A0A077ZI68_TRITR Loading...

Arf domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M62.3Low75.5Confident195 Ų195109.9 Ų109.996%0.96155%0.553SS**  0110.80-136.8-175.4-69.200106.5
2G86.9Confident74.5Confident41 Ų41108.9 Ų108.942%0.42355%0.545SS..  trans-86.2161.4-168.800000114L4 T5 I6G2-L4 VanDerWaalsContact C-N 3.25Å; G2-L4 PolarHBondContact O-N 3.24Å; G2-T5 WeakPolarHBondContact O-CB 3.41Å; G2-T5 PolarHBondContact O-N 3.35Å; G2-I6 PolarHBondContact O-N 3.25Å
3L86.2Confident73.8Confident125 Ų125111 Ų11165%0.65455%0.549SS*.Hα-helixtrans-52.5-41.2178.4178.762.5000112.5T5 I6 L7L3-T5 VanDerWaalsContact C-N 3.3Å; L3-T5 PolarHBondContact O-N 2.92Å; L3-I6 WeakPolarHBondContact O-CB 3.43Å; L3-I6 PolarHBondContact O-N 3.1Å; L3-I6 VanDerWaalsContact O-N 3.09Å; L3-L7 HydrophobicContact CD1-CD1 4.37Å; L3-L7 HydrophobicContact CD1-CG 4.2Å; L3-L7 HydrophobicContact CG-CD1 4.03Å; L3-L7 HydrophobicContact CG-CG 4.3Å; L3-L7 WeakPolarHBondContact O-CG 3.34Å; L3-L7 PolarHBondContact O-N 3.45Å
4L80.6Confident73.6Confident143 Ų143111.1 Ų111.175%0.74955%0.547SS*.Hα-helixtrans-61.4-36.9178.1-172.667.1000112.6G2 I6 R8G2-L4 VanDerWaalsContact C-N 3.25Å; G2-L4 PolarHBondContact O-N 3.24Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-R8 WeakPolarHBondContact O-CB 3.45Å; L4-R8 PolarHBondContact O-N 3.01Å
5T80Confident74.3Confident51 Ų51110.7 Ų110.731%0.31354%0.541SS..Hα-helixtrans-68.7-35.3176.1-43.40000111.2G2 L3 K9G2-T5 WeakPolarHBondContact O-CB 3.41Å; G2-T5 PolarHBondContact O-N 3.35Å; L3-T5 VanDerWaalsContact C-N 3.3Å; L3-T5 PolarHBondContact O-N 2.92Å; T5-K9 WeakPolarHBondContact O-CB 3.32Å; T5-K9 VanDerWaalsContact O-CG 3.32Å; T5-K9 WeakPolarHBondContact O-CG 3.46Å; T5-K9 PolarHBondContact O-N 3.09Å; T5-K9 VanDerWaalsContact O-N 3.1Å
6I80Confident75.1Confident81 Ų81108.7 Ų108.742%0.41553%0.53SS..Hα-helixtrans-68.3-50.1175.6-62.6171.4000109.8G2 L3 L4 R8 K9 L10G2-I6 PolarHBondContact O-N 3.25Å; L3-I6 WeakPolarHBondContact O-CB 3.43Å; L3-I6 PolarHBondContact O-N 3.1Å; L3-I6 VanDerWaalsContact O-N 3.09Å; L4-I6 VanDerWaalsContact C-N 3.33Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 2.83Å; I6-K9 PolarHBondContact O-N 3.26Å; I6-K9 VanDerWaalsContact O-N 3.17Å; I6-L10 HydrophobicContact CG2-CD1 4.05Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.17Å
7L76Confident75.9Confident92 Ų92102.3 Ų102.348%0.48250%0.499SS..Hα-helixtrans-59.8-41.6178.1-68.9174.9000112.1L3 L10 K11L3-L7 HydrophobicContact CD1-CD1 4.37Å; L3-L7 HydrophobicContact CD1-CG 4.2Å; L3-L7 HydrophobicContact CG-CD1 4.03Å; L3-L7 HydrophobicContact CG-CG 4.3Å; L3-L7 WeakPolarHBondContact O-CG 3.34Å; L3-L7 PolarHBondContact O-N 3.45Å; L7-L10 HydrophobicContact CD2-CD1 4.49Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-K11 PolarHBondContact O-N 2.86Å
8R71Confident76.6Confident150 Ų15098.9 Ų98.957%0.56648%0.48SS*.Hα-helixtrans-62.2-44.9175-168.7179.773.7-168-0.3111.8L4 I6 L10 K11 E12L4-R8 WeakPolarHBondContact O-CB 3.45Å; L4-R8 PolarHBondContact O-N 3.01Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 2.83Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.28Å; R8-K11 PolarHBondContact O-N 3.43Å; R8-E12 HydrophobicContact CG-CG 4.47Å; R8-E12 WeakPolarHBondContact CG-OE1 3.49Å; R8-E12 IonicContact NE-OE1 3.45Å; R8-E12 PolarHBondContact NE-OE1 3.06Å; R8-E12 WeakPolarHBondContact O-CB 3.32Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.4Å
9K70.8Confident77.2Confident106 Ų10693.7 Ų93.746%0.46146%0.455SS..Hα-helixtrans-63.3-34.7175.7-77.3-178.6175.4-1720112.5T5 I6 K13T5-K9 WeakPolarHBondContact O-CB 3.32Å; T5-K9 VanDerWaalsContact O-CG 3.32Å; T5-K9 WeakPolarHBondContact O-CG 3.46Å; T5-K9 PolarHBondContact O-N 3.09Å; T5-K9 VanDerWaalsContact O-N 3.1Å; I6-K9 PolarHBondContact O-N 3.26Å; I6-K9 VanDerWaalsContact O-N 3.17Å; K9-K13 WeakPolarHBondContact O-CB 3.43Å; K9-K13 VanDerWaalsContact O-CG 3.32Å; K9-K13 WeakPolarHBondContact O-CG 3.5Å; K9-K13 PolarHBondContact O-N 2.88Å
10L68.1Low77.8Confident90 Ų9089.3 Ų89.347%0.47143%0.433SS..Hα-helixtrans-66.5-46.1174.3-70.4170.7000110.9I6 L7 R8 E12 K13 E14I6-L10 HydrophobicContact CG2-CD1 4.05Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.17Å; L7-L10 HydrophobicContact CD2-CD1 4.49Å; L7-L10 PolarHBondContact O-N 2.93Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.28Å; L10-E12 PolarHBondContact O-N 3.14Å; L10-K13 WeakPolarHBondContact O-CB 3.37Å; L10-K13 PolarHBondContact O-N 3.01Å; L10-K13 VanDerWaalsContact O-N 3.14Å; L10-E14 PolarHBondContact O-N 3.45Å
11K68.5Low78.4Confident135 Ų13585.2 Ų85.259%0.58741%0.414SS*.Hα-helixtrans-67-32.2176.6-169.1168.7-173.9163.50113.8L7 R8 E14L7-K11 PolarHBondContact O-N 2.86Å; R8-K11 PolarHBondContact O-N 3.43Å; K11-E14 WeakPolarHBondContact O-CB 3.32Å; K11-E14 PolarHBondContact O-N 3.44Å
12E64Low79.5Confident98 Ų9876.2 Ų76.246%0.45837%0.37SS..Hα-helixtrans-66.6-40.1171.3-76.3165.8-178.500110.6R8 L10 E14 K15R8-E12 HydrophobicContact CG-CG 4.47Å; R8-E12 WeakPolarHBondContact CG-OE1 3.49Å; R8-E12 IonicContact NE-OE1 3.45Å; R8-E12 PolarHBondContact NE-OE1 3.06Å; R8-E12 WeakPolarHBondContact O-CB 3.32Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.4Å; L10-E12 PolarHBondContact O-N 3.14Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.06Å; E12-K15 PolarHBondContact O-N 3.45Å
13K65.6Low79.4Confident136 Ų13674.3 Ų74.359%0.59135%0.35SS*.Hα-helixtrans-65.1-30.7173.8-77.7-177.9173-164.70113.6K9 L10 K15 E16K9-K13 WeakPolarHBondContact O-CB 3.43Å; K9-K13 VanDerWaalsContact O-CG 3.32Å; K9-K13 WeakPolarHBondContact O-CG 3.5Å; K9-K13 PolarHBondContact O-N 2.88Å; L10-K13 WeakPolarHBondContact O-CB 3.37Å; L10-K13 PolarHBondContact O-N 3.01Å; L10-K13 VanDerWaalsContact O-N 3.14Å; K13-K15 PolarHBondContact O-N 2.79Å; K13-E16 PolarHBondContact O-N 2.82Å; K13-E16 VanDerWaalsContact O-N 3.07Å
14E69.9Low79.2Confident113 Ų11371.1 Ų71.153%0.52833%0.333SS..THydrogen-bonded Turntrans-64.4-4.7171.3-70.8168.2-176.500113.3L10 K11 E12 F162L10-E14 PolarHBondContact O-N 3.45Å; K11-E14 WeakPolarHBondContact O-CB 3.32Å; K11-E14 PolarHBondContact O-N 3.44Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.06Å; E14-F162 WeakPolarHBondContact O-CD1 3.5Å; E14-F162 WeakPolarHBondContact O-CE1 3.25Å; E14-F162 WeakPolarHBondContact O-CG 3.44Å; E14-F162 WeakPolarHBondContact O-CZ 3.32Å
15K83.9Confident79.3Confident105 Ų10568.5 Ų68.546%0.45732%0.32SS..THydrogen-bonded Turntrans-115.711173.9-61.4-168.5174.9-166.80113.1E12 K13 Y60 T61E12-K15 PolarHBondContact O-N 3.45Å; K13-K15 PolarHBondContact O-N 2.79Å; K15-Y60 HydrophobicContact CB-CD1 4.07Å; K15-Y60 HydrophobicContact CG-CD1 4.45Å; K15-Y60 CarbonylContact O-C 3.42Å; K15-Y60 WeakPolarHBondContact O-CA 3.39Å; K15-T61 PolarHBondContact O-N 3.42Å
16E87.8Confident79.4Confident78 Ų7872.7 Ų72.736%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-95.3119.2176.1-66.2-173.9-176.900110.7K13 T61K13-E16 PolarHBondContact O-N 2.82Å; K13-E16 VanDerWaalsContact O-N 3.07Å; E16-T61 CarbonylContact C-O 3.59Å; E16-T61 WeakPolarHBondContact CA-O 3.42Å
17M88.4Confident79.7Confident0 Ų069.7 Ų69.70%033%0.328CS..EExtended strand (participates in β ladder)trans-102.7130.9174-64179.8176.700109.8Y60 T61 L62 N63 V154 I157 A158 F162M17-Y60 HydrophobicContact CE-CD1 3.59Å; M17-Y60 HydrophobicContact CE-CD2 3.91Å; M17-Y60 HydrophobicContact CE-CE1 3.81Å; M17-Y60 HydrophobicContact CE-CE2 4.11Å; M17-Y60 HydrophobicContact CE-CG 3.65Å; M17-Y60 HydrophobicContact SD-CG 4.31Å; M17-T61 PolarHBondContact N-O 3.25Å; M17-L62 HydrophobicContact CB-CD2 3.79Å; M17-L62 HydrophobicContact CG-CD2 4.08Å; M17-L62 HydrophobicContact SD-CD2 3.59Å; M17-L62 VanDerWaalsContact SD-CD2 3.59Å; M17-N63 PolarHBondContact O-N 3.48Å; M17-V154 HydrophobicContact CE-CB 4.5Å; M17-V154 HydrophobicContact CE-CG1 3.83Å; M17-V154 VanDerWaalsContact CE-O 3.28Å; M17-V154 WeakPolarHBondContact CE-O 3.34Å; M17-V154 HydrophobicContact SD-CB 4.33Å; M17-V154 HydrophobicContact SD-CG1 4.05Å; M17-V154 HydrophobicContact SD-CG2 4.18Å; M17-I157 HydrophobicContact CE-CB 3.97Å; M17-I157 HydrophobicContact CE-CG2 3.84Å; M17-I157 HydrophobicContact CG-CG2 3.98Å; M17-I157 HydrophobicContact SD-CB 4.12Å; M17-I157 HydrophobicContact SD-CD1 4.05Å; M17-I157 HydrophobicContact SD-CG2 3.95Å; M17-A158 HydrophobicContact CE-CB 3.98Å; M17-F162 HydrophobicContact CE-CD2 4.08Å; M17-F162 HydrophobicContact CE-CE2 3.56Å; M17-F162 HydrophobicContact CG-CE2 3.75Å; M17-F162 HydrophobicContact CG-CZ 4.09Å
18R88.3Confident80.4Confident42 Ų4266.2 Ų66.216%0.15831%0.314CS..EExtended strand (participates in β ladder)trans-99.9111.5173.1-173166.7-179.2-90.5-7.6109.7Y80 E82 G83 T84 H85 C86R18-Y80 VanDerWaalsContact CZ-O 3.31Å; R18-Y80 PolarHBondContact NH1-O 2.57Å; R18-Y80 PolarHBondContact NH2-O 2.98Å; R18-E82 PolarHBondContact NH1-O 2.82Å; R18-G83 WeakPolarHBondContact CD-O 3.45Å; R18-T84 PolarHBondContact NH1-OG1 3.05Å; R18-H85 PolarHBondContact N-ND1 2.82Å; R18-H85 PolarHBondContact O-N 2.86Å; R18-C86 PolarHBondContact O-N 2.74Å
19I89Confident81.3Confident0 Ų059.6 Ų59.60%029%0.289CS..EExtended strand (participates in β ladder)trans-110.6125.2-177.8-60.2175.2000108.3V21 L62 N63 I64 W65 C86 I88 L153I19-V21 HydrophobicContact CG2-CG2 4.37Å; I19-L62 HydrophobicContact CD1-CB 4.1Å; I19-L62 HydrophobicContact CD1-CD1 4.03Å; I19-L62 HydrophobicContact CD1-CD2 4.26Å; I19-L62 HydrophobicContact CD1-CG 4.36Å; I19-N63 PolarHBondContact N-O 2.96Å; I19-I64 HydrophobicContact CB-CG1 4.23Å; I19-I64 HydrophobicContact CD1-CG1 4.42Å; I19-I64 CarbonylContact O-C 3.35Å; I19-I64 VanDerWaalsContact O-CA 3.31Å; I19-I64 WeakPolarHBondContact O-CA 3.43Å; I19-W65 PolarHBondContact O-N 2.9Å; I19-C86 CarbonylContact C-O 3.55Å; I19-C86 WeakPolarHBondContact CA-O 3.29Å; I19-C86 HydrophobicContact CG1-CB 4.33Å; I19-I88 HydrophobicContact CG2-CD1 3.87Å; I19-I88 HydrophobicContact CG2-CG1 3.94Å; I19-L153 HydrophobicContact CD1-CD2 3.94Å; I19-L153 HydrophobicContact CG1-CD2 4.5Å; I19-L153 HydrophobicContact CG2-CD2 4.42Å
20L89Confident82.2Confident4 Ų456 Ų562%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-102.4125.6174.9177.261.7000109.2V22 W65 V67 T84 C86 V87 I88L20-V22 HydrophobicContact CD1-CG1 4Å; L20-V22 HydrophobicContact CD2-CG1 4.16Å; L20-V22 HydrophobicContact CG-CG1 3.81Å; L20-W65 HydrophobicContact CD1-CB 4.01Å; L20-V67 HydrophobicContact CD1-CG2 3.63Å; L20-T84 HydrophobicContact CB-CG2 3.5Å; L20-T84 VanDerWaalsContact CB-CG2 3.5Å; L20-C86 PolarHBondContact N-O 2.78Å; L20-V87 HydrophobicContact CB-CG2 4.2Å; L20-V87 HydrophobicContact CD2-CG2 4.25Å; L20-V87 CarbonylContact O-C 3.57Å; L20-V87 VanDerWaalsContact O-CA 3.26Å; L20-V87 WeakPolarHBondContact O-CA 3.3Å; L20-I88 PolarHBondContact O-N 2.78Å
21V89.4Confident83.3Confident5 Ų552.8 Ų52.83%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-107.7115177-172.10000108.5I19 K29 I64 W65 N66 V67 I88I19-V21 HydrophobicContact CG2-CG2 4.37Å; V21-K29 HydrophobicContact CG1-CB 4.01Å; V21-K29 HydrophobicContact CG1-CD 4.08Å; V21-K29 HydrophobicContact CG1-CG 3.9Å; V21-I64 HydrophobicContact CG2-CG2 3.38Å; V21-W65 PolarHBondContact N-O 2.82Å; V21-N66 HydrophobicContact CB-CB 4.48Å; V21-V67 PolarHBondContact O-N 3.39Å; V21-I88 HydrophobicContact CB-CB 4.36Å; V21-I88 HydrophobicContact CG1-CB 4.14Å; V21-I88 HydrophobicContact CG1-CG2 4.05Å; V21-I88 HydrophobicContact CG2-CB 4.06Å; V21-I88 HydrophobicContact CG2-CD1 4.11Å; V21-I88 HydrophobicContact CG2-CG1 4.44Å
22V86.8Confident84.3Confident6 Ų646.6 Ų46.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-133.7165.8-177.5-680000111.2L20 V67 W77 V87 I88 L90L20-V22 HydrophobicContact CD1-CG1 4Å; L20-V22 HydrophobicContact CD2-CG1 4.16Å; L20-V22 HydrophobicContact CG-CG1 3.81Å; V22-V67 HydrophobicContact CG1-CB 4.32Å; V22-V67 HydrophobicContact CG1-CG2 4.5Å; V22-W77 HydrophobicContact CB-CD2 4.09Å; V22-W77 HydrophobicContact CB-CE3 4.05Å; V22-W77 HydrophobicContact CB-CZ3 4.27Å; V22-W77 HydrophobicContact CG1-CB 4.49Å; V22-W77 HydrophobicContact CG1-CD2 4.05Å; V22-W77 HydrophobicContact CG1-CE3 4.38Å; V22-W77 HydrophobicContact CG1-CG 4.12Å; V22-V87 HydrophobicContact CG2-CG1 3.41Å; V22-V87 VanDerWaalsContact CG2-CG1 3.41Å; V22-I88 PolarHBondContact N-O 3.04Å; V22-I88 VanDerWaalsContact O-O 3.13Å; V22-L90 WeakPolarHBondContact O-CB 3.39Å; V22-L90 PolarHBondContact O-N 3.07Å
23G84.6Confident85.6Confident0 Ų042.1 Ų42.10%022%0.215CC..EExtended strand (participates in β ladder)trans135.4-178.6174.500000112.3K29 G69 W77 L90G23-K29 WeakPolarHBondContact O-CE 3.29Å; G23-K29 PolarHBondContact O-NZ 3.32Å; G23-G69 VanDerWaalsContact O-CA 3.22Å; G23-G69 WeakPolarHBondContact O-CA 2.91Å; G23-W77 VanDerWaalsContact C-CH2 3.5Å; G23-W77 VanDerWaalsContact O-CZ2 3.3Å; G23-W77 WeakPolarHBondContact O-CZ2 3.36Å; G23-L90 VanDerWaalsContact CA-O 3.28Å; G23-L90 WeakPolarHBondContact CA-O 2.96Å
24L81.6Confident86.9Confident58 Ų5837.8 Ų37.830%0.30420%0.196SC..  trans-59.5158.1-164.7-55.7-175.3000113.3A27 K29 R74 L90 L91L24-A27 WeakPolarHBondContact O-CB 3.44Å; L24-A27 PolarHBondContact O-N 3.06Å; L24-K29 PolarHBondContact O-NZ 3.38Å; L24-R74 VanDerWaalsContact CD2-NH2 3.34Å; L24-L90 PolarHBondContact N-O 3.07Å; L24-L91 HydrophobicContact CD1-CD1 3.2Å; L24-L91 HydrophobicContact CD2-CB 4.48Å; L24-L91 HydrophobicContact CD2-CD1 4.38Å; L24-L91 HydrophobicContact CG-CB 4.22Å; L24-L91 HydrophobicContact CG-CD1 3.48Å; L24-L91 VanDerWaalsContact CG-CD1 3.48Å; L24-L91 HydrophobicContact CG-CG 4.41Å
25D82Confident87.8Confident88 Ų8835.7 Ų35.747%0.47118%0.183SC..THydrogen-bonded Turntrans-57.1149.4167.162-48.2000110.2A27 G69 R74D25-A27 PolarHBondContact O-N 3.49Å; D25-G69 PolarHBondContact N-O 2.91Å; D25-R74 IonicContact OD1-NH2 3.59Å; D25-R74 PolarHBondContact OD1-NH2 3.45Å
26N82.9Confident88Confident139 Ų13932.5 Ų32.574%0.74317%0.171SC*.THydrogen-bonded Turntrans60.26.3-175.6-159.728000116.4G28 K107N26-G28 PolarHBondContact O-N 2.65Å; N26-K107 VanDerWaalsContact O-CE 3.27Å; N26-K107 WeakPolarHBondContact O-CE 3.3Å; N26-K107 PolarHBondContact O-NZ 2.96Å
27A87.1Confident88Confident19 Ų1931 Ų3116%0.15717%0.168CC..SBendtrans-68.4-11.1175.700000113.9L24 D25 L90 N106L24-A27 WeakPolarHBondContact O-CB 3.44Å; L24-A27 PolarHBondContact O-N 3.06Å; D25-A27 PolarHBondContact O-N 3.49Å; A27-L90 HydrophobicContact CB-CB 3.86Å; A27-L90 HydrophobicContact CB-CD1 3.81Å; A27-L90 HydrophobicContact CB-CD2 4.16Å; A27-L90 HydrophobicContact CB-CG 4.18Å; A27-N106 PolarHBondContact O-ND2 3.29Å
28G89.2Confident88Confident18 Ų1834.6 Ų34.619%0.18620%0.204CC..  trans92.413.817600000115.6N26 T30 A31 I32N26-G28 PolarHBondContact O-N 2.65Å; G28-T30 PolarHBondContact O-N 2.81Å; G28-A31 WeakPolarHBondContact O-CB 3.41Å; G28-A31 PolarHBondContact O-N 3.21Å; G28-I32 WeakPolarHBondContact O-CG1 3.43Å; G28-I32 PolarHBondContact O-N 3Å
29K90.4Very high88.1Confident11 Ų1136 Ų365%0.04821%0.213CC..Hα-helixtrans-47.8-53179-64.4-176.7-62.2-67.80114.1V21 G23 L24 A31 I32 L33 N66 V67 L90V21-K29 HydrophobicContact CG1-CB 4.01Å; V21-K29 HydrophobicContact CG1-CD 4.08Å; V21-K29 HydrophobicContact CG1-CG 3.9Å; G23-K29 WeakPolarHBondContact O-CE 3.29Å; G23-K29 PolarHBondContact O-NZ 3.32Å; L24-K29 PolarHBondContact O-NZ 3.38Å; K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 3.15Å; K29-I32 PolarHBondContact O-N 3.22Å; K29-L33 WeakPolarHBondContact O-CB 3.02Å; K29-L33 PolarHBondContact O-N 3.11Å; K29-N66 VanDerWaalsContact CB-OD1 3.23Å; K29-N66 WeakPolarHBondContact CB-OD1 3.47Å; K29-V67 WeakPolarHBondContact CE-O 3.45Å; K29-L90 HydrophobicContact CB-CD1 4.5Å; K29-L90 HydrophobicContact CD-CD1 4.29Å; K29-L90 HydrophobicContact CG-CD1 3.38Å
30T90.6Very high88.1Confident32 Ų3241.2 Ų41.220%0.19624%0.24CC..Hα-helixtrans-67.1-34.5-179.1-51.70000111.7G28 K34 T47 N66G28-T30 PolarHBondContact O-N 2.81Å; T30-K34 HydrophobicContact CG2-CD 4.34Å; T30-K34 WeakPolarHBondContact O-CB 3.41Å; T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.33Å; T30-T47 PolarHBondContact OG1-OG1 3.1Å; T30-N66 PolarHBondContact OG1-ND2 3.37Å; T30-N66 VanDerWaalsContact OG1-ND2 3.1Å
31A90.2Very high88.1Confident22 Ų2242.1 Ų42.118%0.18225%0.246CC..Hα-helixtrans-67.7-46.2175.700000111.3G28 K29 L33 K34 R35 T44G28-A31 WeakPolarHBondContact O-CB 3.41Å; G28-A31 PolarHBondContact O-N 3.21Å; K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 3.15Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 2.6Å; A31-K34 PolarHBondContact O-N 2.89Å; A31-R35 WeakPolarHBondContact O-CB 3.49Å; A31-R35 PolarHBondContact O-N 3.18Å; A31-T44 HydrophobicContact CB-CG2 4.29Å
32I90.7Very high87.9Confident5 Ų545.8 Ų45.83%0.02627%0.272CS..Hα-helixtrans-54.3-50.2172.8-74.8170.3000110.4G28 K29 R35 L36 L104 N106 L146G28-I32 WeakPolarHBondContact O-CG1 3.43Å; G28-I32 PolarHBondContact O-N 3Å; K29-I32 PolarHBondContact O-N 3.22Å; I32-R35 PolarHBondContact O-N 2.79Å; I32-L36 HydrophobicContact CG2-CD1 4.03Å; I32-L36 WeakPolarHBondContact O-CG 3.1Å; I32-L36 PolarHBondContact O-N 3.27Å; I32-L104 HydrophobicContact CD1-CD1 4.03Å; I32-L104 HydrophobicContact CG2-CD1 4.16Å; I32-N106 HydrophobicContact CD1-CB 4.08Å; I32-L146 HydrophobicContact CB-CD2 4.5Å; I32-L146 HydrophobicContact CG2-CD1 3.84Å; I32-L146 HydrophobicContact CG2-CD2 4.01Å
33L91Very high87.7Confident4 Ų451.4 Ų51.42%0.02130%0.3CS..Hα-helixtrans-64.7-46.5-177.5-179.155.8000111.9K29 A31 R35 L36 T37 K53 I64 N66K29-L33 WeakPolarHBondContact O-CB 3.02Å; K29-L33 PolarHBondContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 2.6Å; L33-R35 VanDerWaalsContact C-N 3.27Å; L33-R35 PolarHBondContact O-N 2.77Å; L33-L36 PolarHBondContact O-N 2.85Å; L33-T37 HydrophobicContact CD1-CG2 4.36Å; L33-T37 PolarHBondContact O-N 3.09Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.84Å; L33-K53 HydrophobicContact CD1-CB 4.2Å; L33-K53 HydrophobicContact CD1-CD 4.05Å; L33-K53 HydrophobicContact CD1-CG 4.47Å; L33-K53 HydrophobicContact CD2-CB 4.25Å; L33-K53 HydrophobicContact CD2-CD 3.94Å; L33-K53 HydrophobicContact CD2-CG 3.95Å; L33-K53 HydrophobicContact CG-CD 3.74Å; L33-K53 HydrophobicContact CG-CG 4.27Å; L33-I64 HydrophobicContact CD1-CB 4.12Å; L33-I64 HydrophobicContact CD1-CD1 3.76Å; L33-I64 HydrophobicContact CD1-CG2 3.88Å; L33-I64 HydrophobicContact CD2-CG2 4.27Å; L33-N66 HydrophobicContact CD2-CB 3.69Å
34K91.3Very high87.5Confident45 Ų4554.7 Ų54.720%0.19632%0.321CS..Hα-helixtrans-57.9-42.7174.1-80.7177151.3-147.60111.6T30 A31 T37 G38 E39 D40 V41 I43 T44T30-K34 HydrophobicContact CG2-CD 4.34Å; T30-K34 WeakPolarHBondContact O-CB 3.41Å; T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.33Å; A31-K34 PolarHBondContact O-N 2.89Å; K34-T37 CarbonylContact O-C 3.54Å; K34-T37 PolarHBondContact O-N 2.77Å; K34-T37 PolarHBondContact O-OG1 2.79Å; K34-G38 PolarHBondContact O-N 2.93Å; K34-G38 VanDerWaalsContact O-N 3.1Å; K34-E39 HydrophobicContact CB-CB 3.88Å; K34-E39 HydrophobicContact CG-CB 4Å; K34-E39 PolarHBondContact O-N 2.79Å; K34-D40 WeakPolarHBondContact CD-O 3.27Å; K34-D40 PolarHBondContact NZ-O 3.34Å; K34-V41 HydrophobicContact CB-CG1 3.96Å; K34-I43 PolarHBondContact NZ-O 3.19Å; K34-T44 HydrophobicContact CD-CG2 4.07Å
35R90.3Very high87.6Confident68 Ų6856.9 Ų56.926%0.25734%0.337SS..Hα-helixtrans-64.2-44.3179.6-178.253.563.8120.24.8111.8A31 I32 L33 T37 G38 V41 G140 L141 L143 L146A31-R35 WeakPolarHBondContact O-CB 3.49Å; A31-R35 PolarHBondContact O-N 3.18Å; I32-R35 PolarHBondContact O-N 2.79Å; L33-R35 VanDerWaalsContact C-N 3.27Å; L33-R35 PolarHBondContact O-N 2.77Å; R35-T37 PolarHBondContact O-N 2.8Å; R35-G38 PolarHBondContact O-N 2.78Å; R35-V41 HydrophobicContact CB-CG1 3.99Å; R35-G140 WeakPolarHBondContact CB-O 3.28Å; R35-G140 WeakPolarHBondContact CG-O 3.42Å; R35-L141 PolarHBondContact NH1-O 2.9Å; R35-L141 PolarHBondContact NH2-O 3.43Å; R35-L143 HydrophobicContact CG-CB 4.23Å; R35-L143 HydrophobicContact CG-CD1 3.56Å; R35-L143 HydrophobicContact CG-CG 4.47Å; R35-L146 HydrophobicContact CG-CD2 4.37Å
36L87.4Confident87.7Confident39 Ų3956.6 Ų56.620%0.20434%0.34CS..Hα-helixtrans-61.1-30.9175.1-77.6171.8000113I32 L33 L146 I150I32-L36 HydrophobicContact CG2-CD1 4.03Å; I32-L36 WeakPolarHBondContact O-CG 3.1Å; I32-L36 PolarHBondContact O-N 3.27Å; L33-L36 PolarHBondContact O-N 2.85Å; L36-L146 HydrophobicContact CD1-CD1 4.4Å; L36-L146 HydrophobicContact CD1-CG 4.46Å; L36-L146 HydrophobicContact CD2-CD1 4.47Å; L36-L146 HydrophobicContact CD2-CD2 4.07Å; L36-L146 HydrophobicContact CD2-CG 3.78Å; L36-L146 HydrophobicContact CG-CD2 3.89Å; L36-L146 HydrophobicContact CG-CG 4.05Å; L36-I150 HydrophobicContact CD1-CD1 3.91Å; L36-I150 HydrophobicContact CD1-CG1 3.83Å; L36-I150 HydrophobicContact CD2-CG1 3.81Å; L36-I150 HydrophobicContact CG-CG1 4.49Å
37T88.6Confident87.7Confident47 Ų4751.4 Ų51.429%0.28831%0.313SS..THydrogen-bonded Turntrans-95.46.9179.856.30000114L33 K34 R35 E39 K53L33-T37 HydrophobicContact CD1-CG2 4.36Å; L33-T37 PolarHBondContact O-N 3.09Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.84Å; K34-T37 CarbonylContact O-C 3.54Å; K34-T37 PolarHBondContact O-N 2.77Å; K34-T37 PolarHBondContact O-OG1 2.79Å; R35-T37 PolarHBondContact O-N 2.8Å; T37-E39 WeakPolarHBondContact CB-OE1 3.33Å; T37-E39 PolarHBondContact O-N 3.39Å; T37-E39 PolarHBondContact OG1-OE1 3Å; T37-K53 HydrophobicContact CG2-CD 3.76Å
38G87.7Confident87.5Confident74 Ų7457.7 Ų57.776%0.76334%0.337SS*.THydrogen-bonded Turntrans70.117.9179.900000114.3K34 R35K34-G38 PolarHBondContact O-N 2.93Å; K34-G38 VanDerWaalsContact O-N 3.1Å; R35-G38 PolarHBondContact O-N 2.78Å
39E90.3Very high87.2Confident73 Ų7359.6 Ų59.634%0.34135%0.348SS..  trans-84155.2175.6-75.9163.9-111.600112.2K34 T37 V41 K53K34-E39 HydrophobicContact CB-CB 3.88Å; K34-E39 HydrophobicContact CG-CB 4Å; K34-E39 PolarHBondContact O-N 2.79Å; T37-E39 WeakPolarHBondContact CB-OE1 3.33Å; T37-E39 PolarHBondContact O-N 3.39Å; T37-E39 PolarHBondContact OG1-OE1 3Å; E39-V41 PolarHBondContact O-N 3.09Å; E39-K53 WeakPolarHBondContact OE1-CE 3.33Å; E39-K53 IonicContact OE1-NZ 2.57Å; E39-K53 PolarHBondContact OE1-NZ 2.71Å; E39-K53 IonicContact OE2-NZ 2.74Å; E39-K53 PolarHBondContact OE2-NZ 3.49Å
40D88.7Confident87.1Confident108 Ų10862.9 Ų62.958%0.57836%0.362SS*.  trans-65.8124.7176.2-1737.4000111.8K34 S42K34-D40 WeakPolarHBondContact CD-O 3.27Å; K34-D40 PolarHBondContact NZ-O 3.34Å; D40-S42 WeakPolarHBondContact OD1-CB 3.31Å; D40-S42 PolarHBondContact OD1-N 3.25Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.05Å
41V88.5Confident87Confident23 Ų2364.5 Ų64.514%0.13937%0.369CS..  trans-94.5-4.5178.1-57.10000113.3K34 R35 E39 I43 L141K34-V41 HydrophobicContact CB-CG1 3.96Å; R35-V41 HydrophobicContact CB-CG1 3.99Å; E39-V41 PolarHBondContact O-N 3.09Å; V41-I43 PolarHBondContact O-N 2.93Å; V41-L141 HydrophobicContact CG2-CD1 4.16Å
42S85.6Confident86.9Confident83 Ų8366.7 Ų66.758%0.5838%0.377SS*.SBendtrans-56.8-34.3-177.3690000112.7D40D40-S42 WeakPolarHBondContact OD1-CB 3.31Å; D40-S42 PolarHBondContact OD1-N 3.25Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.05Å
43I82.7Confident87Confident123 Ų12368.4 Ų68.463%0.63139%0.385SS*.  trans-123.7114178.5-57.3172.6000108.9K34 V41K34-I43 PolarHBondContact NZ-O 3.19Å; V41-I43 PolarHBondContact O-N 2.93Å
44T81.3Confident87Confident70 Ų7072.4 Ų72.443%0.42941%0.41SS..  trans-126.4127.5167.662.70000109.8A31 K34A31-T44 HydrophobicContact CB-CG2 4.29Å; K34-T44 HydrophobicContact CD-CG2 4.07Å
45T83.2Confident87Confident104 Ų10471.8 Ų71.864%0.63841%0.408SS*.  trans-98.1151.717153.10000110.3T47T45-T47 PolarHBondContact O-N 2.53Å
46P84.2Confident87.1Confident82 Ų8273 Ų7353%0.53243%0.432SS..  trans-53.4130.8172.9-26.535.2000111.3F48P46-F48 VanDerWaalsContact O-CD2 3.27Å; P46-F48 WeakPolarHBondContact O-CD2 3.44Å; P46-F48 PolarHBondContact O-N 3.14Å
47T83.2Confident87.3Confident30 Ų3073.2 Ų73.218%0.18443%0.431CS..  trans-77.7112.4178.9-540000109.5T30 T45 S49 G68 L73T30-T47 PolarHBondContact OG1-OG1 3.1Å; T45-T47 PolarHBondContact O-N 2.53Å; T47-S49 VanDerWaalsContact C-N 3.33Å; T47-G68 VanDerWaalsContact O-CA 3.27Å; T47-G68 WeakPolarHBondContact O-CA 3.28Å; T47-L73 WeakPolarHBondContact O-CD1 3.47Å
48F82Confident87.4Confident150 Ų15078.4 Ų78.466%0.65845%0.445SS*.SBendtrans-82.7-4.7-177.2-75.3-78.4000114.5P46 L73P46-F48 VanDerWaalsContact O-CD2 3.27Å; P46-F48 WeakPolarHBondContact O-CD2 3.44Å; P46-F48 PolarHBondContact O-N 3.14Å; F48-L73 WeakPolarHBondContact O-CD1 3.42Å
49S84Confident87.5Confident59 Ų5977.7 Ų77.741%0.41344%0.438SS..SBendtrans-151.7-115.3179.3-177.50000108.9T47 G68T47-S49 VanDerWaalsContact C-N 3.33Å; S49-G68 WeakPolarHBondContact O-CA 3.11Å; S49-G68 PolarHBondContact O-N 3.18Å
50F87.6Confident87.5Confident80 Ų8076.8 Ų76.835%0.35143%0.432SS..EExtended strand (participates in β ladder)trans-135.4161.7170.466.3-81.5000110.5I52 W65 N66 V67 Y80F50-I52 HydrophobicContact CD2-CD1 4.4Å; F50-I52 HydrophobicContact CD2-CG1 3.92Å; F50-I52 HydrophobicContact CE2-CD1 3.92Å; F50-I52 HydrophobicContact CE2-CG1 3.93Å; F50-W65 AromaticContact CD2-CE3 3.99Å; F50-W65 HydrophobicContact CD2-CE3 3.99Å; F50-W65 HydrophobicContact CD2-CZ3 4.12Å; F50-W65 HydrophobicContact CE2-CE3 4.17Å; F50-W65 AromaticContact CE2-CZ3 3.83Å; F50-W65 HydrophobicContact CE2-CZ3 3.83Å; F50-N66 CarbonylContact C-O 3.55Å; F50-N66 WeakPolarHBondContact CA-O 3.35Å; F50-N66 WeakPolarHBondContact CB-O 3.3Å; F50-V67 HydrophobicContact CB-CG2 4.16Å; F50-Y80 HydrophobicContact CB-CE1 4.4Å; F50-Y80 AromaticContact CD1-CE1 3.76Å; F50-Y80 HydrophobicContact CD1-CE1 3.76Å; F50-Y80 AromaticContact CD1-CZ 3.68Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.45Å; F50-Y80 HydrophobicContact CD2-CE1 4.33Å; F50-Y80 HydrophobicContact CE1-CE1 4.08Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.18Å; F50-Y80 AromaticContact CG-CE1 3.89Å; F50-Y80 HydrophobicContact CG-CE1 3.89Å
51N88Confident87.6Confident65 Ų6574 Ų7435%0.34842%0.419SS..EExtended strand (participates in β ladder)trans-128.9139.5170.4175.4-112.1000108.3K53 N66N51-K53 WeakPolarHBondContact OD1-CG 3.41Å; N51-N66 PolarHBondContact N-O 3.32Å; N51-N66 PolarHBondContact O-N 3.37Å
52I89.6Confident87.8Confident68 Ų6873 Ų7335%0.34941%0.413SS..EExtended strand (participates in β ladder)trans-109129.8172.3-52.6171.7000107.7F50 I64 W65F50-I52 HydrophobicContact CD2-CD1 4.4Å; F50-I52 HydrophobicContact CD2-CG1 3.92Å; F50-I52 HydrophobicContact CE2-CD1 3.92Å; F50-I52 HydrophobicContact CE2-CG1 3.93Å; I52-I64 CarbonylContact C-O 3.5Å; I52-I64 VanDerWaalsContact CA-O 3.29Å; I52-I64 WeakPolarHBondContact CA-O 3.48Å; I52-W65 HydrophobicContact CD1-CD2 3.93Å; I52-W65 HydrophobicContact CD1-CE3 3.73Å; I52-W65 HydrophobicContact CD1-CH2 3.34Å; I52-W65 HydrophobicContact CD1-CZ2 3.54Å; I52-W65 HydrophobicContact CD1-CZ3 3.43Å; I52-W65 VanDerWaalsContact CD1-CZ3 3.43Å; I52-W65 HydrophobicContact CG1-CD2 3.79Å; I52-W65 HydrophobicContact CG1-CE3 3.71Å; I52-W65 HydrophobicContact CG1-CG 4.39Å; I52-W65 HydrophobicContact CG1-CH2 4.25Å; I52-W65 HydrophobicContact CG1-CZ2 4.31Å; I52-W65 HydrophobicContact CG1-CZ3 3.95Å
53K91.4Very high88.1Confident41 Ų4170.5 Ų70.518%0.17839%0.393CS..EExtended strand (participates in β ladder)trans-121.8135.7164.8-69-163.9-169.9-84.60109.9L33 T37 E39 N51 I64L33-K53 HydrophobicContact CD1-CB 4.2Å; L33-K53 HydrophobicContact CD1-CD 4.05Å; L33-K53 HydrophobicContact CD1-CG 4.47Å; L33-K53 HydrophobicContact CD2-CB 4.25Å; L33-K53 HydrophobicContact CD2-CD 3.94Å; L33-K53 HydrophobicContact CD2-CG 3.95Å; L33-K53 HydrophobicContact CG-CD 3.74Å; L33-K53 HydrophobicContact CG-CG 4.27Å; T37-K53 HydrophobicContact CG2-CD 3.76Å; E39-K53 WeakPolarHBondContact OE1-CE 3.33Å; E39-K53 IonicContact OE1-NZ 2.57Å; E39-K53 PolarHBondContact OE1-NZ 2.71Å; E39-K53 IonicContact OE2-NZ 2.74Å; E39-K53 PolarHBondContact OE2-NZ 3.49Å; N51-K53 WeakPolarHBondContact OD1-CG 3.41Å; K53-I64 PolarHBondContact N-O 3.42Å; K53-I64 PolarHBondContact O-N 2.68Å
54T91.9Very high88.5Confident89 Ų8964.8 Ų64.855%0.54636%0.364SS..EExtended strand (participates in β ladder)trans-107.8126.2172.5-60.40000108.1T61 L62 N63T54-T61 HydrophobicContact CG2-CG2 3.45Å; T54-T61 VanDerWaalsContact CG2-CG2 3.45Å; T54-L62 VanDerWaalsContact CA-O 3.3Å; T54-L62 WeakPolarHBondContact CA-O 3.37Å; T54-N63 VanDerWaalsContact CG2-OD1 3.29Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.21Å; T54-N63 PolarHBondContact OG1-OD1 2.91Å
55L91.2Very high88.9Confident31 Ų3164.2 Ų64.216%0.16235%0.354CS..EExtended strand (participates in β ladder)trans-129.4148.4172.770.3139.1000111.5Y57 T61 L62 I64L55-Y57 HydrophobicContact CD1-CD2 4.07Å; L55-Y57 HydrophobicContact CD1-CG 4.33Å; L55-T61 CarbonylContact O-C 3.59Å; L55-L62 HydrophobicContact CD1-CD1 4.22Å; L55-L62 HydrophobicContact CD2-CB 3.91Å; L55-L62 HydrophobicContact CD2-CD1 4.39Å; L55-L62 HydrophobicContact CG-CB 4.01Å; L55-L62 HydrophobicContact CG-CD1 4.29Å; L55-L62 HydrophobicContact CG-CG 4.33Å; L55-L62 PolarHBondContact N-O 3.34Å; L55-L62 PolarHBondContact O-N 3.07Å; L55-I64 HydrophobicContact CD2-CD1 3.35Å; L55-I64 HydrophobicContact CD2-CG1 3.89Å
56A92.1Very high89.2Confident93 Ų9359.3 Ų59.377%0.76932%0.323SS*.EExtended strand (participates in β ladder)trans-85.4126.8166.900000108.9Y60A56-Y60 CarbonylContact C-O 3.59Å; A56-Y60 WeakPolarHBondContact CA-O 3.2Å
57Y92.2Very high89.4Confident44 Ų4455.5 Ų55.517%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-146122.8-177.8-165.2-96.4000111.1L55 G59 Y60 L62 V147 I150 D151 V154L55-Y57 HydrophobicContact CD1-CD2 4.07Å; L55-Y57 HydrophobicContact CD1-CG 4.33Å; Y57-G59 PolarHBondContact O-N 2.9Å; Y57-Y60 PolarHBondContact N-O 2.88Å; Y57-Y60 WeakPolarHBondContact O-CA 3.49Å; Y57-Y60 WeakPolarHBondContact O-CB 3.18Å; Y57-Y60 PolarHBondContact O-N 3.32Å; Y57-L62 HydrophobicContact CD1-CD1 4.22Å; Y57-L62 HydrophobicContact CG-CD1 4.04Å; Y57-V147 WeakPolarHBondContact OH-CG1 3.47Å; Y57-I150 HydrophobicContact CD1-CG2 4.19Å; Y57-I150 HydrophobicContact CE1-CG2 3.81Å; Y57-D151 WeakPolarHBondContact CE1-OD1 3.43Å; Y57-D151 VanDerWaalsContact CZ-OD1 3.23Å; Y57-D151 PolarHBondContact OH-OD1 2.81Å; Y57-V154 HydrophobicContact CD1-CG1 4.48Å; Y57-V154 HydrophobicContact CD1-CG2 3.93Å; Y57-V154 HydrophobicContact CE1-CG2 4.3Å
58R90.7Very high89.6Confident156 Ų15654.1 Ų54.159%0.58929%0.29SS*.THydrogen-bonded Turntrans45.938.8179.7-65.9-168.9176.8-94.74.4114.9Y60 D151R58-Y60 VanDerWaalsContact C-N 3.31Å; R58-Y60 WeakPolarHBondContact O-CD2 3.31Å; R58-Y60 PolarHBondContact O-N 2.84Å; R58-D151 WeakPolarHBondContact CD-OD1 3.32Å; R58-D151 IonicContact CZ-OD1 3.66Å; R58-D151 IonicContact CZ-OD2 3.46Å; R58-D151 VanDerWaalsContact NE-CG 3.33Å; R58-D151 IonicContact NE-OD1 3.35Å; R58-D151 PolarHBondContact NE-OD1 3.33Å; R58-D151 IonicContact NE-OD2 2.68Å; R58-D151 PolarHBondContact NE-OD2 3.25Å; R58-D151 IonicContact NH2-OD1 3.97Å; R58-D151 PolarHBondContact NH2-OD1 3.26Å; R58-D151 IonicContact NH2-OD2 3.42Å; R58-D151 PolarHBondContact NH2-OD2 3.4Å
59G89.3Confident89.7Confident60 Ų6047.1 Ų47.162%0.61926%0.261SS*.THydrogen-bonded Turntrans82.81.8179.600000115.2Y57Y57-G59 PolarHBondContact O-N 2.9Å
60Y90.9Very high89.6Confident54 Ų5446.8 Ų46.821%0.21225%0.252CS..EExtended strand (participates in β ladder)trans-106.9157.1172.4-61.1-81.4000111.1K15 M17 A56 Y57 R58 V154 A158 F162K15-Y60 HydrophobicContact CB-CD1 4.07Å; K15-Y60 HydrophobicContact CG-CD1 4.45Å; K15-Y60 CarbonylContact O-C 3.42Å; K15-Y60 WeakPolarHBondContact O-CA 3.39Å; M17-Y60 HydrophobicContact CE-CD1 3.59Å; M17-Y60 HydrophobicContact CE-CD2 3.91Å; M17-Y60 HydrophobicContact CE-CE1 3.81Å; M17-Y60 HydrophobicContact CE-CE2 4.11Å; M17-Y60 HydrophobicContact CE-CG 3.65Å; M17-Y60 HydrophobicContact SD-CG 4.31Å; A56-Y60 CarbonylContact C-O 3.59Å; A56-Y60 WeakPolarHBondContact CA-O 3.2Å; Y57-Y60 PolarHBondContact N-O 2.88Å; Y57-Y60 WeakPolarHBondContact O-CA 3.49Å; Y57-Y60 WeakPolarHBondContact O-CB 3.18Å; Y57-Y60 PolarHBondContact O-N 3.32Å; R58-Y60 VanDerWaalsContact C-N 3.31Å; R58-Y60 WeakPolarHBondContact O-CD2 3.31Å; R58-Y60 PolarHBondContact O-N 2.84Å; Y60-V154 HydrophobicContact CD2-CG1 3.64Å; Y60-V154 HydrophobicContact CE2-CG1 4.09Å; Y60-V154 HydrophobicContact CG-CG1 4.42Å; Y60-A158 HydrophobicContact CE1-CB 4.41Å; Y60-A158 HydrophobicContact CE2-CB 4.17Å; Y60-A158 VanDerWaalsContact OH-CB 3.28Å; Y60-A158 WeakPolarHBondContact OH-CB 3.18Å; Y60-F162 HydrophobicContact CD1-CD2 4.23Å; Y60-F162 AromaticContact CD1-CE2 3.99Å; Y60-F162 HydrophobicContact CD1-CE2 3.99Å; Y60-F162 AromaticContact CE1-CD2 3.59Å; Y60-F162 HydrophobicContact CE1-CD2 3.59Å; Y60-F162 AromaticContact CE1-CE2 3.83Å; Y60-F162 HydrophobicContact CE1-CE2 3.83Å
61T91.3Very high89.3Confident48 Ų4849.1 Ų49.129%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-102.3111.8169.7-60.60000108.1K15 E16 M17 T54 L55K15-T61 PolarHBondContact O-N 3.42Å; E16-T61 CarbonylContact C-O 3.59Å; E16-T61 WeakPolarHBondContact CA-O 3.42Å; M17-T61 PolarHBondContact N-O 3.25Å; T54-T61 HydrophobicContact CG2-CG2 3.45Å; T54-T61 VanDerWaalsContact CG2-CG2 3.45Å; L55-T61 CarbonylContact O-C 3.59Å
62L91.8Very high89.1Confident2 Ų253.2 Ų53.21%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-93.2113.3179-46.2-172.5000109.5M17 I19 T54 L55 Y57 I64 I150 V154M17-L62 HydrophobicContact CB-CD2 3.79Å; M17-L62 HydrophobicContact CG-CD2 4.08Å; M17-L62 HydrophobicContact SD-CD2 3.59Å; M17-L62 VanDerWaalsContact SD-CD2 3.59Å; I19-L62 HydrophobicContact CD1-CB 4.1Å; I19-L62 HydrophobicContact CD1-CD1 4.03Å; I19-L62 HydrophobicContact CD1-CD2 4.26Å; I19-L62 HydrophobicContact CD1-CG 4.36Å; T54-L62 VanDerWaalsContact CA-O 3.3Å; T54-L62 WeakPolarHBondContact CA-O 3.37Å; L55-L62 HydrophobicContact CD1-CD1 4.22Å; L55-L62 HydrophobicContact CD2-CB 3.91Å; L55-L62 HydrophobicContact CD2-CD1 4.39Å; L55-L62 HydrophobicContact CG-CB 4.01Å; L55-L62 HydrophobicContact CG-CD1 4.29Å; L55-L62 HydrophobicContact CG-CG 4.33Å; L55-L62 PolarHBondContact N-O 3.34Å; L55-L62 PolarHBondContact O-N 3.07Å; Y57-L62 HydrophobicContact CD1-CD1 4.22Å; Y57-L62 HydrophobicContact CG-CD1 4.04Å; L62-I64 HydrophobicContact CB-CG1 4.29Å; L62-I150 HydrophobicContact CD1-CG2 4.34Å; L62-V154 HydrophobicContact CD1-CG2 3.9Å; L62-V154 HydrophobicContact CD2-CG2 3.95Å
63N90.9Very high88.5Confident31 Ų3151.3 Ų51.317%0.16628%0.277CS..EExtended strand (participates in β ladder)trans-94.396.1172.5-67.9-46000108.8M17 I19 T54M17-N63 PolarHBondContact O-N 3.48Å; I19-N63 PolarHBondContact N-O 2.96Å; T54-N63 VanDerWaalsContact CG2-OD1 3.29Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.21Å; T54-N63 PolarHBondContact OG1-OD1 2.91Å
64I91.4Very high88Confident3 Ų352.7 Ų52.72%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-93.8115.3-175.4-54.5-173.5000110.6I19 V21 L33 I52 K53 L55 L62I19-I64 HydrophobicContact CB-CG1 4.23Å; I19-I64 HydrophobicContact CD1-CG1 4.42Å; I19-I64 CarbonylContact O-C 3.35Å; I19-I64 VanDerWaalsContact O-CA 3.31Å; I19-I64 WeakPolarHBondContact O-CA 3.43Å; V21-I64 HydrophobicContact CG2-CG2 3.38Å; L33-I64 HydrophobicContact CD1-CB 4.12Å; L33-I64 HydrophobicContact CD1-CD1 3.76Å; L33-I64 HydrophobicContact CD1-CG2 3.88Å; L33-I64 HydrophobicContact CD2-CG2 4.27Å; I52-I64 CarbonylContact C-O 3.5Å; I52-I64 VanDerWaalsContact CA-O 3.29Å; I52-I64 WeakPolarHBondContact CA-O 3.48Å; K53-I64 PolarHBondContact N-O 3.42Å; K53-I64 PolarHBondContact O-N 2.68Å; L55-I64 HydrophobicContact CD2-CD1 3.35Å; L55-I64 HydrophobicContact CD2-CG1 3.89Å; L62-I64 HydrophobicContact CB-CG1 4.29Å
65W90.6Very high87.3Confident59 Ų5952 Ų5222%0.22328%0.28CS..EExtended strand (participates in β ladder)trans-97.698.2175.2-65.971.8000109.6I19 L20 V21 F50 I52 Y80I19-W65 PolarHBondContact O-N 2.9Å; L20-W65 HydrophobicContact CD1-CB 4.01Å; V21-W65 PolarHBondContact N-O 2.82Å; F50-W65 AromaticContact CD2-CE3 3.99Å; F50-W65 HydrophobicContact CD2-CE3 3.99Å; F50-W65 HydrophobicContact CD2-CZ3 4.12Å; F50-W65 HydrophobicContact CE2-CE3 4.17Å; F50-W65 AromaticContact CE2-CZ3 3.83Å; F50-W65 HydrophobicContact CE2-CZ3 3.83Å; I52-W65 HydrophobicContact CD1-CD2 3.93Å; I52-W65 HydrophobicContact CD1-CE3 3.73Å; I52-W65 HydrophobicContact CD1-CH2 3.34Å; I52-W65 HydrophobicContact CD1-CZ2 3.54Å; I52-W65 HydrophobicContact CD1-CZ3 3.43Å; I52-W65 VanDerWaalsContact CD1-CZ3 3.43Å; I52-W65 HydrophobicContact CG1-CD2 3.79Å; I52-W65 HydrophobicContact CG1-CE3 3.71Å; I52-W65 HydrophobicContact CG1-CG 4.39Å; I52-W65 HydrophobicContact CG1-CH2 4.25Å; I52-W65 HydrophobicContact CG1-CZ2 4.31Å; I52-W65 HydrophobicContact CG1-CZ3 3.95Å; W65-Y80 AromaticContact CE3-CD1 3.83Å; W65-Y80 HydrophobicContact CE3-CD1 3.83Å; W65-Y80 HydrophobicContact CE3-CE1 4.23Å; W65-Y80 HydrophobicContact CZ3-CD1 4.09Å; W65-Y80 HydrophobicContact CZ3-CE1 4.25Å
66N90Very high86.5Confident0 Ų056.5 Ų56.50%030%0.296CS..EExtended strand (participates in β ladder)trans-88.5115.8175171.247.9000110.7V21 K29 T30 L33 F50 N51V21-N66 HydrophobicContact CB-CB 4.48Å; K29-N66 VanDerWaalsContact CB-OD1 3.23Å; K29-N66 WeakPolarHBondContact CB-OD1 3.47Å; T30-N66 PolarHBondContact OG1-ND2 3.37Å; T30-N66 VanDerWaalsContact OG1-ND2 3.1Å; L33-N66 HydrophobicContact CD2-CB 3.69Å; F50-N66 CarbonylContact C-O 3.55Å; F50-N66 WeakPolarHBondContact CA-O 3.35Å; F50-N66 WeakPolarHBondContact CB-O 3.3Å; N51-N66 PolarHBondContact N-O 3.32Å; N51-N66 PolarHBondContact O-N 3.37Å
67V88.4Confident85.8Confident3 Ų352.8 Ų52.82%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-105.2142.7-177.1-171.70000111L20 V21 V22 K29 F50 W77 Y80L20-V67 HydrophobicContact CD1-CG2 3.63Å; V21-V67 PolarHBondContact O-N 3.39Å; V22-V67 HydrophobicContact CG1-CB 4.32Å; V22-V67 HydrophobicContact CG1-CG2 4.5Å; K29-V67 WeakPolarHBondContact CE-O 3.45Å; F50-V67 HydrophobicContact CB-CG2 4.16Å; V67-W77 VanDerWaalsContact CG1-CD1 3.46Å; V67-Y80 HydrophobicContact CG1-CD2 4.26Å; V67-Y80 HydrophobicContact CG1-CE2 4.11Å; V67-Y80 HydrophobicContact CG2-CD2 3.92Å; V67-Y80 HydrophobicContact CG2-CE2 4.3Å; V67-Y80 HydrophobicContact CG2-CG 4.06Å
68G86.6Confident84.6Confident0 Ų056.2 Ų56.20%027%0.274CS..  trans-58138.2178.100000112.8T47 S49 W77T47-G68 VanDerWaalsContact O-CA 3.27Å; T47-G68 WeakPolarHBondContact O-CA 3.28Å; S49-G68 WeakPolarHBondContact O-CA 3.11Å; S49-G68 PolarHBondContact O-N 3.18Å; G68-W77 PolarHBondContact O-NE1 3.34Å
69G83.5Confident83.7Confident4 Ų454.2 Ų54.24%0.04128%0.276CS..  trans-91.3-8.8-174.600000115.9G23 D25 R74G23-G69 VanDerWaalsContact O-CA 3.22Å; G23-G69 WeakPolarHBondContact O-CA 2.91Å; D25-G69 PolarHBondContact N-O 2.91Å; G69-R74 PolarHBondContact O-NE 3.3Å; G69-R74 PolarHBondContact O-NH2 3.2Å
70Q83.1Confident82.3Confident51 Ų5153.2 Ų53.224%0.23825%0.254CS..SBendtrans-61.1144.1-174.6-63178.41200110M72 L73 R74Q70-M72 PolarHBondContact O-N 3.39Å; Q70-M72 VanDerWaalsContact O-N 3.09Å; Q70-L73 HydrophobicContact CB-CD1 4.28Å; Q70-L73 HydrophobicContact CB-CG 4.44Å; Q70-L73 PolarHBondContact O-N 2.93Å; Q70-R74 WeakPolarHBondContact O-CG 3.18Å; Q70-R74 PolarHBondContact O-N 3.39Å
71L80.8Confident80.7Confident129 Ų12952.6 Ų52.668%0.67526%0.257SS*.Hα-helixtrans-49.3-42.8-175.1-176.761.4000112.9L73 R74L71-L73 PolarHBondContact O-N 2.87Å; L71-R74 PolarHBondContact O-N 3.43Å
72M82.7Confident79.2Confident151 Ų15158.8 Ų58.874%0.74428%0.283SS*.Hα-helixtrans-62.8-24.1179.1-60.8-62.2-64.900114.2Q70Q70-M72 PolarHBondContact O-N 3.39Å; Q70-M72 VanDerWaalsContact O-N 3.09Å
73L77.8Confident77.3Confident29 Ų2961.4 Ų61.415%0.15231%0.31CS..Hα-helixtrans-94.6-16.4-177.4-62.6174.8000113.1T47 F48 Q70 L71 S75 Y76T47-L73 WeakPolarHBondContact O-CD1 3.47Å; F48-L73 WeakPolarHBondContact O-CD1 3.42Å; Q70-L73 HydrophobicContact CB-CD1 4.28Å; Q70-L73 HydrophobicContact CB-CG 4.44Å; Q70-L73 PolarHBondContact O-N 2.93Å; L71-L73 PolarHBondContact O-N 2.87Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.96Å; L73-Y76 WeakPolarHBondContact O-CB 3.34Å; L73-Y76 PolarHBondContact O-N 3.42Å
74R80.5Confident75.6Confident69 Ų6960.4 Ų60.426%0.2631%0.305SS..Hα-helixtrans-63.2-31.3-174.2-58.8-172.5-171.3165.54.2112.8L24 D25 G69 Q70 L71 Y76 W77L24-R74 VanDerWaalsContact CD2-NH2 3.34Å; D25-R74 IonicContact OD1-NH2 3.59Å; D25-R74 PolarHBondContact OD1-NH2 3.45Å; G69-R74 PolarHBondContact O-NE 3.3Å; G69-R74 PolarHBondContact O-NH2 3.2Å; Q70-R74 WeakPolarHBondContact O-CG 3.18Å; Q70-R74 PolarHBondContact O-N 3.39Å; L71-R74 PolarHBondContact O-N 3.43Å; R74-Y76 PolarHBondContact O-N 3.05Å; R74-W77 HydrophobicContact CB-CD2 4.41Å; R74-W77 HydrophobicContact CB-CZ2 4.38Å; R74-W77 HydrophobicContact CG-CH2 4.08Å; R74-W77 HydrophobicContact CG-CZ2 3.72Å; R74-W77 WeakPolarHBondContact O-CB 3.5Å; R74-W77 PolarHBondContact O-N 3.06Å
75S76.9Confident73.4Confident74 Ų7463 Ų6352%0.51732%0.317SS..THydrogen-bonded Turntrans-61.4-27.3174.553.70000113.2L73L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.96Å
76Y75.9Confident71.5Confident127 Ų12760.2 Ų60.250%0.49831%0.306SS..THydrogen-bonded Turntrans-86.4-11-179.9-62.2-85.3000113.6L73 R74 R78 N79 Y80L73-Y76 WeakPolarHBondContact O-CB 3.34Å; L73-Y76 PolarHBondContact O-N 3.42Å; R74-Y76 PolarHBondContact O-N 3.05Å; Y76-R78 PolarHBondContact O-N 2.85Å; Y76-R78 VanDerWaalsContact O-N 3.14Å; Y76-N79 VanDerWaalsContact O-CB 3.31Å; Y76-N79 WeakPolarHBondContact O-CB 3.35Å; Y76-N79 PolarHBondContact O-N 2.96Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.49Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.24Å
77W75.8Confident70Confident14 Ų1460.2 Ų60.25%0.05331%0.306CS..G310 helixtrans-55.4-35.7-179.1-70.52.7000112.4V22 G23 V67 G68 R74 N79 Y80V22-W77 HydrophobicContact CB-CD2 4.09Å; V22-W77 HydrophobicContact CB-CE3 4.05Å; V22-W77 HydrophobicContact CB-CZ3 4.27Å; V22-W77 HydrophobicContact CG1-CB 4.49Å; V22-W77 HydrophobicContact CG1-CD2 4.05Å; V22-W77 HydrophobicContact CG1-CE3 4.38Å; V22-W77 HydrophobicContact CG1-CG 4.12Å; G23-W77 VanDerWaalsContact C-CH2 3.5Å; G23-W77 VanDerWaalsContact O-CZ2 3.3Å; G23-W77 WeakPolarHBondContact O-CZ2 3.36Å; V67-W77 VanDerWaalsContact CG1-CD1 3.46Å; G68-W77 PolarHBondContact O-NE1 3.34Å; R74-W77 HydrophobicContact CB-CD2 4.41Å; R74-W77 HydrophobicContact CB-CZ2 4.38Å; R74-W77 HydrophobicContact CG-CH2 4.08Å; R74-W77 HydrophobicContact CG-CZ2 3.72Å; R74-W77 WeakPolarHBondContact O-CB 3.5Å; R74-W77 PolarHBondContact O-N 3.06Å; W77-N79 PolarHBondContact O-N 3.28Å; W77-Y80 PolarHBondContact O-N 2.61Å
78R68.2Low68.7Low116 Ų11660.2 Ų60.244%0.43831%0.306SS..G310 helixtrans-61.2-26.4177.2-63180-177.3137.85.7113.4Y76 Y80 S81 E93Y76-R78 PolarHBondContact O-N 2.85Å; Y76-R78 VanDerWaalsContact O-N 3.14Å; R78-Y80 PolarHBondContact O-N 3.1Å; R78-S81 PolarHBondContact O-N 2.92Å; R78-S81 PolarHBondContact O-OG 3.32Å; R78-E93 IonicContact CZ-OE1 3.49Å; R78-E93 IonicContact NE-OE1 3.61Å; R78-E93 PolarHBondContact NE-OE1 3.14Å; R78-E93 IonicContact NH2-OE1 3.92Å; R78-E93 PolarHBondContact NH2-OE1 3.07Å; R78-E93 IonicContact NH2-OE2 3.13Å
79N70.6Confident67.8Low115 Ų11561.4 Ų61.462%0.61531%0.311SS*.G310 helixtrans-72.8-12.2178.8-59.4-12.8000112.2Y76 W77Y76-N79 VanDerWaalsContact O-CB 3.31Å; Y76-N79 WeakPolarHBondContact O-CB 3.35Å; Y76-N79 PolarHBondContact O-N 2.96Å; W77-N79 PolarHBondContact O-N 3.28Å
80Y61.5Low66.5Low39 Ų3962.1 Ų62.115%0.15331%0.314CS..G310 helixtrans-105.9-5.4-179-56.7-82.7000113R18 F50 W65 V67 Y76 W77 R78 T84R18-Y80 VanDerWaalsContact CZ-O 3.31Å; R18-Y80 PolarHBondContact NH1-O 2.57Å; R18-Y80 PolarHBondContact NH2-O 2.98Å; F50-Y80 HydrophobicContact CB-CE1 4.4Å; F50-Y80 AromaticContact CD1-CE1 3.76Å; F50-Y80 HydrophobicContact CD1-CE1 3.76Å; F50-Y80 AromaticContact CD1-CZ 3.68Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.45Å; F50-Y80 HydrophobicContact CD2-CE1 4.33Å; F50-Y80 HydrophobicContact CE1-CE1 4.08Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.18Å; F50-Y80 AromaticContact CG-CE1 3.89Å; F50-Y80 HydrophobicContact CG-CE1 3.89Å; W65-Y80 AromaticContact CE3-CD1 3.83Å; W65-Y80 HydrophobicContact CE3-CD1 3.83Å; W65-Y80 HydrophobicContact CE3-CE1 4.23Å; W65-Y80 HydrophobicContact CZ3-CD1 4.09Å; W65-Y80 HydrophobicContact CZ3-CE1 4.25Å; V67-Y80 HydrophobicContact CG1-CD2 4.26Å; V67-Y80 HydrophobicContact CG1-CE2 4.11Å; V67-Y80 HydrophobicContact CG2-CD2 3.92Å; V67-Y80 HydrophobicContact CG2-CE2 4.3Å; V67-Y80 HydrophobicContact CG2-CG 4.06Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.49Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.24Å; W77-Y80 PolarHBondContact O-N 2.61Å; R78-Y80 PolarHBondContact O-N 3.1Å; Y80-T84 PolarHBondContact O-OG1 3.24Å
81S57.2Low64.8Low41 Ų4163 Ų6329%0.28732%0.319SS..  trans-76.3-29.9-174.158.50000113.8R78 G83 T84R78-S81 PolarHBondContact O-N 2.92Å; R78-S81 PolarHBondContact O-OG 3.32Å; S81-G83 PolarHBondContact O-N 2.79Å; S81-T84 VanDerWaalsContact C-OG1 3.29Å; S81-T84 WeakPolarHBondContact CA-OG1 3.23Å; S81-T84 WeakPolarHBondContact O-CB 3.43Å; S81-T84 PolarHBondContact O-N 2.79Å; S81-T84 VanDerWaalsContact O-N 3.09Å; S81-T84 PolarHBondContact O-OG1 3.3Å
82E60.2Low62.8Low178 Ų17861.2 Ų61.283%0.83231%0.314SS*.THydrogen-bonded Turntrans-60.8127.2-178.2-169.4174.8-174.700111.8R18 T84R18-E82 PolarHBondContact NH1-O 2.82Å; E82-T84 VanDerWaalsContact C-N 3.28Å; E82-T84 PolarHBondContact O-N 2.81Å
83G51.5Low61.3Low56 Ų5655.8 Ų55.858%0.57729%0.287SS*.THydrogen-bonded Turntrans71.316.6-177.200000115R18 S81R18-G83 WeakPolarHBondContact CD-O 3.45Å; S81-G83 PolarHBondContact O-N 2.79Å
84T54.5Low59.9Low11 Ų1163.6 Ų63.67%0.06732%0.323CS..  trans-82.6126.2175-55.50000110.7R18 L20 Y80 S81 E82 C86 V87 S99R18-T84 PolarHBondContact NH1-OG1 3.05Å; L20-T84 HydrophobicContact CB-CG2 3.5Å; L20-T84 VanDerWaalsContact CB-CG2 3.5Å; Y80-T84 PolarHBondContact O-OG1 3.24Å; S81-T84 VanDerWaalsContact C-OG1 3.29Å; S81-T84 WeakPolarHBondContact CA-OG1 3.23Å; S81-T84 WeakPolarHBondContact O-CB 3.43Å; S81-T84 PolarHBondContact O-N 2.79Å; S81-T84 VanDerWaalsContact O-N 3.09Å; S81-T84 PolarHBondContact O-OG1 3.3Å; E82-T84 VanDerWaalsContact C-N 3.28Å; E82-T84 PolarHBondContact O-N 2.81Å; T84-C86 WeakPolarHBondContact CG2-O 2.97Å; T84-V87 HydrophobicContact CG2-CG2 3.9Å; T84-S99 PolarHBondContact O-OG 2.84Å
85H45.9Very low58.5Low58 Ų5868.5 Ų68.527%0.26934%0.341SS..SBendtrans-83.8-30.7176.7-60.193000111.8R18 T100 I157R18-H85 PolarHBondContact N-ND1 2.82Å; R18-H85 PolarHBondContact O-N 2.86Å; H85-T100 PolarHBondContact O-N 3.29Å; H85-I157 HydrophobicContact CB-CG2 4.08Å
86C49.7Very low57.6Low0 Ų065.9 Ų65.90%032%0.321CS..EExtended strand (participates in β ladder)trans-144.5146.4177.4150.80000113.2R18 I19 L20 T84 T100 L153 I157R18-C86 PolarHBondContact O-N 2.74Å; I19-C86 CarbonylContact C-O 3.55Å; I19-C86 WeakPolarHBondContact CA-O 3.29Å; I19-C86 HydrophobicContact CG1-CB 4.33Å; L20-C86 PolarHBondContact N-O 2.78Å; T84-C86 WeakPolarHBondContact CG2-O 2.97Å; C86-T100 VanDerWaalsContact CA-O 3.25Å; C86-T100 WeakPolarHBondContact CA-O 3.26Å; C86-L153 HydrophobicContact CB-CD1 3.67Å; C86-L153 HydrophobicContact CB-CD2 4.31Å; C86-L153 HydrophobicContact CB-CG 4.25Å; C86-L153 WeakPolarHBondContact SG-CD1 3.27Å; C86-L153 WeakPolarHBondContact SG-CD2 2.97Å; C86-I157 HydrophobicContact CB-CD1 3.45Å; C86-I157 VanDerWaalsContact CB-CD1 3.45Å; C86-I157 HydrophobicContact CB-CG1 4.17Å
87V58.3Low56.6Low0 Ų066.7 Ų66.70%033%0.333CS..EExtended strand (participates in β ladder)trans-112.5119.7165.2-174.70000111.9L20 V22 T84 W89 L96 T100 L101 A102L20-V87 HydrophobicContact CB-CG2 4.2Å; L20-V87 HydrophobicContact CD2-CG2 4.25Å; L20-V87 CarbonylContact O-C 3.57Å; L20-V87 VanDerWaalsContact O-CA 3.26Å; L20-V87 WeakPolarHBondContact O-CA 3.3Å; V22-V87 HydrophobicContact CG2-CG1 3.41Å; V22-V87 VanDerWaalsContact CG2-CG1 3.41Å; T84-V87 HydrophobicContact CG2-CG2 3.9Å; V87-W89 HydrophobicContact CB-CE3 4.45Å; V87-W89 HydrophobicContact CG1-CB 4.43Å; V87-W89 HydrophobicContact CG1-CE3 4.01Å; V87-W89 PolarHBondContact O-N 3.17Å; V87-L96 HydrophobicContact CB-CD1 3.73Å; V87-L96 HydrophobicContact CG1-CD1 3.84Å; V87-L96 HydrophobicContact CG2-CD1 3.32Å; V87-L96 HydrophobicContact CG2-CD2 3.55Å; V87-L96 HydrophobicContact CG2-CG 3.97Å; V87-T100 PolarHBondContact N-O 2.75Å; V87-L101 HydrophobicContact CB-CD2 4Å; V87-A102 PolarHBondContact O-N 3.26Å
88I61.6Low56.1Low3 Ų371.1 Ų71.12%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-82.2110.3164.6-64.4-179.9000107.1I19 L20 V21 V22 A102 L104 I150 L153I19-I88 HydrophobicContact CG2-CD1 3.87Å; I19-I88 HydrophobicContact CG2-CG1 3.94Å; L20-I88 PolarHBondContact O-N 2.78Å; V21-I88 HydrophobicContact CB-CB 4.36Å; V21-I88 HydrophobicContact CG1-CB 4.14Å; V21-I88 HydrophobicContact CG1-CG2 4.05Å; V21-I88 HydrophobicContact CG2-CB 4.06Å; V21-I88 HydrophobicContact CG2-CD1 4.11Å; V21-I88 HydrophobicContact CG2-CG1 4.44Å; V22-I88 PolarHBondContact N-O 3.04Å; V22-I88 VanDerWaalsContact O-O 3.13Å; I88-A102 CarbonylContact C-O 3.58Å; I88-A102 VanDerWaalsContact CA-O 3.27Å; I88-A102 WeakPolarHBondContact CA-O 3.49Å; I88-A102 HydrophobicContact CG1-CB 4.31Å; I88-L104 HydrophobicContact CG2-CB 4.47Å; I88-L104 HydrophobicContact CG2-CD1 3.58Å; I88-L104 HydrophobicContact CG2-CG 3.84Å; I88-I150 HydrophobicContact CD1-CD1 3.85Å; I88-L153 HydrophobicContact CD1-CD2 4.19Å; I88-L153 HydrophobicContact CG1-CD2 4.16Å
89W66.8Low56.5Low25 Ų2566.2 Ų66.210%0.09535%0.349CS..EExtended strand (participates in β ladder)trans-108.6118.7-162.5-169.2-71.8000110.8V87 L91 E93 L96 L101 A102 I103V87-W89 HydrophobicContact CB-CE3 4.45Å; V87-W89 HydrophobicContact CG1-CB 4.43Å; V87-W89 HydrophobicContact CG1-CE3 4.01Å; V87-W89 PolarHBondContact O-N 3.17Å; W89-L91 VanDerWaalsContact CD1-C 3.5Å; W89-L91 VanDerWaalsContact NE1-CA 3.26Å; W89-L91 PolarHBondContact NE1-O 3.38Å; W89-E93 VanDerWaalsContact CH2-N 3.35Å; W89-E93 WeakPolarHBondContact CH2-O 3.27Å; W89-E93 WeakPolarHBondContact CZ3-O 3.25Å; W89-L96 HydrophobicContact CE3-CD1 3.77Å; W89-L96 HydrophobicContact CH2-CD1 4.45Å; W89-L96 HydrophobicContact CZ3-CD1 3.4Å; W89-L101 HydrophobicContact CE3-CD2 3.94Å; W89-L101 HydrophobicContact CZ3-CD1 4.22Å; W89-L101 HydrophobicContact CZ3-CD2 3.93Å; W89-A102 PolarHBondContact N-O 3Å; W89-I103 HydrophobicContact CB-CG1 4.31Å
90L57.7Low57.2Low19 Ų1961.2 Ų61.210%0.09932%0.323CS..EExtended strand (participates in β ladder)trans-114.738.9168.7-68.9152.8000111.1V22 G23 L24 A27 K29 L104 N106V22-L90 WeakPolarHBondContact O-CB 3.39Å; V22-L90 PolarHBondContact O-N 3.07Å; G23-L90 VanDerWaalsContact CA-O 3.28Å; G23-L90 WeakPolarHBondContact CA-O 2.96Å; L24-L90 PolarHBondContact N-O 3.07Å; A27-L90 HydrophobicContact CB-CB 3.86Å; A27-L90 HydrophobicContact CB-CD1 3.81Å; A27-L90 HydrophobicContact CB-CD2 4.16Å; A27-L90 HydrophobicContact CB-CG 4.18Å; K29-L90 HydrophobicContact CB-CD1 4.5Å; K29-L90 HydrophobicContact CD-CD1 4.29Å; K29-L90 HydrophobicContact CG-CD1 3.38Å; L90-L104 WeakPolarHBondContact CD2-O 3.27Å; L90-N106 HydrophobicContact CD2-CB 4.28Å
91L46.9Very low58.4Low68 Ų6859.6 Ų59.636%0.35632%0.317SS..SBendtrans128.7163163.2-62.2159.5000115L24 W89 L123L24-L91 HydrophobicContact CD1-CD1 3.2Å; L24-L91 HydrophobicContact CD2-CB 4.48Å; L24-L91 HydrophobicContact CD2-CD1 4.38Å; L24-L91 HydrophobicContact CG-CB 4.22Å; L24-L91 HydrophobicContact CG-CD1 3.48Å; L24-L91 VanDerWaalsContact CG-CD1 3.48Å; L24-L91 HydrophobicContact CG-CG 4.41Å; W89-L91 VanDerWaalsContact CD1-C 3.5Å; W89-L91 VanDerWaalsContact NE1-CA 3.26Å; W89-L91 PolarHBondContact NE1-O 3.38Å; L91-L123 HydrophobicContact CD2-CD1 4.14Å; L91-L123 HydrophobicContact CD2-CD2 3.29Å; L91-L123 HydrophobicContact CD2-CG 3.87Å; L91-L123 HydrophobicContact CG-CD2 4.44Å
92T39.5Very low60Low93 Ų9357.7 Ų57.757%0.57130%0.303SS*.  trans-60.3118.1-143.654.80000120.7L123T92-L123 HydrophobicContact CG2-CD2 3.48Å; T92-L123 VanDerWaalsContact CG2-CD2 3.48Å
93E49.7Very low61.4Low37 Ų3749.5 Ų49.517%0.17327%0.265CS..  trans-135.2113.2161.8-171.573.5-142.500112.7R78 W89 R95R78-E93 IonicContact CZ-OE1 3.49Å; R78-E93 IonicContact NE-OE1 3.61Å; R78-E93 PolarHBondContact NE-OE1 3.14Å; R78-E93 IonicContact NH2-OE1 3.92Å; R78-E93 PolarHBondContact NH2-OE1 3.07Å; R78-E93 IonicContact NH2-OE2 3.13Å; W89-E93 VanDerWaalsContact CH2-N 3.35Å; W89-E93 WeakPolarHBondContact CH2-O 3.27Å; W89-E93 WeakPolarHBondContact CZ3-O 3.25Å; E93-R95 PolarHBondContact O-N 2.89Å
94E49.6Very low63.3Low193 Ų19346.9 Ų46.990%0.90224%0.238SC*.THydrogen-bonded Turntrans-69.32.4-168-61.4178.9161.400116.9
95R50.6Low65Low171 Ų17146.6 Ų46.665%0.64524%0.237SC*.THydrogen-bonded Turntrans-11316.9-162.6-64.3-171.9-177.2-173.60.9117E93 I97E93-R95 PolarHBondContact O-N 2.89Å; R95-I97 PolarHBondContact O-N 3.23Å
96L57.5Low67.1Low19 Ų1945 Ų4510%0.09923%0.231CC..  trans-93.978.4-177.9-67.9158000110.5V87 W89 L101 N131V87-L96 HydrophobicContact CB-CD1 3.73Å; V87-L96 HydrophobicContact CG1-CD1 3.84Å; V87-L96 HydrophobicContact CG2-CD1 3.32Å; V87-L96 HydrophobicContact CG2-CD2 3.55Å; V87-L96 HydrophobicContact CG2-CG 3.97Å; W89-L96 HydrophobicContact CE3-CD1 3.77Å; W89-L96 HydrophobicContact CH2-CD1 4.45Å; W89-L96 HydrophobicContact CZ3-CD1 3.4Å; L96-L101 HydrophobicContact CB-CD2 4.34Å; L96-L101 HydrophobicContact CD1-CD2 4.26Å; L96-N131 PolarHBondContact O-ND2 3.3Å; L96-N131 PolarHBondContact O-OD1 3.23Å
97I55.7Low69Low145 Ų14548.2 Ų48.274%0.74424%0.244SC*.THydrogen-bonded Turntrans-71.7127.8178-59.1173.1000109.1R95 S99R95-I97 PolarHBondContact O-N 3.23Å; I97-S99 PolarHBondContact O-N 2.98Å
98S65.8Low70.6Confident107 Ų10751.3 Ų51.375%0.74826%0.259SS*.THydrogen-bonded Turntrans65.224.2172.2-56.40000117.5N131S98-N131 PolarHBondContact N-ND2 2.96Å
99S76.4Confident71.9Confident12 Ų1254.2 Ų54.28%0.08427%0.274CS..  trans-102.7153.3170.4-52.80000112.3T84 I97 N131T84-S99 PolarHBondContact O-OG 2.84Å; I97-S99 PolarHBondContact O-N 2.98Å; S99-N131 PolarHBondContact N-ND2 3.24Å; S99-N131 VanDerWaalsContact N-ND2 3.14Å; S99-N131 PolarHBondContact O-ND2 3.23Å
100T85.1Confident72.8Confident10 Ų1056.8 Ų56.86%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-72.1135.6165.6-55.90000110H85 C86 V87 W152 L153 D156H85-T100 PolarHBondContact O-N 3.29Å; C86-T100 VanDerWaalsContact CA-O 3.25Å; C86-T100 WeakPolarHBondContact CA-O 3.26Å; V87-T100 PolarHBondContact N-O 2.75Å; T100-W152 HydrophobicContact CG2-CH2 3.62Å; T100-W152 HydrophobicContact CG2-CZ3 3.68Å; T100-L153 HydrophobicContact CG2-CD1 3.6Å; T100-D156 WeakPolarHBondContact CB-OD2 3.3Å; T100-D156 HydrophobicContact CG2-CB 4.06Å; T100-D156 WeakPolarHBondContact CG2-OD2 3.34Å; T100-D156 PolarHBondContact OG1-OD2 3.01Å
101L87.1Confident74.2Confident5 Ų560.4 Ų60.43%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-113.7111.4-179.4-57.4178.6000110.8V87 W89 L96 I103 I128 N131 H132 W133 L134V87-L101 HydrophobicContact CB-CD2 4Å; W89-L101 HydrophobicContact CE3-CD2 3.94Å; W89-L101 HydrophobicContact CZ3-CD1 4.22Å; W89-L101 HydrophobicContact CZ3-CD2 3.93Å; L96-L101 HydrophobicContact CB-CD2 4.34Å; L96-L101 HydrophobicContact CD1-CD2 4.26Å; L101-I103 HydrophobicContact CB-CD1 4.41Å; L101-I128 HydrophobicContact CD1-CD1 4.39Å; L101-I128 HydrophobicContact CD1-CG2 4.28Å; L101-N131 HydrophobicContact CD1-CB 3.9Å; L101-N131 HydrophobicContact CG-CB 4.19Å; L101-H132 PolarHBondContact N-O 3.17Å; L101-W133 HydrophobicContact CB-CB 3.9Å; L101-W133 CarbonylContact O-C 3.51Å; L101-W133 WeakPolarHBondContact O-CA 2.95Å; L101-L134 PolarHBondContact O-N 2.88Å
102A89.1Confident76Confident1 Ų163.5 Ų63.51%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-99.9112.5170.500000109.8V87 I88 W89 W152 L153V87-A102 PolarHBondContact O-N 3.26Å; I88-A102 CarbonylContact C-O 3.58Å; I88-A102 VanDerWaalsContact CA-O 3.27Å; I88-A102 WeakPolarHBondContact CA-O 3.49Å; I88-A102 HydrophobicContact CG1-CB 4.31Å; W89-A102 PolarHBondContact N-O 3Å; A102-W152 HydrophobicContact CB-CZ3 4.18Å; A102-L153 HydrophobicContact CB-CD1 3.77Å; A102-L153 HydrophobicContact CB-CD2 4.47Å; A102-L153 HydrophobicContact CB-CG 4.47Å
103I90.1Very high78.2Confident6 Ų660.8 Ų60.83%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-92.5109.4174.1-5786.9000107.6W89 L101 A105 L123 L125 W133 L134 C135 F136W89-I103 HydrophobicContact CB-CG1 4.31Å; L101-I103 HydrophobicContact CB-CD1 4.41Å; I103-A105 PolarHBondContact O-N 3.27Å; I103-L123 HydrophobicContact CG2-CD1 4.04Å; I103-L125 HydrophobicContact CD1-CD2 4.2Å; I103-L125 HydrophobicContact CG1-CD2 4.26Å; I103-W133 HydrophobicContact CD1-CB 4.13Å; I103-W133 HydrophobicContact CD1-CE3 4.25Å; I103-L134 WeakPolarHBondContact CD1-O 3.27Å; I103-L134 PolarHBondContact N-O 3.32Å; I103-C135 HydrophobicContact CB-CB 4.14Å; I103-C135 CarbonylContact O-C 3.53Å; I103-C135 WeakPolarHBondContact O-CA 3.49Å; I103-F136 PolarHBondContact O-N 2.78Å
104L91Very high79.9Confident2 Ų262.7 Ų62.71%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-91.3102.2175.3-65.1-175.8000109.1I32 I88 L90 N106 F136 L146I32-L104 HydrophobicContact CD1-CD1 4.03Å; I32-L104 HydrophobicContact CG2-CD1 4.16Å; I88-L104 HydrophobicContact CG2-CB 4.47Å; I88-L104 HydrophobicContact CG2-CD1 3.58Å; I88-L104 HydrophobicContact CG2-CG 3.84Å; L90-L104 WeakPolarHBondContact CD2-O 3.27Å; L104-N106 PolarHBondContact O-N 3.22Å; L104-F136 HydrophobicContact CD2-CB 4.18Å; L104-L146 HydrophobicContact CD1-CD1 3.82Å
105A90Very high81.7Confident5 Ų555.7 Ų55.74%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-73.579.4170.100000109I103 Q108 I116 I119 F136 C138I103-A105 PolarHBondContact O-N 3.27Å; A105-Q108 WeakPolarHBondContact O-CG 3.44Å; A105-I116 HydrophobicContact CB-CD1 3.22Å; A105-I119 HydrophobicContact CB-CD1 3.43Å; A105-I119 VanDerWaalsContact CB-CD1 3.43Å; A105-F136 WeakPolarHBondContact CB-O 3.17Å; A105-F136 PolarHBondContact N-O 3.34Å; A105-C138 PolarHBondContact O-N 2.97Å
106N91.3Very high83.6Confident25 Ų2549.4 Ų49.413%0.13430%0.3CS..  trans-72.5164.8-173.9-170.129.3000112.7A27 I32 L90 L104 C138 G140A27-N106 PolarHBondContact O-ND2 3.29Å; I32-N106 HydrophobicContact CD1-CB 4.08Å; L90-N106 HydrophobicContact CD2-CB 4.28Å; L104-N106 PolarHBondContact O-N 3.22Å; N106-C138 CarbonylContact C-O 3.58Å; N106-C138 VanDerWaalsContact CA-O 3.3Å; N106-C138 WeakPolarHBondContact CA-O 3.3Å; N106-G140 PolarHBondContact OD1-N 2.9Å
107K89.7Confident85.2Confident66 Ų6655.2 Ų55.229%0.28733%0.327SS..  trans68.631176.8-45.7-172.6-174.6-175.30114.3N26 D109 L110 A113 C138N26-K107 VanDerWaalsContact O-CE 3.27Å; N26-K107 WeakPolarHBondContact O-CE 3.3Å; N26-K107 PolarHBondContact O-NZ 2.96Å; K107-D109 WeakPolarHBondContact CA-OD1 3.11Å; K107-D109 PolarHBondContact O-N 3.15Å; K107-L110 HydrophobicContact CB-CD1 3.84Å; K107-L110 HydrophobicContact CB-CG 4.14Å; K107-L110 HydrophobicContact CD-CD1 4.02Å; K107-L110 PolarHBondContact O-N 3.09Å; K107-L110 VanDerWaalsContact O-N 3.13Å; K107-A113 WeakPolarHBondContact O-CB 3.45Å; K107-C138 PolarHBondContact N-O 3.36Å
108Q91Very high86.6Confident65 Ų6552.1 Ų52.130%0.30432%0.315SS..THydrogen-bonded Turntrans-70.4-5.3176.9-62.5-70.4-56.400113.4A105 L110 V114 P137 C138A105-Q108 WeakPolarHBondContact O-CG 3.44Å; Q108-L110 VanDerWaalsContact C-N 3.27Å; Q108-V114 PolarHBondContact NE2-O 3.31Å; Q108-P137 HydrophobicContact CG-CB 3.78Å; Q108-C138 PolarHBondContact N-O 3.09Å
109D88.4Confident87.6Confident64 Ų6448.5 Ų48.534%0.34229%0.287SS..THydrogen-bonded Turntrans-73.1-16.3168.555-72.8000113.5K107 S139 T142K107-D109 WeakPolarHBondContact CA-OD1 3.11Å; K107-D109 PolarHBondContact O-N 3.15Å; D109-S139 VanDerWaalsContact CG-OG 3.29Å; D109-S139 WeakPolarHBondContact OD1-CB 3.22Å; D109-S139 PolarHBondContact OD1-OG 2.88Å; D109-T142 HydrophobicContact CB-CG2 4.23Å
110L86.7Confident88.1Confident80 Ų8050.1 Ų50.142%0.41929%0.293SS..SBendtrans-85.7139.8179.9-56.5-179000111.3K107 Q108 D112 A113K107-L110 HydrophobicContact CB-CD1 3.84Å; K107-L110 HydrophobicContact CB-CG 4.14Å; K107-L110 HydrophobicContact CD-CD1 4.02Å; K107-L110 PolarHBondContact O-N 3.09Å; K107-L110 VanDerWaalsContact O-N 3.13Å; Q108-L110 VanDerWaalsContact C-N 3.27Å; L110-D112 WeakPolarHBondContact CB-OD1 3.44Å; L110-D112 PolarHBondContact O-N 2.7Å; L110-A113 WeakPolarHBondContact O-CB 3.3Å; L110-A113 PolarHBondContact O-N 2.92Å; L110-A113 VanDerWaalsContact O-N 3.08Å
111G86.5Confident88.2Confident94 Ų9452.8 Ų52.897%0.96932%0.316SS*.THydrogen-bonded Turntrans-65.7-19.1179.900000114.6
112D85.8Confident87.9Confident134 Ų13456.2 Ų56.272%0.71735%0.345SS*.THydrogen-bonded Turntrans-101.714.817666.3-22.7000113L110 V114L110-D112 WeakPolarHBondContact CB-OD1 3.44Å; L110-D112 PolarHBondContact O-N 2.7Å; D112-V114 PolarHBondContact O-N 3.24Å
113A85.3Confident87.7Confident35 Ų3557.2 Ų57.229%0.28935%0.35SS..PPolyproline II helixtrans-59.1133.7179.100000111.9K107 L110 S115K107-A113 WeakPolarHBondContact O-CB 3.45Å; L110-A113 WeakPolarHBondContact O-CB 3.3Å; L110-A113 PolarHBondContact O-N 2.92Å; L110-A113 VanDerWaalsContact O-N 3.08Å; A113-S115 PolarHBondContact O-N 3.15Å
114V84.5Confident87.5Confident78 Ų7861.8 Ų61.847%0.47337%0.371SS..PPolyproline II helixtrans-67.7131.5177.7-1760000109.4Q108 D112 T118 I119Q108-V114 PolarHBondContact NE2-O 3.31Å; D112-V114 PolarHBondContact O-N 3.24Å; V114-T118 HydrophobicContact CG1-CG2 3.6Å; V114-I119 HydrophobicContact CB-CD1 4.35Å; V114-I119 HydrophobicContact CB-CG1 4.19Å; V114-I119 HydrophobicContact CG1-CD1 4.43Å; V114-I119 HydrophobicContact CG1-CG1 3.77Å
115S89.3Confident87.3Confident45 Ų4561.9 Ų61.932%0.31537%0.372SS..PPolyproline II helixtrans-61.6150.9177.6810000112.1A113 Q117 T118 I119A113-S115 PolarHBondContact O-N 3.15Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-T118 PolarHBondContact O-N 3.12Å; S115-T118 VanDerWaalsContact O-N 3.13Å; S115-T118 WeakPolarHBondContact OG-CB 3.45Å; S115-T118 PolarHBondContact OG-N 3.48Å; S115-T118 VanDerWaalsContact OG-N 3.1Å; S115-T118 PolarHBondContact OG-OG1 3.09Å; S115-I119 PolarHBondContact O-N 2.99Å
116I90.5Very high87.2Confident39 Ų3966.6 Ų66.620%0.240%0.396CS..Hα-helixtrans-58.9-37.4176.3-61.3-49.7000111.6A105 T118 I119 H120 P137A105-I116 HydrophobicContact CB-CD1 3.22Å; I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 PolarHBondContact O-N 3.44Å; I116-I119 HydrophobicContact CD1-CD1 4.41Å; I116-I119 PolarHBondContact O-N 2.78Å; I116-H120 WeakPolarHBondContact O-CB 3.39Å; I116-H120 PolarHBondContact O-N 3.38Å; I116-P137 HydrophobicContact CD1-CB 3.77Å; I116-P137 HydrophobicContact CD1-CG 4.33Å; I116-P137 HydrophobicContact CG1-CB 3.97Å; I116-P137 HydrophobicContact CG1-CG 4.16Å
117Q90.9Very high87Confident142 Ų14272.1 Ų72.166%0.66442%0.419SS*.Hα-helixtrans-63.3-42178.2-64.177.68.900111.3S115 H120 A121S115-Q117 PolarHBondContact O-N 3.23Å; Q117-H120 PolarHBondContact O-N 3.13Å; Q117-A121 WeakPolarHBondContact O-CB 3.41Å; Q117-A121 PolarHBondContact O-N 3.09Å
118T85.4Confident86.7Confident80 Ų8070.8 Ų70.849%0.49142%0.415SS..Hα-helixtrans-65.9-43.7176.1-54.70000111.4V114 S115 I116 H120 A121 A122V114-T118 HydrophobicContact CG1-CG2 3.6Å; S115-T118 PolarHBondContact O-N 3.12Å; S115-T118 VanDerWaalsContact O-N 3.13Å; S115-T118 WeakPolarHBondContact OG-CB 3.45Å; S115-T118 PolarHBondContact OG-N 3.48Å; S115-T118 VanDerWaalsContact OG-N 3.1Å; S115-T118 PolarHBondContact OG-OG1 3.09Å; I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 PolarHBondContact O-N 3.44Å; T118-H120 VanDerWaalsContact C-N 3.34Å; T118-A121 PolarHBondContact O-N 2.89Å; T118-A122 VanDerWaalsContact O-CB 3.25Å; T118-A122 WeakPolarHBondContact O-CB 3.49Å; T118-A122 PolarHBondContact O-N 2.86Å
119I85.7Confident86.3Confident31 Ų3176.6 Ų76.616%0.15943%0.434CS..Hα-helixtrans-61.2-46.2176.3-67.6169.7000110.3A105 V114 S115 I116 A121 A122 L123A105-I119 HydrophobicContact CB-CD1 3.43Å; A105-I119 VanDerWaalsContact CB-CD1 3.43Å; V114-I119 HydrophobicContact CB-CD1 4.35Å; V114-I119 HydrophobicContact CB-CG1 4.19Å; V114-I119 HydrophobicContact CG1-CD1 4.43Å; V114-I119 HydrophobicContact CG1-CG1 3.77Å; S115-I119 PolarHBondContact O-N 2.99Å; I116-I119 HydrophobicContact CD1-CD1 4.41Å; I116-I119 PolarHBondContact O-N 2.78Å; I119-A121 PolarHBondContact O-N 3.44Å; I119-A122 PolarHBondContact O-N 2.58Å; I119-L123 HydrophobicContact CG2-CD1 3.78Å; I119-L123 HydrophobicContact CG2-CG 4.42Å; I119-L123 VanDerWaalsContact O-CB 3.3Å; I119-L123 WeakPolarHBondContact O-CB 3.07Å; I119-L123 PolarHBondContact O-N 3.11Å
120H87.4Confident85.8Confident46 Ų4677.1 Ų77.121%0.21345%0.454CS..Hα-helixtrans-57.8-46.8179.5-175.1-85.3000112.1I116 Q117 T118 Q124 L125 D126 W133I116-H120 WeakPolarHBondContact O-CB 3.39Å; I116-H120 PolarHBondContact O-N 3.38Å; Q117-H120 PolarHBondContact O-N 3.13Å; T118-H120 VanDerWaalsContact C-N 3.34Å; H120-Q124 PolarHBondContact O-N 3.42Å; H120-L125 HydrophobicContact CB-CD1 4.23Å; H120-L125 PolarHBondContact O-N 2.84Å; H120-L125 VanDerWaalsContact O-N 3.09Å; H120-D126 IonicContact CE1-OD1 3.94Å; H120-D126 PolarHBondContact CE1-OD1 2.96Å; H120-D126 IonicContact CE1-OD2 3.65Å; H120-D126 PolarHBondContact CE1-OD2 3.32Å; H120-D126 IonicContact ND1-OD2 2.87Å; H120-D126 IonicContact NE2-OD1 3.71Å; H120-W133 AromaticContact CD2-CH2 3.7Å; H120-W133 AromaticContact NE2-CH2 3.38Å; H120-W133 WeakPolarHBondContact NE2-CH2 3.49Å
121A86.9Confident85.6Confident66 Ų6674.8 Ų74.855%0.54544%0.442SS..Hα-helixtrans-66.4-46.5176.400000112.3Q117 T118 I119 L123 Q124Q117-A121 WeakPolarHBondContact O-CB 3.41Å; Q117-A121 PolarHBondContact O-N 3.09Å; T118-A121 PolarHBondContact O-N 2.89Å; I119-A121 PolarHBondContact O-N 3.44Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.35Å; A121-Q124 PolarHBondContact O-N 3.37Å; A121-Q124 VanDerWaalsContact O-N 3.1Å
122A81.8Confident85.5Confident77 Ų7774.6 Ų74.664%0.63642%0.416SS*.Hα-helixtrans-63.4-38.2-178.300000112.5T118 I119 Q124T118-A122 VanDerWaalsContact O-CB 3.25Å; T118-A122 WeakPolarHBondContact O-CB 3.49Å; T118-A122 PolarHBondContact O-N 2.86Å; I119-A122 PolarHBondContact O-N 2.58Å; A122-Q124 VanDerWaalsContact C-N 3.31Å
123L83.4Confident85.7Confident22 Ų2271.6 Ų71.612%0.11540%0.395CS..THydrogen-bonded Turntrans-82.9-7.8176.2-75.9179.9000114L91 T92 I103 I119 A121 L125L91-L123 HydrophobicContact CD2-CD1 4.14Å; L91-L123 HydrophobicContact CD2-CD2 3.29Å; L91-L123 HydrophobicContact CD2-CG 3.87Å; L91-L123 HydrophobicContact CG-CD2 4.44Å; T92-L123 HydrophobicContact CG2-CD2 3.48Å; T92-L123 VanDerWaalsContact CG2-CD2 3.48Å; I103-L123 HydrophobicContact CG2-CD1 4.04Å; I119-L123 HydrophobicContact CG2-CD1 3.78Å; I119-L123 HydrophobicContact CG2-CG 4.42Å; I119-L123 VanDerWaalsContact O-CB 3.3Å; I119-L123 WeakPolarHBondContact O-CB 3.07Å; I119-L123 PolarHBondContact O-N 3.11Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.35Å; L123-L125 VanDerWaalsContact C-N 3.25Å; L123-L125 HydrophobicContact CB-CD2 3.59Å; L123-L125 HydrophobicContact CB-CG 3.87Å; L123-L125 HydrophobicContact CD1-CD2 4.07Å; L123-L125 HydrophobicContact CG-CD2 4.48Å; L123-L125 PolarHBondContact O-N 3.45Å
124Q87.4Confident85.9Confident101 Ų10172.6 Ų72.647%0.47240%0.395SS..THydrogen-bonded Turntrans52.245.2-175.8-53-1807.800111.5H120 A121 A122 D126 K127H120-Q124 PolarHBondContact O-N 3.42Å; A121-Q124 PolarHBondContact O-N 3.37Å; A121-Q124 VanDerWaalsContact O-N 3.1Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; Q124-D126 PolarHBondContact O-N 2.87Å; Q124-D126 VanDerWaalsContact O-N 3.14Å; Q124-K127 HydrophobicContact CB-CB 4.39Å; Q124-K127 HydrophobicContact CB-CD 4Å; Q124-K127 HydrophobicContact CB-CG 4.12Å; Q124-K127 WeakPolarHBondContact O-CB 2.99Å; Q124-K127 PolarHBondContact O-N 3.17Å; Q124-K127 VanDerWaalsContact OE1-CD 3.28Å; Q124-K127 VanDerWaalsContact OE1-CE 3.27Å
125L86.4Confident86.2Confident4 Ų469.5 Ų69.52%0.02138%0.376CS..G310 helixtrans-57.9-31.8-175.3-61.1-175.8000112I103 H120 L123 K127 I128 W133 C135I103-L125 HydrophobicContact CD1-CD2 4.2Å; I103-L125 HydrophobicContact CG1-CD2 4.26Å; H120-L125 HydrophobicContact CB-CD1 4.23Å; H120-L125 PolarHBondContact O-N 2.84Å; H120-L125 VanDerWaalsContact O-N 3.09Å; L123-L125 VanDerWaalsContact C-N 3.25Å; L123-L125 HydrophobicContact CB-CD2 3.59Å; L123-L125 HydrophobicContact CB-CG 3.87Å; L123-L125 HydrophobicContact CD1-CD2 4.07Å; L123-L125 HydrophobicContact CG-CD2 4.48Å; L123-L125 PolarHBondContact O-N 3.45Å; L125-K127 PolarHBondContact O-N 3.06Å; L125-I128 HydrophobicContact CB-CD1 4.45Å; L125-I128 HydrophobicContact CD2-CD1 3.63Å; L125-I128 WeakPolarHBondContact O-CB 3.33Å; L125-I128 WeakPolarHBondContact O-CG1 3.49Å; L125-I128 PolarHBondContact O-N 2.84Å; L125-W133 HydrophobicContact CB-CE3 4.34Å; L125-W133 HydrophobicContact CB-CH2 3.86Å; L125-W133 HydrophobicContact CB-CZ2 4.04Å; L125-W133 HydrophobicContact CB-CZ3 4.01Å; L125-W133 HydrophobicContact CD1-CE3 4.11Å; L125-W133 HydrophobicContact CD1-CH2 4.35Å; L125-W133 HydrophobicContact CD1-CZ3 3.75Å; L125-W133 HydrophobicContact CG-CZ3 4.47Å; L125-C135 HydrophobicContact CD1-CB 3.85Å
126D88.4Confident86.2Confident104 Ų10469 Ų6956%0.55637%0.369SS*.G310 helixtrans-58.1-16.1171.7-71-43.5000115H120 Q124 R129H120-D126 IonicContact CE1-OD1 3.94Å; H120-D126 PolarHBondContact CE1-OD1 2.96Å; H120-D126 IonicContact CE1-OD2 3.65Å; H120-D126 PolarHBondContact CE1-OD2 3.32Å; H120-D126 IonicContact ND1-OD2 2.87Å; H120-D126 IonicContact NE2-OD1 3.71Å; Q124-D126 PolarHBondContact O-N 2.87Å; Q124-D126 VanDerWaalsContact O-N 3.14Å; D126-R129 VanDerWaalsContact O-CZ 3.24Å; D126-R129 PolarHBondContact O-NH1 2.75Å; D126-R129 PolarHBondContact O-NH2 2.96Å
127K87.1Confident86.2Confident141 Ų14169.2 Ų69.261%0.61337%0.373SS*.G310 helixtrans-95.8-8.2177.6-60.4-170.2-172.5173.60113Q124 L125 R129Q124-K127 HydrophobicContact CB-CB 4.39Å; Q124-K127 HydrophobicContact CB-CD 4Å; Q124-K127 HydrophobicContact CB-CG 4.12Å; Q124-K127 WeakPolarHBondContact O-CB 2.99Å; Q124-K127 PolarHBondContact O-N 3.17Å; Q124-K127 VanDerWaalsContact OE1-CD 3.28Å; Q124-K127 VanDerWaalsContact OE1-CE 3.27Å; L125-K127 PolarHBondContact O-N 3.06Å; K127-R129 PolarHBondContact O-N 2.81Å
128I82.9Confident86.3Confident39 Ų3962.6 Ų62.620%0.234%0.342CS..  trans-64.9127.2174.1-61.3175.7000108.1L101 L125 N131 W133L101-I128 HydrophobicContact CD1-CD1 4.39Å; L101-I128 HydrophobicContact CD1-CG2 4.28Å; L125-I128 HydrophobicContact CB-CD1 4.45Å; L125-I128 HydrophobicContact CD2-CD1 3.63Å; L125-I128 WeakPolarHBondContact O-CB 3.33Å; L125-I128 WeakPolarHBondContact O-CG1 3.49Å; L125-I128 PolarHBondContact O-N 2.84Å; I128-N131 HydrophobicContact CG2-CB 4.03Å; I128-W133 HydrophobicContact CD1-CG 4.25Å; I128-W133 HydrophobicContact CG2-CG 4.4Å
129R81.4Confident86.5Confident186 Ų18658.9 Ų58.970%0.70232%0.319SS*.  trans-132.3142.1179.5-63.7-70.5176.6-87.9-3.6108.3D126 K127 N131D126-R129 VanDerWaalsContact O-CZ 3.24Å; D126-R129 PolarHBondContact O-NH1 2.75Å; D126-R129 PolarHBondContact O-NH2 2.96Å; K127-R129 PolarHBondContact O-N 2.81Å; R129-N131 VanDerWaalsContact C-N 3.25Å; R129-N131 PolarHBondContact O-N 2.78Å
130G79.4Confident86.6Confident75 Ų7557.5 Ų57.577%0.77331%0.313SS*.SBendtrans81.1-7.8176.200000115.8
131N81.1Confident86.6Confident31 Ų3160.1 Ų60.117%0.16633%0.328CS..SBendtrans-118.1141.4174.6-6492.2000110.4L96 S98 S99 L101 I128 R129L96-N131 PolarHBondContact O-ND2 3.3Å; L96-N131 PolarHBondContact O-OD1 3.23Å; S98-N131 PolarHBondContact N-ND2 2.96Å; S99-N131 PolarHBondContact N-ND2 3.24Å; S99-N131 VanDerWaalsContact N-ND2 3.14Å; S99-N131 PolarHBondContact O-ND2 3.23Å; L101-N131 HydrophobicContact CD1-CB 3.9Å; L101-N131 HydrophobicContact CG-CB 4.19Å; I128-N131 HydrophobicContact CG2-CB 4.03Å; R129-N131 VanDerWaalsContact C-N 3.25Å; R129-N131 PolarHBondContact O-N 2.78Å
132H85.9Confident86.7Confident90 Ų9059.9 Ų59.942%0.41732%0.32SS..  trans-73.8137.9164.3-67.4-168.4000108.4L101 D156 H160L101-H132 PolarHBondContact N-O 3.17Å; H132-D156 WeakPolarHBondContact CB-OD2 3.48Å; H132-D156 IonicContact CE1-OD1 3.26Å; H132-D156 IonicContact CG-OD1 3.1Å; H132-D156 IonicContact CG-OD2 2.88Å; H132-D156 IonicContact ND1-OD1 3.67Å; H132-D156 PolarHBondContact ND1-OD1 3.41Å; H132-D156 IonicContact ND1-OD2 2.9Å; H132-H160 AromaticContact CE1-CD2 3.42Å; H132-H160 PolarHBondContact CE1-CD2 2.89Å; H132-H160 VanDerWaalsContact CE1-CD2 3.42Å; H132-H160 AromaticContact CE1-CE1 3.61Å; H132-H160 AromaticContact CE1-NE2 3.11Å; H132-H160 PolarHBondContact CE1-NE2 3.43Å; H132-H160 AromaticContact ND1-CD2 3.37Å; H132-H160 PolarHBondContact ND1-CD2 3.31Å; H132-H160 AromaticContact ND1-NE2 3.35Å; H132-H160 PolarHBondContact ND1-NE2 3.44Å
133W88.9Confident87Confident72 Ų7259.4 Ų59.427%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-146.6151.7179.567.7-92.6000111.7L101 I103 H120 L125 I128 C135L101-W133 HydrophobicContact CB-CB 3.9Å; L101-W133 CarbonylContact O-C 3.51Å; L101-W133 WeakPolarHBondContact O-CA 2.95Å; I103-W133 HydrophobicContact CD1-CB 4.13Å; I103-W133 HydrophobicContact CD1-CE3 4.25Å; H120-W133 AromaticContact CD2-CH2 3.7Å; H120-W133 AromaticContact NE2-CH2 3.38Å; H120-W133 WeakPolarHBondContact NE2-CH2 3.49Å; L125-W133 HydrophobicContact CB-CE3 4.34Å; L125-W133 HydrophobicContact CB-CH2 3.86Å; L125-W133 HydrophobicContact CB-CZ2 4.04Å; L125-W133 HydrophobicContact CB-CZ3 4.01Å; L125-W133 HydrophobicContact CD1-CE3 4.11Å; L125-W133 HydrophobicContact CD1-CH2 4.35Å; L125-W133 HydrophobicContact CD1-CZ3 3.75Å; L125-W133 HydrophobicContact CG-CZ3 4.47Å; I128-W133 HydrophobicContact CD1-CG 4.25Å; I128-W133 HydrophobicContact CG2-CG 4.4Å; W133-C135 HydrophobicContact CZ3-CB 4.33Å
134L89.5Confident87.4Confident55 Ų5562.9 Ų62.929%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-145.8141.4168.1-171.551.8000110.5L101 I103 F136 W152L101-L134 PolarHBondContact O-N 2.88Å; I103-L134 WeakPolarHBondContact CD1-O 3.27Å; I103-L134 PolarHBondContact N-O 3.32Å; L134-F136 HydrophobicContact CB-CD2 4.19Å; L134-F136 HydrophobicContact CB-CE2 3.74Å; L134-F136 HydrophobicContact CB-CZ 4.49Å; L134-F136 HydrophobicContact CD2-CD2 4.07Å; L134-F136 HydrophobicContact CD2-CE1 3.87Å; L134-F136 HydrophobicContact CD2-CE2 3.14Å; L134-F136 HydrophobicContact CD2-CZ 3.01Å; L134-F136 HydrophobicContact CG-CD2 3.75Å; L134-F136 HydrophobicContact CG-CE1 4.36Å; L134-F136 HydrophobicContact CG-CE2 3.28Å; L134-F136 HydrophobicContact CG-CG 4.49Å; L134-F136 HydrophobicContact CG-CZ 3.65Å; L134-W152 HydrophobicContact CB-CD2 3.81Å; L134-W152 HydrophobicContact CB-CE3 3.86Å; L134-W152 HydrophobicContact CB-CH2 3.54Å; L134-W152 HydrophobicContact CB-CZ2 3.45Å; L134-W152 VanDerWaalsContact CB-CZ2 3.45Å; L134-W152 HydrophobicContact CB-CZ3 3.73Å; L134-W152 HydrophobicContact CD2-CB 4.46Å; L134-W152 VanDerWaalsContact CD2-CD1 3.49Å; L134-W152 HydrophobicContact CD2-CD2 3.63Å; L134-W152 HydrophobicContact CD2-CE3 4.37Å; L134-W152 HydrophobicContact CD2-CG 3.6Å; L134-W152 HydrophobicContact CD2-CZ2 4.29Å; L134-W152 HydrophobicContact CG-CD2 4.33Å
135C89.9Confident87.6Confident13 Ų1361.5 Ų61.59%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-107.4118.5175.7-172.10000109.8I103 L125 W133I103-C135 HydrophobicContact CB-CB 4.14Å; I103-C135 CarbonylContact O-C 3.53Å; I103-C135 WeakPolarHBondContact O-CA 3.49Å; L125-C135 HydrophobicContact CD1-CB 3.85Å; W133-C135 HydrophobicContact CZ3-CB 4.33Å
136F89.7Confident87.8Confident34 Ų3461.3 Ų61.315%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-113.6124.1-176.4-77.5-83.7000111.5I103 L104 A105 L134 C138 W152I103-F136 PolarHBondContact O-N 2.78Å; L104-F136 HydrophobicContact CD2-CB 4.18Å; A105-F136 WeakPolarHBondContact CB-O 3.17Å; A105-F136 PolarHBondContact N-O 3.34Å; L134-F136 HydrophobicContact CB-CD2 4.19Å; L134-F136 HydrophobicContact CB-CE2 3.74Å; L134-F136 HydrophobicContact CB-CZ 4.49Å; L134-F136 HydrophobicContact CD2-CD2 4.07Å; L134-F136 HydrophobicContact CD2-CE1 3.87Å; L134-F136 HydrophobicContact CD2-CE2 3.14Å; L134-F136 HydrophobicContact CD2-CZ 3.01Å; L134-F136 HydrophobicContact CG-CD2 3.75Å; L134-F136 HydrophobicContact CG-CE1 4.36Å; L134-F136 HydrophobicContact CG-CE2 3.28Å; L134-F136 HydrophobicContact CG-CG 4.49Å; L134-F136 HydrophobicContact CG-CZ 3.65Å; F136-C138 PolarHBondContact O-N 2.97Å; F136-W152 HydrophobicContact CE2-CB 3.84Å; F136-W152 AromaticContact CE2-CD2 3.9Å; F136-W152 HydrophobicContact CE2-CD2 3.9Å; F136-W152 AromaticContact CE2-CE3 3.86Å; F136-W152 HydrophobicContact CE2-CE3 3.86Å; F136-W152 AromaticContact CE2-CG 3.89Å; F136-W152 HydrophobicContact CE2-CG 3.89Å; F136-W152 HydrophobicContact CZ-CB 3.51Å; F136-W152 HydrophobicContact CZ-CD2 4.27Å; F136-W152 AromaticContact CZ-CG 3.77Å; F136-W152 HydrophobicContact CZ-CG 3.77Å
137P92Very high88Confident45 Ų4558.9 Ų58.929%0.29231%0.308SS..EExtended strand (participates in β ladder)trans-65126.1163.424.8-27.8000109Q108 I116 N145Q108-P137 HydrophobicContact CG-CB 3.78Å; I116-P137 HydrophobicContact CD1-CB 3.77Å; I116-P137 HydrophobicContact CD1-CG 4.33Å; I116-P137 HydrophobicContact CG1-CB 3.97Å; I116-P137 HydrophobicContact CG1-CG 4.16Å; P137-N145 WeakPolarHBondContact O-CB 3.2Å; P137-N145 PolarHBondContact O-ND2 3.42Å
138C92.9Very high88.2Confident2 Ų257 Ų571%0.01430%0.302CS..  trans-147.4170.1177.1730000113.2A105 N106 K107 Q108 F136 D144 N145A105-C138 PolarHBondContact O-N 2.97Å; N106-C138 CarbonylContact C-O 3.58Å; N106-C138 VanDerWaalsContact CA-O 3.3Å; N106-C138 WeakPolarHBondContact CA-O 3.3Å; K107-C138 PolarHBondContact N-O 3.36Å; Q108-C138 PolarHBondContact N-O 3.09Å; F136-C138 PolarHBondContact O-N 2.97Å; C138-D144 VanDerWaalsContact CA-O 3.26Å; C138-D144 WeakPolarHBondContact CA-O 3.47Å; C138-D144 WeakPolarHBondContact CB-O 3.42Å; C138-N145 HydrophobicContact CB-CB 4.28Å
139S89.7Confident88.6Confident2 Ų255.2 Ų55.21%0.01429%0.293CS..  trans-131.4117.1166179.20000111.4D109 L141 T142 L143 D144D109-S139 VanDerWaalsContact CG-OG 3.29Å; D109-S139 WeakPolarHBondContact OD1-CB 3.22Å; D109-S139 PolarHBondContact OD1-OG 2.88Å; S139-L141 PolarHBondContact O-N 2.63Å; S139-L141 PolarHBondContact OG-N 3.32Å; S139-L141 VanDerWaalsContact OG-N 3.12Å; S139-T142 WeakPolarHBondContact CB-OG1 3.28Å; S139-T142 PolarHBondContact OG-N 2.59Å; S139-T142 VanDerWaalsContact OG-N 3.15Å; S139-T142 PolarHBondContact OG-OG1 3.05Å; S139-L143 VanDerWaalsContact O-CA 3.3Å; S139-L143 WeakPolarHBondContact O-CA 3.47Å; S139-L143 PolarHBondContact O-N 2.89Å; S139-D144 PolarHBondContact N-O 2.96Å
140G86.8Confident89Confident2 Ų246.6 Ų46.62%0.02126%0.26CS..THydrogen-bonded Turntrans-66.8-11.9168.700000113.6R35 N106R35-G140 WeakPolarHBondContact CB-O 3.28Å; R35-G140 WeakPolarHBondContact CG-O 3.42Å; N106-G140 PolarHBondContact OD1-N 2.9Å
141L87.2Confident89.7Confident102 Ų10244.3 Ų44.353%0.53423%0.23SC..THydrogen-bonded Turntrans-91-40.3178.1-178.763.3000112.3R35 V41 S139R35-L141 PolarHBondContact NH1-O 2.9Å; R35-L141 PolarHBondContact NH2-O 3.43Å; V41-L141 HydrophobicContact CG2-CD1 4.16Å; S139-L141 PolarHBondContact O-N 2.63Å; S139-L141 PolarHBondContact OG-N 3.32Å; S139-L141 VanDerWaalsContact OG-N 3.12Å
142T88.8Confident90.3Very high61 Ų6145.8 Ų45.837%0.37423%0.234SC..THydrogen-bonded Turntrans-96.7-17-179.263.90000113.2D109 S139 D144D109-T142 HydrophobicContact CB-CG2 4.23Å; S139-T142 WeakPolarHBondContact CB-OG1 3.28Å; S139-T142 PolarHBondContact OG-N 2.59Å; S139-T142 VanDerWaalsContact OG-N 3.15Å; S139-T142 PolarHBondContact OG-OG1 3.05Å; T142-D144 VanDerWaalsContact C-N 3.28Å; T142-D144 WeakPolarHBondContact CB-OD2 3.45Å; T142-D144 WeakPolarHBondContact OG1-CB 2.86Å; T142-D144 PolarHBondContact OG1-N 3.17Å; T142-D144 PolarHBondContact OG1-OD2 3.41Å
143L89.3Confident90.5Very high66 Ų6641.5 Ų41.535%0.34621%0.214SC..  trans79.9-1.9-168.9-16569.7000113.9R35 S139 N145 L146 V147R35-L143 HydrophobicContact CG-CB 4.23Å; R35-L143 HydrophobicContact CG-CD1 3.56Å; R35-L143 HydrophobicContact CG-CG 4.47Å; S139-L143 VanDerWaalsContact O-CA 3.3Å; S139-L143 WeakPolarHBondContact O-CA 3.47Å; S139-L143 PolarHBondContact O-N 2.89Å; L143-N145 PolarHBondContact O-N 3.07Å; L143-L146 HydrophobicContact CD1-CB 4.25Å; L143-L146 HydrophobicContact CD1-CD2 4.1Å; L143-L146 HydrophobicContact CD1-CG 4.47Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 2.89Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L143-V147 HydrophobicContact CD1-CG2 4.28Å; L143-V147 HydrophobicContact CD2-CG2 4.39Å; L143-V147 HydrophobicContact CG-CG2 4.27Å
144D91.5Very high90.6Very high95 Ų9538 Ų3851%0.50820%0.201SC..THydrogen-bonded Turntrans-57.7130.1-176.9-63.6-28.6000111.9C138 S139 T142 L146C138-D144 VanDerWaalsContact CA-O 3.26Å; C138-D144 WeakPolarHBondContact CA-O 3.47Å; C138-D144 WeakPolarHBondContact CB-O 3.42Å; S139-D144 PolarHBondContact N-O 2.96Å; T142-D144 VanDerWaalsContact C-N 3.28Å; T142-D144 WeakPolarHBondContact CB-OD2 3.45Å; T142-D144 WeakPolarHBondContact OG1-CB 2.86Å; T142-D144 PolarHBondContact OG1-N 3.17Å; T142-D144 PolarHBondContact OG1-OD2 3.41Å; D144-L146 PolarHBondContact O-N 2.86Å
145N92Very high90.7Very high72 Ų7239.9 Ų39.939%0.38521%0.211SC..THydrogen-bonded Turntrans57.84-178.7-62-31.2000116P137 C138 L143 E148 G149P137-N145 WeakPolarHBondContact O-CB 3.2Å; P137-N145 PolarHBondContact O-ND2 3.42Å; C138-N145 HydrophobicContact CB-CB 4.28Å; L143-N145 PolarHBondContact O-N 3.07Å; N145-E148 WeakPolarHBondContact CA-OE2 3.19Å; N145-G149 PolarHBondContact O-N 2.83Å; N145-G149 VanDerWaalsContact O-N 3.09Å
146L90.1Very high90.7Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-75.7-39.4-173.6-176.553.9000111.2I32 R35 L36 L104 L143 D144 G149 I150I32-L146 HydrophobicContact CB-CD2 4.5Å; I32-L146 HydrophobicContact CG2-CD1 3.84Å; I32-L146 HydrophobicContact CG2-CD2 4.01Å; R35-L146 HydrophobicContact CG-CD2 4.37Å; L36-L146 HydrophobicContact CD1-CD1 4.4Å; L36-L146 HydrophobicContact CD1-CG 4.46Å; L36-L146 HydrophobicContact CD2-CD1 4.47Å; L36-L146 HydrophobicContact CD2-CD2 4.07Å; L36-L146 HydrophobicContact CD2-CG 3.78Å; L36-L146 HydrophobicContact CG-CD2 3.89Å; L36-L146 HydrophobicContact CG-CG 4.05Å; L104-L146 HydrophobicContact CD1-CD1 3.82Å; L143-L146 HydrophobicContact CD1-CB 4.25Å; L143-L146 HydrophobicContact CD1-CD2 4.1Å; L143-L146 HydrophobicContact CD1-CG 4.47Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 2.89Å; L143-L146 VanDerWaalsContact O-N 3.15Å; D144-L146 PolarHBondContact O-N 2.86Å; L146-G149 PolarHBondContact O-N 3.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.26Å; L146-I150 PolarHBondContact O-N 3.04Å; L146-I150 VanDerWaalsContact O-N 3.09Å
147V91.3Very high90.6Very high53 Ų5338.5 Ų38.532%0.32120%0.204SC..Hα-helixtrans-66.6-42.5178.1178.30000110.4Y57 L143 G149 I150 D151Y57-V147 WeakPolarHBondContact OH-CG1 3.47Å; L143-V147 HydrophobicContact CD1-CG2 4.28Å; L143-V147 HydrophobicContact CD2-CG2 4.39Å; L143-V147 HydrophobicContact CG-CG2 4.27Å; V147-G149 VanDerWaalsContact C-N 3.35Å; V147-G149 PolarHBondContact O-N 2.82Å; V147-I150 PolarHBondContact O-N 2.8Å; V147-D151 WeakPolarHBondContact O-CB 3Å; V147-D151 PolarHBondContact O-N 2.78Å
148E92Very high90.3Very high103 Ų10337 Ų3748%0.48120%0.196SC..Hα-helixtrans-62.7-41.5177.5-63.584.3168.300111.5N145 D151 W152N145-E148 WeakPolarHBondContact CA-OE2 3.19Å; E148-D151 PolarHBondContact O-N 3.33Å; E148-W152 PolarHBondContact O-N 3.19Å
149G90.9Very high89.9Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-63.2-41.2174.300000112.8N145 L146 V147 L153N145-G149 PolarHBondContact O-N 2.83Å; N145-G149 VanDerWaalsContact O-N 3.09Å; L146-G149 PolarHBondContact O-N 3.48Å; V147-G149 VanDerWaalsContact C-N 3.35Å; V147-G149 PolarHBondContact O-N 2.82Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 PolarHBondContact O-N 3.13Å; G149-L153 VanDerWaalsContact O-N 3.13Å
150I91.2Very high89.3Confident5 Ų544.1 Ų44.13%0.02623%0.234CC..Hα-helixtrans-69.7-36.8174.6-63.5-55.4000111.6L36 Y57 L62 I88 L146 V147 L153 V154L36-I150 HydrophobicContact CD1-CD1 3.91Å; L36-I150 HydrophobicContact CD1-CG1 3.83Å; L36-I150 HydrophobicContact CD2-CG1 3.81Å; L36-I150 HydrophobicContact CG-CG1 4.49Å; Y57-I150 HydrophobicContact CD1-CG2 4.19Å; Y57-I150 HydrophobicContact CE1-CG2 3.81Å; L62-I150 HydrophobicContact CD1-CG2 4.34Å; I88-I150 HydrophobicContact CD1-CD1 3.85Å; L146-I150 WeakPolarHBondContact O-CG1 3.26Å; L146-I150 PolarHBondContact O-N 3.04Å; L146-I150 VanDerWaalsContact O-N 3.09Å; V147-I150 PolarHBondContact O-N 2.8Å; I150-L153 HydrophobicContact CD1-CD2 4.37Å; I150-L153 WeakPolarHBondContact O-CB 3.36Å; I150-L153 PolarHBondContact O-N 3.07Å; I150-V154 HydrophobicContact CG2-CG2 4.11Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.16Å; I150-V154 PolarHBondContact O-N 2.9Å
151D93.1Very high88.7Confident27 Ų2746.7 Ų46.714%0.14425%0.249CC..Hα-helixtrans-61.1-49.1175.6-82-12.3000111.7Y57 R58 V147 E148 L153 V154 N155Y57-D151 WeakPolarHBondContact CE1-OD1 3.43Å; Y57-D151 VanDerWaalsContact CZ-OD1 3.23Å; Y57-D151 PolarHBondContact OH-OD1 2.81Å; R58-D151 WeakPolarHBondContact CD-OD1 3.32Å; R58-D151 IonicContact CZ-OD1 3.66Å; R58-D151 IonicContact CZ-OD2 3.46Å; R58-D151 VanDerWaalsContact NE-CG 3.33Å; R58-D151 IonicContact NE-OD1 3.35Å; R58-D151 PolarHBondContact NE-OD1 3.33Å; R58-D151 IonicContact NE-OD2 2.68Å; R58-D151 PolarHBondContact NE-OD2 3.25Å; R58-D151 IonicContact NH2-OD1 3.97Å; R58-D151 PolarHBondContact NH2-OD1 3.26Å; R58-D151 IonicContact NH2-OD2 3.42Å; R58-D151 PolarHBondContact NH2-OD2 3.4Å; V147-D151 WeakPolarHBondContact O-CB 3Å; V147-D151 PolarHBondContact O-N 2.78Å; E148-D151 PolarHBondContact O-N 3.33Å; D151-L153 VanDerWaalsContact C-N 3.25Å; D151-L153 PolarHBondContact O-N 3.05Å; D151-V154 PolarHBondContact O-N 3.41Å; D151-N155 VanDerWaalsContact O-CB 3.3Å; D151-N155 WeakPolarHBondContact O-CB 3.3Å; D151-N155 PolarHBondContact O-N 3.09Å; D151-N155 PolarHBondContact O-ND2 2.66Å; D151-N155 VanDerWaalsContact O-ND2 3.09Å
152W93.4Very high88Confident62 Ų6244.4 Ų44.424%0.23524%0.235CC..Hα-helixtrans-56.1-46174.5174.884.4000111.1T100 A102 L134 F136 E148 N155 D156T100-W152 HydrophobicContact CG2-CH2 3.62Å; T100-W152 HydrophobicContact CG2-CZ3 3.68Å; A102-W152 HydrophobicContact CB-CZ3 4.18Å; L134-W152 HydrophobicContact CB-CD2 3.81Å; L134-W152 HydrophobicContact CB-CE3 3.86Å; L134-W152 HydrophobicContact CB-CH2 3.54Å; L134-W152 HydrophobicContact CB-CZ2 3.45Å; L134-W152 VanDerWaalsContact CB-CZ2 3.45Å; L134-W152 HydrophobicContact CB-CZ3 3.73Å; L134-W152 HydrophobicContact CD2-CB 4.46Å; L134-W152 VanDerWaalsContact CD2-CD1 3.49Å; L134-W152 HydrophobicContact CD2-CD2 3.63Å; L134-W152 HydrophobicContact CD2-CE3 4.37Å; L134-W152 HydrophobicContact CD2-CG 3.6Å; L134-W152 HydrophobicContact CD2-CZ2 4.29Å; L134-W152 HydrophobicContact CG-CD2 4.33Å; F136-W152 HydrophobicContact CE2-CB 3.84Å; F136-W152 AromaticContact CE2-CD2 3.9Å; F136-W152 HydrophobicContact CE2-CD2 3.9Å; F136-W152 AromaticContact CE2-CE3 3.86Å; F136-W152 HydrophobicContact CE2-CE3 3.86Å; F136-W152 AromaticContact CE2-CG 3.89Å; F136-W152 HydrophobicContact CE2-CG 3.89Å; F136-W152 HydrophobicContact CZ-CB 3.51Å; F136-W152 HydrophobicContact CZ-CD2 4.27Å; F136-W152 AromaticContact CZ-CG 3.77Å; F136-W152 HydrophobicContact CZ-CG 3.77Å; E148-W152 PolarHBondContact O-N 3.19Å; W152-N155 PolarHBondContact O-N 3.14Å; W152-D156 HydrophobicContact CZ2-CB 4.36Å; W152-D156 WeakPolarHBondContact O-CB 3.48Å; W152-D156 PolarHBondContact O-N 3.2Å
153L90.8Very high86.7Confident0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-61.8-49.3-177.9179.570.1000112.5I19 C86 I88 T100 A102 G149 I150 D151 N155 D156 I157I19-L153 HydrophobicContact CD1-CD2 3.94Å; I19-L153 HydrophobicContact CG1-CD2 4.5Å; I19-L153 HydrophobicContact CG2-CD2 4.42Å; C86-L153 HydrophobicContact CB-CD1 3.67Å; C86-L153 HydrophobicContact CB-CD2 4.31Å; C86-L153 HydrophobicContact CB-CG 4.25Å; C86-L153 WeakPolarHBondContact SG-CD1 3.27Å; C86-L153 WeakPolarHBondContact SG-CD2 2.97Å; I88-L153 HydrophobicContact CD1-CD2 4.19Å; I88-L153 HydrophobicContact CG1-CD2 4.16Å; T100-L153 HydrophobicContact CG2-CD1 3.6Å; A102-L153 HydrophobicContact CB-CD1 3.77Å; A102-L153 HydrophobicContact CB-CD2 4.47Å; A102-L153 HydrophobicContact CB-CG 4.47Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 PolarHBondContact O-N 3.13Å; G149-L153 VanDerWaalsContact O-N 3.13Å; I150-L153 HydrophobicContact CD1-CD2 4.37Å; I150-L153 WeakPolarHBondContact O-CB 3.36Å; I150-L153 PolarHBondContact O-N 3.07Å; D151-L153 VanDerWaalsContact C-N 3.25Å; D151-L153 PolarHBondContact O-N 3.05Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 2.84Å; L153-D156 PolarHBondContact O-N 3.44Å; L153-I157 HydrophobicContact CD1-CD1 4.18Å; L153-I157 HydrophobicContact CG-CD1 3.99Å; L153-I157 WeakPolarHBondContact O-CD1 3.46Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.19Å; L153-I157 PolarHBondContact O-N 3.13Å
154V91.1Very high84.8Confident0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-63.5-41.1179.8170.10000110.1M17 Y57 Y60 L62 I150 D151 A158M17-V154 HydrophobicContact CE-CB 4.5Å; M17-V154 HydrophobicContact CE-CG1 3.83Å; M17-V154 VanDerWaalsContact CE-O 3.28Å; M17-V154 WeakPolarHBondContact CE-O 3.34Å; M17-V154 HydrophobicContact SD-CB 4.33Å; M17-V154 HydrophobicContact SD-CG1 4.05Å; M17-V154 HydrophobicContact SD-CG2 4.18Å; Y57-V154 HydrophobicContact CD1-CG1 4.48Å; Y57-V154 HydrophobicContact CD1-CG2 3.93Å; Y57-V154 HydrophobicContact CE1-CG2 4.3Å; Y60-V154 HydrophobicContact CD2-CG1 3.64Å; Y60-V154 HydrophobicContact CE2-CG1 4.09Å; Y60-V154 HydrophobicContact CG-CG1 4.42Å; L62-V154 HydrophobicContact CD1-CG2 3.9Å; L62-V154 HydrophobicContact CD2-CG2 3.95Å; I150-V154 HydrophobicContact CG2-CG2 4.11Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.16Å; I150-V154 PolarHBondContact O-N 2.9Å; D151-V154 PolarHBondContact O-N 3.41Å; V154-A158 WeakPolarHBondContact O-CB 3.38Å; V154-A158 PolarHBondContact O-N 3.33Å
155N91.9Very high82.4Confident93 Ų9359 Ų5950%0.49730%0.3SS..Hα-helixtrans-66.2-43.3178.7-69.9-25.5000112.5D151 W152 L153 A158 S159D151-N155 VanDerWaalsContact O-CB 3.3Å; D151-N155 WeakPolarHBondContact O-CB 3.3Å; D151-N155 PolarHBondContact O-N 3.09Å; D151-N155 PolarHBondContact O-ND2 2.66Å; D151-N155 VanDerWaalsContact O-ND2 3.09Å; W152-N155 PolarHBondContact O-N 3.14Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 2.84Å; N155-A158 PolarHBondContact O-N 2.98Å; N155-S159 WeakPolarHBondContact O-CB 3.45Å; N155-S159 PolarHBondContact O-N 3.47Å; N155-S159 PolarHBondContact O-OG 3.04Å
156D89.5Confident81.9Confident19 Ų1958.3 Ų58.310%0.10230%0.295CS..Hα-helixtrans-65.4-44.5178.7-17583.1000111.6T100 H132 W152 L153 A158 S159 H160T100-D156 WeakPolarHBondContact CB-OD2 3.3Å; T100-D156 HydrophobicContact CG2-CB 4.06Å; T100-D156 WeakPolarHBondContact CG2-OD2 3.34Å; T100-D156 PolarHBondContact OG1-OD2 3.01Å; H132-D156 WeakPolarHBondContact CB-OD2 3.48Å; H132-D156 IonicContact CE1-OD1 3.26Å; H132-D156 IonicContact CG-OD1 3.1Å; H132-D156 IonicContact CG-OD2 2.88Å; H132-D156 IonicContact ND1-OD1 3.67Å; H132-D156 PolarHBondContact ND1-OD1 3.41Å; H132-D156 IonicContact ND1-OD2 2.9Å; W152-D156 HydrophobicContact CZ2-CB 4.36Å; W152-D156 WeakPolarHBondContact O-CB 3.48Å; W152-D156 PolarHBondContact O-N 3.2Å; L153-D156 PolarHBondContact O-N 3.44Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.45Å; D156-S159 WeakPolarHBondContact CA-OG 3.38Å; D156-S159 PolarHBondContact O-N 3.1Å; D156-S159 PolarHBondContact O-OG 3.08Å; D156-H160 PolarHBondContact O-CD2 3.29Å; D156-H160 PolarHBondContact O-N 3.1Å; D156-H160 IonicContact OD1-CD2 2.71Å; D156-H160 IonicContact OD1-NE2 3.47Å
157I86.7Confident81.5Confident0 Ų061.4 Ų61.40%031%0.311CS..Hα-helixtrans-60.2-46.2173.6-63.7165.6000109.8M17 H85 C86 L153 S159 H160 V161 F162M17-I157 HydrophobicContact CE-CB 3.97Å; M17-I157 HydrophobicContact CE-CG2 3.84Å; M17-I157 HydrophobicContact CG-CG2 3.98Å; M17-I157 HydrophobicContact SD-CB 4.12Å; M17-I157 HydrophobicContact SD-CD1 4.05Å; M17-I157 HydrophobicContact SD-CG2 3.95Å; H85-I157 HydrophobicContact CB-CG2 4.08Å; C86-I157 HydrophobicContact CB-CD1 3.45Å; C86-I157 VanDerWaalsContact CB-CD1 3.45Å; C86-I157 HydrophobicContact CB-CG1 4.17Å; L153-I157 HydrophobicContact CD1-CD1 4.18Å; L153-I157 HydrophobicContact CG-CD1 3.99Å; L153-I157 WeakPolarHBondContact O-CD1 3.46Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.19Å; L153-I157 PolarHBondContact O-N 3.13Å; I157-S159 VanDerWaalsContact C-N 3.3Å; I157-S159 PolarHBondContact O-N 3.01Å; I157-H160 PolarHBondContact O-N 3.13Å; I157-V161 HydrophobicContact CG2-CB 4.18Å; I157-V161 HydrophobicContact CG2-CG2 3.84Å; I157-V161 VanDerWaalsContact O-CB 3.27Å; I157-V161 WeakPolarHBondContact O-CB 3.2Å; I157-V161 WeakPolarHBondContact O-CG2 3.37Å; I157-V161 PolarHBondContact O-N 3.1Å; I157-F162 HydrophobicContact CG2-CE2 4.25Å
158A86.6Confident81Confident13 Ų1361.8 Ų61.811%0.10731%0.31CS..Hα-helixtrans-60.9-39.6-179.100000112.7M17 Y60 V154 N155 D156 H160 F162M17-A158 HydrophobicContact CE-CB 3.98Å; Y60-A158 HydrophobicContact CE1-CB 4.41Å; Y60-A158 HydrophobicContact CE2-CB 4.17Å; Y60-A158 VanDerWaalsContact OH-CB 3.28Å; Y60-A158 WeakPolarHBondContact OH-CB 3.18Å; V154-A158 WeakPolarHBondContact O-CB 3.38Å; V154-A158 PolarHBondContact O-N 3.33Å; N155-A158 PolarHBondContact O-N 2.98Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.45Å; A158-H160 VanDerWaalsContact C-N 3.28Å; A158-H160 PolarHBondContact O-N 2.83Å; A158-F162 HydrophobicContact CB-CD2 4.4Å; A158-F162 PolarHBondContact O-N 3.32Å
159S85.1Confident80.3Confident49 Ų4959.4 Ų59.434%0.34330%0.3SS..Hα-helixtrans-74.4-12.2-178.360.20000114.8N155 D156 I157 T163N155-S159 WeakPolarHBondContact O-CB 3.45Å; N155-S159 PolarHBondContact O-N 3.47Å; N155-S159 PolarHBondContact O-OG 3.04Å; D156-S159 WeakPolarHBondContact CA-OG 3.38Å; D156-S159 PolarHBondContact O-N 3.1Å; D156-S159 PolarHBondContact O-OG 3.08Å; I157-S159 VanDerWaalsContact C-N 3.3Å; I157-S159 PolarHBondContact O-N 3.01Å; S159-T163 PolarHBondContact O-OG1 2.97Å
160H76.7Confident79.6Confident104 Ų10463.1 Ų63.148%0.48132%0.319SS..Hα-helixtrans-124.5-24.4-176.5-61.4-51.9000114.6H132 D156 I157 A158H132-H160 AromaticContact CE1-CD2 3.42Å; H132-H160 PolarHBondContact CE1-CD2 2.89Å; H132-H160 VanDerWaalsContact CE1-CD2 3.42Å; H132-H160 AromaticContact CE1-CE1 3.61Å; H132-H160 AromaticContact CE1-NE2 3.11Å; H132-H160 PolarHBondContact CE1-NE2 3.43Å; H132-H160 AromaticContact ND1-CD2 3.37Å; H132-H160 PolarHBondContact ND1-CD2 3.31Å; H132-H160 AromaticContact ND1-NE2 3.35Å; H132-H160 PolarHBondContact ND1-NE2 3.44Å; D156-H160 PolarHBondContact O-CD2 3.29Å; D156-H160 PolarHBondContact O-N 3.1Å; D156-H160 IonicContact OD1-CD2 2.71Å; D156-H160 IonicContact OD1-NE2 3.47Å; I157-H160 PolarHBondContact O-N 3.13Å; A158-H160 VanDerWaalsContact C-N 3.28Å; A158-H160 PolarHBondContact O-N 2.83Å
161V73.6Confident78.9Confident57 Ų5767 Ų6735%0.34534%0.339SS..Hα-helixtrans-95.9-40.9179-178.70000111.3I157I157-V161 HydrophobicContact CG2-CB 4.18Å; I157-V161 HydrophobicContact CG2-CG2 3.84Å; I157-V161 VanDerWaalsContact O-CB 3.27Å; I157-V161 WeakPolarHBondContact O-CB 3.2Å; I157-V161 WeakPolarHBondContact O-CG2 3.37Å; I157-V161 PolarHBondContact O-N 3.1Å
162F72.3Confident77.9Confident54 Ų5469.9 Ų69.924%0.23735%0.352CS..SBendtrans-104.4-3.3-170.4-55.9-51.4000114.3E14 M17 Y60 I157 A158 Q164E14-F162 WeakPolarHBondContact O-CD1 3.5Å; E14-F162 WeakPolarHBondContact O-CE1 3.25Å; E14-F162 WeakPolarHBondContact O-CG 3.44Å; E14-F162 WeakPolarHBondContact O-CZ 3.32Å; M17-F162 HydrophobicContact CE-CD2 4.08Å; M17-F162 HydrophobicContact CE-CE2 3.56Å; M17-F162 HydrophobicContact CG-CE2 3.75Å; M17-F162 HydrophobicContact CG-CZ 4.09Å; Y60-F162 HydrophobicContact CD1-CD2 4.23Å; Y60-F162 AromaticContact CD1-CE2 3.99Å; Y60-F162 HydrophobicContact CD1-CE2 3.99Å; Y60-F162 AromaticContact CE1-CD2 3.59Å; Y60-F162 HydrophobicContact CE1-CD2 3.59Å; Y60-F162 AromaticContact CE1-CE2 3.83Å; Y60-F162 HydrophobicContact CE1-CE2 3.83Å; I157-F162 HydrophobicContact CG2-CE2 4.25Å; A158-F162 HydrophobicContact CB-CD2 4.4Å; A158-F162 PolarHBondContact O-N 3.32Å; F162-Q164 PolarHBondContact O-N 2.83Å
163T62.2Low76.7Confident85 Ų8570.5 Ų70.552%0.52136%0.362SS..  trans-83.227.1179.3410000114.1S159 E165S159-T163 PolarHBondContact O-OG1 2.97Å; T163-E165 VanDerWaalsContact C-N 3.32Å; T163-E165 PolarHBondContact O-N 3.06Å
164Q48.7Very low75.5Confident179 Ų17976.3 Ų76.384%0.83639%0.392SS*.  trans-8775.1168.6-64.5-167.214.100110.3F162F162-Q164 PolarHBondContact O-N 2.83Å
165E41.5Very low74.1Confident263 Ų26383.3 Ų83.3100%1.22943%0.427SS*.  trans-132.60152.4-80.3-170.6167.400109.2T163T163-E165 VanDerWaalsContact C-N 3.32Å; T163-E165 PolarHBondContact O-N 3.06Å

Retrieved 165 of 165 residues in 161.2 ms (Link to these results)

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