-F188 HydrophobicContact CG-CE1 4.19Å; L147-F188 PolarHBondContact N-O 3.27Å
148C92.5Very high97Very high45 Ų4535.5 Ų35.530%0.30420%0.203SC..  trans-127.8115.6-173.6-690000111.2G144 V146 G150 V151 P190G144-C148 PolarHBondContact O-SG 2.94Å; G144-C148 VanDerWaalsContact O-SG 3.41Å; V146-C148 PolarHBondContact O-N 2.86Å; V146-C148 PolarHBondContact O-SG 3.4Å; C148-G150 PolarHBondContact O-N 2.76Å; C148-G150 VanDerWaalsContact O-N 3.17Å; C148-V151 HydrophobicContact CB-CG2 3.81Å; C148-V151 PolarHBondContact O-N 2.97Å; C148-V151 VanDerWaalsContact O-N 3.12Å; C148-P190 WeakPolarHBondContact O-CG 3.34Å
149E90.3Very high96.9Very high164 Ų16430 Ų3077%0.76618%0.177SC*.THydrogen-bonded Turntrans-61.3-24.2178.7-64.5-175.4172.600113.8V151 P190E149-V151 VanDerWaalsContact C-N 3.26Å; E149-V151 PolarHBondContact O-N 3.07Å; E149-P190 HydrophobicContact CG-CB 4.44Å; E149-P190 HydrophobicContact CG-CG 4.35Å
150G95.3Very high96.9Very high49 Ų4929.8 Ų29.851%0.50518%0.176SC..THydrogen-bonded Turntrans-76.2-7.8178.300000114.7N35 C148N35-G150 WeakPolarHBondContact CB-O 3.35Å; N35-G150 PolarHBondContact ND2-O 3.03Å; C148-G150 PolarHBondContact O-N 2.76Å; C148-G150 VanDerWaalsContact O-N 3.17Å
151V98.3Very high96.9Very high6 Ų630 Ų304%0.03618%0.177CC..  trans-99133.7-178.6-176.70000110.2I31 N35 V37 C148 E149I31-V151 HydrophobicContact CD1-CG1 4Å; I31-V151 HydrophobicContact CD1-CG2 3.95Å; I31-V151 HydrophobicContact CG1-CG2 4.11Å; N35-V151 WeakPolarHBondContact O-CA 3.47Å; V37-V151 HydrophobicContact CG2-CG1 3.81Å; C148-V151 HydrophobicContact CB-CG2 3.81Å; C148-V151 PolarHBondContact O-N 2.97Å; C148-V151 VanDerWaalsContact O-N 3.12Å; E149-V151 VanDerWaalsContact C-N 3.26Å; E149-V151 PolarHBondContact O-N 3.07Å
152K98.7Very high97Very high39 Ų3926 Ų2617%0.1716%0.157CC..EExtended strand (participates in β ladder)trans-109.9113.1-180-55.2-65.1-174174.30108.9N35 Y36 V37 V191N35-K152 PolarHBondContact O-N 2.6Å; Y36-K152 CarbonylContact C-O 3.54Å; Y36-K152 WeakPolarHBondContact CA-O 3.46Å; Y36-K152 HydrophobicContact CD1-CB 3.75Å; Y36-K152 HydrophobicContact CD1-CG 4.36Å; Y36-K152 HydrophobicContact CD2-CB 4.29Å; Y36-K152 HydrophobicContact CD2-CG 4.3Å; Y36-K152 HydrophobicContact CE1-CB 3.76Å; Y36-K152 HydrophobicContact CE1-CG 3.97Å; Y36-K152 HydrophobicContact CE2-CB 4.26Å; Y36-K152 HydrophobicContact CE2-CG 3.87Å; Y36-K152 HydrophobicContact CG-CB 4.02Å; V37-K152 PolarHBondContact N-O 3.17Å; K152-V191 HydrophobicContact CD-CB 3.74Å; K152-V191 HydrophobicContact CD-CG1 3.3Å; K152-V191 HydrophobicContact CD-CG2 4.16Å
153W98.9Very high97.1Very high2 Ų221.8 Ų21.81%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-89.2126.9-179.9-74.871.7000110.2V37 M39 L79 V145 V146 F162 L165 F189 V191 I192 Y193V37-W153 HydrophobicContact CG1-CH2 4.41Å; V37-W153 CarbonylContact O-C 3.45Å; V37-W153 WeakPolarHBondContact O-CA 3.07Å; M39-W153 HydrophobicContact CB-CZ3 4.32Å; M39-W153 HydrophobicContact CE-CB 3.74Å; M39-W153 HydrophobicContact CE-CD2 3.55Å; M39-W153 HydrophobicContact CE-CE3 2.91Å; M39-W153 HydrophobicContact CE-CG 3.97Å; M39-W153 HydrophobicContact CE-CZ3 3.55Å; M39-W153 HydrophobicContact CG-CE3 4.03Å; M39-W153 HydrophobicContact CG-CZ3 4.04Å; M39-W153 HydrophobicContact SD-CB 4.45Å; M39-W153 HydrophobicContact SD-CD2 4.48Å; M39-W153 HydrophobicContact SD-CE3 3.54Å; M39-W153 VanDerWaalsContact SD-CE3 3.54Å; M39-W153 HydrophobicContact SD-CZ3 4.16Å; L79-W153 HydrophobicContact CD2-CH2 4.24Å; L79-W153 HydrophobicContact CD2-CZ3 4.15Å; V145-W153 HydrophobicContact CG1-CH2 3.98Å; V145-W153 HydrophobicContact CG1-CZ2 3.55Å; V145-W153 WeakPolarHBondContact O-CZ2 3.29Å; V145-W153 PolarHBondContact O-NE1 2.84Å; V146-W153 HydrophobicContact CG1-CH2 4.41Å; V146-W153 HydrophobicContact CG1-CZ2 3.93Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CD2-CE1 4.39Å; W153-F162 AromaticContact CE3-CE1 3.83Å; W153-F162 HydrophobicContact CE3-CE1 3.83Å; W153-F162 HydrophobicContact CE3-CZ 4.15Å; W153-L165 HydrophobicContact CZ3-CD1 3.9Å; W153-F189 AromaticContact CD1-CD1 3.95Å; W153-F189 AromaticContact CD2-CD1 3.43Å; W153-F189 HydrophobicContact CD2-CD1 3.43Å; W153-F189 VanDerWaalsContact CD2-CD1 3.43Å; W153-F189 AromaticContact CD2-CE1 3.8Å; W153-F189 HydrophobicContact CD2-CE1 3.8Å; W153-F189 AromaticContact CE2-CD1 3.41Å; W153-F189 VanDerWaalsContact CE2-CD1 3.41Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 AromaticContact CE3-CD1 3.72Å; W153-F189 HydrophobicContact CE3-CD1 3.72Å; W153-F189 AromaticContact CE3-CE1 3.68Å; W153-F189 HydrophobicContact CE3-CE1 3.68Å; W153-F189 AromaticContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CH2-CD1 4.27Å; W153-F189 AromaticContact CH2-CE1 3.63Å; W153-F189 HydrophobicContact CH2-CE1 3.63Å; W153-F189 AromaticContact CZ2-CD1 3.83Å; W153-F189 HydrophobicContact CZ2-CD1 3.83Å; W153-F189 AromaticContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ3-CD1 4.19Å; W153-F189 AromaticContact CZ3-CE1 3.68Å; W153-F189 HydrophobicContact CZ3-CE1 3.68Å; W153-F189 AromaticContact NE1-CD1 3.65Å; W153-V191 WeakPolarHBondContact CB-O 3.03Å; W153-V191 PolarHBondContact N-O 2.91Å; W153-I192 HydrophobicContact CB-CG1 4.02Å; W153-I192 CarbonylContact O-C 3.57Å; W153-I192 WeakPolarHBondContact O-CA 3.25Å; W153-Y193 PolarHBondContact O-N 3.32Å
154L98.9Very high97.1Very high0 Ų021.5 Ų21.50%013%0.129CC..EExtended strand (participates in β ladder)trans-115.5129.1178.8-48178.1000109.5Y36 V37 A38 M39 M82 Y193 F238 F239Y36-L154 HydrophobicContact CD1-CD1 4.06Å; Y36-L154 HydrophobicContact CD1-CD2 4.06Å; Y36-L154 HydrophobicContact CD1-CG 4.27Å; V37-L154 PolarHBondContact O-N 3.48Å; A38-L154 CarbonylContact C-O 3.46Å; A38-L154 WeakPolarHBondContact CA-O 3.43Å; A38-L154 HydrophobicContact CB-CB 3.94Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; M39-L154 WeakPolarHBondContact CE-O 3.06Å; M39-L154 PolarHBondContact N-O 2.87Å; M82-L154 HydrophobicContact CE-CD1 3.86Å; L154-Y193 HydrophobicContact CD2-CD2 3.9Å; L154-F238 HydrophobicContact CD1-CB 3.91Å; L154-F238 HydrophobicContact CD1-CD1 3.45Å; L154-F238 VanDerWaalsContact CD1-CD1 3.45Å; L154-F238 HydrophobicContact CD1-CE1 4.09Å; L154-F238 HydrophobicContact CD1-CG 3.69Å; L154-F238 HydrophobicContact CD2-CD1 3.72Å; L154-F238 HydrophobicContact CD2-CD2 3.64Å; L154-F238 HydrophobicContact CD2-CE1 3.72Å; L154-F238 HydrophobicContact CD2-CE2 3.63Å; L154-F238 HydrophobicContact CD2-CG 3.68Å; L154-F238 HydrophobicContact CD2-CZ 3.67Å; L154-F238 HydrophobicContact CG-CD1 4.2Å; L154-F238 HydrophobicContact CG-CG 4.19Å; L154-F239 HydrophobicContact CD1-CE2 4.12Å
155S98.6Very high97.3Very high0 Ų020 Ų200%011%0.114CC..EExtended strand (participates in β ladder)trans-146.1172.9-171.869.60000111.4M39 S158 Y193 V195M39-S155 VanDerWaalsContact SD-CB 3.54Å; S155-S158 WeakPolarHBondContact CB-OG 3.29Å; S155-S158 WeakPolarHBondContact OG-CB 3.44Å; S155-S158 PolarHBondContact OG-OG 2.69Å; S155-Y193 PolarHBondContact N-O 2.94Å; S155-Y193 VanDerWaalsContact N-O 3.11Å; S155-V195 WeakPolarHBondContact O-CB 3.26Å; S155-V195 WeakPolarHBondContact O-CG2 3.48Å; S155-V195 PolarHBondContact O-N 3.07Å
156F98.1Very high97.3Very high2 Ų220 Ų201%0.00911%0.114CC..SBendtrans-136.6111.5176.3-171.7-80.8000110.7V195 K196 M199 L209 V212 T234F156-V195 HydrophobicContact CD2-CB 3.88Å; F156-V195 HydrophobicContact CD2-CG1 3.81Å; F156-V195 HydrophobicContact CE2-CG1 4.22Å; F156-K196 HydrophobicContact CD1-CB 4.29Å; F156-K196 HydrophobicContact CD1-CD 4.46Å; F156-K196 HydrophobicContact CD2-CB 4.22Å; F156-K196 HydrophobicContact CE1-CB 4.12Å; F156-K196 HydrophobicContact CE1-CD 3.86Å; F156-K196 HydrophobicContact CE1-CG 4.16Å; F156-K196 HydrophobicContact CE2-CB 4.05Å; F156-K196 HydrophobicContact CE2-CG 4.48Å; F156-K196 HydrophobicContact CG-CB 4.32Å; F156-K196 HydrophobicContact CZ-CB 3.99Å; F156-K196 HydrophobicContact CZ-CD 4.17Å; F156-K196 HydrophobicContact CZ-CG 3.99Å; F156-M199 HydrophobicContact CE2-SD 3.58Å; F156-M199 VanDerWaalsContact CE2-SD 3.58Å; F156-M199 HydrophobicContact CZ-SD 4.09Å; F156-L209 HydrophobicContact CB-CD1 4.45Å; F156-L209 HydrophobicContact CD1-CB 4.05Å; F156-L209 HydrophobicContact CD2-CB 4.28Å; F156-L209 HydrophobicContact CD2-CD1 3.68Å; F156-L209 HydrophobicContact CE1-CB 4.05Å; F156-L209 HydrophobicContact CE2-CB 4.27Å; F156-L209 HydrophobicContact CE2-CD1 4.09Å; F156-L209 HydrophobicContact CG-CB 4.19Å; F156-L209 HydrophobicContact CG-CD1 4.07Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-V212 HydrophobicContact CE2-CG2 4.26Å; F156-V212 HydrophobicContact CZ-CG2 4.44Å; F156-T234 HydrophobicContact CB-CG2 4.34Å
157H96.1Very high97.4Very high3 Ų322 Ų221%0.01412%0.122CC..SBendtrans59.745.3-177.7-156.4-178.3000114.3G159 D194 K196 Y260 Y277 E280 Q284H157-G159 VanDerWaalsContact C-N 3.28Å; H157-G159 PolarHBondContact O-N 2.87Å; H157-D194 WeakPolarHBondContact CA-OD2 3.35Å; H157-D194 PolarHBondContact N-OD1 3.02Å; H157-D194 PolarHBondContact N-OD2 3.41Å; H157-K196 HydrophobicContact CB-CB 4.35Å; H157-K196 HydrophobicContact CB-CD 3.52Å; H157-Y260 AromaticContact CD2-CD1 3.32Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.16Å; H157-Y260 AromaticContact NE2-CD1 3.35Å; H157-Y260 VanDerWaalsContact NE2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.49Å; H157-Y260 AromaticContact NE2-CE1 3.69Å; H157-Y277 AromaticContact CD2-CE2 3.8Å; H157-Y277 AromaticContact NE2-CD2 3.41Å; H157-Y277 WeakPolarHBondContact NE2-CD2 3.36Å; H157-Y277 AromaticContact NE2-CE2 3.01Å; H157-Y277 WeakPolarHBondContact NE2-CE2 3.49Å; H157-Y277 AromaticContact NE2-CZ 3.74Å; H157-E280 IonicContact CE1-OE2 2.69Å; H157-E280 PolarHBondContact CE1-OE2 2.81Å; H157-E280 IonicContact ND1-OE2 2.75Å; H157-E280 IonicContact NE2-OE2 2.76Å; H157-Q284 PolarHBondContact ND1-NE2 2.83Å; H157-Q284 PolarHBondContact ND1-OE1 2.77Å; H157-Q284 VanDerWaalsContact ND1-OE1 3.14Å
158S97.3Very high97.5Very high0 Ų018.2 Ų18.20%010%0.102CC..THydrogen-bonded Turntrans-88.820.6-150.856.80000116.8S155 D161 F162 D194S155-S158 WeakPolarHBondContact CB-OG 3.29Å; S155-S158 WeakPolarHBondContact OG-CB 3.44Å; S155-S158 PolarHBondContact OG-OG 2.69Å; S158-D161 VanDerWaalsContact CA-OD2 3.28Å; S158-D161 WeakPolarHBondContact CA-OD2 3.47Å; S158-D161 PolarHBondContact O-N 2.99Å; S158-F162 WeakPolarHBondContact O-CD2 3.42Å; S158-F162 PolarHBondContact O-N 3.12Å; S158-F162 WeakPolarHBondContact OG-CD2 3.39Å; S158-F162 WeakPolarHBondContact OG-CE2 3.32Å; S158-D194 PolarHBondContact N-OD2 3.34Å; S158-D194 PolarHBondContact OG-OD2 2.86Å
159G97.5Very high97.8Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-55.6-57.1-179.400000111.4L65 H157 G163L65-G159 WeakPolarHBondContact CD1-O 3.4Å; H157-G159 VanDerWaalsContact C-N 3.28Å; H157-G159 PolarHBondContact O-N 2.87Å; G159-G163 PolarHBondContact O-N 2.8Å
160Y98.2Very high98.2Very high5 Ų510.8 Ų10.82%0.027%0.066CC..Hα-helixtrans-64.5-42.2179.3-82-87000112.3F43 L65 N68 V69 F162 G163 Y164 Y277 A281F43-Y160 HydrophobicContact CE1-CG 4.29Å; F43-Y160 HydrophobicContact CE2-CD1 4.05Å; F43-Y160 HydrophobicContact CE2-CG 4.24Å; F43-Y160 HydrophobicContact CZ-CD1 4.03Å; F43-Y160 HydrophobicContact CZ-CD2 4.3Å; F43-Y160 AromaticContact CZ-CG 3.74Å; F43-Y160 HydrophobicContact CZ-CG 3.74Å; L65-Y160 HydrophobicContact CB-CE1 4.33Å; L65-Y160 HydrophobicContact CB-CE2 4.38Å; L65-Y160 HydrophobicContact CG-CD1 4.21Å; L65-Y160 HydrophobicContact CG-CE1 4.25Å; L65-Y160 HydrophobicContact CG-CG 4.35Å; N68-Y160 HydrophobicContact CB-CE1 3.96Å; V69-Y160 HydrophobicContact CG2-CD1 3.7Å; V69-Y160 HydrophobicContact CG2-CE1 4.15Å; Y160-F162 PolarHBondContact O-N 3.47Å; Y160-G163 CarbonylContact O-C 3.57Å; Y160-G163 WeakPolarHBondContact O-CA 3.38Å; Y160-G163 PolarHBondContact O-N 3.21Å; Y160-Y164 HydrophobicContact CD1-CE2 4.37Å; Y160-Y164 VanDerWaalsContact O-CD2 3.24Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.33Å; Y160-Y164 PolarHBondContact O-N 3.23Å; Y160-Y277 HydrophobicContact CD2-CE1 4.29Å; Y160-Y277 HydrophobicContact CE2-CD1 4.38Å; Y160-Y277 AromaticContact CE2-CE1 3.85Å; Y160-Y277 HydrophobicContact CE2-CE1 3.85Å; Y160-A281 HydrophobicContact CD2-CB 3.98Å; Y160-A281 HydrophobicContact CE2-CB 3.76Å
161D98.5Very high98.3Very high7 Ų714 Ų144%0.0377%0.072CC..Hα-helixtrans-55.2-52.6179.5-55-42000111.7T41 S158 G163 Y164 L165T41-D161 WeakPolarHBondContact CB-OD1 3.05Å; T41-D161 HydrophobicContact CG2-CB 3.93Å; T41-D161 PolarHBondContact N-OD1 2.8Å; T41-D161 PolarHBondContact OG1-OD1 2.95Å; S158-D161 VanDerWaalsContact CA-OD2 3.28Å; S158-D161 WeakPolarHBondContact CA-OD2 3.47Å; S158-D161 PolarHBondContact O-N 2.99Å; D161-G163 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 2.96Å; D161-Y164 PolarHBondContact O-N 2.94Å; D161-L165 PolarHBondContact O-N 3.46Å
162F98.6Very high98.3Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-69.6-31.7176.9-78.3-65.3000112.1M39 W153 S158 Y160 L165 I166 L185 F189 I192 L259M39-F162 HydrophobicContact SD-CE1 4.36Å; M39-F162 HydrophobicContact SD-CE2 4.25Å; M39-F162 HydrophobicContact SD-CZ 3.71Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CD2-CE1 4.39Å; W153-F162 AromaticContact CE3-CE1 3.83Å; W153-F162 HydrophobicContact CE3-CE1 3.83Å; W153-F162 HydrophobicContact CE3-CZ 4.15Å; S158-F162 WeakPolarHBondContact O-CD2 3.42Å; S158-F162 PolarHBondContact O-N 3.12Å; S158-F162 WeakPolarHBondContact OG-CD2 3.39Å; S158-F162 WeakPolarHBondContact OG-CE2 3.32Å; Y160-F162 PolarHBondContact O-N 3.47Å; F162-L165 HydrophobicContact CD1-CD1 4.39Å; F162-L165 PolarHBondContact O-N 3.06Å; F162-I166 WeakPolarHBondContact O-CB 3.39Å; F162-I166 WeakPolarHBondContact O-CG1 3.2Å; F162-I166 PolarHBondContact O-N 3.28Å; F162-L185 HydrophobicContact CB-CD1 3.66Å; F162-L185 HydrophobicContact CD1-CD1 3.78Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; F162-F189 HydrophobicContact CD1-CD1 4.42Å; F162-F189 AromaticContact CD1-CD2 3.84Å; F162-F189 HydrophobicContact CD1-CD2 3.84Å; F162-F189 AromaticContact CD1-CE2 3.96Å; F162-F189 HydrophobicContact CD1-CE2 3.96Å; F162-F189 HydrophobicContact CD1-CG 4.07Å; F162-F189 HydrophobicContact CD1-CZ 4.29Å; F162-F189 HydrophobicContact CE1-CB 4.18Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 AromaticContact CE1-CD2 3.99Å; F162-F189 HydrophobicContact CE1-CD2 3.99Å; F162-F189 HydrophobicContact CE1-CE1 4.14Å; F162-F189 HydrophobicContact CE1-CE2 4.31Å; F162-F189 AromaticContact CE1-CG 3.72Å; F162-F189 HydrophobicContact CE1-CG 3.72Å; F162-F189 HydrophobicContact CE1-CZ 4.37Å; F162-I192 HydrophobicContact CD1-CD1 4.37Å; F162-I192 HydrophobicContact CD2-CD1 4.42Å; F162-I192 HydrophobicContact CE1-CD1 3.95Å; F162-I192 HydrophobicContact CE1-CG1 4.2Å; F162-I192 HydrophobicContact CE2-CD1 4.01Å; F162-I192 HydrophobicContact CE2-CG1 4.23Å; F162-I192 HydrophobicContact CE2-CG2 3.59Å; F162-I192 HydrophobicContact CZ-CB 4.43Å; F162-I192 HydrophobicContact CZ-CD1 3.76Å; F162-I192 HydrophobicContact CZ-CG1 3.74Å; F162-I192 HydrophobicContact CZ-CG2 3.79Å; F162-L259 HydrophobicContact CB-CD1 4.47Å; F162-L259 HydrophobicContact CD2-CD1 4.28Å; F162-L259 HydrophobicContact CD2-CD2 3.86Å; F162-L259 HydrophobicContact CE2-CD2 4.06Å
163G98.6Very high98.3Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-54.3-51.9170.200000111.8G159 Y160 D161 I166 K167G159-G163 PolarHBondContact O-N 2.8Å; Y160-G163 CarbonylContact O-C 3.57Å; Y160-G163 WeakPolarHBondContact O-CA 3.38Å; Y160-G163 PolarHBondContact O-N 3.21Å; D161-G163 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 2.96Å; G163-I166 PolarHBondContact O-N 2.93Å; G163-K167 WeakPolarHBondContact O-CB 3.28Å; G163-K167 PolarHBondContact O-N 3.36Å
164Y98.8Very high98.2Very high2 Ų220.1 Ų20.11%0.00811%0.111CC..Hα-helixtrans-63.2-44.3177.2-79.3-72000112.3F43 V69 L72 I74 Y160 D161 I166 K167 I168F43-Y164 HydrophobicContact CB-CD2 4.21Å; F43-Y164 HydrophobicContact CB-CE1 4.46Å; F43-Y164 HydrophobicContact CB-CE2 3.41Å; F43-Y164 VanDerWaalsContact CB-CE2 3.41Å; F43-Y164 WeakPolarHBondContact CB-OH 3.44Å; F43-Y164 HydrophobicContact CD1-CD2 4.15Å; F43-Y164 AromaticContact CD1-CE2 3.66Å; F43-Y164 HydrophobicContact CD1-CE2 3.66Å; F43-Y164 AromaticContact CD2-CE2 3.8Å; F43-Y164 HydrophobicContact CD2-CE2 3.8Å; F43-Y164 HydrophobicContact CE1-CE2 4.36Å; F43-Y164 HydrophobicContact CE2-CE2 4.47Å; F43-Y164 HydrophobicContact CG-CD2 4.23Å; F43-Y164 AromaticContact CG-CE2 3.34Å; F43-Y164 HydrophobicContact CG-CE2 3.34Å; F43-Y164 AromaticContact CG-CZ 3.88Å; V69-Y164 HydrophobicContact CG1-CD1 4.22Å; V69-Y164 HydrophobicContact CG1-CE1 4.43Å; V69-Y164 HydrophobicContact CG1-CG 4.44Å; V69-Y164 HydrophobicContact CG2-CD2 4.32Å; V69-Y164 HydrophobicContact CG2-CE2 4.14Å; L72-Y164 VanDerWaalsContact CB-OH 3.3Å; L72-Y164 WeakPolarHBondContact CB-OH 3.31Å; I74-Y164 HydrophobicContact CB-CD1 3.9Å; I74-Y164 HydrophobicContact CB-CE1 4.42Å; I74-Y164 HydrophobicContact CB-CG 4.22Å; Y160-Y164 HydrophobicContact CD1-CE2 4.37Å; Y160-Y164 VanDerWaalsContact O-CD2 3.24Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.33Å; Y160-Y164 PolarHBondContact O-N 3.23Å; D161-Y164 PolarHBondContact O-N 2.94Å; Y164-I166 PolarHBondContact O-N 3.04Å; Y164-K167 PolarHBondContact O-N 3.26Å; Y164-I168 WeakPolarHBondContact O-CB 3.44Å; Y164-I168 WeakPolarHBondContact O-CD1 3.29Å; Y164-I168 WeakPolarHBondContact O-CG1 3.43Å; Y164-I168 PolarHBondContact O-N 2.99Å
165L98.8Very high98.2Very high1 Ų121.2 Ų21.21%0.00512%0.118CC..Hα-helixtrans-62.1-41.6178.1-71.5-179.7000112.3L77 W153 D161 F162 I168 L169 F189L77-L165 HydrophobicContact CD1-CD1 4.47Å; L77-L165 HydrophobicContact CD1-CD2 4.1Å; L77-L165 HydrophobicContact CD2-CD2 3.94Å; W153-L165 HydrophobicContact CZ3-CD1 3.9Å; D161-L165 PolarHBondContact O-N 3.46Å; F162-L165 HydrophobicContact CD1-CD1 4.39Å; F162-L165 PolarHBondContact O-N 3.06Å; L165-I168 PolarHBondContact O-N 3.48Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 WeakPolarHBondContact O-CD1 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 3.28Å; L165-F189 HydrophobicContact CB-CE2 4.28Å; L165-F189 HydrophobicContact CB-CZ 3.92Å; L165-F189 HydrophobicContact CD1-CE1 4.25Å; L165-F189 HydrophobicContact CD1-CZ 3.91Å
166I98.7Very high98.1Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-64.9-47.1176.5-67.2-69.9000110.5F162 G163 Y164 I168 L169 T170 L174 F181 I184 L185 F188 F189F162-I166 WeakPolarHBondContact O-CB 3.39Å; F162-I166 WeakPolarHBondContact O-CG1 3.2Å; F162-I166 PolarHBondContact O-N 3.28Å; G163-I166 PolarHBondContact O-N 2.93Å; Y164-I166 PolarHBondContact O-N 3.04Å; I166-I168 VanDerWaalsContact C-N 3.26Å; I166-I168 PolarHBondContact O-N 3.4Å; I166-L169 PolarHBondContact O-N 2.9Å; I166-T170 HydrophobicContact CG2-CG2 4.12Å; I166-T170 WeakPolarHBondContact O-CG2 3.46Å; I166-T170 PolarHBondContact O-N 3.24Å; I166-T170 PolarHBondContact O-OG1 2.88Å; I166-L174 HydrophobicContact CB-CD2 3.94Å; I166-L174 HydrophobicContact CG2-CD2 3.6Å; I166-F181 HydrophobicContact CB-CE2 4.2Å; I166-F181 HydrophobicContact CG1-CE2 4.04Å; I166-F181 HydrophobicContact CG2-CD2 4.44Å; I166-F181 HydrophobicContact CG2-CE2 4.41Å; I166-I184 HydrophobicContact CD1-CG2 4.08Å; I166-I184 HydrophobicContact CG2-CG2 4.09Å; I166-L185 HydrophobicContact CD1-CD1 4.09Å; I166-L185 HydrophobicContact CG1-CD1 3.92Å; I166-F188 HydrophobicContact CD1-CB 4.25Å; I166-F188 HydrophobicContact CD1-CD2 3.77Å; I166-F188 HydrophobicContact CD1-CG 4.31Å; I166-F189 HydrophobicContact CD1-CD2 4.11Å; I166-F189 HydrophobicContact CD1-CE2 3.81Å; I166-F189 HydrophobicContact CG1-CE2 4.31Å
167K98.8Very high97.9Very high44 Ų4430.9 Ų30.919%0.19116%0.163CC..Hα-helixtrans-53.4-44.6174.6177.3-177.7-179.3-179.30111.9V69 D70 L72 G163 Y164 N171 L174V69-K167 HydrophobicContact CG1-CB 4.05Å; V69-K167 HydrophobicContact CG1-CD 3.88Å; V69-K167 VanDerWaalsContact O-CD 3.23Å; V69-K167 WeakPolarHBondContact O-CD 3.2Å; V69-K167 WeakPolarHBondContact O-CE 3.27Å; V69-K167 PolarHBondContact O-NZ 3.26Å; D70-K167 PolarHBondContact O-NZ 3.34Å; L72-K167 PolarHBondContact O-NZ 3.49Å; G163-K167 WeakPolarHBondContact O-CB 3.28Å; G163-K167 PolarHBondContact O-N 3.36Å; Y164-K167 PolarHBondContact O-N 3.26Å; K167-N171 VanDerWaalsContact O-CA 3.3Å; K167-N171 WeakPolarHBondContact O-CA 3.37Å; K167-N171 PolarHBondContact O-N 2.98Å; K167-L174 HydrophobicContact CB-CD2 4.3Å
168I98.6Very high97.9Very high13 Ų1331.4 Ų31.47%0.06717%0.166CC..Hα-helixtrans-67.2-46.3-179.8-70.1164.9000111I74 T133 F136 A137 Y164 L165 I166 N171I74-I168 HydrophobicContact CD1-CD1 4.3Å; I74-I168 HydrophobicContact CG2-CD1 3.75Å; T133-I168 HydrophobicContact CG2-CD1 4.28Å; T133-I168 HydrophobicContact CG2-CG1 4.38Å; F136-I168 HydrophobicContact CD1-CG2 4.21Å; A137-I168 HydrophobicContact CB-CG2 3.69Å; A137-I168 WeakPolarHBondContact CB-O 3.36Å; Y164-I168 WeakPolarHBondContact O-CB 3.44Å; Y164-I168 WeakPolarHBondContact O-CD1 3.29Å; Y164-I168 WeakPolarHBondContact O-CG1 3.43Å; Y164-I168 PolarHBondContact O-N 2.99Å; L165-I168 PolarHBondContact O-N 3.48Å; I166-I168 VanDerWaalsContact C-N 3.26Å; I166-I168 PolarHBondContact O-N 3.4Å; I168-N171 PolarHBondContact O-N 2.69Å
169L98.5Very high97.8Very high9 Ų937.3 Ų37.35%0.04720%0.196CC..Hα-helixtrans-71.8-34.9-176-73.4166.3000113.1L140 M141 V146 L165 I166 F188 F189L140-L169 HydrophobicContact CD2-CD2 4.04Å; L140-L169 HydrophobicContact CG-CD2 4.41Å; M141-L169 HydrophobicContact CG-CD2 3.81Å; V146-L169 HydrophobicContact CG1-CD1 4.29Å; V146-L169 HydrophobicContact CG2-CD2 4.41Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 WeakPolarHBondContact O-CD1 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 3.28Å; I166-L169 PolarHBondContact O-N 2.9Å; L169-F188 HydrophobicContact CB-CD1 4.17Å; L169-F188 HydrophobicContact CB-CE1 3.8Å; L169-F188 HydrophobicContact CB-CE2 4.47Å; L169-F188 HydrophobicContact CB-CZ 3.96Å; L169-F188 HydrophobicContact CD1-CB 4.29Å; L169-F188 HydrophobicContact CD1-CD1 3.71Å; L169-F188 HydrophobicContact CD1-CE1 4.19Å; L169-F188 HydrophobicContact CD1-CG 4.02Å; L169-F188 HydrophobicContact CD2-CD1 4.42Å; L169-F188 HydrophobicContact CD2-CE1 4.3Å; L169-F188 HydrophobicContact CG-CD1 4.33Å; L169-F188 HydrophobicContact CG-CE1 4.33Å; L169-F189 HydrophobicContact CD1-CE2 3.93Å; L169-F189 HydrophobicContact CD1-CZ 3.61Å
170T98.3Very high97.8Very high44 Ų4440.8 Ų40.827%0.2722%0.215SC..Hα-helixtrans-85.7-16.8175.665.70000112.6I166 S172 I184 F188I166-T170 HydrophobicContact CG2-CG2 4.12Å; I166-T170 WeakPolarHBondContact O-CG2 3.46Å; I166-T170 PolarHBondContact O-N 3.24Å; I166-T170 PolarHBondContact O-OG1 2.88Å; T170-S172 WeakPolarHBondContact CB-OG 3.23Å; T170-S172 PolarHBondContact O-N 3.48Å; T170-S172 PolarHBondContact OG1-N 2.86Å; T170-S172 PolarHBondContact OG1-OG 3.24Å; T170-I184 HydrophobicContact CG2-CG2 4.01Å; T170-F188 HydrophobicContact CG2-CE2 4.09Å; T170-F188 HydrophobicContact CG2-CZ 4.48Å
171N97.8Very high97.8Very high118 Ų11840.5 Ų40.563%0.63121%0.214SC*.THydrogen-bonded Turntrans49.242.4-172.8-17146.6000111.9K167 I168K167-N171 VanDerWaalsContact O-CA 3.3Å; K167-N171 WeakPolarHBondContact O-CA 3.37Å; K167-N171 PolarHBondContact O-N 2.98Å; I168-N171 PolarHBondContact O-N 2.69Å
172S97.8Very high97.7Very high59 Ų5940.9 Ų40.941%0.41322%0.215SC..SBendtrans-145.6165.8-17871.50000110.1T170T170-S172 WeakPolarHBondContact CB-OG 3.23Å; T170-S172 PolarHBondContact O-N 3.48Å; T170-S172 PolarHBondContact OG1-N 2.86Å; T170-S172 PolarHBondContact OG1-OG 3.24Å
173N98.3Very high97.6Very high109 Ų10946.6 Ų46.658%0.58324%0.242SC*.PPolyproline II helixtrans-57.8153163.6-68.8-2.7000110.2D70D70-N173 VanDerWaalsContact OD1-CA 3.29Å; D70-N173 WeakPolarHBondContact OD1-CA 3.46Å
174L98.6Very high97.6Very high6 Ų648.9 Ų48.93%0.03125%0.254CS..PPolyproline II helixtrans-65.5151.3175.1-71.7-173.8000111.2L65 R66 V69 D70 I166 K167 F181L65-L174 HydrophobicContact CD2-CD1 3.61Å; R66-L174 HydrophobicContact CG-CB 3.84Å; V69-L174 HydrophobicContact CB-CD1 3.88Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.1Å; V69-L174 HydrophobicContact CG2-CD1 4.41Å; D70-L174 PolarHBondContact OD1-N 2.8Å; I166-L174 HydrophobicContact CB-CD2 3.94Å; I166-L174 HydrophobicContact CG2-CD2 3.6Å; K167-L174 HydrophobicContact CB-CD2 4.3Å; L174-F181 HydrophobicContact CD2-CD2 4.22Å; L174-F181 HydrophobicContact CD2-CE2 4.31Å
175P98.3Very high97.6Very high24 Ų2448.9 Ų48.916%0.15625%0.254CS..PPolyproline II helixtrans-55.3147.8179.3-27.637.2000113.1Y62 R66 E177 D180 F181 I184Y62-P175 WeakPolarHBondContact CE1-O 3.34Å; Y62-P175 PolarHBondContact OH-O 3.02Å; R66-P175 WeakPolarHBondContact CD-O 3.42Å; P175-E177 VanDerWaalsContact C-N 3.3Å; P175-E177 PolarHBondContact O-N 3.32Å; P175-D180 HydrophobicContact CB-CB 3.66Å; P175-D180 HydrophobicContact CG-CB 4.29Å; P175-F181 HydrophobicContact CG-CB 4.31Å; P175-I184 HydrophobicContact CG-CD1 3.62Å
176E95.9Very high97.5Very high145 Ų14555.9 Ų55.968%0.67828%0.28SS*.SBendtrans-67.1-34179.7-67.2-174.7178.700112.4Q63Q63-E176 PolarHBondContact NE2-O 3.42Å
177E94.7Very high97.5Very high60 Ų6061.4 Ų61.428%0.2831%0.309SS..SBendtrans-102.3138.3-177.4-63.2-71.3164.600111.4R55 P175 L179 D180 F181R55-E177 IonicContact CZ-OE1 3.48Å; R55-E177 IonicContact CZ-OE2 3.39Å; R55-E177 IonicContact NH1-OE1 3.46Å; R55-E177 PolarHBondContact NH1-OE1 3.04Å; R55-E177 IonicContact NH1-OE2 2.67Å; R55-E177 PolarHBondContact NH1-OE2 3.29Å; R55-E177 IonicContact NH2-OE1 2.73Å; R55-E177 PolarHBondContact NH2-OE1 3.45Å; R55-E177 IonicContact NH2-OE2 3.46Å; R55-E177 PolarHBondContact NH2-OE2 3.09Å; P175-E177 VanDerWaalsContact C-N 3.3Å; P175-E177 PolarHBondContact O-N 3.32Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.5Å; E177-D180 PolarHBondContact O-N 3.12Å; E177-F181 PolarHBondContact O-N 3.32Å
178E95.2Very high97.5Very high14 Ų1460.5 Ų60.57%0.06531%0.305CS..Hα-helixtrans-58.9-38.4-179.7-177.9-177-159.300111.9Y62 D180 F181 F182 G263Y62-E178 HydrophobicContact CD1-CB 3.7Å; Y62-E178 HydrophobicContact CD1-CG 4.45Å; Y62-E178 HydrophobicContact CD2-CB 4.15Å; Y62-E178 HydrophobicContact CD2-CG 4.04Å; Y62-E178 HydrophobicContact CE1-CB 4.27Å; Y62-E178 HydrophobicContact CG-CB 3.64Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; E178-D180 VanDerWaalsContact C-N 3.35Å; E178-D180 PolarHBondContact O-N 3.06Å; E178-F181 WeakPolarHBondContact O-CB 3.38Å; E178-F181 PolarHBondContact O-N 3.11Å; E178-F182 HydrophobicContact CG-CD2 3.83Å; E178-F182 HydrophobicContact CG-CE2 3.76Å; E178-F182 WeakPolarHBondContact O-CD2 3.44Å; E178-F182 PolarHBondContact O-N 2.87Å; E178-G263 WeakPolarHBondContact OE1-CA 3.01Å; E178-G263 PolarHBondContact OE1-N 2.82Å
179L95.1Very high97.5Very high123 Ų12360 Ų6064%0.64430%0.302SS*.Hα-helixtrans-61.1-44.2-179.9-67.6174.2000111.6E177 F181 F182 E183E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.5Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 2.81Å; L179-F182 PolarHBondContact O-N 3Å; L179-E183 WeakPolarHBondContact O-CG 3.46Å; L179-E183 PolarHBondContact O-N 3.48Å
180D97.4Very high97.4Very high73 Ų7361.2 Ų61.239%0.3931%0.311SS..Hα-helixtrans-65.8-37179.4-62.1-19.1000111P175 E177 E178 E183 I184P175-D180 HydrophobicContact CB-CB 3.66Å; P175-D180 HydrophobicContact CG-CB 4.29Å; E177-D180 PolarHBondContact O-N 3.12Å; E178-D180 VanDerWaalsContact C-N 3.35Å; E178-D180 PolarHBondContact O-N 3.06Å; D180-E183 PolarHBondContact O-N 3.26Å; D180-I184 WeakPolarHBondContact O-CG1 3.07Å; D180-I184 PolarHBondContact O-N 3.09Å
181F98Very high97.4Very high0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-59.1-47.5171.3167.2-97.7000111.9Y62 I166 L174 P175 E177 E178 L179 E183 I184 L185 L259Y62-F181 HydrophobicContact CD2-CD1 4.42Å; Y62-F181 HydrophobicContact CE2-CB 3.56Å; Y62-F181 AromaticContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD2 4.16Å; Y62-F181 AromaticContact CE2-CG 3.59Å; Y62-F181 HydrophobicContact CE2-CG 3.59Å; Y62-F181 VanDerWaalsContact OH-CB 3.31Å; Y62-F181 WeakPolarHBondContact OH-CB 3.46Å; I166-F181 HydrophobicContact CB-CE2 4.2Å; I166-F181 HydrophobicContact CG1-CE2 4.04Å; I166-F181 HydrophobicContact CG2-CD2 4.44Å; I166-F181 HydrophobicContact CG2-CE2 4.41Å; L174-F181 HydrophobicContact CD2-CD2 4.22Å; L174-F181 HydrophobicContact CD2-CE2 4.31Å; P175-F181 HydrophobicContact CG-CB 4.31Å; E177-F181 PolarHBondContact O-N 3.32Å; E178-F181 WeakPolarHBondContact O-CB 3.38Å; E178-F181 PolarHBondContact O-N 3.11Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 2.81Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.28Å; F181-I184 PolarHBondContact O-N 3.36Å; F181-L185 HydrophobicContact CE1-CD2 4.2Å; F181-L185 HydrophobicContact CZ-CD1 4.24Å; F181-L185 HydrophobicContact CZ-CD2 4.5Å; F181-L185 VanDerWaalsContact O-CB 3.27Å; F181-L185 WeakPolarHBondContact O-CB 3.34Å; F181-L185 PolarHBondContact O-N 2.89Å; F181-L259 HydrophobicContact CE1-CD1 4.33Å
182F96.9Very high97.4Very high15 Ų1554.3 Ų54.37%0.06627%0.273CS..Hα-helixtrans-67.3-30.5177.9-84.9-79.1000113.1E178 L179 L185 R186 L259 L262E178-F182 HydrophobicContact CG-CD2 3.83Å; E178-F182 HydrophobicContact CG-CE2 3.76Å; E178-F182 WeakPolarHBondContact O-CD2 3.44Å; E178-F182 PolarHBondContact O-N 2.87Å; L179-F182 PolarHBondContact O-N 3Å; F182-L185 HydrophobicContact CD1-CD2 3.88Å; F182-L185 HydrophobicContact CE1-CD2 4.03Å; F182-R186 WeakPolarHBondContact O-CD 3.46Å; F182-R186 WeakPolarHBondContact O-CG 3.24Å; F182-R186 PolarHBondContact O-N 3.35Å; F182-R186 VanDerWaalsContact O-N 3.11Å; F182-L259 HydrophobicContact CE1-CD1 4.24Å; F182-L259 HydrophobicContact CE1-CG 4.11Å; F182-L259 HydrophobicContact CZ-CD1 4.37Å; F182-L259 HydrophobicContact CZ-CG 4.39Å; F182-L262 HydrophobicContact CE2-CB 4.15Å; F182-L262 HydrophobicContact CZ-CB 3.86Å
183E97.6Very high97.5Very high120 Ų12052 Ų5256%0.56126%0.255SS*.Hα-helixtrans-62.9-48.5171.8-72.8-170.1174.600111.2L179 D180 F181 R186 L187L179-E183 WeakPolarHBondContact O-CG 3.46Å; L179-E183 PolarHBondContact O-N 3.48Å; D180-E183 PolarHBondContact O-N 3.26Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.28Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-L187 PolarHBondContact O-N 3.41Å
184I98.3Very high97.5Very high48 Ų4846.9 Ų46.925%0.24623%0.228CC..Hα-helixtrans-65.8-42.5177.2-61.4177.3000110.9I166 T170 P175 D180 F181 R186 L187 F188I166-I184 HydrophobicContact CD1-CG2 4.08Å; I166-I184 HydrophobicContact CG2-CG2 4.09Å; T170-I184 HydrophobicContact CG2-CG2 4.01Å; P175-I184 HydrophobicContact CG-CD1 3.62Å; D180-I184 WeakPolarHBondContact O-CG1 3.07Å; D180-I184 PolarHBondContact O-N 3.09Å; F181-I184 PolarHBondContact O-N 3.36Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.38Å; I184-L187 WeakPolarHBondContact O-CB 3.23Å; I184-L187 PolarHBondContact O-N 2.85Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.35Å; I184-F188 PolarHBondContact O-N 2.92Å
185L98.3Very high97.5Very high2 Ų246.6 Ų46.61%0.0123%0.226CC..Hα-helixtrans-54-46.7178.3-174.274.3000111.3F162 I166 F181 F182 L187 F188 F189 I192 L259F162-L185 HydrophobicContact CB-CD1 3.66Å; F162-L185 HydrophobicContact CD1-CD1 3.78Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; I166-L185 HydrophobicContact CD1-CD1 4.09Å; I166-L185 HydrophobicContact CG1-CD1 3.92Å; F181-L185 HydrophobicContact CE1-CD2 4.2Å; F181-L185 HydrophobicContact CZ-CD1 4.24Å; F181-L185 HydrophobicContact CZ-CD2 4.5Å; F181-L185 VanDerWaalsContact O-CB 3.27Å; F181-L185 WeakPolarHBondContact O-CB 3.34Å; F181-L185 PolarHBondContact O-N 2.89Å; F182-L185 HydrophobicContact CD1-CD2 3.88Å; F182-L185 HydrophobicContact CE1-CD2 4.03Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 PolarHBondContact O-N 2.97Å; L185-F188 PolarHBondContact O-N 3.49Å; L185-F189 HydrophobicContact CD1-CD2 3.81Å; L185-F189 HydrophobicContact CD1-CE2 4.46Å; L185-F189 WeakPolarHBondContact O-CA 3.49Å; L185-F189 WeakPolarHBondContact O-CB 3.3Å; L185-F189 PolarHBondContact O-N 3.06Å; L185-I192 HydrophobicContact CD1-CD1 4.19Å; L185-I192 HydrophobicContact CD2-CD1 3.88Å; L185-I192 HydrophobicContact CG-CD1 3.91Å; L185-L259 HydrophobicContact CD2-CD1 3.85Å; L185-L259 HydrophobicContact CD2-CG 4.35Å
186R97.3Very high97.4Very high147 Ų14746 Ų4656%0.55522%0.221SC*.Hα-helixtrans-65-26.9179.5-72.4168.6-170.61474.1113.5F182 E183 I184 P190F182-R186 WeakPolarHBondContact O-CD 3.46Å; F182-R186 WeakPolarHBondContact O-CG 3.24Å; F182-R186 PolarHBondContact O-N 3.35Å; F182-R186 VanDerWaalsContact O-N 3.11Å; E183-R186 PolarHBondContact O-N 2.97Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.38Å; R186-P190 VanDerWaalsContact O-CA 3.31Å; R186-P190 WeakPolarHBondContact O-CA 3.28Å
187L97.7Very high97.4Very high116 Ų11640.8 Ų40.861%0.60720%0.196SC*.Hα-helixtrans-68.4-51174.9-63.2174.9000110.3L147 E183 I184 L185L147-L187 WeakPolarHBondContact CD2-O 3.37Å; E183-L187 PolarHBondContact O-N 3.41Å; I184-L187 WeakPolarHBondContact O-CB 3.23Å; I184-L187 PolarHBondContact O-N 2.85Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 PolarHBondContact O-N 2.97Å
188F98.4Very high97.5Very high25 Ų2538 Ų3811%0.1118%0.183CC..Hα-helixtrans-75.3-35.6-177.3-72.7-79.3000113.1L147 I166 L169 T170 I184 L185L147-F188 HydrophobicContact CD1-CD1 4.27Å; L147-F188 HydrophobicContact CD1-CE1 4.21Å; L147-F188 HydrophobicContact CD2-CD1 3.64Å; L147-F188 HydrophobicContact CD2-CE1 3.96Å; L147-F188 HydrophobicContact CD2-CG 4.11Å; L147-F188 HydrophobicContact CG-CD1 3.79Å; L147-F188 HydrophobicContact CG-CE1 4.19Å; L147-F188 PolarHBondContact N-O 3.27Å; I166-F188 HydrophobicContact CD1-CB 4.25Å; I166-F188 HydrophobicContact CD1-CD2 3.77Å; I166-F188 HydrophobicContact CD1-CG 4.31Å; L169-F188 HydrophobicContact CB-CD1 4.17Å; L169-F188 HydrophobicContact CB-CE1 3.8Å; L169-F188 HydrophobicContact CB-CE2 4.47Å; L169-F188 HydrophobicContact CB-CZ 3.96Å; L169-F188 HydrophobicContact CD1-CB 4.29Å; L169-F188 HydrophobicContact CD1-CD1 3.71Å; L169-F188 HydrophobicContact CD1-CE1 4.19Å; L169-F188 HydrophobicContact CD1-CG 4.02Å; L169-F188 HydrophobicContact CD2-CD1 4.42Å; L169-F188 HydrophobicContact CD2-CE1 4.3Å; L169-F188 HydrophobicContact CG-CD1 4.33Å; L169-F188 HydrophobicContact CG-CE1 4.33Å; T170-F188 HydrophobicContact CG2-CE2 4.09Å; T170-F188 HydrophobicContact CG2-CZ 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.35Å; I184-F188 PolarHBondContact O-N 2.92Å; L185-F188 PolarHBondContact O-N 3.49Å
189F98.4Very high97.6Very high2 Ų238 Ų381%0.00918%0.183CC..  trans-133.372.9-170.8-51.8-76.5000109.8V146 W153 F162 L165 I166 L169 L185 V191 I192V146-F189 HydrophobicContact CG1-CD1 4.41Å; V146-F189 HydrophobicContact CG1-CE1 3.66Å; V146-F189 HydrophobicContact CG1-CZ 4.1Å; W153-F189 AromaticContact CD1-CD1 3.95Å; W153-F189 AromaticContact CD2-CD1 3.43Å; W153-F189 HydrophobicContact CD2-CD1 3.43Å; W153-F189 VanDerWaalsContact CD2-CD1 3.43Å; W153-F189 AromaticContact CD2-CE1 3.8Å; W153-F189 HydrophobicContact CD2-CE1 3.8Å; W153-F189 AromaticContact CE2-CD1 3.41Å; W153-F189 VanDerWaalsContact CE2-CD1 3.41Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 AromaticContact CE3-CD1 3.72Å; W153-F189 HydrophobicContact CE3-CD1 3.72Å; W153-F189 AromaticContact CE3-CE1 3.68Å; W153-F189 HydrophobicContact CE3-CE1 3.68Å; W153-F189 AromaticContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CH2-CD1 4.27Å; W153-F189 AromaticContact CH2-CE1 3.63Å; W153-F189 HydrophobicContact CH2-CE1 3.63Å; W153-F189 AromaticContact CZ2-CD1 3.83Å; W153-F189 HydrophobicContact CZ2-CD1 3.83Å; W153-F189 AromaticContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ3-CD1 4.19Å; W153-F189 AromaticContact CZ3-CE1 3.68Å; W153-F189 HydrophobicContact CZ3-CE1 3.68Å; W153-F189 AromaticContact NE1-CD1 3.65Å; F162-F189 HydrophobicContact CD1-CD1 4.42Å; F162-F189 AromaticContact CD1-CD2 3.84Å; F162-F189 HydrophobicContact CD1-CD2 3.84Å; F162-F189 AromaticContact CD1-CE2 3.96Å; F162-F189 HydrophobicContact CD1-CE2 3.96Å; F162-F189 HydrophobicContact CD1-CG 4.07Å; F162-F189 HydrophobicContact CD1-CZ 4.29Å; F162-F189 HydrophobicContact CE1-CB 4.18Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 AromaticContact CE1-CD2 3.99Å; F162-F189 HydrophobicContact CE1-CD2 3.99Å; F162-F189 HydrophobicContact CE1-CE1 4.14Å; F162-F189 HydrophobicContact CE1-CE2 4.31Å; F162-F189 AromaticContact CE1-CG 3.72Å; F162-F189 HydrophobicContact CE1-CG 3.72Å; F162-F189 HydrophobicContact CE1-CZ 4.37Å; L165-F189 HydrophobicContact CB-CE2 4.28Å; L165-F189 HydrophobicContact CB-CZ 3.92Å; L165-F189 HydrophobicContact CD1-CE1 4.25Å; L165-F189 HydrophobicContact CD1-CZ 3.91Å; I166-F189 HydrophobicContact CD1-CD2 4.11Å; I166-F189 HydrophobicContact CD1-CE2 3.81Å; I166-F189 HydrophobicContact CG1-CE2 4.31Å; L169-F189 HydrophobicContact CD1-CE2 3.93Å; L169-F189 HydrophobicContact CD1-CZ 3.61Å; L185-F189 HydrophobicContact CD1-CD2 3.81Å; L185-F189 HydrophobicContact CD1-CE2 4.46Å; L185-F189 WeakPolarHBondContact O-CA 3.49Å; L185-F189 WeakPolarHBondContact O-CB 3.3Å; L185-F189 PolarHBondContact O-N 3.06Å; F189-V191 PolarHBondContact O-N 2.99Å; F189-I192 HydrophobicContact CB-CD1 3.63Å; F189-I192 HydrophobicContact CB-CG1 3.81Å
190P97.3Very high97.4Very high36 Ų3637.6 Ų37.623%0.23418%0.176CC..SBendtrans-64.5-25.6-172.323.7-34000113.5C148 E149 R186C148-P190 WeakPolarHBondContact O-CG 3.34Å; E149-P190 HydrophobicContact CG-CB 4.44Å; E149-P190 HydrophobicContact CG-CG 4.35Å; R186-P190 VanDerWaalsContact O-CA 3.31Å; R186-P190 WeakPolarHBondContact O-CA 3.28Å
191V98.3Very high97.2Very high14 Ų1436.6 Ų36.69%0.08518%0.175CC..  trans-129.8112.3178.4-172.70000110.7K152 W153 F189 Y193K152-V191 HydrophobicContact CD-CB 3.74Å; K152-V191 HydrophobicContact CD-CG1 3.3Å; K152-V191 HydrophobicContact CD-CG2 4.16Å; W153-V191 WeakPolarHBondContact CB-O 3.03Å; W153-V191 PolarHBondContact N-O 2.91Å; F189-V191 PolarHBondContact O-N 2.99Å; V191-Y193 HydrophobicContact CG1-CE2 4.01Å
192I98.6Very high96.9Very high2 Ų236.9 Ų36.91%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-126.9135.8178.3-60.5162.1000109.2W153 F162 L185 F189 C256 G257 L259W153-I192 HydrophobicContact CB-CG1 4.02Å; W153-I192 CarbonylContact O-C 3.57Å; W153-I192 WeakPolarHBondContact O-CA 3.25Å; F162-I192 HydrophobicContact CD1-CD1 4.37Å; F162-I192 HydrophobicContact CD2-CD1 4.42Å; F162-I192 HydrophobicContact CE1-CD1 3.95Å; F162-I192 HydrophobicContact CE1-CG1 4.2Å; F162-I192 HydrophobicContact CE2-CD1 4.01Å; F162-I192 HydrophobicContact CE2-CG1 4.23Å; F162-I192 HydrophobicContact CE2-CG2 3.59Å; F162-I192 HydrophobicContact CZ-CB 4.43Å; F162-I192 HydrophobicContact CZ-CD1 3.76Å; F162-I192 HydrophobicContact CZ-CG1 3.74Å; F162-I192 HydrophobicContact CZ-CG2 3.79Å; L185-I192 HydrophobicContact CD1-CD1 4.19Å; L185-I192 HydrophobicContact CD2-CD1 3.88Å; L185-I192 HydrophobicContact CG-CD1 3.91Å; F189-I192 HydrophobicContact CB-CD1 3.63Å; F189-I192 HydrophobicContact CB-CG1 3.81Å; I192-C256 WeakPolarHBondContact O-CA 3.28Å; I192-G257 PolarHBondContact O-N 3.35Å; I192-L259 HydrophobicContact CD1-CD2 4.38Å; I192-L259 HydrophobicContact CG2-CD2 3.86Å
193Y98.6Very high96.3Very high11 Ų1146.2 Ų46.24%0.04322%0.217CC..EExtended strand (participates in β ladder)trans-122.2110.6164.8-55.9-62.6000110.3W153 L154 S155 V191 V195 F238 I250 D252 C256W153-Y193 PolarHBondContact O-N 3.32Å; L154-Y193 HydrophobicContact CD2-CD2 3.9Å; S155-Y193 PolarHBondContact N-O 2.94Å; S155-Y193 VanDerWaalsContact N-O 3.11Å; V191-Y193 HydrophobicContact CG1-CE2 4.01Å; Y193-V195 PolarHBondContact O-N 3.07Å; Y193-F238 AromaticContact CD2-CE2 3.74Å; Y193-F238 HydrophobicContact CD2-CE2 3.74Å; Y193-F238 AromaticContact CD2-CZ 3.85Å; Y193-F238 HydrophobicContact CD2-CZ 3.85Å; Y193-F238 HydrophobicContact CE2-CZ 4.32Å; Y193-F238 AromaticContact CG-CE2 3.99Å; Y193-F238 HydrophobicContact CG-CE2 3.99Å; Y193-I250 HydrophobicContact CD1-CB 4.43Å; Y193-I250 HydrophobicContact CD1-CG2 3.68Å; Y193-I250 HydrophobicContact CE1-CB 3.99Å; Y193-I250 HydrophobicContact CE1-CG2 3.48Å; Y193-I250 VanDerWaalsContact CE1-CG2 3.48Å; Y193-I250 HydrophobicContact CG-CG2 4.47Å; Y193-D252 WeakPolarHBondContact CE1-OD1 3.27Å; Y193-D252 PolarHBondContact OH-OD1 2.91Å; Y193-C256 HydrophobicContact CE1-CB 4.12Å
194D98.6Very high95.9Very high1 Ų146.8 Ų46.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-83112.5172.3-170.9-45.5000109.5H157 S158 K196 Y197 L198 H258 Y260H157-D194 WeakPolarHBondContact CA-OD2 3.35Å; H157-D194 PolarHBondContact N-OD1 3.02Å; H157-D194 PolarHBondContact N-OD2 3.41Å; S158-D194 PolarHBondContact N-OD2 3.34Å; S158-D194 PolarHBondContact OG-OD2 2.86Å; D194-K196 VanDerWaalsContact C-N 3.26Å; D194-K196 PolarHBondContact O-N 3.28Å; D194-K196 WeakPolarHBondContact OD1-CB 3.36Å; D194-K196 PolarHBondContact OD1-N 2.69Å; D194-Y197 WeakPolarHBondContact O-CA 3.48Å; D194-Y197 WeakPolarHBondContact O-CB 3.35Å; D194-Y197 PolarHBondContact O-N 2.86Å; D194-Y197 PolarHBondContact OD1-N 3.42Å; D194-L198 PolarHBondContact O-N 2.67Å; D194-H258 WeakPolarHBondContact CB-O 3.29Å; D194-Y260 PolarHBondContact OD2-N 2.82Å
195V98.1Very high95.6Very high0 Ų045.3 Ų45.30%022%0.217CC..Hα-helixtrans-58.4-38.7-178.2173.60000111.2S155 F156 Y193 Y197 L198 M199 T234 A237 F238 M241S155-V195 WeakPolarHBondContact O-CB 3.26Å; S155-V195 WeakPolarHBondContact O-CG2 3.48Å; S155-V195 PolarHBondContact O-N 3.07Å; F156-V195 HydrophobicContact CD2-CB 3.88Å; F156-V195 HydrophobicContact CD2-CG1 3.81Å; F156-V195 HydrophobicContact CE2-CG1 4.22Å; Y193-V195 PolarHBondContact O-N 3.07Å; V195-Y197 VanDerWaalsContact C-N 3.28Å; V195-Y197 PolarHBondContact O-N 2.82Å; V195-L198 WeakPolarHBondContact O-CB 3.38Å; V195-L198 PolarHBondContact O-N 3.34Å; V195-M199 HydrophobicContact CG1-SD 4.45Å; V195-M199 VanDerWaalsContact O-CG 3.23Å; V195-M199 WeakPolarHBondContact O-CG 3.44Å; V195-M199 PolarHBondContact O-N 2.94Å; V195-T234 HydrophobicContact CG2-CG2 4.16Å; V195-A237 HydrophobicContact CG1-CB 4.32Å; V195-F238 HydrophobicContact CG2-CB 3.9Å; V195-F238 HydrophobicContact CG2-CD2 4.37Å; V195-M241 HydrophobicContact CG1-CE 4.2Å; V195-M241 HydrophobicContact CG1-SD 3.64Å
196K97.1Very high95.3Very high11 Ų1152.6 Ų52.65%0.04825%0.248CC..Hα-helixtrans-67.2-32176.8-163.9179.4174.5100.80111.4F156 H157 D194 G207 Y260 E280F156-K196 HydrophobicContact CD1-CB 4.29Å; F156-K196 HydrophobicContact CD1-CD 4.46Å; F156-K196 HydrophobicContact CD2-CB 4.22Å; F156-K196 HydrophobicContact CE1-CB 4.12Å; F156-K196 HydrophobicContact CE1-CD 3.86Å; F156-K196 HydrophobicContact CE1-CG 4.16Å; F156-K196 HydrophobicContact CE2-CB 4.05Å; F156-K196 HydrophobicContact CE2-CG 4.48Å; F156-K196 HydrophobicContact CG-CB 4.32Å; F156-K196 HydrophobicContact CZ-CB 3.99Å; F156-K196 HydrophobicContact CZ-CD 4.17Å; F156-K196 HydrophobicContact CZ-CG 3.99Å; H157-K196 HydrophobicContact CB-CB 4.35Å; H157-K196 HydrophobicContact CB-CD 3.52Å; D194-K196 VanDerWaalsContact C-N 3.26Å; D194-K196 PolarHBondContact O-N 3.28Å; D194-K196 WeakPolarHBondContact OD1-CB 3.36Å; D194-K196 PolarHBondContact OD1-N 2.69Å; K196-G207 PolarHBondContact NZ-O 2.9Å; K196-Y260 HydrophobicContact CB-CD2 4.2Å; K196-Y260 HydrophobicContact CB-CG 4.21Å; K196-Y260 HydrophobicContact CD-CD1 3.81Å; K196-Y260 HydrophobicContact CD-CD2 4.08Å; K196-Y260 HydrophobicContact CD-CE1 3.93Å; K196-Y260 HydrophobicContact CD-CE2 4.23Å; K196-Y260 HydrophobicContact CD-CG 3.86Å; K196-Y260 VanDerWaalsContact CE-CZ 3.47Å; K196-Y260 HydrophobicContact CG-CD1 4.36Å; K196-Y260 HydrophobicContact CG-CD2 3.72Å; K196-Y260 HydrophobicContact CG-CE2 3.98Å; K196-Y260 HydrophobicContact CG-CG 3.92Å; K196-E280 VanDerWaalsContact CE-OE2 3.28Å; K196-E280 WeakPolarHBondContact CE-OE2 3.32Å; K196-E280 VanDerWaalsContact NZ-CD 3.28Å; K196-E280 IonicContact NZ-OE1 2.81Å; K196-E280 PolarHBondContact NZ-OE1 2.87Å; K196-E280 IonicContact NZ-OE2 3.31Å; K196-E280 PolarHBondContact NZ-OE2 3.14Å
197Y96.3Very high95.1Very high36 Ų3646.8 Ų46.814%0.14123%0.234CC..Hα-helixtrans-69.9-44.1170.9-171.3-95.5000112.1D194 V195 M199 K200 Y255 H258D194-Y197 WeakPolarHBondContact O-CA 3.48Å; D194-Y197 WeakPolarHBondContact O-CB 3.35Å; D194-Y197 PolarHBondContact O-N 2.86Å; D194-Y197 PolarHBondContact OD1-N 3.42Å; V195-Y197 VanDerWaalsContact C-N 3.28Å; V195-Y197 PolarHBondContact O-N 2.82Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 3.2Å; Y197-K200 HydrophobicContact CD2-CD 4.15Å; Y197-K200 HydrophobicContact CE2-CD 4.31Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.09Å; Y197-K200 WeakPolarHBondContact O-CG 3.41Å; Y197-K200 PolarHBondContact O-N 2.96Å; Y197-K200 VanDerWaalsContact O-N 3.12Å; Y197-Y255 AromaticContact CD1-CD1 3.91Å; Y197-Y255 HydrophobicContact CD1-CD1 3.91Å; Y197-Y255 AromaticContact CE1-CD1 3.8Å; Y197-Y255 HydrophobicContact CE1-CD1 3.8Å; Y197-Y255 HydrophobicContact CE1-CE1 4.41Å; Y197-H258 HydrophobicContact CD1-CB 3.82Å; Y197-H258 HydrophobicContact CD2-CB 4.3Å; Y197-H258 HydrophobicContact CE1-CB 3.64Å; Y197-H258 HydrophobicContact CE2-CB 4.12Å; Y197-H258 HydrophobicContact CG-CB 4.17Å; Y197-H258 AromaticContact CZ-CG 3.99Å
198L96.8Very high95Very high2 Ų242.7 Ų42.71%0.0122%0.22CC..Hα-helixtrans-57.1-40.3175.7-69.9174.3000112.2D194 V195 K200 S201 F238 M241 F246 I250 Y255D194-L198 PolarHBondContact O-N 2.67Å; V195-L198 WeakPolarHBondContact O-CB 3.38Å; V195-L198 PolarHBondContact O-N 3.34Å; L198-K200 PolarHBondContact O-N 3.4Å; L198-S201 PolarHBondContact O-N 2.96Å; L198-F238 HydrophobicContact CD1-CD2 3.88Å; L198-F238 HydrophobicContact CD1-CE2 3.98Å; L198-M241 HydrophobicContact CB-CE 3.75Å; L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.06Å; L198-F246 HydrophobicContact CD2-CE1 4.21Å; L198-F246 HydrophobicContact CD2-CZ 4.04Å; L198-I250 HydrophobicContact CD1-CD1 4.46Å; L198-I250 HydrophobicContact CD2-CD1 4.32Å; L198-I250 HydrophobicContact CD2-CG2 3.97Å; L198-Y255 HydrophobicContact CD2-CD1 3.54Å; L198-Y255 HydrophobicContact CD2-CD2 4.09Å; L198-Y255 HydrophobicContact CD2-CE1 4.07Å; L198-Y255 HydrophobicContact CD2-CG 3.54Å
199M95.8Very high94.8Very high13 Ų1342.2 Ų42.26%0.06422%0.219CC..G310 helixtrans-56-24.9178.1-73.1162.95600113.6F156 V195 Y197 S201 C202 L205 V212 M241F156-M199 HydrophobicContact CE2-SD 3.58Å; F156-M199 VanDerWaalsContact CE2-SD 3.58Å; F156-M199 HydrophobicContact CZ-SD 4.09Å; V195-M199 HydrophobicContact CG1-SD 4.45Å; V195-M199 VanDerWaalsContact O-CG 3.23Å; V195-M199 WeakPolarHBondContact O-CG 3.44Å; V195-M199 PolarHBondContact O-N 2.94Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 3.2Å; M199-S201 PolarHBondContact O-N 3.25Å; M199-S201 VanDerWaalsContact O-N 3.08Å; M199-C202 WeakPolarHBondContact O-CA 3.23Å; M199-C202 WeakPolarHBondContact O-CB 3.16Å; M199-C202 PolarHBondContact O-N 2.84Å; M199-L205 HydrophobicContact CB-CB 4.4Å; M199-L205 HydrophobicContact CE-CB 4.37Å; M199-L205 HydrophobicContact CG-CB 4.09Å; M199-L205 HydrophobicContact CG-CD1 4.37Å; M199-V212 HydrophobicContact CE-CG2 3.2Å; M199-V212 HydrophobicContact SD-CB 4.48Å; M199-V212 HydrophobicContact SD-CG1 4.24Å; M199-V212 HydrophobicContact SD-CG2 3.48Å; M199-V212 WeakPolarHBondContact SD-CG2 3.49Å; M199-M241 HydrophobicContact CG-CE 3.72Å; M199-M241 HydrophobicContact CG-SD 4.13Å
200K92.4Very high94.6Very high115 Ų11544.4 Ų44.450%0.523%0.229SC..G310 helixtrans-58.3-24.6175.2-65.6-178175.81770113.1Y197 L198 Y260Y197-K200 HydrophobicContact CD2-CD 4.15Å; Y197-K200 HydrophobicContact CE2-CD 4.31Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.09Å; Y197-K200 WeakPolarHBondContact O-CG 3.41Å; Y197-K200 PolarHBondContact O-N 2.96Å; Y197-K200 VanDerWaalsContact O-N 3.12Å; L198-K200 PolarHBondContact O-N 3.4Å; K200-Y260 VanDerWaalsContact CE-CD2 3.46Å
201S92.2Very high94.5Very high53 Ų5347.7 Ų47.737%0.37124%0.241SC..G310 helixtrans-93.2-2.8176.1-57.50000113.3L198 M199 Y255L198-S201 PolarHBondContact O-N 2.96Å; M199-S201 PolarHBondContact O-N 3.25Å; M199-S201 VanDerWaalsContact O-N 3.08Å; S201-Y255 VanDerWaalsContact CB-OH 3.28Å; S201-Y255 WeakPolarHBondContact CB-OH 2.92Å; S201-Y255 PolarHBondContact OG-OH 3.48Å
202C92Very high94.4Very high5 Ų547 Ų473%0.03424%0.237CC..  trans-107.397.8-177.5-56.90000109.7M199 N204 L205 F245M199-C202 WeakPolarHBondContact O-CA 3.23Å; M199-C202 WeakPolarHBondContact O-CB 3.16Å; M199-C202 PolarHBondContact O-N 2.84Å; C202-N204 PolarHBondContact O-N 3.45Å; C202-L205 HydrophobicContact CB-CB 3.97Å; C202-L205 HydrophobicContact CB-CD1 3.84Å; C202-L205 HydrophobicContact CB-CG 3.97Å; C202-L205 PolarHBondContact O-N 3.19Å; C202-F245 HydrophobicContact CB-CG 4.46Å
203K84.8Confident94.2Very high211 Ų21147 Ų4792%0.91724%0.237SC*.THydrogen-bonded Turntrans-52.9-28.2-171-71.6-176.7179.2176.60115.8
204N88.4Confident94.1Very high133 Ų13352.5 Ų52.571%0.71126%0.263SS*.THydrogen-bonded Turntrans-103.3-4.2-173.9-62-18.2000113.4C202 Q215C202-N204 PolarHBondContact O-N 3.45Å; N204-Q215 PolarHBondContact O-OE1 3.24Å
205L91.6Very high94Very high16 Ų1656.1 Ų56.18%0.08428%0.28CS..  trans-100.1126.5-180-61.4-178.4000110.8M199 C202 Q215 L216 M241 F245M199-L205 HydrophobicContact CB-CB 4.4Å; M199-L205 HydrophobicContact CE-CB 4.37Å; M199-L205 HydrophobicContact CG-CB 4.09Å; M199-L205 HydrophobicContact CG-CD1 4.37Å; C202-L205 HydrophobicContact CB-CB 3.97Å; C202-L205 HydrophobicContact CB-CD1 3.84Å; C202-L205 HydrophobicContact CB-CG 3.97Å; C202-L205 PolarHBondContact O-N 3.19Å; L205-Q215 VanDerWaalsContact CA-OE1 3.28Å; L205-Q215 HydrophobicContact CD2-CB 3.81Å; L205-L216 HydrophobicContact CD1-CD2 4.14Å; L205-L216 HydrophobicContact CD2-CD2 3.94Å; L205-L216 HydrophobicContact CD2-CG 4.1Å; L205-M241 HydrophobicContact CD1-CE 4.13Å; L205-M241 HydrophobicContact CD1-CG 3.75Å; L205-M241 HydrophobicContact CD1-SD 3.8Å; L205-F245 HydrophobicContact CD1-CD2 4.32Å; L205-F245 HydrophobicContact CD1-CE2 3.76Å; L205-F245 HydrophobicContact CD1-CZ 4.31Å; L205-F245 HydrophobicContact CG-CE2 4.36Å; L205-F245 HydrophobicContact CG-CZ 4.43Å
206K92.4Very high93.8Very high156 Ų15656.4 Ų56.468%0.67828%0.281SS*.  trans-154.4156.1178.360.2-178.9179178.20109.9Q215K206-Q215 VanDerWaalsContact N-OE1 3.13Å; K206-Q215 PolarHBondContact O-NE2 3.42Å; K206-Q215 PolarHBondContact O-OE1 3.43Å
207G93.8Very high93.8Very high24 Ų2464.6 Ų64.625%0.24732%0.32CS..SBendtrans114.2-163173.200000115.7K196 E211K196-G207 PolarHBondContact NZ-O 2.9Å; G207-E211 WeakPolarHBondContact CA-OE2 3.44Å
208G94.3Very high93.8Very high31 Ų3164.7 Ų64.732%0.3232%0.323SS..SBendtrans-82.7174166.500000112.3Q210 E211 V212G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.17Å; G208-E211 PolarHBondContact N-OE2 2.99Å; G208-E211 PolarHBondContact O-N 3.44Å; G208-E211 VanDerWaalsContact O-N 3.13Å; G208-V212 WeakPolarHBondContact O-CG2 3.4Å; G208-V212 PolarHBondContact O-N 3.38Å; G208-V212 VanDerWaalsContact O-N 3.07Å
209L95.3Very high93.7Very high15 Ų1570.2 Ų70.28%0.07935%0.349CS..Hα-helixtrans-57-40.3-175-178.661.6000112.7F156 V212 A213 D230 L233 T234F156-L209 HydrophobicContact CB-CD1 4.45Å; F156-L209 HydrophobicContact CD1-CB 4.05Å; F156-L209 HydrophobicContact CD2-CB 4.28Å; F156-L209 HydrophobicContact CD2-CD1 3.68Å; F156-L209 HydrophobicContact CE1-CB 4.05Å; F156-L209 HydrophobicContact CE2-CB 4.27Å; F156-L209 HydrophobicContact CE2-CD1 4.09Å; F156-L209 HydrophobicContact CG-CB 4.19Å; F156-L209 HydrophobicContact CG-CD1 4.07Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; L209-V212 PolarHBondContact O-N 3.01Å; L209-A213 PolarHBondContact O-N 3.37Å; L209-D230 HydrophobicContact CD2-CB 3.91Å; L209-D230 WeakPolarHBondContact CD2-O 3.25Å; L209-L233 HydrophobicContact CD1-CG 4.4Å; L209-L233 HydrophobicContact CD2-CB 4.29Å; L209-L233 HydrophobicContact CD2-CD2 4.43Å; L209-L233 HydrophobicContact CG-CB 4.49Å; L209-L233 HydrophobicContact CG-CD2 4.05Å; L209-L233 HydrophobicContact CG-CG 4.25Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.48Å
210Q94.5Very high93.6Very high47 Ų4771.8 Ų71.822%0.2235%0.354CS..Hα-helixtrans-63.5-44.2177-175.65739.100112.8G208 V212 A213 E214 R220G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.17Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 2.84Å; Q210-A213 WeakPolarHBondContact O-CB 3.47Å; Q210-A213 PolarHBondContact O-N 2.9Å; Q210-E214 PolarHBondContact NE2-OE1 3.15Å; Q210-E214 WeakPolarHBondContact O-CG 3.5Å; Q210-E214 PolarHBondContact O-N 3.07Å; Q210-R220 VanDerWaalsContact OE1-CZ 3.31Å
211E95.6Very high93.7Very high105 Ų10568.3 Ų68.349%0.49134%0.34SS..Hα-helixtrans-65.5-35178.2-63.8-177.5154.500111.3G207 G208 E214 Q215G207-E211 WeakPolarHBondContact CA-OE2 3.44Å; G208-E211 PolarHBondContact N-OE2 2.99Å; G208-E211 PolarHBondContact O-N 3.44Å; G208-E211 VanDerWaalsContact O-N 3.13Å; E211-E214 PolarHBondContact O-N 3.13Å; E211-Q215 VanDerWaalsContact O-CD 3.28Å; E211-Q215 WeakPolarHBondContact O-CG 3.33Å; E211-Q215 PolarHBondContact O-N 3.33Å; E211-Q215 PolarHBondContact O-NE2 3.31Å
212V95.1Very high93.8Very high0 Ų067.7 Ų67.70%034%0.343CS..Hα-helixtrans-68.9-41.7176.2174.60000111F156 M199 G208 L209 Q210 E214 Q215 L216F156-V212 HydrophobicContact CE2-CG2 4.26Å; F156-V212 HydrophobicContact CZ-CG2 4.44Å; M199-V212 HydrophobicContact CE-CG2 3.2Å; M199-V212 HydrophobicContact SD-CB 4.48Å; M199-V212 HydrophobicContact SD-CG1 4.24Å; M199-V212 HydrophobicContact SD-CG2 3.48Å; M199-V212 WeakPolarHBondContact SD-CG2 3.49Å; G208-V212 WeakPolarHBondContact O-CG2 3.4Å; G208-V212 PolarHBondContact O-N 3.38Å; G208-V212 VanDerWaalsContact O-N 3.07Å; L209-V212 PolarHBondContact O-N 3.01Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 2.84Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.42Å; V212-Q215 PolarHBondContact O-N 2.96Å; V212-L216 HydrophobicContact CG1-CD1 3.73Å; V212-L216 HydrophobicContact CG1-CG 4.32Å; V212-L216 WeakPolarHBondContact O-CB 3.31Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 3.03Å
213A95.1Very high93.8Very high2 Ų270.3 Ų70.32%0.01736%0.359CS..Hα-helixtrans-59.4-43.6174.400000112L209 Q210 L216 E217 L218 L233L209-A213 PolarHBondContact O-N 3.37Å; Q210-A213 WeakPolarHBondContact O-CB 3.47Å; Q210-A213 PolarHBondContact O-N 2.9Å; A213-L216 CarbonylContact O-C 3.56Å; A213-L216 PolarHBondContact O-N 3.18Å; A213-E217 PolarHBondContact O-N 3.4Å; A213-L218 HydrophobicContact CB-CB 4.13Å; A213-L218 PolarHBondContact O-N 3.3Å; A213-L233 HydrophobicContact CB-CD1 3.64Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.88Å
214E95.8Very high94.2Very high126 Ų12664 Ų6459%0.58933%0.333SS*.Hα-helixtrans-62.2-43.4175.3-71.7169.1-16400112.2Q210 E211 V212 L216 E217Q210-E214 PolarHBondContact NE2-OE1 3.15Å; Q210-E214 WeakPolarHBondContact O-CG 3.5Å; Q210-E214 PolarHBondContact O-N 3.07Å; E211-E214 PolarHBondContact O-N 3.13Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.42Å; E214-L216 PolarHBondContact O-N 3.2Å; E214-E217 PolarHBondContact O-N 2.86Å
215Q95.9Very high94.4Very high77 Ų7759.6 Ų59.636%0.3631%0.308SS..Hα-helixtrans-65.6-27.2177-69.9160.724.200113.1N204 L205 K206 E211 V212N204-Q215 PolarHBondContact O-OE1 3.24Å; L205-Q215 VanDerWaalsContact CA-OE1 3.28Å; L205-Q215 HydrophobicContact CD2-CB 3.81Å; K206-Q215 VanDerWaalsContact N-OE1 3.13Å; K206-Q215 PolarHBondContact O-NE2 3.42Å; K206-Q215 PolarHBondContact O-OE1 3.43Å; E211-Q215 VanDerWaalsContact O-CD 3.28Å; E211-Q215 WeakPolarHBondContact O-CG 3.33Å; E211-Q215 PolarHBondContact O-N 3.33Å; E211-Q215 PolarHBondContact O-NE2 3.31Å; V212-Q215 PolarHBondContact O-N 2.96Å
216L95.6Very high94.6Very high6 Ų659.7 Ų59.73%0.03131%0.308CS..THydrogen-bonded Turntrans-96.21.5178.1-67.6177000113.4L205 V212 A213 E214 L218 A237 K240 M241 M244 F245L205-L216 HydrophobicContact CD1-CD2 4.14Å; L205-L216 HydrophobicContact CD2-CD2 3.94Å; L205-L216 HydrophobicContact CD2-CG 4.1Å; V212-L216 HydrophobicContact CG1-CD1 3.73Å; V212-L216 HydrophobicContact CG1-CG 4.32Å; V212-L216 WeakPolarHBondContact O-CB 3.31Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 3.03Å; A213-L216 CarbonylContact O-C 3.56Å; A213-L216 PolarHBondContact O-N 3.18Å; E214-L216 PolarHBondContact O-N 3.2Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.82Å; L216-L218 HydrophobicContact CB-CG 3.75Å; L216-L218 HydrophobicContact CD1-CD1 4.02Å; L216-L218 PolarHBondContact O-N 3.05Å; L216-A237 HydrophobicContact CD1-CB 4.11Å; L216-K240 HydrophobicContact CB-CG 4.27Å; L216-K240 HydrophobicContact CD2-CG 4.19Å; L216-M241 HydrophobicContact CD1-CG 3.77Å; L216-M241 HydrophobicContact CD1-SD 4.25Å; L216-M241 HydrophobicContact CD2-CG 4.38Å; L216-M244 HydrophobicContact CD2-SD 4.15Å; L216-F245 HydrophobicContact CD2-CE2 4.12Å
217E96.8Very high94.9Very high184 Ų18452.3 Ų52.386%0.8628%0.276SS*.THydrogen-bonded Turntrans55.243.4-176.6-56.5178.516500112.7A213 E214A213-E217 PolarHBondContact O-N 3.4Å; E214-E217 PolarHBondContact O-N 2.86Å
218L95.6Very high95.1Very high37 Ų3751.1 Ų51.119%0.19426%0.264CS..PPolyproline II helixtrans-96.5136.8179-58.7175.1000111.1A213 L216 L233 M236 A237 K240A213-L218 HydrophobicContact CB-CB 4.13Å; A213-L218 PolarHBondContact O-N 3.3Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.82Å; L216-L218 HydrophobicContact CB-CG 3.75Å; L216-L218 HydrophobicContact CD1-CD1 4.02Å; L216-L218 PolarHBondContact O-N 3.05Å; L218-L233 HydrophobicContact CB-CD1 4.09Å; L218-M236 HydrophobicContact CD1-CB 3.99Å; L218-M236 HydrophobicContact CD2-CB 4.32Å; L218-A237 HydrophobicContact CD1-CB 4.02Å; L218-K240 HydrophobicContact CD2-CB 4.33Å; L218-K240 HydrophobicContact CD2-CG 4.29Å
219E94.5Very high95.2Very high119 Ų11949.7 Ų49.756%0.55625%0.249SC*.PPolyproline II helixtrans-91.1121.8177.2-172.6175.6-178.500110.4V6V6-E219 HydrophobicContact CG2-CB 4.18Å
220R94.7Very high95.4Very high45 Ų4549.5 Ų49.517%0.1725%0.248CC..PPolyproline II helixtrans-70.5139.6174175179.1-69.3-83.97.3110.6Q210 S229 D230 L233Q210-R220 VanDerWaalsContact OE1-CZ 3.31Å; R220-S229 PolarHBondContact NH1-OG 3.3Å; R220-D230 IonicContact CZ-OD1 3.12Å; R220-D230 VanDerWaalsContact CZ-OD1 3.24Å; R220-D230 IonicContact NH1-OD1 3.57Å; R220-D230 PolarHBondContact NH1-OD1 3.43Å; R220-D230 IonicContact NH1-OD2 3.24Å; R220-D230 IonicContact NH2-OD1 3.93Å; R220-D230 PolarHBondContact NH2-OD1 3.29Å; R220-L233 HydrophobicContact CB-CD2 4.49Å; R220-L233 VanDerWaalsContact CZ-CD2 3.46Å
221I93.9Very high95.6Very high42 Ų4247.2 Ų47.222%0.21524%0.238CC..  trans-122.4121.1173-55.2176.6000109.2V6 Q10 S229 L232 M236V6-I221 HydrophobicContact CG1-CD1 3.89Å; Q10-I221 HydrophobicContact CB-CD1 4.35Å; I221-S229 PolarHBondContact O-OG 3.44Å; I221-L232 HydrophobicContact CB-CD2 3.82Å; I221-L232 HydrophobicContact CD1-CD2 4.31Å; I221-L232 HydrophobicContact CG2-CD2 4.33Å; I221-M236 HydrophobicContact CD1-CE 4.05Å
222G93.8Very high95.7Very high41 Ų4142.3 Ų42.342%0.42321%0.214SC..SBendtrans96.3176.4-175.200000113.1S229G222-S229 PolarHBondContact O-OG 2.87Å
223P93.3Very high95.8Very high59 Ų5942.3 Ų42.338%0.38322%0.215SC..  trans-65.9140.2-179-18.733.6000111.2Q226 S229P223-Q226 HydrophobicContact CB-CB 4.43Å; P223-Q226 HydrophobicContact CB-CG 4.03Å; P223-Q226 HydrophobicContact CG-CG 4.48Å; P223-S229 WeakPolarHBondContact O-CB 3.49Å; P223-S229 PolarHBondContact O-OG 2.73Å
224Q92.2Very high96Very high80 Ų8042.2 Ų42.237%0.37421%0.214SC..SBendtrans-72.2146.6169.5-175.7-179.8-7.700109.7Q226Q224-Q226 VanDerWaalsContact C-N 3.35Å
225H92.3Very high96.1Very high40 Ų4036.2 Ų36.219%0.18519%0.186CC..SBendtrans62.445.4-173.5-54-79.6000111.4E42 S119 D230 K283E42-H225 WeakPolarHBondContact OE1-CA 3.45Å; S119-H225 WeakPolarHBondContact CB-O 3.36Å; S119-H225 VanDerWaalsContact OG-CB 3.32Å; S119-H225 WeakPolarHBondContact OG-CB 3.29Å; H225-D230 WeakPolarHBondContact CA-OD2 3.16Å; H225-D230 PolarHBondContact N-OD2 3.03Å; H225-K283 PolarHBondContact CE1-O 3.3Å; H225-K283 PolarHBondContact ND1-O 2.93Å
226Q97.2Very high96.2Very high18 Ų1833.2 Ų33.28%0.08417%0.172CC..SBendtrans-139.1128.5162.4-73.3-166.42400107.3E42 S119 I121 P223 Q224 G228 S229 D230E42-Q226 WeakPolarHBondContact OE1-CA 3.28Å; E42-Q226 PolarHBondContact OE1-N 3.3Å; E42-Q226 VanDerWaalsContact OE1-N 3.13Å; S119-Q226 PolarHBondContact O-NE2 3.05Å; I121-Q226 HydrophobicContact CD1-CG 4.11Å; P223-Q226 HydrophobicContact CB-CB 4.43Å; P223-Q226 HydrophobicContact CB-CG 4.03Å; P223-Q226 HydrophobicContact CG-CG 4.48Å; Q224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-G228 PolarHBondContact O-N 3.46Å; Q226-S229 WeakPolarHBondContact O-CB 3.23Å; Q226-S229 PolarHBondContact O-N 3.26Å; Q226-D230 PolarHBondContact N-OD2 3.17Å; Q226-D230 PolarHBondContact O-N 3.45Å; Q226-D230 VanDerWaalsContact O-N 3.08Å
227A97.6Very high96.3Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-54.5-35.2-167.900000113.7D40 E42 Q76 G78 S231D40-A227 WeakPolarHBondContact O-CB 3.32Å; E42-A227 HydrophobicContact CG-CB 4.13Å; E42-A227 PolarHBondContact OE1-N 3.25Å; Q76-A227 HydrophobicContact CB-CB 3.91Å; G78-A227 WeakPolarHBondContact CA-O 3.39Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.35Å; A227-S231 PolarHBondContact O-OG 3.48Å
228G97.9Very high96.4Very high0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-60.2-51.6176.500000112.3T94 Q226 S231 L232T94-G228 VanDerWaalsContact CG2-O 3.3Å; T94-G228 WeakPolarHBondContact CG2-O 3.47Å; Q226-G228 PolarHBondContact O-N 3.46Å; G228-S231 PolarHBondContact O-N 2.96Å; G228-S231 PolarHBondContact O-OG 3.45Å; G228-L232 PolarHBondContact O-N 2.86Å; G228-L232 VanDerWaalsContact O-N 3.16Å
229S97.8Very high96.5Very high0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-63.8-43.2178.9172.30000112.2R220 I221 G222 P223 Q226 L232 L233R220-S229 PolarHBondContact NH1-OG 3.3Å; I221-S229 PolarHBondContact O-OG 3.44Å; G222-S229 PolarHBondContact O-OG 2.87Å; P223-S229 WeakPolarHBondContact O-CB 3.49Å; P223-S229 PolarHBondContact O-OG 2.73Å; Q226-S229 WeakPolarHBondContact O-CB 3.23Å; Q226-S229 PolarHBondContact O-N 3.26Å; S229-L232 PolarHBondContact O-N 2.9Å; S229-L233 PolarHBondContact O-N 3.35Å
230D98Very high96.7Very high11 Ų1120.2 Ų20.26%0.05911%0.109CC..Hα-helixtrans-70.3-38.1179.5-72.7-51.9000112.2D40 L209 R220 H225 Q226 L232 L233 T234D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.17Å; L209-D230 HydrophobicContact CD2-CB 3.91Å; L209-D230 WeakPolarHBondContact CD2-O 3.25Å; R220-D230 IonicContact CZ-OD1 3.12Å; R220-D230 VanDerWaalsContact CZ-OD1 3.24Å; R220-D230 IonicContact NH1-OD1 3.57Å; R220-D230 PolarHBondContact NH1-OD1 3.43Å; R220-D230 IonicContact NH1-OD2 3.24Å; R220-D230 IonicContact NH2-OD1 3.93Å; R220-D230 PolarHBondContact NH2-OD1 3.29Å; H225-D230 WeakPolarHBondContact CA-OD2 3.16Å; H225-D230 PolarHBondContact N-OD2 3.03Å; Q226-D230 PolarHBondContact N-OD2 3.17Å; Q226-D230 PolarHBondContact O-N 3.45Å; Q226-D230 VanDerWaalsContact O-N 3.08Å; D230-L232 VanDerWaalsContact C-N 3.28Å; D230-L232 PolarHBondContact O-N 3.19Å; D230-L233 PolarHBondContact O-N 3.2Å; D230-T234 WeakPolarHBondContact O-CB 3.47Å; D230-T234 PolarHBondContact O-N 3.38Å; D230-T234 PolarHBondContact O-OG1 2.85Å; D230-T234 VanDerWaalsContact O-OG1 3.07Å
231S98.5Very high96.8Very high0 Ų018.1 Ų18.10%010%0.101CC..Hα-helixtrans-60.4-37.8172.275.40000112.5A38 T80 A227 G228 G235A38-S231 WeakPolarHBondContact CB-O 3.47Å; T80-S231 PolarHBondContact OG1-OG 3.17Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.35Å; A227-S231 PolarHBondContact O-OG 3.48Å; G228-S231 PolarHBondContact O-N 2.96Å; G228-S231 PolarHBondContact O-OG 3.45Å; S231-G235 PolarHBondContact O-N 3.08Å
232L97.9Very high96.9Very high1 Ų117.2 Ų17.21%0.00510%0.095CC..Hα-helixtrans-67.5-44.9179-179.661.4000110.8T80 Y88 I221 G228 S229 D230 G235 M236T80-L232 HydrophobicContact CG2-CB 4.49Å; T80-L232 HydrophobicContact CG2-CD1 3.61Å; T80-L232 WeakPolarHBondContact OG1-CA 3.37Å; T80-L232 PolarHBondContact OG1-N 3.28Å; Y88-L232 HydrophobicContact CD1-CD1 4.43Å; Y88-L232 HydrophobicContact CE1-CD1 3.61Å; I221-L232 HydrophobicContact CB-CD2 3.82Å; I221-L232 HydrophobicContact CD1-CD2 4.31Å; I221-L232 HydrophobicContact CG2-CD2 4.33Å; G228-L232 PolarHBondContact O-N 2.86Å; G228-L232 VanDerWaalsContact O-N 3.16Å; S229-L232 PolarHBondContact O-N 2.9Å; D230-L232 VanDerWaalsContact C-N 3.28Å; D230-L232 PolarHBondContact O-N 3.19Å; L232-G235 PolarHBondContact O-N 2.99Å; L232-M236 HydrophobicContact CD1-CE 3.94Å; L232-M236 HydrophobicContact CD2-CE 4.14Å; L232-M236 HydrophobicContact CG-CE 3.74Å; L232-M236 WeakPolarHBondContact O-CG 3.44Å; L232-M236 PolarHBondContact O-N 3.14Å
233L97.6Very high97Very high1 Ų118.9 Ų18.91%0.0059%0.092CC..Hα-helixtrans-66.6-37.7177.6-166.559000112.2L209 A213 L218 R220 S229 D230 G235 M236 A237L209-L233 HydrophobicContact CD1-CG 4.4Å; L209-L233 HydrophobicContact CD2-CB 4.29Å; L209-L233 HydrophobicContact CD2-CD2 4.43Å; L209-L233 HydrophobicContact CG-CB 4.49Å; L209-L233 HydrophobicContact CG-CD2 4.05Å; L209-L233 HydrophobicContact CG-CG 4.25Å; A213-L233 HydrophobicContact CB-CD1 3.64Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.88Å; L218-L233 HydrophobicContact CB-CD1 4.09Å; R220-L233 HydrophobicContact CB-CD2 4.49Å; R220-L233 VanDerWaalsContact CZ-CD2 3.46Å; S229-L233 PolarHBondContact O-N 3.35Å; D230-L233 PolarHBondContact O-N 3.2Å; L233-G235 VanDerWaalsContact C-N 3.34Å; L233-G235 PolarHBondContact O-N 3.07Å; L233-M236 HydrophobicContact CD1-SD 4.39Å; L233-M236 PolarHBondContact O-N 3.37Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 2.95Å
234T98.6Very high97.1Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-58.3-45.2171.9-71.60000111.4A38 F156 V195 L209 D230 A237 F238A38-T234 HydrophobicContact CB-CG2 4.35Å; F156-T234 HydrophobicContact CB-CG2 4.34Å; V195-T234 HydrophobicContact CG2-CG2 4.16Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.48Å; D230-T234 WeakPolarHBondContact O-CB 3.47Å; D230-T234 PolarHBondContact O-N 3.38Å; D230-T234 PolarHBondContact O-OG1 2.85Å; D230-T234 VanDerWaalsContact O-OG1 3.07Å; T234-A237 PolarHBondContact O-N 3.33Å; T234-F238 WeakPolarHBondContact O-CB 3.35Å; T234-F238 PolarHBondContact O-N 3.05Å
235G98.3Very high97.3Very high0 Ų020.9 Ų20.90%010%0.096CC..Hα-helixtrans-59.8-48.9174.700000112.9S231 L232 L233 A237 F238 F239S231-G235 PolarHBondContact O-N 3.08Å; L232-G235 PolarHBondContact O-N 2.99Å; L233-G235 VanDerWaalsContact C-N 3.34Å; L233-G235 PolarHBondContact O-N 3.07Å; G235-A237 VanDerWaalsContact C-N 3.35Å; G235-A237 PolarHBondContact O-N 3.12Å; G235-F238 PolarHBondContact O-N 3.12Å; G235-F239 WeakPolarHBondContact O-CD2 3.32Å; G235-F239 PolarHBondContact O-N 3.31Å; G235-F239 VanDerWaalsContact O-N 3.16Å
236M98Very high97.4Very high14 Ų1420 Ų207%0.0699%0.092CC..Hα-helixtrans-58.7-46.2176.8-67.4174.3-175.800111.7Y88 L218 I221 L232 L233 F239 K240Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.41Å; L218-M236 HydrophobicContact CD1-CB 3.99Å; L218-M236 HydrophobicContact CD2-CB 4.32Å; I221-M236 HydrophobicContact CD1-CE 4.05Å; L232-M236 HydrophobicContact CD1-CE 3.94Å; L232-M236 HydrophobicContact CD2-CE 4.14Å; L232-M236 HydrophobicContact CG-CE 3.74Å; L232-M236 WeakPolarHBondContact O-CG 3.44Å; L232-M236 PolarHBondContact O-N 3.14Å; L233-M236 HydrophobicContact CD1-SD 4.39Å; L233-M236 PolarHBondContact O-N 3.37Å; M236-F239 PolarHBondContact O-N 2.81Å; M236-K240 VanDerWaalsContact O-CB 3.29Å; M236-K240 WeakPolarHBondContact O-CB 3.01Å; M236-K240 PolarHBondContact O-N 3.29Å
237A98.2Very high97.2Very high0 Ų027.8 Ų27.80%013%0.128CC..Hα-helixtrans-60.9-45.5178.700000111.6V195 L216 L218 L233 T234 G235 K240 M241V195-A237 HydrophobicContact CG1-CB 4.32Å; L216-A237 HydrophobicContact CD1-CB 4.11Å; L218-A237 HydrophobicContact CD1-CB 4.02Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 2.95Å; T234-A237 PolarHBondContact O-N 3.33Å; G235-A237 VanDerWaalsContact C-N 3.35Å; G235-A237 PolarHBondContact O-N 3.12Å; A237-K240 PolarHBondContact O-N 3.19Å; A237-M241 VanDerWaalsContact O-CB 3.26Å; A237-M241 WeakPolarHBondContact O-CB 3.28Å; A237-M241 WeakPolarHBondContact O-CG 3.41Å; A237-M241 PolarHBondContact O-N 2.98Å
238F98.6Very high96.9Very high2 Ų232.6 Ų32.61%0.00915%0.154CC..Hα-helixtrans-56.7-54.3177.4173.4-96.7000112.1Y36 L154 Y193 V195 L198 T234 G235 K240 M241 R242 I250Y36-F238 HydrophobicContact CD1-CE1 4.02Å; Y36-F238 AromaticContact CE1-CE1 3.78Å; Y36-F238 HydrophobicContact CE1-CE1 3.78Å; Y36-F238 HydrophobicContact CE1-CZ 4.15Å; L154-F238 HydrophobicContact CD1-CB 3.91Å; L154-F238 HydrophobicContact CD1-CD1 3.45Å; L154-F238 VanDerWaalsContact CD1-CD1 3.45Å; L154-F238 HydrophobicContact CD1-CE1 4.09Å; L154-F238 HydrophobicContact CD1-CG 3.69Å; L154-F238 HydrophobicContact CD2-CD1 3.72Å; L154-F238 HydrophobicContact CD2-CD2 3.64Å; L154-F238 HydrophobicContact CD2-CE1 3.72Å; L154-F238 HydrophobicContact CD2-CE2 3.63Å; L154-F238 HydrophobicContact CD2-CG 3.68Å; L154-F238 HydrophobicContact CD2-CZ 3.67Å; L154-F238 HydrophobicContact CG-CD1 4.2Å; L154-F238 HydrophobicContact CG-CG 4.19Å; Y193-F238 AromaticContact CD2-CE2 3.74Å; Y193-F238 HydrophobicContact CD2-CE2 3.74Å; Y193-F238 AromaticContact CD2-CZ 3.85Å; Y193-F238 HydrophobicContact CD2-CZ 3.85Å; Y193-F238 HydrophobicContact CE2-CZ 4.32Å; Y193-F238 AromaticContact CG-CE2 3.99Å; Y193-F238 HydrophobicContact CG-CE2 3.99Å; V195-F238 HydrophobicContact CG2-CB 3.9Å; V195-F238 HydrophobicContact CG2-CD2 4.37Å; L198-F238 HydrophobicContact CD1-CD2 3.88Å; L198-F238 HydrophobicContact CD1-CE2 3.98Å; T234-F238 WeakPolarHBondContact O-CB 3.35Å; T234-F238 PolarHBondContact O-N 3.05Å; G235-F238 PolarHBondContact O-N 3.12Å; F238-K240 PolarHBondContact O-N 3.46Å; F238-M241 PolarHBondContact O-N 3.41Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 2.91Å; F238-I250 HydrophobicContact CE2-CD1 4.49Å; F238-I250 HydrophobicContact CE2-CG1 4Å; F238-I250 HydrophobicContact CZ-CG1 4.04Å
239F98.3Very high96.7Very high16 Ų1639 Ų397%0.0718%0.184CC..Hα-helixtrans-65.7-39.7-176.4-80.6-75.1000112.1Y36 M82 N83 G86 L154 G235 M236 R242 E243Y36-F239 HydrophobicContact CD1-CE1 4.47Å; Y36-F239 HydrophobicContact CD1-CE2 4.3Å; Y36-F239 AromaticContact CD1-CZ 3.68Å; Y36-F239 HydrophobicContact CD1-CZ 3.68Å; Y36-F239 HydrophobicContact CD2-CZ 4.4Å; Y36-F239 HydrophobicContact CE1-CZ 4.2Å; Y36-F239 HydrophobicContact CG-CE2 4.46Å; Y36-F239 AromaticContact CG-CZ 3.79Å; Y36-F239 HydrophobicContact CG-CZ 3.79Å; M82-F239 HydrophobicContact CB-CE2 3.82Å; M82-F239 HydrophobicContact CB-CZ 4.3Å; M82-F239 HydrophobicContact CE-CE2 4.04Å; M82-F239 HydrophobicContact CG-CE2 4.24Å; M82-F239 HydrophobicContact SD-CD2 3.75Å; M82-F239 HydrophobicContact SD-CE2 3.55Å; M82-F239 VanDerWaalsContact SD-CE2 3.55Å; N83-F239 WeakPolarHBondContact O-CZ 3.42Å; G86-F239 VanDerWaalsContact N-CE1 3.32Å; L154-F239 HydrophobicContact CD1-CE2 4.12Å; G235-F239 WeakPolarHBondContact O-CD2 3.32Å; G235-F239 PolarHBondContact O-N 3.31Å; G235-F239 VanDerWaalsContact O-N 3.16Å; M236-F239 PolarHBondContact O-N 2.81Å; F239-R242 PolarHBondContact O-N 3.3Å; F239-E243 PolarHBondContact O-N 2.87Å; F239-E243 VanDerWaalsContact O-N 3.13Å
240K97.4Very high96.7Very high55 Ų5539.4 Ų39.424%0.23919%0.186CC..Hα-helixtrans-62.4-43.7175-17168.2170.1-172.80111.6A3 L216 L218 M236 A237 F238 M244A3-K240 HydrophobicContact CB-CD 4.09Å; L216-K240 HydrophobicContact CB-CG 4.27Å; L216-K240 HydrophobicContact CD2-CG 4.19Å; L218-K240 HydrophobicContact CD2-CB 4.33Å; L218-K240 HydrophobicContact CD2-CG 4.29Å; M236-K240 VanDerWaalsContact O-CB 3.29Å; M236-K240 WeakPolarHBondContact O-CB 3.01Å; M236-K240 PolarHBondContact O-N 3.29Å; A237-K240 PolarHBondContact O-N 3.19Å; F238-K240 PolarHBondContact O-N 3.46Å; K240-M244 HydrophobicContact CD-SD 4.03Å; K240-M244 HydrophobicContact CG-SD 3.86Å; K240-M244 WeakPolarHBondContact O-CB 3.41Å; K240-M244 VanDerWaalsContact O-CG 3.28Å; K240-M244 WeakPolarHBondContact O-CG 3.01Å; K240-M244 PolarHBondContact O-N 2.99Å
241M97.5Very high96.6Very high0 Ų042.6 Ų42.60%020%0.203CC..Hα-helixtrans-65.8-43.6177.3-76.1172.254.600111.9V195 L198 M199 L205 L216 A237 F238 E243 M244 F245 F246V195-M241 HydrophobicContact CG1-CE 4.2Å; V195-M241 HydrophobicContact CG1-SD 3.64Å; L198-M241 HydrophobicContact CB-CE 3.75Å; M199-M241 HydrophobicContact CG-CE 3.72Å; M199-M241 HydrophobicContact CG-SD 4.13Å; L205-M241 HydrophobicContact CD1-CE 4.13Å; L205-M241 HydrophobicContact CD1-CG 3.75Å; L205-M241 HydrophobicContact CD1-SD 3.8Å; L216-M241 HydrophobicContact CD1-CG 3.77Å; L216-M241 HydrophobicContact CD1-SD 4.25Å; L216-M241 HydrophobicContact CD2-CG 4.38Å; A237-M241 VanDerWaalsContact O-CB 3.26Å; A237-M241 WeakPolarHBondContact O-CB 3.28Å; A237-M241 WeakPolarHBondContact O-CG 3.41Å; A237-M241 PolarHBondContact O-N 2.98Å; F238-M241 PolarHBondContact O-N 3.41Å; M241-E243 VanDerWaalsContact C-N 3.3Å; M241-E243 PolarHBondContact O-N 3.29Å; M241-M244 PolarHBondContact O-N 2.9Å; M241-F245 HydrophobicContact CB-CD2 4.23Å; M241-F245 HydrophobicContact CG-CD2 4.25Å; M241-F245 HydrophobicContact CG-CE2 4.41Å; M241-F245 PolarHBondContact O-N 3.32Å; M241-F246 HydrophobicContact CB-CE2 4.43Å; M241-F246 HydrophobicContact CE-CE2 4.31Å; M241-F246 WeakPolarHBondContact O-CD2 3.39Å
242R97.1Very high96.4Very high23 Ų2346 Ų469%0.08722%0.221CC..Hα-helixtrans-56.4-44.7179-170.9-175.370171.42.3111.5E84 F238 F239 F246 E247 D248 I250E84-R242 PolarHBondContact O-NH1 3.42Å; E84-R242 PolarHBondContact O-NH2 2.91Å; E84-R242 IonicContact OE1-CZ 3.83Å; E84-R242 IonicContact OE1-NH1 2.69Å; E84-R242 PolarHBondContact OE1-NH1 3.33Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 2.91Å; F239-R242 PolarHBondContact O-N 3.3Å; R242-F246 CarbonylContact O-C 3.48Å; R242-F246 PolarHBondContact O-N 3.44Å; R242-E247 PolarHBondContact O-N 3.23Å; R242-D248 PolarHBondContact O-N 3.42Å; R242-I250 HydrophobicContact CB-CD1 4.33Å; R242-I250 HydrophobicContact CG-CD1 4Å; R242-I250 HydrophobicContact CG-CG1 4.18Å
243E95.4Very high96.2Very high76 Ų7650.4 Ų50.436%0.35526%0.258SS..Hα-helixtrans-64.7-48.9175.3-176.8-176.3-171.700111.5F239 M241F239-E243 PolarHBondContact O-N 2.87Å; F239-E243 VanDerWaalsContact O-N 3.13Å; M241-E243 VanDerWaalsContact C-N 3.3Å; M241-E243 PolarHBondContact O-N 3.29Å
244M95.1Very high96.1Very high103 Ų10355 Ų5551%0.50728%0.277SS..Hα-helixtrans-77.9-34.2-170.1-71.1178.466.200115L216 K240 M241L216-M244 HydrophobicContact CD2-SD 4.15Å; K240-M244 HydrophobicContact CD-SD 4.03Å; K240-M244 HydrophobicContact CG-SD 3.86Å; K240-M244 WeakPolarHBondContact O-CB 3.41Å; K240-M244 VanDerWaalsContact O-CG 3.28Å; K240-M244 WeakPolarHBondContact O-CG 3.01Å; K240-M244 PolarHBondContact O-N 2.99Å; M241-M244 PolarHBondContact O-N 2.9Å
245F95.5Very high96Very high79 Ų7955.7 Ų55.735%0.34628%0.28SS..Hα-helixtrans-123.4-11.1-166.6-56.1-73000114.3C202 L205 L216 M241C202-F245 HydrophobicContact CB-CG 4.46Å; L205-F245 HydrophobicContact CD1-CD2 4.32Å; L205-F245 HydrophobicContact CD1-CE2 3.76Å; L205-F245 HydrophobicContact CD1-CZ 4.31Å; L205-F245 HydrophobicContact CG-CE2 4.36Å; L205-F245 HydrophobicContact CG-CZ 4.43Å; L216-F245 HydrophobicContact CD2-CE2 4.12Å; M241-F245 HydrophobicContact CB-CD2 4.23Å; M241-F245 HydrophobicContact CG-CD2 4.25Å; M241-F245 HydrophobicContact CG-CE2 4.41Å; M241-F245 PolarHBondContact O-N 3.32Å
246F94.8Very high95.9Very high22 Ų2257.3 Ų57.310%0.09629%0.291CS..SBendtrans-130.118.2-171.2-59.4-87.5000114L198 M241 R242 D248 H249 I250 Y255L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.06Å; L198-F246 HydrophobicContact CD2-CE1 4.21Å; L198-F246 HydrophobicContact CD2-CZ 4.04Å; M241-F246 HydrophobicContact CB-CE2 4.43Å; M241-F246 HydrophobicContact CE-CE2 4.31Å; M241-F246 WeakPolarHBondContact O-CD2 3.39Å; R242-F246 CarbonylContact O-C 3.48Å; R242-F246 PolarHBondContact O-N 3.44Å; F246-D248 PolarHBondContact O-N 2.83Å; F246-D248 VanDerWaalsContact O-N 3.12Å; F246-H249 CarbonylContact O-C 3.54Å; F246-H249 PolarHBondContact O-N 2.55Å; F246-I250 HydrophobicContact CB-CD1 3.62Å; F246-I250 HydrophobicContact CD1-CD1 3.87Å; F246-I250 HydrophobicContact CD2-CD1 3.77Å; F246-I250 HydrophobicContact CE1-CD1 4.47Å; F246-I250 HydrophobicContact CE2-CD1 4.4Å; F246-I250 HydrophobicContact CG-CD1 3.48Å; F246-I250 VanDerWaalsContact CG-CD1 3.48Å; F246-Y255 HydrophobicContact CD1-CE2 4.32Å; F246-Y255 HydrophobicContact CE1-CE1 4.48Å; F246-Y255 AromaticContact CE1-CE2 3.9Å; F246-Y255 HydrophobicContact CE1-CE2 3.9Å; F246-Y255 AromaticContact CE1-CZ 3.79Å
247E93.4Very high95.8Very high181 Ų18157.4 Ų57.485%0.84630%0.296SS*.THydrogen-bonded Turntrans52.439.5174.3-56.6179.7-174.100112.9R242 H249R242-E247 PolarHBondContact O-N 3.23Å; E247-H249 PolarHBondContact O-N 3.29Å; E247-H249 VanDerWaalsContact O-N 3.11Å
248D92Very high95.7Very high101 Ų10160.5 Ų60.554%0.5431%0.31SS..THydrogen-bonded Turntrans62.88.2-176.8-64.2-52.3000115.7R242 F246R242-D248 PolarHBondContact O-N 3.42Å; F246-D248 PolarHBondContact O-N 2.83Å; F246-D248 VanDerWaalsContact O-N 3.12Å
249H93.1Very high95.6Very high134 Ų13460.4 Ų60.462%0.6231%0.31SS*.  trans-140.7118.1-177.1-178.3-73.9000113.1F246 E247F246-H249 CarbonylContact O-C 3.54Å; F246-H249 PolarHBondContact O-N 2.55Å; E247-H249 PolarHBondContact O-N 3.29Å; E247-H249 VanDerWaalsContact O-N 3.11Å
250I96.6Very high95.3Very high9 Ų961.9 Ų61.95%0.04632%0.315CS..  trans-83.3129.9173.9-53.5-58.7000110.1Y193 L198 F238 R242 F246 D252 Y255Y193-I250 HydrophobicContact CD1-CB 4.43Å; Y193-I250 HydrophobicContact CD1-CG2 3.68Å; Y193-I250 HydrophobicContact CE1-CB 3.99Å; Y193-I250 HydrophobicContact CE1-CG2 3.48Å; Y193-I250 VanDerWaalsContact CE1-CG2 3.48Å; Y193-I250 HydrophobicContact CG-CG2 4.47Å; L198-I250 HydrophobicContact CD1-CD1 4.46Å; L198-I250 HydrophobicContact CD2-CD1 4.32Å; L198-I250 HydrophobicContact CD2-CG2 3.97Å; F238-I250 HydrophobicContact CE2-CD1 4.49Å; F238-I250 HydrophobicContact CE2-CG1 4Å; F238-I250 HydrophobicContact CZ-CG1 4.04Å; R242-I250 HydrophobicContact CB-CD1 4.33Å; R242-I250 HydrophobicContact CG-CD1 4Å; R242-I250 HydrophobicContact CG-CG1 4.18Å; F246-I250 HydrophobicContact CB-CD1 3.62Å; F246-I250 HydrophobicContact CD1-CD1 3.87Å; F246-I250 HydrophobicContact CD2-CD1 3.77Å; F246-I250 HydrophobicContact CE1-CD1 4.47Å; F246-I250 HydrophobicContact CE2-CD1 4.4Å; F246-I250 HydrophobicContact CG-CD1 3.48Å; F246-I250 VanDerWaalsContact CG-CD1 3.48Å; I250-D252 PolarHBondContact O-N 3.33Å; I250-Y255 HydrophobicContact CG2-CD2 3.73Å; I250-Y255 HydrophobicContact CG2-CG 4.06Å
251D95.9Very high94.9Very high78 Ų7860.7 Ų60.742%0.41732%0.318SS..  trans-73.5104.3175.5178.79.4000111.6A253 K254 Y255D251-A253 VanDerWaalsContact C-N 3.27Å; D251-A253 PolarHBondContact O-N 3.34Å; D251-A253 WeakPolarHBondContact OD1-CB 3.5Å; D251-A253 PolarHBondContact OD1-N 2.81Å; D251-A253 VanDerWaalsContact OD1-N 3.09Å; D251-K254 HydrophobicContact CB-CB 4.28Å; D251-K254 PolarHBondContact O-N 2.73Å; D251-K254 VanDerWaalsContact O-N 3.09Å; D251-Y255 HydrophobicContact CB-CD2 4.14Å; D251-Y255 HydrophobicContact CB-CE2 4.28Å; D251-Y255 VanDerWaalsContact O-CD2 3.29Å; D251-Y255 WeakPolarHBondContact O-CD2 3.31Å; D251-Y255 PolarHBondContact O-N 3.27Å
252D95.2Very high94.5Very high72 Ų7261.1 Ų61.139%0.38532%0.32SS..Hα-helixtrans-57-38.1-180-76.6-4.2000113Y193 I250 K254 Y255 C256Y193-D252 WeakPolarHBondContact CE1-OD1 3.27Å; Y193-D252 PolarHBondContact OH-OD1 2.91Å; I250-D252 PolarHBondContact O-N 3.33Å; D252-K254 PolarHBondContact O-N 2.97Å; D252-K254 VanDerWaalsContact O-N 3.12Å; D252-Y255 PolarHBondContact O-N 3.38Å; D252-C256 HydrophobicContact CB-CB 3.94Å; D252-C256 WeakPolarHBondContact O-CB 3.48Å; D252-C256 PolarHBondContact O-N 3.36Å
253A93.6Very high93.7Very high93 Ų9361.2 Ų61.277%0.76933%0.329SS*.Hα-helixtrans-64.4-21.6-178.200000112.6D251D251-A253 VanDerWaalsContact C-N 3.27Å; D251-A253 PolarHBondContact O-N 3.34Å; D251-A253 WeakPolarHBondContact OD1-CB 3.5Å; D251-A253 PolarHBondContact OD1-N 2.81Å; D251-A253 VanDerWaalsContact OD1-N 3.09Å
254K95.1Very high92Very high97 Ų9762.3 Ų62.342%0.42235%0.345SS..Hα-helixtrans-105.7-31.9-177.2-174.1174.9175.3-164.30113.5D251 D252 H258D251-K254 HydrophobicContact CB-CB 4.28Å; D251-K254 PolarHBondContact O-N 2.73Å; D251-K254 VanDerWaalsContact O-N 3.09Å; D252-K254 PolarHBondContact O-N 2.97Å; D252-K254 VanDerWaalsContact O-N 3.12Å; K254-H258 PolarHBondContact O-CD2 3.49Å; K254-H258 VanDerWaalsContact O-CD2 3.3Å
255Y96.6Very high89.7Confident14 Ų1460.6 Ų60.66%0.05535%0.353CS..Hα-helixtrans-121.7-25.2-168-58.3-69.5000114.4Y197 L198 S201 F246 I250 D251 D252 G257 H258Y197-Y255 AromaticContact CD1-CD1 3.91Å; Y197-Y255 HydrophobicContact CD1-CD1 3.91Å; Y197-Y255 AromaticContact CE1-CD1 3.8Å; Y197-Y255 HydrophobicContact CE1-CD1 3.8Å; Y197-Y255 HydrophobicContact CE1-CE1 4.41Å; L198-Y255 HydrophobicContact CD2-CD1 3.54Å; L198-Y255 HydrophobicContact CD2-CD2 4.09Å; L198-Y255 HydrophobicContact CD2-CE1 4.07Å; L198-Y255 HydrophobicContact CD2-CG 3.54Å; S201-Y255 VanDerWaalsContact CB-OH 3.28Å; S201-Y255 WeakPolarHBondContact CB-OH 2.92Å; S201-Y255 PolarHBondContact OG-OH 3.48Å; F246-Y255 HydrophobicContact CD1-CE2 4.32Å; F246-Y255 HydrophobicContact CE1-CE1 4.48Å; F246-Y255 AromaticContact CE1-CE2 3.9Å; F246-Y255 HydrophobicContact CE1-CE2 3.9Å; F246-Y255 AromaticContact CE1-CZ 3.79Å; I250-Y255 HydrophobicContact CG2-CD2 3.73Å; I250-Y255 HydrophobicContact CG2-CG 4.06Å; D251-Y255 HydrophobicContact CB-CD2 4.14Å; D251-Y255 HydrophobicContact CB-CE2 4.28Å; D251-Y255 VanDerWaalsContact O-CD2 3.29Å; D251-Y255 WeakPolarHBondContact O-CD2 3.31Å; D251-Y255 PolarHBondContact O-N 3.27Å; D252-Y255 PolarHBondContact O-N 3.38Å; Y255-G257 PolarHBondContact O-N 3.1Å; Y255-H258 PolarHBondContact O-N 2.89Å
256C97.1Very high87Confident34 Ų3460.2 Ų60.223%0.2336%0.361CS..THydrogen-bonded Turntrans-67.9127.9-175.9-179.60000111I192 Y193 D252 H258I192-C256 WeakPolarHBondContact O-CA 3.28Å; Y193-C256 HydrophobicContact CE1-CB 4.12Å; D252-C256 HydrophobicContact CB-CB 3.94Å; D252-C256 WeakPolarHBondContact O-CB 3.48Å; D252-C256 PolarHBondContact O-N 3.36Å; C256-H258 PolarHBondContact O-N 3.28Å
257G96.1Very high84.1Confident17 Ų1764.9 Ų64.918%0.17540%0.396CS..THydrogen-bonded Turntrans76.16.7176.800000114.8I192 Y255I192-G257 PolarHBondContact O-N 3.35Å; Y255-G257 PolarHBondContact O-N 3.1Å
258H95.7Very high81.3Confident64 Ų6466.4 Ų66.430%0.29640%0.395SS..PPolyproline II helixtrans-90.9118.3173.7-77.5-71.9000110.9D194 Y197 K254 Y255 C256D194-H258 WeakPolarHBondContact CB-O 3.29Å; Y197-H258 HydrophobicContact CD1-CB 3.82Å; Y197-H258 HydrophobicContact CD2-CB 4.3Å; Y197-H258 HydrophobicContact CE1-CB 3.64Å; Y197-H258 HydrophobicContact CE2-CB 4.12Å; Y197-H258 HydrophobicContact CG-CB 4.17Å; Y197-H258 AromaticContact CZ-CG 3.99Å; K254-H258 PolarHBondContact O-CD2 3.49Å; K254-H258 VanDerWaalsContact O-CD2 3.3Å; Y255-H258 PolarHBondContact O-N 2.89Å; C256-H258 PolarHBondContact O-N 3.28Å
259L95.6Very high78.5Confident0 Ų067.3 Ų67.30%040%0.404CS..PPolyproline II helixtrans-94.8141.8174.7-49.8-174.6000109.8F162 F181 F182 L185 I192 G261 L262F162-L259 HydrophobicContact CB-CD1 4.47Å; F162-L259 HydrophobicContact CD2-CD1 4.28Å; F162-L259 HydrophobicContact CD2-CD2 3.86Å; F162-L259 HydrophobicContact CE2-CD2 4.06Å; F181-L259 HydrophobicContact CE1-CD1 4.33Å; F182-L259 HydrophobicContact CE1-CD1 4.24Å; F182-L259 HydrophobicContact CE1-CG 4.11Å; F182-L259 HydrophobicContact CZ-CD1 4.37Å; F182-L259 HydrophobicContact CZ-CG 4.39Å; L185-L259 HydrophobicContact CD2-CD1 3.85Å; L185-L259 HydrophobicContact CD2-CG 4.35Å; I192-L259 HydrophobicContact CD1-CD2 4.38Å; I192-L259 HydrophobicContact CG2-CD2 3.86Å; L259-G261 PolarHBondContact O-N 2.8Å; L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.25Å; L259-L262 PolarHBondContact O-N 2.92Å; L259-L262 VanDerWaalsContact O-O 3.1Å
260Y93.3Very high75.9Confident48 Ų4866.9 Ų66.919%0.18840%0.403CS..THydrogen-bonded Turntrans-65.4128.1176.9-178.5-83.1000110.7H157 D194 K196 K200 L262H157-Y260 AromaticContact CD2-CD1 3.32Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.16Å; H157-Y260 AromaticContact NE2-CD1 3.35Å; H157-Y260 VanDerWaalsContact NE2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.49Å; H157-Y260 AromaticContact NE2-CE1 3.69Å; D194-Y260 PolarHBondContact OD2-N 2.82Å; K196-Y260 HydrophobicContact CB-CD2 4.2Å; K196-Y260 HydrophobicContact CB-CG 4.21Å; K196-Y260 HydrophobicContact CD-CD1 3.81Å; K196-Y260 HydrophobicContact CD-CD2 4.08Å; K196-Y260 HydrophobicContact CD-CE1 3.93Å; K196-Y260 HydrophobicContact CD-CE2 4.23Å; K196-Y260 HydrophobicContact CD-CG 3.86Å; K196-Y260 VanDerWaalsContact CE-CZ 3.47Å; K196-Y260 HydrophobicContact CG-CD1 4.36Å; K196-Y260 HydrophobicContact CG-CD2 3.72Å; K196-Y260 HydrophobicContact CG-CE2 3.98Å; K196-Y260 HydrophobicContact CG-CG 3.92Å; K200-Y260 VanDerWaalsContact CE-CD2 3.46Å; Y260-L262 VanDerWaalsContact C-N 3.31Å; Y260-L262 PolarHBondContact O-N 2.79Å
261G89Confident72.8Confident29 Ų2973.6 Ų73.630%0.29944%0.439SS..THydrogen-bonded Turntrans84.5-517600000115.6L259L259-G261 PolarHBondContact O-N 2.8Å
262L88.5Confident70.1Confident9 Ų973.6 Ų73.65%0.04746%0.457CS..  trans-123.5163.7174.9-58.1173.6000111.1Q61 L65 F182 L259 Y260Q61-L262 HydrophobicContact CB-CD2 4.04Å; L65-L262 HydrophobicContact CD1-CD1 3.67Å; F182-L262 HydrophobicContact CE2-CB 4.15Å; F182-L262 HydrophobicContact CZ-CB 3.86Å; L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.25Å; L259-L262 PolarHBondContact O-N 2.92Å; L259-L262 VanDerWaalsContact O-O 3.1Å; Y260-L262 VanDerWaalsContact C-N 3.31Å; Y260-L262 PolarHBondContact O-N 2.79Å
263G79.1Confident67.6Low26 Ų2671.1 Ų71.127%0.26844%0.444SS..SBendtrans84.2130.2178.100000113.3E178 G265E178-G263 WeakPolarHBondContact OE1-CA 3.01Å; E178-G263 PolarHBondContact OE1-N 2.82Å; G263-G265 PolarHBondContact O-N 2.91Å
264S60.5Low65.3Low98 Ų9867.5 Ų67.569%0.68542%0.416SS*.THydrogen-bonded Turntrans-74.6113.4178.9-68.70000111.7
265G47.3Very low63.3Low67 Ų6767 Ų6769%0.69142%0.418SS*.THydrogen-bonded Turntrans172.4-13.7172.300000117.5G263G263-G265 PolarHBondContact O-N 2.91Å
266S39.2Very low61.4Low72 Ų7268.1 Ų68.150%0.50343%0.43SS..  trans-103.195.4170.3-79.10000110.5Y268S266-Y268 PolarHBondContact O-N 2.75Å
267S33.4Very low59.8Low119 Ų11967.1 Ų67.183%0.83242%0.422SS*.  trans-61.478.9157.248.70000109.6
268Y35.4Very low58.3Low213 Ų21367.5 Ų67.584%0.83542%0.419SS*.  trans-125.7108.2156.1-96.9-87.4000107S266 Q270S266-Y268 PolarHBondContact O-N 2.75Å; Y268-Q270 VanDerWaalsContact C-N 3.28Å; Y268-Q270 PolarHBondContact O-N 3.48Å
269V31.7Very low56.8Low120 Ų12069.6 Ų69.673%0.72743%0.429SS*.  trans-62.494.3169.9178.80000107N271V269-N271 WeakPolarHBondContact CG1-OD1 3.46Å; V269-N271 PolarHBondContact O-N 3.46Å
270Q38.1Very low55.5Low126 Ų12672.2 Ų72.259%0.58944%0.441SS*.  trans-84.691.8159-126.4-178200105.6Y268 G272 T273Y268-Q270 VanDerWaalsContact C-N 3.28Å; Y268-Q270 PolarHBondContact O-N 3.48Å; Q270-G272 PolarHBondContact O-N 2.67Å; Q270-T273 HydrophobicContact CB-CG2 3.66Å; Q270-T273 HydrophobicContact CG-CG2 3.53Å
271N31.9Very low54.1Low150 Ų15070 Ų7080%0.80243%0.433SS*.THydrogen-bonded Turntrans-59.7106.9170.6-85-22.5000108V269V269-N271 WeakPolarHBondContact CG1-OD1 3.46Å; V269-N271 PolarHBondContact O-N 3.46Å
272G39.4Very low53.1Low77 Ų7771 Ų7179%0.79443%0.431SS*.THydrogen-bonded Turntrans101.739.4163.400000118.6Q270Q270-G272 PolarHBondContact O-N 2.67Å
273T43.6Very low51.9Low20 Ų2076.6 Ų76.612%0.12346%0.455CS..  trans-11718.5-165.954.90000118.7Q270 N275 A276Q270-T273 HydrophobicContact CB-CG2 3.66Å; Q270-T273 HydrophobicContact CG-CG2 3.53Å; T273-N275 PolarHBondContact O-N 2.73Å; T273-A276 HydrophobicContact CG2-CB 4.35Å; T273-A276 PolarHBondContact O-N 3.11Å; T273-A276 VanDerWaalsContact O-N 3.14Å
274G44.4Very low50.8Low17 Ų1777.3 Ų77.318%0.17545%0.451CS..Hα-helixtrans-54.5-38.3168.400000112.7
275N52.7Low50.4Low87 Ų8772.6 Ų72.647%0.46542%0.419SS..Hα-helixtrans-74.8-25.1178.6-73.9-8.1000114.3R49 T273 E279R49-N275 PolarHBondContact NH1-OD1 3.46Å; T273-N275 PolarHBondContact O-N 2.73Å; N275-E279 VanDerWaalsContact O-CB 3.28Å; N275-E279 WeakPolarHBondContact O-CB 3.39Å; N275-E279 VanDerWaalsContact O-CG 3.29Å; N275-E279 WeakPolarHBondContact O-CG 3.29Å; N275-E279 PolarHBondContact O-N 2.81Å
276A57.8Low50.6Low37 Ų3772.9 Ų72.931%0.30641%0.405SS..Hα-helixtrans-75.9-38.3-173.700000112.3T273 E280T273-A276 HydrophobicContact CG2-CB 4.35Å; T273-A276 PolarHBondContact O-N 3.11Å; T273-A276 VanDerWaalsContact O-N 3.14Å; A276-E280 WeakPolarHBondContact O-CB 3.48Å; A276-E280 WeakPolarHBondContact O-CG 3.38Å; A276-E280 PolarHBondContact O-N 2.96Å
277Y63.5Low51.2Low13 Ų1372.9 Ų72.95%0.05140%0.4CS..Hα-helixtrans-68-40177.2-163.4-99.9000111.1Q61 H157 Y160 E280 A281Q61-Y277 VanDerWaalsContact OE1-CB 3.23Å; H157-Y277 AromaticContact CD2-CE2 3.8Å; H157-Y277 AromaticContact NE2-CD2 3.41Å; H157-Y277 WeakPolarHBondContact NE2-CD2 3.36Å; H157-Y277 AromaticContact NE2-CE2 3.01Å; H157-Y277 WeakPolarHBondContact NE2-CE2 3.49Å; H157-Y277 AromaticContact NE2-CZ 3.74Å; Y160-Y277 HydrophobicContact CD2-CE1 4.29Å; Y160-Y277 HydrophobicContact CE2-CD1 4.38Å; Y160-Y277 AromaticContact CE2-CE1 3.85Å; Y160-Y277 HydrophobicContact CE2-CE1 3.85Å; Y277-E280 PolarHBondContact O-N 3.46Å; Y277-A281 VanDerWaalsContact O-CB 3.31Å; Y277-A281 WeakPolarHBondContact O-CB 3.49Å; Y277-A281 PolarHBondContact O-N 3.25Å
278E64.3Low52.1Low25 Ų2570.4 Ų70.412%0.11738%0.376CS..Hα-helixtrans-66.6-45.2174-178.9178.5159.700112.8V46 R49 L64 E280 A281 N282V46-E278 HydrophobicContact CB-CG 4.16Å; V46-E278 HydrophobicContact CG1-CG 4.04Å; V46-E278 HydrophobicContact CG2-CG 4.41Å; R49-E278 VanDerWaalsContact CZ-CD 3.45Å; R49-E278 IonicContact CZ-OE1 3.31Å; R49-E278 VanDerWaalsContact CZ-OE1 3.31Å; R49-E278 IonicContact CZ-OE2 2.76Å; R49-E278 IonicContact NE-OE1 3.48Å; R49-E278 PolarHBondContact NE-OE1 3.47Å; R49-E278 IonicContact NE-OE2 3.3Å; R49-E278 PolarHBondContact NE-OE2 2.87Å; R49-E278 IonicContact NH1-OE2 3.03Å; R49-E278 PolarHBondContact NH1-OE2 3.28Å; R49-E278 IonicContact NH2-OE1 2.75Å; R49-E278 PolarHBondContact NH2-OE1 3.48Å; R49-E278 IonicContact NH2-OE2 2.78Å; R49-E278 PolarHBondContact NH2-OE2 3.43Å; L64-E278 HydrophobicContact CD2-CB 4.46Å; E278-E280 VanDerWaalsContact C-N 3.28Å; E278-E280 PolarHBondContact O-N 3.23Å; E278-A281 PolarHBondContact O-N 3.03Å; E278-N282 WeakPolarHBondContact O-CB 3.39Å; E278-N282 PolarHBondContact O-N 3.3Å
279E65.1Low53.1Low109 Ų10962 Ų6251%0.50935%0.349SS..Hα-helixtrans-62.2-36.4175.3-82.9-179.8-159.400112.1N275 K283N275-E279 VanDerWaalsContact O-CB 3.28Å; N275-E279 WeakPolarHBondContact O-CB 3.39Å; N275-E279 VanDerWaalsContact O-CG 3.29Å; N275-E279 WeakPolarHBondContact O-CG 3.29Å; N275-E279 PolarHBondContact O-N 2.81Å; E279-K283 VanDerWaalsContact O-CD 3.28Å; E279-K283 WeakPolarHBondContact O-CD 3.31Å; E279-K283 WeakPolarHBondContact O-CG 3.28Å; E279-K283 PolarHBondContact O-N 3.2Å
280E68.1Low54.5Low55 Ų5558.4 Ų58.426%0.25733%0.325SS..Hα-helixtrans-73.1-39.5174.9-75.9-168.3145.400111.9H157 K196 A276 Y277 E278 K283 Q284H157-E280 IonicContact CE1-OE2 2.69Å; H157-E280 PolarHBondContact CE1-OE2 2.81Å; H157-E280 IonicContact ND1-OE2 2.75Å; H157-E280 IonicContact NE2-OE2 2.76Å; K196-E280 VanDerWaalsContact CE-OE2 3.28Å; K196-E280 WeakPolarHBondContact CE-OE2 3.32Å; K196-E280 VanDerWaalsContact NZ-CD 3.28Å; K196-E280 IonicContact NZ-OE1 2.81Å; K196-E280 PolarHBondContact NZ-OE1 2.87Å; K196-E280 IonicContact NZ-OE2 3.31Å; K196-E280 PolarHBondContact NZ-OE2 3.14Å; A276-E280 WeakPolarHBondContact O-CB 3.48Å; A276-E280 WeakPolarHBondContact O-CG 3.38Å; A276-E280 PolarHBondContact O-N 2.96Å; Y277-E280 PolarHBondContact O-N 3.46Å; E278-E280 VanDerWaalsContact C-N 3.28Å; E278-E280 PolarHBondContact O-N 3.23Å; E280-K283 PolarHBondContact O-N 3.06Å; E280-Q284 WeakPolarHBondContact O-CG 3.45Å; E280-Q284 PolarHBondContact O-N 3.41Å; E280-Q284 VanDerWaalsContact O-N 3.17Å
281A64Low55.6Low1 Ų153.9 Ų53.91%0.00831%0.308CS..Hα-helixtrans-62.9-44.2176.400000111.6V46 Y160 Y277 E278 K283 Q284 S285V46-A281 HydrophobicContact CG2-CB 4.2Å; Y160-A281 HydrophobicContact CD2-CB 3.98Å; Y160-A281 HydrophobicContact CE2-CB 3.76Å; Y277-A281 VanDerWaalsContact O-CB 3.31Å; Y277-A281 WeakPolarHBondContact O-CB 3.49Å; Y277-A281 PolarHBondContact O-N 3.25Å; E278-A281 PolarHBondContact O-N 3.03Å; A281-K283 PolarHBondContact O-N 2.78Å; A281-Q284 WeakPolarHBondContact O-CB 3.37Å; A281-Q284 PolarHBondContact O-N 2.78Å; A281-S285 PolarHBondContact O-N 3.33Å; A281-S285 PolarHBondContact O-OG 2.98Å
282N66.9Low57.3Low49 Ų4947 Ų4726%0.26227%0.272SS..Hα-helixtrans-68.1-20176.4-75.6-20.8000113.5G45 V46 E278 Q284G45-N282 WeakPolarHBondContact CA-OD1 3.29Å; V46-N282 PolarHBondContact N-OD1 3.04Å; E278-N282 WeakPolarHBondContact O-CB 3.39Å; E278-N282 PolarHBondContact O-N 3.3Å; N282-Q284 VanDerWaalsContact C-N 3.35Å
283K63.3Low58.6Low128 Ų12844.7 Ų44.756%0.55723%0.232SC*.THydrogen-bonded Turntrans-84.8-11.9171.9-73.2167.8-169.4168.80112.8H225 E279 E280 A281H225-K283 PolarHBondContact CE1-O 3.3Å; H225-K283 PolarHBondContact ND1-O 2.93Å; E279-K283 VanDerWaalsContact O-CD 3.28Å; E279-K283 WeakPolarHBondContact O-CD 3.31Å; E279-K283 WeakPolarHBondContact O-CG 3.28Å; E279-K283 PolarHBondContact O-N 3.2Å; E280-K283 PolarHBondContact O-N 3.06Å; A281-K283 PolarHBondContact O-N 2.78Å
284Q56.4Low59.9Low40 Ų4046.8 Ų46.819%0.18724%0.241CC..THydrogen-bonded Turntrans-98.2-18.7174.6-71.5177.7-36.100112.2H157 E280 A281 N282H157-Q284 PolarHBondContact ND1-NE2 2.83Å; H157-Q284 PolarHBondContact ND1-OE1 2.77Å; H157-Q284 VanDerWaalsContact ND1-OE1 3.14Å; E280-Q284 WeakPolarHBondContact O-CG 3.45Å; E280-Q284 PolarHBondContact O-N 3.41Å; E280-Q284 VanDerWaalsContact O-N 3.17Å; A281-Q284 WeakPolarHBondContact O-CB 3.37Å; A281-Q284 PolarHBondContact O-N 2.78Å; N282-Q284 VanDerWaalsContact C-N 3.35Å
285S52.1Low61.3Low0 Ų049.5 Ų49.50%025%0.247CC..  trans-74.50166.4-45.20000112.4F43 G45 L115 L116 A281F43-S285 WeakPolarHBondContact CE2-OG 3.22Å; F43-S285 WeakPolarHBondContact O-CB 3.45Å; G45-S285 WeakPolarHBondContact CA-OG 3.16Å; L115-S285 WeakPolarHBondContact CD2-O 3.18Å; L116-S285 WeakPolarHBondContact CD2-OXT 3.44Å; L116-S285 WeakPolarHBondContact CG-OXT 3.49Å; A281-S285 PolarHBondContact O-N 3.33Å; A281-S285 PolarHBondContact O-OG 2.98Å

Retrieved 285 of 285 residues in 531.8 ms (Link to these results)

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