A0A075BHW2_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BHW2, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,038 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
1G36Very low69Low116 Ų11697.7 Ų97.7100%1.19657%0.572SS**  0136.9000000107.8
2D40.8Very low68.7Low105 Ų10595.8 Ų95.856%0.56157%0.568SS**  trans-68.7133.8178.3-74.6-22.3000110.3Q4 H34 K38D2-Q4 PolarHBondContact O-N 2.94Å; D2-H34 IonicContact OD1-CE1 2.9Å; D2-H34 IonicContact OD1-NE2 3.88Å; D2-K38 IonicContact OD1-NZ 3.4Å; D2-K38 PolarHBondContact OD1-NZ 3.17Å; D2-K38 IonicContact OD2-NZ 3.15Å; D2-K38 PolarHBondContact OD2-NZ 3.34Å
3L55Low68.1Low73 Ų7395 Ų9538%0.38259%0.592SS.*  trans-68.798.6168.4-90.290.7000108.5V5 D30 H34L3-V5 PolarHBondContact O-N 2.71Å; L3-V5 VanDerWaalsContact O-N 3.07Å; L3-D30 HydrophobicContact CD2-CB 4.1Å; L3-H34 HydrophobicContact CD1-CB 4.08Å
4Q62.3Low67.9Low192 Ų19293.4 Ų93.490%0.89760%0.603SS**  trans-71.7101.3170.9-72.4-167.3-7.200110D2D2-Q4 PolarHBondContact O-N 2.94Å
5V78.3Confident68.2Low23 Ų2390.5 Ų90.514%0.13958%0.583CS.*  trans-99.2133.9169.6174.70000108.5L3 S7 A20 P22 F31L3-V5 PolarHBondContact O-N 2.71Å; L3-V5 VanDerWaalsContact O-N 3.07Å; V5-S7 PolarHBondContact O-N 3.25Å; V5-A20 HydrophobicContact CG1-CB 4Å; V5-P22 HydrophobicContact CG1-CB 4.3Å; V5-P22 HydrophobicContact CG1-CG 3.94Å; V5-F31 HydrophobicContact CB-CD2 4.07Å; V5-F31 HydrophobicContact CB-CE2 4.11Å; V5-F31 HydrophobicContact CG2-CB 4.02Å; V5-F31 HydrophobicContact CG2-CD2 3.45Å; V5-F31 VanDerWaalsContact CG2-CD2 3.45Å; V5-F31 HydrophobicContact CG2-CE2 4Å; V5-F31 HydrophobicContact CG2-CG 3.74Å
6P80.8Confident68.8Low78 Ų7888.6 Ų88.651%0.50657%0.57SS.*  trans-53.5122.8171.3-25.134.3000110.5S21P6-S21 PolarHBondContact O-N 2.91Å
7S83.5Confident69.6Low78 Ų7883.9 Ų83.955%0.54554%0.539SS..EExtended strand (participates in β ladder)trans-143.6147.3-179.457.20000112.7V5 Y19V5-S7 PolarHBondContact O-N 3.25Å; S7-Y19 CarbonylContact C-O 3.57Å; S7-Y19 WeakPolarHBondContact CA-O 3.4Å; S7-Y19 WeakPolarHBondContact CB-O 3.43Å
8F80.6Confident70.7Confident113 Ų11380.1 Ų80.150%0.49651%0.514SS..EExtended strand (participates in β ladder)trans-135.2157175.664.7-85.3000110.1V10 Y19F8-V10 HydrophobicContact CD2-CG2 3.74Å; F8-V10 HydrophobicContact CE2-CG2 3.59Å; F8-Y19 HydrophobicContact CD2-CD2 4.38Å; F8-Y19 HydrophobicContact CE1-CG 4.26Å; F8-Y19 AromaticContact CE2-CD2 3.78Å; F8-Y19 HydrophobicContact CE2-CD2 3.78Å; F8-Y19 AromaticContact CE2-CG 3.92Å; F8-Y19 HydrophobicContact CE2-CG 3.92Å; F8-Y19 VanDerWaalsContact CZ-CB 3.48Å; F8-Y19 HydrophobicContact CZ-CD1 4.33Å; F8-Y19 HydrophobicContact CZ-CD2 4.06Å; F8-Y19 AromaticContact CZ-CG 3.7Å; F8-Y19 HydrophobicContact CZ-CG 3.7Å; F8-Y19 PolarHBondContact N-O 3.34Å; F8-Y19 PolarHBondContact O-N 2.88Å
9K85.4Confident71.4Confident134 Ų13478.3 Ų78.358%0.58350%0.496SS*.EExtended strand (participates in β ladder)trans-112.7135.3180-64-163.5177.6-149.80111.2T16 F17 T18 E140K9-T16 HydrophobicContact CB-CG2 4.29Å; K9-T16 HydrophobicContact CD-CG2 4.04Å; K9-F17 CarbonylContact C-O 3.55Å; K9-F17 VanDerWaalsContact CA-O 3.29Å; K9-F17 WeakPolarHBondContact CA-O 3.46Å; K9-T18 WeakPolarHBondContact CE-OG1 3.43Å; K9-T18 HydrophobicContact CG-CG2 4.28Å; K9-T18 PolarHBondContact NZ-OG1 3.38Å; K9-E140 IonicContact NZ-OE1 2.71Å
10V81.4Confident72.2Confident60 Ų6074.4 Ų74.436%0.36447%0.472SS..EExtended strand (participates in β ladder)trans-124.4132.6175.2-176.60000108.4F8 F17 Y19F8-V10 HydrophobicContact CD2-CG2 3.74Å; F8-V10 HydrophobicContact CE2-CG2 3.59Å; V10-F17 PolarHBondContact N-O 3.03Å; V10-F17 PolarHBondContact O-N 2.94Å; V10-Y19 HydrophobicContact CB-CD2 4.47Å; V10-Y19 HydrophobicContact CB-CE2 4.11Å; V10-Y19 HydrophobicContact CG2-CD2 4.03Å; V10-Y19 HydrophobicContact CG2-CE2 3.99Å
11V74.9Confident72.7Confident103 Ų10373 Ų7362%0.62446%0.464SS*.EExtended strand (participates in β ladder)trans-101.1120.6173-176.90000108.4T15 T16V11-T15 WeakPolarHBondContact CA-O 3.41Å; V11-T16 HydrophobicContact CG2-CG2 4.49Å
12S65.1Low75Confident75 Ų7567.6 Ų67.652%0.52441%0.408SS..EExtended strand (participates in β ladder)trans-137.4133.1176.8-1730000109.9G14 T15S12-G14 PolarHBondContact O-N 3.23Å; S12-G14 VanDerWaalsContact O-N 3.1Å; S12-T15 PolarHBondContact N-O 2.81Å; S12-T15 PolarHBondContact O-N 3.18Å
13G61.6Low76.7Confident85 Ų8570.6 Ų70.688%0.87642%0.416SS*.THydrogen-bonded Turntrans57.225.2-178.700000115T15G13-T15 VanDerWaalsContact C-N 3.28Å; G13-T15 PolarHBondContact O-N 3.4Å
14G64.5Low77.8Confident73 Ų7369.7 Ų69.775%0.75342%0.415SS*.THydrogen-bonded Turntrans80.5-2-174.300000115.3S12S12-G14 PolarHBondContact O-N 3.23Å; S12-G14 VanDerWaalsContact O-N 3.1Å
15T72.3Confident78.5Confident49 Ų4963.1 Ų63.130%0.30140%0.4SS..EExtended strand (participates in β ladder)trans-99.5139175.3-55.40000110.3V11 S12 G13 F17 M141V11-T15 WeakPolarHBondContact CA-O 3.41Å; S12-T15 PolarHBondContact N-O 2.81Å; S12-T15 PolarHBondContact O-N 3.18Å; G13-T15 VanDerWaalsContact C-N 3.28Å; G13-T15 PolarHBondContact O-N 3.4Å; T15-F17 HydrophobicContact CG2-CE2 3.99Å; T15-F17 HydrophobicContact CG2-CZ 4.13Å; T15-M141 HydrophobicContact CG2-CB 4.39Å; T15-M141 HydrophobicContact CG2-CE 4.28Å; T15-M141 HydrophobicContact CG2-CG 3.45Å; T15-M141 VanDerWaalsContact CG2-CG 3.45Å
16T77.6Confident78.5Confident60 Ų6064.5 Ų64.537%0.36841%0.414SS..EExtended strand (participates in β ladder)trans-95.3118.8176.1-580000110.1K9 V11 M141K9-T16 HydrophobicContact CB-CG2 4.29Å; K9-T16 HydrophobicContact CD-CG2 4.04Å; V11-T16 HydrophobicContact CG2-CG2 4.49Å; T16-M141 PolarHBondContact O-N 3.38Å
17F83.8Confident78.5Confident10 Ų1062.1 Ų62.14%0.04440%0.4CS..EExtended strand (participates in β ladder)trans-99.2121173.2-65.3-92.3000109.5K9 V10 T15 Y19 F125 L129 M141 V143K9-F17 CarbonylContact C-O 3.55Å; K9-F17 VanDerWaalsContact CA-O 3.29Å; K9-F17 WeakPolarHBondContact CA-O 3.46Å; V10-F17 PolarHBondContact N-O 3.03Å; V10-F17 PolarHBondContact O-N 2.94Å; T15-F17 HydrophobicContact CG2-CE2 3.99Å; T15-F17 HydrophobicContact CG2-CZ 4.13Å; F17-Y19 HydrophobicContact CB-CD2 4.13Å; F17-Y19 HydrophobicContact CB-CE2 3.55Å; F17-Y19 HydrophobicContact CG-CE2 4.41Å; F17-F125 HydrophobicContact CE1-CZ 4.45Å; F17-L129 HydrophobicContact CE1-CD2 3.72Å; F17-L129 HydrophobicContact CZ-CD1 4.04Å; F17-L129 HydrophobicContact CZ-CD2 3.66Å; F17-M141 CarbonylContact C-O 3.49Å; F17-M141 WeakPolarHBondContact CA-O 3.49Å; F17-M141 HydrophobicContact CD1-CB 3.37Å; F17-M141 HydrophobicContact CD1-CG 3.98Å; F17-M141 HydrophobicContact CE1-CB 3.58Å; F17-M141 HydrophobicContact CE1-CG 3.64Å; F17-M141 HydrophobicContact CE1-SD 4.41Å; F17-M141 HydrophobicContact CG-CB 4.03Å; F17-M141 HydrophobicContact CZ-CB 4.39Å; F17-M141 HydrophobicContact CZ-CG 4.09Å; F17-V143 HydrophobicContact CD1-CG2 4.05Å
18T88.2Confident78.5Confident14 Ų1459 Ų599%0.08638%0.378CS..EExtended strand (participates in β ladder)trans-91.8114.8165.3-54.10000107.6K9 M141 L142 V143K9-T18 WeakPolarHBondContact CE-OG1 3.43Å; K9-T18 HydrophobicContact CG-CG2 4.28Å; K9-T18 PolarHBondContact NZ-OG1 3.38Å; T18-M141 PolarHBondContact N-O 2.9Å; T18-L142 HydrophobicContact CG2-CD1 4.07Å; T18-L142 CarbonylContact O-C 3.54Å; T18-L142 WeakPolarHBondContact O-CA 2.87Å; T18-V143 PolarHBondContact O-N 3.4Å
19Y84.9Confident78.9Confident47 Ų4754.7 Ų54.718%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-90.6128.4170.8-71.4-96.6000108.3S7 F8 V10 F17 V143 T145S7-Y19 CarbonylContact C-O 3.57Å; S7-Y19 WeakPolarHBondContact CA-O 3.4Å; S7-Y19 WeakPolarHBondContact CB-O 3.43Å; F8-Y19 HydrophobicContact CD2-CD2 4.38Å; F8-Y19 HydrophobicContact CE1-CG 4.26Å; F8-Y19 AromaticContact CE2-CD2 3.78Å; F8-Y19 HydrophobicContact CE2-CD2 3.78Å; F8-Y19 AromaticContact CE2-CG 3.92Å; F8-Y19 HydrophobicContact CE2-CG 3.92Å; F8-Y19 VanDerWaalsContact CZ-CB 3.48Å; F8-Y19 HydrophobicContact CZ-CD1 4.33Å; F8-Y19 HydrophobicContact CZ-CD2 4.06Å; F8-Y19 AromaticContact CZ-CG 3.7Å; F8-Y19 HydrophobicContact CZ-CG 3.7Å; F8-Y19 PolarHBondContact N-O 3.34Å; F8-Y19 PolarHBondContact O-N 2.88Å; V10-Y19 HydrophobicContact CB-CD2 4.47Å; V10-Y19 HydrophobicContact CB-CE2 4.11Å; V10-Y19 HydrophobicContact CG2-CD2 4.03Å; V10-Y19 HydrophobicContact CG2-CE2 3.99Å; F17-Y19 HydrophobicContact CB-CD2 4.13Å; F17-Y19 HydrophobicContact CB-CE2 3.55Å; F17-Y19 HydrophobicContact CG-CE2 4.41Å; Y19-V143 WeakPolarHBondContact CA-O 3.33Å; Y19-V143 HydrophobicContact CD1-CB 3.66Å; Y19-V143 HydrophobicContact CD1-CG1 3.6Å; Y19-V143 HydrophobicContact CD1-CG2 4.34Å; Y19-V143 HydrophobicContact CE1-CB 3.77Å; Y19-V143 HydrophobicContact CE1-CG1 3.57Å; Y19-V143 HydrophobicContact CE1-CG2 3.99Å; Y19-V143 HydrophobicContact CG-CB 4.23Å; Y19-T145 HydrophobicContact CD1-CG2 4.2Å
20A86.3Confident78.9Confident0 Ų051.7 Ų51.70%035%0.351CS..EExtended strand (participates in β ladder)trans-120.3130.617500000109V5 P22 F31 L142 V143 I144 T145V5-A20 HydrophobicContact CG1-CB 4Å; A20-P22 VanDerWaalsContact O-CD 3.25Å; A20-P22 WeakPolarHBondContact O-CD 3.47Å; A20-F31 HydrophobicContact CB-CE1 3.74Å; A20-F31 HydrophobicContact CB-CZ 4.02Å; A20-L142 HydrophobicContact CB-CD1 4.17Å; A20-V143 PolarHBondContact N-O 3.14Å; A20-I144 WeakPolarHBondContact O-CA 3.4Å; A20-T145 PolarHBondContact O-N 3.43Å; A20-T145 VanDerWaalsContact O-N 3.08Å; A20-T145 PolarHBondContact O-OG1 3.28Å
21S84.4Confident79.1Confident46 Ų4650.2 Ų50.232%0.32234%0.339SS..  trans-114.182.2-179.3-58.30000111.2P6 T145P6-S21 PolarHBondContact O-N 2.91Å; S21-T145 WeakPolarHBondContact CA-OG1 3.22Å; S21-T145 PolarHBondContact OG-OG1 3.42Å
22P83.4Confident79.8Confident1 Ų145.5 Ų45.51%0.00631%0.311CS..  trans-65.1145.9173.4-16.630.5000111.3V5 A20 S24 A27 S28 F31 I144 C147V5-P22 HydrophobicContact CG1-CB 4.3Å; V5-P22 HydrophobicContact CG1-CG 3.94Å; A20-P22 VanDerWaalsContact O-CD 3.25Å; A20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-S24 PolarHBondContact O-N 2.88Å; P22-S24 VanDerWaalsContact O-N 3.14Å; P22-A27 HydrophobicContact CB-CB 4.04Å; P22-S28 WeakPolarHBondContact CB-OG 3.29Å; P22-S28 WeakPolarHBondContact CG-OG 3.47Å; P22-F31 HydrophobicContact CG-CD1 4.45Å; P22-I144 HydrophobicContact CG-CG2 4.08Å; P22-C147 WeakPolarHBondContact O-CB 3.34Å
23K75.8Confident80.8Confident169 Ų16942 Ų4274%0.73529%0.286SS*.SBendtrans-70.2-8.4-173.2-60.7-174.4178.1-1740115.4
24S78.5Confident82Confident53 Ų5340 Ų4037%0.37125%0.254SS..SBendtrans-165.7161.7178.871.40000110.4P22 A26 A27 S28P22-S24 PolarHBondContact O-N 2.88Å; P22-S24 VanDerWaalsContact O-N 3.14Å; S24-A26 PolarHBondContact O-N 3.03Å; S24-A27 WeakPolarHBondContact O-CB 3.47Å; S24-A27 PolarHBondContact O-N 2.83Å; S24-A27 PolarHBondContact OG-N 3.11Å; S24-S28 PolarHBondContact O-N 3.32Å; S24-S28 PolarHBondContact O-OG 2.91Å
25G76.8Confident83Confident55 Ų5537.4 Ų37.457%0.56722%0.223SC*.Hα-helixtrans-58.5-31.9176.400000114.1S28 L29G25-S28 WeakPolarHBondContact O-CB 3.1Å; G25-S28 PolarHBondContact O-N 2.84Å; G25-L29 WeakPolarHBondContact O-CG 3.3Å; G25-L29 PolarHBondContact O-N 3.33Å
26A78.9Confident83.6Confident52 Ų5236 Ų3643%0.4321%0.214SC..Hα-helixtrans-68.1-45.217300000111.4S24 S28 L29 D30S24-A26 PolarHBondContact O-N 3.03Å; A26-S28 VanDerWaalsContact C-N 3.25Å; A26-S28 PolarHBondContact O-N 2.81Å; A26-L29 PolarHBondContact O-N 3.38Å; A26-L29 VanDerWaalsContact O-N 3.11Å; A26-D30 VanDerWaalsContact O-CG 3.31Å; A26-D30 PolarHBondContact O-N 3.19Å
27A80.8Confident83.8Confident27 Ų2739.9 Ų39.922%0.22322%0.222CC..Hα-helixtrans-62.3-32.2175.100000112.4P22 S24 F31P22-A27 HydrophobicContact CB-CB 4.04Å; S24-A27 WeakPolarHBondContact O-CB 3.47Å; S24-A27 PolarHBondContact O-N 2.83Å; S24-A27 PolarHBondContact OG-N 3.11Å; A27-F31 WeakPolarHBondContact O-CB 3.49Å; A27-F31 PolarHBondContact O-N 3.49Å
28S83.8Confident83.4Confident13 Ų1345.6 Ų45.69%0.09125%0.247CC..Hα-helixtrans-62.5-43.9172.1-57.50000112.4P22 S24 G25 A26 L32P22-S28 WeakPolarHBondContact CB-OG 3.29Å; P22-S28 WeakPolarHBondContact CG-OG 3.47Å; S24-S28 PolarHBondContact O-N 3.32Å; S24-S28 PolarHBondContact O-OG 2.91Å; G25-S28 WeakPolarHBondContact O-CB 3.1Å; G25-S28 PolarHBondContact O-N 2.84Å; A26-S28 VanDerWaalsContact C-N 3.25Å; A26-S28 PolarHBondContact O-N 2.81Å; S28-L32 WeakPolarHBondContact O-CB 3.35Å; S28-L32 WeakPolarHBondContact O-CD1 3.38Å; S28-L32 VanDerWaalsContact O-CG 3.27Å; S28-L32 WeakPolarHBondContact O-CG 3.47Å; S28-L32 PolarHBondContact O-N 3.21Å
29L88.3Confident82.5Confident23 Ų2348 Ų4812%0.1226%0.255CS..Hα-helixtrans-71-36178.8-67.8165.5000112.3G25 A26 L32 A33 L59 E62G25-L29 WeakPolarHBondContact O-CG 3.3Å; G25-L29 PolarHBondContact O-N 3.33Å; A26-L29 PolarHBondContact O-N 3.38Å; A26-L29 VanDerWaalsContact O-N 3.11Å; L29-L32 HydrophobicContact CD2-CD1 4.28Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 3.4Å; L29-L59 HydrophobicContact CD2-CD1 3.7Å; L29-E62 HydrophobicContact CD1-CB 3.98Å; L29-E62 HydrophobicContact CD1-CG 4Å; L29-E62 WeakPolarHBondContact CD1-OE2 3.42Å; L29-E62 HydrophobicContact CD2-CB 3.88Å; L29-E62 HydrophobicContact CD2-CG 4.49Å
30D85.2Confident81Confident71 Ų7152.2 Ų52.238%0.3828%0.276SS..Hα-helixtrans-69.6-39.2174.9-63.7-18.8000111.6L3 A26 A33 H34 R66L3-D30 HydrophobicContact CD2-CB 4.1Å; A26-D30 VanDerWaalsContact O-CG 3.31Å; A26-D30 PolarHBondContact O-N 3.19Å; D30-A33 PolarHBondContact O-N 2.9Å; D30-H34 VanDerWaalsContact O-CB 3.27Å; D30-H34 WeakPolarHBondContact O-CB 3.3Å; D30-H34 PolarHBondContact O-N 3.48Å; D30-R66 IonicContact OD1-CZ 2.72Å; D30-R66 IonicContact OD1-NE 2.77Å; D30-R66 PolarHBondContact OD1-NE 3.12Å; D30-R66 IonicContact OD1-NH2 2.7Å
31F86.7Confident79.5Confident28 Ų2855 Ų5512%0.12330%0.299CS..Hα-helixtrans-65.7-40.3172.6175-109000112.5V5 A20 P22 A27 H34 T35 L142 I144V5-F31 HydrophobicContact CB-CD2 4.07Å; V5-F31 HydrophobicContact CB-CE2 4.11Å; V5-F31 HydrophobicContact CG2-CB 4.02Å; V5-F31 HydrophobicContact CG2-CD2 3.45Å; V5-F31 VanDerWaalsContact CG2-CD2 3.45Å; V5-F31 HydrophobicContact CG2-CE2 4Å; V5-F31 HydrophobicContact CG2-CG 3.74Å; A20-F31 HydrophobicContact CB-CE1 3.74Å; A20-F31 HydrophobicContact CB-CZ 4.02Å; P22-F31 HydrophobicContact CG-CD1 4.45Å; A27-F31 WeakPolarHBondContact O-CB 3.49Å; A27-F31 PolarHBondContact O-N 3.49Å; F31-H34 PolarHBondContact O-N 2.98Å; F31-T35 VanDerWaalsContact O-CB 3.31Å; F31-T35 WeakPolarHBondContact O-CB 3.21Å; F31-T35 PolarHBondContact O-N 2.9Å; F31-T35 PolarHBondContact O-OG1 2.77Å; F31-L142 HydrophobicContact CE1-CD1 4.47Å; F31-L142 HydrophobicContact CE1-CD2 4.16Å; F31-I144 HydrophobicContact CD1-CD1 4.27Å
32L88.5Confident78Confident4 Ų458.9 Ų58.92%0.02132%0.316CS..Hα-helixtrans-60-52.2171.7-82.9162.4000111.2S28 L29 H34 T35 L36 L48 L59 L63 I115 T117 I144S28-L32 WeakPolarHBondContact O-CB 3.35Å; S28-L32 WeakPolarHBondContact O-CD1 3.38Å; S28-L32 VanDerWaalsContact O-CG 3.27Å; S28-L32 WeakPolarHBondContact O-CG 3.47Å; S28-L32 PolarHBondContact O-N 3.21Å; L29-L32 HydrophobicContact CD2-CD1 4.28Å; L29-L32 PolarHBondContact O-N 3.01Å; L32-H34 VanDerWaalsContact C-N 3.31Å; L32-H34 PolarHBondContact O-N 2.99Å; L32-T35 PolarHBondContact O-N 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.46Å; L32-L48 HydrophobicContact CD2-CD2 3.7Å; L32-L59 HydrophobicContact CD1-CD1 4.05Å; L32-L63 HydrophobicContact CB-CD2 4.08Å; L32-I115 HydrophobicContact CD2-CD1 4.19Å; L32-I115 HydrophobicContact CD2-CG2 3.78Å; L32-T117 HydrophobicContact CD1-CG2 4.07Å; L32-T117 HydrophobicContact CD2-CG2 4.05Å; L32-I144 HydrophobicContact CD1-CD1 3.76Å; L32-I144 HydrophobicContact CD2-CD1 3.47Å; L32-I144 VanDerWaalsContact CD2-CD1 3.47Å; L32-I144 HydrophobicContact CG-CD1 3.38Å
33A87.6Confident76.9Confident1 Ų164.4 Ų64.41%0.00834%0.344CS..Hα-helixtrans-61.7-39.9179.700000111.8L29 D30 R37 L63 R66 V68L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 3.4Å; D30-A33 PolarHBondContact O-N 2.9Å; A33-R37 WeakPolarHBondContact O-CB 3.19Å; A33-R37 WeakPolarHBondContact O-CD 3.39Å; A33-R37 WeakPolarHBondContact O-CG 3.29Å; A33-R37 PolarHBondContact O-N 3.45Å; A33-L63 HydrophobicContact CB-CD2 4.19Å; A33-R66 HydrophobicContact CB-CB 3.74Å; A33-R66 HydrophobicContact CB-CG 4.42Å; A33-V68 HydrophobicContact CB-CG2 3.91Å
34H85.5Confident76.6Confident44 Ų4459.5 Ų59.520%0.20432%0.324CS..Hα-helixtrans-64.5-46.9174.8-177.372.6000112.1D2 L3 D30 F31 L32 L36 R37 K38D2-H34 IonicContact OD1-CE1 2.9Å; D2-H34 IonicContact OD1-NE2 3.88Å; L3-H34 HydrophobicContact CD1-CB 4.08Å; D30-H34 VanDerWaalsContact O-CB 3.27Å; D30-H34 WeakPolarHBondContact O-CB 3.3Å; D30-H34 PolarHBondContact O-N 3.48Å; F31-H34 PolarHBondContact O-N 2.98Å; L32-H34 VanDerWaalsContact C-N 3.31Å; L32-H34 PolarHBondContact O-N 2.99Å; H34-L36 VanDerWaalsContact C-N 3.33Å; H34-L36 PolarHBondContact O-N 2.98Å; H34-R37 PolarHBondContact O-N 2.97Å; H34-K38 VanDerWaalsContact O-CB 3.29Å; H34-K38 WeakPolarHBondContact O-CB 3.49Å; H34-K38 PolarHBondContact O-N 3.33Å
35T85.4Confident76.8Confident18 Ų1859 Ų5911%0.1132%0.315CS..Hα-helixtrans-56.9-45.3176-59.10000111.9F31 L32 R39 L113 I115 L142F31-T35 VanDerWaalsContact O-CB 3.31Å; F31-T35 WeakPolarHBondContact O-CB 3.21Å; F31-T35 PolarHBondContact O-N 2.9Å; F31-T35 PolarHBondContact O-OG1 2.77Å; L32-T35 PolarHBondContact O-N 3.32Å; T35-R39 PolarHBondContact O-N 2.88Å; T35-L113 HydrophobicContact CG2-CD2 4.35Å; T35-I115 HydrophobicContact CG2-CD1 4.48Å; T35-L142 HydrophobicContact CG2-CD2 4.35Å
36L85.8Confident77.4Confident21 Ų2156.8 Ų56.811%0.1129%0.29CS..Hα-helixtrans-73.3-25.4-179-67.7170.3000113.8L32 H34 T46 L48 L63 V68 A95 I115L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.46Å; H34-L36 VanDerWaalsContact C-N 3.33Å; H34-L36 PolarHBondContact O-N 2.98Å; L36-T46 HydrophobicContact CD2-CG2 3.68Å; L36-L48 HydrophobicContact CD1-CD1 3.97Å; L36-L48 HydrophobicContact CD1-CD2 4.39Å; L36-L63 HydrophobicContact CD1-CD1 3.96Å; L36-L63 HydrophobicContact CD1-CD2 4.23Å; L36-V68 HydrophobicContact CB-CG1 3.84Å; L36-V68 HydrophobicContact CD1-CG1 3.86Å; L36-V68 HydrophobicContact CG-CG1 4.48Å; L36-A95 HydrophobicContact CD2-CB 3.87Å; L36-I115 HydrophobicContact CD2-CD1 4.3Å
37R81.7Confident77.9Confident140 Ų14054.3 Ų54.353%0.52827%0.27SS..Hα-helixtrans-84.2-30.6173.5-69.9168.7-175167.1-14.7113.2A33 H34 R66 V68A33-R37 WeakPolarHBondContact O-CB 3.19Å; A33-R37 WeakPolarHBondContact O-CD 3.39Å; A33-R37 WeakPolarHBondContact O-CG 3.29Å; A33-R37 PolarHBondContact O-N 3.45Å; H34-R37 PolarHBondContact O-N 2.97Å; R37-R66 VanDerWaalsContact CZ-O 3.25Å; R37-R66 PolarHBondContact NE-O 2.88Å; R37-R66 PolarHBondContact NH2-O 3.1Å; R37-V68 HydrophobicContact CG-CG2 3.89Å
38K75.8Confident78.5Confident130 Ų13053 Ų5357%0.56526%0.259SS*.Hα-helixtrans-75.7-26.6-177.7-173.9170.6-178171.30112.5D2 H34D2-K38 IonicContact OD1-NZ 3.4Å; D2-K38 PolarHBondContact OD1-NZ 3.17Å; D2-K38 IonicContact OD2-NZ 3.15Å; D2-K38 PolarHBondContact OD2-NZ 3.34Å; H34-K38 VanDerWaalsContact O-CB 3.29Å; H34-K38 WeakPolarHBondContact O-CB 3.49Å; H34-K38 PolarHBondContact O-N 3.33Å
39R67.9Low78.9Confident66 Ų6652.4 Ų52.425%0.24926%0.255CS..SBendtrans-87.4132.2172.4-70.1169.3177.7-110.39.6109.4T35 A41 E44 E140T35-R39 PolarHBondContact O-N 2.88Å; R39-A41 PolarHBondContact O-N 3.45Å; R39-A41 VanDerWaalsContact O-N 3.1Å; R39-E44 WeakPolarHBondContact CD-OE2 3.23Å; R39-E44 VanDerWaalsContact CG-OE2 3.27Å; R39-E44 WeakPolarHBondContact CG-OE2 3.5Å; R39-E44 IonicContact CZ-OE2 3.75Å; R39-E44 IonicContact NE-OE2 2.92Å; R39-E44 IonicContact NH1-OE1 2.71Å; R39-E44 IonicContact NH1-OE2 3.5Å; R39-E44 PolarHBondContact NH1-OE2 3.13Å; R39-E140 IonicContact CZ-OE2 3.63Å; R39-E140 IonicContact NH1-OE2 2.67Å; R39-E140 IonicContact NH2-OE2 3.29Å; R39-E140 PolarHBondContact NH2-OE2 2.95Å
40E54.8Low79Confident134 Ų13451.3 Ų51.363%0.62625%0.249SC*.  trans-68110.9179.9-70.2-170.9-177.800110.4N42 I43 E44E40-N42 PolarHBondContact O-N 2.88Å; E40-I43 HydrophobicContact CB-CD1 4.49Å; E40-I43 HydrophobicContact CB-CG1 4.39Å; E40-I43 PolarHBondContact O-N 3.3Å; E40-I43 VanDerWaalsContact OE2-CD1 3.26Å; E40-I43 WeakPolarHBondContact OE2-CD1 3.45Å; E40-E44 PolarHBondContact O-N 2.88Å
41A54.3Low79.2Confident58 Ų5850.6 Ų50.648%0.47924%0.244SC..THydrogen-bonded Turntrans-54-25.2-177.300000113.9R39 N93R39-A41 PolarHBondContact O-N 3.45Å; R39-A41 VanDerWaalsContact O-N 3.1Å; A41-N93 WeakPolarHBondContact O-CB 3.33Å; A41-N93 VanDerWaalsContact O-O 3.13Å
42N52.9Low79.2Confident128 Ų12853.6 Ų53.668%0.68426%0.258SS*.THydrogen-bonded Turntrans-81.6-6.7179.5-67.2-27000114.8E40 N93E40-N42 PolarHBondContact O-N 2.88Å; N42-N93 PolarHBondContact OD1-ND2 3.43Å
43I59.3Low79Confident118 Ų11855.5 Ų55.561%0.60527%0.268SS*.THydrogen-bonded Turntrans-122-37.4-174.7-55-175.3000112.1E40E40-I43 HydrophobicContact CB-CD1 4.49Å; E40-I43 HydrophobicContact CB-CG1 4.39Å; E40-I43 PolarHBondContact O-N 3.3Å; E40-I43 VanDerWaalsContact OE2-CD1 3.26Å; E40-I43 WeakPolarHBondContact OE2-CD1 3.45Å
44E70.2Confident78.8Confident65 Ų6561.5 Ų61.530%0.30429%0.294SS..  trans-110.8114-174.5-66.2-172.1-177.800114R39 E40 T46 N112R39-E44 WeakPolarHBondContact CD-OE2 3.23Å; R39-E44 VanDerWaalsContact CG-OE2 3.27Å; R39-E44 WeakPolarHBondContact CG-OE2 3.5Å; R39-E44 IonicContact CZ-OE2 3.75Å; R39-E44 IonicContact NE-OE2 2.92Å; R39-E44 IonicContact NH1-OE1 2.71Å; R39-E44 IonicContact NH1-OE2 3.5Å; R39-E44 PolarHBondContact NH1-OE2 3.13Å; E40-E44 PolarHBondContact O-N 2.88Å; E44-T46 PolarHBondContact O-N 3.24Å; E44-N112 HydrophobicContact CB-CB 4.26Å; E44-N112 HydrophobicContact CG-CB 4.47Å
45K83.5Confident78.9Confident44 Ų4461 Ų6119%0.19129%0.292CS..  trans-76.2111.9174.5-74.9171.6-177.2161.50110.7W87 S88 E110 N112 L113K45-W87 HydrophobicContact CB-CH2 3.72Å; K45-W87 HydrophobicContact CB-CZ2 3.81Å; K45-W87 HydrophobicContact CB-CZ3 4.47Å; K45-W87 HydrophobicContact CD-CZ3 4.49Å; K45-W87 WeakPolarHBondContact CE-O 3.33Å; K45-W87 HydrophobicContact CG-CH2 4.32Å; K45-W87 HydrophobicContact CG-CZ2 4.25Å; K45-S88 PolarHBondContact NZ-O 3.44Å; K45-E110 WeakPolarHBondContact CD-O 3.4Å; K45-N112 PolarHBondContact N-OD1 3.27Å; K45-N112 PolarHBondContact O-N 3.11Å; K45-L113 PolarHBondContact O-N 3.26Å
46T88.1Confident79Confident7 Ų760.1 Ų60.14%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-109.5134.1-178.7-58.30000112.2L36 E44 A95 L96 L113 I115L36-T46 HydrophobicContact CD2-CG2 3.68Å; E44-T46 PolarHBondContact O-N 3.24Å; T46-A95 HydrophobicContact CG2-CB 4.44Å; T46-A95 WeakPolarHBondContact O-CA 3.26Å; T46-L96 PolarHBondContact O-N 3.23Å; T46-L113 CarbonylContact C-O 3.51Å; T46-L113 WeakPolarHBondContact CA-O 3.5Å; T46-L113 HydrophobicContact CG2-CB 4.18Å; T46-L113 HydrophobicContact CG2-CD2 3.86Å; T46-L113 HydrophobicContact CG2-CG 4.13Å; T46-I115 HydrophobicContact CG2-CD1 3.87Å; T46-I115 HydrophobicContact CG2-CG1 4.1Å
47I90.8Very high79.1Confident0 Ų064.1 Ų64.10%031%0.305CS..EExtended strand (participates in β ladder)trans-111.8136.7172.9-56.8-175.5000109.7I49 W87 L96 L98 L106 V109 A111 L113 V114 I115I47-I49 HydrophobicContact CG2-CD1 4.42Å; I47-I49 HydrophobicContact CG2-CG1 3.88Å; I47-W87 HydrophobicContact CD1-CH2 3.88Å; I47-W87 HydrophobicContact CD1-CZ3 4.18Å; I47-W87 HydrophobicContact CG1-CH2 3.52Å; I47-W87 HydrophobicContact CG1-CZ2 4.08Å; I47-W87 HydrophobicContact CG1-CZ3 4.29Å; I47-L96 CarbonylContact C-O 3.56Å; I47-L96 WeakPolarHBondContact CA-O 3.42Å; I47-L98 HydrophobicContact CG2-CD2 3.61Å; I47-L98 HydrophobicContact CG2-CG 4.19Å; I47-L106 HydrophobicContact CD1-CD2 3.99Å; I47-V109 HydrophobicContact CD1-CG2 4.23Å; I47-A111 HydrophobicContact CD1-CB 3.73Å; I47-A111 HydrophobicContact CG1-CB 3.96Å; I47-L113 PolarHBondContact N-O 3.37Å; I47-V114 HydrophobicContact CB-CG2 4.39Å; I47-V114 CarbonylContact O-C 3.58Å; I47-V114 WeakPolarHBondContact O-CA 3.35Å; I47-I115 PolarHBondContact O-N 2.81Å
48L92.5Very high79.4Confident0 Ų065.2 Ų65.20%031%0.309CS..EExtended strand (participates in β ladder)trans-115.2120.5176.4-70.8145.5000108.2L32 L36 L59 L63 T70 A95 L96 I97 L98 I115 T117L32-L48 HydrophobicContact CD2-CD2 3.7Å; L36-L48 HydrophobicContact CD1-CD1 3.97Å; L36-L48 HydrophobicContact CD1-CD2 4.39Å; L48-L59 HydrophobicContact CB-CD2 4.24Å; L48-L59 HydrophobicContact CD2-CD2 4.37Å; L48-L63 HydrophobicContact CD1-CD1 4.13Å; L48-T70 HydrophobicContact CD1-CG2 4.35Å; L48-A95 HydrophobicContact CD1-CB 3.84Å; L48-L96 PolarHBondContact N-O 3.32Å; L48-I97 HydrophobicContact CB-CB 4.39Å; L48-I97 HydrophobicContact CB-CG1 3.91Å; L48-I97 HydrophobicContact CB-CG2 4.49Å; L48-I97 HydrophobicContact CD1-CD1 4.39Å; L48-I97 HydrophobicContact CD1-CG1 3.65Å; L48-I97 HydrophobicContact CG-CG1 4.42Å; L48-I97 WeakPolarHBondContact O-CA 3.1Å; L48-L98 PolarHBondContact O-N 3.42Å; L48-I115 WeakPolarHBondContact CA-O 3.29Å; L48-I115 HydrophobicContact CD2-CB 3.99Å; L48-I115 HydrophobicContact CD2-CD1 4.01Å; L48-I115 HydrophobicContact CD2-CG1 4.46Å; L48-I115 HydrophobicContact CD2-CG2 4.33Å; L48-T117 HydrophobicContact CD2-CG2 3.82Å
49I91.8Very high80Confident0 Ų059.6 Ų59.60%029%0.285CS..EExtended strand (participates in β ladder)trans-114.7117.9-174.4-51.7176.2000110I47 L98 L103 V114 I115 T117 L132I47-I49 HydrophobicContact CG2-CD1 4.42Å; I47-I49 HydrophobicContact CG2-CG1 3.88Å; I49-L98 WeakPolarHBondContact CA-O 3.49Å; I49-L98 HydrophobicContact CG1-CD1 4.13Å; I49-L98 HydrophobicContact CG1-CG 4.47Å; I49-L98 HydrophobicContact CG2-CD1 4.17Å; I49-L103 HydrophobicContact CD1-CD2 4.15Å; I49-V114 HydrophobicContact CD1-CG1 3.42Å; I49-V114 VanDerWaalsContact CD1-CG1 3.42Å; I49-V114 HydrophobicContact CG1-CG1 4.13Å; I49-I115 PolarHBondContact N-O 3.38Å; I49-T117 PolarHBondContact O-N 3.43Å; I49-T117 PolarHBondContact O-OG1 3.01Å; I49-L132 HydrophobicContact CD1-CD1 3.7Å; I49-L132 HydrophobicContact CD1-CD2 3.77Å; I49-L132 HydrophobicContact CD1-CG 4.25Å
50C91.3Very high81.1Confident1 Ų160.5 Ų60.51%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-102165169.3-45.50000110.5E55 A56 L59 L98 C99 D100 T117 T118C50-E55 HydrophobicContact CB-CB 3.73Å; C50-A56 HydrophobicContact CB-CB 4.19Å; C50-L59 VanDerWaalsContact SG-CD2 3.6Å; C50-L98 PolarHBondContact N-O 2.88Å; C50-C99 CarbonylContact O-C 3.42Å; C50-C99 VanDerWaalsContact O-CA 3.24Å; C50-C99 WeakPolarHBondContact O-CA 3.34Å; C50-D100 PolarHBondContact O-N 3.15Å; C50-D100 VanDerWaalsContact O-N 3.15Å; C50-T117 PolarHBondContact SG-OG1 3.26Å; C50-T118 WeakPolarHBondContact CA-OG1 3.48Å
51Q88.7Confident82.7Confident55 Ų5560.1 Ų60.126%0.25729%0.287SS..SBendtrans-77.8-45.3175.4-170.8177.89.400110.7E55 D100 T118 P120Q51-E55 PolarHBondContact N-OE2 3.34Å; Q51-D100 WeakPolarHBondContact CA-OD2 3.09Å; Q51-T118 PolarHBondContact N-OG1 3.15Å; Q51-P120 HydrophobicContact CG-CB 4.18Å
52Q86.4Confident84.4Confident92 Ų9258.9 Ų58.943%0.4327%0.271SS..SBendtrans-122154-172.8-53.1-164.519.700113F54 E55 A56Q52-F54 VanDerWaalsContact C-N 3.33Å; Q52-F54 HydrophobicContact CB-CD1 4.15Å; Q52-F54 HydrophobicContact CB-CE1 4Å; Q52-F54 PolarHBondContact O-N 3.42Å; Q52-E55 HydrophobicContact CB-CG 4.28Å; Q52-E55 PolarHBondContact N-OE2 2.8Å; Q52-E55 WeakPolarHBondContact O-CB 3.48Å; Q52-E55 PolarHBondContact O-N 3.05Å; Q52-E55 VanDerWaalsContact O-N 3.14Å; Q52-A56 PolarHBondContact O-N 3.42Å
53N85.4Confident86Confident43 Ų4352.8 Ų52.823%0.2324%0.239CC..Hα-helixtrans-62.8-35.1-176.4179.866.6000113.3E55 A56 E57 P75N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.05Å; N53-A56 WeakPolarHBondContact O-CB 3.13Å; N53-A56 PolarHBondContact O-N 3.33Å; N53-E57 PolarHBondContact ND2-OE1 3.04Å; N53-E57 PolarHBondContact O-N 3.21Å; N53-P75 HydrophobicContact CB-CG 4.08Å; N53-P75 WeakPolarHBondContact OD1-CD 3.49Å
54F82.8Confident87.2Confident127 Ų12749.8 Ų49.856%0.55723%0.232SC*.Hα-helixtrans-67.8-29.4177.774.7-107.2000112.3Q52 R58Q52-F54 VanDerWaalsContact C-N 3.33Å; Q52-F54 HydrophobicContact CB-CD1 4.15Å; Q52-F54 HydrophobicContact CB-CE1 4Å; Q52-F54 PolarHBondContact O-N 3.42Å; F54-R58 VanDerWaalsContact O-CB 3.28Å; F54-R58 WeakPolarHBondContact O-CB 3.39Å; F54-R58 PolarHBondContact O-N 2.74Å
55E87.7Confident87.9Confident34 Ų3452.6 Ų52.616%0.15925%0.245CC..Hα-helixtrans-66.9-43.2173.6-61.5167.9-165.400109.8C50 Q51 Q52 N53 R58 L59 T118C50-E55 HydrophobicContact CB-CB 3.73Å; Q51-E55 PolarHBondContact N-OE2 3.34Å; Q52-E55 HydrophobicContact CB-CG 4.28Å; Q52-E55 PolarHBondContact N-OE2 2.8Å; Q52-E55 WeakPolarHBondContact O-CB 3.48Å; Q52-E55 PolarHBondContact O-N 3.05Å; Q52-E55 VanDerWaalsContact O-N 3.14Å; N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.05Å; E55-R58 PolarHBondContact O-N 3.3Å; E55-L59 WeakPolarHBondContact O-CB 3.44Å; E55-L59 PolarHBondContact O-N 2.74Å; E55-T118 PolarHBondContact OE2-OG1 3.08Å
56A87.6Confident88Confident0 Ų052.6 Ų52.60%024%0.244CC..Hα-helixtrans-64.7-40177.300000112.3C50 Q52 N53 K60 L72 I97C50-A56 HydrophobicContact CB-CB 4.19Å; Q52-A56 PolarHBondContact O-N 3.42Å; N53-A56 WeakPolarHBondContact O-CB 3.13Å; N53-A56 PolarHBondContact O-N 3.33Å; A56-K60 WeakPolarHBondContact O-CB 3.36Å; A56-K60 PolarHBondContact O-N 3.28Å; A56-K60 VanDerWaalsContact O-N 3.1Å; A56-L72 HydrophobicContact CB-CD1 3.48Å; A56-L72 VanDerWaalsContact CB-CD1 3.48Å; A56-I97 HydrophobicContact CB-CG2 3.77Å
57E87.4Confident87.7Confident104 Ų10458.7 Ų58.749%0.48628%0.276SS..Hα-helixtrans-64.7-44.1171.5-75178.4-167.400112.5N53 K60 F61 L72N53-E57 PolarHBondContact ND2-OE1 3.04Å; N53-E57 PolarHBondContact O-N 3.21Å; E57-K60 PolarHBondContact O-N 3.02Å; E57-F61 PolarHBondContact O-N 3.09Å; E57-L72 HydrophobicContact CB-CD2 4.33Å; E57-L72 HydrophobicContact CG-CD2 3.46Å; E57-L72 VanDerWaalsContact CG-CD2 3.46Å
58R88Confident87.4Confident164 Ų16459.3 Ų59.362%0.61928%0.28SS*.Hα-helixtrans-64.1-47.8176.4-178.4179.6175.9-172.3-2.2111.6F54 E55 K60 F61 E62F54-R58 VanDerWaalsContact O-CB 3.28Å; F54-R58 WeakPolarHBondContact O-CB 3.39Å; F54-R58 PolarHBondContact O-N 2.74Å; E55-R58 PolarHBondContact O-N 3.3Å; R58-K60 VanDerWaalsContact C-N 3.29Å; R58-K60 PolarHBondContact O-N 3.07Å; R58-F61 WeakPolarHBondContact O-CB 3.13Å; R58-F61 PolarHBondContact O-N 3.23Å; R58-E62 HydrophobicContact CG-CG 4.02Å; R58-E62 IonicContact CZ-OE1 2.67Å; R58-E62 IonicContact NE-OE1 2.68Å; R58-E62 PolarHBondContact NE-OE1 3.2Å; R58-E62 IonicContact NH2-OE1 2.75Å; R58-E62 PolarHBondContact NH2-OE1 2.91Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.23Å; R58-E62 PolarHBondContact O-N 3.04Å
59L88.9Confident86.8Confident11 Ų1164.8 Ų64.86%0.05831%0.309CS..Hα-helixtrans-58.4-41.5179.2178.464.1000111.3L29 L32 L48 C50 E55 F61 E62 L63 I97 T117L29-L59 HydrophobicContact CD2-CD1 3.7Å; L32-L59 HydrophobicContact CD1-CD1 4.05Å; L48-L59 HydrophobicContact CB-CD2 4.24Å; L48-L59 HydrophobicContact CD2-CD2 4.37Å; C50-L59 VanDerWaalsContact SG-CD2 3.6Å; E55-L59 WeakPolarHBondContact O-CB 3.44Å; E55-L59 PolarHBondContact O-N 2.74Å; L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 2.96Å; L59-E62 PolarHBondContact O-N 3.26Å; L59-L63 HydrophobicContact CD1-CD1 3.85Å; L59-L63 HydrophobicContact CD1-CG 3.99Å; L59-L63 HydrophobicContact CG-CD1 3.91Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 VanDerWaalsContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 2.95Å; L59-I97 HydrophobicContact CD2-CD1 4.37Å; L59-I97 HydrophobicContact CD2-CG1 4.47Å; L59-I97 HydrophobicContact CD2-CG2 4.09Å; L59-I97 HydrophobicContact CG-CD1 4.22Å; L59-T117 HydrophobicContact CD2-CG2 3.79Å
60K91.5Very high86.7Confident85 Ų8565.2 Ų65.237%0.3731%0.312SS..Hα-helixtrans-59.4-42.2174.1177.1168.9176-174.50112.3A56 E57 R58 A64 L72 I97A56-K60 WeakPolarHBondContact O-CB 3.36Å; A56-K60 PolarHBondContact O-N 3.28Å; A56-K60 VanDerWaalsContact O-N 3.1Å; E57-K60 PolarHBondContact O-N 3.02Å; R58-K60 VanDerWaalsContact C-N 3.29Å; R58-K60 PolarHBondContact O-N 3.07Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 2.76Å; K60-A64 VanDerWaalsContact O-N 3.11Å; K60-L72 HydrophobicContact CD-CB 3.57Å; K60-I97 HydrophobicContact CB-CD1 3.78Å
61F87.5Confident86.6Confident126 Ų12666.7 Ų66.755%0.55332%0.319SS*.Hα-helixtrans-67.2-49.6178.1-175.5-90.8000111.4E57 R58 L59 L63 A64 E65E57-F61 PolarHBondContact O-N 3.09Å; R58-F61 WeakPolarHBondContact O-CB 3.13Å; R58-F61 PolarHBondContact O-N 3.23Å; L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 2.96Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 2.91Å; F61-A64 WeakPolarHBondContact O-CB 3.24Å; F61-A64 PolarHBondContact O-N 3.41Å; F61-E65 HydrophobicContact CD1-CG 4.34Å; F61-E65 HydrophobicContact CE1-CG 3.91Å; F61-E65 VanDerWaalsContact CE1-OE1 3.24Å; F61-E65 WeakPolarHBondContact CE1-OE1 3.45Å; F61-E65 HydrophobicContact CZ-CG 4.25Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.34Å; F61-E65 PolarHBondContact O-N 3.44Å
62E89.5Confident86.7Confident32 Ų3265.3 Ų65.315%0.1531%0.314CS..Hα-helixtrans-61.7-33.7-180-66.7-89.6-167.100113.1L29 R58 L59 R66L29-E62 HydrophobicContact CD1-CB 3.98Å; L29-E62 HydrophobicContact CD1-CG 4Å; L29-E62 WeakPolarHBondContact CD1-OE2 3.42Å; L29-E62 HydrophobicContact CD2-CB 3.88Å; L29-E62 HydrophobicContact CD2-CG 4.49Å; R58-E62 HydrophobicContact CG-CG 4.02Å; R58-E62 IonicContact CZ-OE1 2.67Å; R58-E62 IonicContact NE-OE1 2.68Å; R58-E62 PolarHBondContact NE-OE1 3.2Å; R58-E62 IonicContact NH2-OE1 2.75Å; R58-E62 PolarHBondContact NH2-OE1 2.91Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.23Å; R58-E62 PolarHBondContact O-N 3.04Å; L59-E62 PolarHBondContact O-N 3.26Å; E62-R66 WeakPolarHBondContact O-CD 3.41Å; E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-NH1 3.35Å; E62-R66 IonicContact OE2-CZ 3.57Å; E62-R66 IonicContact OE2-NH1 2.95Å; E62-R66 PolarHBondContact OE2-NH1 3.28Å; E62-R66 IonicContact OE2-NH2 3.2Å
63L86.5Confident86.5Confident0 Ų061 Ų610%029%0.293CS..Hα-helixtrans-76.5-32.7173.5-73176.8000112.5L32 A33 L36 L48 L59 F61 R66 D67 V68 T70 I97L32-L63 HydrophobicContact CB-CD2 4.08Å; A33-L63 HydrophobicContact CB-CD2 4.19Å; L36-L63 HydrophobicContact CD1-CD1 3.96Å; L36-L63 HydrophobicContact CD1-CD2 4.23Å; L48-L63 HydrophobicContact CD1-CD1 4.13Å; L59-L63 HydrophobicContact CD1-CD1 3.85Å; L59-L63 HydrophobicContact CD1-CG 3.99Å; L59-L63 HydrophobicContact CG-CD1 3.91Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 VanDerWaalsContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 2.95Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 2.91Å; L63-R66 CarbonylContact O-C 3.57Å; L63-R66 WeakPolarHBondContact O-CA 3.25Å; L63-R66 PolarHBondContact O-N 3.17Å; L63-R66 VanDerWaalsContact O-N 3.1Å; L63-D67 PolarHBondContact O-N 3.17Å; L63-V68 CarbonylContact C-O 3.59Å; L63-V68 HydrophobicContact CB-CB 4.25Å; L63-V68 PolarHBondContact O-N 3.01Å; L63-T70 HydrophobicContact CB-CG2 4.39Å; L63-T70 HydrophobicContact CD1-CG2 3.88Å; L63-I97 HydrophobicContact CD1-CD1 4.29Å
64A84.6Confident86Confident55 Ų5561.9 Ų61.946%0.45530%0.301SS..Hα-helixtrans-69.6-36.4175.200000112.5K60 F61 R66 D67K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 2.76Å; K60-A64 VanDerWaalsContact O-N 3.11Å; F61-A64 WeakPolarHBondContact O-CB 3.24Å; F61-A64 PolarHBondContact O-N 3.41Å; A64-R66 PolarHBondContact O-N 2.78Å; A64-D67 PolarHBondContact O-N 3.39Å; A64-D67 VanDerWaalsContact O-N 3.14Å
65E85.1Confident85.3Confident125 Ų12557.9 Ų57.958%0.58429%0.288SS*.THydrogen-bonded Turntrans-64.1-18.8169.2-68.6-166.5143.900112.7F61F61-E65 HydrophobicContact CD1-CG 4.34Å; F61-E65 HydrophobicContact CE1-CG 3.91Å; F61-E65 VanDerWaalsContact CE1-OE1 3.24Å; F61-E65 WeakPolarHBondContact CE1-OE1 3.45Å; F61-E65 HydrophobicContact CZ-CG 4.25Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.34Å; F61-E65 PolarHBondContact O-N 3.44Å
66R86.2Confident84.2Confident44 Ų4464.8 Ų64.817%0.16632%0.32CS..THydrogen-bonded Turntrans-103.329.5174.4-63.6169.1175.382.7-1.9111.9D30 A33 R37 E62 L63 A64 V68D30-R66 IonicContact OD1-CZ 2.72Å; D30-R66 IonicContact OD1-NE 2.77Å; D30-R66 PolarHBondContact OD1-NE 3.12Å; D30-R66 IonicContact OD1-NH2 2.7Å; A33-R66 HydrophobicContact CB-CB 3.74Å; A33-R66 HydrophobicContact CB-CG 4.42Å; R37-R66 VanDerWaalsContact CZ-O 3.25Å; R37-R66 PolarHBondContact NE-O 2.88Å; R37-R66 PolarHBondContact NH2-O 3.1Å; E62-R66 WeakPolarHBondContact O-CD 3.41Å; E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-NH1 3.35Å; E62-R66 IonicContact OE2-CZ 3.57Å; E62-R66 IonicContact OE2-NH1 2.95Å; E62-R66 PolarHBondContact OE2-NH1 3.28Å; E62-R66 IonicContact OE2-NH2 3.2Å; L63-R66 CarbonylContact O-C 3.57Å; L63-R66 WeakPolarHBondContact O-CA 3.25Å; L63-R66 PolarHBondContact O-N 3.17Å; L63-R66 VanDerWaalsContact O-N 3.1Å; A64-R66 PolarHBondContact O-N 2.78Å; R66-V68 WeakPolarHBondContact O-CG2 3.46Å; R66-V68 PolarHBondContact O-N 3.24Å
67D82.4Confident83.2Confident135 Ų13566 Ų6672%0.72233%0.333SS*.THydrogen-bonded Turntrans53.921.7176.5-62.3-51000115.5L63 A64L63-D67 PolarHBondContact O-N 3.17Å; A64-D67 PolarHBondContact O-N 3.39Å; A64-D67 VanDerWaalsContact O-N 3.14Å
68V82.8Confident82.2Confident12 Ų1266.2 Ų66.27%0.07335%0.352CS..  trans-104.1107.3176.6-177.10000110.1A33 L36 R37 L63 R66 T70A33-V68 HydrophobicContact CB-CG2 3.91Å; L36-V68 HydrophobicContact CB-CG1 3.84Å; L36-V68 HydrophobicContact CD1-CG1 3.86Å; L36-V68 HydrophobicContact CG-CG1 4.48Å; R37-V68 HydrophobicContact CG-CG2 3.89Å; L63-V68 CarbonylContact C-O 3.59Å; L63-V68 HydrophobicContact CB-CB 4.25Å; L63-V68 PolarHBondContact O-N 3.01Å; R66-V68 WeakPolarHBondContact O-CG2 3.46Å; R66-V68 PolarHBondContact O-N 3.24Å; V68-T70 HydrophobicContact CG1-CG2 3.94Å; V68-T70 PolarHBondContact O-N 3.33Å
69N81.8Confident81.3Confident116 Ų11663.7 Ų63.762%0.6235%0.349SS*.  trans-74.8117.7177.1-72-62.6000111Q94N69-Q94 HydrophobicContact CB-CG 4.33Å
70T89.4Confident80.9Confident8 Ų864 Ų645%0.04935%0.351CS..EExtended strand (participates in β ladder)trans-129.7154.3-177.857.30000112.2L48 L63 V68 A95 I97L48-T70 HydrophobicContact CD1-CG2 4.35Å; L63-T70 HydrophobicContact CB-CG2 4.39Å; L63-T70 HydrophobicContact CD1-CG2 3.88Å; V68-T70 HydrophobicContact CG1-CG2 3.94Å; V68-T70 PolarHBondContact O-N 3.33Å; T70-A95 WeakPolarHBondContact CA-O 3.25Å; T70-A95 HydrophobicContact CG2-CB 4.28Å; T70-I97 HydrophobicContact CG2-CD1 4.08Å; T70-I97 HydrophobicContact CG2-CG1 4.49Å; T70-I97 VanDerWaalsContact OG1-CD1 3.27Å; T70-I97 WeakPolarHBondContact OG1-CD1 3.39Å
71I89.4Confident80.2Confident33 Ų3362.4 Ų62.417%0.16936%0.359CS..EExtended strand (participates in β ladder)trans-110.7115176.6-69.6169.9000109.2V83 I92 Q94 A95 L96 I97I71-V83 HydrophobicContact CG2-CG1 3.94Å; I71-I92 HydrophobicContact CD1-CD1 4.49Å; I71-I92 HydrophobicContact CD1-CG2 3.17Å; I71-Q94 HydrophobicContact CD1-CB 4.01Å; I71-Q94 HydrophobicContact CG1-CB 4.11Å; I71-Q94 VanDerWaalsContact CG1-OE1 3.28Å; I71-A95 PolarHBondContact N-O 2.97Å; I71-L96 HydrophobicContact CB-CD1 4.31Å; I71-L96 HydrophobicContact CG2-CD1 4Å; I71-L96 CarbonylContact O-C 3.59Å; I71-L96 WeakPolarHBondContact O-CA 3.29Å; I71-I97 PolarHBondContact O-N 2.96Å
72L89.4Confident79.8Confident26 Ų2661.8 Ų61.814%0.13636%0.358CS..EExtended strand (participates in β ladder)trans-79.1130.8166.8174.965.9000109.7A56 E57 K60 P74 I97A56-L72 HydrophobicContact CB-CD1 3.48Å; A56-L72 VanDerWaalsContact CB-CD1 3.48Å; E57-L72 HydrophobicContact CB-CD2 4.33Å; E57-L72 HydrophobicContact CG-CD2 3.46Å; E57-L72 VanDerWaalsContact CG-CD2 3.46Å; K60-L72 HydrophobicContact CD-CB 3.57Å; L72-P74 VanDerWaalsContact O-CD 3.32Å; L72-P74 WeakPolarHBondContact O-CD 3.45Å; L72-I97 WeakPolarHBondContact CA-O 3.3Å; L72-I97 HydrophobicContact CD1-CB 4.28Å; L72-I97 HydrophobicContact CD1-CG2 4.07Å
73L83.3Confident79.5Confident1 Ų162.1 Ų62.11%0.00536%0.362CS..  trans-89.3103.8168.7-145.383.9000108.9V80 V83 L84 L96 I97 L98 M102L73-V80 HydrophobicContact CD2-CG1 3.94Å; L73-V80 HydrophobicContact CG-CG1 4.3Å; L73-V80 HydrophobicContact CG-CG2 4.34Å; L73-V83 HydrophobicContact CD1-CB 4.24Å; L73-V83 HydrophobicContact CD1-CG1 3.87Å; L73-L84 HydrophobicContact CD1-CD2 3.98Å; L73-L84 HydrophobicContact CD1-CG 3.99Å; L73-L84 HydrophobicContact CD2-CD1 4.03Å; L73-L84 HydrophobicContact CD2-CD2 3.89Å; L73-L84 HydrophobicContact CD2-CG 4.01Å; L73-L96 HydrophobicContact CD1-CD1 4.01Å; L73-I97 PolarHBondContact N-O 3.23Å; L73-L98 HydrophobicContact CB-CB 4.31Å; L73-M102 HydrophobicContact CD2-CB 4.49Å; L73-M102 HydrophobicContact CD2-CE 3.85Å; L73-M102 HydrophobicContact CG-CE 4.41Å
74P73.2Confident79.4Confident61 Ų6162.7 Ų62.740%0.39637%0.365SS..  trans-77139.8-175.231-34.8000111.3L72 H76 G77 V80L72-P74 VanDerWaalsContact O-CD 3.32Å; L72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-H76 PolarHBondContact O-N 3.31Å; P74-G77 PolarHBondContact O-N 3.44Å; P74-V80 WeakPolarHBondContact O-CG2 3.45Å
75P68.6Low79.2Confident43 Ų4364.5 Ų64.528%0.27937%0.366SS..THydrogen-bonded Turntrans-59.7132.9172.125.4-33000110.9N53 G77 M102N53-P75 HydrophobicContact CB-CG 4.08Å; N53-P75 WeakPolarHBondContact OD1-CD 3.49Å; P75-G77 VanDerWaalsContact C-N 3.27Å; P75-G77 PolarHBondContact O-N 2.86Å; P75-M102 VanDerWaalsContact CA-SD 3.55Å; P75-M102 HydrophobicContact CB-SD 4.01Å
76H65.9Low79Confident179 Ų17962.3 Ų62.383%0.82936%0.359SS*.THydrogen-bonded Turntrans63.320.2-178.9-39.1-63.3000116P74 A78P74-H76 PolarHBondContact O-N 3.31Å; H76-A78 PolarHBondContact O-N 2.84Å
77G66.3Low79Confident26 Ų2660.3 Ų60.327%0.26835%0.351SS..  trans-68.3123.3172.600000113P74 P75 M79 V80P74-G77 PolarHBondContact O-N 3.44Å; P75-G77 VanDerWaalsContact C-N 3.27Å; P75-G77 PolarHBondContact O-N 2.86Å; G77-M79 PolarHBondContact O-N 2.83Å; G77-V80 WeakPolarHBondContact O-CB 3.35Å; G77-V80 WeakPolarHBondContact O-CG2 3.47Å; G77-V80 PolarHBondContact O-N 2.86Å
78A65.9Low78.9Confident108 Ų10855.5 Ų55.589%0.89333%0.328SS*.THydrogen-bonded Turntrans-60-9.6178.300000115.3H76H76-A78 PolarHBondContact O-N 2.84Å
79M69.5Low78.7Confident112 Ų11261.4 Ų61.455%0.55235%0.353SS*.THydrogen-bonded Turntrans-106.30.2179-57.6-68.6-74.100113.2G77 G81 Q82 V83G77-M79 PolarHBondContact O-N 2.83Å; M79-G81 PolarHBondContact O-N 2.85Å; M79-Q82 PolarHBondContact O-N 3.48Å; M79-V83 PolarHBondContact O-N 2.9Å
80V79.1Confident78.3Confident16 Ų1657.5 Ų57.510%0.09734%0.34CS..Hα-helixtrans-51.1-52-173.81610000112.1L73 P74 G77 Q82 V83 L84 M102 H105L73-V80 HydrophobicContact CD2-CG1 3.94Å; L73-V80 HydrophobicContact CG-CG1 4.3Å; L73-V80 HydrophobicContact CG-CG2 4.34Å; P74-V80 WeakPolarHBondContact O-CG2 3.45Å; G77-V80 WeakPolarHBondContact O-CB 3.35Å; G77-V80 WeakPolarHBondContact O-CG2 3.47Å; G77-V80 PolarHBondContact O-N 2.86Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 2.87Å; V80-V83 PolarHBondContact O-N 2.86Å; V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 WeakPolarHBondContact O-CG 3.44Å; V80-L84 PolarHBondContact O-N 3.47Å; V80-M102 HydrophobicContact CG1-CE 3.81Å; V80-M102 HydrophobicContact CG2-CE 3.91Å; V80-H105 HydrophobicContact CG1-CB 4.45Å
81G77.7Confident77.7Confident53 Ų5365.4 Ų65.455%0.54637%0.37SS..Hα-helixtrans-63.3-30179.100000114.2M79 L85M79-G81 PolarHBondContact O-N 2.85Å; G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.43Å; G81-L85 PolarHBondContact O-N 2.89Å
82Q79.6Confident77.3Confident112 Ų11265.5 Ų65.552%0.52337%0.371SS..Hα-helixtrans-75.6-39.5176-65.3-175.52.300111.8M79 V80 L85 L86M79-Q82 PolarHBondContact O-N 3.48Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 2.87Å; Q82-L85 PolarHBondContact O-N 3.33Å; Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 VanDerWaalsContact O-CG 3.28Å; Q82-L86 WeakPolarHBondContact O-CG 3.44Å; Q82-L86 PolarHBondContact O-N 3.25Å
83V82.3Confident76.8Confident40 Ų4067.4 Ų67.424%0.24238%0.381CS..Hα-helixtrans-64.5-46.6175.9174.90000110.3I71 L73 M79 V80 L85 L86 W87I71-V83 HydrophobicContact CG2-CG1 3.94Å; L73-V83 HydrophobicContact CD1-CB 4.24Å; L73-V83 HydrophobicContact CD1-CG1 3.87Å; M79-V83 PolarHBondContact O-N 2.9Å; V80-V83 PolarHBondContact O-N 2.86Å; V83-L85 PolarHBondContact O-N 3.34Å; V83-L86 PolarHBondContact O-N 2.9Å; V83-W87 VanDerWaalsContact O-CB 3.29Å; V83-W87 WeakPolarHBondContact O-CB 3.39Å; V83-W87 PolarHBondContact O-N 3.24Å
84L84.2Confident76.9Confident12 Ų1271.1 Ų71.16%0.06340%0.398CS..Hα-helixtrans-60.1-42.2175.3-72.6173.2000112.3L73 V80 W87 S88 L96 H105 L106L73-L84 HydrophobicContact CD1-CD2 3.98Å; L73-L84 HydrophobicContact CD1-CG 3.99Å; L73-L84 HydrophobicContact CD2-CD1 4.03Å; L73-L84 HydrophobicContact CD2-CD2 3.89Å; L73-L84 HydrophobicContact CD2-CG 4.01Å; V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 WeakPolarHBondContact O-CG 3.44Å; V80-L84 PolarHBondContact O-N 3.47Å; L84-W87 PolarHBondContact O-N 3.35Å; L84-S88 VanDerWaalsContact O-CB 3.3Å; L84-S88 WeakPolarHBondContact O-CB 3.15Å; L84-S88 PolarHBondContact O-N 2.88Å; L84-S88 PolarHBondContact O-OG 3.41Å; L84-S88 VanDerWaalsContact O-OG 3.13Å; L84-L96 HydrophobicContact CD2-CD2 3.82Å; L84-H105 WeakPolarHBondContact CD1-O 3.37Å; L84-L106 HydrophobicContact CD2-CD1 4.05Å
85L80.7Confident77.6Confident92 Ų9268.8 Ų68.848%0.48238%0.384SS..Hα-helixtrans-66.1-37.2177.7-177.465.1000113.2G81 Q82 V83 S88 K89G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.43Å; G81-L85 PolarHBondContact O-N 2.89Å; Q82-L85 PolarHBondContact O-N 3.33Å; V83-L85 PolarHBondContact O-N 3.34Å; L85-S88 PolarHBondContact O-OG 2.95Å; L85-K89 HydrophobicContact CD1-CD 4.32Å; L85-K89 WeakPolarHBondContact O-CB 3.37Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.99Å
86L80.9Confident78.7Confident80 Ų8066.7 Ų66.742%0.41937%0.371SS..Hα-helixtrans-73.2-37.7177.2-71.4171.2000111.6Q82 V83 G90 Y91 I92Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 VanDerWaalsContact O-CG 3.28Å; Q82-L86 WeakPolarHBondContact O-CG 3.44Å; Q82-L86 PolarHBondContact O-N 3.25Å; V83-L86 PolarHBondContact O-N 2.9Å; L86-G90 PolarHBondContact O-N 3.35Å; L86-Y91 HydrophobicContact CD2-CD2 3.87Å; L86-Y91 HydrophobicContact CD2-CG 4.24Å; L86-Y91 WeakPolarHBondContact O-CB 3.34Å; L86-Y91 PolarHBondContact O-N 3.25Å; L86-I92 HydrophobicContact CB-CD1 3.52Å; L86-I92 HydrophobicContact CB-CG1 3.92Å; L86-I92 HydrophobicContact CD1-CD1 4.36Å
87W86.9Confident79.9Confident1 Ų158.2 Ų58.20%0.00433%0.331CS..Hα-helixtrans-68.4-47.3175.7-170.686.6000112.2K45 I47 V83 L84 K89 G90 I92 Q94 L96 V109 A111K45-W87 HydrophobicContact CB-CH2 3.72Å; K45-W87 HydrophobicContact CB-CZ2 3.81Å; K45-W87 HydrophobicContact CB-CZ3 4.47Å; K45-W87 HydrophobicContact CD-CZ3 4.49Å; K45-W87 WeakPolarHBondContact CE-O 3.33Å; K45-W87 HydrophobicContact CG-CH2 4.32Å; K45-W87 HydrophobicContact CG-CZ2 4.25Å; I47-W87 HydrophobicContact CD1-CH2 3.88Å; I47-W87 HydrophobicContact CD1-CZ3 4.18Å; I47-W87 HydrophobicContact CG1-CH2 3.52Å; I47-W87 HydrophobicContact CG1-CZ2 4.08Å; I47-W87 HydrophobicContact CG1-CZ3 4.29Å; V83-W87 VanDerWaalsContact O-CB 3.29Å; V83-W87 WeakPolarHBondContact O-CB 3.39Å; V83-W87 PolarHBondContact O-N 3.24Å; L84-W87 PolarHBondContact O-N 3.35Å; W87-K89 VanDerWaalsContact C-N 3.26Å; W87-K89 PolarHBondContact O-N 2.65Å; W87-G90 PolarHBondContact O-N 3.44Å; W87-I92 HydrophobicContact CB-CB 4.33Å; W87-Q94 PolarHBondContact NE1-O 3.18Å; W87-L96 HydrophobicContact CD2-CB 4.39Å; W87-L96 HydrophobicContact CD2-CD2 4.17Å; W87-L96 HydrophobicContact CE3-CD2 4.22Å; W87-L96 HydrophobicContact CZ2-CB 3.9Å; W87-L96 HydrophobicContact CZ3-CD2 4.47Å; W87-V109 HydrophobicContact CZ3-CB 4.27Å; W87-A111 HydrophobicContact CH2-CB 4.33Å
88S79.3Confident81.1Confident35 Ų3557 Ų5725%0.24532%0.318CS..Hα-helixtrans-62.9-32.2177.769.80000112.7K45 L84 L85 G90K45-S88 PolarHBondContact NZ-O 3.44Å; L84-S88 VanDerWaalsContact O-CB 3.3Å; L84-S88 WeakPolarHBondContact O-CB 3.15Å; L84-S88 PolarHBondContact O-N 2.88Å; L84-S88 PolarHBondContact O-OG 3.41Å; L84-S88 VanDerWaalsContact O-OG 3.13Å; L85-S88 PolarHBondContact O-OG 2.95Å; S88-G90 VanDerWaalsContact C-N 3.32Å; S88-G90 PolarHBondContact O-N 2.99Å
89K79.4Confident82.3Confident136 Ų13652.1 Ų52.159%0.59128%0.278SS*.THydrogen-bonded Turntrans-81.51173.4-70.9-172.4175.7-170.60115.3L85 W87 Y91L85-K89 HydrophobicContact CD1-CD 4.32Å; L85-K89 WeakPolarHBondContact O-CB 3.37Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.99Å; W87-K89 VanDerWaalsContact C-N 3.26Å; W87-K89 PolarHBondContact O-N 2.65Å; K89-Y91 VanDerWaalsContact C-N 3.3Å; K89-Y91 HydrophobicContact CB-CD2 3.61Å; K89-Y91 HydrophobicContact CB-CE2 3.63Å; K89-Y91 HydrophobicContact CD-CE2 4Å; K89-Y91 HydrophobicContact CG-CE2 4.46Å; K89-Y91 PolarHBondContact O-N 3.34Å
90G72.7Confident83.1Confident34 Ų3448.6 Ų48.635%0.35126%0.262SS..THydrogen-bonded Turntrans71.918.7178.600000114.8L86 W87 S88 N93L86-G90 PolarHBondContact O-N 3.35Å; W87-G90 PolarHBondContact O-N 3.44Å; S88-G90 VanDerWaalsContact C-N 3.32Å; S88-G90 PolarHBondContact O-N 2.99Å; G90-N93 PolarHBondContact O-OD1 3.02Å
91Y76.8Confident83.3Confident174 Ų17450.3 Ų50.368%0.68228%0.282SS*.SBendtrans-78.1-10.1166.8-63.8-70.3000112.2L86 K89L86-Y91 HydrophobicContact CD2-CD2 3.87Å; L86-Y91 HydrophobicContact CD2-CG 4.24Å; L86-Y91 WeakPolarHBondContact O-CB 3.34Å; L86-Y91 PolarHBondContact O-N 3.25Å; K89-Y91 VanDerWaalsContact C-N 3.3Å; K89-Y91 HydrophobicContact CB-CD2 3.61Å; K89-Y91 HydrophobicContact CB-CE2 3.63Å; K89-Y91 HydrophobicContact CD-CE2 4Å; K89-Y91 HydrophobicContact CG-CE2 4.46Å; K89-Y91 PolarHBondContact O-N 3.34Å
92I81.3Confident83.7Confident35 Ų3547.9 Ų47.918%0.17926%0.257CS..  trans-135.3115.8-179.3-56.3177.7000108.4I71 L86 W87 Q94I71-I92 HydrophobicContact CD1-CD1 4.49Å; I71-I92 HydrophobicContact CD1-CG2 3.17Å; L86-I92 HydrophobicContact CB-CD1 3.52Å; L86-I92 HydrophobicContact CB-CG1 3.92Å; L86-I92 HydrophobicContact CD1-CD1 4.36Å; W87-I92 HydrophobicContact CB-CB 4.33Å; I92-Q94 HydrophobicContact CG2-CB 4.46Å
93N78.5Confident83.8Confident66 Ų6642.8 Ų42.835%0.35323%0.233SC..  trans-1049.6-171.5-69.50.6000113A41 N42 G90A41-N93 WeakPolarHBondContact O-CB 3.33Å; A41-N93 VanDerWaalsContact O-O 3.13Å; N42-N93 PolarHBondContact OD1-ND2 3.43Å; G90-N93 PolarHBondContact O-OD1 3.02Å
94Q86.4Confident83.7Confident78 Ų7846.9 Ų46.936%0.36425%0.249SC..SBendtrans-87146.2179.2-67.7179.13.600110.5N69 I71 W87 I92N69-Q94 HydrophobicContact CB-CG 4.33Å; I71-Q94 HydrophobicContact CD1-CB 4.01Å; I71-Q94 HydrophobicContact CG1-CB 4.11Å; I71-Q94 VanDerWaalsContact CG1-OE1 3.28Å; W87-Q94 PolarHBondContact NE1-O 3.18Å; I92-Q94 HydrophobicContact CG2-CB 4.46Å
95A88.4Confident83.3Confident12 Ų1250.3 Ų50.310%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-63.3138.717600000111.1L36 T46 L48 T70 I71L36-A95 HydrophobicContact CD2-CB 3.87Å; T46-A95 HydrophobicContact CG2-CB 4.44Å; T46-A95 WeakPolarHBondContact O-CA 3.26Å; L48-A95 HydrophobicContact CD1-CB 3.84Å; T70-A95 WeakPolarHBondContact CA-O 3.25Å; T70-A95 HydrophobicContact CG2-CB 4.28Å; I71-A95 PolarHBondContact N-O 2.97Å
96L90.5Very high83.1Confident0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-97.6115.6-172.4-167.871.5000110.7T46 I47 L48 I71 L73 L84 W87 L98 L106T46-L96 PolarHBondContact O-N 3.23Å; I47-L96 CarbonylContact C-O 3.56Å; I47-L96 WeakPolarHBondContact CA-O 3.42Å; L48-L96 PolarHBondContact N-O 3.32Å; I71-L96 HydrophobicContact CB-CD1 4.31Å; I71-L96 HydrophobicContact CG2-CD1 4Å; I71-L96 CarbonylContact O-C 3.59Å; I71-L96 WeakPolarHBondContact O-CA 3.29Å; L73-L96 HydrophobicContact CD1-CD1 4.01Å; L84-L96 HydrophobicContact CD2-CD2 3.82Å; W87-L96 HydrophobicContact CD2-CB 4.39Å; W87-L96 HydrophobicContact CD2-CD2 4.17Å; W87-L96 HydrophobicContact CE3-CD2 4.22Å; W87-L96 HydrophobicContact CZ2-CB 3.9Å; W87-L96 HydrophobicContact CZ3-CD2 4.47Å; L96-L98 HydrophobicContact CD2-CD2 4.33Å; L96-L106 HydrophobicContact CD2-CD1 4.41Å
97I92.3Very high82.7Confident0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-96133.1175.4-54.5170000109.4L48 A56 L59 K60 L63 T70 I71 L72 L73L48-I97 HydrophobicContact CB-CB 4.39Å; L48-I97 HydrophobicContact CB-CG1 3.91Å; L48-I97 HydrophobicContact CB-CG2 4.49Å; L48-I97 HydrophobicContact CD1-CD1 4.39Å; L48-I97 HydrophobicContact CD1-CG1 3.65Å; L48-I97 HydrophobicContact CG-CG1 4.42Å; L48-I97 WeakPolarHBondContact O-CA 3.1Å; A56-I97 HydrophobicContact CB-CG2 3.77Å; L59-I97 HydrophobicContact CD2-CD1 4.37Å; L59-I97 HydrophobicContact CD2-CG1 4.47Å; L59-I97 HydrophobicContact CD2-CG2 4.09Å; L59-I97 HydrophobicContact CG-CD1 4.22Å; K60-I97 HydrophobicContact CB-CD1 3.78Å; L63-I97 HydrophobicContact CD1-CD1 4.29Å; T70-I97 HydrophobicContact CG2-CD1 4.08Å; T70-I97 HydrophobicContact CG2-CG1 4.49Å; T70-I97 VanDerWaalsContact OG1-CD1 3.27Å; T70-I97 WeakPolarHBondContact OG1-CD1 3.39Å; I71-I97 PolarHBondContact O-N 2.96Å; L72-I97 WeakPolarHBondContact CA-O 3.3Å; L72-I97 HydrophobicContact CD1-CB 4.28Å; L72-I97 HydrophobicContact CD1-CG2 4.07Å; L73-I97 PolarHBondContact N-O 3.23Å
98L91.3Very high81.9Confident0 Ų050.1 Ų50.10%028%0.28CS..EExtended strand (participates in β ladder)trans-148.9161176.363.793.8000111.9I47 L48 I49 C50 L73 L96 M102 L103 L106I47-L98 HydrophobicContact CG2-CD2 3.61Å; I47-L98 HydrophobicContact CG2-CG 4.19Å; L48-L98 PolarHBondContact O-N 3.42Å; I49-L98 WeakPolarHBondContact CA-O 3.49Å; I49-L98 HydrophobicContact CG1-CD1 4.13Å; I49-L98 HydrophobicContact CG1-CG 4.47Å; I49-L98 HydrophobicContact CG2-CD1 4.17Å; C50-L98 PolarHBondContact N-O 2.88Å; L73-L98 HydrophobicContact CB-CB 4.31Å; L96-L98 HydrophobicContact CD2-CD2 4.33Å; L98-M102 HydrophobicContact CB-CB 4.17Å; L98-L103 HydrophobicContact CD1-CD2 3.68Å; L98-L103 HydrophobicContact CD1-CG 4.18Å; L98-L106 HydrophobicContact CD2-CD1 3.44Å; L98-L106 VanDerWaalsContact CD2-CD1 3.44Å
99C90.7Very high81.7Confident7 Ų748.9 Ų48.95%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-103.7166.4171.961.70000112C50 G101 M102C50-C99 CarbonylContact O-C 3.42Å; C50-C99 VanDerWaalsContact O-CA 3.24Å; C50-C99 WeakPolarHBondContact O-CA 3.34Å; C99-G101 PolarHBondContact O-N 2.9Å; C99-G101 VanDerWaalsContact O-N 3.13Å; C99-M102 WeakPolarHBondContact O-CB 3.45Å; C99-M102 PolarHBondContact O-N 2.86Å
100D86.4Confident81.4Confident38 Ų3849.8 Ų49.820%0.20328%0.277CS..G310 helixtrans-50.4-40.8-179.1-77.3-34.5000114C50 Q51 M102 L103 R128C50-D100 PolarHBondContact O-N 3.15Å; C50-D100 VanDerWaalsContact O-N 3.15Å; Q51-D100 WeakPolarHBondContact CA-OD2 3.09Å; D100-M102 PolarHBondContact O-N 3.31Å; D100-L103 HydrophobicContact CB-CD1 4.3Å; D100-L103 WeakPolarHBondContact O-CB 3.3Å; D100-L103 WeakPolarHBondContact O-CG 3.19Å; D100-L103 PolarHBondContact O-N 2.86Å; D100-L103 WeakPolarHBondContact OD1-CD1 2.99Å; D100-R128 IonicContact OD1-CZ 3.87Å; D100-R128 IonicContact OD1-NE 2.7Å; D100-R128 PolarHBondContact OD1-NE 2.85Å; D100-R128 IonicContact OD1-NH2 3.9Å; D100-R128 PolarHBondContact OD1-NH2 3.35Å; D100-R128 IonicContact OD2-CZ 3.49Å; D100-R128 IonicContact OD2-NE 2.53Å; D100-R128 IonicContact OD2-NH2 2.6Å; D100-R128 PolarHBondContact OD2-NH2 2.84Å
101G82.9Confident81.8Confident52 Ų5248.5 Ų48.554%0.53626%0.262SS..G310 helixtrans-63.1-3.7176.400000115.7C99C99-G101 PolarHBondContact O-N 2.9Å; C99-G101 VanDerWaalsContact O-N 3.13Å
102M85.3Confident82.1Confident2 Ų243.9 Ų43.91%0.0125%0.25CC..G310 helixtrans-107.8-1.9175.4-62.2-53.3-67.900113.6L73 P75 V80 L98 C99 D100 E104 H105 L106L73-M102 HydrophobicContact CD2-CB 4.49Å; L73-M102 HydrophobicContact CD2-CE 3.85Å; L73-M102 HydrophobicContact CG-CE 4.41Å; P75-M102 VanDerWaalsContact CA-SD 3.55Å; P75-M102 HydrophobicContact CB-SD 4.01Å; V80-M102 HydrophobicContact CG1-CE 3.81Å; V80-M102 HydrophobicContact CG2-CE 3.91Å; L98-M102 HydrophobicContact CB-CB 4.17Å; C99-M102 WeakPolarHBondContact O-CB 3.45Å; C99-M102 PolarHBondContact O-N 2.86Å; D100-M102 PolarHBondContact O-N 3.31Å; M102-E104 PolarHBondContact O-N 3.37Å; M102-H105 HydrophobicContact CE-CB 4.06Å; M102-H105 WeakPolarHBondContact O-CB 3.2Å; M102-H105 PolarHBondContact O-N 2.79Å; M102-H105 VanDerWaalsContact O-N 3.13Å; M102-L106 PolarHBondContact O-N 3.35Å
103L83.4Confident82.3Confident5 Ų542.2 Ų42.23%0.02624%0.241CC..SBendtrans-65.4-38.8-178.8-68168.3000112.5I49 L98 D100 H105 L106 R128 W131 L132I49-L103 HydrophobicContact CD1-CD2 4.15Å; L98-L103 HydrophobicContact CD1-CD2 3.68Å; L98-L103 HydrophobicContact CD1-CG 4.18Å; D100-L103 HydrophobicContact CB-CD1 4.3Å; D100-L103 WeakPolarHBondContact O-CB 3.3Å; D100-L103 WeakPolarHBondContact O-CG 3.19Å; D100-L103 PolarHBondContact O-N 2.86Å; D100-L103 WeakPolarHBondContact OD1-CD1 2.99Å; L103-H105 PolarHBondContact O-N 2.86Å; L103-L106 VanDerWaalsContact O-CB 3.28Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.21Å; L103-L106 VanDerWaalsContact O-N 3.14Å; L103-R128 HydrophobicContact CD1-CB 4Å; L103-R128 HydrophobicContact CD1-CG 3.74Å; L103-W131 HydrophobicContact CB-CB 4.07Å; L103-W131 HydrophobicContact CB-CG 4.16Å; L103-L132 HydrophobicContact CD2-CD2 4.35Å
104E78.4Confident82.9Confident125 Ų12539 Ų3958%0.58422%0.224SC*.THydrogen-bonded Turntrans-61.3-27.9174.169.8-178.7179.700112.7M102 L106 W131M102-E104 PolarHBondContact O-N 3.37Å; E104-L106 VanDerWaalsContact C-N 3.35Å; E104-W131 HydrophobicContact CB-CH2 3.99Å; E104-W131 HydrophobicContact CB-CZ2 4Å; E104-W131 HydrophobicContact CB-CZ3 4.39Å
105H76.6Confident83.1Confident84 Ų8435.3 Ų35.339%0.38921%0.207SC..THydrogen-bonded Turntrans-83.2-11.5-179.1-68.484.3000112.8V80 L84 M102 L103 G107V80-H105 HydrophobicContact CG1-CB 4.45Å; L84-H105 WeakPolarHBondContact CD1-O 3.37Å; M102-H105 HydrophobicContact CE-CB 4.06Å; M102-H105 WeakPolarHBondContact O-CB 3.2Å; M102-H105 PolarHBondContact O-N 2.79Å; M102-H105 VanDerWaalsContact O-N 3.13Å; L103-H105 PolarHBondContact O-N 2.86Å; H105-G107 VanDerWaalsContact C-N 3.29Å; H105-G107 PolarHBondContact O-N 3.3Å
106L76.6Confident83.2Confident5 Ų534.8 Ų34.83%0.02620%0.202CC..  trans-68.1-27.8-171.6-15171.3000112.9I47 L84 L96 L98 M102 L103 E104 V109I47-L106 HydrophobicContact CD1-CD2 3.99Å; L84-L106 HydrophobicContact CD2-CD1 4.05Å; L96-L106 HydrophobicContact CD2-CD1 4.41Å; L98-L106 HydrophobicContact CD2-CD1 3.44Å; L98-L106 VanDerWaalsContact CD2-CD1 3.44Å; M102-L106 PolarHBondContact O-N 3.35Å; L103-L106 VanDerWaalsContact O-CB 3.28Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.21Å; L103-L106 VanDerWaalsContact O-N 3.14Å; E104-L106 VanDerWaalsContact C-N 3.35Å; L106-V109 HydrophobicContact CD2-CG2 3.84Å; L106-V109 HydrophobicContact CG-CG2 3.75Å; L106-V109 WeakPolarHBondContact O-CG1 3.4Å
107G72.1Confident83.1Confident43 Ų4335.9 Ų35.944%0.44321%0.209SC..  trans65.9-141.9-177.200000112H105 S135H105-G107 VanDerWaalsContact C-N 3.29Å; H105-G107 PolarHBondContact O-N 3.3Å; G107-S135 VanDerWaalsContact O-CA 3.28Å; G107-S135 WeakPolarHBondContact O-CA 3.45Å; G107-S135 WeakPolarHBondContact O-CB 3.44Å; G107-S135 PolarHBondContact O-OG 3.24Å
108V70.8Confident82.7Confident122 Ų12237.9 Ų37.974%0.73922%0.221SC*.SBendtrans-106.9118.3170.3-179.20000108.2
109V75.3Confident82.2Confident9 Ų940.9 Ų40.96%0.05524%0.237CC..  trans-136.9127.4-176.8-71.40000111.6I47 W87 L106 A111 S135I47-V109 HydrophobicContact CD1-CG2 4.23Å; W87-V109 HydrophobicContact CZ3-CB 4.27Å; L106-V109 HydrophobicContact CD2-CG2 3.84Å; L106-V109 HydrophobicContact CG-CG2 3.75Å; L106-V109 WeakPolarHBondContact O-CG1 3.4Å; V109-A111 PolarHBondContact O-N 2.98Å; V109-S135 CarbonylContact C-O 3.56Å; V109-S135 WeakPolarHBondContact CG2-O 3.45Å; V109-S135 PolarHBondContact N-O 3.28Å
110E72.6Confident81.7Confident155 Ų15541.1 Ų41.172%0.72424%0.239SC*.  trans-71.2107.5170.7-67.5177.5162.900109.3K45K45-E110 WeakPolarHBondContact CD-O 3.4Å
111A80.9Confident81.3Confident6 Ų645.8 Ų45.85%0.0526%0.259CS..  trans-116.2137.1170.900000108.9I47 W87 V109 V114 A136 A139I47-A111 HydrophobicContact CD1-CB 3.73Å; I47-A111 HydrophobicContact CG1-CB 3.96Å; W87-A111 HydrophobicContact CH2-CB 4.33Å; V109-A111 PolarHBondContact O-N 2.98Å; A111-V114 HydrophobicContact CB-CG2 4.47Å; A111-A136 HydrophobicContact CB-CB 4.2Å; A111-A139 VanDerWaalsContact O-CB 3.3Å; A111-A139 WeakPolarHBondContact O-CB 3.32Å
112N83.8Confident80.9Confident77 Ų7748.9 Ų48.941%0.41226%0.263SS..SBendtrans-88.5-32.9-180-57.893000111.5E44 K45 E140E44-N112 HydrophobicContact CB-CB 4.26Å; E44-N112 HydrophobicContact CG-CB 4.47Å; K45-N112 PolarHBondContact N-OD1 3.27Å; K45-N112 PolarHBondContact O-N 3.11Å; N112-E140 PolarHBondContact O-N 3.12Å
113L86Confident80.4Confident0 Ų054.6 Ų54.60%029%0.293CS..EExtended strand (participates in β ladder)trans-137.9132.2-178.1-179.768.6000109.9T35 K45 T46 I47 I115 E140 L142T35-L113 HydrophobicContact CG2-CD2 4.35Å; K45-L113 PolarHBondContact O-N 3.26Å; T46-L113 CarbonylContact C-O 3.51Å; T46-L113 WeakPolarHBondContact CA-O 3.5Å; T46-L113 HydrophobicContact CG2-CB 4.18Å; T46-L113 HydrophobicContact CG2-CD2 3.86Å; T46-L113 HydrophobicContact CG2-CG 4.13Å; I47-L113 PolarHBondContact N-O 3.37Å; L113-I115 HydrophobicContact CD1-CG1 4.44Å; L113-I115 HydrophobicContact CD2-CD1 3.76Å; L113-I115 HydrophobicContact CD2-CG1 3.86Å; L113-I115 HydrophobicContact CG-CD1 4.31Å; L113-I115 HydrophobicContact CG-CG1 3.83Å; L113-E140 WeakPolarHBondContact CA-O 3.25Å; L113-E140 HydrophobicContact CD1-CB 3.97Å; L113-E140 HydrophobicContact CD1-CG 4.08Å; L113-L142 HydrophobicContact CD1-CB 4.14Å
114V89.3Confident80Confident0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-118.8123.2170.2176.60000108.3I47 I49 A111 L132 A136 A139 E140 M141 L142I47-V114 HydrophobicContact CB-CG2 4.39Å; I47-V114 CarbonylContact O-C 3.58Å; I47-V114 WeakPolarHBondContact O-CA 3.35Å; I49-V114 HydrophobicContact CD1-CG1 3.42Å; I49-V114 VanDerWaalsContact CD1-CG1 3.42Å; I49-V114 HydrophobicContact CG1-CG1 4.13Å; A111-V114 HydrophobicContact CB-CG2 4.47Å; V114-L132 HydrophobicContact CG1-CD1 4.08Å; V114-L132 HydrophobicContact CG1-CD2 4.29Å; V114-L132 HydrophobicContact CG2-CD2 4.44Å; V114-A136 HydrophobicContact CG2-CB 4.2Å; V114-A139 HydrophobicContact CG2-CB 3.86Å; V114-E140 PolarHBondContact N-O 3.29Å; V114-M141 HydrophobicContact CB-CE 4.43Å; V114-M141 HydrophobicContact CB-SD 3.68Å; V114-M141 HydrophobicContact CG1-SD 4.02Å; V114-M141 HydrophobicContact CG2-CE 4.4Å; V114-M141 HydrophobicContact CG2-SD 4.28Å; V114-L142 PolarHBondContact O-N 3.16Å
115I91.1Very high80.2Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-111.7115-178.8-47-179.5000109.3L32 T35 L36 T46 I47 L48 I49 L113 T117 L142 I144L32-I115 HydrophobicContact CD2-CD1 4.19Å; L32-I115 HydrophobicContact CD2-CG2 3.78Å; T35-I115 HydrophobicContact CG2-CD1 4.48Å; L36-I115 HydrophobicContact CD2-CD1 4.3Å; T46-I115 HydrophobicContact CG2-CD1 3.87Å; T46-I115 HydrophobicContact CG2-CG1 4.1Å; I47-I115 PolarHBondContact O-N 2.81Å; L48-I115 WeakPolarHBondContact CA-O 3.29Å; L48-I115 HydrophobicContact CD2-CB 3.99Å; L48-I115 HydrophobicContact CD2-CD1 4.01Å; L48-I115 HydrophobicContact CD2-CG1 4.46Å; L48-I115 HydrophobicContact CD2-CG2 4.33Å; I49-I115 PolarHBondContact N-O 3.38Å; L113-I115 HydrophobicContact CD1-CG1 4.44Å; L113-I115 HydrophobicContact CD2-CD1 3.76Å; L113-I115 HydrophobicContact CD2-CG1 3.86Å; L113-I115 HydrophobicContact CG-CD1 4.31Å; L113-I115 HydrophobicContact CG-CG1 3.83Å; I115-T117 HydrophobicContact CG2-CG2 4.19Å; I115-T117 PolarHBondContact O-N 3.14Å; I115-L142 CarbonylContact C-O 3.58Å; I115-L142 VanDerWaalsContact CA-O 3.29Å; I115-L142 WeakPolarHBondContact CA-O 3.26Å; I115-L142 HydrophobicContact CD1-CD2 4.17Å; I115-L142 HydrophobicContact CG1-CB 4.26Å; I115-L142 HydrophobicContact CG1-CD2 4.15Å; I115-L142 HydrophobicContact CG2-CB 4.32Å; I115-L142 HydrophobicContact CG2-CD2 4.01Å; I115-L142 HydrophobicContact CG2-CG 4.18Å; I115-I144 HydrophobicContact CG2-CD1 4.09Å; I115-I144 HydrophobicContact CG2-CG1 4.36Å
116H91.2Very high80.4Confident0 Ų055.5 Ų55.50%030%0.296CS..EExtended strand (participates in β ladder)trans-84.8105.3171.6-57.2-89.7000108.6L119 F125 R128 L142 V143 I144H116-L119 HydrophobicContact CB-CD2 4.49Å; H116-F125 AromaticContact ND1-CE2 3.9Å; H116-R128 VanDerWaalsContact ND1-CD 3.34Å; H116-R128 WeakPolarHBondContact ND1-CD 3.42Å; H116-R128 PolarHBondContact ND1-NH1 3.04Å; H116-L142 PolarHBondContact N-O 3.32Å; H116-V143 HydrophobicContact CB-CG2 4.3Å; H116-I144 PolarHBondContact O-N 3.08Å
117T87.3Confident80.5Confident24 Ų2461.2 Ų61.215%0.14732%0.323CS..SBendtrans-88.6-22.4-177.561.80000113.1L32 L48 I49 C50 L59 I115L32-T117 HydrophobicContact CD1-CG2 4.07Å; L32-T117 HydrophobicContact CD2-CG2 4.05Å; L48-T117 HydrophobicContact CD2-CG2 3.82Å; I49-T117 PolarHBondContact O-N 3.43Å; I49-T117 PolarHBondContact O-OG1 3.01Å; C50-T117 PolarHBondContact SG-OG1 3.26Å; L59-T117 HydrophobicContact CD2-CG2 3.79Å; I115-T117 HydrophobicContact CG2-CG2 4.19Å; I115-T117 PolarHBondContact O-N 3.14Å
118T84.6Confident81.3Confident42 Ų4259.3 Ų59.326%0.25830%0.302SS..SBendtrans-136.2138.7168.543.70000109.4C50 Q51 E55 R128C50-T118 WeakPolarHBondContact CA-OG1 3.48Å; Q51-T118 PolarHBondContact N-OG1 3.15Å; E55-T118 PolarHBondContact OE2-OG1 3.08Å; T118-R128 PolarHBondContact O-NH1 3.45Å
119L81.5Confident81.9Confident62 Ų6255.7 Ų55.733%0.32528%0.278SS..PPolyproline II helixtrans-100.3123.8-179.5-76.7172.8000110.5H116 F125 V143 T145H116-L119 HydrophobicContact CB-CD2 4.49Å; L119-F125 HydrophobicContact CD2-CD2 3.86Å; L119-F125 HydrophobicContact CD2-CE2 3.53Å; L119-F125 HydrophobicContact CD2-CZ 4.06Å; L119-V143 HydrophobicContact CD1-CG1 3.65Å; L119-V143 HydrophobicContact CD2-CG1 3.72Å; L119-V143 HydrophobicContact CG-CG1 3.89Å; L119-T145 HydrophobicContact CD1-CG2 4.2Å
120P79.1Confident82.1Confident13 Ų1362.3 Ų62.38%0.08431%0.306CS..PPolyproline II helixtrans-84.1171.7171.637.4-34.9000110.7Q51 K124 F125Q51-P120 HydrophobicContact CG-CB 4.18Å; P120-K124 HydrophobicContact CB-CB 3.88Å; P120-K124 HydrophobicContact CG-CB 4.1Å; P120-F125 HydrophobicContact CG-CB 4.04Å; P120-F125 HydrophobicContact CG-CD2 4.42Å
121E78.1Confident82.5Confident136 Ų13660.2 Ų60.264%0.63629%0.292SS*.PPolyproline II helixtrans-49.8147.8170.1-62.4162.3150.200112.1N123 K124 F125E121-N123 VanDerWaalsContact C-N 3.31Å; E121-N123 PolarHBondContact O-N 3.26Å; E121-N123 VanDerWaalsContact O-N 3.1Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 IonicContact OE2-NZ 3.98Å; E121-K124 PolarHBondContact OE2-NZ 3.07Å; E121-K124 VanDerWaalsContact OE2-NZ 3.12Å; E121-F125 PolarHBondContact O-N 3.03Å
122L74.8Confident82.5Confident117 Ų11760 Ų6061%0.61329%0.29SS*.Hα-helixtrans-46.6-48.3-171.2-173.566.5000113.7K124 F125 E126L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 3.34Å; L122-F125 CarbonylContact O-C 3.59Å; L122-F125 WeakPolarHBondContact O-CA 3.27Å; L122-F125 WeakPolarHBondContact O-CB 3.44Å; L122-F125 PolarHBondContact O-N 3.21Å; L122-F125 VanDerWaalsContact O-N 3.08Å; L122-E126 WeakPolarHBondContact O-CG 3.41Å; L122-E126 PolarHBondContact O-N 3.13Å
123N74.1Confident82.1Confident122 Ų12259.9 Ų59.965%0.65230%0.295SS*.Hα-helixtrans-59.2-41.4-179.8-60.5-11.2000112.7E121 E126 E127E121-N123 VanDerWaalsContact C-N 3.31Å; E121-N123 PolarHBondContact O-N 3.26Å; E121-N123 VanDerWaalsContact O-N 3.1Å; N123-E126 PolarHBondContact O-N 2.87Å; N123-E127 PolarHBondContact O-N 3.15Å; N123-E127 VanDerWaalsContact O-N 3.11Å
124K76.9Confident81.3Confident95 Ų9563.8 Ų63.841%0.41332%0.315SS..Hα-helixtrans-75.3-29.3176.8-72.5173.6-175.3149.40111.8P120 E121 L122 E127 R128P120-K124 HydrophobicContact CB-CB 3.88Å; P120-K124 HydrophobicContact CG-CB 4.1Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 IonicContact OE2-NZ 3.98Å; E121-K124 PolarHBondContact OE2-NZ 3.07Å; E121-K124 VanDerWaalsContact OE2-NZ 3.12Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 3.34Å; K124-E127 PolarHBondContact O-N 3.21Å; K124-R128 WeakPolarHBondContact O-CB 3.36Å; K124-R128 PolarHBondContact O-N 2.97Å
125F82.5Confident80.3Confident22 Ų2264 Ų6410%0.09632%0.316CS..Hα-helixtrans-68-40.3172.7-171.7-115.3000111F17 H116 L119 P120 E121 L122 R128 L129F17-F125 HydrophobicContact CE1-CZ 4.45Å; H116-F125 AromaticContact ND1-CE2 3.9Å; L119-F125 HydrophobicContact CD2-CD2 3.86Å; L119-F125 HydrophobicContact CD2-CE2 3.53Å; L119-F125 HydrophobicContact CD2-CZ 4.06Å; P120-F125 HydrophobicContact CG-CB 4.04Å; P120-F125 HydrophobicContact CG-CD2 4.42Å; E121-F125 PolarHBondContact O-N 3.03Å; L122-F125 CarbonylContact O-C 3.59Å; L122-F125 WeakPolarHBondContact O-CA 3.27Å; L122-F125 WeakPolarHBondContact O-CB 3.44Å; L122-F125 PolarHBondContact O-N 3.21Å; L122-F125 VanDerWaalsContact O-N 3.08Å; F125-R128 WeakPolarHBondContact O-CB 3.5Å; F125-R128 PolarHBondContact O-N 3.18Å; F125-L129 HydrophobicContact CD1-CD1 4.01Å; F125-L129 HydrophobicContact CD1-CG 4.42Å; F125-L129 HydrophobicContact CE1-CD1 3.68Å; F125-L129 HydrophobicContact CE1-CG 4.19Å; F125-L129 HydrophobicContact CZ-CD1 4.16Å; F125-L129 HydrophobicContact CZ-CD2 4.23Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.49Å; F125-L129 PolarHBondContact O-N 2.82Å
126E79.8Confident79.2Confident116 Ų11664 Ų6454%0.54232%0.317SS..Hα-helixtrans-62.5-42.1172.1-71.6-178.7-178.500112.3L122 N123 L129 K130L122-E126 WeakPolarHBondContact O-CG 3.41Å; L122-E126 PolarHBondContact O-N 3.13Å; N123-E126 PolarHBondContact O-N 2.87Å; E126-L129 PolarHBondContact O-N 2.87Å; E126-K130 WeakPolarHBondContact O-CB 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å
127E79.8Confident78Confident125 Ų12573.2 Ų73.258%0.58435%0.352SS*.Hα-helixtrans-60.2-45.4171.5-73.2-178.3160.900112.2N123 K124 L129 K130 W131N123-E127 PolarHBondContact O-N 3.15Å; N123-E127 VanDerWaalsContact O-N 3.11Å; K124-E127 PolarHBondContact O-N 3.21Å; E127-L129 VanDerWaalsContact C-N 3.34Å; E127-L129 PolarHBondContact O-N 3.34Å; E127-K130 WeakPolarHBondContact O-CB 3.47Å; E127-K130 PolarHBondContact O-N 3.12Å; E127-W131 PolarHBondContact O-N 2.81Å; E127-W131 VanDerWaalsContact O-N 3.1Å
128R87.9Confident77Confident2 Ų280.2 Ų80.21%0.00839%0.388CS..Hα-helixtrans-57.4-46.3174.6176.1-172.4-65.8-175.4-5.7111.3D100 L103 H116 T118 K124 F125 W131 L132D100-R128 IonicContact OD1-CZ 3.87Å; D100-R128 IonicContact OD1-NE 2.7Å; D100-R128 PolarHBondContact OD1-NE 2.85Å; D100-R128 IonicContact OD1-NH2 3.9Å; D100-R128 PolarHBondContact OD1-NH2 3.35Å; D100-R128 IonicContact OD2-CZ 3.49Å; D100-R128 IonicContact OD2-NE 2.53Å; D100-R128 IonicContact OD2-NH2 2.6Å; D100-R128 PolarHBondContact OD2-NH2 2.84Å; L103-R128 HydrophobicContact CD1-CB 4Å; L103-R128 HydrophobicContact CD1-CG 3.74Å; H116-R128 VanDerWaalsContact ND1-CD 3.34Å; H116-R128 WeakPolarHBondContact ND1-CD 3.42Å; H116-R128 PolarHBondContact ND1-NH1 3.04Å; T118-R128 PolarHBondContact O-NH1 3.45Å; K124-R128 WeakPolarHBondContact O-CB 3.36Å; K124-R128 PolarHBondContact O-N 2.97Å; F125-R128 WeakPolarHBondContact O-CB 3.5Å; F125-R128 PolarHBondContact O-N 3.18Å; R128-W131 PolarHBondContact O-N 2.99Å; R128-L132 HydrophobicContact CG-CD1 3.96Å; R128-L132 WeakPolarHBondContact O-CG 3.49Å; R128-L132 PolarHBondContact O-N 2.83Å
129L83.3Confident76.7Confident46 Ų4678.5 Ų78.524%0.24138%0.378CS..Hα-helixtrans-65.7-36.7177.8-70.1-177.8000112.4F17 F125 E126 E127 W131 L132 S133F17-L129 HydrophobicContact CE1-CD2 3.72Å; F17-L129 HydrophobicContact CZ-CD1 4.04Å; F17-L129 HydrophobicContact CZ-CD2 3.66Å; F125-L129 HydrophobicContact CD1-CD1 4.01Å; F125-L129 HydrophobicContact CD1-CG 4.42Å; F125-L129 HydrophobicContact CE1-CD1 3.68Å; F125-L129 HydrophobicContact CE1-CG 4.19Å; F125-L129 HydrophobicContact CZ-CD1 4.16Å; F125-L129 HydrophobicContact CZ-CD2 4.23Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.49Å; F125-L129 PolarHBondContact O-N 2.82Å; E126-L129 PolarHBondContact O-N 2.87Å; E127-L129 VanDerWaalsContact C-N 3.34Å; E127-L129 PolarHBondContact O-N 3.34Å; L129-W131 PolarHBondContact O-N 2.84Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-S133 WeakPolarHBondContact O-CB 3.18Å; L129-S133 PolarHBondContact O-N 2.99Å
130K80.4Confident76.8Confident149 Ų14978.6 Ų78.665%0.64838%0.377SS*.Hα-helixtrans-60.4-45.7174.9-173.8179.5-179.7-1800111.4E126 E127 S133E126-K130 WeakPolarHBondContact O-CB 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å; E127-K130 WeakPolarHBondContact O-CB 3.47Å; E127-K130 PolarHBondContact O-N 3.12Å; K130-S133 PolarHBondContact O-N 3.36Å; K130-S133 PolarHBondContact O-OG 3.43Å
131W80.9Confident77.2Confident110 Ų11078.4 Ų78.442%0.41738%0.375SS..Hα-helixtrans-62.7-46.5174.1-75111.9000111.9L103 E104 E127 R128 L129 S133 I134 S135L103-W131 HydrophobicContact CB-CB 4.07Å; L103-W131 HydrophobicContact CB-CG 4.16Å; E104-W131 HydrophobicContact CB-CH2 3.99Å; E104-W131 HydrophobicContact CB-CZ2 4Å; E104-W131 HydrophobicContact CB-CZ3 4.39Å; E127-W131 PolarHBondContact O-N 2.81Å; E127-W131 VanDerWaalsContact O-N 3.1Å; R128-W131 PolarHBondContact O-N 2.99Å; L129-W131 PolarHBondContact O-N 2.84Å; W131-S133 VanDerWaalsContact C-N 3.28Å; W131-S133 PolarHBondContact O-N 2.89Å; W131-I134 WeakPolarHBondContact O-CB 3.48Å; W131-I134 PolarHBondContact O-N 2.92Å; W131-S135 WeakPolarHBondContact O-CB 3.42Å; W131-S135 PolarHBondContact O-N 3.17Å; W131-S135 PolarHBondContact O-OG 3.08Å
132L81.1Confident77.6Confident2 Ų272.5 Ų72.51%0.0135%0.348CS..Hα-helixtrans-63.8-29.9178.1-66.6167.7000113.3I49 L103 V114 R128 L129 I134 S135 A136 M141I49-L132 HydrophobicContact CD1-CD1 3.7Å; I49-L132 HydrophobicContact CD1-CD2 3.77Å; I49-L132 HydrophobicContact CD1-CG 4.25Å; L103-L132 HydrophobicContact CD2-CD2 4.35Å; V114-L132 HydrophobicContact CG1-CD1 4.08Å; V114-L132 HydrophobicContact CG1-CD2 4.29Å; V114-L132 HydrophobicContact CG2-CD2 4.44Å; R128-L132 HydrophobicContact CG-CD1 3.96Å; R128-L132 WeakPolarHBondContact O-CG 3.49Å; R128-L132 PolarHBondContact O-N 2.83Å; L129-L132 PolarHBondContact O-N 3.48Å; L132-I134 PolarHBondContact O-N 3Å; L132-S135 PolarHBondContact O-N 3.12Å; L132-A136 HydrophobicContact CD2-CB 4.32Å; L132-A136 CarbonylContact O-C 3.59Å; L132-A136 WeakPolarHBondContact O-CA 3.16Å; L132-A136 PolarHBondContact O-N 3.46Å; L132-M141 HydrophobicContact CB-CE 4.41Å
133S74.1Confident78.3Confident74 Ų7467 Ų6752%0.51732%0.319SS..Hα-helixtrans-64.1-28.8174.182.90000113.2L129 K130 W131 R137L129-S133 WeakPolarHBondContact O-CB 3.18Å; L129-S133 PolarHBondContact O-N 2.99Å; K130-S133 PolarHBondContact O-N 3.36Å; K130-S133 PolarHBondContact O-OG 3.43Å; W131-S133 VanDerWaalsContact C-N 3.28Å; W131-S133 PolarHBondContact O-N 2.89Å; S133-R137 WeakPolarHBondContact O-CG 3.4Å
134I70.5Confident78.9Confident82 Ų8261.3 Ų61.342%0.42129%0.289SS..Hα-helixtrans-84.4-45.5175.2-60.1167.4000109.6W131 L132W131-I134 WeakPolarHBondContact O-CB 3.48Å; W131-I134 PolarHBondContact O-N 2.92Å; L132-I134 PolarHBondContact O-N 3Å
135S68.1Low79Confident4 Ų458.2 Ų58.23%0.02828%0.278CS..Hα-helixtrans-88.5-33.3-166.1-61.50000115.3G107 V109 W131 L132G107-S135 VanDerWaalsContact O-CA 3.28Å; G107-S135 WeakPolarHBondContact O-CA 3.45Å; G107-S135 WeakPolarHBondContact O-CB 3.44Å; G107-S135 PolarHBondContact O-OG 3.24Å; V109-S135 CarbonylContact C-O 3.56Å; V109-S135 WeakPolarHBondContact CG2-O 3.45Å; V109-S135 PolarHBondContact N-O 3.28Å; W131-S135 WeakPolarHBondContact O-CB 3.42Å; W131-S135 PolarHBondContact O-N 3.17Å; W131-S135 PolarHBondContact O-OG 3.08Å; L132-S135 PolarHBondContact O-N 3.12Å
136A67.9Low77.9Confident2 Ų260.7 Ų60.72%0.01730%0.296CS..SBendtrans-135.560.7-168.600000111.6A111 V114 L132 N138 A139A111-A136 HydrophobicContact CB-CB 4.2Å; V114-A136 HydrophobicContact CG2-CB 4.2Å; L132-A136 HydrophobicContact CD2-CB 4.32Å; L132-A136 CarbonylContact O-C 3.59Å; L132-A136 WeakPolarHBondContact O-CA 3.16Å; L132-A136 PolarHBondContact O-N 3.46Å; A136-N138 PolarHBondContact O-N 3.41Å; A136-A139 HydrophobicContact CB-CB 4.4Å; A136-A139 PolarHBondContact O-N 2.6Å
137R64.4Low76.5Confident193 Ų19358.8 Ų58.873%0.72829%0.294SS*.THydrogen-bonded Turntrans-61.2134.2-177.3-68.9-175.9177.4-171.70.3111.8S133 A139S133-R137 WeakPolarHBondContact O-CG 3.4Å; R137-A139 PolarHBondContact O-N 3.39Å
138N66.9Low74.7Confident170 Ų17057.3 Ų57.391%0.90929%0.291SS*.THydrogen-bonded Turntrans63.716.1177.6-51.2-21.2000115.9A136A136-N138 PolarHBondContact O-N 3.41Å
139A78.5Confident72.5Confident6 Ų665.6 Ų65.65%0.0533%0.329CS..PPolyproline II helixtrans-65.7143.4171.900000111.7A111 V114 A136 R137 M141A111-A139 VanDerWaalsContact O-CB 3.3Å; A111-A139 WeakPolarHBondContact O-CB 3.32Å; V114-A139 HydrophobicContact CG2-CB 3.86Å; A136-A139 HydrophobicContact CB-CB 4.4Å; A136-A139 PolarHBondContact O-N 2.6Å; R137-A139 PolarHBondContact O-N 3.39Å; A139-M141 HydrophobicContact CB-CE 4.24Å
140E83.4Confident70.2Confident65 Ų6571.6 Ų71.630%0.30436%0.356SS..EExtended strand (participates in β ladder)trans-66.6132.1164.6-176.4173.7-152.800108.8K9 R39 N112 L113 V114K9-E140 IonicContact NZ-OE1 2.71Å; R39-E140 IonicContact CZ-OE2 3.63Å; R39-E140 IonicContact NH1-OE2 2.67Å; R39-E140 IonicContact NH2-OE2 3.29Å; R39-E140 PolarHBondContact NH2-OE2 2.95Å; N112-E140 PolarHBondContact O-N 3.12Å; L113-E140 WeakPolarHBondContact CA-O 3.25Å; L113-E140 HydrophobicContact CD1-CB 3.97Å; L113-E140 HydrophobicContact CD1-CG 4.08Å; V114-E140 PolarHBondContact N-O 3.29Å
141M86.8Confident67.7Low8 Ų870.6 Ų70.64%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-102119.4178-60.4-71169.100109.3T15 T16 F17 T18 V114 L132 A139T15-M141 HydrophobicContact CG2-CB 4.39Å; T15-M141 HydrophobicContact CG2-CE 4.28Å; T15-M141 HydrophobicContact CG2-CG 3.45Å; T15-M141 VanDerWaalsContact CG2-CG 3.45Å; T16-M141 PolarHBondContact O-N 3.38Å; F17-M141 CarbonylContact C-O 3.49Å; F17-M141 WeakPolarHBondContact CA-O 3.49Å; F17-M141 HydrophobicContact CD1-CB 3.37Å; F17-M141 HydrophobicContact CD1-CG 3.98Å; F17-M141 HydrophobicContact CE1-CB 3.58Å; F17-M141 HydrophobicContact CE1-CG 3.64Å; F17-M141 HydrophobicContact CE1-SD 4.41Å; F17-M141 HydrophobicContact CG-CB 4.03Å; F17-M141 HydrophobicContact CZ-CB 4.39Å; F17-M141 HydrophobicContact CZ-CG 4.09Å; T18-M141 PolarHBondContact N-O 2.9Å; V114-M141 HydrophobicContact CB-CE 4.43Å; V114-M141 HydrophobicContact CB-SD 3.68Å; V114-M141 HydrophobicContact CG1-SD 4.02Å; V114-M141 HydrophobicContact CG2-CE 4.4Å; V114-M141 HydrophobicContact CG2-SD 4.28Å; L132-M141 HydrophobicContact CB-CE 4.41Å; A139-M141 HydrophobicContact CB-CE 4.24Å
142L88.4Confident65.4Low13 Ų1374.4 Ų74.47%0.06838%0.38CS..EExtended strand (participates in β ladder)trans-109.6125.6171.9178.665.7000108.6T18 A20 F31 T35 L113 V114 I115 H116T18-L142 HydrophobicContact CG2-CD1 4.07Å; T18-L142 CarbonylContact O-C 3.54Å; T18-L142 WeakPolarHBondContact O-CA 2.87Å; A20-L142 HydrophobicContact CB-CD1 4.17Å; F31-L142 HydrophobicContact CE1-CD1 4.47Å; F31-L142 HydrophobicContact CE1-CD2 4.16Å; T35-L142 HydrophobicContact CG2-CD2 4.35Å; L113-L142 HydrophobicContact CD1-CB 4.14Å; V114-L142 PolarHBondContact O-N 3.16Å; I115-L142 CarbonylContact C-O 3.58Å; I115-L142 VanDerWaalsContact CA-O 3.29Å; I115-L142 WeakPolarHBondContact CA-O 3.26Å; I115-L142 HydrophobicContact CD1-CD2 4.17Å; I115-L142 HydrophobicContact CG1-CB 4.26Å; I115-L142 HydrophobicContact CG1-CD2 4.15Å; I115-L142 HydrophobicContact CG2-CB 4.32Å; I115-L142 HydrophobicContact CG2-CD2 4.01Å; I115-L142 HydrophobicContact CG2-CG 4.18Å; H116-L142 PolarHBondContact N-O 3.32Å
143V88.4Confident63.1Low0 Ų083.7 Ų83.70%042%0.421CS..EExtended strand (participates in β ladder)trans-113.6124.3177.6178.20000108.4F17 T18 Y19 A20 H116 L119F17-V143 HydrophobicContact CD1-CG2 4.05Å; T18-V143 PolarHBondContact O-N 3.4Å; Y19-V143 WeakPolarHBondContact CA-O 3.33Å; Y19-V143 HydrophobicContact CD1-CB 3.66Å; Y19-V143 HydrophobicContact CD1-CG1 3.6Å; Y19-V143 HydrophobicContact CD1-CG2 4.34Å; Y19-V143 HydrophobicContact CE1-CB 3.77Å; Y19-V143 HydrophobicContact CE1-CG1 3.57Å; Y19-V143 HydrophobicContact CE1-CG2 3.99Å; Y19-V143 HydrophobicContact CG-CB 4.23Å; A20-V143 PolarHBondContact N-O 3.14Å; H116-V143 HydrophobicContact CB-CG2 4.3Å; L119-V143 HydrophobicContact CD1-CG1 3.65Å; L119-V143 HydrophobicContact CD2-CG1 3.72Å; L119-V143 HydrophobicContact CG-CG1 3.89Å
144I87.4Confident61.2Low4 Ų489.4 Ų89.42%0.02144%0.439CS..EExtended strand (participates in β ladder)trans-97.5111.3172.3-61.9178.9000107.5A20 P22 F31 L32 I115 H116A20-I144 WeakPolarHBondContact O-CA 3.4Å; P22-I144 HydrophobicContact CG-CG2 4.08Å; F31-I144 HydrophobicContact CD1-CD1 4.27Å; L32-I144 HydrophobicContact CD1-CD1 3.76Å; L32-I144 HydrophobicContact CD2-CD1 3.47Å; L32-I144 VanDerWaalsContact CD2-CD1 3.47Å; L32-I144 HydrophobicContact CG-CD1 3.38Å; I115-I144 HydrophobicContact CG2-CD1 4.09Å; I115-I144 HydrophobicContact CG2-CG1 4.36Å; H116-I144 PolarHBondContact O-N 3.08Å
145T78Confident59.1Low30 Ų3089.1 Ų89.118%0.18446%0.457CS..  trans-79128.7170.735.10000108.7Y19 A20 S21 L119Y19-T145 HydrophobicContact CD1-CG2 4.2Å; A20-T145 PolarHBondContact O-N 3.43Å; A20-T145 VanDerWaalsContact O-N 3.08Å; A20-T145 PolarHBondContact O-OG1 3.28Å; S21-T145 WeakPolarHBondContact CA-OG1 3.22Å; S21-T145 PolarHBondContact OG-OG1 3.42Å; L119-T145 HydrophobicContact CD1-CG2 4.2Å
146P58.8Low57.3Low74 Ų7499.8 Ų99.848%0.48150%0.502SS..  trans-62.7146.9166.829-33.3000109.2D148P146-D148 PolarHBondContact O-N 2.92Å
147C51.5Low55.4Low75 Ų75103.1 Ų103.151%0.50754%0.537SS..  trans-90.594.5169.3-158.70000107.1P22 E149P22-C147 WeakPolarHBondContact O-CB 3.34Å; C147-E149 PolarHBondContact O-N 3.23Å
148D42.4Very low53.8Low95 Ų95102.8 Ų102.851%0.50854%0.544SS..  trans-7897.3179.1-58.1-32.9000109.2P146 E150P146-D148 PolarHBondContact O-N 2.92Å; D148-E150 PolarHBondContact O-N 3.36Å
149E40.2Very low51.8Low176 Ų176101.4 Ų101.482%0.82254%0.542SS*.THydrogen-bonded Turntrans-64.80.2173-67.2-171.4166.900113.1C147C147-E149 PolarHBondContact O-N 3.23Å
150E35.5Very low49.4Very low172 Ų172110 Ų11080%0.80458%0.581SS**THydrogen-bonded Turntrans-88.1-16.6-177.9-62.4-169.6151.100114.2D148D148-E150 PolarHBondContact O-N 3.36Å
151N28.7Very low47.1Very low128 Ų128112.1 Ų112.168%0.68460%0.6SS**G310 helixtrans-94.2-0.7-173.3-80.9-41.4000116.3K153N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 2.93Å
152E32.5Very low44Very low190 Ų190120.4 Ų120.489%0.88864%0.639SS**G310 helixtrans-8613175.8-74.5-162.315900114.5
153K33.5Very low41Very low196 Ų196127 Ų12785%0.85267%0.672SS**G310 helixtrans-116.810.2-176.3-77.7-172.8179.21740117.1N151N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 2.93Å
154E32.7Very low37.8Very low195 Ų195132.7 Ų132.791%0.91171%0.707SS**SBendtrans-121.795.1161.8-69.5-162.4152.600110.3
155G27.4Very low34.8Very low76 Ų76140 Ų14078%0.78474%0.741SS**  trans153.945177.600000118.1
156K30.1Very low32.1Very low227 Ų227146 Ų14699%0.98777%0.767SS**  trans-98.590158.6-84.9-166.3174.6-174.50110.2
157G27.3Very low30.4Very low72 Ų72153.6 Ų153.674%0.74279%0.786SS**  trans-130.4133.616300000108.3
158E31.5Very low29.1Very low186 Ų186158.7 Ų158.787%0.86981%0.805SS**  trans-77.9137.9-166.9-57.2168.2134.700112.7
159T25Very low28.6Very low142 Ų142158.6 Ų158.687%0.87181%0.809SS**  160.8130.3119.736.30000112.7
160E28.6Very low27.8Very low185 Ų185157.8 Ų157.886%0.86481%0.81SS**  trans-82.1159.1146.3-73.5-171.2147.500107.9
161P35.1Very low27.1Very low110 Ų110157.9 Ų157.971%0.71481%0.807SS**  cis-143.9-161.124.741.4-20.1000115.9
162E21.5Very low26.9Very low182 Ų182157.6 Ų157.685%0.8581%0.81SS**  trans102.7165.5143.9-96.8-179.6-154.700122.3
163I24.3Very low26.4Very low151 Ų151155.6 Ų155.677%0.77481%0.805SS**  trans-121.9126.8-139.6-78.7173000111.2
164V22.2Very low25.9Very low120 Ų120150.2 Ų150.273%0.72780%0.798SS**  trans74.4140.4151.1168.90000119.9
165Q23.4Very low25.5Very low157 Ų157147.9 Ų147.973%0.73479%0.791SS**  trans100.9126.2149.6-100.3176.564.700122.3
166Q22.1Very low25.3Very low156 Ų156150.9 Ų150.973%0.72979%0.789SS**  trans85.4110.4147.3-62.5-175.632.200121.4
167R23.7Very low25Very low234 Ų234144.6 Ų144.688%0.88377%0.774SS**  19.5134.1123.6-69176.7169.6174.6-3.3117.3
168M22.8Very low24.9Very low182 Ų182149 Ų14990%0.89778%0.777SS**  -164.9168.8101.5-98.5-159.383.500112
169P33.4Very low24.5Very low94 Ų94148.8 Ų148.861%0.6178%0.776SS**  trans-119.5-166.5-15445.1-34.1000113.5
170L22Very low24.3Very low158 Ų158148.2 Ų148.283%0.82777%0.767SS**  trans-175.8109.8138.2-91.9148.1000107.8
171K20.5Very low24.1Very low174 Ų174150.4 Ų150.476%0.75777%0.769SS**  49.211699.2-73.5-168.7170-167.40113.8
172V24.7Very low23.5Very low123 Ų123152.6 Ų152.675%0.74577%0.77SS**  cis61.3102.446-169.40000113.5
173D23.1Very low23.7Very low147 Ų147152 Ų15279%0.78677%0.771SS**  -173152.4126.5-86.2-36.3000107
174A23Very low23.7Very low84 Ų84152.8 Ų152.869%0.69477%0.768SS**  cis-153.2154.525.100000115.7
175L23Very low23.9Very low146 Ų146154.3 Ų154.376%0.76477%0.767SS**  trans66.9103.4142.9-94.776000123.8
176N23.8Very low23.9Very low138 Ų138154.9 Ų154.974%0.73878%0.775SS**  67.8102.1107.2-71.55.8000123.8
177S25.1Very low24Very low96 Ų96153.5 Ų153.567%0.67178%0.778SS**  60.3126.2111.971.80000123.6
178M23.5Very low25.3Very low165 Ų165147.6 Ų147.681%0.81377%0.77SS**  trans60.1117.9144.8-70.1-175.764.700120.2
179Q23.1Very low26Very low180 Ų180144.2 Ų144.284%0.84176%0.762SS**  -167.8158.294.2-102.9-178.6-7.100113.2
180L22.2Very low25.6Very low130 Ų130145.2 Ų145.268%0.68177%0.766SS**  trans-72.3160.3173.2-78.572.2000111.6E182L180-E182 HydrophobicContact CD2-CG 4.46Å
181Y23.3Very low25.8Very low231 Ų231142.4 Ų142.491%0.90676%0.76SS**  trans-130.5121.9138.8-98.5-86.8000109.9
182E23.8Very low26.2Very low157 Ų157138 Ų13873%0.73475%0.75SS**  trans-86.7143.8162.7-61.9-179.7140.400109.5L180L180-E182 HydrophobicContact CD2-CG 4.46Å
183I25Very low26.3Very low170 Ų170139.8 Ų139.887%0.87275%0.751SS**  trans-136143.7148.4-64.4-171.8000108.6
184K24Very low26.5Very low167 Ų167137.9 Ų137.973%0.72674%0.741SS**  trans-85.5162.5-165.4-67.1177.1171-175.90115.6
185E25.5Very low26.7Very low151 Ų151142.2 Ų142.271%0.70674%0.74SS**  trans22.9130.6139.6-59.8172.7120.200120.1
186N23.7Very low26.8Very low169 Ų169143.7 Ų143.790%0.90474%0.741SS**  -159.4146.7114.3-98.4-41.5000111.7
187T24.6Very low26.9Very low127 Ų127140.9 Ų140.978%0.77974%0.736SS**  trans-107.5-173.5-169.1-8.30000111.5
188P50.5Low26.9Very low111 Ų111144.9 Ų144.972%0.72175%0.745SS**  trans-102.7-163.7-140.343.5-27.4000112
189P38.9Very low27Very low111 Ų111140.7 Ų140.772%0.72174%0.736SS**  -143.7-16776.834-9.5000111.4
190T24.3Very low27.2Very low115 Ų115138.9 Ų138.971%0.70673%0.732SS**  cis-165.3152.722.1-24.80000110.2
191S27.2Very low27.4Very low99 Ų99138.2 Ų138.269%0.69273%0.733SS**  trans58.614413962.60000121.5
192S27.1Very low27.5Very low80 Ų80133.7 Ų133.756%0.55972%0.724SS**  cis-170.9156.9-8.546.30000110.8
193E28.3Very low27.7Very low162 Ų162133 Ų13376%0.75772%0.724SS**  trans67.3135.9142.7-67149.5-165.800118.7
194D27.2Very low27.7Very low107 Ų107129.8 Ų129.857%0.57272%0.717SS**  cis-160.7161.10.2-120.5-12.6000117.6
195Y26.3Very low27.8Very low174 Ų174126.3 Ų126.368%0.68272%0.72SS**  trans39.8118.4151.9-65.5-44.5000121.9
196K24.3Very low27.7Very low178 Ų178124 Ų12477%0.77473%0.727SS**  69.8122.285.4-83.2-171-173.4-179.20113
197A26.4Very low27.9Very low78 Ų78122.7 Ų122.765%0.64573%0.725SS**  68.6142.488.800000112.1
198E26Very low28.8Very low181 Ų181122.3 Ų122.385%0.84672%0.724SS**  cis-157.5170.715.4-140.4148.7-151.900109.8
199A25.8Very low27.5Very low77 Ų77121.3 Ų121.364%0.63673%0.725SS**  trans11152145.700000120.3
200D27.4Very low26.8Very low142 Ų142122.2 Ų122.276%0.75973%0.729SS**  -177.5-175.555.7-139.8-22.7000114.7
201V25.5Very low27Very low115 Ų115124 Ų12470%0.69773%0.733SS**  trans108.582.4156.2-166.40000117
202L26.7Very low27.2Very low136 Ų136124.8 Ų124.871%0.71274%0.736SS**  44.1132.8112.1-59.5164.2000118.5
203L26.2Very low27.2Very low142 Ų142127.4 Ų127.474%0.74374%0.743SS**  -176.3142.865-116.3126.6000112.8
204S25.5Very low27Very low104 Ų104127.3 Ų127.373%0.72775%0.748SS**  trans45.8155.8142.663.50000123.4
205A26.1Very low27Very low94 Ų94128.8 Ų128.878%0.77776%0.756SS**  cis-176.9173.2-2200000109.1
206A24.5Very low26.9Very low103 Ų103130.6 Ų130.685%0.85177%0.768SS**  trans77.2101.9156.900000121.6
207T28Very low27Very low140 Ų140130.4 Ų130.486%0.85977%0.769SS**  trans-90.2-175.5134.725.20000109.4
208P42Very low26.9Very low119 Ų119134.9 Ų134.977%0.77378%0.777SS**  cis-140.2-160.84.739.7-17.4000116.2
209A24.2Very low26.7Very low90 Ų90134.7 Ų134.774%0.74478%0.776SS**  trans90.9143.9158.700000117.5
210T23.6Very low26.6Very low131 Ų131137.8 Ų137.880%0.80478%0.78SS**  cis-152.616326.9-49.60000112.7
211I28Very low26.4Very low151 Ų151137.7 Ų137.777%0.77478%0.78SS**  trans-114.3137.4174.5-69.1165.6000108.9
212P32.9Very low26.2Very low117 Ų117140 Ų14076%0.7679%0.787SS**  -151152.6107.236.8-17.6000118.3
213N25.7Very low26.1Very low134 Ų134137.9 Ų137.972%0.71778%0.784SS**  trans11.1138150.2-69.91.8000121.3
214D25.2Very low26Very low161 Ų161137.5 Ų137.586%0.86179%0.787SS**  -153.7153.4101.6-122.5-19.2000114.2
215N26.6Very low26.1Very low138 Ų138141.6 Ų141.674%0.73880%0.795SS**  trans-85.3148.3-174.3-75.4-36.1000113.4
216K25.4Very low26.2Very low212 Ų212143.3 Ų143.392%0.92279%0.791SS**  trans-157.9131.9131.1-116.6172.6-173.41800113.4
217E25Very low26.3Very low174 Ų174143 Ų14381%0.81379%0.789SS**  trans-80.1148.9177.8-56.1159.6135.100111
218Q23.7Very low26.3Very low172 Ų172143 Ų14380%0.80479%0.788SS**  16096.6116.6-86.7-176.8-11.200112.3
219E23Very low25.8Very low176 Ų176143.3 Ų143.382%0.82279%0.788SS**  40.3144112.7-117.3179.8-160.400123.3
220I23.7Very low25.9Very low143 Ų143149 Ų14973%0.73380%0.796SS**  trans102113.2151.2-62156.8000119.1
221N21.9Very low26.1Very low140 Ų140150.7 Ų150.775%0.74980%0.799SS**  trans-44155.7163.7-51.1-76.6000115.8
222L23.3Very low26.1Very low163 Ų163152.1 Ų152.185%0.85381%0.807SS**  -180144104.3-96.9161.4000114.5
223S22.8Very low25.7Very low92 Ų92151.1 Ų151.164%0.64381%0.809SS**  trans34.3124.3144.8-1640000121.6
224V25.8Very low25.7Very low133 Ų133149.7 Ų149.781%0.80681%0.809SS**  trans-136.880.4142.7-172.60000110.1
225E27.3Very low25.6Very low190 Ų190151.8 Ų151.889%0.88881%0.811SS**  trans-90.780.7146.6-78-169.7138.400108.5
226D27.3Very low25.5Very low130 Ų130153.7 Ų153.770%0.69582%0.816SS**  trans-163.191.9161.3-142.8-9.5000112.9
227A26.4Very low25.5Very low97 Ų97151.3 Ų151.380%0.80281%0.812SS**  trans-150.926.3-178.200000115.2
228T29Very low25.4Very low139 Ų139146.9 Ų146.985%0.85381%0.813SS**SBendtrans-136.616.1-173.9-13.20000115.8
229V30.4Very low25.4Very low126 Ų126143.6 Ų143.676%0.76481%0.809SS**SBendtrans-122.9-0.8-176.4-175.60000114.1
230K27Very low25.4Very low210 Ų210141.1 Ų141.191%0.91381%0.806SS**SBendtrans-112.547.9-176.8-78.8-175.1174.6172.60115.6
231L27.3Very low25.5Very low166 Ų166141.1 Ų141.187%0.86981%0.808SS**SBendtrans-142.523173.9-108.3168.7000115.3
232L27.7Very low25.6Very low181 Ų181139.7 Ų139.795%0.94881%0.809SS**SBendtrans-13435.1174.3-79.5175.4000113.1
233A26.2Very low25.7Very low97 Ų97137 Ų13780%0.80281%0.81SS**  trans-147.268.1177.600000112.3
234S24.5Very low25.8Very low103 Ų103137.1 Ų137.172%0.7282%0.817SS**  trans-164.4146.2159.935.60000110.7
235F24Very low25.8Very low206 Ų206137.3 Ų137.390%0.90482%0.818SS**  trans92.876.2-178.9-57.4-67.3000117.6
236E23.3Very low25.7Very low178 Ų178134.7 Ų134.783%0.83281%0.81SS**  trans-106.9144.4143.6-83.3-166.2152.400111
237L25.4Very low25.6Very low162 Ų162137 Ų13785%0.84882%0.816SS**  trans62.6109.1152-75.7155.3000121.6
238G23.2Very low25.6Very low80 Ų80138.3 Ų138.383%0.82582%0.82SS**  trans-136.9130.2141.500000108.4
239S23.8Very low25.4Very low103 Ų103136.9 Ų136.972%0.7282%0.815SS**  trans-100160.5-165.357.50000115.1
240T24.3Very low26.2Very low124 Ų124136.7 Ų136.776%0.76182%0.817SS**  trans142.2135.9158.147.40000108.3
241D25.1Very low26.1Very low144 Ų144131.8 Ų131.877%0.7782%0.816SS**  cis-150.4159.48.4-101.3-31.9000114
242S24.4Very low25.9Very low110 Ų110128.9 Ų128.977%0.76982%0.816SS**  trans12.9126.5158.166.10000122.3
243A25Very low25.8Very low107 Ų107125.3 Ų125.388%0.88481%0.812SS**  -171.3127.9106.500000110.7
244A23.6Very low25.7Very low94 Ų94129.1 Ų129.178%0.77781%0.81SS**  trans-105.2145.5178.900000111.6
245V27.2Very low25.7Very low137 Ų137132.7 Ų132.783%0.8381%0.813SS**  trans-147.4120.1146.3-176.30000109.1
246D24.5Very low25.8Very low135 Ų135129.8 Ų129.872%0.72281%0.807SS**  trans4.5128.9152.3-60.2-19.8000119.3
247E25.6Very low25.8Very low178 Ų178125.1 Ų125.183%0.83280%0.799SS**  60.6111.177.1-76.8-158.317500115.2
248S25.9Very low26Very low125 Ų125123.6 Ų123.687%0.87480%0.799SS**  169.1157.3110.847.80000112.1
249S25.3Very low26Very low109 Ų109125.3 Ų125.376%0.76279%0.793SS**  trans-115.9-151.4-175.4-167.20000110.2
250P46.3Very low26.1Very low121 Ų121131 Ų13179%0.78680%0.8SS**  -112.4174.1-106.838.8-25.5000114
251A24.9Very low26Very low108 Ų108129.6 Ų129.689%0.89380%0.796SS**  trans-142.4135.4161.800000111.9
252A24.6Very low26.7Very low105 Ų105127.4 Ų127.487%0.86879%0.789SS**  trans-109.3153-179.700000111.6
253A25.1Very low26.6Very low106 Ų106131.2 Ų131.288%0.87679%0.793SS**  trans-140.9140.5161.200000110
254K24.7Very low26.7Very low176 Ų176131.8 Ų131.877%0.76579%0.785SS**  trans-105.7175.7-172.1-72.9179175.3177.70112.1
255F23.9Very low26.8Very low179 Ų179134.1 Ų134.179%0.78579%0.789SS**  trans80.7143.7163.5-57.9-73.8000115.1
256N24.9Very low26.7Very low145 Ų145136.2 Ų136.278%0.77579%0.79SS**  cis-148.1154.77-123.7-26.2000111.1
257A24.5Very low26.9Very low79 Ų79137.2 Ų137.265%0.65380%0.795SS**  trans-97.1159.8162.200000110
258P28.5Very low27.4Very low130 Ų130134.4 Ų134.484%0.84479%0.793SS**  -135.1165.3121.935.9-25.1000113.9
259V24.9Very low28.1Very low117 Ų117134.6 Ų134.671%0.70979%0.789SS**  trans-107.3140.6-176.2174.90000109.2
260Y24.7Very low28.4Very low221 Ų221139.5 Ų139.587%0.86780%0.796SS**  173158.3124-101.7-79000112.3
261S23.5Very low28Very low96 Ų96138 Ų13867%0.67179%0.789SS**  trans-106.7-163.5-170.756.90000111.5
262P38Very low28.4Very low98 Ų98139.6 Ų139.664%0.63678%0.781SS**  cis-129.7-166.3-25.417.68.5000112.8
263F24.1Very low29Very low190 Ų190141.4 Ų141.483%0.83378%0.777SS**  trans103.9136.6147.4-85.4-69.4000123.3
264V25.3Very low29.5Very low119 Ų119139.8 Ų139.872%0.72176%0.763SS**  trans65.3111.2160.2-175.70000119.2E266V264-E266 HydrophobicContact CG1-CG 4.34Å
265T26.1Very low30Very low142 Ų142137.5 Ų137.587%0.87176%0.755SS**  trans-98122.1158.346.50000110.8
266E25.9Very low30.7Very low181 Ų181136 Ų13685%0.84675%0.749SS**  trans-109.3136.5155.7-73.3-170147.700109.6V264V264-E266 HydrophobicContact CG1-CG 4.34Å
267N29.1Very low31.3Very low156 Ų156135.2 Ų135.283%0.83474%0.74SS**  trans-74148.1168.3-87.2-32.5000108.9
268P35.4Very low31.8Very low119 Ų119138.5 Ų138.577%0.77374%0.742SS**  -149.7155.776.337.1-17.1000119
269T40.1Very low32Very low129 Ų129138 Ų13879%0.79173%0.732SS**  trans-34.1125155.9370000116.4
270K32.6Very low32.5Very low212 Ų212136.9 Ų136.992%0.92273%0.725SS**  trans169.587.7140.3-94.9162.1-176.9178.30110.6
271S37Very low32.8Very low91 Ų91133.6 Ų133.664%0.63672%0.715SS**SBendtrans-158.4-29.2169.9-1620000115
272L34.4Very low33.1Very low140 Ų140133.2 Ų133.273%0.73371%0.713SS**Hα-helixtrans-75.6-25-169.4-81.1150.1000115.3A274 F276L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 3.09Å; L272-F276 PolarHBondContact O-N 2.74Å
273D36.3Very low32.7Very low143 Ų143137 Ų13777%0.76572%0.719SS**Hα-helixtrans-73.7-17.4178.5-70-38.2000113.6
274A35.7Very low32.7Very low72 Ų72136.2 Ų136.260%0.59572%0.716SS**Hα-helixtrans-79.5-48.717900000111.8L272 F276 Q277 E278L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 3.09Å; A274-F276 VanDerWaalsContact C-N 3.29Å; A274-F276 PolarHBondContact O-N 3.07Å; A274-Q277 PolarHBondContact O-N 3.41Å; A274-E278 PolarHBondContact O-N 3.37Å
275E36.4Very low32.7Very low128 Ų128137 Ų13760%0.59872%0.72SS**Hα-helixtrans-63.2-35.6177.8-69.2-176.613000111.9Q277 E278 L279E275-Q277 VanDerWaalsContact C-N 3.31Å; E275-Q277 PolarHBondContact O-N 3.06Å; E275-E278 PolarHBondContact O-N 3.39Å; E275-L279 PolarHBondContact O-N 3.31Å; E275-L279 VanDerWaalsContact O-N 3.11Å
276F38.4Very low32.7Very low148 Ų148138.5 Ų138.565%0.64972%0.718SS**Hα-helixtrans-65.1-31.8178.3-165.3-106.3000113.1L272 A274 V280L272-F276 PolarHBondContact O-N 2.74Å; A274-F276 VanDerWaalsContact C-N 3.29Å; A274-F276 PolarHBondContact O-N 3.07Å; F276-V280 WeakPolarHBondContact O-CG2 3.39Å; F276-V280 PolarHBondContact O-N 3.14Å
277Q36Very low32.7Very low128 Ų128137.9 Ų137.960%0.59872%0.72SS**Hα-helixtrans-82.1-20.3176.1-71.8-152.810.900114.5A274 E275 K281A274-Q277 PolarHBondContact O-N 3.41Å; E275-Q277 VanDerWaalsContact C-N 3.31Å; E275-Q277 PolarHBondContact O-N 3.06Å; Q277-K281 WeakPolarHBondContact O-CD 3.18Å; Q277-K281 WeakPolarHBondContact O-CG 3.49Å
278E35.1Very low32.4Very low148 Ų148135.5 Ų135.569%0.69271%0.711SS**Hα-helixtrans-75.5-42.9170.1-109.3-171.7158.400111.4A274 E275 V280 K281 S282A274-E278 PolarHBondContact O-N 3.37Å; E275-E278 PolarHBondContact O-N 3.39Å; E278-V280 PolarHBondContact O-N 3.43Å; E278-K281 PolarHBondContact O-N 2.91Å; E278-S282 PolarHBondContact O-N 3.27Å
279L33Very low31.9Very low120 Ų120137.8 Ų137.863%0.62871%0.709SS**Hα-helixtrans-67.4-21.9-178.2-148.6133000113.4E275 S282E275-L279 PolarHBondContact O-N 3.31Å; E275-L279 VanDerWaalsContact O-N 3.11Å; L279-S282 PolarHBondContact O-OG 3.31Å; L279-S282 VanDerWaalsContact O-OG 3.08Å
280V35Very low31.1Very low94 Ų94140.1 Ų140.157%0.5771%0.708SS**THydrogen-bonded Turntrans-84.3-18.8172.7172.80000112.6F276 E278F276-V280 WeakPolarHBondContact O-CG2 3.39Å; F276-V280 PolarHBondContact O-N 3.14Å; E278-V280 PolarHBondContact O-N 3.43Å
281K32.1Very low30.7Very low151 Ų151137 Ų13766%0.65770%0.701SS**THydrogen-bonded Turntrans-84.6-26.2176.2-74.9171.5-175.4166.70113.1Q277 E278 F283Q277-K281 WeakPolarHBondContact O-CD 3.18Å; Q277-K281 WeakPolarHBondContact O-CG 3.49Å; E278-K281 PolarHBondContact O-N 2.91Å; K281-F283 VanDerWaalsContact C-N 3.26Å; K281-F283 PolarHBondContact O-N 3.39Å
282S29.4Very low29.9Very low88 Ų88141.9 Ų141.962%0.61572%0.716SS**THydrogen-bonded Turntrans-72.4-11.5-179.957.50000115E278 L279E278-S282 PolarHBondContact O-N 3.27Å; L279-S282 PolarHBondContact O-OG 3.31Å; L279-S282 VanDerWaalsContact O-OG 3.08Å
283F28.7Very low29.3Very low177 Ų177142 Ų14278%0.77672%0.718SS**THydrogen-bonded Turntrans-102.915.9-177.5-85.7-77.9000115.6K281K281-F283 VanDerWaalsContact C-N 3.26Å; K281-F283 PolarHBondContact O-N 3.39Å
284K26Very low28.7Very low175 Ų175142.1 Ų142.176%0.76172%0.718SS**  trans-118.7124.4173.8-80.9-174.3174.4177.70113.2
285V24.6Very low28.3Very low135 Ų135143.9 Ų143.982%0.81872%0.723SS**  trans74.8113.2168.1-149.10000113.5
286Q25Very low28.4Very low174 Ų174143.2 Ų143.281%0.81373%0.73SS**  -155.3121.968.3-82.7176.8-4.100114.4
287N27Very low27.7Very low168 Ų168141.8 Ų141.890%0.89874%0.736SS**  trans-90.2112155.9-91.2-29.4000108.9
288V23.1Very low27.2Very low106 Ų106141.6 Ų141.664%0.64275%0.745SS**  trans-151.8134.5160.4-168.60000112
289F23.5Very low26.7Very low167 Ų167139.9 Ų139.973%0.73275%0.75SS**  trans124.6130.8151.9-70.2-50.7000114.4
290K24.8Very low26.3Very low178 Ų178140.8 Ų140.877%0.77476%0.76SS**  cis-160.6160.6-10.1-150.7165.4-161.5165.60110.5
291N22.9Very low25.7Very low145 Ų145141.5 Ų141.578%0.77577%0.769SS**  trans-68.6156.3-175.9-61.4-24.4000115.8
292M21.3Very low25.4Very low194 Ų194142 Ų14296%0.95678%0.777SS**  trans-135.1147.1142.2-87.9-163.8167.400111.4
293N22Very low25.1Very low143 Ų143146.4 Ų146.477%0.76579%0.788SS**  trans-92.8165.3-177.2-73.93.1000110.5
294L22.4Very low24.8Very low145 Ų145146.8 Ų146.876%0.75979%0.792SS**  cis-162.6-164.2-0.7-110.9164.8000104.3
295P27.7Very low24.9Very low110 Ų110144.6 Ų144.671%0.71480%0.796SS**  cis-123-178.8-16.439.3-21.8000113.8
296P38.3Very low24.8Very low114 Ų114144.6 Ų144.674%0.7480%0.796SS**  trans-102.2157.3-178.138.4-33.8000115.3
297P23.4Very low24.8Very low118 Ų118141.3 Ų141.377%0.76679%0.793SS**  trans-123.6177.8154.344.2-32.2000110.6
298P25.6Very low24.7Very low123 Ų123138.4 Ų138.480%0.79979%0.785SS**  -107.3162.9-105.910.512.7000114.9
299S24.8Very low24.7Very low113 Ų113138.7 Ų138.779%0.7980%0.799SS**  trans-67.3135.5171.951.50000113.4
300V24.2Very low24.7Very low138 Ų138136.5 Ų136.584%0.83680%0.804SS**  trans-128.6118.3153.2179.40000108.2
301S22.6Very low24.7Very low109 Ų109132.3 Ų132.376%0.76280%0.803SS**  trans-94133178.7480000111
302I26.4Very low24.8Very low162 Ų162130.8 Ų130.883%0.83180%0.804SS**  trans-135141.3156.8-60.9-175.3000108
303E22.5Very low24.9Very low181 Ų181128.8 Ų128.885%0.84680%0.796SS**PPolyproline II helixtrans-80.6145.9-163.3-59.8153141.100113.7
304E23.5Very low25Very low184 Ų184133.4 Ų133.486%0.8681%0.805SS**PPolyproline II helixtrans-99.1131.8155.2-75.1-169.5147.500109.6
305P26.8Very low24.9Very low129 Ų129136.8 Ų136.884%0.83881%0.808SS**PPolyproline II helixtrans-84.2133.6167.831.8-30.9000111.8
306V23.6Very low24.8Very low135 Ų135139.6 Ų139.682%0.81881%0.811SS**PPolyproline II helixtrans-83.6137.8-175.7175.70000112.7
307S25.3Very low24.1Very low106 Ų106142.7 Ų142.774%0.74182%0.815SS**  trans-162.3110.8141.461.40000109
308S23.1Very low24.2Very low107 Ų107144.5 Ų144.575%0.74882%0.817SS**  72.190.460.680.10000115
309A24.4Very low24Very low111 Ų111146.4 Ų146.492%0.91782%0.82SS**  trans-161.1140.6145.700000110.6
310S23.1Very low24.2Very low122 Ų122146.4 Ų146.485%0.85382%0.816SS**  trans-111.4146.1-171.952.50000113.2
311A24.3Very low24.3Very low90 Ų90146.6 Ų146.674%0.74482%0.817SS**  trans-157.5103.2156.500000107.5
312S24.8Very low24.3Very low113 Ų113146.3 Ų146.379%0.7982%0.815SS**  76109.975.971.80000113.8
313D24.2Very low24.3Very low151 Ų151146.6 Ų146.681%0.80782%0.818SS**  trans-57.9149.2173.3-65.9-72.7000113.6
314Y24.3Very low24.5Very low241 Ų241145.1 Ų145.195%0.94582%0.816SS**  trans-152.4147.5137.7-100.6-73000110.8
315R21.1Very low24.5Very low216 Ų216141.1 Ų141.182%0.81581%0.808SS**  trans-105.4161.7-177.4-71.7-178.5174.4175.8-1.4112.4
316H24.9Very low24.5Very low168 Ų168142.4 Ų142.478%0.77881%0.807SS**  trans70150.8170.8-61-72.6000114.3
317Q23.3Very low24.5Very low179 Ų179147.4 Ų147.484%0.83681%0.81SS**  cis-144.6160.318.5-147.4156.1-2.500110.9
318I24.6Very low24.6Very low156 Ų156146.8 Ų146.880%0.880%0.802SS**  trans-87.3128177.2-63.8167.5000108.2
319D22.5Very low24.8Very low163 Ų163148 Ų14887%0.87281%0.805SS**  trans-134142.2161.3-109.6-35.6000110.2
320T29.3Very low24.9Very low114 Ų114151.8 Ų151.870%0.69980%0.801SS**  trans-95.6125.8-170.150.30000111.9
321T24.9Very low25.5Very low141 Ų141150.2 Ų150.287%0.86578%0.783SS**  trans164.1157138.636.20000111.8
322S24.5Very low25.9Very low103 Ų103150.4 Ų150.472%0.7278%0.779SS**  trans78.7130.3-177.3-161.70000116.8
323L26Very low26.7Very low169 Ų169148.7 Ų148.789%0.88577%0.765SS**  trans-105.53.3-170.2-102.9159.1000113.9S325L323-S325 PolarHBondContact O-N 3.07Å
324D25.1Very low27.5Very low150 Ų150141.7 Ų141.780%0.80273%0.728SS**  trans-95.130.5-163.1-67.7-31.6000115.8
325S24.9Very low28.1Very low100 Ų100134.6 Ų134.670%0.69971%0.714SS**  trans-148.756.2-179.657.60000117.3L323 R327L323-S325 PolarHBondContact O-N 3.07Å; S325-R327 PolarHBondContact O-N 3.31Å
326I26.4Very low29.3Very low156 Ų156125.3 Ų125.380%0.868%0.68SS**  trans-71.494.6155.9-57.8179000108.3T328I326-T328 PolarHBondContact O-N 3.36Å
327R23.8Very low29.6Very low239 Ų239119.9 Ų119.990%0.90266%0.664SS**  trans-66.998.8170.3-76.4-176174.5177.9-0.1109.7S325S325-R327 PolarHBondContact O-N 3.31Å
328T27.4Very low30.4Very low93 Ų93114.2 Ų114.257%0.57164%0.642SS**  trans-64.5147.1169.140.40000111.1I326 K330I326-T328 PolarHBondContact O-N 3.36Å; T328-K330 PolarHBondContact O-N 3.23Å
329V27Very low30.9Very low132 Ų132111.6 Ų111.680%0.863%0.633SS**  trans-57.4135.6174.3177.20000109D331V329-D331 PolarHBondContact O-N 3.03Å
330K26.7Very low31.9Very low191 Ų191105.1 Ų105.183%0.8360%0.6SS**  trans-60.3108.7174.9-78.3-175.5173.4-176.50109.8T328 S332T328-K330 PolarHBondContact O-N 3.23Å; K330-S332 PolarHBondContact O-N 2.96Å; K330-S332 PolarHBondContact O-OG 3.37Å
331D35.8Very low32.7Very low90 Ų90104.4 Ų104.448%0.48159%0.587SS.*  trans-52.8107.6168.1-77.8-37.3000108.4V329V329-D331 PolarHBondContact O-N 3.03Å
332S33.5Very low33.5Very low94 Ų94102.6 Ų102.666%0.65758%0.58SS**  trans-84.8145.8-178.4-65.10000109.8K330 A334K330-S332 PolarHBondContact O-N 2.96Å; K330-S332 PolarHBondContact O-OG 3.37Å; S332-A334 PolarHBondContact O-N 3.33Å
333P40.7Very low34.3Very low76 Ų76102.7 Ų102.749%0.49459%0.587SS.*  trans-58.4123-173.821.8-33000111.5S335P333-S335 PolarHBondContact O-N 2.82Å
334A41.1Very low35.8Very low5 Ų598 Ų984%0.04158%0.579CS.*BIsolated β-bridgetrans-66.1115.6-174.400000111.4S332 L336 P762S332-A334 PolarHBondContact O-N 3.33Å; A334-L336 PolarHBondContact O-N 3.47Å; A334-P762 HydrophobicContact CB-CG 4.05Å
335S36.2Very low37.8Very low91 Ų9192.2 Ų92.264%0.63656%0.556SS**  trans-77.1108.1175.3-171.60000110.8P333 A337P333-S335 PolarHBondContact O-N 2.82Å; S335-A337 PolarHBondContact O-N 3.18Å
336L46Very low40.5Very low21 Ų2191 Ų9111%0.1154%0.541CS..  trans-85.121.8179.8-94.3155.4000113.5A334 V338 V601 G604 V605 L761A334-L336 PolarHBondContact O-N 3.47Å; L336-V338 PolarHBondContact O-N 3.25Å; L336-V601 HydrophobicContact CD2-CB 4.31Å; L336-V601 HydrophobicContact CD2-CG1 3.74Å; L336-V601 HydrophobicContact CD2-CG2 4.38Å; L336-G604 WeakPolarHBondContact O-CA 3.43Å; L336-V605 WeakPolarHBondContact CD1-O 3.4Å; L336-L761 HydrophobicContact CD1-CD1 4.37Å; L336-L761 HydrophobicContact CD1-CD2 4.31Å; L336-L761 HydrophobicContact CD2-CD2 3.58Å; L336-L761 HydrophobicContact CG-CD2 3.84Å
337A32.8Very low43.2Very low54 Ų5484.6 Ų84.645%0.44651%0.508SS..  trans-8887.3-166.200000114.5S335S335-A337 PolarHBondContact O-N 3.18Å
338V39.6Very low46.1Very low60 Ų6074.5 Ų74.536%0.36447%0.471SS..  trans-99.2157.6154.8179.20000109.1L336 P340 T575 V579 R732L336-V338 PolarHBondContact O-N 3.25Å; V338-P340 WeakPolarHBondContact O-CD 3.3Å; V338-T575 HydrophobicContact CB-CG2 3.54Å; V338-T575 HydrophobicContact CG1-CG2 3.76Å; V338-T575 HydrophobicContact CG2-CG2 3.55Å; V338-V579 HydrophobicContact CG1-CG1 4.32Å; V338-V579 HydrophobicContact CG1-CG2 4.34Å; V338-R732 PolarHBondContact O-NH1 3.33Å; V338-R732 PolarHBondContact O-NH2 3.46Å
339V35.5Very low48.6Very low102 Ų10272.6 Ų72.662%0.61846%0.457SS*.  trans-91104.1-177.7-177.40000112.4
340P43.4Very low51.3Low26 Ų2670 Ų7017%0.16944%0.439CS..PPolyproline II helixtrans-71.6157.8154.5-21.433.7000111.7V338 Y602 R732V338-P340 WeakPolarHBondContact O-CD 3.3Å; P340-Y602 HydrophobicContact CB-CE2 4.12Å; P340-Y602 HydrophobicContact CG-CD2 4.37Å; P340-Y602 HydrophobicContact CG-CE2 3.94Å; P340-R732 VanDerWaalsContact CD-NH2 3.28Å
341F46.5Very low54.1Low99 Ų9966.4 Ų66.443%0.43442%0.421SS..PPolyproline II helixtrans-57.3149.4-167.5-66.5-91.7000115.5L583F341-L583 HydrophobicContact CE2-CB 4.29Å; F341-L583 HydrophobicContact CE2-CD1 4.07Å
342S39.8Very low56.4Low103 Ų10364 Ų6472%0.7242%0.417SS*.PPolyproline II helixtrans-61.3152.3174.445.30000113.7
343A42Very low59.1Low106 Ų10659.6 Ų59.688%0.87639%0.386SS*.SBendtrans4.2122.1165.900000118.9
344G57Low61.6Low69 Ų6956.1 Ų56.171%0.71136%0.363SS*.  trans134.4-1.7160.600000117.6
345G68.6Low64Low30 Ų3055.9 Ų55.931%0.30936%0.362SS..  trans-91.2155.6178.500000114.5
346I80.7Confident66.6Low75 Ų7553.4 Ų53.439%0.38534%0.339SS..EExtended strand (participates in β ladder)trans-98.3126.8174.7-55.8173.1000109.4Y348 W356 S357 A360I346-Y348 HydrophobicContact CB-CE2 4.28Å; I346-Y348 HydrophobicContact CG2-CD1 4.46Å; I346-Y348 HydrophobicContact CG2-CE1 3.74Å; I346-Y348 HydrophobicContact CG2-CE2 4.06Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.48Å; I346-Y348 WeakPolarHBondContact CG2-OH 3.08Å; I346-Y348 WeakPolarHBondContact O-CE2 3.47Å; I346-W356 WeakPolarHBondContact O-CA 3.34Å; I346-S357 PolarHBondContact N-O 2.57Å; I346-S357 PolarHBondContact O-N 3.23Å; I346-S357 VanDerWaalsContact O-N 3.08Å; I346-A360 HydrophobicContact CD1-CB 4.23Å
347T83.4Confident68.7Low20 Ų2052.4 Ų52.412%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-105.4122.2176.9-550000112L354 G355 L726 K727T347-L354 HydrophobicContact CG2-CD1 3.62Å; T347-L354 HydrophobicContact CG2-CG 4.44Å; T347-G355 CarbonylContact C-O 3.47Å; T347-G355 VanDerWaalsContact CA-O 3.29Å; T347-G355 WeakPolarHBondContact CA-O 3.36Å; T347-G355 WeakPolarHBondContact CG2-O 3.31Å; T347-L726 PolarHBondContact OG1-O 2.88Å; T347-K727 HydrophobicContact CG2-CG 3.91Å
348Y83.8Confident71.1Confident28 Ų2855.3 Ų55.311%0.1133%0.333CS..EExtended strand (participates in β ladder)trans-98.6145176.7-48.6-83.9000110.2I346 L354 G355 H359 A360 V361 F397I346-Y348 HydrophobicContact CB-CE2 4.28Å; I346-Y348 HydrophobicContact CG2-CD1 4.46Å; I346-Y348 HydrophobicContact CG2-CE1 3.74Å; I346-Y348 HydrophobicContact CG2-CE2 4.06Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.48Å; I346-Y348 WeakPolarHBondContact CG2-OH 3.08Å; I346-Y348 WeakPolarHBondContact O-CE2 3.47Å; Y348-L354 WeakPolarHBondContact O-CA 3.43Å; Y348-G355 PolarHBondContact N-O 2.95Å; Y348-G355 PolarHBondContact O-N 3.43Å; Y348-H359 PolarHBondContact OH-O 3Å; Y348-A360 VanDerWaalsContact OH-CA 3.23Å; Y348-A360 WeakPolarHBondContact OH-CA 3.39Å; Y348-V361 HydrophobicContact CE1-CB 4.49Å; Y348-V361 HydrophobicContact CE2-CB 4.28Å; Y348-V361 HydrophobicContact CE2-CG2 4.42Å; Y348-V361 PolarHBondContact OH-N 3.12Å; Y348-F397 HydrophobicContact CD1-CE1 4.32Å; Y348-F397 HydrophobicContact CG-CD1 4.49Å; Y348-F397 HydrophobicContact CG-CE1 4.13Å
349N81.7Confident73.2Confident52 Ų5255.3 Ų55.328%0.27833%0.329SS..  trans-143.635.6176.168.8-30.9000112.8V353 L354 Y723 K727N349-V353 CarbonylContact C-O 3.33Å; N349-V353 VanDerWaalsContact CA-O 3.3Å; N349-V353 WeakPolarHBondContact CA-O 3.16Å; N349-L354 HydrophobicContact CB-CD1 4.46Å; N349-Y723 HydrophobicContact CB-CD2 3.94Å; N349-Y723 HydrophobicContact CB-CG 4.28Å; N349-K727 WeakPolarHBondContact OD1-CE 3.05Å; N349-K727 PolarHBondContact OD1-NZ 3.13Å
350N83.1Confident75.7Confident78 Ų7854.4 Ų54.442%0.41733%0.332SS..  trans-96.4153.8-177.2-56.7-11.7000110.8G352 V353 F397N350-G352 PolarHBondContact O-N 2.84Å; N350-V353 PolarHBondContact O-N 3.28Å; N350-F397 HydrophobicContact CB-CZ 4.13Å
351Y84.9Confident77.9Confident116 Ų11653.7 Ų53.746%0.45533%0.327SS..THydrogen-bonded Turntrans59.523.4176.9-42.9-65.3000115.4V353 P363 A393 F397Y351-V353 VanDerWaalsContact C-N 3.33Å; Y351-P363 HydrophobicContact CE2-CB 4.04Å; Y351-P363 HydrophobicContact CE2-CG 3.97Å; Y351-A393 WeakPolarHBondContact O-CB 3.48Å; Y351-F397 HydrophobicContact CD2-CE2 4.09Å; Y351-F397 HydrophobicContact CD2-CZ 4.11Å
352G84.8Confident80Confident40 Ų4054.8 Ų54.841%0.41234%0.342SS..THydrogen-bonded Turntrans86.6-6.3-179.700000115.1N350 Y723N350-G352 PolarHBondContact O-N 2.84Å; G352-Y723 WeakPolarHBondContact O-CE2 3.38Å; G352-Y723 PolarHBondContact O-OH 3.26Å
353V90.3Very high82.5Confident0 Ų051.4 Ų51.40%032%0.317CS..  trans-99.8132.1-178.8166.10000110.7N349 N350 Y351 A393 V394 F397 L592 F593 D594N349-V353 CarbonylContact C-O 3.33Å; N349-V353 VanDerWaalsContact CA-O 3.3Å; N349-V353 WeakPolarHBondContact CA-O 3.16Å; N350-V353 PolarHBondContact O-N 3.28Å; Y351-V353 VanDerWaalsContact C-N 3.33Å; V353-A393 HydrophobicContact CG2-CB 3.47Å; V353-A393 VanDerWaalsContact CG2-CB 3.47Å; V353-V394 HydrophobicContact CG1-CG1 4.25Å; V353-V394 HydrophobicContact CG2-CG1 3.67Å; V353-F397 HydrophobicContact CB-CE2 4.2Å; V353-F397 HydrophobicContact CG1-CD2 4.22Å; V353-F397 HydrophobicContact CG1-CE2 4.22Å; V353-L592 HydrophobicContact CG1-CB 4.34Å; V353-L592 HydrophobicContact CG1-CD2 3.99Å; V353-F593 VanDerWaalsContact CA-O 3.31Å; V353-F593 WeakPolarHBondContact CA-O 3.38Å; V353-D594 HydrophobicContact CG2-CB 4.46Å
354L92.4Very high84.8Confident3 Ų346.6 Ų46.62%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-84.9124.4162.2-175.178.4000108.7T347 Y348 N349 L592 F593 A599 Y723 L726T347-L354 HydrophobicContact CG2-CD1 3.62Å; T347-L354 HydrophobicContact CG2-CG 4.44Å; Y348-L354 WeakPolarHBondContact O-CA 3.43Å; N349-L354 HydrophobicContact CB-CD1 4.46Å; L354-L592 WeakPolarHBondContact O-CA 3.37Å; L354-F593 HydrophobicContact CB-CB 4.33Å; L354-F593 HydrophobicContact CD2-CD2 4.21Å; L354-F593 PolarHBondContact N-O 3.44Å; L354-F593 PolarHBondContact O-N 3.35Å; L354-A599 HydrophobicContact CB-CB 4.37Å; L354-A599 HydrophobicContact CD2-CB 3.85Å; L354-Y723 HydrophobicContact CB-CD1 3.98Å; L354-Y723 HydrophobicContact CB-CE1 3.72Å; L354-Y723 HydrophobicContact CB-CE2 4.28Å; L354-Y723 HydrophobicContact CB-CG 4.36Å; L354-Y723 HydrophobicContact CD1-CD1 4.05Å; L354-Y723 HydrophobicContact CD1-CG 4.05Å; L354-Y723 HydrophobicContact CD2-CD1 4.48Å; L354-Y723 HydrophobicContact CG-CD1 4.41Å; L354-L726 HydrophobicContact CD1-CB 4.21Å; L354-L726 HydrophobicContact CD1-CD1 4.41Å; L354-L726 HydrophobicContact CD2-CB 4.22Å; L354-L726 HydrophobicContact CD2-CD1 3.53Å; L354-L726 HydrophobicContact CD2-CG 4.45Å
355G92.1Very high86.3Confident1 Ų148.5 Ų48.51%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-119.4146.4172.900000111.6T347 Y348 V591T347-G355 CarbonylContact C-O 3.47Å; T347-G355 VanDerWaalsContact CA-O 3.29Å; T347-G355 WeakPolarHBondContact CA-O 3.36Å; T347-G355 WeakPolarHBondContact CG2-O 3.31Å; Y348-G355 PolarHBondContact N-O 2.95Å; Y348-G355 PolarHBondContact O-N 3.43Å; G355-V591 CarbonylContact C-O 3.6Å; G355-V591 VanDerWaalsContact CA-O 3.26Å; G355-V591 WeakPolarHBondContact CA-O 3.3Å
356W91.1Very high87.2Confident39 Ų3947.4 Ų47.415%0.14825%0.252CS..EExtended strand (participates in β ladder)trans-134.6132.5169.5179.790.6000110.1I346 R358 V589 L590 V591I346-W356 WeakPolarHBondContact O-CA 3.34Å; W356-R358 HydrophobicContact CH2-CG 4.05Å; W356-V589 HydrophobicContact CZ3-CG1 3.99Å; W356-L590 CarbonylContact O-C 3.5Å; W356-L590 WeakPolarHBondContact O-CA 3.5Å; W356-V591 HydrophobicContact CE3-CG2 4.21Å; W356-V591 PolarHBondContact N-O 2.67Å; W356-V591 PolarHBondContact O-N 3.34Å
357S89.9Confident87.3Confident0 Ų044.3 Ų44.30%024%0.236CC..EExtended strand (participates in β ladder)trans-151.21511751780000110.4I346 H359I346-S357 PolarHBondContact N-O 2.57Å; I346-S357 PolarHBondContact O-N 3.23Å; I346-S357 VanDerWaalsContact O-N 3.08Å; S357-H359 WeakPolarHBondContact CB-O 3.33Å; S357-H359 PolarHBondContact O-N 3.32Å; S357-H359 PolarHBondContact OG-N 3.13Å; S357-H359 PolarHBondContact OG-O 2.81Å
358R83Confident87.4Confident115 Ų11548.6 Ų48.643%0.43426%0.263SS..SBendtrans-66.2-19.3167.1-62.2-176.1-172.9-84.8-1112.6W356 P587W356-R358 HydrophobicContact CH2-CG 4.05Å; R358-P587 WeakPolarHBondContact CD-O 3.43Å; R358-P587 PolarHBondContact NE-O 2.87Å
359H84.3Confident87.4Confident59 Ų5952.4 Ų52.427%0.27328%0.282SS..SBendtrans-110.8151.8-174.2-66.5105.2000112.3Y348 S357 V361 K406 D588Y348-H359 PolarHBondContact OH-O 3Å; S357-H359 WeakPolarHBondContact CB-O 3.33Å; S357-H359 PolarHBondContact O-N 3.32Å; S357-H359 PolarHBondContact OG-N 3.13Å; S357-H359 PolarHBondContact OG-O 2.81Å; H359-V361 PolarHBondContact O-N 2.82Å; H359-K406 PolarHBondContact CD2-NZ 2.78Å; H359-K406 PolarHBondContact CE1-NZ 2.68Å; H359-K406 PolarHBondContact ND1-NZ 3.18Å; H359-K406 PolarHBondContact NE2-NZ 2.82Å; H359-D588 IonicContact CE1-OD1 3.69Å; H359-D588 PolarHBondContact CE1-OD1 3.49Å
360A87.3Confident87.5Confident84 Ų8450 Ų5069%0.69427%0.268SS*.  trans-61.4126.6165.500000110.2I346 Y348I346-A360 HydrophobicContact CD1-CB 4.23Å; Y348-A360 VanDerWaalsContact OH-CA 3.23Å; Y348-A360 WeakPolarHBondContact OH-CA 3.39Å
361V89.3Confident87.3Confident11 Ų1148.5 Ų48.57%0.06726%0.263CS..  trans-123.3113.8175.7-179.30000107.9Y348 H359 F397 P400 H401 L590Y348-V361 HydrophobicContact CE1-CB 4.49Å; Y348-V361 HydrophobicContact CE2-CB 4.28Å; Y348-V361 HydrophobicContact CE2-CG2 4.42Å; Y348-V361 PolarHBondContact OH-N 3.12Å; H359-V361 PolarHBondContact O-N 2.82Å; V361-F397 HydrophobicContact CG1-CB 4.27Å; V361-F397 HydrophobicContact CG1-CD1 4.3Å; V361-P400 HydrophobicContact CG1-CG 4.36Å; V361-H401 HydrophobicContact CG1-CB 4.43Å; V361-H401 HydrophobicContact CG2-CB 4.38Å; V361-L590 HydrophobicContact CG1-CD2 4.43Å; V361-L590 HydrophobicContact CG2-CD1 4.33Å; V361-L590 HydrophobicContact CG2-CD2 4.44Å
362V89.9Confident87.3Confident121 Ų12147.8 Ų47.873%0.73327%0.267SS*.PPolyproline II helixtrans-87.5117.7173.5-178.20000107.8P400V362-P400 WeakPolarHBondContact O-CG 3.46Å
363P92Very high87.5Confident32 Ų3246 Ų4621%0.20825%0.249CC..PPolyproline II helixtrans-75.2137.1-178.228.7-33.1000111.9Y351 R396 F397Y351-P363 HydrophobicContact CE2-CB 4.04Å; Y351-P363 HydrophobicContact CE2-CG 3.97Å; P363-R396 CarbonylContact C-O 3.56Å; P363-R396 WeakPolarHBondContact CA-O 3.21Å; P363-R396 HydrophobicContact CB-CB 4.14Å; P363-F397 HydrophobicContact CB-CD1 3.85Å; P363-F397 HydrophobicContact CB-CE1 3.78Å; P363-F397 HydrophobicContact CB-CG 4.35Å; P363-F397 HydrophobicContact CB-CZ 4.22Å; P363-F397 HydrophobicContact CG-CD1 4.43Å; P363-F397 HydrophobicContact CG-CE1 3.97Å; P363-F397 HydrophobicContact CG-CZ 4.48Å
364C91.5Very high87.4Confident5 Ų547.6 Ų47.63%0.03426%0.26CS..PPolyproline II helixtrans-86.8143.6170.463.30000111.3E369 R396C364-E369 HydrophobicContact CB-CB 3.72Å; C364-R396 PolarHBondContact N-O 3.25Å; C364-R396 WeakPolarHBondContact O-CA 3.42Å; C364-R396 WeakPolarHBondContact O-CB 3.31Å; C364-R396 WeakPolarHBondContact O-CG 3.33Å; C364-R396 PolarHBondContact SG-O 2.96Å
365Y88.5Confident87.3Confident110 Ų11052.5 Ų52.543%0.43129%0.29SS..SBendtrans-80.8-33.2176.4-170.6-98.2000113.1E369 R390 A391 R396Y365-E369 VanDerWaalsContact CB-OE2 3.27Å; Y365-E369 WeakPolarHBondContact CB-OE2 3.33Å; Y365-E369 PolarHBondContact N-OE2 3.13Å; Y365-R390 HydrophobicContact CE1-CB 4.1Å; Y365-A391 WeakPolarHBondContact O-CB 3.49Å; Y365-A391 PolarHBondContact O-N 3.06Å; Y365-R396 PolarHBondContact O-NH2 3.34Å
366G86.6Confident87.3Confident7 Ų755.3 Ų55.37%0.07230%0.304CS..SBendtrans-152.1-179.4-178.400000113.7T368 E369 A370G366-T368 PolarHBondContact O-N 3.27Å; G366-E369 PolarHBondContact O-N 2.73Å; G366-A370 PolarHBondContact O-N 3Å
367L84.4Confident87.3Confident9 Ų953.4 Ų53.45%0.04730%0.297CS..THydrogen-bonded Turntrans-61.8-24.3-177.7-77.1169.7000114.2E369 R378 M381 Q382 A387 W399L367-E369 VanDerWaalsContact C-N 3.34Å; L367-R378 HydrophobicContact CB-CG 4.42Å; L367-R378 WeakPolarHBondContact O-CD 3.35Å; L367-R378 PolarHBondContact O-NE 3.37Å; L367-R378 PolarHBondContact O-NH1 3.1Å; L367-M381 HydrophobicContact CD1-CB 4.11Å; L367-M381 HydrophobicContact CD2-CE 3.56Å; L367-M381 HydrophobicContact CD2-SD 3.67Å; L367-Q382 HydrophobicContact CD1-CG 4.26Å; L367-A387 HydrophobicContact CD1-CB 3.99Å; L367-A387 HydrophobicContact CG-CB 3.99Å; L367-W399 HydrophobicContact CD2-CE3 4.21Å; L367-W399 HydrophobicContact CD2-CH2 3.45Å; L367-W399 VanDerWaalsContact CD2-CH2 3.45Å; L367-W399 HydrophobicContact CD2-CZ2 4.12Å; L367-W399 HydrophobicContact CD2-CZ3 3.49Å; L367-W399 VanDerWaalsContact CD2-CZ3 3.49Å; L367-W399 HydrophobicContact CG-CH2 3.92Å; L367-W399 HydrophobicContact CG-CZ3 3.91Å
368T83.6Confident87.4Confident111 Ų11156 Ų5668%0.68131%0.306SS*.THydrogen-bonded Turntrans-65.2-37.8176.440.60000112.4G366 R378G366-T368 PolarHBondContact O-N 3.27Å; T368-R378 VanDerWaalsContact C-NH1 3.33Å; T368-R378 PolarHBondContact O-NH1 2.68Å
369E85.1Confident87.7Confident108 Ų10857.6 Ų57.651%0.50531%0.312SS..THydrogen-bonded Turntrans-92.6-8.5-175.5-68.8160.7-135.300113.4C364 Y365 G366 L367 P371C364-E369 HydrophobicContact CB-CB 3.72Å; Y365-E369 VanDerWaalsContact CB-OE2 3.27Å; Y365-E369 WeakPolarHBondContact CB-OE2 3.33Å; Y365-E369 PolarHBondContact N-OE2 3.13Å; G366-E369 PolarHBondContact O-N 2.73Å; L367-E369 VanDerWaalsContact C-N 3.34Å; E369-P371 WeakPolarHBondContact O-CD 3.33Å
370A84Confident88Confident0 Ų054.8 Ų54.80%030%0.299CS..  trans-69.9117.117700000109.8G366 I373 R378 W399G366-A370 PolarHBondContact O-N 3Å; A370-I373 HydrophobicContact CB-CD1 3.82Å; A370-I373 HydrophobicContact CB-CG1 4.25Å; A370-R378 PolarHBondContact O-NH2 2.93Å; A370-W399 HydrophobicContact CB-CB 4.22Å; A370-W399 HydrophobicContact CB-CE3 3.98Å
371P78.9Confident88.2Confident48 Ų4850.8 Ų50.831%0.31227%0.266SS..THydrogen-bonded Turntrans-70.3149.5-179.329-33.1000111E369 I373 P400 S403E369-P371 WeakPolarHBondContact O-CD 3.33Å; P371-I373 PolarHBondContact O-N 3.21Å; P371-P400 HydrophobicContact CG-CB 3.73Å; P371-S403 WeakPolarHBondContact O-CB 3.4Å; P371-S403 PolarHBondContact O-OG 3.44Å
372D84.3Confident88.2Confident101 Ų10155.3 Ų55.354%0.5429%0.287SS..THydrogen-bonded Turntrans582.9173.6-43.1-40.7000117.6Q428D372-Q428 PolarHBondContact O-NE2 3.26Å
373I88.2Confident88.1Confident3 Ų355.1 Ų55.12%0.01528%0.278CS..  trans-78.8120.1163.6-54.2-173.8000108.6A370 P371 I377 R378 W399A370-I373 HydrophobicContact CB-CD1 3.82Å; A370-I373 HydrophobicContact CB-CG1 4.25Å; P371-I373 PolarHBondContact O-N 3.21Å; I373-I377 HydrophobicContact CG2-CB 4.08Å; I373-I377 HydrophobicContact CG2-CG2 3.58Å; I373-R378 HydrophobicContact CG2-CG 4Å; I373-R378 PolarHBondContact O-NE 3.06Å; I373-R378 PolarHBondContact O-NH2 3.08Å; I373-W399 HydrophobicContact CD1-CB 4.17Å; I373-W399 HydrophobicContact CD1-CD2 4.28Å; I373-W399 HydrophobicContact CD1-CG 4.04Å
374S90.1Very high88Confident33 Ų3356.3 Ų56.323%0.23128%0.281CS..  trans-65.3154.7-177.965.60000113.3I376 I377 R378 Q428S374-I376 PolarHBondContact O-N 3.21Å; S374-I377 PolarHBondContact O-N 3.14Å; S374-I377 WeakPolarHBondContact OG-CB 3.4Å; S374-I377 WeakPolarHBondContact OG-CG1 3.44Å; S374-I377 PolarHBondContact OG-N 3.32Å; S374-R378 VanDerWaalsContact O-CG 3.3Å; S374-R378 WeakPolarHBondContact O-CG 3.35Å; S374-R378 PolarHBondContact O-N 3.44Å; S374-Q428 VanDerWaalsContact CB-OE1 3.27Å; S374-Q428 PolarHBondContact OG-OE1 2.82Å
375T89.8Confident87.7Confident106 Ų10657.4 Ų57.465%0.6529%0.294SS*.Hα-helixtrans-60.5-32.517751.10000112.8R379T375-R379 PolarHBondContact O-N 3.3Å
376I91.3Very high87.7Confident59 Ų5953 Ų5330%0.30328%0.279SS..Hα-helixtrans-65-51.5175.7-61176.2000110.5S374 R378 R379 A380 L469 L470S374-I376 PolarHBondContact O-N 3.21Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 2.97Å; I376-R379 WeakPolarHBondContact O-CB 3.43Å; I376-R379 PolarHBondContact O-N 3.22Å; I376-R379 VanDerWaalsContact O-N 3.13Å; I376-A380 PolarHBondContact O-N 3.3Å; I376-L469 VanDerWaalsContact CG2-C 3.43Å; I376-L469 HydrophobicContact CG2-CB 3.79Å; I376-L469 WeakPolarHBondContact CG2-O 3.35Å; I376-L470 HydrophobicContact CB-CD2 4.08Å; I376-L470 HydrophobicContact CD1-CD2 4.29Å; I376-L470 HydrophobicContact CG2-CD2 3.85Å; I376-L470 HydrophobicContact CG2-CG 4.29Å
377I92.4Very high87.4Confident0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-63.6-39.7177.8-71.1-73.9000111.2I373 S374 R379 A380 M381 P424 Q428 L466 L470I373-I377 HydrophobicContact CG2-CB 4.08Å; I373-I377 HydrophobicContact CG2-CG2 3.58Å; S374-I377 PolarHBondContact O-N 3.14Å; S374-I377 WeakPolarHBondContact OG-CB 3.4Å; S374-I377 WeakPolarHBondContact OG-CG1 3.44Å; S374-I377 PolarHBondContact OG-N 3.32Å; I377-R379 VanDerWaalsContact C-N 3.3Å; I377-R379 PolarHBondContact O-N 2.96Å; I377-A380 PolarHBondContact O-N 3.03Å; I377-M381 HydrophobicContact CG2-CG 4.34Å; I377-M381 HydrophobicContact CG2-SD 3.97Å; I377-M381 WeakPolarHBondContact O-CB 3.5Å; I377-M381 VanDerWaalsContact O-CG 3.25Å; I377-M381 WeakPolarHBondContact O-CG 3.39Å; I377-M381 PolarHBondContact O-N 3.35Å; I377-P424 HydrophobicContact CG2-CB 3.72Å; I377-Q428 HydrophobicContact CG1-CB 4.09Å; I377-Q428 HydrophobicContact CG1-CG 4.24Å; I377-L466 HydrophobicContact CD1-CB 3.95Å; I377-L466 HydrophobicContact CD1-CD2 4.06Å; I377-L466 WeakPolarHBondContact CD1-O 3.32Å; I377-L466 HydrophobicContact CG2-CD2 4.24Å; I377-L470 HydrophobicContact CD1-CD1 4.02Å; I377-L470 HydrophobicContact CD1-CG 4.29Å; I377-L470 HydrophobicContact CG1-CD1 4.39Å; I377-L470 HydrophobicContact CG1-CD2 4.26Å; I377-L470 HydrophobicContact CG1-CG 4.48Å
378R90.9Very high87Confident54 Ų5462.8 Ų62.820%0.20432%0.317CS..Hα-helixtrans-57.2-42.5173-67.7173.1-155.6-146.7-5.6111.7L367 T368 A370 I373 S374 I376 M381 Q382L367-R378 HydrophobicContact CB-CG 4.42Å; L367-R378 WeakPolarHBondContact O-CD 3.35Å; L367-R378 PolarHBondContact O-NE 3.37Å; L367-R378 PolarHBondContact O-NH1 3.1Å; T368-R378 VanDerWaalsContact C-NH1 3.33Å; T368-R378 PolarHBondContact O-NH1 2.68Å; A370-R378 PolarHBondContact O-NH2 2.93Å; I373-R378 HydrophobicContact CG2-CG 4Å; I373-R378 PolarHBondContact O-NE 3.06Å; I373-R378 PolarHBondContact O-NH2 3.08Å; S374-R378 VanDerWaalsContact O-CG 3.3Å; S374-R378 WeakPolarHBondContact O-CG 3.35Å; S374-R378 PolarHBondContact O-N 3.44Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 2.97Å; R378-M381 PolarHBondContact O-N 3.31Å; R378-Q382 VanDerWaalsContact O-CG 3.29Å; R378-Q382 WeakPolarHBondContact O-CG 2.2Å; R378-Q382 PolarHBondContact O-N 3.44Å
379R89.1Confident86.7Confident148 Ų14862.7 Ų62.756%0.55832%0.321SS*.Hα-helixtrans-64.7-44.7176.7-173.6-176.5-67.8146-2.9111.8T375 I376 I377 M381 Q382 Q383T375-R379 PolarHBondContact O-N 3.3Å; I376-R379 WeakPolarHBondContact O-CB 3.43Å; I376-R379 PolarHBondContact O-N 3.22Å; I376-R379 VanDerWaalsContact O-N 3.13Å; I377-R379 VanDerWaalsContact C-N 3.3Å; I377-R379 PolarHBondContact O-N 2.96Å; R379-M381 VanDerWaalsContact C-N 3.34Å; R379-M381 PolarHBondContact O-N 3Å; R379-Q382 PolarHBondContact O-N 3.25Å; R379-Q383 WeakPolarHBondContact O-CG 3.42Å; R379-Q383 PolarHBondContact O-N 3.18Å
380A91.3Very high86.8Confident0 Ų064.6 Ų64.60%032%0.323CS..Hα-helixtrans-58.7-45.5175.200000111.9I376 I377 Q382 Q383 M384 L466 L469I376-A380 PolarHBondContact O-N 3.3Å; I377-A380 PolarHBondContact O-N 3.03Å; A380-Q382 PolarHBondContact O-N 2.94Å; A380-Q383 PolarHBondContact O-N 3.49Å; A380-M384 HydrophobicContact CB-CE 4.3Å; A380-M384 WeakPolarHBondContact O-CE 3.19Å; A380-M384 PolarHBondContact O-N 3.18Å; A380-M384 VanDerWaalsContact O-N 3.13Å; A380-L466 HydrophobicContact CB-CD2 3.99Å; A380-L469 HydrophobicContact CB-CD1 3.55Å
381M92.1Very high87.1Confident0 Ų064.6 Ų64.60%032%0.324CS..Hα-helixtrans-59.9-43.4175.6-71.117878.700112.3L367 I377 R378 R379 M384 G385 V386 W399 W420 P424 L466L367-M381 HydrophobicContact CD1-CB 4.11Å; L367-M381 HydrophobicContact CD2-CE 3.56Å; L367-M381 HydrophobicContact CD2-SD 3.67Å; I377-M381 HydrophobicContact CG2-CG 4.34Å; I377-M381 HydrophobicContact CG2-SD 3.97Å; I377-M381 WeakPolarHBondContact O-CB 3.5Å; I377-M381 VanDerWaalsContact O-CG 3.25Å; I377-M381 WeakPolarHBondContact O-CG 3.39Å; I377-M381 PolarHBondContact O-N 3.35Å; R378-M381 PolarHBondContact O-N 3.31Å; R379-M381 VanDerWaalsContact C-N 3.34Å; R379-M381 PolarHBondContact O-N 3Å; M381-M384 CarbonylContact O-C 3.57Å; M381-M384 PolarHBondContact O-N 2.65Å; M381-G385 PolarHBondContact O-N 3.21Å; M381-V386 HydrophobicContact CB-CB 4.13Å; M381-V386 HydrophobicContact CE-CB 4.37Å; M381-V386 HydrophobicContact CE-CG1 3.64Å; M381-V386 WeakPolarHBondContact O-CB 3.21Å; M381-V386 PolarHBondContact O-N 3.15Å; M381-W399 HydrophobicContact CE-CH2 4.07Å; M381-W399 HydrophobicContact CE-CZ2 3.56Å; M381-W420 HydrophobicContact CE-CE3 4.17Å; M381-W420 HydrophobicContact CE-CZ3 4.46Å; M381-W420 HydrophobicContact CG-CZ3 4.13Å; M381-P424 HydrophobicContact CE-CB 4.16Å; M381-P424 HydrophobicContact CE-CG 3.4Å; M381-P424 HydrophobicContact CG-CG 4.37Å; M381-P424 HydrophobicContact SD-CB 3.57Å; M381-P424 VanDerWaalsContact SD-CB 3.57Å; M381-P424 HydrophobicContact SD-CG 3.48Å; M381-P424 WeakPolarHBondContact SD-CG 3.29Å; M381-L466 HydrophobicContact CG-CD2 3.94Å
382Q88.8Confident87.7Confident107 Ų10768.4 Ų68.450%0.533%0.332SS..Hα-helixtrans-63.1-42177.1-75170-20.100112.7L367 R378 R379 A380 M384 G385L367-Q382 HydrophobicContact CD1-CG 4.26Å; R378-Q382 VanDerWaalsContact O-CG 3.29Å; R378-Q382 WeakPolarHBondContact O-CG 2.2Å; R378-Q382 PolarHBondContact O-N 3.44Å; R379-Q382 PolarHBondContact O-N 3.25Å; A380-Q382 PolarHBondContact O-N 2.94Å; Q382-M384 VanDerWaalsContact C-N 3.34Å; Q382-M384 PolarHBondContact O-N 3.41Å; Q382-G385 WeakPolarHBondContact O-CA 3.48Å; Q382-G385 PolarHBondContact O-N 3.01Å
383Q88Confident88Confident117 Ų11764.6 Ų64.655%0.54732%0.315SS..Hα-helixtrans-59.7-43.5175.3-73.5175.2-14.100111.6R379 A380 G385R379-Q383 WeakPolarHBondContact O-CG 3.42Å; R379-Q383 PolarHBondContact O-N 3.18Å; A380-Q383 PolarHBondContact O-N 3.49Å; Q383-G385 PolarHBondContact O-N 3.15Å; Q383-G385 VanDerWaalsContact O-N 3.15Å
384M88.6Confident88.3Confident56 Ų5664.5 Ų64.528%0.27631%0.314SS..THydrogen-bonded Turntrans-72.73.3173.2-69.6180-78.300114.3A380 M381 Q382 V386 W420 T465 L466A380-M384 HydrophobicContact CB-CE 4.3Å; A380-M384 WeakPolarHBondContact O-CE 3.19Å; A380-M384 PolarHBondContact O-N 3.18Å; A380-M384 VanDerWaalsContact O-N 3.13Å; M381-M384 CarbonylContact O-C 3.57Å; M381-M384 PolarHBondContact O-N 2.65Å; Q382-M384 VanDerWaalsContact C-N 3.34Å; Q382-M384 PolarHBondContact O-N 3.41Å; M384-V386 VanDerWaalsContact C-N 3.27Å; M384-V386 HydrophobicContact CB-CG2 4.21Å; M384-V386 PolarHBondContact O-N 3.35Å; M384-W420 HydrophobicContact CE-CH2 3.63Å; M384-W420 HydrophobicContact CE-CZ3 4.34Å; M384-W420 HydrophobicContact SD-CH2 3.79Å; M384-W420 HydrophobicContact SD-CZ2 4.18Å; M384-T465 HydrophobicContact CE-CG2 3.82Å; M384-T465 HydrophobicContact CG-CG2 3.86Å; M384-T465 HydrophobicContact SD-CG2 3.68Å; M384-L466 HydrophobicContact CE-CD2 3.67Å; M384-L466 HydrophobicContact CE-CG 3.88Å
385G86.7Confident88.5Confident29 Ų2963 Ų6330%0.29930%0.303SS..THydrogen-bonded Turntrans74.111.8179.300000115.2M381 Q382 Q383 A387M381-G385 PolarHBondContact O-N 3.21Å; Q382-G385 WeakPolarHBondContact O-CA 3.48Å; Q382-G385 PolarHBondContact O-N 3.01Å; Q383-G385 PolarHBondContact O-N 3.15Å; Q383-G385 VanDerWaalsContact O-N 3.15Å; G385-A387 PolarHBondContact O-N 2.98Å
386V86.7Confident88.7Confident18 Ų1858.5 Ų58.511%0.10928%0.275CS..THydrogen-bonded Turntrans-74.3125.7178-175.10000109.5M381 M384 R388 W420M381-V386 HydrophobicContact CB-CB 4.13Å; M381-V386 HydrophobicContact CE-CB 4.37Å; M381-V386 HydrophobicContact CE-CG1 3.64Å; M381-V386 WeakPolarHBondContact O-CB 3.21Å; M381-V386 PolarHBondContact O-N 3.15Å; M384-V386 VanDerWaalsContact C-N 3.27Å; M384-V386 HydrophobicContact CB-CG2 4.21Å; M384-V386 PolarHBondContact O-N 3.35Å; V386-R388 VanDerWaalsContact C-N 3.28Å; V386-R388 PolarHBondContact O-N 3.47Å; V386-W420 HydrophobicContact CG1-CD2 4.24Å; V386-W420 HydrophobicContact CG1-CE3 4.12Å; V386-W420 HydrophobicContact CG2-CD2 3.86Å; V386-W420 HydrophobicContact CG2-CE3 3.96Å; V386-W420 HydrophobicContact CG2-CH2 3.95Å; V386-W420 HydrophobicContact CG2-CZ2 3.82Å; V386-W420 HydrophobicContact CG2-CZ3 4.01Å
387A81.3Confident88.8Confident21 Ų2155.7 Ų55.717%0.17426%0.26CS..THydrogen-bonded Turntrans51.836.7176.300000115.7L367 G385 S389 R390 W399L367-A387 HydrophobicContact CD1-CB 3.99Å; L367-A387 HydrophobicContact CG-CB 3.99Å; G385-A387 PolarHBondContact O-N 2.98Å; A387-S389 PolarHBondContact O-N 3.24Å; A387-R390 WeakPolarHBondContact CA-O 2.91Å; A387-R390 WeakPolarHBondContact CB-O 3.44Å; A387-W399 HydrophobicContact CB-CH2 3.77Å; A387-W399 HydrophobicContact CB-CZ3 4.49Å
388R75.9Confident89Confident199 Ų19955.7 Ų55.775%0.75126%0.26SS*.SBendtrans-46.7-36.6177.7-77-176.6175.4167.44.2114.7V386V386-R388 VanDerWaalsContact C-N 3.28Å; V386-R388 PolarHBondContact O-N 3.47Å
389S77.3Confident89.1Confident109 Ų10953.1 Ų53.176%0.76225%0.25SS*.SBendtrans-118.9-31.4179.157.50000114.3A387A387-S389 PolarHBondContact O-N 3.24Å
390R86.9Confident89.3Confident148 Ų14846.7 Ų46.756%0.55823%0.228SC*.SBendtrans-162.6154.7178.763.6-171.7-177.3-177.60.6111.8Y365 A387Y365-R390 HydrophobicContact CE1-CB 4.1Å; A387-R390 WeakPolarHBondContact CA-O 2.91Å; A387-R390 WeakPolarHBondContact CB-O 3.44Å
391A90.6Very high89.4Confident1 Ų146.9 Ų46.91%0.00823%0.229CC..  trans-68.2143.2169.700000110.9Y365 Q395 R396 W399Y365-A391 WeakPolarHBondContact O-CB 3.49Å; Y365-A391 PolarHBondContact O-N 3.06Å; A391-Q395 HydrophobicContact CB-CB 4.43Å; A391-R396 HydrophobicContact CB-CG 3.91Å; A391-R396 PolarHBondContact O-NE 3.42Å; A391-R396 PolarHBondContact O-NH2 3.11Å; A391-W399 HydrophobicContact CB-CE3 4.12Å; A391-W399 HydrophobicContact CB-CH2 3.96Å; A391-W399 HydrophobicContact CB-CZ3 3.48Å; A391-W399 VanDerWaalsContact CB-CZ3 3.48Å
392R91.8Very high89.5Confident127 Ų12747 Ų4748%0.47923%0.229SC..  trans-72.2154.8174.8-59.8-179172-168.8-9.6110.7V394 Q395 R396 Q415 I416R392-V394 PolarHBondContact O-N 2.75Å; R392-Q395 HydrophobicContact CB-CG 4.23Å; R392-Q395 VanDerWaalsContact N-OE1 3.12Å; R392-Q395 WeakPolarHBondContact O-CA 3.3Å; R392-Q395 VanDerWaalsContact O-CB 3.31Å; R392-Q395 WeakPolarHBondContact O-CB 3.5Å; R392-Q395 PolarHBondContact O-N 3.1Å; R392-R396 WeakPolarHBondContact O-CG 3.49Å; R392-R396 PolarHBondContact O-N 3.25Å; R392-R396 VanDerWaalsContact O-N 3.17Å; R392-Q415 PolarHBondContact NH1-O 2.85Å; R392-I416 WeakPolarHBondContact CD-O 3.41Å; R392-I416 PolarHBondContact NH1-O 3.43Å
393A90.8Very high89.5Confident22 Ų2242 Ų4218%0.18221%0.206CC..Hα-helixtrans-50.5-51.2-165.100000114.2Y351 V353 Q395 R396 F397Y351-A393 WeakPolarHBondContact O-CB 3.48Å; V353-A393 HydrophobicContact CG2-CB 3.47Å; V353-A393 VanDerWaalsContact CG2-CB 3.47Å; A393-Q395 PolarHBondContact O-N 3.39Å; A393-R396 WeakPolarHBondContact O-CB 3.36Å; A393-R396 PolarHBondContact O-N 3.35Å; A393-F397 WeakPolarHBondContact O-CD2 3.45Å
394V93.5Very high89.5Confident0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-65.4-35.4176.5-66.70000113.7V353 R392 R396 F397 A398 V410 I416 L592 D594V353-V394 HydrophobicContact CG1-CG1 4.25Å; V353-V394 HydrophobicContact CG2-CG1 3.67Å; R392-V394 PolarHBondContact O-N 2.75Å; V394-R396 VanDerWaalsContact C-N 3.25Å; V394-R396 PolarHBondContact O-N 3.45Å; V394-F397 PolarHBondContact O-N 2.76Å; V394-A398 WeakPolarHBondContact O-CB 3.48Å; V394-A398 PolarHBondContact O-N 3.14Å; V394-V410 HydrophobicContact CB-CG1 4.05Å; V394-V410 HydrophobicContact CG1-CG1 4.06Å; V394-V410 HydrophobicContact CG2-CG1 4.18Å; V394-I416 HydrophobicContact CG1-CD1 4.45Å; V394-I416 HydrophobicContact CG2-CD1 4.45Å; V394-L592 HydrophobicContact CB-CD1 4.2Å; V394-L592 HydrophobicContact CG1-CB 4.34Å; V394-L592 WeakPolarHBondContact O-CD1 3.24Å; V394-D594 HydrophobicContact CG1-CB 3.77Å
395Q94.2Very high89.6Confident2 Ų238.2 Ų38.21%0.00919%0.192CC..Hα-helixtrans-64.4-32.1-179.4-63.6170.8-19.300111.8A391 R392 A393 F397 A398 W399 G417 W420A391-Q395 HydrophobicContact CB-CB 4.43Å; R392-Q395 HydrophobicContact CB-CG 4.23Å; R392-Q395 VanDerWaalsContact N-OE1 3.12Å; R392-Q395 WeakPolarHBondContact O-CA 3.3Å; R392-Q395 VanDerWaalsContact O-CB 3.31Å; R392-Q395 WeakPolarHBondContact O-CB 3.5Å; R392-Q395 PolarHBondContact O-N 3.1Å; A393-Q395 PolarHBondContact O-N 3.39Å; Q395-F397 PolarHBondContact O-N 3.47Å; Q395-A398 PolarHBondContact O-N 2.86Å; Q395-W399 HydrophobicContact CB-CD2 4.09Å; Q395-W399 HydrophobicContact CB-CH2 4.34Å; Q395-W399 HydrophobicContact CB-CZ2 3.88Å; Q395-W399 HydrophobicContact CG-CZ2 4.13Å; Q395-W399 WeakPolarHBondContact O-CB 3.18Å; Q395-W399 PolarHBondContact O-N 2.72Å; Q395-G417 PolarHBondContact NE2-O 3.34Å; Q395-W420 VanDerWaalsContact NE2-CB 3.29Å
396R93.6Very high89.8Confident12 Ų1238 Ų385%0.04518%0.183CC..Hα-helixtrans-55.3-37.8177.5-60.5-178.6174.7-134.4-23.4112.9P363 C364 Y365 A391 R392 A393 V394 P400P363-R396 CarbonylContact C-O 3.56Å; P363-R396 WeakPolarHBondContact CA-O 3.21Å; P363-R396 HydrophobicContact CB-CB 4.14Å; C364-R396 PolarHBondContact N-O 3.25Å; C364-R396 WeakPolarHBondContact O-CA 3.42Å; C364-R396 WeakPolarHBondContact O-CB 3.31Å; C364-R396 WeakPolarHBondContact O-CG 3.33Å; C364-R396 PolarHBondContact SG-O 2.96Å; Y365-R396 PolarHBondContact O-NH2 3.34Å; A391-R396 HydrophobicContact CB-CG 3.91Å; A391-R396 PolarHBondContact O-NE 3.42Å; A391-R396 PolarHBondContact O-NH2 3.11Å; R392-R396 WeakPolarHBondContact O-CG 3.49Å; R392-R396 PolarHBondContact O-N 3.25Å; R392-R396 VanDerWaalsContact O-N 3.17Å; A393-R396 WeakPolarHBondContact O-CB 3.36Å; A393-R396 PolarHBondContact O-N 3.35Å; V394-R396 VanDerWaalsContact C-N 3.25Å; V394-R396 PolarHBondContact O-N 3.45Å; R396-P400 WeakPolarHBondContact O-CD 3.24Å; R396-P400 WeakPolarHBondContact O-CG 3.36Å
397F94.6Very high90.2Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-94.5-36.4178.7-59.1-86.6000112Y348 N350 Y351 V353 V361 P363 A393 V394 Q395 P400 L590 L592Y348-F397 HydrophobicContact CD1-CE1 4.32Å; Y348-F397 HydrophobicContact CG-CD1 4.49Å; Y348-F397 HydrophobicContact CG-CE1 4.13Å; N350-F397 HydrophobicContact CB-CZ 4.13Å; Y351-F397 HydrophobicContact CD2-CE2 4.09Å; Y351-F397 HydrophobicContact CD2-CZ 4.11Å; V353-F397 HydrophobicContact CB-CE2 4.2Å; V353-F397 HydrophobicContact CG1-CD2 4.22Å; V353-F397 HydrophobicContact CG1-CE2 4.22Å; V361-F397 HydrophobicContact CG1-CB 4.27Å; V361-F397 HydrophobicContact CG1-CD1 4.3Å; P363-F397 HydrophobicContact CB-CD1 3.85Å; P363-F397 HydrophobicContact CB-CE1 3.78Å; P363-F397 HydrophobicContact CB-CG 4.35Å; P363-F397 HydrophobicContact CB-CZ 4.22Å; P363-F397 HydrophobicContact CG-CD1 4.43Å; P363-F397 HydrophobicContact CG-CE1 3.97Å; P363-F397 HydrophobicContact CG-CZ 4.48Å; A393-F397 WeakPolarHBondContact O-CD2 3.45Å; V394-F397 PolarHBondContact O-N 2.76Å; Q395-F397 PolarHBondContact O-N 3.47Å; F397-P400 WeakPolarHBondContact O-CG 3.38Å; F397-L590 HydrophobicContact CB-CD2 4.08Å; F397-L590 WeakPolarHBondContact O-CD2 3.45Å; F397-L592 HydrophobicContact CB-CD1 4.09Å; F397-L592 HydrophobicContact CB-CD2 3.81Å; F397-L592 HydrophobicContact CD2-CD2 4.4Å; F397-L592 HydrophobicContact CG-CD2 4.23Å
398A95.3Very high90.9Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-68.6-47-175.800000112.7V394 Q395 H401 V402 V408 L592V394-A398 WeakPolarHBondContact O-CB 3.48Å; V394-A398 PolarHBondContact O-N 3.14Å; Q395-A398 PolarHBondContact O-N 2.86Å; A398-H401 PolarHBondContact O-N 2.92Å; A398-V402 VanDerWaalsContact O-CB 3.28Å; A398-V402 WeakPolarHBondContact O-CB 3.41Å; A398-V402 WeakPolarHBondContact O-CG2 3.49Å; A398-V402 PolarHBondContact O-N 3.05Å; A398-V408 HydrophobicContact CB-CG2 4.39Å; A398-L592 HydrophobicContact CB-CD1 3.88Å
399W94.8Very high91.9Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-54.5-54.8-179-67.6-19.8000113.4L367 A370 I373 M381 A387 A391 Q395 H401 V402 S403 W420L367-W399 HydrophobicContact CD2-CE3 4.21Å; L367-W399 HydrophobicContact CD2-CH2 3.45Å; L367-W399 VanDerWaalsContact CD2-CH2 3.45Å; L367-W399 HydrophobicContact CD2-CZ2 4.12Å; L367-W399 HydrophobicContact CD2-CZ3 3.49Å; L367-W399 VanDerWaalsContact CD2-CZ3 3.49Å; L367-W399 HydrophobicContact CG-CH2 3.92Å; L367-W399 HydrophobicContact CG-CZ3 3.91Å; A370-W399 HydrophobicContact CB-CB 4.22Å; A370-W399 HydrophobicContact CB-CE3 3.98Å; I373-W399 HydrophobicContact CD1-CB 4.17Å; I373-W399 HydrophobicContact CD1-CD2 4.28Å; I373-W399 HydrophobicContact CD1-CG 4.04Å; M381-W399 HydrophobicContact CE-CH2 4.07Å; M381-W399 HydrophobicContact CE-CZ2 3.56Å; A387-W399 HydrophobicContact CB-CH2 3.77Å; A387-W399 HydrophobicContact CB-CZ3 4.49Å; A391-W399 HydrophobicContact CB-CE3 4.12Å; A391-W399 HydrophobicContact CB-CH2 3.96Å; A391-W399 HydrophobicContact CB-CZ3 3.48Å; A391-W399 VanDerWaalsContact CB-CZ3 3.48Å; Q395-W399 HydrophobicContact CB-CD2 4.09Å; Q395-W399 HydrophobicContact CB-CH2 4.34Å; Q395-W399 HydrophobicContact CB-CZ2 3.88Å; Q395-W399 HydrophobicContact CG-CZ2 4.13Å; Q395-W399 WeakPolarHBondContact O-CB 3.18Å; Q395-W399 PolarHBondContact O-N 2.72Å; W399-H401 PolarHBondContact O-N 2.89Å; W399-V402 PolarHBondContact O-N 2.55Å; W399-S403 VanDerWaalsContact O-CB 3.22Å; W399-S403 WeakPolarHBondContact O-CB 3.48Å; W399-S403 PolarHBondContact O-N 3.29Å; W399-S403 PolarHBondContact O-OG 3.36Å; W399-S403 VanDerWaalsContact O-OG 3.08Å; W399-W420 PolarHBondContact NE1-O 2.87Å
400P92.9Very high92.8Very high13 Ų1321.7 Ų21.78%0.08410%0.098CC..Hα-helixtrans-66.6-19.2179.825-34.5000114.9V361 V362 P371 R396 F397 L404V361-P400 HydrophobicContact CG1-CG 4.36Å; V362-P400 WeakPolarHBondContact O-CG 3.46Å; P371-P400 HydrophobicContact CG-CB 3.73Å; R396-P400 WeakPolarHBondContact O-CD 3.24Å; R396-P400 WeakPolarHBondContact O-CG 3.36Å; F397-P400 WeakPolarHBondContact O-CG 3.38Å; P400-L404 WeakPolarHBondContact O-CD1 3.28Å; P400-L404 WeakPolarHBondContact O-CG 3.49Å
401H93.1Very high93.2Very high4 Ų414.7 Ų14.72%0.0197%0.072CC..Hα-helixtrans-89.6-42.9177.3-175.790.3000111.9V361 A398 W399 L404 K406 S407 D588 L590V361-H401 HydrophobicContact CG1-CB 4.43Å; V361-H401 HydrophobicContact CG2-CB 4.38Å; A398-H401 PolarHBondContact O-N 2.92Å; W399-H401 PolarHBondContact O-N 2.89Å; H401-L404 PolarHBondContact O-N 2.63Å; H401-K406 WeakPolarHBondContact NE2-CB 3.31Å; H401-K406 PolarHBondContact O-N 3.08Å; H401-S407 PolarHBondContact CD2-O 3.43Å; H401-S407 PolarHBondContact NE2-O 3.01Å; H401-D588 PolarHBondContact CE1-O 3.24Å; H401-D588 PolarHBondContact NE2-O 3.1Å; H401-L590 HydrophobicContact CB-CB 4.47Å; H401-L590 HydrophobicContact CB-CD2 3.63Å; H401-L590 WeakPolarHBondContact CD2-CB 2.95Å; H401-L590 VanDerWaalsContact NE2-CB 3.33Å; H401-L590 WeakPolarHBondContact NE2-CB 3.39Å; H401-L590 PolarHBondContact NE2-N 2.93Å
402V93.3Very high93.3Very high1 Ų114.6 Ų14.61%0.0067%0.071CC..Hα-helixtrans-70-36.2179.21740000111.1A398 W399 L404 G405 V408 T425 Q565 L567A398-V402 VanDerWaalsContact O-CB 3.28Å; A398-V402 WeakPolarHBondContact O-CB 3.41Å; A398-V402 WeakPolarHBondContact O-CG2 3.49Å; A398-V402 PolarHBondContact O-N 3.05Å; W399-V402 PolarHBondContact O-N 2.55Å; V402-L404 PolarHBondContact O-N 3.48Å; V402-G405 PolarHBondContact O-N 2.94Å; V402-V408 HydrophobicContact CG2-CB 3.78Å; V402-V408 HydrophobicContact CG2-CG1 3.58Å; V402-V408 HydrophobicContact CG2-CG2 4.36Å; V402-T425 HydrophobicContact CG1-CG2 4.11Å; V402-Q565 PolarHBondContact O-NE2 2.93Å; V402-Q565 VanDerWaalsContact O-NE2 3.1Å; V402-L567 HydrophobicContact CG1-CD2 4.02Å; V402-L567 HydrophobicContact CG2-CD2 4.17Å
403S89.9Confident93Very high2 Ų211.7 Ų11.71%0.0147%0.065CC..THydrogen-bonded Turntrans-65.4-20.1177.2720000113.9P371 W399 G405 R429P371-S403 WeakPolarHBondContact O-CB 3.4Å; P371-S403 PolarHBondContact O-OG 3.44Å; W399-S403 VanDerWaalsContact O-CB 3.22Å; W399-S403 WeakPolarHBondContact O-CB 3.48Å; W399-S403 PolarHBondContact O-N 3.29Å; W399-S403 PolarHBondContact O-OG 3.36Å; W399-S403 VanDerWaalsContact O-OG 3.08Å; S403-G405 VanDerWaalsContact C-N 3.34Å; S403-R429 PolarHBondContact O-NH2 2.92Å
404L88.8Confident92.5Very high90 Ų9015.4 Ų15.447%0.4718%0.081SC..THydrogen-bonded Turntrans-86.32.1169.6-62.6175.7000113.8P400 H401 V402 K406P400-L404 WeakPolarHBondContact O-CD1 3.28Å; P400-L404 WeakPolarHBondContact O-CG 3.49Å; H401-L404 PolarHBondContact O-N 2.63Å; V402-L404 PolarHBondContact O-N 3.48Å; L404-K406 HydrophobicContact CB-CG 4.5Å
405G88.8Confident92Very high5 Ų523.9 Ų23.95%0.05212%0.121CC..THydrogen-bonded Turntrans80.418.2178.100000115.1V402 S403 R429 Q565V402-G405 PolarHBondContact O-N 2.94Å; S403-G405 VanDerWaalsContact C-N 3.34Å; G405-R429 VanDerWaalsContact N-NH2 3.14Å; G405-Q565 VanDerWaalsContact C-CD 3.48Å; G405-Q565 VanDerWaalsContact C-NE2 3.31Å
406K91.9Very high91.5Very high25 Ų2524.8 Ų24.811%0.10913%0.126CC..  trans-94.2143.5178.6-58.6-174.2179.6-1700111.4H359 H401 L404 Q561 Q565H359-K406 PolarHBondContact CD2-NZ 2.78Å; H359-K406 PolarHBondContact CE1-NZ 2.68Å; H359-K406 PolarHBondContact ND1-NZ 3.18Å; H359-K406 PolarHBondContact NE2-NZ 2.82Å; H401-K406 WeakPolarHBondContact NE2-CB 3.31Å; H401-K406 PolarHBondContact O-N 3.08Å; L404-K406 HydrophobicContact CB-CG 4.5Å; K406-Q561 HydrophobicContact CG-CG 4.26Å; K406-Q565 PolarHBondContact O-NE2 2.74Å
407S94.6Very high91.3Very high4 Ų424.6 Ų24.63%0.02813%0.127CC..  trans-64.8148.7-177-60.90000112.1H401 L566 V589 L590H401-S407 PolarHBondContact CD2-O 3.43Å; H401-S407 PolarHBondContact NE2-O 3.01Å; S407-L566 WeakPolarHBondContact CA-O 3.42Å; S407-L566 WeakPolarHBondContact CB-O 3.2Å; S407-L566 PolarHBondContact OG-N 3.32Å; S407-L566 VanDerWaalsContact OG-N 3.14Å; S407-L566 PolarHBondContact OG-O 3.5Å; S407-V589 WeakPolarHBondContact O-CA 3.32Å; S407-L590 PolarHBondContact O-N 3.02Å
408V96Very high91.3Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-137.2140.6-179.877.60000111.3A398 V402 V410 Y422 L566 L567 V568 M586 L590 L592A398-V408 HydrophobicContact CB-CG2 4.39Å; V402-V408 HydrophobicContact CG2-CB 3.78Å; V402-V408 HydrophobicContact CG2-CG1 3.58Å; V402-V408 HydrophobicContact CG2-CG2 4.36Å; V408-V410 HydrophobicContact CG1-CG2 4.38Å; V408-V410 HydrophobicContact CG2-CG2 3.93Å; V408-Y422 HydrophobicContact CG1-CD1 4.15Å; V408-L566 PolarHBondContact N-O 2.94Å; V408-L567 HydrophobicContact CG1-CD2 3.76Å; V408-V568 PolarHBondContact O-N 2.98Å; V408-M586 VanDerWaalsContact O-CE 3.31Å; V408-M586 WeakPolarHBondContact O-CE 3.4Å; V408-L590 WeakPolarHBondContact CA-O 3.47Å; V408-L590 HydrophobicContact CG2-CB 4.22Å; V408-L590 HydrophobicContact CG2-CD2 4.29Å; V408-L590 HydrophobicContact CG2-CG 4.3Å; V408-L590 VanDerWaalsContact CG2-O 3.32Å; V408-L590 WeakPolarHBondContact CG2-O 3.47Å; V408-L592 HydrophobicContact CG2-CD1 4.41Å
409L96.6Very high91.3Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-122.8113.5172.6172.157.8000108.9V411 V568 W573 M578 I582 L583 M586 V589 L590 V591 L592L409-V411 HydrophobicContact CD1-CG2 4.23Å; L409-V411 HydrophobicContact CG-CG2 4.35Å; L409-V568 WeakPolarHBondContact CA-O 3.34Å; L409-V568 HydrophobicContact CD1-CB 3.71Å; L409-V568 HydrophobicContact CD1-CG1 3.59Å; L409-W573 HydrophobicContact CD2-CH2 4.15Å; L409-W573 HydrophobicContact CD2-CZ3 3.66Å; L409-M578 HydrophobicContact CD1-SD 4.09Å; L409-M578 HydrophobicContact CD2-SD 4.1Å; L409-I582 HydrophobicContact CD2-CG2 4.49Å; L409-L583 HydrophobicContact CD2-CD2 4.06Å; L409-M586 HydrophobicContact CB-CE 4.27Å; L409-V589 HydrophobicContact CB-CG2 3.99Å; L409-L590 PolarHBondContact N-O 2.73Å; L409-V591 HydrophobicContact CB-CG2 4.48Å; L409-V591 HydrophobicContact CD2-CG1 4.29Å; L409-V591 HydrophobicContact CD2-CG2 4.48Å; L409-V591 HydrophobicContact CG-CG1 4.36Å; L409-V591 CarbonylContact O-C 3.51Å; L409-V591 WeakPolarHBondContact O-CA 3.29Å; L409-L592 PolarHBondContact O-N 2.79Å
410V96.8Very high91.3Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-112.4118.2-177.4-169.60000110.8V394 V408 K418 V568 S569 G570 L592V394-V410 HydrophobicContact CB-CG1 4.05Å; V394-V410 HydrophobicContact CG1-CG1 4.06Å; V394-V410 HydrophobicContact CG2-CG1 4.18Å; V408-V410 HydrophobicContact CG1-CG2 4.38Å; V408-V410 HydrophobicContact CG2-CG2 3.93Å; V410-K418 HydrophobicContact CB-CG 4.45Å; V410-K418 HydrophobicContact CG1-CB 4.4Å; V410-K418 HydrophobicContact CG1-CD 4.22Å; V410-K418 HydrophobicContact CG1-CG 3.89Å; V410-K418 WeakPolarHBondContact O-CD 3.33Å; V410-V568 PolarHBondContact N-O 2.97Å; V410-S569 CarbonylContact O-C 3.59Å; V410-S569 WeakPolarHBondContact O-CA 3.28Å; V410-G570 PolarHBondContact O-N 2.68Å; V410-L592 HydrophobicContact CG1-CB 4.4Å; V410-L592 HydrophobicContact CG2-CD1 4.33Å
411V95.5Very high91.4Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-116.3134.4179.5-176.30000110.9L409 W573 L592 F593 D594 E598L409-V411 HydrophobicContact CD1-CG2 4.23Å; L409-V411 HydrophobicContact CG-CG2 4.35Å; V411-W573 HydrophobicContact CG2-CE3 4.07Å; V411-L592 PolarHBondContact N-O 2.98Å; V411-F593 HydrophobicContact CB-CD1 3.94Å; V411-F593 HydrophobicContact CB-CE1 4.16Å; V411-F593 HydrophobicContact CG1-CD1 4.2Å; V411-F593 HydrophobicContact CG1-CE1 4.37Å; V411-F593 HydrophobicContact CG2-CE1 4.45Å; V411-F593 WeakPolarHBondContact O-CA 3.37Å; V411-D594 PolarHBondContact O-N 3.25Å; V411-E598 HydrophobicContact CG1-CB 4.34Å
412G92Very high91.5Very high0 Ų026.4 Ų26.40%014%0.135CC..  trans156.2-175.6172.600000112.6K418 G570 R571G412-K418 PolarHBondContact O-NZ 3.39Å; G412-G570 PolarHBondContact N-O 2.99Å; G412-R571 WeakPolarHBondContact O-CA 3.23Å
413N86.3Confident91.6Very high66 Ų6626.3 Ų26.335%0.35313%0.134SC..  trans-59172.8-167.7-64.2-73.4000115I416 K418 D595 K716N413-I416 HydrophobicContact CB-CG2 4.09Å; N413-K418 PolarHBondContact O-NZ 2.77Å; N413-D595 PolarHBondContact ND2-OD2 2.9Å; N413-D595 PolarHBondContact OD1-OD2 3.34Å; N413-K716 PolarHBondContact ND2-NZ 3.18Å; N413-K716 PolarHBondContact OD1-NZ 3.45Å
414L81Confident91.8Very high99 Ų9926.2 Ų26.252%0.51813%0.134SC..THydrogen-bonded Turntrans-57.7153.8166.4-84.2179.1000110.9I416L414-I416 PolarHBondContact O-N 2.72Å
415Q81.4Confident92Very high179 Ų17922.4 Ų22.484%0.83611%0.114SC*.THydrogen-bonded Turntrans58.812.1172.1-57.3179.4-1.100116.8R392 G417R392-Q415 PolarHBondContact NH1-O 2.85Å; Q415-G417 PolarHBondContact O-N 2.99Å
416I84.8Confident92.3Very high20 Ų2022.4 Ų22.410%0.10311%0.113CC..SBendtrans-72.4-13.5173.270.1170.6000113.3R392 V394 N413 L414 K418 D594R392-I416 WeakPolarHBondContact CD-O 3.41Å; R392-I416 PolarHBondContact NH1-O 3.43Å; V394-I416 HydrophobicContact CG1-CD1 4.45Å; V394-I416 HydrophobicContact CG2-CD1 4.45Å; N413-I416 HydrophobicContact CB-CG2 4.09Å; L414-I416 PolarHBondContact O-N 2.72Å; I416-K418 HydrophobicContact CD1-CD 4.13Å; I416-K418 HydrophobicContact CD1-CG 3.65Å; I416-K418 HydrophobicContact CG1-CD 4.34Å; I416-K418 HydrophobicContact CG1-CG 3.5Å; I416-D594 HydrophobicContact CD1-CB 3.48Å; I416-D594 VanDerWaalsContact CD1-CB 3.48Å; I416-D594 VanDerWaalsContact CG2-OD2 3.23Å; I416-D594 WeakPolarHBondContact CG2-OD2 3.42Å
417G89.2Confident92.4Very high8 Ų821.2 Ų21.28%0.08211%0.108CC..  trans96.429.5179.600000114.8Q395 Q415 W420 S421Q395-G417 PolarHBondContact NE2-O 3.34Å; Q415-G417 PolarHBondContact O-N 2.99Å; G417-W420 CarbonylContact O-C 3.57Å; G417-W420 PolarHBondContact O-N 3.2Å; G417-S421 PolarHBondContact O-N 2.78Å; G417-S421 VanDerWaalsContact O-N 3.13Å; G417-S421 PolarHBondContact O-OG 3.48Å
418K94.1Very high92.4Very high11 Ų1121.7 Ų21.75%0.04811%0.11CC..SBendtrans-54.5-57.8179.7-61.4-164-70.4-91.40113.3V410 G412 N413 I416 W420 S421 Y422 N534 S569 G570V410-K418 HydrophobicContact CB-CG 4.45Å; V410-K418 HydrophobicContact CG1-CB 4.4Å; V410-K418 HydrophobicContact CG1-CD 4.22Å; V410-K418 HydrophobicContact CG1-CG 3.89Å; V410-K418 WeakPolarHBondContact O-CD 3.33Å; G412-K418 PolarHBondContact O-NZ 3.39Å; N413-K418 PolarHBondContact O-NZ 2.77Å; I416-K418 HydrophobicContact CD1-CD 4.13Å; I416-K418 HydrophobicContact CD1-CG 3.65Å; I416-K418 HydrophobicContact CG1-CD 4.34Å; I416-K418 HydrophobicContact CG1-CG 3.5Å; K418-W420 VanDerWaalsContact C-N 3.27Å; K418-W420 PolarHBondContact O-N 3.47Å; K418-S421 WeakPolarHBondContact O-CA 3.29Å; K418-S421 WeakPolarHBondContact O-CB 3.23Å; K418-S421 PolarHBondContact O-N 3.31Å; K418-S421 PolarHBondContact O-OG 3.4Å; K418-Y422 WeakPolarHBondContact O-CE1 3.35Å; K418-N534 WeakPolarHBondContact CE-OD1 3.22Å; K418-S569 WeakPolarHBondContact CE-OG 3.41Å; K418-G570 WeakPolarHBondContact CD-O 3.42Å; K418-G570 WeakPolarHBondContact CE-O 3.34Å; K418-G570 PolarHBondContact NZ-O 3.36Å; K418-G570 VanDerWaalsContact NZ-O 3.15Å
419T95.1Very high92.1Very high18 Ų1825.6 Ų25.611%0.1113%0.125CC..G310 helixtrans-53.5-45.9177.6-37.50000111.2S421 Y422 L423 F448 I459 W462 D533T419-S421 PolarHBondContact O-N 2.87Å; T419-S421 VanDerWaalsContact O-N 3.1Å; T419-Y422 PolarHBondContact O-N 2.86Å; T419-L423 HydrophobicContact CG2-CB 4.43Å; T419-L423 HydrophobicContact CG2-CD2 4.35Å; T419-L423 WeakPolarHBondContact O-CB 3.29Å; T419-L423 PolarHBondContact O-N 2.69Å; T419-F448 HydrophobicContact CG2-CZ 4.03Å; T419-I459 HydrophobicContact CG2-CD1 4.2Å; T419-I459 HydrophobicContact CG2-CG1 4.24Å; T419-W462 HydrophobicContact CG2-CZ3 4.29Å; T419-D533 WeakPolarHBondContact CB-OD2 3.49Å; T419-D533 VanDerWaalsContact CG2-OD2 3.25Å; T419-D533 WeakPolarHBondContact CG2-OD2 3.5Å; T419-D533 PolarHBondContact OG1-OD1 2.84Å; T419-D533 PolarHBondContact OG1-OD2 2.93Å
420W94.6Very high92Very high26 Ų2625.8 Ų25.810%0.09813%0.126CC..G310 helixtrans-65-9.2175.6-76.2106000115.4M381 M384 V386 Q395 W399 G417 K418 Y422 L423 P424 W462 L466M381-W420 HydrophobicContact CE-CE3 4.17Å; M381-W420 HydrophobicContact CE-CZ3 4.46Å; M381-W420 HydrophobicContact CG-CZ3 4.13Å; M384-W420 HydrophobicContact CE-CH2 3.63Å; M384-W420 HydrophobicContact CE-CZ3 4.34Å; M384-W420 HydrophobicContact SD-CH2 3.79Å; M384-W420 HydrophobicContact SD-CZ2 4.18Å; V386-W420 HydrophobicContact CG1-CD2 4.24Å; V386-W420 HydrophobicContact CG1-CE3 4.12Å; V386-W420 HydrophobicContact CG2-CD2 3.86Å; V386-W420 HydrophobicContact CG2-CE3 3.96Å; V386-W420 HydrophobicContact CG2-CH2 3.95Å; V386-W420 HydrophobicContact CG2-CZ2 3.82Å; V386-W420 HydrophobicContact CG2-CZ3 4.01Å; Q395-W420 VanDerWaalsContact NE2-CB 3.29Å; W399-W420 PolarHBondContact NE1-O 2.87Å; G417-W420 CarbonylContact O-C 3.57Å; G417-W420 PolarHBondContact O-N 3.2Å; K418-W420 VanDerWaalsContact C-N 3.27Å; K418-W420 PolarHBondContact O-N 3.47Å; W420-Y422 PolarHBondContact O-N 2.8Å; W420-L423 HydrophobicContact CH2-CD2 4.35Å; W420-L423 HydrophobicContact CZ2-CD2 4.47Å; W420-L423 HydrophobicContact CZ3-CD2 4.4Å; W420-P424 HydrophobicContact CE3-CG 3.94Å; W420-P424 HydrophobicContact CZ3-CG 4.19Å; W420-W462 HydrophobicContact CH2-CB 4.15Å; W420-W462 HydrophobicContact CH2-CG 4.31Å; W420-W462 HydrophobicContact CZ2-CB 3.94Å; W420-W462 AromaticContact CZ2-CD1 3.84Å; W420-W462 AromaticContact CZ2-CD2 3.86Å; W420-W462 HydrophobicContact CZ2-CD2 3.86Å; W420-W462 HydrophobicContact CZ2-CE3 4.44Å; W420-W462 AromaticContact CZ2-CG 3.62Å; W420-W462 HydrophobicContact CZ2-CG 3.62Å; W420-L466 HydrophobicContact CH2-CD1 4.22Å; W420-L466 HydrophobicContact CZ3-CD1 4.02Å; W420-L466 HydrophobicContact CZ3-CD2 4.23Å
421S95.1Very high91.8Very high0 Ų026.5 Ų26.50%013%0.129CC..G310 helixtrans-75.9-14.1175.8-55.60000112.7G417 K418 T419G417-S421 PolarHBondContact O-N 2.78Å; G417-S421 VanDerWaalsContact O-N 3.13Å; G417-S421 PolarHBondContact O-OG 3.48Å; K418-S421 WeakPolarHBondContact O-CA 3.29Å; K418-S421 WeakPolarHBondContact O-CB 3.23Å; K418-S421 PolarHBondContact O-N 3.31Å; K418-S421 PolarHBondContact O-OG 3.4Å; T419-S421 PolarHBondContact O-N 2.87Å; T419-S421 VanDerWaalsContact O-N 3.1Å
422Y95.5Very high91.5Very high0 Ų029.6 Ų29.60%014%0.143CC..THydrogen-bonded Turntrans-142.8-23.5178.352.7-101.2000114.8V408 K418 T419 W420 T425 V426 F448 A531 D533 L567V408-Y422 HydrophobicContact CG1-CD1 4.15Å; K418-Y422 WeakPolarHBondContact O-CE1 3.35Å; T419-Y422 PolarHBondContact O-N 2.86Å; W420-Y422 PolarHBondContact O-N 2.8Å; Y422-T425 PolarHBondContact O-N 3.03Å; Y422-T425 VanDerWaalsContact O-N 3.09Å; Y422-V426 HydrophobicContact CD2-CG2 4.22Å; Y422-V426 WeakPolarHBondContact O-CG2 3.31Å; Y422-V426 PolarHBondContact O-N 2.86Å; Y422-F448 HydrophobicContact CD2-CE2 4.46Å; Y422-F448 AromaticContact CE2-CE2 3.83Å; Y422-F448 HydrophobicContact CE2-CE2 3.83Å; Y422-F448 AromaticContact CE2-CZ 3.89Å; Y422-F448 HydrophobicContact CE2-CZ 3.89Å; Y422-A531 HydrophobicContact CE2-CB 4.18Å; Y422-D533 WeakPolarHBondContact OH-CB 3.42Å; Y422-D533 PolarHBondContact OH-OD1 2.92Å; Y422-L567 HydrophobicContact CD1-CB 4.4Å; Y422-L567 HydrophobicContact CD2-CB 4.25Å; Y422-L567 HydrophobicContact CD2-CD1 3.74Å; Y422-L567 HydrophobicContact CE2-CB 4.49Å; Y422-L567 HydrophobicContact CG-CB 4.2Å; Y422-L567 HydrophobicContact CG-CD1 3.91Å; Y422-L567 HydrophobicContact CG-CG 4.45Å
423L95.8Very high91.5Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-49.4-43-179.7-176.167.4000115.1T419 W420 T425 V426 C427 F448 I459 W462 M463 L466T419-L423 HydrophobicContact CG2-CB 4.43Å; T419-L423 HydrophobicContact CG2-CD2 4.35Å; T419-L423 WeakPolarHBondContact O-CB 3.29Å; T419-L423 PolarHBondContact O-N 2.69Å; W420-L423 HydrophobicContact CH2-CD2 4.35Å; W420-L423 HydrophobicContact CZ2-CD2 4.47Å; W420-L423 HydrophobicContact CZ3-CD2 4.4Å; L423-T425 VanDerWaalsContact C-N 3.35Å; L423-T425 PolarHBondContact O-N 2.96Å; L423-V426 PolarHBondContact O-N 2.8Å; L423-C427 PolarHBondContact O-N 3.1Å; L423-C427 PolarHBondContact O-SG 2.95Å; L423-C427 VanDerWaalsContact O-SG 3.41Å; L423-F448 HydrophobicContact CD1-CE2 4.01Å; L423-I459 HydrophobicContact CD1-CG2 4.32Å; L423-W462 HydrophobicContact CD2-CB 3.77Å; L423-W462 HydrophobicContact CD2-CE3 4.05Å; L423-M463 HydrophobicContact CD1-CE 3.63Å; L423-M463 HydrophobicContact CD1-CG 3.8Å; L423-L466 HydrophobicContact CD2-CD1 4.17Å; L423-L466 HydrophobicContact CG-CD1 3.91Å
424P94.4Very high91.7Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-59.7-44.9178.1-22.834.2000112.7I377 M381 W420 C427 Q428I377-P424 HydrophobicContact CG2-CB 3.72Å; M381-P424 HydrophobicContact CE-CB 4.16Å; M381-P424 HydrophobicContact CE-CG 3.4Å; M381-P424 HydrophobicContact CG-CG 4.37Å; M381-P424 HydrophobicContact SD-CB 3.57Å; M381-P424 VanDerWaalsContact SD-CB 3.57Å; M381-P424 HydrophobicContact SD-CG 3.48Å; M381-P424 WeakPolarHBondContact SD-CG 3.29Å; W420-P424 HydrophobicContact CE3-CG 3.94Å; W420-P424 HydrophobicContact CZ3-CG 4.19Å; P424-C427 PolarHBondContact O-N 2.94Å; P424-Q428 WeakPolarHBondContact O-CB 3.42Å; P424-Q428 PolarHBondContact O-N 3.02Å
425T92.7Very high92Very high9 Ų927.1 Ų27.16%0.05513%0.129CC..Hα-helixtrans-69-38179.1-45.90000111.4V402 Y422 L423 R429V402-T425 HydrophobicContact CG1-CG2 4.11Å; Y422-T425 PolarHBondContact O-N 3.03Å; Y422-T425 VanDerWaalsContact O-N 3.09Å; L423-T425 VanDerWaalsContact C-N 3.35Å; L423-T425 PolarHBondContact O-N 2.96Å; T425-R429 HydrophobicContact CG2-CG 4.16Å; T425-R429 VanDerWaalsContact O-CB 3.32Å; T425-R429 WeakPolarHBondContact O-CB 3.44Å; T425-R429 WeakPolarHBondContact O-CG 3.26Å; T425-R429 PolarHBondContact O-N 3Å
426V94.7Very high92.4Very high6 Ų626.2 Ų26.24%0.03612%0.118CC..Hα-helixtrans-58.8-52.4173.8168.60000110.6Y422 L423 Q428 S430 C446 F448 I501 L567Y422-V426 HydrophobicContact CD2-CG2 4.22Å; Y422-V426 WeakPolarHBondContact O-CG2 3.31Å; Y422-V426 PolarHBondContact O-N 2.86Å; L423-V426 PolarHBondContact O-N 2.8Å; V426-Q428 PolarHBondContact O-N 3.08Å; V426-S430 WeakPolarHBondContact O-CB 3.45Å; V426-S430 PolarHBondContact O-N 3.46Å; V426-C446 HydrophobicContact CG1-CB 4.4Å; V426-C446 VanDerWaalsContact CG1-SG 3.59Å; V426-F448 HydrophobicContact CG1-CD2 4.47Å; V426-I501 HydrophobicContact CG1-CD1 4.13Å; V426-L567 HydrophobicContact CG2-CD1 3.34Å
427C94.9Very high92.4Very high0 Ų027.1 Ų27.10%012%0.12CC..Hα-helixtrans-59.6-49.4179.1-67.30000111.6L423 P424 H431 L466 L467L423-C427 PolarHBondContact O-N 3.1Å; L423-C427 PolarHBondContact O-SG 2.95Å; L423-C427 VanDerWaalsContact O-SG 3.41Å; P424-C427 PolarHBondContact O-N 2.94Å; C427-H431 WeakPolarHBondContact O-CB 3.35Å; C427-H431 PolarHBondContact O-N 3.32Å; C427-L466 HydrophobicContact CB-CB 3.95Å; C427-L466 HydrophobicContact CB-CD1 4.15Å; C427-L466 VanDerWaalsContact SG-CD1 3.58Å; C427-L467 HydrophobicContact CB-CD2 3.92Å; C427-L467 HydrophobicContact CB-CG 4.09Å; C427-L467 WeakPolarHBondContact O-CD2 3.43Å
428Q93.1Very high92.1Very high14 Ų1430.9 Ų30.97%0.06514%0.143CC..Hα-helixtrans-60.8-53.9-178.1-166.9-175.6-60.100112.3D372 S374 I377 P424 V426 S430 H431 E432D372-Q428 PolarHBondContact O-NE2 3.26Å; S374-Q428 VanDerWaalsContact CB-OE1 3.27Å; S374-Q428 PolarHBondContact OG-OE1 2.82Å; I377-Q428 HydrophobicContact CG1-CB 4.09Å; I377-Q428 HydrophobicContact CG1-CG 4.24Å; P424-Q428 WeakPolarHBondContact O-CB 3.42Å; P424-Q428 PolarHBondContact O-N 3.02Å; V426-Q428 PolarHBondContact O-N 3.08Å; Q428-S430 PolarHBondContact O-N 3.27Å; Q428-H431 PolarHBondContact O-N 2.9Å; Q428-E432 HydrophobicContact CG-CG 4.45Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.45Å; Q428-E432 PolarHBondContact NE2-OE1 3.42Å; Q428-E432 WeakPolarHBondContact O-CB 3.26Å; Q428-E432 WeakPolarHBondContact O-CG 3.25Å; Q428-E432 PolarHBondContact O-N 2.85Å
429R91.4Very high91.3Very high82 Ų8236.6 Ų36.631%0.30917%0.174SC..Hα-helixtrans-65.2-41.3-178.2-71.2179.6165.4-137.7-14.2111.9S403 G405 T425 H431 E432 D433S403-R429 PolarHBondContact O-NH2 2.92Å; G405-R429 VanDerWaalsContact N-NH2 3.14Å; T425-R429 HydrophobicContact CG2-CG 4.16Å; T425-R429 VanDerWaalsContact O-CB 3.32Å; T425-R429 WeakPolarHBondContact O-CB 3.44Å; T425-R429 WeakPolarHBondContact O-CG 3.26Å; T425-R429 PolarHBondContact O-N 3Å; R429-H431 VanDerWaalsContact C-N 3.26Å; R429-H431 PolarHBondContact O-N 3.05Å; R429-E432 PolarHBondContact O-N 2.99Å; R429-D433 VanDerWaalsContact O-CB 3.31Å; R429-D433 WeakPolarHBondContact O-CB 3.36Å; R429-D433 PolarHBondContact O-N 3.21Å
430S93.1Very high90.6Very high3 Ų342.1 Ų42.12%0.02121%0.207CC..Hα-helixtrans-61.5-37.5178.6-171.10000111.9V426 Q428 L434 G500 I501V426-S430 WeakPolarHBondContact O-CB 3.45Å; V426-S430 PolarHBondContact O-N 3.46Å; Q428-S430 PolarHBondContact O-N 3.27Å; S430-L434 WeakPolarHBondContact O-CB 3.36Å; S430-L434 PolarHBondContact O-N 3.45Å; S430-L434 VanDerWaalsContact O-N 3.11Å; S430-G500 WeakPolarHBondContact OG-CA 3.47Å; S430-G500 PolarHBondContact OG-O 3.27Å; S430-G500 VanDerWaalsContact OG-O 3.05Å; S430-I501 WeakPolarHBondContact OG-CG1 3.38Å
431H92.4Very high90.1Very high15 Ų1541.4 Ų41.47%0.06921%0.208CC..Hα-helixtrans-72.6-50.5175.2179.181.8000111.7C427 Q428 R429 D433 L434 Q435 L467 L470 G471 D478C427-H431 WeakPolarHBondContact O-CB 3.35Å; C427-H431 PolarHBondContact O-N 3.32Å; Q428-H431 PolarHBondContact O-N 2.9Å; R429-H431 VanDerWaalsContact C-N 3.26Å; R429-H431 PolarHBondContact O-N 3.05Å; H431-D433 VanDerWaalsContact C-N 3.31Å; H431-D433 PolarHBondContact O-N 3.18Å; H431-L434 WeakPolarHBondContact O-CB 3.43Å; H431-L434 PolarHBondContact O-N 3.42Å; H431-L434 VanDerWaalsContact O-N 3.11Å; H431-Q435 PolarHBondContact CE1-NE2 2.86Å; H431-Q435 WeakPolarHBondContact O-CG 3.28Å; H431-Q435 PolarHBondContact O-N 2.99Å; H431-L467 HydrophobicContact CB-CD2 3.85Å; H431-L470 HydrophobicContact CB-CD1 3.92Å; H431-G471 PolarHBondContact CE1-O 3.01Å; H431-G471 PolarHBondContact NE2-O 2.79Å; H431-D478 IonicContact CE1-OD1 3.05Å; H431-D478 IonicContact CG-OD1 3.77Å; H431-D478 IonicContact ND1-OD1 2.73Å; H431-D478 PolarHBondContact ND1-OD1 3.02Å
432E90.9Very high89.8Confident65 Ų6547.1 Ų47.130%0.30423%0.229SC..Hα-helixtrans-55.4-44.2177.8-79.6-175.3-14000112.8Q428 R429 Q435 R436Q428-E432 HydrophobicContact CG-CG 4.45Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.45Å; Q428-E432 PolarHBondContact NE2-OE1 3.42Å; Q428-E432 WeakPolarHBondContact O-CB 3.26Å; Q428-E432 WeakPolarHBondContact O-CG 3.25Å; Q428-E432 PolarHBondContact O-N 2.85Å; R429-E432 PolarHBondContact O-N 2.99Å; E432-Q435 PolarHBondContact O-N 3.01Å; E432-R436 WeakPolarHBondContact O-CG 3.46Å; E432-R436 PolarHBondContact O-N 2.98Å; E432-R436 IonicContact OE2-CZ 3.45Å; E432-R436 IonicContact OE2-NH1 3.73Å; E432-R436 PolarHBondContact OE2-NH1 3.4Å; E432-R436 IonicContact OE2-NH2 3.76Å; E432-R436 PolarHBondContact OE2-NH2 3.17Å
433D90.5Very high89.6Confident46 Ų4647.1 Ų47.125%0.24623%0.229CC..Hα-helixtrans-72.3-34.7177.7-77.6-16.1000111.5R429 H431 Q435 R436 R437 T445R429-D433 VanDerWaalsContact O-CB 3.31Å; R429-D433 WeakPolarHBondContact O-CB 3.36Å; R429-D433 PolarHBondContact O-N 3.21Å; H431-D433 VanDerWaalsContact C-N 3.31Å; H431-D433 PolarHBondContact O-N 3.18Å; D433-Q435 VanDerWaalsContact C-N 3.34Å; D433-Q435 PolarHBondContact O-N 2.93Å; D433-R436 CarbonylContact O-C 3.53Å; D433-R436 WeakPolarHBondContact O-CA 3.48Å; D433-R436 WeakPolarHBondContact O-CB 3.41Å; D433-R436 PolarHBondContact O-N 3.34Å; D433-R436 IonicContact OD1-CZ 2.72Å; D433-R436 IonicContact OD1-NH1 3.1Å; D433-R436 PolarHBondContact OD1-NH1 3.03Å; D433-R437 WeakPolarHBondContact O-CG 3.21Å; D433-R437 PolarHBondContact O-N 2.92Å; D433-T445 HydrophobicContact CB-CG2 3.68Å
434L91Very high89.6Confident0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-58.4-44.1172.3-178.162.9000111.5S430 H431 R436 R437 F476 P498S430-L434 WeakPolarHBondContact O-CB 3.36Å; S430-L434 PolarHBondContact O-N 3.45Å; S430-L434 VanDerWaalsContact O-N 3.11Å; H431-L434 WeakPolarHBondContact O-CB 3.43Å; H431-L434 PolarHBondContact O-N 3.42Å; H431-L434 VanDerWaalsContact O-N 3.11Å; L434-R436 PolarHBondContact O-N 3.32Å; L434-R437 PolarHBondContact O-N 3.48Å; L434-R437 VanDerWaalsContact O-N 3.08Å; L434-F476 HydrophobicContact CD1-CB 3.99Å; L434-F476 HydrophobicContact CD1-CD2 4.04Å; L434-F476 HydrophobicContact CD1-CG 4.3Å; L434-F476 HydrophobicContact CD2-CB 4.07Å; L434-F476 HydrophobicContact CG-CB 4.26Å; L434-F476 HydrophobicContact CG-CD2 4.42Å; L434-P498 HydrophobicContact CD1-CB 3.77Å
435Q88.1Confident89.6Confident68 Ų6847.2 Ų47.232%0.31823%0.23SC..Hα-helixtrans-62.1-21175-61.1-45.8-46.400113.4H431 E432 D433 S474H431-Q435 PolarHBondContact CE1-NE2 2.86Å; H431-Q435 WeakPolarHBondContact O-CG 3.28Å; H431-Q435 PolarHBondContact O-N 2.99Å; E432-Q435 PolarHBondContact O-N 3.01Å; D433-Q435 VanDerWaalsContact C-N 3.34Å; D433-Q435 PolarHBondContact O-N 2.93Å; Q435-S474 PolarHBondContact NE2-OG 3.46Å
436R88.3Confident89.8Confident160 Ų16046.9 Ų46.960%0.60423%0.228SC*.THydrogen-bonded Turntrans-94.8-5.2177.8-61.7166.8-168131.95.9113.1E432 D433 L434E432-R436 WeakPolarHBondContact O-CG 3.46Å; E432-R436 PolarHBondContact O-N 2.98Å; E432-R436 IonicContact OE2-CZ 3.45Å; E432-R436 IonicContact OE2-NH1 3.73Å; E432-R436 PolarHBondContact OE2-NH1 3.4Å; E432-R436 IonicContact OE2-NH2 3.76Å; E432-R436 PolarHBondContact OE2-NH2 3.17Å; D433-R436 CarbonylContact O-C 3.53Å; D433-R436 WeakPolarHBondContact O-CA 3.48Å; D433-R436 WeakPolarHBondContact O-CB 3.41Å; D433-R436 PolarHBondContact O-N 3.34Å; D433-R436 IonicContact OD1-CZ 2.72Å; D433-R436 IonicContact OD1-NH1 3.1Å; D433-R436 PolarHBondContact OD1-NH1 3.03Å; L434-R436 PolarHBondContact O-N 3.32Å
437R86Confident90Very high38 Ų3846.6 Ų46.614%0.14323%0.226CC..SBendtrans-80.1140.3-177.6-63.1-158.168.1-169.4-2.8111.3D433 L434 R442 G443 P498 A526D433-R437 WeakPolarHBondContact O-CG 3.21Å; D433-R437 PolarHBondContact O-N 2.92Å; L434-R437 PolarHBondContact O-N 3.48Å; L434-R437 VanDerWaalsContact O-N 3.08Å; R437-R442 PolarHBondContact NH1-O 3.15Å; R437-R442 VanDerWaalsContact NH1-O 3.08Å; R437-R442 PolarHBondContact NH2-O 3.27Å; R437-G443 PolarHBondContact NH1-O 2.74Å; R437-P498 HydrophobicContact CB-CB 4.25Å; R437-A526 VanDerWaalsContact CZ-CB 3.43Å
438P82.2Confident90.1Very high88 Ų8846.6 Ų46.657%0.57123%0.226SC*.  trans-70.9150169.931.3-35000110.6V440 G441P438-V440 PolarHBondContact O-N 2.75Å; P438-G441 WeakPolarHBondContact O-CA 3.44Å; P438-G441 PolarHBondContact O-N 3.13Å
439D77.9Confident90.4Very high130 Ų13046 Ų4670%0.69522%0.223SC*.THydrogen-bonded Turntrans-57.6-25-180-58.8-8.8000114.2G441 F476D439-G441 VanDerWaalsContact C-N 3.26Å; D439-F476 HydrophobicContact CB-CZ 4.29Å; D439-F476 WeakPolarHBondContact OD1-CZ 3.23Å
440V80.6Confident90.5Very high134 Ų13442 Ų4281%0.81221%0.209SC*.THydrogen-bonded Turntrans-79.9-8.4177.5-166.10000112.1P438P438-V440 PolarHBondContact O-N 2.75Å
441G82.9Confident90.3Very high11 Ų1142.3 Ų42.311%0.11321%0.21CC..  trans-63.8156.9175.500000112.6P438 D439 K497 P498P438-G441 WeakPolarHBondContact O-CA 3.44Å; P438-G441 PolarHBondContact O-N 3.13Å; D439-G441 VanDerWaalsContact C-N 3.26Å; G441-K497 CarbonylContact O-C 3.54Å; G441-P498 WeakPolarHBondContact O-CD 3.35Å; G441-P498 WeakPolarHBondContact O-CG 3.4Å
442R89.6Confident90Very high120 Ų12044.9 Ų44.945%0.45322%0.224SC..  trans-126.9143.5179.8-60.7-168.4-77.8-121.5-1111.9R437R437-R442 PolarHBondContact NH1-O 3.15Å; R437-R442 VanDerWaalsContact NH1-O 3.08Å; R437-R442 PolarHBondContact NH2-O 3.27Å
443G92.1Very high89.8Confident0 Ų045.7 Ų45.70%023%0.228CC..EExtended strand (participates in β ladder)trans71.7-167.4167.700000117.1R437 L495 K497 V499R437-G443 PolarHBondContact NH1-O 2.74Å; G443-L495 WeakPolarHBondContact CA-O 3.32Å; G443-L495 PolarHBondContact N-O 2.69Å; G443-K497 PolarHBondContact N-O 3.41Å; G443-V499 PolarHBondContact O-N 3.18Å
444P95.1Very high89.7Confident0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-80146.7-168.932.9-31.1000111.9C446 I447 V499 L502 V527P444-C446 WeakPolarHBondContact CB-O 3.48Å; P444-I447 HydrophobicContact CG-CD1 4.37Å; P444-I447 HydrophobicContact CG-CG1 3.82Å; P444-V499 CarbonylContact C-O 3.56Å; P444-V499 VanDerWaalsContact CA-O 3.29Å; P444-V499 WeakPolarHBondContact CA-O 3.24Å; P444-L502 HydrophobicContact CB-CB 3.77Å; P444-L502 HydrophobicContact CG-CB 3.94Å; P444-L502 HydrophobicContact CG-CD2 4.4Å; P444-V527 HydrophobicContact CG-CG2 4.37Å; P444-V527 WeakPolarHBondContact O-CG2 3.43Å
445T94.8Very high89.6Confident2 Ų248 Ų481%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-75.2-34.5163.7-59.70000111D433 V499 G500 V527 K528D433-T445 HydrophobicContact CB-CG2 3.68Å; T445-V499 PolarHBondContact N-O 3.07Å; T445-G500 PolarHBondContact N-O 2.85Å; T445-V527 CarbonylContact O-C 3.55Å; T445-V527 WeakPolarHBondContact O-CA 3.4Å; T445-K528 HydrophobicContact CG2-CB 4.41Å; T445-K528 HydrophobicContact CG2-CG 4.21Å; T445-K528 PolarHBondContact O-N 2.91Å
446C96.6Very high89.8Confident2 Ų244.7 Ų44.71%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-131.4139177.3-177.80000112.3V426 P444 G500 I501 L502 C529V426-C446 HydrophobicContact CG1-CB 4.4Å; V426-C446 VanDerWaalsContact CG1-SG 3.59Å; P444-C446 WeakPolarHBondContact CB-O 3.48Å; C446-G500 PolarHBondContact N-O 3.46Å; C446-I501 HydrophobicContact CB-CG1 4.31Å; C446-I501 CarbonylContact O-C 3.21Å; C446-I501 WeakPolarHBondContact O-CA 3.44Å; C446-L502 PolarHBondContact O-N 3.38Å; C446-C529 CarbonylContact C-O 3.3Å; C446-C529 VanDerWaalsContact CA-O 3.29Å; C446-C529 WeakPolarHBondContact CA-O 3.36Å; C446-C529 HydrophobicContact CB-CB 4.22Å; C446-C529 PolarHBondContact SG-O 3.37Å
447I97.8Very high90.1Very high1 Ų141.3 Ų41.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-107.2125.2169.9-57.5175.7000108.6P444 V449 L509 F522 V527 C529 I530 A531 F557P444-I447 HydrophobicContact CG-CD1 4.37Å; P444-I447 HydrophobicContact CG-CG1 3.82Å; I447-V449 HydrophobicContact CG2-CG2 4.08Å; I447-L509 HydrophobicContact CD1-CD1 4.41Å; I447-L509 HydrophobicContact CG2-CD1 4.05Å; I447-L509 HydrophobicContact CG2-CD2 3.85Å; I447-F522 HydrophobicContact CD1-CE2 4.18Å; I447-F522 HydrophobicContact CD1-CZ 4.11Å; I447-V527 HydrophobicContact CD1-CG1 4.21Å; I447-V527 HydrophobicContact CD1-CG2 4.08Å; I447-V527 HydrophobicContact CG1-CG1 4.12Å; I447-V527 HydrophobicContact CG1-CG2 4.34Å; I447-C529 PolarHBondContact N-O 2.94Å; I447-I530 HydrophobicContact CB-CG1 4.35Å; I447-I530 CarbonylContact O-C 3.55Å; I447-I530 VanDerWaalsContact O-CA 3.3Å; I447-I530 WeakPolarHBondContact O-CA 3.45Å; I447-A531 PolarHBondContact O-N 2.89Å; I447-F557 HydrophobicContact CD1-CE1 4.32Å; I447-F557 HydrophobicContact CD1-CZ 3.85Å
448F98.3Very high90.4Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-117.1119.9177.9-156.3-65.6000109.4T419 Y422 L423 V426 I459 M463 I501 L502 L503 T504 A531 D533T419-F448 HydrophobicContact CG2-CZ 4.03Å; Y422-F448 HydrophobicContact CD2-CE2 4.46Å; Y422-F448 AromaticContact CE2-CE2 3.83Å; Y422-F448 HydrophobicContact CE2-CE2 3.83Å; Y422-F448 AromaticContact CE2-CZ 3.89Å; Y422-F448 HydrophobicContact CE2-CZ 3.89Å; L423-F448 HydrophobicContact CD1-CE2 4.01Å; V426-F448 HydrophobicContact CG1-CD2 4.47Å; F448-I459 HydrophobicContact CD1-CG2 4.44Å; F448-I459 HydrophobicContact CE1-CD1 3.78Å; F448-I459 HydrophobicContact CE1-CG2 4.06Å; F448-I459 HydrophobicContact CZ-CD1 4.27Å; F448-I459 HydrophobicContact CZ-CG2 4.1Å; F448-M463 HydrophobicContact CB-CE 4Å; F448-M463 HydrophobicContact CD1-CE 4.37Å; F448-M463 HydrophobicContact CD2-CE 3.27Å; F448-M463 HydrophobicContact CE2-CE 3.77Å; F448-M463 HydrophobicContact CG-CE 3.62Å; F448-I501 HydrophobicContact CB-CG2 4.02Å; F448-L502 PolarHBondContact N-O 3.04Å; F448-L503 HydrophobicContact CB-CB 4.46Å; F448-L503 HydrophobicContact CB-CD1 3.9Å; F448-L503 HydrophobicContact CD1-CD1 3.58Å; F448-L503 HydrophobicContact CE1-CD1 4.47Å; F448-L503 HydrophobicContact CG-CD1 4.01Å; F448-L503 WeakPolarHBondContact O-CA 3.35Å; F448-T504 PolarHBondContact O-N 3.37Å; F448-A531 HydrophobicContact CD1-CB 4.42Å; F448-A531 HydrophobicContact CD2-CB 3.56Å; F448-A531 HydrophobicContact CE2-CB 3.72Å; F448-A531 HydrophobicContact CG-CB 3.95Å; F448-A531 HydrophobicContact CZ-CB 4.19Å; F448-D533 HydrophobicContact CE1-CB 3.68Å; F448-D533 HydrophobicContact CZ-CB 3.98Å
449V98Very high91.1Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-113.5133.4-178.7-164.20000108.9I447 T504 V506 L509 A531 L532 D533 M538I447-V449 HydrophobicContact CG2-CG2 4.08Å; V449-T504 WeakPolarHBondContact CA-O 3.48Å; V449-V506 HydrophobicContact CG1-CG2 3.83Å; V449-L509 HydrophobicContact CG2-CD2 3.55Å; V449-A531 PolarHBondContact N-O 3.3Å; V449-L532 HydrophobicContact CB-CD2 3.89Å; V449-L532 HydrophobicContact CG2-CD2 3.84Å; V449-D533 PolarHBondContact O-N 3.2Å; V449-M538 VanDerWaalsContact C-CE 3.42Å; V449-M538 HydrophobicContact CB-CE 3.86Å; V449-M538 HydrophobicContact CG1-CE 3.77Å; V449-M538 HydrophobicContact CG1-SD 4.3Å; V449-M538 WeakPolarHBondContact O-CE 3.13Å
450C94.8Very high91.9Very high0 Ų036.6 Ų36.60%019%0.194CC..  trans-133.8166.6173.276.10000111N452 G456 I459 W483 T504C450-N452 PolarHBondContact O-N 3.27Å; C450-N452 PolarHBondContact SG-O 2.96Å; C450-G456 VanDerWaalsContact SG-CA 3.52Å; C450-G456 PolarHBondContact SG-N 2.88Å; C450-I459 HydrophobicContact CB-CD1 4.26Å; C450-W483 VanDerWaalsContact SG-CH2 3.52Å; C450-T504 PolarHBondContact N-O 3.1Å
451P88.2Confident92.5Very high9 Ų939 Ų396%0.05819%0.188CC..SBendtrans-72.4-25.1-170-17.331.9000114.8Q455 D533 N534 D537 M538P451-Q455 VanDerWaalsContact CD-OE1 3.23Å; P451-D533 WeakPolarHBondContact CD-O 3.21Å; P451-N534 HydrophobicContact CG-CB 3.9Å; P451-D537 HydrophobicContact CB-CB 3.82Å; P451-D537 HydrophobicContact CG-CB 3.58Å; P451-M538 HydrophobicContact CB-CG 4.25Å; P451-M538 HydrophobicContact CG-CG 4.07Å
452N85.8Confident93.1Very high68 Ų6841.4 Ų41.436%0.36419%0.194SC..SBendtrans-161.7161.5-177.959.869.1000112.5C450 G454 Q455 G456C450-N452 PolarHBondContact O-N 3.27Å; C450-N452 PolarHBondContact SG-O 2.96Å; N452-G454 PolarHBondContact O-N 3.2Å; N452-G454 WeakPolarHBondContact OD1-CA 3.36Å; N452-G454 PolarHBondContact OD1-N 3.25Å; N452-G454 VanDerWaalsContact OD1-N 3.1Å; N452-Q455 PolarHBondContact O-N 3.19Å; N452-Q455 PolarHBondContact OD1-N 2.84Å; N452-G456 PolarHBondContact O-N 3.01Å
453Q88.3Confident93.4Very high83 Ų8335.7 Ų35.739%0.38817%0.172SC..Hα-helixtrans-57-31.5179-174.7-172.368.800113.6G456 K457 W483Q453-G456 PolarHBondContact O-N 2.62Å; Q453-K457 VanDerWaalsContact CD-CE 3.49Å; Q453-K457 VanDerWaalsContact CD-NZ 3.29Å; Q453-K457 HydrophobicContact CG-CD 3.96Å; Q453-K457 HydrophobicContact CG-CG 4.17Å; Q453-K457 WeakPolarHBondContact O-CB 3.46Å; Q453-K457 WeakPolarHBondContact O-CG 3.22Å; Q453-K457 PolarHBondContact O-N 3.3Å; Q453-W483 HydrophobicContact CB-CD2 4.05Å; Q453-W483 HydrophobicContact CB-CE3 4Å; Q453-W483 HydrophobicContact CB-CG 4.27Å; Q453-W483 HydrophobicContact CG-CB 4.01Å; Q453-W483 HydrophobicContact CG-CD2 3.79Å; Q453-W483 HydrophobicContact CG-CE3 4.28Å; Q453-W483 HydrophobicContact CG-CG 3.65Å
454G88.3Confident93.4Very high52 Ų5238.6 Ų38.654%0.53619%0.193SC..Hα-helixtrans-64.1-49179.900000112.5N452 G456 Q458N452-G454 PolarHBondContact O-N 3.2Å; N452-G454 WeakPolarHBondContact OD1-CA 3.36Å; N452-G454 PolarHBondContact OD1-N 3.25Å; N452-G454 VanDerWaalsContact OD1-N 3.1Å; G454-G456 VanDerWaalsContact C-N 3.34Å; G454-Q458 PolarHBondContact O-N 2.8Å
455Q87.8Confident93.2Very high41 Ų4141.2 Ų41.219%0.19221%0.209CC..Hα-helixtrans-64.9-40.4171.4-66.2-173.715.400111P451 N452 K457 Q458 I459 N534P451-Q455 VanDerWaalsContact CD-OE1 3.23Å; N452-Q455 PolarHBondContact O-N 3.19Å; N452-Q455 PolarHBondContact OD1-N 2.84Å; Q455-K457 PolarHBondContact O-N 2.82Å; Q455-Q458 WeakPolarHBondContact O-CB 3.3Å; Q455-Q458 PolarHBondContact O-N 3.07Å; Q455-Q458 VanDerWaalsContact O-N 3.14Å; Q455-I459 WeakPolarHBondContact O-CG1 3.4Å; Q455-I459 PolarHBondContact O-N 3.18Å; Q455-N534 PolarHBondContact OE1-ND2 2.86Å; Q455-N534 VanDerWaalsContact OE1-ND2 3.08Å
456G93.3Very high93.1Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-53.7-53.617600000113.7C450 N452 Q453 G454 Q458 I459 E460 W483C450-G456 VanDerWaalsContact SG-CA 3.52Å; C450-G456 PolarHBondContact SG-N 2.88Å; N452-G456 PolarHBondContact O-N 3.01Å; Q453-G456 PolarHBondContact O-N 2.62Å; G454-G456 VanDerWaalsContact C-N 3.34Å; G456-Q458 PolarHBondContact O-N 3.08Å; G456-I459 PolarHBondContact O-N 2.75Å; G456-E460 WeakPolarHBondContact O-CB 3.33Å; G456-E460 PolarHBondContact O-N 3.45Å; G456-W483 VanDerWaalsContact CA-CZ2 3.46Å
457K93.4Very high92.8Very high88 Ų8841.3 Ų41.338%0.38321%0.209SC..Hα-helixtrans-59.7-29.5176.9-76.9171.8171.4167.30113.2Q453 Q455 R461Q453-K457 VanDerWaalsContact CD-CE 3.49Å; Q453-K457 VanDerWaalsContact CD-NZ 3.29Å; Q453-K457 HydrophobicContact CG-CD 3.96Å; Q453-K457 HydrophobicContact CG-CG 4.17Å; Q453-K457 WeakPolarHBondContact O-CB 3.46Å; Q453-K457 WeakPolarHBondContact O-CG 3.22Å; Q453-K457 PolarHBondContact O-N 3.3Å; Q455-K457 PolarHBondContact O-N 2.82Å; K457-R461 VanDerWaalsContact O-CG 3.31Å; K457-R461 WeakPolarHBondContact O-CG 3.17Å; K457-R461 PolarHBondContact O-N 2.86Å
458Q93.2Very high92.3Very high101 Ų10146 Ų4647%0.47224%0.241SC..Hα-helixtrans-72.2-42.9173.7-174.5175.830.400111.6G454 Q455 G456 R461 W462G454-Q458 PolarHBondContact O-N 2.8Å; Q455-Q458 WeakPolarHBondContact O-CB 3.3Å; Q455-Q458 PolarHBondContact O-N 3.07Å; Q455-Q458 VanDerWaalsContact O-N 3.14Å; G456-Q458 PolarHBondContact O-N 3.08Å; Q458-R461 PolarHBondContact O-N 3.19Å; Q458-W462 HydrophobicContact CG-CD2 4.45Å; Q458-W462 HydrophobicContact CG-CH2 3.8Å; Q458-W462 HydrophobicContact CG-CZ2 3.61Å; Q458-W462 HydrophobicContact CG-CZ3 4.31Å; Q458-W462 PolarHBondContact O-N 3.43Å
459I95.5Very high91.5Very high4 Ų449.2 Ų49.22%0.02126%0.258CS..Hα-helixtrans-67.9-41178.1-65.1170.9000110.8T419 L423 F448 C450 Q455 G456 R461 W462 M463 L503T419-I459 HydrophobicContact CG2-CD1 4.2Å; T419-I459 HydrophobicContact CG2-CG1 4.24Å; L423-I459 HydrophobicContact CD1-CG2 4.32Å; F448-I459 HydrophobicContact CD1-CG2 4.44Å; F448-I459 HydrophobicContact CE1-CD1 3.78Å; F448-I459 HydrophobicContact CE1-CG2 4.06Å; F448-I459 HydrophobicContact CZ-CD1 4.27Å; F448-I459 HydrophobicContact CZ-CG2 4.1Å; C450-I459 HydrophobicContact CB-CD1 4.26Å; Q455-I459 WeakPolarHBondContact O-CG1 3.4Å; Q455-I459 PolarHBondContact O-N 3.18Å; G456-I459 PolarHBondContact O-N 2.75Å; I459-R461 PolarHBondContact O-N 2.99Å; I459-W462 HydrophobicContact CG1-CE3 4.09Å; I459-W462 HydrophobicContact CG1-CZ3 4.03Å; I459-W462 WeakPolarHBondContact O-CB 3.33Å; I459-W462 PolarHBondContact O-N 2.89Å; I459-W462 VanDerWaalsContact O-N 3.09Å; I459-M463 HydrophobicContact CG2-CE 3.69Å; I459-M463 HydrophobicContact CG2-CG 4.3Å; I459-M463 HydrophobicContact CG2-SD 4.09Å; I459-M463 WeakPolarHBondContact O-CG 3.48Å; I459-M463 PolarHBondContact O-N 2.92Å; I459-L503 HydrophobicContact CG2-CD1 4.45Å; I459-L503 HydrophobicContact CG2-CD2 4.41Å
460E95.5Very high90.8Very high53 Ų5351.1 Ų51.125%0.24827%0.267CS..Hα-helixtrans-52.6-49.4172.9-177.8175.2-155.400111.3G456 W462 M463 S464 T481 L503G456-E460 WeakPolarHBondContact O-CB 3.33Å; G456-E460 PolarHBondContact O-N 3.45Å; E460-W462 VanDerWaalsContact C-N 3.32Å; E460-W462 PolarHBondContact O-N 3.17Å; E460-M463 WeakPolarHBondContact O-CB 3.35Å; E460-M463 PolarHBondContact O-N 2.93Å; E460-S464 PolarHBondContact O-N 3.39Å; E460-S464 PolarHBondContact O-OG 3.34Å; E460-S464 VanDerWaalsContact O-OG 3.1Å; E460-T481 HydrophobicContact CB-CG2 4.47Å; E460-T481 VanDerWaalsContact CD-CG2 3.43Å; E460-T481 HydrophobicContact CG-CG2 3.96Å; E460-T481 WeakPolarHBondContact OE1-CG2 3.37Å; E460-T481 PolarHBondContact OE1-OG1 2.94Å; E460-L503 HydrophobicContact CB-CD2 3.86Å
461R93.9Very high89.6Confident183 Ų18352.7 Ų52.769%0.69128%0.284SS*.Hα-helixtrans-58.6-41.1175.7-70.4168.8-174.8-177.81.1112.7K457 Q458 I459 T465K457-R461 VanDerWaalsContact O-CG 3.31Å; K457-R461 WeakPolarHBondContact O-CG 3.17Å; K457-R461 PolarHBondContact O-N 2.86Å; Q458-R461 PolarHBondContact O-N 3.19Å; I459-R461 PolarHBondContact O-N 2.99Å; R461-T465 PolarHBondContact O-N 3.06Å; R461-T465 PolarHBondContact O-OG1 2.64Å; R461-T465 VanDerWaalsContact O-OG1 3.1Å
462W94.8Very high88.4Confident62 Ų6256.1 Ų56.124%0.23531%0.308CS..Hα-helixtrans-67.9-41.3176.1-62.5-30.5000112.1T419 W420 L423 Q458 I459 E460 T465 L466T419-W462 HydrophobicContact CG2-CZ3 4.29Å; W420-W462 HydrophobicContact CH2-CB 4.15Å; W420-W462 HydrophobicContact CH2-CG 4.31Å; W420-W462 HydrophobicContact CZ2-CB 3.94Å; W420-W462 AromaticContact CZ2-CD1 3.84Å; W420-W462 AromaticContact CZ2-CD2 3.86Å; W420-W462 HydrophobicContact CZ2-CD2 3.86Å; W420-W462 HydrophobicContact CZ2-CE3 4.44Å; W420-W462 AromaticContact CZ2-CG 3.62Å; W420-W462 HydrophobicContact CZ2-CG 3.62Å; L423-W462 HydrophobicContact CD2-CB 3.77Å; L423-W462 HydrophobicContact CD2-CE3 4.05Å; Q458-W462 HydrophobicContact CG-CD2 4.45Å; Q458-W462 HydrophobicContact CG-CH2 3.8Å; Q458-W462 HydrophobicContact CG-CZ2 3.61Å; Q458-W462 HydrophobicContact CG-CZ3 4.31Å; Q458-W462 PolarHBondContact O-N 3.43Å; I459-W462 HydrophobicContact CG1-CE3 4.09Å; I459-W462 HydrophobicContact CG1-CZ3 4.03Å; I459-W462 WeakPolarHBondContact O-CB 3.33Å; I459-W462 PolarHBondContact O-N 2.89Å; I459-W462 VanDerWaalsContact O-N 3.09Å; E460-W462 VanDerWaalsContact C-N 3.32Å; E460-W462 PolarHBondContact O-N 3.17Å; W462-T465 PolarHBondContact O-N 3.31Å; W462-L466 VanDerWaalsContact O-CG 3.27Å; W462-L466 WeakPolarHBondContact O-CG 3.28Å; W462-L466 PolarHBondContact O-N 2.84Å; W462-L466 VanDerWaalsContact O-N 3.08Å
463M95.3Very high87Confident0 Ų057.3 Ų57.30%033%0.327CS..Hα-helixtrans-59.2-50.8174.8-71.8176.4168.800110.8L423 F448 I459 E460 T465 L466 L467 V479 I501 L503L423-M463 HydrophobicContact CD1-CE 3.63Å; L423-M463 HydrophobicContact CD1-CG 3.8Å; F448-M463 HydrophobicContact CB-CE 4Å; F448-M463 HydrophobicContact CD1-CE 4.37Å; F448-M463 HydrophobicContact CD2-CE 3.27Å; F448-M463 HydrophobicContact CE2-CE 3.77Å; F448-M463 HydrophobicContact CG-CE 3.62Å; I459-M463 HydrophobicContact CG2-CE 3.69Å; I459-M463 HydrophobicContact CG2-CG 4.3Å; I459-M463 HydrophobicContact CG2-SD 4.09Å; I459-M463 WeakPolarHBondContact O-CG 3.48Å; I459-M463 PolarHBondContact O-N 2.92Å; E460-M463 WeakPolarHBondContact O-CB 3.35Å; E460-M463 PolarHBondContact O-N 2.93Å; M463-T465 VanDerWaalsContact C-N 3.32Å; M463-T465 PolarHBondContact O-N 3Å; M463-L466 WeakPolarHBondContact O-CB 3.2Å; M463-L466 PolarHBondContact O-N 3.41Å; M463-L466 VanDerWaalsContact O-N 3.08Å; M463-L467 HydrophobicContact CB-CD1 4.12Å; M463-L467 WeakPolarHBondContact O-CB 3.47Å; M463-L467 WeakPolarHBondContact O-CD1 3.37Å; M463-L467 VanDerWaalsContact O-CG 3.27Å; M463-L467 WeakPolarHBondContact O-CG 3.36Å; M463-L467 PolarHBondContact O-N 3.46Å; M463-V479 HydrophobicContact CB-CG2 4.2Å; M463-V479 HydrophobicContact SD-CG1 4.45Å; M463-I501 HydrophobicContact CE-CD1 4.07Å; M463-I501 HydrophobicContact CE-CG2 3.93Å; M463-I501 HydrophobicContact CG-CD1 4.39Å; M463-I501 HydrophobicContact SD-CD1 4Å; M463-I501 HydrophobicContact SD-CG2 4.12Å; M463-L503 HydrophobicContact SD-CD2 4.11Å
464S92.1Very high85.6Confident62 Ų6254.3 Ų54.343%0.43432%0.315SS..Hα-helixtrans-58-41.2179.6-59.50000112.5E460 L467 C468E460-S464 PolarHBondContact O-N 3.39Å; E460-S464 PolarHBondContact O-OG 3.34Å; E460-S464 VanDerWaalsContact O-OG 3.1Å; S464-L467 PolarHBondContact O-N 2.75Å; S464-C468 WeakPolarHBondContact O-CB 3.05Å; S464-C468 PolarHBondContact O-N 2.85Å
465T91.3Very high84.8Confident55 Ų5556 Ų5634%0.33733%0.334SS..Hα-helixtrans-67.6-36.7175.6-54.60000112.9M384 R461 W462 M463M384-T465 HydrophobicContact CE-CG2 3.82Å; M384-T465 HydrophobicContact CG-CG2 3.86Å; M384-T465 HydrophobicContact SD-CG2 3.68Å; R461-T465 PolarHBondContact O-N 3.06Å; R461-T465 PolarHBondContact O-OG1 2.64Å; R461-T465 VanDerWaalsContact O-OG1 3.1Å; W462-T465 PolarHBondContact O-N 3.31Å; M463-T465 VanDerWaalsContact C-N 3.32Å; M463-T465 PolarHBondContact O-N 3Å
466L93.1Very high84.6Confident0 Ų056 Ų560%033%0.333CS..Hα-helixtrans-68-41.2176.1-70.2168.1000112.1I377 A380 M381 M384 W420 L423 C427 W462 M463I377-L466 HydrophobicContact CD1-CB 3.95Å; I377-L466 HydrophobicContact CD1-CD2 4.06Å; I377-L466 WeakPolarHBondContact CD1-O 3.32Å; I377-L466 HydrophobicContact CG2-CD2 4.24Å; A380-L466 HydrophobicContact CB-CD2 3.99Å; M381-L466 HydrophobicContact CG-CD2 3.94Å; M384-L466 HydrophobicContact CE-CD2 3.67Å; M384-L466 HydrophobicContact CE-CG 3.88Å; W420-L466 HydrophobicContact CH2-CD1 4.22Å; W420-L466 HydrophobicContact CZ3-CD1 4.02Å; W420-L466 HydrophobicContact CZ3-CD2 4.23Å; L423-L466 HydrophobicContact CD2-CD1 4.17Å; L423-L466 HydrophobicContact CG-CD1 3.91Å; C427-L466 HydrophobicContact CB-CB 3.95Å; C427-L466 HydrophobicContact CB-CD1 4.15Å; C427-L466 VanDerWaalsContact SG-CD1 3.58Å; W462-L466 VanDerWaalsContact O-CG 3.27Å; W462-L466 WeakPolarHBondContact O-CG 3.28Å; W462-L466 PolarHBondContact O-N 2.84Å; W462-L466 VanDerWaalsContact O-N 3.08Å; M463-L466 WeakPolarHBondContact O-CB 3.2Å; M463-L466 PolarHBondContact O-N 3.41Å; M463-L466 VanDerWaalsContact O-N 3.08Å
467L91.4Very high84.5Confident6 Ų659.7 Ų59.73%0.03135%0.35CS..Hα-helixtrans-81.5-38.6-173.7-66.6160.4000112.1C427 H431 M463 S464 L469 L470 G471 D478 V479 I501C427-L467 HydrophobicContact CB-CD2 3.92Å; C427-L467 HydrophobicContact CB-CG 4.09Å; C427-L467 WeakPolarHBondContact O-CD2 3.43Å; H431-L467 HydrophobicContact CB-CD2 3.85Å; M463-L467 HydrophobicContact CB-CD1 4.12Å; M463-L467 WeakPolarHBondContact O-CB 3.47Å; M463-L467 WeakPolarHBondContact O-CD1 3.37Å; M463-L467 VanDerWaalsContact O-CG 3.27Å; M463-L467 WeakPolarHBondContact O-CG 3.36Å; M463-L467 PolarHBondContact O-N 3.46Å; S464-L467 PolarHBondContact O-N 2.75Å; L467-L469 PolarHBondContact O-N 3.19Å; L467-L469 VanDerWaalsContact O-N 3.15Å; L467-L470 HydrophobicContact CD2-CD1 4.37Å; L467-L470 WeakPolarHBondContact O-CB 3.33Å; L467-L470 PolarHBondContact O-N 2.95Å; L467-G471 PolarHBondContact O-N 3.32Å; L467-D478 HydrophobicContact CD1-CB 4.24Å; L467-V479 HydrophobicContact CD1-CG2 3.38Å; L467-I501 HydrophobicContact CD1-CD1 4.26Å
468C86.8Confident84.3Confident99 Ų9956.6 Ų56.667%0.66934%0.337SS*.Hα-helixtrans-53.3-38.3178.6178.30000112.9S464 G471S464-C468 WeakPolarHBondContact O-CB 3.05Å; S464-C468 PolarHBondContact O-N 2.85Å; C468-G471 PolarHBondContact O-N 3Å
469L80.7Confident84.4Confident67 Ų6753.1 Ų53.135%0.35132%0.323SS..THydrogen-bonded Turntrans-77.1-16.9179.1-70.4178.9000114.6I376 A380 L467 G471I376-L469 VanDerWaalsContact CG2-C 3.43Å; I376-L469 HydrophobicContact CG2-CB 3.79Å; I376-L469 WeakPolarHBondContact CG2-O 3.35Å; A380-L469 HydrophobicContact CB-CD1 3.55Å; L467-L469 PolarHBondContact O-N 3.19Å; L467-L469 VanDerWaalsContact O-N 3.15Å; L469-G471 VanDerWaalsContact C-N 3.31Å
470L82.7Confident84.4Confident40 Ų4053 Ų5321%0.20932%0.322CS..THydrogen-bonded Turntrans-75.9-23.8170.5-68.2170.9000111.8I376 I377 H431 L467I376-L470 HydrophobicContact CB-CD2 4.08Å; I376-L470 HydrophobicContact CD1-CD2 4.29Å; I376-L470 HydrophobicContact CG2-CD2 3.85Å; I376-L470 HydrophobicContact CG2-CG 4.29Å; I377-L470 HydrophobicContact CD1-CD1 4.02Å; I377-L470 HydrophobicContact CD1-CG 4.29Å; I377-L470 HydrophobicContact CG1-CD1 4.39Å; I377-L470 HydrophobicContact CG1-CD2 4.26Å; I377-L470 HydrophobicContact CG1-CG 4.48Å; H431-L470 HydrophobicContact CB-CD1 3.92Å; L467-L470 HydrophobicContact CD2-CD1 4.37Å; L467-L470 WeakPolarHBondContact O-CB 3.33Å; L467-L470 PolarHBondContact O-N 2.95Å
471G70.9Confident84.4Confident33 Ų3351.7 Ų51.734%0.3432%0.318SS..  trans76.4155.1-174.400000112.4H431 L467 C468 L469H431-G471 PolarHBondContact CE1-O 3.01Å; H431-G471 PolarHBondContact NE2-O 2.79Å; L467-G471 PolarHBondContact O-N 3.32Å; C468-G471 PolarHBondContact O-N 3Å; L469-G471 VanDerWaalsContact C-N 3.31Å
472S63.5Low84.5Confident82 Ų8243 Ų4357%0.57329%0.285SS*.  trans-105.892.4179.2-550000109.7D478S472-D478 PolarHBondContact OG-OD2 3.11Å
473A54.8Low84.3Confident93 Ų9341.9 Ų41.977%0.76928%0.281SS*.  trans-77.8-22.4175.600000112.9
474S60.4Low84Confident19 Ų1944.9 Ų44.913%0.13330%0.297CS..SBendtrans-99140174.758.50000111.9Q435 F476Q435-S474 PolarHBondContact NE2-OG 3.46Å; S474-F476 PolarHBondContact O-N 3.33Å
475G70.2Confident83.5Confident89 Ų8947.1 Ų47.192%0.91830%0.299SS*.SBendtrans-71.930169.400000115
476F84.2Confident83.2Confident41 Ų4150 Ų5018%0.1832%0.317CS..SBendtrans-107.2157.6179.5-61.3-46.9000111.1L434 D439 S474 D478 P498L434-F476 HydrophobicContact CD1-CB 3.99Å; L434-F476 HydrophobicContact CD1-CD2 4.04Å; L434-F476 HydrophobicContact CD1-CG 4.3Å; L434-F476 HydrophobicContact CD2-CB 4.07Å; L434-F476 HydrophobicContact CG-CB 4.26Å; L434-F476 HydrophobicContact CG-CD2 4.42Å; D439-F476 HydrophobicContact CB-CZ 4.29Å; D439-F476 WeakPolarHBondContact OD1-CZ 3.23Å; S474-F476 PolarHBondContact O-N 3.33Å; F476-D478 PolarHBondContact O-N 3.14Å; F476-P498 HydrophobicContact CD1-CB 4.31Å; F476-P498 HydrophobicContact CD1-CG 4.33Å; F476-P498 HydrophobicContact CD2-CB 4.07Å; F476-P498 HydrophobicContact CD2-CG 4.4Å; F476-P498 HydrophobicContact CE1-CB 4.46Å; F476-P498 HydrophobicContact CE1-CG 4Å; F476-P498 HydrophobicContact CE2-CB 4.22Å; F476-P498 HydrophobicContact CE2-CG 4.07Å; F476-P498 HydrophobicContact CG-CB 4.15Å; F476-P498 HydrophobicContact CZ-CB 4.44Å; F476-P498 HydrophobicContact CZ-CG 3.89Å
477E90.1Very high82.9Confident77 Ų7754.4 Ų54.436%0.3634%0.337SS..EExtended strand (participates in β ladder)trans-80.6116.5-179.8-57.7-170.5-107.300110.6V479 V480 R494 G500E477-V479 VanDerWaalsContact C-N 3.31Å; E477-V479 PolarHBondContact O-N 2.86Å; E477-V480 HydrophobicContact CB-CG2 3.97Å; E477-R494 WeakPolarHBondContact OE1-CG 3.4Å; E477-R494 IonicContact OE1-CZ 2.78Å; E477-R494 IonicContact OE1-NE 2.7Å; E477-R494 PolarHBondContact OE1-NE 3.48Å; E477-R494 IonicContact OE1-NH2 3.63Å; E477-R494 IonicContact OE2-CZ 2.74Å; E477-R494 VanDerWaalsContact OE2-CZ 3.29Å; E477-R494 IonicContact OE2-NE 3.53Å; E477-R494 PolarHBondContact OE2-NE 3.46Å; E477-R494 VanDerWaalsContact OE2-NE 3.15Å; E477-R494 IonicContact OE2-NH2 3.71Å; E477-R494 PolarHBondContact OE2-NH2 3.07Å; E477-G500 PolarHBondContact O-N 3.43Å
478D90.9Very high82.7Confident22 Ų2255.3 Ų55.312%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-63.6-34.5176.1-76.1-69.2000112.2H431 L467 S472 F476 G500 I501H431-D478 IonicContact CE1-OD1 3.05Å; H431-D478 IonicContact CG-OD1 3.77Å; H431-D478 IonicContact ND1-OD1 2.73Å; H431-D478 PolarHBondContact ND1-OD1 3.02Å; L467-D478 HydrophobicContact CD1-CB 4.24Å; S472-D478 PolarHBondContact OG-OD2 3.11Å; F476-D478 PolarHBondContact O-N 3.14Å; D478-G500 CarbonylContact O-C 3.53Å; D478-G500 WeakPolarHBondContact O-CA 3.45Å; D478-I501 PolarHBondContact O-N 3.13Å
479V94.5Very high82.8Confident29 Ų2955.9 Ų55.918%0.17634%0.342CS..EExtended strand (participates in β ladder)trans-139.4129.9176.8-171.80000111.1M463 L467 E477 T481 I501M463-V479 HydrophobicContact CB-CG2 4.2Å; M463-V479 HydrophobicContact SD-CG1 4.45Å; L467-V479 HydrophobicContact CD1-CG2 3.38Å; E477-V479 VanDerWaalsContact C-N 3.31Å; E477-V479 PolarHBondContact O-N 2.86Å; V479-T481 HydrophobicContact CG1-CG2 4.21Å; V479-I501 CarbonylContact C-O 3.55Å; V479-I501 WeakPolarHBondContact CA-O 3.34Å; V479-I501 HydrophobicContact CG2-CB 4.45Å
480V95.1Very high83.3Confident0 Ų055.2 Ų55.20%034%0.339CS..EExtended strand (participates in β ladder)trans-115.1122.2168.2171.80000108.5E477 I491 V499 I501 L502 L503E477-V480 HydrophobicContact CB-CG2 3.97Å; V480-I491 HydrophobicContact CG1-CD1 3.85Å; V480-I491 HydrophobicContact CG1-CG2 4.46Å; V480-V499 HydrophobicContact CB-CG1 4.01Å; V480-V499 HydrophobicContact CG2-CB 4.43Å; V480-V499 HydrophobicContact CG2-CG1 3.57Å; V480-V499 HydrophobicContact CG2-CG2 3.91Å; V480-I501 PolarHBondContact N-O 2.73Å; V480-L502 HydrophobicContact CG1-CD1 4.28Å; V480-L502 WeakPolarHBondContact O-CA 3.29Å; V480-L503 PolarHBondContact O-N 3.49Å
481T96Very high83.8Confident26 Ų2653.3 Ų53.316%0.1633%0.329CS..EExtended strand (participates in β ladder)trans-100.1140.117550.80000112.1E460 V479 I491 L503E460-T481 HydrophobicContact CB-CG2 4.47Å; E460-T481 VanDerWaalsContact CD-CG2 3.43Å; E460-T481 HydrophobicContact CG-CG2 3.96Å; E460-T481 WeakPolarHBondContact OE1-CG2 3.37Å; E460-T481 PolarHBondContact OE1-OG1 2.94Å; V479-T481 HydrophobicContact CG1-CG2 4.21Å; T481-I491 VanDerWaalsContact O-CD1 3.32Å; T481-I491 WeakPolarHBondContact O-CD1 3.12Å; T481-L503 WeakPolarHBondContact CA-O 3.21Å; T481-L503 HydrophobicContact CG2-CB 4.11Å; T481-L503 HydrophobicContact CG2-CD2 3.97Å; T481-L503 HydrophobicContact CG2-CG 4.26Å
482H94.9Very high84.8Confident0 Ų053.2 Ų53.20%032%0.322CS..EExtended strand (participates in β ladder)trans-133.7109.2178.4176-140.1000109.9D484 I491 L502 L503 T504 L508H482-D484 PolarHBondContact NE2-O 3.41Å; H482-I491 HydrophobicContact CB-CD1 4.24Å; H482-I491 HydrophobicContact CB-CG1 4.01Å; H482-I491 HydrophobicContact CB-CG2 4.15Å; H482-L502 HydrophobicContact CB-CD1 4.3Å; H482-L503 PolarHBondContact N-O 3.17Å; H482-T504 PolarHBondContact ND1-OG1 3.41Å; H482-T504 WeakPolarHBondContact O-CA 3.48Å; H482-T504 WeakPolarHBondContact O-CB 3.48Å; H482-T504 PolarHBondContact O-OG1 2.99Å; H482-L508 VanDerWaalsContact O-CD1 3.23Å; H482-L508 WeakPolarHBondContact O-CD1 3.43Å
483W92.3Very high86.1Confident39 Ų3955.8 Ų55.815%0.14832%0.319CS..  trans-128.5-6.6-174.2-58.4122.9000114.9C450 Q453 G456 L503 T504 L508C450-W483 VanDerWaalsContact SG-CH2 3.52Å; Q453-W483 HydrophobicContact CB-CD2 4.05Å; Q453-W483 HydrophobicContact CB-CE3 4Å; Q453-W483 HydrophobicContact CB-CG 4.27Å; Q453-W483 HydrophobicContact CG-CB 4.01Å; Q453-W483 HydrophobicContact CG-CD2 3.79Å; Q453-W483 HydrophobicContact CG-CE3 4.28Å; Q453-W483 HydrophobicContact CG-CG 3.65Å; G456-W483 VanDerWaalsContact CA-CZ2 3.46Å; W483-L503 HydrophobicContact CH2-CD1 4.2Å; W483-L503 HydrophobicContact CH2-CG 3.98Å; W483-L503 HydrophobicContact CZ2-CD1 4.41Å; W483-L503 HydrophobicContact CZ2-CD2 4.09Å; W483-L503 HydrophobicContact CZ2-CG 3.74Å; W483-T504 VanDerWaalsContact CZ3-C 3.47Å; W483-L508 VanDerWaalsContact C-CD1 3.42Å; W483-L508 VanDerWaalsContact CA-CD1 3.42Å
484D87.3Confident87.9Confident64 Ų6454.4 Ų54.434%0.34229%0.294SS..  trans-136.5131.4-177.3-178.34.2000110.8H482 T486 Q487H482-D484 PolarHBondContact NE2-O 3.41Å; D484-T486 PolarHBondContact O-N 3.33Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.2Å; D484-T486 PolarHBondContact OD1-N 3.43Å; D484-T486 PolarHBondContact OD1-OG1 3.07Å; D484-T486 PolarHBondContact OD2-OG1 3.06Å; D484-Q487 HydrophobicContact CB-CG 4.12Å; D484-Q487 PolarHBondContact O-N 2.94Å; D484-Q487 VanDerWaalsContact O-N 3.13Å
485K83Confident89.4Confident108 Ų10853.5 Ų53.547%0.4729%0.288SS..G310 helixtrans-64.2-26.8178.4-63.7-176.1175.1164.90112.5Q487 L488 D507 L508K485-Q487 PolarHBondContact O-N 3.11Å; K485-L488 PolarHBondContact O-N 3.28Å; K485-D507 WeakPolarHBondContact CE-OD2 3.38Å; K485-D507 IonicContact NZ-OD2 2.66Å; K485-D507 PolarHBondContact NZ-OD2 3.1Å; K485-L508 HydrophobicContact CB-CD2 4.46Å; K485-L508 HydrophobicContact CD-CD2 4.24Å; K485-L508 HydrophobicContact CG-CD2 3.37Å
486T84.5Confident90.4Very high116 Ų11655.1 Ų55.171%0.71227%0.269SS*.G310 helixtrans-65.9-27.5175.674.80000112.1D484 L488D484-T486 PolarHBondContact O-N 3.33Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.2Å; D484-T486 PolarHBondContact OD1-N 3.43Å; D484-T486 PolarHBondContact OD1-OG1 3.07Å; D484-T486 PolarHBondContact OD2-OG1 3.06Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 2.94Å
487Q87.1Confident90.6Very high92 Ų9259.7 Ų59.743%0.4329%0.289SS..G310 helixtrans-85.72.8-176-60.3-179.6-5.600113.5D484 K485 V489 D490 I491D484-Q487 HydrophobicContact CB-CG 4.12Å; D484-Q487 PolarHBondContact O-N 2.94Å; D484-Q487 VanDerWaalsContact O-N 3.13Å; K485-Q487 PolarHBondContact O-N 3.11Å; Q487-V489 VanDerWaalsContact C-N 3.26Å; Q487-V489 PolarHBondContact O-N 3.37Å; Q487-V489 VanDerWaalsContact O-N 3.13Å; Q487-D490 WeakPolarHBondContact O-CA 3.43Å; Q487-D490 WeakPolarHBondContact O-CB 3.45Å; Q487-D490 PolarHBondContact O-N 2.87Å; Q487-I491 HydrophobicContact CB-CG1 4.5Å; Q487-I491 PolarHBondContact O-N 3.37Å
488L86.9Confident90.8Very high26 Ų2656 Ų5614%0.13627%0.272CS..Hα-helixtrans-50.1-44.1-176-17970.4000112.9K485 T486 D490 I491 V492 Q511 L512K485-L488 PolarHBondContact O-N 3.28Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 2.94Å; L488-D490 VanDerWaalsContact C-N 3.3Å; L488-D490 PolarHBondContact O-N 3.44Å; L488-I491 PolarHBondContact O-N 3.25Å; L488-V492 HydrophobicContact CD1-CG2 4.2Å; L488-V492 HydrophobicContact CG-CG2 4.32Å; L488-V492 WeakPolarHBondContact O-CB 3.03Å; L488-V492 VanDerWaalsContact O-CG2 3.22Å; L488-V492 WeakPolarHBondContact O-CG2 3.12Å; L488-V492 PolarHBondContact O-N 3.36Å; L488-Q511 HydrophobicContact CD1-CG 4.23Å; L488-Q511 HydrophobicContact CD2-CG 4.26Å; L488-L512 HydrophobicContact CD1-CD2 3.62Å; L488-L512 HydrophobicContact CD1-CG 4.2Å
489V88.3Confident90.9Very high110 Ų11055 Ų5567%0.66727%0.267SS*.Hα-helixtrans-65-34.6-179.4-178.50000111.8Q487 R493Q487-V489 VanDerWaalsContact C-N 3.26Å; Q487-V489 PolarHBondContact O-N 3.37Å; Q487-V489 VanDerWaalsContact O-N 3.13Å; V489-R493 WeakPolarHBondContact O-CB 3.49Å; V489-R493 PolarHBondContact O-N 2.87Å
490D91.8Very high90.9Very high54 Ų5453.7 Ų53.729%0.28926%0.259SS..Hα-helixtrans-69-50.7176.1-172.473.6000111.7Q487 L488 V492 R493 R494Q487-D490 WeakPolarHBondContact O-CA 3.43Å; Q487-D490 WeakPolarHBondContact O-CB 3.45Å; Q487-D490 PolarHBondContact O-N 2.87Å; L488-D490 VanDerWaalsContact C-N 3.3Å; L488-D490 PolarHBondContact O-N 3.44Å; D490-V492 PolarHBondContact O-N 3.22Å; D490-R493 WeakPolarHBondContact O-CA 3.47Å; D490-R493 VanDerWaalsContact O-CB 3.31Å; D490-R493 WeakPolarHBondContact O-CB 3.44Å; D490-R493 PolarHBondContact O-N 3.21Å; D490-R493 IonicContact OD1-CZ 3.14Å; D490-R493 IonicContact OD1-NH1 2.86Å; D490-R493 PolarHBondContact OD1-NH1 3.28Å; D490-R493 IonicContact OD1-NH2 3.05Å; D490-R493 PolarHBondContact OD1-NH2 2.94Å; D490-R494 PolarHBondContact O-N 3.43Å; D490-R494 WeakPolarHBondContact OD2-CD 3.19Å; D490-R494 IonicContact OD2-NH1 3.71Å
491I93.4Very high90.9Very high0 Ų053.7 Ų53.70%026%0.259CS..Hα-helixtrans-61.4-44179-60.1-57000110.8V480 T481 H482 Q487 L488 R493 R494 L495 L512V480-I491 HydrophobicContact CG1-CD1 3.85Å; V480-I491 HydrophobicContact CG1-CG2 4.46Å; T481-I491 VanDerWaalsContact O-CD1 3.32Å; T481-I491 WeakPolarHBondContact O-CD1 3.12Å; H482-I491 HydrophobicContact CB-CD1 4.24Å; H482-I491 HydrophobicContact CB-CG1 4.01Å; H482-I491 HydrophobicContact CB-CG2 4.15Å; Q487-I491 HydrophobicContact CB-CG1 4.5Å; Q487-I491 PolarHBondContact O-N 3.37Å; L488-I491 PolarHBondContact O-N 3.25Å; I491-R493 PolarHBondContact O-N 3.46Å; I491-R494 PolarHBondContact O-N 3.25Å; I491-L495 HydrophobicContact CG2-CD1 3.89Å; I491-L495 HydrophobicContact CG2-CG 4.19Å; I491-L495 WeakPolarHBondContact O-CB 3.41Å; I491-L495 VanDerWaalsContact O-CG 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.27Å; I491-L495 PolarHBondContact O-N 3.38Å; I491-L512 HydrophobicContact CG2-CD1 4.27Å; I491-L512 HydrophobicContact CG2-CD2 4.23Å
492V91.8Very high91Very high30 Ų3052.4 Ų52.418%0.18225%0.251CS..Hα-helixtrans-59.1-36.1174166.90000111.8L488 D490 K496 L512 I521L488-V492 HydrophobicContact CD1-CG2 4.2Å; L488-V492 HydrophobicContact CG-CG2 4.32Å; L488-V492 WeakPolarHBondContact O-CB 3.03Å; L488-V492 VanDerWaalsContact O-CG2 3.22Å; L488-V492 WeakPolarHBondContact O-CG2 3.12Å; L488-V492 PolarHBondContact O-N 3.36Å; D490-V492 PolarHBondContact O-N 3.22Å; V492-K496 WeakPolarHBondContact O-CG 3.23Å; V492-K496 PolarHBondContact O-N 3.07Å; V492-L512 HydrophobicContact CG2-CD2 3.93Å; V492-I521 HydrophobicContact CB-CG2 4.46Å; V492-I521 HydrophobicContact CG1-CG1 4.12Å; V492-I521 HydrophobicContact CG1-CG2 4.3Å; V492-I521 HydrophobicContact CG2-CD1 3.85Å; V492-I521 HydrophobicContact CG2-CG1 4.29Å; V492-I521 HydrophobicContact CG2-CG2 4.12Å
493R90.6Very high91.2Very high137 Ų13752.4 Ų52.452%0.51725%0.251SS..Hα-helixtrans-69.7-40.2176.5-158.2-166.9-38.796.70.9112.2V489 D490 I491 K496V489-R493 WeakPolarHBondContact O-CB 3.49Å; V489-R493 PolarHBondContact O-N 2.87Å; D490-R493 WeakPolarHBondContact O-CA 3.47Å; D490-R493 VanDerWaalsContact O-CB 3.31Å; D490-R493 WeakPolarHBondContact O-CB 3.44Å; D490-R493 PolarHBondContact O-N 3.21Å; D490-R493 IonicContact OD1-CZ 3.14Å; D490-R493 IonicContact OD1-NH1 2.86Å; D490-R493 PolarHBondContact OD1-NH1 3.28Å; D490-R493 IonicContact OD1-NH2 3.05Å; D490-R493 PolarHBondContact OD1-NH2 2.94Å; I491-R493 PolarHBondContact O-N 3.46Å; R493-K496 WeakPolarHBondContact O-CB 3.28Å; R493-K496 PolarHBondContact O-N 2.74Å
494R92.4Very high91.4Very high64 Ų6450.6 Ų50.624%0.24224%0.244CC..Hα-helixtrans-67.5-43.5177.5-69.9165.570.2-169.41.9111.3E477 D490 I491 K496 K497E477-R494 WeakPolarHBondContact OE1-CG 3.4Å; E477-R494 IonicContact OE1-CZ 2.78Å; E477-R494 IonicContact OE1-NE 2.7Å; E477-R494 PolarHBondContact OE1-NE 3.48Å; E477-R494 IonicContact OE1-NH2 3.63Å; E477-R494 IonicContact OE2-CZ 2.74Å; E477-R494 VanDerWaalsContact OE2-CZ 3.29Å; E477-R494 IonicContact OE2-NE 3.53Å; E477-R494 PolarHBondContact OE2-NE 3.46Å; E477-R494 VanDerWaalsContact OE2-NE 3.15Å; E477-R494 IonicContact OE2-NH2 3.71Å; E477-R494 PolarHBondContact OE2-NH2 3.07Å; D490-R494 PolarHBondContact O-N 3.43Å; D490-R494 WeakPolarHBondContact OD2-CD 3.19Å; D490-R494 IonicContact OD2-NH1 3.71Å; I491-R494 PolarHBondContact O-N 3.25Å; R494-K496 PolarHBondContact O-N 3.25Å; R494-K497 PolarHBondContact O-N 3.39Å; R494-K497 VanDerWaalsContact O-N 3.13Å
495L92.8Very high91.8Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-67.5-11.5176.6-63.2-179.1000114.5G443 I491 K497 V499 L502 L512 I521 F522G443-L495 WeakPolarHBondContact CA-O 3.32Å; G443-L495 PolarHBondContact N-O 2.69Å; I491-L495 HydrophobicContact CG2-CD1 3.89Å; I491-L495 HydrophobicContact CG2-CG 4.19Å; I491-L495 WeakPolarHBondContact O-CB 3.41Å; I491-L495 VanDerWaalsContact O-CG 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.27Å; I491-L495 PolarHBondContact O-N 3.38Å; L495-K497 PolarHBondContact O-N 3.46Å; L495-V499 HydrophobicContact CD2-CB 4.43Å; L495-V499 HydrophobicContact CD2-CG2 4.23Å; L495-L502 HydrophobicContact CD1-CD2 4.1Å; L495-L512 HydrophobicContact CD1-CD1 4.35Å; L495-L512 HydrophobicContact CD1-CD2 4.35Å; L495-I521 CarbonylContact C-O 3.53Å; L495-I521 HydrophobicContact CB-CG2 3.99Å; L495-I521 HydrophobicContact CD1-CG2 4.16Å; L495-I521 VanDerWaalsContact O-O 3.04Å; L495-F522 HydrophobicContact CD1-CD1 4.44Å
496K89.8Confident92.2Very high122 Ų12243 Ų4353%0.5321%0.21SC..THydrogen-bonded Turntrans-70.3-5.9169.4-77.8176-179.4-174.90114.1V492 R493 R494V492-K496 WeakPolarHBondContact O-CG 3.23Å; V492-K496 PolarHBondContact O-N 3.07Å; R493-K496 WeakPolarHBondContact O-CB 3.28Å; R493-K496 PolarHBondContact O-N 2.74Å; R494-K496 PolarHBondContact O-N 3.25Å
497K90.2Very high92.5Very high137 Ų13739 Ų3960%0.59618%0.184SC*.SBendtrans-111.3168.2170.2-67.1-174.4177-174.60110.3G441 G443 R494 L495G441-K497 CarbonylContact O-C 3.54Å; G443-K497 PolarHBondContact N-O 3.41Å; R494-K497 PolarHBondContact O-N 3.39Å; R494-K497 VanDerWaalsContact O-N 3.13Å; L495-K497 PolarHBondContact O-N 3.46Å
498P92.4Very high92.8Very high1 Ų134.9 Ų34.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-59.7136.1166.7-19.833.5000110.5L434 R437 G441 F476L434-P498 HydrophobicContact CD1-CB 3.77Å; R437-P498 HydrophobicContact CB-CB 4.25Å; G441-P498 WeakPolarHBondContact O-CD 3.35Å; G441-P498 WeakPolarHBondContact O-CG 3.4Å; F476-P498 HydrophobicContact CD1-CB 4.31Å; F476-P498 HydrophobicContact CD1-CG 4.33Å; F476-P498 HydrophobicContact CD2-CB 4.07Å; F476-P498 HydrophobicContact CD2-CG 4.4Å; F476-P498 HydrophobicContact CE1-CB 4.46Å; F476-P498 HydrophobicContact CE1-CG 4Å; F476-P498 HydrophobicContact CE2-CB 4.22Å; F476-P498 HydrophobicContact CE2-CG 4.07Å; F476-P498 HydrophobicContact CG-CB 4.15Å; F476-P498 HydrophobicContact CZ-CB 4.44Å; F476-P498 HydrophobicContact CZ-CG 3.89Å
499V93.5Very high93.2Very high1 Ų133.7 Ų33.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-134.6148.1176.6168.40000108.1G443 P444 T445 V480 L495G443-V499 PolarHBondContact O-N 3.18Å; P444-V499 CarbonylContact C-O 3.56Å; P444-V499 VanDerWaalsContact CA-O 3.29Å; P444-V499 WeakPolarHBondContact CA-O 3.24Å; T445-V499 PolarHBondContact N-O 3.07Å; V480-V499 HydrophobicContact CB-CG1 4.01Å; V480-V499 HydrophobicContact CG2-CB 4.43Å; V480-V499 HydrophobicContact CG2-CG1 3.57Å; V480-V499 HydrophobicContact CG2-CG2 3.91Å; L495-V499 HydrophobicContact CD2-CB 4.43Å; L495-V499 HydrophobicContact CD2-CG2 4.23Å
500G94Very high93.4Very high0 Ų028.9 Ų28.90%013%0.129CC..EExtended strand (participates in β ladder)trans-68.9-85.3171.800000110.8S430 T445 C446 E477 D478S430-G500 WeakPolarHBondContact OG-CA 3.47Å; S430-G500 PolarHBondContact OG-O 3.27Å; S430-G500 VanDerWaalsContact OG-O 3.05Å; T445-G500 PolarHBondContact N-O 2.85Å; C446-G500 PolarHBondContact N-O 3.46Å; E477-G500 PolarHBondContact O-N 3.43Å; D478-G500 CarbonylContact O-C 3.53Å; D478-G500 WeakPolarHBondContact O-CA 3.45Å
501I96.9Very high93.3Very high0 Ų028.7 Ų28.70%013%0.127CC..EExtended strand (participates in β ladder)trans-111.4127.6-173.5-51177.1000110.6V426 S430 C446 F448 M463 L467 D478 V479 V480V426-I501 HydrophobicContact CG1-CD1 4.13Å; S430-I501 WeakPolarHBondContact OG-CG1 3.38Å; C446-I501 HydrophobicContact CB-CG1 4.31Å; C446-I501 CarbonylContact O-C 3.21Å; C446-I501 WeakPolarHBondContact O-CA 3.44Å; F448-I501 HydrophobicContact CB-CG2 4.02Å; M463-I501 HydrophobicContact CE-CD1 4.07Å; M463-I501 HydrophobicContact CE-CG2 3.93Å; M463-I501 HydrophobicContact CG-CD1 4.39Å; M463-I501 HydrophobicContact SD-CD1 4Å; M463-I501 HydrophobicContact SD-CG2 4.12Å; L467-I501 HydrophobicContact CD1-CD1 4.26Å; D478-I501 PolarHBondContact O-N 3.13Å; V479-I501 CarbonylContact C-O 3.55Å; V479-I501 WeakPolarHBondContact CA-O 3.34Å; V479-I501 HydrophobicContact CG2-CB 4.45Å; V480-I501 PolarHBondContact N-O 2.73Å
502L97.5Very high93.2Very high0 Ų028.7 Ų28.70%013%0.127CC..EExtended strand (participates in β ladder)trans-92.7115.1162.2171.763000109.1P444 C446 F448 V480 H482 L495 T504 L512P444-L502 HydrophobicContact CB-CB 3.77Å; P444-L502 HydrophobicContact CG-CB 3.94Å; P444-L502 HydrophobicContact CG-CD2 4.4Å; C446-L502 PolarHBondContact O-N 3.38Å; F448-L502 PolarHBondContact N-O 3.04Å; V480-L502 HydrophobicContact CG1-CD1 4.28Å; V480-L502 WeakPolarHBondContact O-CA 3.29Å; H482-L502 HydrophobicContact CB-CD1 4.3Å; L495-L502 HydrophobicContact CD1-CD2 4.1Å; L502-T504 HydrophobicContact CG-CG2 4.41Å; L502-L512 HydrophobicContact CD2-CD1 4Å
503L98.1Very high93.1Very high0 Ų027.3 Ų27.30%012%0.118CC..EExtended strand (participates in β ladder)trans-109.9121.1178.5170.666.5000110.9F448 I459 E460 M463 V480 T481 H482 W483F448-L503 HydrophobicContact CB-CB 4.46Å; F448-L503 HydrophobicContact CB-CD1 3.9Å; F448-L503 HydrophobicContact CD1-CD1 3.58Å; F448-L503 HydrophobicContact CE1-CD1 4.47Å; F448-L503 HydrophobicContact CG-CD1 4.01Å; F448-L503 WeakPolarHBondContact O-CA 3.35Å; I459-L503 HydrophobicContact CG2-CD1 4.45Å; I459-L503 HydrophobicContact CG2-CD2 4.41Å; E460-L503 HydrophobicContact CB-CD2 3.86Å; M463-L503 HydrophobicContact SD-CD2 4.11Å; V480-L503 PolarHBondContact O-N 3.49Å; T481-L503 WeakPolarHBondContact CA-O 3.21Å; T481-L503 HydrophobicContact CG2-CB 4.11Å; T481-L503 HydrophobicContact CG2-CD2 3.97Å; T481-L503 HydrophobicContact CG2-CG 4.26Å; H482-L503 PolarHBondContact N-O 3.17Å; W483-L503 HydrophobicContact CH2-CD1 4.2Å; W483-L503 HydrophobicContact CH2-CG 3.98Å; W483-L503 HydrophobicContact CZ2-CD1 4.41Å; W483-L503 HydrophobicContact CZ2-CD2 4.09Å; W483-L503 HydrophobicContact CZ2-CG 3.74Å
504T97.3Very high92.9Very high0 Ų025.1 Ų25.10%012%0.117CC..EExtended strand (participates in β ladder)trans-158-175-169.7-164.60000113.8F448 V449 C450 H482 W483 L502 L508 L509F448-T504 PolarHBondContact O-N 3.37Å; V449-T504 WeakPolarHBondContact CA-O 3.48Å; C450-T504 PolarHBondContact N-O 3.1Å; H482-T504 PolarHBondContact ND1-OG1 3.41Å; H482-T504 WeakPolarHBondContact O-CA 3.48Å; H482-T504 WeakPolarHBondContact O-CB 3.48Å; H482-T504 PolarHBondContact O-OG1 2.99Å; W483-T504 VanDerWaalsContact CZ3-C 3.47Å; L502-T504 HydrophobicContact CG-CG2 4.41Å; T504-L508 VanDerWaalsContact OG1-CB 3.3Å; T504-L508 WeakPolarHBondContact OG1-CB 3.15Å; T504-L509 HydrophobicContact CG2-CB 3.88Å
505S94.6Very high92.4Very high11 Ų1127 Ų278%0.07713%0.128CC..  trans-104.3169.1172.662.10000112.3D507 L508 L509S505-D507 WeakPolarHBondContact CB-OD1 3.3Å; S505-D507 PolarHBondContact OG-OD1 2.88Å; S505-L508 PolarHBondContact O-N 3.12Å; S505-L508 WeakPolarHBondContact OG-CB 3.34Å; S505-L508 VanDerWaalsContact OG-CD1 3.32Å; S505-L508 WeakPolarHBondContact OG-CD1 3.4Å; S505-L508 VanDerWaalsContact OG-CG 3.24Å; S505-L508 WeakPolarHBondContact OG-CG 3.41Å; S505-L509 WeakPolarHBondContact O-CB 3.33Å; S505-L509 PolarHBondContact O-N 3.16Å
506V93.3Very high91.7Very high2 Ų227.3 Ų27.31%0.01213%0.13CC..Hα-helixtrans-59.2-49.5-176170.40000113.2V449 L509 L510 M538 L542 D545 L549V449-V506 HydrophobicContact CG1-CG2 3.83Å; V506-L509 PolarHBondContact O-N 3.18Å; V506-L510 PolarHBondContact O-N 2.79Å; V506-M538 HydrophobicContact CG2-CB 4.01Å; V506-M538 HydrophobicContact CG2-CG 3.95Å; V506-M538 HydrophobicContact CG2-SD 3.65Å; V506-L542 HydrophobicContact CB-CD1 4.16Å; V506-D545 HydrophobicContact CG1-CB 4.22Å; V506-L549 HydrophobicContact CB-CD2 4.35Å; V506-L549 HydrophobicContact CG1-CB 4.22Å; V506-L549 HydrophobicContact CG1-CD2 4Å; V506-L549 HydrophobicContact CG2-CD2 4.17Å
507D90.2Very high90.6Very high32 Ų3226.9 Ų26.917%0.17114%0.139CC..Hα-helixtrans-67.2-38.7-177.863.9-43.9000112.1K485 S505 L510 Q511 L542K485-D507 WeakPolarHBondContact CE-OD2 3.38Å; K485-D507 IonicContact NZ-OD2 2.66Å; K485-D507 PolarHBondContact NZ-OD2 3.1Å; S505-D507 WeakPolarHBondContact CB-OD1 3.3Å; S505-D507 PolarHBondContact OG-OD1 2.88Å; D507-L510 PolarHBondContact O-N 3.22Å; D507-Q511 PolarHBondContact O-N 3.01Å; D507-L542 HydrophobicContact CB-CD1 3.92Å
508L93.8Very high89.3Confident5 Ų526.5 Ų26.53%0.02615%0.148CC..Hα-helixtrans-70.3-38.2177.2-69.1-175.6000112.6H482 W483 K485 T504 S505 Q511 L512H482-L508 VanDerWaalsContact O-CD1 3.23Å; H482-L508 WeakPolarHBondContact O-CD1 3.43Å; W483-L508 VanDerWaalsContact C-CD1 3.42Å; W483-L508 VanDerWaalsContact CA-CD1 3.42Å; K485-L508 HydrophobicContact CB-CD2 4.46Å; K485-L508 HydrophobicContact CD-CD2 4.24Å; K485-L508 HydrophobicContact CG-CD2 3.37Å; T504-L508 VanDerWaalsContact OG1-CB 3.3Å; T504-L508 WeakPolarHBondContact OG1-CB 3.15Å; S505-L508 PolarHBondContact O-N 3.12Å; S505-L508 WeakPolarHBondContact OG-CB 3.34Å; S505-L508 VanDerWaalsContact OG-CD1 3.32Å; S505-L508 WeakPolarHBondContact OG-CD1 3.4Å; S505-L508 VanDerWaalsContact OG-CG 3.24Å; S505-L508 WeakPolarHBondContact OG-CG 3.41Å; L508-Q511 PolarHBondContact O-N 3.08Å; L508-L512 PolarHBondContact O-N 3.2Å; L508-L512 VanDerWaalsContact O-N 3.16Å
509L94.8Very high88.3Confident1 Ų127.5 Ų27.51%0.00516%0.158CC..Hα-helixtrans-64.5-47.8170.5-18057000110.8I447 V449 T504 S505 V506 Q511 L512 L513 L549I447-L509 HydrophobicContact CD1-CD1 4.41Å; I447-L509 HydrophobicContact CG2-CD1 4.05Å; I447-L509 HydrophobicContact CG2-CD2 3.85Å; V449-L509 HydrophobicContact CG2-CD2 3.55Å; T504-L509 HydrophobicContact CG2-CB 3.88Å; S505-L509 WeakPolarHBondContact O-CB 3.33Å; S505-L509 PolarHBondContact O-N 3.16Å; V506-L509 PolarHBondContact O-N 3.18Å; L509-Q511 VanDerWaalsContact C-N 3.26Å; L509-Q511 PolarHBondContact O-N 2.89Å; L509-L512 WeakPolarHBondContact O-CA 3.48Å; L509-L512 WeakPolarHBondContact O-CB 3.24Å; L509-L512 PolarHBondContact O-N 2.96Å; L509-L513 HydrophobicContact CD1-CD1 4.5Å; L509-L513 HydrophobicContact CD1-CD2 4.1Å; L509-L513 HydrophobicContact CD1-CG 4.08Å; L509-L513 HydrophobicContact CG-CD1 4.19Å; L509-L513 HydrophobicContact CG-CG 4.19Å; L509-L513 WeakPolarHBondContact O-CG 3.1Å; L509-L513 PolarHBondContact O-N 3.18Å; L509-L549 HydrophobicContact CD2-CD1 3.75Å; L509-L549 HydrophobicContact CD2-CD2 4.08Å; L509-L549 HydrophobicContact CG-CD1 4.05Å
510L92Very high87.5Confident10 Ų1030.2 Ų30.25%0.05218%0.178CC..Hα-helixtrans-57.2-39.7176.9-88.7-180000112.9V506 D507 L513 N514 D545 K548 L549 R552V506-L510 PolarHBondContact O-N 2.79Å; D507-L510 PolarHBondContact O-N 3.22Å; L510-L513 PolarHBondContact O-N 3.04Å; L510-N514 WeakPolarHBondContact O-CB 3.44Å; L510-N514 PolarHBondContact O-N 3.46Å; L510-N514 PolarHBondContact O-ND2 3.48Å; L510-D545 HydrophobicContact CD1-CB 3.83Å; L510-D545 WeakPolarHBondContact CD1-O 3.44Å; L510-K548 HydrophobicContact CD1-CB 3.94Å; L510-K548 HydrophobicContact CD2-CB 4.43Å; L510-L549 HydrophobicContact CD1-CB 4.35Å; L510-L549 HydrophobicContact CD2-CB 4.18Å; L510-L549 HydrophobicContact CD2-CD1 4.27Å; L510-L549 HydrophobicContact CG-CB 4.06Å; L510-L549 HydrophobicContact CG-CD1 4.37Å; L510-R552 HydrophobicContact CD2-CG 4.4Å
511Q90.3Very high86.9Confident50 Ų5030.6 Ų30.623%0.23418%0.179CC..Hα-helixtrans-59.4-47.6174-171.8171.88.100111.1L488 D507 L508 L509 N514 H515L488-Q511 HydrophobicContact CD1-CG 4.23Å; L488-Q511 HydrophobicContact CD2-CG 4.26Å; D507-Q511 PolarHBondContact O-N 3.01Å; L508-Q511 PolarHBondContact O-N 3.08Å; L509-Q511 VanDerWaalsContact C-N 3.26Å; L509-Q511 PolarHBondContact O-N 2.89Å; Q511-N514 PolarHBondContact O-N 2.92Å; Q511-H515 PolarHBondContact O-CD2 3.45Å; Q511-H515 PolarHBondContact O-N 3.49Å; Q511-H515 VanDerWaalsContact O-N 3.16Å
512L91.2Very high86.5Confident0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-61.1-44175.2-72.1167.8000112.6L488 I491 V492 L495 L502 L508 L509 H515 N516L488-L512 HydrophobicContact CD1-CD2 3.62Å; L488-L512 HydrophobicContact CD1-CG 4.2Å; I491-L512 HydrophobicContact CG2-CD1 4.27Å; I491-L512 HydrophobicContact CG2-CD2 4.23Å; V492-L512 HydrophobicContact CG2-CD2 3.93Å; L495-L512 HydrophobicContact CD1-CD1 4.35Å; L495-L512 HydrophobicContact CD1-CD2 4.35Å; L502-L512 HydrophobicContact CD2-CD1 4Å; L508-L512 PolarHBondContact O-N 3.2Å; L508-L512 VanDerWaalsContact O-N 3.16Å; L509-L512 WeakPolarHBondContact O-CA 3.48Å; L509-L512 WeakPolarHBondContact O-CB 3.24Å; L509-L512 PolarHBondContact O-N 2.96Å; L512-H515 PolarHBondContact O-N 3.13Å; L512-N516 WeakPolarHBondContact O-CB 3.41Å; L512-N516 PolarHBondContact O-N 2.97Å
513L88.9Confident86.1Confident1 Ų133.7 Ų33.71%0.00520%0.196CC..Hα-helixtrans-64-40.9179.1-62.9-176.1000111.9L509 L510 H515 N516 F522 L549 M556 F557L509-L513 HydrophobicContact CD1-CD1 4.5Å; L509-L513 HydrophobicContact CD1-CD2 4.1Å; L509-L513 HydrophobicContact CD1-CG 4.08Å; L509-L513 HydrophobicContact CG-CD1 4.19Å; L509-L513 HydrophobicContact CG-CG 4.19Å; L509-L513 WeakPolarHBondContact O-CG 3.1Å; L509-L513 PolarHBondContact O-N 3.18Å; L510-L513 PolarHBondContact O-N 3.04Å; L513-H515 VanDerWaalsContact C-N 3.3Å; L513-H515 PolarHBondContact O-N 2.87Å; L513-N516 PolarHBondContact O-N 3.08Å; L513-N516 VanDerWaalsContact O-N 3.08Å; L513-F522 HydrophobicContact CD2-CE1 4.33Å; L513-F522 HydrophobicContact CD2-CZ 3.66Å; L513-L549 HydrophobicContact CD1-CD1 3.74Å; L513-M556 HydrophobicContact CB-CE 4.4Å; L513-M556 HydrophobicContact CB-SD 3.91Å; L513-M556 HydrophobicContact CD1-SD 4.09Å; L513-M556 HydrophobicContact CD2-CE 3.8Å; L513-M556 HydrophobicContact CD2-SD 3.78Å; L513-M556 HydrophobicContact CG-SD 4.11Å; L513-F557 HydrophobicContact CD2-CE2 4.45Å; L513-F557 HydrophobicContact CD2-CZ 4.32Å
514N86.1Confident85.6Confident91 Ų9134.7 Ų34.749%0.48721%0.205SC..Hα-helixtrans-69.7-26.7179-69.8-22.5000113L510 Q511 N516 R552L510-N514 WeakPolarHBondContact O-CB 3.44Å; L510-N514 PolarHBondContact O-N 3.46Å; L510-N514 PolarHBondContact O-ND2 3.48Å; Q511-N514 PolarHBondContact O-N 2.92Å; N514-N516 VanDerWaalsContact C-N 3.32Å; N514-R552 PolarHBondContact OD1-NH2 3.32Å
515H83.1Confident85.1Confident103 Ų10338.8 Ų38.848%0.47722%0.224SC..THydrogen-bonded Turntrans-86.13.6170.8-68.8-64.5000114Q511 L512 L513 P517 I521Q511-H515 PolarHBondContact O-CD2 3.45Å; Q511-H515 PolarHBondContact O-N 3.49Å; Q511-H515 VanDerWaalsContact O-N 3.16Å; L512-H515 PolarHBondContact O-N 3.13Å; L513-H515 VanDerWaalsContact C-N 3.3Å; L513-H515 PolarHBondContact O-N 2.87Å; H515-P517 VanDerWaalsContact O-CD 3.22Å; H515-P517 WeakPolarHBondContact O-CD 3.48Å; H515-I521 VanDerWaalsContact C-CD1 3.48Å; H515-I521 HydrophobicContact CB-CD1 3.7Å; H515-I521 VanDerWaalsContact O-CD1 3.24Å; H515-I521 WeakPolarHBondContact O-CD1 3.43Å
516N78.3Confident84.9Confident7 Ų738.7 Ų38.74%0.03722%0.223CC..  trans-11246.2-178.6-162.327.3000115.1L512 L513 N514 V518 G519 S520 I521 F522L512-N516 WeakPolarHBondContact O-CB 3.41Å; L512-N516 PolarHBondContact O-N 2.97Å; L513-N516 PolarHBondContact O-N 3.08Å; L513-N516 VanDerWaalsContact O-N 3.08Å; N514-N516 VanDerWaalsContact C-N 3.32Å; N516-V518 PolarHBondContact O-N 3.11Å; N516-V518 VanDerWaalsContact O-N 3.13Å; N516-G519 PolarHBondContact O-N 2.86Å; N516-G519 WeakPolarHBondContact OD1-CA 3.35Å; N516-G519 PolarHBondContact OD1-N 2.77Å; N516-S520 PolarHBondContact OD1-N 2.87Å; N516-I521 HydrophobicContact CB-CB 4.25Å; N516-I521 HydrophobicContact CB-CD1 4.08Å; N516-I521 HydrophobicContact CB-CG1 4.29Å; N516-I521 PolarHBondContact OD1-N 2.82Å; N516-F522 PolarHBondContact ND2-O 3.38Å; N516-F522 PolarHBondContact OD1-N 3.11Å
517P65.3Low84.9Confident112 Ų11238.7 Ų38.773%0.72722%0.223SC*.THydrogen-bonded Turntrans-67.8-14.6-170.828-35.7000115.5H515H515-P517 VanDerWaalsContact O-CD 3.22Å; H515-P517 WeakPolarHBondContact O-CD 3.48Å
518V64.9Low85.1Confident129 Ų12941.3 Ų41.378%0.78223%0.233SC*.THydrogen-bonded Turntrans-133.324.9-177.9-155.30000112.1N516 S520N516-V518 PolarHBondContact O-N 3.11Å; N516-V518 VanDerWaalsContact O-N 3.13Å; V518-S520 PolarHBondContact O-N 3.33Å
519G70.8Confident85.2Confident22 Ų2241.6 Ų41.623%0.22724%0.236CC..SBendtrans62.724.6-173.200000113.7N516 F522N516-G519 PolarHBondContact O-N 2.86Å; N516-G519 WeakPolarHBondContact OD1-CA 3.35Å; N516-G519 PolarHBondContact OD1-N 2.77Å; G519-F522 VanDerWaalsContact CA-O 3.28Å; G519-F522 WeakPolarHBondContact CA-O 3.49Å
520S75.8Confident85.3Confident59 Ų5941.6 Ų41.641%0.41324%0.236SC..SBendtrans-71.6-27.2-176.351.40000113.7N516 V518N516-S520 PolarHBondContact OD1-N 2.87Å; V518-S520 PolarHBondContact O-N 3.33Å
521I82.9Confident85.6Confident7 Ų741.1 Ų41.14%0.03623%0.233CC..SBendtrans-91.4-53.1173.6-56.3175000109V492 L495 H515 N516V492-I521 HydrophobicContact CB-CG2 4.46Å; V492-I521 HydrophobicContact CG1-CG1 4.12Å; V492-I521 HydrophobicContact CG1-CG2 4.3Å; V492-I521 HydrophobicContact CG2-CD1 3.85Å; V492-I521 HydrophobicContact CG2-CG1 4.29Å; V492-I521 HydrophobicContact CG2-CG2 4.12Å; L495-I521 CarbonylContact C-O 3.53Å; L495-I521 HydrophobicContact CB-CG2 3.99Å; L495-I521 HydrophobicContact CD1-CG2 4.16Å; L495-I521 VanDerWaalsContact O-O 3.04Å; H515-I521 VanDerWaalsContact C-CD1 3.48Å; H515-I521 HydrophobicContact CB-CD1 3.7Å; H515-I521 VanDerWaalsContact O-CD1 3.24Å; H515-I521 WeakPolarHBondContact O-CD1 3.43Å; N516-I521 HydrophobicContact CB-CB 4.25Å; N516-I521 HydrophobicContact CB-CD1 4.08Å; N516-I521 HydrophobicContact CB-CG1 4.29Å; N516-I521 PolarHBondContact OD1-N 2.82Å
522F87Confident85.9Confident0 Ų038.9 Ų38.90%022%0.222CC..  trans-147.8152.7176.363.6-93.2000113.4I447 L495 L513 N516 G519 V527 F557I447-F522 HydrophobicContact CD1-CE2 4.18Å; I447-F522 HydrophobicContact CD1-CZ 4.11Å; L495-F522 HydrophobicContact CD1-CD1 4.44Å; L513-F522 HydrophobicContact CD2-CE1 4.33Å; L513-F522 HydrophobicContact CD2-CZ 3.66Å; N516-F522 PolarHBondContact ND2-O 3.38Å; N516-F522 PolarHBondContact OD1-N 3.11Å; G519-F522 VanDerWaalsContact CA-O 3.28Å; G519-F522 WeakPolarHBondContact CA-O 3.49Å; F522-V527 HydrophobicContact CD2-CG2 4.33Å; F522-V527 HydrophobicContact CE2-CG2 4.22Å; F522-F557 HydrophobicContact CE2-CE1 4.13Å; F522-F557 HydrophobicContact CE2-CZ 4.02Å; F522-F557 HydrophobicContact CZ-CZ 4.36Å
523D88.6Confident86.1Confident66 Ų6638.9 Ų38.935%0.35322%0.223SC..  trans-78.2121.5171.9171.222000110.5Q525 A526D523-Q525 VanDerWaalsContact C-N 3.34Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.37Å; D523-Q525 PolarHBondContact OD1-N 3.16Å; D523-A526 HydrophobicContact CB-CB 4.23Å; D523-A526 WeakPolarHBondContact O-CB 3.39Å; D523-A526 PolarHBondContact O-N 3.08Å; D523-A526 PolarHBondContact OD2-N 3.33Å
524A87.8Confident86.3Confident21 Ų2139.6 Ų39.617%0.17423%0.226CC..G310 helixtrans-73.1-23.4178.900000113.4A526 V527 M556 F557A524-A526 PolarHBondContact O-N 3.27Å; A524-V527 PolarHBondContact O-N 2.88Å; A524-M556 VanDerWaalsContact CB-O 3.23Å; A524-M556 WeakPolarHBondContact CB-O 3.47Å; A524-F557 HydrophobicContact CB-CD1 3.98Å; A524-F557 HydrophobicContact CB-CE1 3.81Å
525Q88.3Confident86.7Confident86 Ų8635.3 Ų35.340%0.40220%0.203SC..G310 helixtrans-72.8-18.2175.7-62.6-63.2-42.800112.5D523 K528D523-Q525 VanDerWaalsContact C-N 3.34Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.37Å; D523-Q525 PolarHBondContact OD1-N 3.16Å; Q525-K528 PolarHBondContact O-NZ 3.43Å
526A89.8Confident87Confident8 Ų831.4 Ų31.47%0.06619%0.186CC..G310 helixtrans-73.8-29.217300000113.4R437 D523 A524 K528R437-A526 VanDerWaalsContact CZ-CB 3.43Å; D523-A526 HydrophobicContact CB-CB 4.23Å; D523-A526 WeakPolarHBondContact O-CB 3.39Å; D523-A526 PolarHBondContact O-N 3.08Å; D523-A526 PolarHBondContact OD2-N 3.33Å; A524-A526 PolarHBondContact O-N 3.27Å; A526-K528 WeakPolarHBondContact O-CG 3.39Å; A526-K528 PolarHBondContact O-N 2.95Å
527V93.6Very high87.4Confident2 Ų231.2 Ų31.21%0.01219%0.185CC..  trans-70.7113.8-178.9-177.50000109.2P444 T445 I447 F522 A524 I530 F557P444-V527 HydrophobicContact CG-CG2 4.37Å; P444-V527 WeakPolarHBondContact O-CG2 3.43Å; T445-V527 CarbonylContact O-C 3.55Å; T445-V527 WeakPolarHBondContact O-CA 3.4Å; I447-V527 HydrophobicContact CD1-CG1 4.21Å; I447-V527 HydrophobicContact CD1-CG2 4.08Å; I447-V527 HydrophobicContact CG1-CG1 4.12Å; I447-V527 HydrophobicContact CG1-CG2 4.34Å; F522-V527 HydrophobicContact CD2-CG2 4.33Å; F522-V527 HydrophobicContact CE2-CG2 4.22Å; A524-V527 PolarHBondContact O-N 2.88Å; V527-I530 HydrophobicContact CG1-CD1 4.37Å; V527-I530 HydrophobicContact CG1-CG1 3.86Å; V527-F557 HydrophobicContact CB-CD1 4.07Å; V527-F557 HydrophobicContact CB-CE1 3.87Å; V527-F557 HydrophobicContact CG1-CD1 4.36Å; V527-F557 HydrophobicContact CG1-CE1 4.18Å; V527-F557 HydrophobicContact CG2-CD1 4.44Å; V527-F557 HydrophobicContact CG2-CE1 3.75Å
528K94.1Very high88.5Confident87 Ų8726 Ų2638%0.37815%0.151SC..  trans-97.8-15.8-180-55.5-47.8-180-167.90113.4T445 Q525 A526 C564 Q565T445-K528 HydrophobicContact CG2-CB 4.41Å; T445-K528 HydrophobicContact CG2-CG 4.21Å; T445-K528 PolarHBondContact O-N 2.91Å; Q525-K528 PolarHBondContact O-NZ 3.43Å; A526-K528 WeakPolarHBondContact O-CG 3.39Å; A526-K528 PolarHBondContact O-N 2.95Å; K528-C564 WeakPolarHBondContact O-CA 3.31Å; K528-Q565 PolarHBondContact O-N 3.49Å
529C95.3Very high89.5Confident12 Ų1221.1 Ų21.18%0.08112%0.122CC..EExtended strand (participates in β ladder)trans-150.8135.8-177.1-179.20000111.9C446 I447 Q565 L567C446-C529 CarbonylContact C-O 3.3Å; C446-C529 VanDerWaalsContact CA-O 3.29Å; C446-C529 WeakPolarHBondContact CA-O 3.36Å; C446-C529 HydrophobicContact CB-CB 4.22Å; C446-C529 PolarHBondContact SG-O 3.37Å; I447-C529 PolarHBondContact N-O 2.94Å; C529-Q565 CarbonylContact C-O 3.58Å; C529-Q565 WeakPolarHBondContact CA-O 3.06Å; C529-L567 WeakPolarHBondContact SG-CD1 3.28Å
530I97.1Very high89.8Confident1 Ų127.3 Ų27.31%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-122.2127.5169.1-61.1178.2000108.4I447 V527 L532 L553 F557 L559 Q565 L566 L567I447-I530 HydrophobicContact CB-CG1 4.35Å; I447-I530 CarbonylContact O-C 3.55Å; I447-I530 VanDerWaalsContact O-CA 3.3Å; I447-I530 WeakPolarHBondContact O-CA 3.45Å; V527-I530 HydrophobicContact CG1-CD1 4.37Å; V527-I530 HydrophobicContact CG1-CG1 3.86Å; I530-L532 HydrophobicContact CG2-CD2 4.21Å; I530-L553 HydrophobicContact CD1-CD2 3.87Å; I530-F557 HydrophobicContact CD1-CB 4.23Å; I530-F557 HydrophobicContact CD1-CD1 4.08Å; I530-F557 HydrophobicContact CD1-CD2 3.44Å; I530-F557 VanDerWaalsContact CD1-CD2 3.44Å; I530-F557 HydrophobicContact CD1-CE1 4.32Å; I530-F557 HydrophobicContact CD1-CE2 3.72Å; I530-F557 HydrophobicContact CD1-CG 3.64Å; I530-F557 HydrophobicContact CD1-CZ 4.15Å; I530-L559 HydrophobicContact CD1-CD2 4.41Å; I530-Q565 PolarHBondContact N-O 2.81Å; I530-L566 HydrophobicContact CB-CD1 4.09Å; I530-L566 HydrophobicContact CG2-CD1 4.03Å; I530-L566 WeakPolarHBondContact O-CA 3.27Å; I530-L567 PolarHBondContact O-N 3.09Å
531A97.8Very high89.8Confident0 Ų027.5 Ų27.50%014%0.137CC..EExtended strand (participates in β ladder)trans-114.6127.8176.500000111.2Y422 I447 F448 V449 L567Y422-A531 HydrophobicContact CE2-CB 4.18Å; I447-A531 PolarHBondContact O-N 2.89Å; F448-A531 HydrophobicContact CD1-CB 4.42Å; F448-A531 HydrophobicContact CD2-CB 3.56Å; F448-A531 HydrophobicContact CE2-CB 3.72Å; F448-A531 HydrophobicContact CG-CB 3.95Å; F448-A531 HydrophobicContact CZ-CB 4.19Å; V449-A531 PolarHBondContact N-O 3.3Å; A531-L567 CarbonylContact C-O 3.57Å; A531-L567 WeakPolarHBondContact CA-O 3.47Å; A531-L567 HydrophobicContact CB-CB 4.18Å; A531-L567 HydrophobicContact CB-CD1 4.35Å
532L97.5Very high89.6Confident2 Ų228.5 Ų28.51%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-114.587.1175.2-54.9-179.1000108.6V449 I530 L535 M538 L550 L553 L566 L567 V568 S569V449-L532 HydrophobicContact CB-CD2 3.89Å; V449-L532 HydrophobicContact CG2-CD2 3.84Å; I530-L532 HydrophobicContact CG2-CD2 4.21Å; L532-L535 HydrophobicContact CD1-CD1 4.47Å; L532-M538 HydrophobicContact CB-CE 4.28Å; L532-L550 HydrophobicContact CD1-CD2 3.8Å; L532-L553 HydrophobicContact CD1-CD1 4.27Å; L532-L566 HydrophobicContact CD1-CD1 4.24Å; L532-L566 HydrophobicContact CG-CD1 4.26Å; L532-L567 PolarHBondContact N-O 3.15Å; L532-V568 HydrophobicContact CB-CG1 4.5Å; L532-V568 HydrophobicContact CB-CG2 4.44Å; L532-V568 HydrophobicContact CD1-CG2 4.4Å; L532-S569 PolarHBondContact O-N 3.06Å
533D96Very high89.3Confident1 Ų130.3 Ų30.31%0.00515%0.154CC..THydrogen-bonded Turntrans-85.9127.7-175.7-163.524.7000112.2T419 Y422 F448 V449 P451 M538 S569T419-D533 WeakPolarHBondContact CB-OD2 3.49Å; T419-D533 VanDerWaalsContact CG2-OD2 3.25Å; T419-D533 WeakPolarHBondContact CG2-OD2 3.5Å; T419-D533 PolarHBondContact OG1-OD1 2.84Å; T419-D533 PolarHBondContact OG1-OD2 2.93Å; Y422-D533 WeakPolarHBondContact OH-CB 3.42Å; Y422-D533 PolarHBondContact OH-OD1 2.92Å; F448-D533 HydrophobicContact CE1-CB 3.68Å; F448-D533 HydrophobicContact CZ-CB 3.98Å; V449-D533 PolarHBondContact O-N 3.2Å; P451-D533 WeakPolarHBondContact CD-O 3.21Å; D533-M538 WeakPolarHBondContact O-CE 3.31Å; D533-S569 WeakPolarHBondContact OD1-CB 3.27Å; D533-S569 PolarHBondContact OD1-OG 3.24Å
534N92.6Very high88.9Confident15 Ų1530.6 Ų30.68%0.0816%0.155CC..THydrogen-bonded Turntrans5652.2-172.8-57.9-53.4000113.8K418 P451 Q455 N536 D537 M538 S569K418-N534 WeakPolarHBondContact CE-OD1 3.22Å; P451-N534 HydrophobicContact CG-CB 3.9Å; Q455-N534 PolarHBondContact OE1-ND2 2.86Å; Q455-N534 VanDerWaalsContact OE1-ND2 3.08Å; N534-N536 PolarHBondContact O-N 2.97Å; N534-N536 VanDerWaalsContact O-N 3.09Å; N534-D537 HydrophobicContact CB-CB 4.22Å; N534-D537 WeakPolarHBondContact O-CA 3.36Å; N534-D537 WeakPolarHBondContact O-CB 3.35Å; N534-D537 PolarHBondContact O-N 3.29Å; N534-M538 PolarHBondContact O-N 3.42Å; N534-S569 CarbonylContact C-O 3.54Å; N534-S569 VanDerWaalsContact CA-O 3.23Å; N534-S569 WeakPolarHBondContact CA-O 3.48Å; N534-S569 PolarHBondContact N-O 3.43Å; N534-S569 VanDerWaalsContact N-O 3.09Å; N534-S569 PolarHBondContact N-OG 3.36Å
535L94.1Very high88.8Confident1 Ų131.7 Ų31.71%0.00516%0.158CC..Hα-helixtrans-48.8-37.4178.4179.166.4000114L532 D537 M538 V539 T546 V568 S569 L577 M578 I582L532-L535 HydrophobicContact CD1-CD1 4.47Å; L535-D537 VanDerWaalsContact C-N 3.29Å; L535-D537 PolarHBondContact O-N 2.85Å; L535-M538 HydrophobicContact CD1-SD 4.05Å; L535-M538 WeakPolarHBondContact O-CB 3.45Å; L535-M538 PolarHBondContact O-N 3.09Å; L535-M538 VanDerWaalsContact O-N 3.14Å; L535-V539 HydrophobicContact CD1-CG2 4.4Å; L535-V539 PolarHBondContact O-N 3.01Å; L535-T546 HydrophobicContact CD1-CG2 3.9Å; L535-V568 HydrophobicContact CB-CG1 4.11Å; L535-V568 HydrophobicContact CD2-CG1 3.83Å; L535-S569 PolarHBondContact N-O 3.46Å; L535-L577 HydrophobicContact CD2-CD2 3.95Å; L535-L577 HydrophobicContact CD2-CG 4.31Å; L535-L577 HydrophobicContact CG-CD2 4.15Å; L535-M578 HydrophobicContact CD2-CE 4.24Å; L535-M578 HydrophobicContact CD2-SD 4.43Å; L535-I582 HydrophobicContact CD2-CD1 3.5Å; L535-I582 HydrophobicContact CD2-CG1 3.63Å
536N89.4Confident88.9Confident21 Ų2127.7 Ų27.711%0.11214%0.139CC..Hα-helixtrans-62.9-35.2176.4-54.5101.6000112.8N534 R540 G570 R571 I572N534-N536 PolarHBondContact O-N 2.97Å; N534-N536 VanDerWaalsContact O-N 3.09Å; N536-R540 WeakPolarHBondContact O-CB 3.18Å; N536-R540 PolarHBondContact O-N 2.8Å; N536-G570 WeakPolarHBondContact OD1-CA 3.28Å; N536-R571 PolarHBondContact OD1-N 3.06Å; N536-I572 PolarHBondContact ND2-O 3.22Å; N536-I572 PolarHBondContact OD1-N 3.3Å; N536-I572 VanDerWaalsContact OD1-N 3.13Å; N536-I572 PolarHBondContact OD1-O 2.94Å
537D86.3Confident88.9Confident3 Ų329.6 Ų29.62%0.01615%0.148CC..Hα-helixtrans-71.6-34.3175.4-72-37.8000110.2P451 N534 L535 R540 V541 R571P451-D537 HydrophobicContact CB-CB 3.82Å; P451-D537 HydrophobicContact CG-CB 3.58Å; N534-D537 HydrophobicContact CB-CB 4.22Å; N534-D537 WeakPolarHBondContact O-CA 3.36Å; N534-D537 WeakPolarHBondContact O-CB 3.35Å; N534-D537 PolarHBondContact O-N 3.29Å; L535-D537 VanDerWaalsContact C-N 3.29Å; L535-D537 PolarHBondContact O-N 2.85Å; D537-R540 PolarHBondContact O-N 2.77Å; D537-R540 IonicContact OD1-CZ 3.59Å; D537-R540 IonicContact OD1-NH1 2.74Å; D537-R540 PolarHBondContact OD1-NH1 2.79Å; D537-R540 IonicContact OD1-NH2 2.77Å; D537-R540 PolarHBondContact OD1-NH2 2.99Å; D537-V541 VanDerWaalsContact O-CG2 3.28Å; D537-V541 WeakPolarHBondContact O-CG2 3.39Å; D537-V541 PolarHBondContact O-N 2.9Å; D537-R571 IonicContact OD1-CZ 3.12Å; D537-R571 IonicContact OD1-NE 4Å; D537-R571 IonicContact OD1-NH2 3.1Å; D537-R571 IonicContact OD2-CZ 3.73Å; D537-R571 VanDerWaalsContact OD2-CZ 3.25Å; D537-R571 IonicContact OD2-NE 3.84Å; D537-R571 PolarHBondContact OD2-NE 3.3Å; D537-R571 IonicContact OD2-NH2 2.8Å; D537-R571 PolarHBondContact OD2-NH2 2.96Å
538M88.9Confident88.8Confident3 Ų334.3 Ų34.32%0.01517%0.168CC..Hα-helixtrans-60.9-51.8171.9-59.2177.9-177.600111.7V449 P451 V506 L532 D533 N534 L535 R540 V541 L542 T546V449-M538 VanDerWaalsContact C-CE 3.42Å; V449-M538 HydrophobicContact CB-CE 3.86Å; V449-M538 HydrophobicContact CG1-CE 3.77Å; V449-M538 HydrophobicContact CG1-SD 4.3Å; V449-M538 WeakPolarHBondContact O-CE 3.13Å; P451-M538 HydrophobicContact CB-CG 4.25Å; P451-M538 HydrophobicContact CG-CG 4.07Å; V506-M538 HydrophobicContact CG2-CB 4.01Å; V506-M538 HydrophobicContact CG2-CG 3.95Å; V506-M538 HydrophobicContact CG2-SD 3.65Å; L532-M538 HydrophobicContact CB-CE 4.28Å; D533-M538 WeakPolarHBondContact O-CE 3.31Å; N534-M538 PolarHBondContact O-N 3.42Å; L535-M538 HydrophobicContact CD1-SD 4.05Å; L535-M538 WeakPolarHBondContact O-CB 3.45Å; L535-M538 PolarHBondContact O-N 3.09Å; L535-M538 VanDerWaalsContact O-N 3.14Å; M538-R540 PolarHBondContact O-N 3.39Å; M538-V541 PolarHBondContact O-N 3.48Å; M538-V541 VanDerWaalsContact O-N 3.16Å; M538-L542 CarbonylContact O-C 3.54Å; M538-L542 PolarHBondContact O-N 2.8Å; M538-T546 HydrophobicContact CB-CG2 4.11Å; M538-T546 PolarHBondContact O-OG1 3.3Å
539V85.9Confident88.8Confident27 Ų2730.3 Ų30.316%0.16415%0.151CC..Hα-helixtrans-62.9-31.3178.81750000111.7L535 P543 T546 L577L535-V539 HydrophobicContact CD1-CG2 4.4Å; L535-V539 PolarHBondContact O-N 3.01Å; V539-P543 VanDerWaalsContact O-CA 3.27Å; V539-P543 WeakPolarHBondContact O-CA 3.43Å; V539-P543 VanDerWaalsContact O-CB 3.28Å; V539-P543 WeakPolarHBondContact O-CB 3.29Å; V539-P543 WeakPolarHBondContact O-CD 3.05Å; V539-T546 HydrophobicContact CG2-CG2 3.6Å; V539-L577 HydrophobicContact CG2-CD1 4.18Å; V539-L577 HydrophobicContact CG2-CD2 3.81Å
540R77.6Confident88.7Confident151 Ų15130 Ų3057%0.5715%0.148SC*.Hα-helixtrans-69.2-40.8174.3-172.6-177.669.1-128.5-12.6112.6N536 D537 M538N536-R540 WeakPolarHBondContact O-CB 3.18Å; N536-R540 PolarHBondContact O-N 2.8Å; D537-R540 PolarHBondContact O-N 2.77Å; D537-R540 IonicContact OD1-CZ 3.59Å; D537-R540 IonicContact OD1-NH1 2.74Å; D537-R540 PolarHBondContact OD1-NH1 2.79Å; D537-R540 IonicContact OD1-NH2 2.77Å; D537-R540 PolarHBondContact OD1-NH2 2.99Å; M538-R540 PolarHBondContact O-N 3.39Å
541V74.7Confident88.4Confident63 Ų6335.3 Ų35.338%0.38217%0.173SC..Hα-helixtrans-85.5-43.1-173.9-179.40000111.8D537 M538D537-V541 VanDerWaalsContact O-CG2 3.28Å; D537-V541 WeakPolarHBondContact O-CG2 3.39Å; D537-V541 PolarHBondContact O-N 2.9Å; M538-V541 PolarHBondContact O-N 3.48Å; M538-V541 VanDerWaalsContact O-N 3.16Å
542L79.9Confident88.1Confident29 Ų2938.6 Ų38.615%0.15219%0.185CC..SBendtrans-132.666.7-175.8-67172.1000110.4V506 D507 M538 N544 D545 T546V506-L542 HydrophobicContact CB-CD1 4.16Å; D507-L542 HydrophobicContact CB-CD1 3.92Å; M538-L542 CarbonylContact O-C 3.54Å; M538-L542 PolarHBondContact O-N 2.8Å; L542-N544 PolarHBondContact O-N 3.49Å; L542-D545 HydrophobicContact CB-CB 4.43Å; L542-T546 VanDerWaalsContact O-CB 3.28Å; L542-T546 WeakPolarHBondContact O-CB 3.42Å; L542-T546 PolarHBondContact O-N 2.74Å; L542-T546 PolarHBondContact O-OG1 3.22Å
543P80.8Confident87.8Confident38 Ų3838.5 Ų38.525%0.24719%0.185CC..Hα-helixtrans-58-54.3-172.618.9-30.4000112.8V539 D545 T546 M547V539-P543 VanDerWaalsContact O-CA 3.27Å; V539-P543 WeakPolarHBondContact O-CA 3.43Å; V539-P543 VanDerWaalsContact O-CB 3.28Å; V539-P543 WeakPolarHBondContact O-CB 3.29Å; V539-P543 WeakPolarHBondContact O-CD 3.05Å; P543-D545 PolarHBondContact O-N 2.83Å; P543-T546 PolarHBondContact O-N 2.87Å; P543-M547 WeakPolarHBondContact O-CG 3.47Å; P543-M547 PolarHBondContact O-N 3.43Å
544N79.3Confident87.6Confident71 Ų7141.7 Ų41.738%0.3821%0.205SC..Hα-helixtrans-63.5-42.5-175.1-68.6-32.1000112.3L542 M547 K548L542-N544 PolarHBondContact O-N 3.49Å; N544-M547 PolarHBondContact O-N 3.48Å; N544-K548 WeakPolarHBondContact O-CG 3.37Å; N544-K548 PolarHBondContact O-N 2.7Å
545D86.1Confident87.4Confident45 Ų4547 Ų4724%0.24123%0.23CC..Hα-helixtrans-75.2-31.6-179.4-73.1-7.6000111.2V506 L510 L542 P543 K548 L549V506-D545 HydrophobicContact CG1-CB 4.22Å; L510-D545 HydrophobicContact CD1-CB 3.83Å; L510-D545 WeakPolarHBondContact CD1-O 3.44Å; L542-D545 HydrophobicContact CB-CB 4.43Å; P543-D545 PolarHBondContact O-N 2.83Å; D545-K548 PolarHBondContact O-N 3.3Å; D545-K548 IonicContact OD1-NZ 2.93Å; D545-K548 PolarHBondContact OD1-NZ 3.22Å; D545-L549 WeakPolarHBondContact O-CB 3.36Å; D545-L549 PolarHBondContact O-N 3.09Å
546T90.6Very high87Confident1 Ų148.7 Ų48.71%0.00624%0.238CC..Hα-helixtrans-64.2-43.1170.4-53.10000111.1L535 M538 V539 L542 P543 L549 L550L535-T546 HydrophobicContact CD1-CG2 3.9Å; M538-T546 HydrophobicContact CB-CG2 4.11Å; M538-T546 PolarHBondContact O-OG1 3.3Å; V539-T546 HydrophobicContact CG2-CG2 3.6Å; L542-T546 VanDerWaalsContact O-CB 3.28Å; L542-T546 WeakPolarHBondContact O-CB 3.42Å; L542-T546 PolarHBondContact O-N 2.74Å; L542-T546 PolarHBondContact O-OG1 3.22Å; P543-T546 PolarHBondContact O-N 2.87Å; T546-L549 PolarHBondContact O-N 2.55Å; T546-L550 HydrophobicContact CG2-CD1 4.49Å; T546-L550 WeakPolarHBondContact O-CG 3.32Å; T546-L550 PolarHBondContact O-N 2.91Å
547M89.8Confident87.1Confident48 Ų4848 Ų4824%0.23623%0.234CC..Hα-helixtrans-64-43.2177-64.6-45.4-56.900112.6P543 N544 L549 L550 Q551 L577 H581P543-M547 WeakPolarHBondContact O-CG 3.47Å; P543-M547 PolarHBondContact O-N 3.43Å; N544-M547 PolarHBondContact O-N 3.48Å; M547-L549 VanDerWaalsContact C-N 3.33Å; M547-L549 PolarHBondContact O-N 3.48Å; M547-L550 PolarHBondContact O-N 3.1Å; M547-L550 HydrophobicContact SD-CD1 4.47Å; M547-Q551 WeakPolarHBondContact O-CG 3.3Å; M547-Q551 PolarHBondContact O-N 3.15Å; M547-Q551 VanDerWaalsContact O-N 3.07Å; M547-L577 HydrophobicContact CE-CD1 4.48Å; M547-L577 HydrophobicContact SD-CD1 3.98Å; M547-H581 HydrophobicContact CE-CB 4.36Å; M547-H581 VanDerWaalsContact CE-CD2 3.44Å; M547-H581 WeakPolarHBondContact CE-CD2 3.35Å; M547-H581 WeakPolarHBondContact CE-NE2 3.33Å
548K91Very high87.2Confident102 Ų10252.3 Ų52.344%0.44325%0.254SS..Hα-helixtrans-59.6-42.8173.3-70.5170.8-161159.90111.7L510 N544 D545 Q551 R552L510-K548 HydrophobicContact CD1-CB 3.94Å; L510-K548 HydrophobicContact CD2-CB 4.43Å; N544-K548 WeakPolarHBondContact O-CG 3.37Å; N544-K548 PolarHBondContact O-N 2.7Å; D545-K548 PolarHBondContact O-N 3.3Å; D545-K548 IonicContact OD1-NZ 2.93Å; D545-K548 PolarHBondContact OD1-NZ 3.22Å; K548-Q551 PolarHBondContact O-N 2.86Å; K548-R552 WeakPolarHBondContact O-CB 3.17Å; K548-R552 WeakPolarHBondContact O-CG 3.42Å; K548-R552 PolarHBondContact O-N 2.92Å
549L93.5Very high87.2Confident2 Ų252.9 Ų52.91%0.0126%0.257CS..Hα-helixtrans-59.6-49.2177.3178.461.2000110.7V506 L509 L510 L513 D545 T546 M547 Q551 R552 L553V506-L549 HydrophobicContact CB-CD2 4.35Å; V506-L549 HydrophobicContact CG1-CB 4.22Å; V506-L549 HydrophobicContact CG1-CD2 4Å; V506-L549 HydrophobicContact CG2-CD2 4.17Å; L509-L549 HydrophobicContact CD2-CD1 3.75Å; L509-L549 HydrophobicContact CD2-CD2 4.08Å; L509-L549 HydrophobicContact CG-CD1 4.05Å; L510-L549 HydrophobicContact CD1-CB 4.35Å; L510-L549 HydrophobicContact CD2-CB 4.18Å; L510-L549 HydrophobicContact CD2-CD1 4.27Å; L510-L549 HydrophobicContact CG-CB 4.06Å; L510-L549 HydrophobicContact CG-CD1 4.37Å; L513-L549 HydrophobicContact CD1-CD1 3.74Å; D545-L549 WeakPolarHBondContact O-CB 3.36Å; D545-L549 PolarHBondContact O-N 3.09Å; T546-L549 PolarHBondContact O-N 2.55Å; M547-L549 VanDerWaalsContact C-N 3.33Å; M547-L549 PolarHBondContact O-N 3.48Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 3.28Å; L549-R552 PolarHBondContact O-N 3.13Å; L549-L553 HydrophobicContact CD1-CD2 4.23Å; L549-L553 HydrophobicContact CD1-CG 4.42Å; L549-L553 HydrophobicContact CG-CG 4.48Å; L549-L553 WeakPolarHBondContact O-CG 3.48Å; L549-L553 PolarHBondContact O-N 3.22Å
550L93.5Very high86.9Confident6 Ų654.7 Ų54.73%0.03127%0.268CS..Hα-helixtrans-60.6-34.4179.2-66.4178.9000113.2L532 T546 M547 L553 P554 L577 H581 I582L532-L550 HydrophobicContact CD1-CD2 3.8Å; T546-L550 HydrophobicContact CG2-CD1 4.49Å; T546-L550 WeakPolarHBondContact O-CG 3.32Å; T546-L550 PolarHBondContact O-N 2.91Å; M547-L550 PolarHBondContact O-N 3.1Å; M547-L550 HydrophobicContact SD-CD1 4.47Å; L550-L553 HydrophobicContact CD2-CD1 4.16Å; L550-P554 VanDerWaalsContact O-CD 3.22Å; L550-P554 WeakPolarHBondContact O-CD 3.28Å; L550-L577 HydrophobicContact CD1-CD1 3.71Å; L550-H581 HydrophobicContact CD1-CB 4.14Å; L550-I582 HydrophobicContact CD1-CD1 3.78Å; L550-I582 HydrophobicContact CD2-CD1 3.51Å; L550-I582 HydrophobicContact CG-CD1 4.29Å
551Q91.8Very high86.6Confident112 Ų11250.2 Ų50.252%0.52325%0.254SS..Hα-helixtrans-68.3-39.2172.7-70.9169.4-21.600112.3M547 K548 L549 P554M547-Q551 WeakPolarHBondContact O-CG 3.3Å; M547-Q551 PolarHBondContact O-N 3.15Å; M547-Q551 VanDerWaalsContact O-N 3.07Å; K548-Q551 PolarHBondContact O-N 2.86Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 3.28Å; Q551-P554 WeakPolarHBondContact O-CD 3.43Å; Q551-P554 WeakPolarHBondContact O-CG 3.48Å
552R90.6Very high86.7Confident70 Ų7053.9 Ų53.926%0.26427%0.271SS..Hα-helixtrans-77.4-24.4-177.5-65.3-78-91143.1-0.5113.8L510 N514 K548 L549 E555 M556L510-R552 HydrophobicContact CD2-CG 4.4Å; N514-R552 PolarHBondContact OD1-NH2 3.32Å; K548-R552 WeakPolarHBondContact O-CB 3.17Å; K548-R552 WeakPolarHBondContact O-CG 3.42Å; K548-R552 PolarHBondContact O-N 2.92Å; L549-R552 PolarHBondContact O-N 3.13Å; R552-E555 VanDerWaalsContact CD-OE2 3.25Å; R552-E555 WeakPolarHBondContact CD-OE2 3.37Å; R552-E555 IonicContact CZ-OE2 2.97Å; R552-E555 IonicContact NE-OE2 3.78Å; R552-E555 IonicContact NH1-OE2 3.59Å; R552-E555 PolarHBondContact NH1-OE2 3.31Å; R552-E555 WeakPolarHBondContact O-CB 3.35Å; R552-E555 PolarHBondContact O-N 2.69Å; R552-M556 PolarHBondContact O-N 3.38Å
553L91.7Very high87.1Confident0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-55.2-54.3178.4-74.8-177.7000113.8I530 L532 L549 L550 E555 M556 F557 L559I530-L553 HydrophobicContact CD1-CD2 3.87Å; L532-L553 HydrophobicContact CD1-CD1 4.27Å; L549-L553 HydrophobicContact CD1-CD2 4.23Å; L549-L553 HydrophobicContact CD1-CG 4.42Å; L549-L553 HydrophobicContact CG-CG 4.48Å; L549-L553 WeakPolarHBondContact O-CG 3.48Å; L549-L553 PolarHBondContact O-N 3.22Å; L550-L553 HydrophobicContact CD2-CD1 4.16Å; L553-E555 VanDerWaalsContact C-N 3.29Å; L553-E555 PolarHBondContact O-N 3.19Å; L553-M556 PolarHBondContact O-N 3.03Å; L553-F557 HydrophobicContact CD2-CD2 3.85Å; L553-F557 HydrophobicContact CD2-CE2 3.9Å; L553-F557 WeakPolarHBondContact O-CD2 3.09Å; L553-F557 PolarHBondContact O-N 2.97Å; L553-L559 HydrophobicContact CB-CD1 4.27Å
554P90.7Very high87.6Confident67 Ų6755.5 Ų55.544%0.43527%0.274SS..Hα-helixtrans-68.2-22.1178.926.8-36.2000114.4L550 Q551 M556 L585L550-P554 VanDerWaalsContact O-CD 3.22Å; L550-P554 WeakPolarHBondContact O-CD 3.28Å; Q551-P554 WeakPolarHBondContact O-CD 3.43Å; Q551-P554 WeakPolarHBondContact O-CG 3.48Å; P554-M556 VanDerWaalsContact C-N 3.28Å; P554-L585 HydrophobicContact CB-CD2 3.87Å; P554-L585 HydrophobicContact CG-CD2 3.83Å
555E89.4Confident88.3Confident128 Ų12852.5 Ų52.560%0.59826%0.257SS*.Hα-helixtrans-67.4-31.9173.7-61.6174.6-165.800112R552 L553R552-E555 VanDerWaalsContact CD-OE2 3.25Å; R552-E555 WeakPolarHBondContact CD-OE2 3.37Å; R552-E555 IonicContact CZ-OE2 2.97Å; R552-E555 IonicContact NE-OE2 3.78Å; R552-E555 IonicContact NH1-OE2 3.59Å; R552-E555 PolarHBondContact NH1-OE2 3.31Å; R552-E555 WeakPolarHBondContact O-CB 3.35Å; R552-E555 PolarHBondContact O-N 2.69Å; L553-E555 VanDerWaalsContact C-N 3.29Å; L553-E555 PolarHBondContact O-N 3.19Å
556M85.8Confident88.8Confident36 Ų3650.4 Ų50.418%0.17725%0.246CC..Hα-helixtrans-106.3-30.2-171.2-62.1-172.170.700113.5L513 A524 R552 L553 P554L513-M556 HydrophobicContact CB-CE 4.4Å; L513-M556 HydrophobicContact CB-SD 3.91Å; L513-M556 HydrophobicContact CD1-SD 4.09Å; L513-M556 HydrophobicContact CD2-CE 3.8Å; L513-M556 HydrophobicContact CD2-SD 3.78Å; L513-M556 HydrophobicContact CG-SD 4.11Å; A524-M556 VanDerWaalsContact CB-O 3.23Å; A524-M556 WeakPolarHBondContact CB-O 3.47Å; R552-M556 PolarHBondContact O-N 3.38Å; L553-M556 PolarHBondContact O-N 3.03Å; P554-M556 VanDerWaalsContact C-N 3.28Å
557F90.4Very high89.1Confident7 Ų750.3 Ų50.33%0.03125%0.246CC..  trans-122.8135.5-170.9-55-73000112.5I447 L513 F522 A524 V527 I530 L553 L559I447-F557 HydrophobicContact CD1-CE1 4.32Å; I447-F557 HydrophobicContact CD1-CZ 3.85Å; L513-F557 HydrophobicContact CD2-CE2 4.45Å; L513-F557 HydrophobicContact CD2-CZ 4.32Å; F522-F557 HydrophobicContact CE2-CE1 4.13Å; F522-F557 HydrophobicContact CE2-CZ 4.02Å; F522-F557 HydrophobicContact CZ-CZ 4.36Å; A524-F557 HydrophobicContact CB-CD1 3.98Å; A524-F557 HydrophobicContact CB-CE1 3.81Å; V527-F557 HydrophobicContact CB-CD1 4.07Å; V527-F557 HydrophobicContact CB-CE1 3.87Å; V527-F557 HydrophobicContact CG1-CD1 4.36Å; V527-F557 HydrophobicContact CG1-CE1 4.18Å; V527-F557 HydrophobicContact CG2-CD1 4.44Å; V527-F557 HydrophobicContact CG2-CE1 3.75Å; I530-F557 HydrophobicContact CD1-CB 4.23Å; I530-F557 HydrophobicContact CD1-CD1 4.08Å; I530-F557 HydrophobicContact CD1-CD2 3.44Å; I530-F557 VanDerWaalsContact CD1-CD2 3.44Å; I530-F557 HydrophobicContact CD1-CE1 4.32Å; I530-F557 HydrophobicContact CD1-CE2 3.72Å; I530-F557 HydrophobicContact CD1-CG 3.64Å; I530-F557 HydrophobicContact CD1-CZ 4.15Å; L553-F557 HydrophobicContact CD2-CD2 3.85Å; L553-F557 HydrophobicContact CD2-CE2 3.9Å; L553-F557 WeakPolarHBondContact O-CD2 3.09Å; L553-F557 PolarHBondContact O-N 2.97Å; F557-L559 HydrophobicContact CB-CD2 3.88Å; F557-L559 HydrophobicContact CB-CG 4.21Å; F557-L559 PolarHBondContact O-N 3.16Å; F557-L559 VanDerWaalsContact O-N 3.07Å
558Q89.2Confident89.5Confident93 Ų9348 Ų4844%0.43523%0.234SC..  trans-80.187.5173.3-69.8177.98.600109.8T560 K563 C564Q558-T560 VanDerWaalsContact C-N 3.27Å; Q558-T560 PolarHBondContact O-N 2.83Å; Q558-K563 HydrophobicContact CB-CB 3.99Å; Q558-K563 HydrophobicContact CB-CG 4.27Å; Q558-K563 WeakPolarHBondContact O-CB 3.4Å; Q558-C564 WeakPolarHBondContact O-CB 3.08Å; Q558-C564 PolarHBondContact O-N 3.14Å; Q558-C564 VanDerWaalsContact O-N 3.09Å
559L88.6Confident89.7Confident15 Ų1543.2 Ų43.28%0.07921%0.213CC..  trans-79.567.9-174.8-59.1177.3000112.4I530 L553 F557 C564 L566 L585I530-L559 HydrophobicContact CD1-CD2 4.41Å; L553-L559 HydrophobicContact CB-CD1 4.27Å; F557-L559 HydrophobicContact CB-CD2 3.88Å; F557-L559 HydrophobicContact CB-CG 4.21Å; F557-L559 PolarHBondContact O-N 3.16Å; F557-L559 VanDerWaalsContact O-N 3.07Å; L559-C564 WeakPolarHBondContact CA-O 3.34Å; L559-C564 HydrophobicContact CD2-CB 4.06Å; L559-L566 HydrophobicContact CD1-CD2 4.37Å; L559-L585 HydrophobicContact CD1-CB 3.85Å; L559-L585 HydrophobicContact CD1-CD1 4.19Å; L559-L585 HydrophobicContact CD1-CD2 4.21Å; L559-L585 HydrophobicContact CD1-CG 4.31Å
560T81Confident89.7Confident64 Ų6443.1 Ų43.139%0.39321%0.213SC..SBendtrans-130.6160.1176.769.20000111.3Q558 N562 K563 C564Q558-T560 VanDerWaalsContact C-N 3.27Å; Q558-T560 PolarHBondContact O-N 2.83Å; T560-N562 PolarHBondContact O-N 3.24Å; T560-K563 PolarHBondContact O-N 2.86Å; T560-K563 WeakPolarHBondContact OG1-CB 3.42Å; T560-K563 WeakPolarHBondContact OG1-CG 3.46Å; T560-C564 PolarHBondContact O-N 3.09Å
561Q71.4Confident89.6Confident57 Ų5746 Ų4627%0.26622%0.223SC..THydrogen-bonded Turntrans-51.2137.9168.4-169.7-179.1-30.800110K406 K563 D588K406-Q561 HydrophobicContact CG-CG 4.26Å; Q561-K563 PolarHBondContact O-N 3.38Å; Q561-D588 WeakPolarHBondContact CB-OD2 3.26Å
562N76.7Confident89.6Confident140 Ų14042.5 Ų42.575%0.74921%0.208SC*.THydrogen-bonded Turntrans672.7-175.8-46.4-31.1000117T560T560-N562 PolarHBondContact O-N 3.24Å
563K86.8Confident89.7Confident99 Ų9939.2 Ų39.243%0.4320%0.195SC..THydrogen-bonded Turntrans-110.9-79.3173.8-70.1-66.7-168.31690111.4Q558 T560 Q561Q558-K563 HydrophobicContact CB-CB 3.99Å; Q558-K563 HydrophobicContact CB-CG 4.27Å; Q558-K563 WeakPolarHBondContact O-CB 3.4Å; T560-K563 PolarHBondContact O-N 2.86Å; T560-K563 WeakPolarHBondContact OG1-CB 3.42Å; T560-K563 WeakPolarHBondContact OG1-CG 3.46Å; Q561-K563 PolarHBondContact O-N 3.38Å
564C92.1Very high89.5Confident3 Ų340.3 Ų40.32%0.0220%0.201CC..  trans-132.3113.3173.6-178.80000109.7K528 Q558 L559 T560K528-C564 WeakPolarHBondContact O-CA 3.31Å; Q558-C564 WeakPolarHBondContact O-CB 3.08Å; Q558-C564 PolarHBondContact O-N 3.14Å; Q558-C564 VanDerWaalsContact O-N 3.09Å; L559-C564 WeakPolarHBondContact CA-O 3.34Å; L559-C564 HydrophobicContact CD2-CB 4.06Å; T560-C564 PolarHBondContact O-N 3.09Å
565Q93.7Very high89.3Confident8 Ų838.3 Ų38.34%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-72.1137.8175.7-172.5175.813.500110.1V402 G405 K406 K528 C529 I530 L567V402-Q565 PolarHBondContact O-NE2 2.93Å; V402-Q565 VanDerWaalsContact O-NE2 3.1Å; G405-Q565 VanDerWaalsContact C-CD 3.48Å; G405-Q565 VanDerWaalsContact C-NE2 3.31Å; K406-Q565 PolarHBondContact O-NE2 2.74Å; K528-Q565 PolarHBondContact O-N 3.49Å; C529-Q565 CarbonylContact C-O 3.58Å; C529-Q565 WeakPolarHBondContact CA-O 3.06Å; I530-Q565 PolarHBondContact N-O 2.81Å; Q565-L567 HydrophobicContact CG-CD2 3.93Å; Q565-L567 HydrophobicContact CG-CG 4.35Å
566L96.2Very high89.1Confident0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-110.1127.5172.9-176.156.9000109.7S407 V408 I530 L532 L559 V568 L585 M586S407-L566 WeakPolarHBondContact CA-O 3.42Å; S407-L566 WeakPolarHBondContact CB-O 3.2Å; S407-L566 PolarHBondContact OG-N 3.32Å; S407-L566 VanDerWaalsContact OG-N 3.14Å; S407-L566 PolarHBondContact OG-O 3.5Å; V408-L566 PolarHBondContact N-O 2.94Å; I530-L566 HydrophobicContact CB-CD1 4.09Å; I530-L566 HydrophobicContact CG2-CD1 4.03Å; I530-L566 WeakPolarHBondContact O-CA 3.27Å; L532-L566 HydrophobicContact CD1-CD1 4.24Å; L532-L566 HydrophobicContact CG-CD1 4.26Å; L559-L566 HydrophobicContact CD1-CD2 4.37Å; L566-V568 HydrophobicContact CD1-CG2 4.22Å; L566-V568 HydrophobicContact CD2-CG2 4.35Å; L566-V568 HydrophobicContact CG-CG2 3.91Å; L566-L585 HydrophobicContact CD2-CB 3.75Å; L566-L585 HydrophobicContact CD2-CD1 4.26Å; L566-M586 HydrophobicContact CB-CE 4.44Å; L566-M586 HydrophobicContact CB-CG 4.23Å; L566-M586 HydrophobicContact CD2-CG 3.72Å; L566-M586 HydrophobicContact CD2-SD 4.21Å; L566-M586 HydrophobicContact CG-CE 4.33Å; L566-M586 HydrophobicContact CG-CG 4.18Å; L566-M586 HydrophobicContact CG-SD 4.41Å; L566-M586 WeakPolarHBondContact O-CE 3.44Å
567L97.4Very high89.2Confident0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-119.5122.9-179.5-53.6171.2000108V402 V408 Y422 V426 C529 I530 A531 L532 Q565V402-L567 HydrophobicContact CG1-CD2 4.02Å; V402-L567 HydrophobicContact CG2-CD2 4.17Å; V408-L567 HydrophobicContact CG1-CD2 3.76Å; Y422-L567 HydrophobicContact CD1-CB 4.4Å; Y422-L567 HydrophobicContact CD2-CB 4.25Å; Y422-L567 HydrophobicContact CD2-CD1 3.74Å; Y422-L567 HydrophobicContact CE2-CB 4.49Å; Y422-L567 HydrophobicContact CG-CB 4.2Å; Y422-L567 HydrophobicContact CG-CD1 3.91Å; Y422-L567 HydrophobicContact CG-CG 4.45Å; V426-L567 HydrophobicContact CG2-CD1 3.34Å; C529-L567 WeakPolarHBondContact SG-CD1 3.28Å; I530-L567 PolarHBondContact O-N 3.09Å; A531-L567 CarbonylContact C-O 3.57Å; A531-L567 WeakPolarHBondContact CA-O 3.47Å; A531-L567 HydrophobicContact CB-CB 4.18Å; A531-L567 HydrophobicContact CB-CD1 4.35Å; L532-L567 PolarHBondContact N-O 3.15Å; Q565-L567 HydrophobicContact CG-CD2 3.93Å; Q565-L567 HydrophobicContact CG-CG 4.35Å
568V97.2Very high89.3Confident0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-129.5137.6-176-172.80000110V408 L409 V410 L532 L535 L566 I582 M586V408-V568 PolarHBondContact O-N 2.98Å; L409-V568 WeakPolarHBondContact CA-O 3.34Å; L409-V568 HydrophobicContact CD1-CB 3.71Å; L409-V568 HydrophobicContact CD1-CG1 3.59Å; V410-V568 PolarHBondContact N-O 2.97Å; L532-V568 HydrophobicContact CB-CG1 4.5Å; L532-V568 HydrophobicContact CB-CG2 4.44Å; L532-V568 HydrophobicContact CD1-CG2 4.4Å; L535-V568 HydrophobicContact CB-CG1 4.11Å; L535-V568 HydrophobicContact CD2-CG1 3.83Å; L566-V568 HydrophobicContact CD1-CG2 4.22Å; L566-V568 HydrophobicContact CD2-CG2 4.35Å; L566-V568 HydrophobicContact CG-CG2 3.91Å; V568-I582 HydrophobicContact CB-CG2 4.49Å; V568-I582 HydrophobicContact CG1-CG2 4.35Å; V568-I582 HydrophobicContact CG2-CG2 4.03Å; V568-M586 HydrophobicContact CB-CE 4.45Å; V568-M586 HydrophobicContact CG2-CE 3.95Å; V568-M586 HydrophobicContact CG2-SD 3.99Å
569S96.4Very high89.2Confident0 Ų029.5 Ų29.50%015%0.149CC..EExtended strand (participates in β ladder)trans-129.7139.3178139.90000109.9V410 K418 L532 D533 N534 L535V410-S569 CarbonylContact O-C 3.59Å; V410-S569 WeakPolarHBondContact O-CA 3.28Å; K418-S569 WeakPolarHBondContact CE-OG 3.41Å; L532-S569 PolarHBondContact O-N 3.06Å; D533-S569 WeakPolarHBondContact OD1-CB 3.27Å; D533-S569 PolarHBondContact OD1-OG 3.24Å; N534-S569 CarbonylContact C-O 3.54Å; N534-S569 VanDerWaalsContact CA-O 3.23Å; N534-S569 WeakPolarHBondContact CA-O 3.48Å; N534-S569 PolarHBondContact N-O 3.43Å; N534-S569 VanDerWaalsContact N-O 3.09Å; N534-S569 PolarHBondContact N-OG 3.36Å; L535-S569 PolarHBondContact N-O 3.46Å
570G94.3Very high89.1Confident0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-144.8161.6-17600000113V410 G412 K418 N536V410-G570 PolarHBondContact O-N 2.68Å; G412-G570 PolarHBondContact N-O 2.99Å; K418-G570 WeakPolarHBondContact CD-O 3.42Å; K418-G570 WeakPolarHBondContact CE-O 3.34Å; K418-G570 PolarHBondContact NZ-O 3.36Å; K418-G570 VanDerWaalsContact NZ-O 3.15Å; N536-G570 WeakPolarHBondContact OD1-CA 3.28Å
571R90.5Very high89.5Confident67 Ų6734.4 Ų34.425%0.25317%0.167SC..SBendtrans-94.4-33.7169.2-59-170.5-161.6-162.17.7112.7G412 N536 D537G412-R571 WeakPolarHBondContact O-CA 3.23Å; N536-R571 PolarHBondContact OD1-N 3.06Å; D537-R571 IonicContact OD1-CZ 3.12Å; D537-R571 IonicContact OD1-NE 4Å; D537-R571 IonicContact OD1-NH2 3.1Å; D537-R571 IonicContact OD2-CZ 3.73Å; D537-R571 VanDerWaalsContact OD2-CZ 3.25Å; D537-R571 IonicContact OD2-NE 3.84Å; D537-R571 PolarHBondContact OD2-NE 3.3Å; D537-R571 IonicContact OD2-NH2 2.8Å; D537-R571 PolarHBondContact OD2-NH2 2.96Å
572I91.4Very high90.6Very high38 Ų3831.7 Ų31.720%0.19515%0.154CC..SBendtrans-134.9137.4-165.5-59167.9000108.7N536 H574 E598 K758 H759N536-I572 PolarHBondContact ND2-O 3.22Å; N536-I572 PolarHBondContact OD1-N 3.3Å; N536-I572 VanDerWaalsContact OD1-N 3.13Å; N536-I572 PolarHBondContact OD1-O 2.94Å; I572-H574 PolarHBondContact O-N 2.65Å; I572-E598 VanDerWaalsContact CA-OE2 3.28Å; I572-E598 WeakPolarHBondContact CA-OE2 3.5Å; I572-K758 HydrophobicContact CD1-CB 4.43Å; I572-K758 HydrophobicContact CD1-CD 3.95Å; I572-K758 HydrophobicContact CD1-CG 4.33Å; I572-H759 WeakPolarHBondContact CG2-CE1 3.21Å
573W92.1Very high91.2Very high1 Ų125.8 Ų25.80%0.00412%0.123CC..  trans-77.581.7170.6-173.3-95.5000110.8L409 V411 T575 M578 V579 L583 V591 F593 E598 Y602 H759L409-W573 HydrophobicContact CD2-CH2 4.15Å; L409-W573 HydrophobicContact CD2-CZ3 3.66Å; V411-W573 HydrophobicContact CG2-CE3 4.07Å; W573-T575 VanDerWaalsContact CD1-OG1 3.27Å; W573-T575 PolarHBondContact NE1-OG1 3.49Å; W573-T575 PolarHBondContact O-N 3.29Å; W573-T575 VanDerWaalsContact O-N 3.13Å; W573-M578 HydrophobicContact CD2-CB 4.32Å; W573-M578 HydrophobicContact CD2-CG 4.14Å; W573-M578 HydrophobicContact CE3-CB 4.27Å; W573-M578 HydrophobicContact CE3-CG 3.95Å; W573-M578 HydrophobicContact CH2-CB 3.57Å; W573-M578 HydrophobicContact CH2-CG 4.14Å; W573-M578 HydrophobicContact CZ2-CB 3.58Å; W573-M578 HydrophobicContact CZ2-CG 4.29Å; W573-M578 HydrophobicContact CZ3-CB 3.94Å; W573-M578 HydrophobicContact CZ3-CG 3.97Å; W573-V579 HydrophobicContact CZ2-CG2 4.18Å; W573-L583 HydrophobicContact CH2-CD1 4.12Å; W573-V591 HydrophobicContact CZ3-CG1 4.04Å; W573-F593 HydrophobicContact CB-CE1 4.14Å; W573-F593 AromaticContact CD2-CE1 3.86Å; W573-F593 HydrophobicContact CD2-CE1 3.86Å; W573-F593 AromaticContact CD2-CZ 3.89Å; W573-F593 HydrophobicContact CD2-CZ 3.89Å; W573-F593 AromaticContact CE3-CE1 3.43Å; W573-F593 HydrophobicContact CE3-CE1 3.43Å; W573-F593 VanDerWaalsContact CE3-CE1 3.43Å; W573-F593 AromaticContact CE3-CZ 3.37Å; W573-F593 HydrophobicContact CE3-CZ 3.37Å; W573-F593 HydrophobicContact CG-CE1 4.14Å; W573-F593 HydrophobicContact CH2-CZ 4.4Å; W573-F593 HydrophobicContact CZ3-CE1 4.15Å; W573-F593 AromaticContact CZ3-CZ 3.65Å; W573-F593 HydrophobicContact CZ3-CZ 3.65Å; W573-E598 PolarHBondContact N-OE2 2.98Å; W573-Y602 HydrophobicContact CD2-CD2 4.34Å; W573-Y602 AromaticContact CE2-CD2 3.69Å; W573-Y602 AromaticContact CH2-CD2 3.87Å; W573-Y602 HydrophobicContact CH2-CD2 3.87Å; W573-Y602 HydrophobicContact CH2-CE2 4.22Å; W573-Y602 AromaticContact CZ2-CD2 3.46Å; W573-Y602 HydrophobicContact CZ2-CD2 3.46Å; W573-Y602 VanDerWaalsContact CZ2-CD2 3.46Å; W573-Y602 HydrophobicContact CZ2-CE2 4.07Å; W573-Y602 HydrophobicContact CZ2-CG 4.46Å; W573-Y602 HydrophobicContact CZ3-CD2 4.45Å; W573-H759 PolarHBondContact O-CE1 3.02Å; W573-H759 PolarHBondContact O-ND1 2.93Å
574H88.1Confident91.4Very high24 Ų2425 Ų2511%0.11113%0.127CC..  trans-78.997.8171.4-177.6-97000109.9I572 D576 L577 M578 R1018I572-H574 PolarHBondContact O-N 2.65Å; H574-D576 WeakPolarHBondContact NE2-CB 3.46Å; H574-D576 VanDerWaalsContact NE2-CG 3.35Å; H574-D576 IonicContact NE2-OD2 2.63Å; H574-D576 PolarHBondContact NE2-OD2 3.18Å; H574-D576 PolarHBondContact O-N 2.82Å; H574-L577 HydrophobicContact CB-CB 4.27Å; H574-L577 WeakPolarHBondContact CE1-CA 3.45Å; H574-L577 WeakPolarHBondContact CE1-CB 3.42Å; H574-L577 PolarHBondContact CE1-N 2.87Å; H574-L577 WeakPolarHBondContact ND1-CB 3.47Å; H574-L577 PolarHBondContact ND1-N 3.42Å; H574-L577 WeakPolarHBondContact O-CB 3.4Å; H574-L577 PolarHBondContact O-N 3.32Å; H574-L577 VanDerWaalsContact O-N 3.13Å; H574-M578 WeakPolarHBondContact O-CG 3.44Å; H574-M578 PolarHBondContact O-N 3.45Å; H574-R1018 PolarHBondContact NE2-NH2 2.72Å; H574-R1018 VanDerWaalsContact NE2-NH2 3.12Å
575T87.1Confident91.3Very high25 Ų2525.8 Ų25.815%0.15313%0.131CC..Hα-helixtrans-53.8-48.7-165.5-52.90000114.3V338 W573 L577 M578 V579V338-T575 HydrophobicContact CB-CG2 3.54Å; V338-T575 HydrophobicContact CG1-CG2 3.76Å; V338-T575 HydrophobicContact CG2-CG2 3.55Å; W573-T575 VanDerWaalsContact CD1-OG1 3.27Å; W573-T575 PolarHBondContact NE1-OG1 3.49Å; W573-T575 PolarHBondContact O-N 3.29Å; W573-T575 VanDerWaalsContact O-N 3.13Å; T575-L577 VanDerWaalsContact C-N 3.33Å; T575-L577 PolarHBondContact O-N 3.38Å; T575-M578 PolarHBondContact O-N 3.17Å; T575-V579 HydrophobicContact CG2-CG2 3.96Å; T575-V579 WeakPolarHBondContact O-CB 3.4Å; T575-V579 WeakPolarHBondContact O-CG2 3.2Å; T575-V579 PolarHBondContact O-N 3.39Å
576D84.9Confident91.2Very high46 Ų4625.5 Ų25.525%0.24613%0.13CC..Hα-helixtrans-61.1-43.8-178.9-38-39.7000111.6H574 Q580 K760H574-D576 WeakPolarHBondContact NE2-CB 3.46Å; H574-D576 VanDerWaalsContact NE2-CG 3.35Å; H574-D576 IonicContact NE2-OD2 2.63Å; H574-D576 PolarHBondContact NE2-OD2 3.18Å; H574-D576 PolarHBondContact O-N 2.82Å; D576-Q580 WeakPolarHBondContact O-CB 3.44Å; D576-Q580 WeakPolarHBondContact O-CG 3.36Å; D576-Q580 PolarHBondContact O-N 3.42Å; D576-K760 WeakPolarHBondContact OD2-CE 3.49Å; D576-K760 IonicContact OD2-NZ 3.44Å; D576-K760 PolarHBondContact OD2-NZ 3.22Å
577L88.7Confident90.4Very high5 Ų528.1 Ų28.13%0.02615%0.147CC..Hα-helixtrans-62.5-49.2179.7174.570.3000110.4L535 V539 M547 L550 H574 T575 H581 I582L535-L577 HydrophobicContact CD2-CD2 3.95Å; L535-L577 HydrophobicContact CD2-CG 4.31Å; L535-L577 HydrophobicContact CG-CD2 4.15Å; V539-L577 HydrophobicContact CG2-CD1 4.18Å; V539-L577 HydrophobicContact CG2-CD2 3.81Å; M547-L577 HydrophobicContact CE-CD1 4.48Å; M547-L577 HydrophobicContact SD-CD1 3.98Å; L550-L577 HydrophobicContact CD1-CD1 3.71Å; H574-L577 HydrophobicContact CB-CB 4.27Å; H574-L577 WeakPolarHBondContact CE1-CA 3.45Å; H574-L577 WeakPolarHBondContact CE1-CB 3.42Å; H574-L577 PolarHBondContact CE1-N 2.87Å; H574-L577 WeakPolarHBondContact ND1-CB 3.47Å; H574-L577 PolarHBondContact ND1-N 3.42Å; H574-L577 WeakPolarHBondContact O-CB 3.4Å; H574-L577 PolarHBondContact O-N 3.32Å; H574-L577 VanDerWaalsContact O-N 3.13Å; T575-L577 VanDerWaalsContact C-N 3.33Å; T575-L577 PolarHBondContact O-N 3.38Å; L577-H581 WeakPolarHBondContact O-CB 3.49Å; L577-H581 PolarHBondContact O-N 3.48Å; L577-H581 VanDerWaalsContact O-N 3.15Å; L577-I582 HydrophobicContact CG-CG1 4.45Å; L577-I582 PolarHBondContact O-N 3.39Å
578M90.8Very high89.8Confident0 Ų029.8 Ų29.80%016%0.156CC..Iπ-helixtrans-68.6-46.3-175.7-62.3-59.3174.300111.4L409 L535 W573 H574 T575 I582 L583L409-M578 HydrophobicContact CD1-SD 4.09Å; L409-M578 HydrophobicContact CD2-SD 4.1Å; L535-M578 HydrophobicContact CD2-CE 4.24Å; L535-M578 HydrophobicContact CD2-SD 4.43Å; W573-M578 HydrophobicContact CD2-CB 4.32Å; W573-M578 HydrophobicContact CD2-CG 4.14Å; W573-M578 HydrophobicContact CE3-CB 4.27Å; W573-M578 HydrophobicContact CE3-CG 3.95Å; W573-M578 HydrophobicContact CH2-CB 3.57Å; W573-M578 HydrophobicContact CH2-CG 4.14Å; W573-M578 HydrophobicContact CZ2-CB 3.58Å; W573-M578 HydrophobicContact CZ2-CG 4.29Å; W573-M578 HydrophobicContact CZ3-CB 3.94Å; W573-M578 HydrophobicContact CZ3-CG 3.97Å; H574-M578 WeakPolarHBondContact O-CG 3.44Å; H574-M578 PolarHBondContact O-N 3.45Å; T575-M578 PolarHBondContact O-N 3.17Å; M578-I582 PolarHBondContact O-N 3.1Å; M578-I582 HydrophobicContact SD-CB 4.38Å; M578-I582 HydrophobicContact SD-CG1 4.2Å; M578-L583 WeakPolarHBondContact O-CB 3.29Å; M578-L583 WeakPolarHBondContact O-CG 3.5Å; M578-L583 PolarHBondContact O-N 2.67Å
579V87.2Confident89.5Confident27 Ų2730 Ų3016%0.16416%0.157CC..Iπ-helixtrans-77.7-40.4-174.7178.70000112.6V338 W573 T575 L583 P584V338-V579 HydrophobicContact CG1-CG1 4.32Å; V338-V579 HydrophobicContact CG1-CG2 4.34Å; W573-V579 HydrophobicContact CZ2-CG2 4.18Å; T575-V579 HydrophobicContact CG2-CG2 3.96Å; T575-V579 WeakPolarHBondContact O-CB 3.4Å; T575-V579 WeakPolarHBondContact O-CG2 3.2Å; T575-V579 PolarHBondContact O-N 3.39Å; V579-L583 HydrophobicContact CG2-CD1 4.47Å; V579-P584 WeakPolarHBondContact O-CD 3.04Å
580Q87.1Confident89.4Confident124 Ų12430 Ų3058%0.57916%0.157SC*.Iπ-helixtrans-89.2-26.4-174.1-55176.6-000113.3D576D576-Q580 WeakPolarHBondContact O-CB 3.44Å; D576-Q580 WeakPolarHBondContact O-CG 3.36Å; D576-Q580 PolarHBondContact O-N 3.42Å
581H89.8Confident89.5Confident58 Ų5830 Ų3027%0.26916%0.158SC..Iπ-helixtrans-124.7-22.7-170.7-58.2-76.6000115.7M547 L550 L577 L585M547-H581 HydrophobicContact CE-CB 4.36Å; M547-H581 VanDerWaalsContact CE-CD2 3.44Å; M547-H581 WeakPolarHBondContact CE-CD2 3.35Å; M547-H581 WeakPolarHBondContact CE-NE2 3.33Å; L550-H581 HydrophobicContact CD1-CB 4.14Å; L577-H581 WeakPolarHBondContact O-CB 3.49Å; L577-H581 PolarHBondContact O-N 3.48Å; L577-H581 VanDerWaalsContact O-N 3.15Å; H581-L585 VanDerWaalsContact O-CD1 3.3Å; H581-L585 WeakPolarHBondContact O-CD1 3.26Å; H581-L585 WeakPolarHBondContact O-CG 3.44Å
582I93.3Very high89.7Confident0 Ų026.9 Ų26.90%015%0.146CC..Iπ-helixtrans-103.9-57.6-177-59.9-61.3000112.2L409 L535 L550 V568 L577 M578 P584 L585 M586L409-I582 HydrophobicContact CD2-CG2 4.49Å; L535-I582 HydrophobicContact CD2-CD1 3.5Å; L535-I582 HydrophobicContact CD2-CG1 3.63Å; L550-I582 HydrophobicContact CD1-CD1 3.78Å; L550-I582 HydrophobicContact CD2-CD1 3.51Å; L550-I582 HydrophobicContact CG-CD1 4.29Å; V568-I582 HydrophobicContact CB-CG2 4.49Å; V568-I582 HydrophobicContact CG1-CG2 4.35Å; V568-I582 HydrophobicContact CG2-CG2 4.03Å; L577-I582 HydrophobicContact CG-CG1 4.45Å; L577-I582 PolarHBondContact O-N 3.39Å; M578-I582 PolarHBondContact O-N 3.1Å; M578-I582 HydrophobicContact SD-CB 4.38Å; M578-I582 HydrophobicContact SD-CG1 4.2Å; I582-P584 VanDerWaalsContact C-CD 3.41Å; I582-P584 VanDerWaalsContact C-N 3.34Å; I582-L585 WeakPolarHBondContact O-CB 3.49Å; I582-L585 PolarHBondContact O-N 2.77Å; I582-M586 HydrophobicContact CG2-SD 3.5Å; I582-M586 WeakPolarHBondContact CG2-SD 3.36Å; I582-M586 WeakPolarHBondContact O-CG 3.44Å
583L90.9Very high89.9Confident17 Ų1725.1 Ų25.19%0.08914%0.136CC..G310 helixtrans-57.4-35.5-178.5-68.1179000114.5F341 L409 W573 M578 V579 L585 M586 V589 V591F341-L583 HydrophobicContact CE2-CB 4.29Å; F341-L583 HydrophobicContact CE2-CD1 4.07Å; L409-L583 HydrophobicContact CD2-CD2 4.06Å; W573-L583 HydrophobicContact CH2-CD1 4.12Å; M578-L583 WeakPolarHBondContact O-CB 3.29Å; M578-L583 WeakPolarHBondContact O-CG 3.5Å; M578-L583 PolarHBondContact O-N 2.67Å; V579-L583 HydrophobicContact CG2-CD1 4.47Å; L583-L585 PolarHBondContact O-N 2.66Å; L583-M586 PolarHBondContact O-N 3.09Å; L583-V589 HydrophobicContact CD2-CG1 4.04Å; L583-V591 HydrophobicContact CD2-CG2 4.08Å
584P89.9Confident89.9Confident81 Ų8127.4 Ų27.453%0.52615%0.149SC..G310 helixtrans-61.1-22.4174.4-25.537000114V579 I582 M586V579-P584 WeakPolarHBondContact O-CD 3.04Å; I582-P584 VanDerWaalsContact C-CD 3.41Å; I582-P584 VanDerWaalsContact C-N 3.34Å; P584-M586 VanDerWaalsContact C-N 3.32Å
585L90.4Very high90.1Very high20 Ų2026.5 Ų26.511%0.10515%0.145CC..G310 helixtrans-883.5177.1-51.1-177.8000113P554 L559 L566 H581 I582 L583P554-L585 HydrophobicContact CB-CD2 3.87Å; P554-L585 HydrophobicContact CG-CD2 3.83Å; L559-L585 HydrophobicContact CD1-CB 3.85Å; L559-L585 HydrophobicContact CD1-CD1 4.19Å; L559-L585 HydrophobicContact CD1-CD2 4.21Å; L559-L585 HydrophobicContact CD1-CG 4.31Å; L566-L585 HydrophobicContact CD2-CB 3.75Å; L566-L585 HydrophobicContact CD2-CD1 4.26Å; H581-L585 VanDerWaalsContact O-CD1 3.3Å; H581-L585 WeakPolarHBondContact O-CD1 3.26Å; H581-L585 WeakPolarHBondContact O-CG 3.44Å; I582-L585 WeakPolarHBondContact O-CB 3.49Å; I582-L585 PolarHBondContact O-N 2.77Å; L583-L585 PolarHBondContact O-N 2.66Å
586M90.8Very high90.4Very high3 Ų325.5 Ų25.52%0.01514%0.139CC..  trans-139.268.9-168.4-51.2175.282.100112V408 L409 L566 V568 I582 L583 P584 D588 V589V408-M586 VanDerWaalsContact O-CE 3.31Å; V408-M586 WeakPolarHBondContact O-CE 3.4Å; L409-M586 HydrophobicContact CB-CE 4.27Å; L566-M586 HydrophobicContact CB-CE 4.44Å; L566-M586 HydrophobicContact CB-CG 4.23Å; L566-M586 HydrophobicContact CD2-CG 3.72Å; L566-M586 HydrophobicContact CD2-SD 4.21Å; L566-M586 HydrophobicContact CG-CE 4.33Å; L566-M586 HydrophobicContact CG-CG 4.18Å; L566-M586 HydrophobicContact CG-SD 4.41Å; L566-M586 WeakPolarHBondContact O-CE 3.44Å; V568-M586 HydrophobicContact CB-CE 4.45Å; V568-M586 HydrophobicContact CG2-CE 3.95Å; V568-M586 HydrophobicContact CG2-SD 3.99Å; I582-M586 HydrophobicContact CG2-SD 3.5Å; I582-M586 WeakPolarHBondContact CG2-SD 3.36Å; I582-M586 WeakPolarHBondContact O-CG 3.44Å; L583-M586 PolarHBondContact O-N 3.09Å; P584-M586 VanDerWaalsContact C-N 3.32Å; M586-D588 VanDerWaalsContact C-N 3.29Å; M586-D588 PolarHBondContact O-N 2.93Å; M586-V589 HydrophobicContact CB-CB 3.79Å; M586-V589 HydrophobicContact CB-CG1 4.48Å; M586-V589 HydrophobicContact CB-CG2 4.22Å; M586-V589 HydrophobicContact CE-CG2 3.77Å; M586-V589 WeakPolarHBondContact O-CB 3.3Å; M586-V589 WeakPolarHBondContact O-CG1 3.37Å; M586-V589 PolarHBondContact O-N 3.4Å; M586-V589 HydrophobicContact SD-CG2 4.22Å
587P80.7Confident90.9Very high55 Ų5523.5 Ų23.536%0.35713%0.128SC..THydrogen-bonded Turntrans-56.9-39.2-174.920.7-32.4000113.8R358R358-P587 WeakPolarHBondContact CD-O 3.43Å; R358-P587 PolarHBondContact NE-O 2.87Å
588D83.4Confident91.1Very high35 Ų3523.9 Ų23.919%0.18713%0.13CC..THydrogen-bonded Turntrans-10531.7-174.5-54.9-64.3000113.3H359 H401 Q561 M586H359-D588 IonicContact CE1-OD1 3.69Å; H359-D588 PolarHBondContact CE1-OD1 3.49Å; H401-D588 PolarHBondContact CE1-O 3.24Å; H401-D588 PolarHBondContact NE2-O 3.1Å; Q561-D588 WeakPolarHBondContact CB-OD2 3.26Å; M586-D588 VanDerWaalsContact C-N 3.29Å; M586-D588 PolarHBondContact O-N 2.93Å
589V91.9Very high91.2Very high4 Ų423.9 Ų23.92%0.02413%0.13CC..  trans-65.8139.2-174.7670000113.8W356 S407 L409 L583 M586 V591W356-V589 HydrophobicContact CZ3-CG1 3.99Å; S407-V589 WeakPolarHBondContact O-CA 3.32Å; L409-V589 HydrophobicContact CB-CG2 3.99Å; L583-V589 HydrophobicContact CD2-CG1 4.04Å; M586-V589 HydrophobicContact CB-CB 3.79Å; M586-V589 HydrophobicContact CB-CG1 4.48Å; M586-V589 HydrophobicContact CB-CG2 4.22Å; M586-V589 HydrophobicContact CE-CG2 3.77Å; M586-V589 WeakPolarHBondContact O-CB 3.3Å; M586-V589 WeakPolarHBondContact O-CG1 3.37Å; M586-V589 PolarHBondContact O-N 3.4Å; M586-V589 HydrophobicContact SD-CG2 4.22Å; V589-V591 HydrophobicContact CG1-CG2 3.97Å; V589-V591 HydrophobicContact CG2-CG2 3.93Å
590L94.6Very high91.4Very high0 Ų022.8 Ų22.80%012%0.123CC..EExtended strand (participates in β ladder)trans-97.9115.2154.3170.266.2000108.3W356 V361 F397 H401 S407 V408 L409 L592W356-L590 CarbonylContact O-C 3.5Å; W356-L590 WeakPolarHBondContact O-CA 3.5Å; V361-L590 HydrophobicContact CG1-CD2 4.43Å; V361-L590 HydrophobicContact CG2-CD1 4.33Å; V361-L590 HydrophobicContact CG2-CD2 4.44Å; F397-L590 HydrophobicContact CB-CD2 4.08Å; F397-L590 WeakPolarHBondContact O-CD2 3.45Å; H401-L590 HydrophobicContact CB-CB 4.47Å; H401-L590 HydrophobicContact CB-CD2 3.63Å; H401-L590 WeakPolarHBondContact CD2-CB 2.95Å; H401-L590 VanDerWaalsContact NE2-CB 3.33Å; H401-L590 WeakPolarHBondContact NE2-CB 3.39Å; H401-L590 PolarHBondContact NE2-N 2.93Å; S407-L590 PolarHBondContact O-N 3.02Å; V408-L590 WeakPolarHBondContact CA-O 3.47Å; V408-L590 HydrophobicContact CG2-CB 4.22Å; V408-L590 HydrophobicContact CG2-CD2 4.29Å; V408-L590 HydrophobicContact CG2-CG 4.3Å; V408-L590 VanDerWaalsContact CG2-O 3.32Å; V408-L590 WeakPolarHBondContact CG2-O 3.47Å; L409-L590 PolarHBondContact N-O 2.73Å; L590-L592 HydrophobicContact CD1-CD2 3.76Å; L590-L592 HydrophobicContact CD1-CG 4.32Å; L590-L592 HydrophobicContact CD2-CD1 4.1Å; L590-L592 HydrophobicContact CD2-CD2 4.09Å; L590-L592 HydrophobicContact CD2-CG 4.15Å; L590-L592 HydrophobicContact CG-CD1 4.38Å; L590-L592 HydrophobicContact CG-CD2 3.88Å; L590-L592 HydrophobicContact CG-CG 3.91Å
591V94.9Very high91.6Very high1 Ų117.1 Ų17.11%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-93.6130.6172.4-171.30000108.3G355 W356 L409 W573 L583 V589 F593G355-V591 CarbonylContact C-O 3.6Å; G355-V591 VanDerWaalsContact CA-O 3.26Å; G355-V591 WeakPolarHBondContact CA-O 3.3Å; W356-V591 HydrophobicContact CE3-CG2 4.21Å; W356-V591 PolarHBondContact N-O 2.67Å; W356-V591 PolarHBondContact O-N 3.34Å; L409-V591 HydrophobicContact CB-CG2 4.48Å; L409-V591 HydrophobicContact CD2-CG1 4.29Å; L409-V591 HydrophobicContact CD2-CG2 4.48Å; L409-V591 HydrophobicContact CG-CG1 4.36Å; L409-V591 CarbonylContact O-C 3.51Å; L409-V591 WeakPolarHBondContact O-CA 3.29Å; W573-V591 HydrophobicContact CZ3-CG1 4.04Å; L583-V591 HydrophobicContact CD2-CG2 4.08Å; V589-V591 HydrophobicContact CG1-CG2 3.97Å; V589-V591 HydrophobicContact CG2-CG2 3.93Å; V591-F593 HydrophobicContact CG1-CD2 4.19Å; V591-F593 HydrophobicContact CG1-CE2 3.45Å; V591-F593 VanDerWaalsContact CG1-CE2 3.45Å; V591-F593 HydrophobicContact CG1-CZ 3.83Å
592L95.6Very high91.5Very high0 Ų016 Ų160%09%0.091CC..EExtended strand (participates in β ladder)trans-127130.7179.5-62.6176.9000110.9V353 L354 V394 F397 A398 V408 L409 V410 V411 L590V353-L592 HydrophobicContact CG1-CB 4.34Å; V353-L592 HydrophobicContact CG1-CD2 3.99Å; L354-L592 WeakPolarHBondContact O-CA 3.37Å; V394-L592 HydrophobicContact CB-CD1 4.2Å; V394-L592 HydrophobicContact CG1-CB 4.34Å; V394-L592 WeakPolarHBondContact O-CD1 3.24Å; F397-L592 HydrophobicContact CB-CD1 4.09Å; F397-L592 HydrophobicContact CB-CD2 3.81Å; F397-L592 HydrophobicContact CD2-CD2 4.4Å; F397-L592 HydrophobicContact CG-CD2 4.23Å; A398-L592 HydrophobicContact CB-CD1 3.88Å; V408-L592 HydrophobicContact CG2-CD1 4.41Å; L409-L592 PolarHBondContact O-N 2.79Å; V410-L592 HydrophobicContact CG1-CB 4.4Å; V410-L592 HydrophobicContact CG2-CD1 4.33Å; V411-L592 PolarHBondContact N-O 2.98Å; L590-L592 HydrophobicContact CD1-CD2 3.76Å; L590-L592 HydrophobicContact CD1-CG 4.32Å; L590-L592 HydrophobicContact CD2-CD1 4.1Å; L590-L592 HydrophobicContact CD2-CD2 4.09Å; L590-L592 HydrophobicContact CD2-CG 4.15Å; L590-L592 HydrophobicContact CG-CD1 4.38Å; L590-L592 HydrophobicContact CG-CD2 3.88Å; L590-L592 HydrophobicContact CG-CG 3.91Å
593F95Very high91.1Very high1 Ų116.3 Ų16.30%0.00410%0.095CC..EExtended strand (participates in β ladder)trans-117.5117.3171.3-59.2-94.8000110V353 L354 V411 W573 V591 E598 A599 Y602V353-F593 VanDerWaalsContact CA-O 3.31Å; V353-F593 WeakPolarHBondContact CA-O 3.38Å; L354-F593 HydrophobicContact CB-CB 4.33Å; L354-F593 HydrophobicContact CD2-CD2 4.21Å; L354-F593 PolarHBondContact N-O 3.44Å; L354-F593 PolarHBondContact O-N 3.35Å; V411-F593 HydrophobicContact CB-CD1 3.94Å; V411-F593 HydrophobicContact CB-CE1 4.16Å; V411-F593 HydrophobicContact CG1-CD1 4.2Å; V411-F593 HydrophobicContact CG1-CE1 4.37Å; V411-F593 HydrophobicContact CG2-CE1 4.45Å; V411-F593 WeakPolarHBondContact O-CA 3.37Å; W573-F593 HydrophobicContact CB-CE1 4.14Å; W573-F593 AromaticContact CD2-CE1 3.86Å; W573-F593 HydrophobicContact CD2-CE1 3.86Å; W573-F593 AromaticContact CD2-CZ 3.89Å; W573-F593 HydrophobicContact CD2-CZ 3.89Å; W573-F593 AromaticContact CE3-CE1 3.43Å; W573-F593 HydrophobicContact CE3-CE1 3.43Å; W573-F593 VanDerWaalsContact CE3-CE1 3.43Å; W573-F593 AromaticContact CE3-CZ 3.37Å; W573-F593 HydrophobicContact CE3-CZ 3.37Å; W573-F593 HydrophobicContact CG-CE1 4.14Å; W573-F593 HydrophobicContact CH2-CZ 4.4Å; W573-F593 HydrophobicContact CZ3-CE1 4.15Å; W573-F593 AromaticContact CZ3-CZ 3.65Å; W573-F593 HydrophobicContact CZ3-CZ 3.65Å; V591-F593 HydrophobicContact CG1-CD2 4.19Å; V591-F593 HydrophobicContact CG1-CE2 3.45Å; V591-F593 VanDerWaalsContact CG1-CE2 3.45Å; V591-F593 HydrophobicContact CG1-CZ 3.83Å; F593-E598 HydrophobicContact CD1-CB 4.3Å; F593-A599 HydrophobicContact CB-CB 3.72Å; F593-A599 HydrophobicContact CD1-CB 4.15Å; F593-A599 HydrophobicContact CD2-CB 4.33Å; F593-A599 HydrophobicContact CG-CB 3.84Å; F593-Y602 HydrophobicContact CE1-CG 4.33Å; F593-Y602 AromaticContact CE2-CD1 3.6Å; F593-Y602 HydrophobicContact CE2-CD1 3.6Å; F593-Y602 HydrophobicContact CE2-CD2 4.36Å; F593-Y602 HydrophobicContact CE2-CE1 4.1Å; F593-Y602 AromaticContact CE2-CG 3.75Å; F593-Y602 HydrophobicContact CE2-CG 3.75Å; F593-Y602 VanDerWaalsContact CZ-CB 3.41Å; F593-Y602 AromaticContact CZ-CD1 3.79Å; F593-Y602 HydrophobicContact CZ-CD1 3.79Å; F593-Y602 AromaticContact CZ-CD2 3.92Å; F593-Y602 HydrophobicContact CZ-CD2 3.92Å; F593-Y602 AromaticContact CZ-CG 3.41Å; F593-Y602 HydrophobicContact CZ-CG 3.41Å; F593-Y602 VanDerWaalsContact CZ-CG 3.41Å
594D92.6Very high90.8Very high50 Ų5015.7 Ų15.727%0.2679%0.093SC..SBendtrans-85-21.4167.4-16480.6000111.5V353 V394 V411 I416V353-D594 HydrophobicContact CG2-CB 4.46Å; V394-D594 HydrophobicContact CG1-CB 3.77Å; V411-D594 PolarHBondContact O-N 3.25Å; I416-D594 HydrophobicContact CD1-CB 3.48Å; I416-D594 VanDerWaalsContact CD1-CB 3.48Å; I416-D594 VanDerWaalsContact CG2-OD2 3.23Å; I416-D594 WeakPolarHBondContact CG2-OD2 3.42Å
595D93.4Very high90.8Very high5 Ų512 Ų123%0.0277%0.069CC..  trans-102.2112.3179.4-163.3-50.4000110.7N413 L597 E598 A599 K716N413-D595 PolarHBondContact ND2-OD2 2.9Å; N413-D595 PolarHBondContact OD1-OD2 3.34Å; D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 2.87Å; D595-L597 WeakPolarHBondContact OD1-CB 3.48Å; D595-L597 PolarHBondContact OD1-N 3.15Å; D595-E598 HydrophobicContact CB-CB 4.01Å; D595-E598 HydrophobicContact CB-CG 3.77Å; D595-E598 PolarHBondContact O-N 3.07Å; D595-E598 PolarHBondContact OD1-N 3.26Å; D595-A599 PolarHBondContact O-N 2.93Å; D595-K716 WeakPolarHBondContact OD2-CD 3.13Å; D595-K716 WeakPolarHBondContact OD2-CE 3.43Å; D595-K716 IonicContact OD2-NZ 3.52Å; D595-K716 PolarHBondContact OD2-NZ 2.93Å
596A93.4Very high90.8Very high3 Ų313.1 Ų13.13%0.0257%0.073CC..Hα-helixtrans-70.7-22-17500000113.9S600 F719 Y723A596-S600 PolarHBondContact O-N 2.83Å; A596-S600 VanDerWaalsContact O-N 3.14Å; A596-S600 PolarHBondContact O-OG 2.91Å; A596-F719 HydrophobicContact CB-CB 4.04Å; A596-F719 WeakPolarHBondContact O-CB 3.45Å; A596-Y723 HydrophobicContact CB-CE1 3.68Å; A596-Y723 WeakPolarHBondContact CB-OH 3.46Å
597L94.5Very high90.8Very high4 Ų413.3 Ų13.32%0.0217%0.074CC..Hα-helixtrans-74.5-43.4174176.159.6000110.1D595 A599 S600 V601 W712 K716 F719 F755D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 2.87Å; D595-L597 WeakPolarHBondContact OD1-CB 3.48Å; D595-L597 PolarHBondContact OD1-N 3.15Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 2.75Å; L597-S600 WeakPolarHBondContact O-CB 3.24Å; L597-S600 PolarHBondContact O-N 2.72Å; L597-V601 PolarHBondContact O-N 3.47Å; L597-V601 VanDerWaalsContact O-N 3.16Å; L597-W712 HydrophobicContact CD2-CH2 4.32Å; L597-W712 HydrophobicContact CD2-CZ2 4.04Å; L597-K716 HydrophobicContact CB-CB 4.05Å; L597-K716 HydrophobicContact CB-CD 4.14Å; L597-K716 HydrophobicContact CB-CG 3.92Å; L597-K716 HydrophobicContact CD2-CD 3.96Å; L597-K716 HydrophobicContact CD2-CG 3.78Å; L597-F719 HydrophobicContact CB-CD2 4.2Å; L597-F719 HydrophobicContact CB-CG 4.37Å; L597-F719 HydrophobicContact CD1-CD1 3.92Å; L597-F719 HydrophobicContact CD1-CD2 3.96Å; L597-F719 HydrophobicContact CD1-CE1 3.71Å; L597-F719 HydrophobicContact CD1-CE2 3.77Å; L597-F719 HydrophobicContact CD1-CG 4.05Å; L597-F719 HydrophobicContact CD1-CZ 3.65Å; L597-F755 HydrophobicContact CD1-CE1 4.03Å; L597-F755 HydrophobicContact CD1-CE2 4.1Å; L597-F755 HydrophobicContact CD1-CZ 3.58Å; L597-F755 HydrophobicContact CD2-CD1 4.44Å; L597-F755 HydrophobicContact CD2-CD2 3.67Å; L597-F755 HydrophobicContact CD2-CE1 4.25Å; L597-F755 HydrophobicContact CD2-CE2 3.44Å; L597-F755 VanDerWaalsContact CD2-CE2 3.44Å; L597-F755 HydrophobicContact CD2-CG 4.16Å; L597-F755 HydrophobicContact CD2-CZ 3.75Å; L597-F755 HydrophobicContact CG-CD2 4.17Å; L597-F755 HydrophobicContact CG-CE1 4.23Å; L597-F755 HydrophobicContact CG-CE2 3.41Å; L597-F755 VanDerWaalsContact CG-CE2 3.41Å; L597-F755 HydrophobicContact CG-CZ 3.43Å; L597-F755 VanDerWaalsContact CG-CZ 3.43Å
598E94Very high91.3Very high13 Ų1311.9 Ų11.96%0.0616%0.064CC..Hα-helixtrans-61.9-39.2172.4-61.6-65.8141.900111.9V411 I572 W573 F593 D595 S600 V601 Y602 H759V411-E598 HydrophobicContact CG1-CB 4.34Å; I572-E598 VanDerWaalsContact CA-OE2 3.28Å; I572-E598 WeakPolarHBondContact CA-OE2 3.5Å; W573-E598 PolarHBondContact N-OE2 2.98Å; F593-E598 HydrophobicContact CD1-CB 4.3Å; D595-E598 HydrophobicContact CB-CB 4.01Å; D595-E598 HydrophobicContact CB-CG 3.77Å; D595-E598 PolarHBondContact O-N 3.07Å; D595-E598 PolarHBondContact OD1-N 3.26Å; E598-S600 PolarHBondContact O-N 3.01Å; E598-V601 PolarHBondContact O-N 3.07Å; E598-Y602 PolarHBondContact O-N 3.3Å; E598-Y602 VanDerWaalsContact O-N 3.12Å; E598-H759 IonicContact OE1-CE1 2.65Å; E598-H759 IonicContact OE1-NE2 2.86Å; E598-H759 PolarHBondContact OE1-NE2 2.92Å; E598-H759 IonicContact OE2-CE1 3.41Å; E598-H759 PolarHBondContact OE2-CE1 3.48Å; E598-H759 IonicContact OE2-NE2 3.51Å; E598-H759 PolarHBondContact OE2-NE2 3.27Å; E598-H759 VanDerWaalsContact OE2-NE2 3.14Å
599A92.1Very high91.8Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-61.7-29.4172.700000113.1L354 F593 D595 L597 G603 Y723L354-A599 HydrophobicContact CB-CB 4.37Å; L354-A599 HydrophobicContact CD2-CB 3.85Å; F593-A599 HydrophobicContact CB-CB 3.72Å; F593-A599 HydrophobicContact CD1-CB 4.15Å; F593-A599 HydrophobicContact CD2-CB 4.33Å; F593-A599 HydrophobicContact CG-CB 3.84Å; D595-A599 PolarHBondContact O-N 2.93Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 2.75Å; A599-G603 PolarHBondContact O-N 3.33Å; A599-Y723 HydrophobicContact CB-CE1 3.94Å
600S91.6Very high91.8Very high4 Ų413 Ų133%0.0287%0.067CC..Hα-helixtrans-77.7-31.5178.3-63.30000112.5A596 L597 E598 G603 G604 V605 F719A596-S600 PolarHBondContact O-N 2.83Å; A596-S600 VanDerWaalsContact O-N 3.14Å; A596-S600 PolarHBondContact O-OG 2.91Å; L597-S600 WeakPolarHBondContact O-CB 3.24Å; L597-S600 PolarHBondContact O-N 2.72Å; E598-S600 PolarHBondContact O-N 3.01Å; S600-G603 CarbonylContact O-C 3.59Å; S600-G603 PolarHBondContact O-N 2.9Å; S600-G604 PolarHBondContact O-N 2.88Å; S600-G604 VanDerWaalsContact O-N 3.09Å; S600-V605 PolarHBondContact O-N 2.66Å; S600-F719 WeakPolarHBondContact OG-CB 3.19Å
601V90.4Very high91.7Very high6 Ų614.3 Ų14.34%0.0368%0.075CC..Hα-helixtrans-63.1-50.9167.7179.10000110.3L336 L597 E598 G603 G604 F755L336-V601 HydrophobicContact CD2-CB 4.31Å; L336-V601 HydrophobicContact CD2-CG1 3.74Å; L336-V601 HydrophobicContact CD2-CG2 4.38Å; L597-V601 PolarHBondContact O-N 3.47Å; L597-V601 VanDerWaalsContact O-N 3.16Å; E598-V601 PolarHBondContact O-N 3.07Å; V601-G603 PolarHBondContact O-N 3.2Å; V601-G604 PolarHBondContact O-N 2.82Å; V601-G604 VanDerWaalsContact O-N 3.07Å; V601-F755 HydrophobicContact CG2-CE1 4.3Å; V601-F755 HydrophobicContact CG2-CE2 4.25Å; V601-F755 HydrophobicContact CG2-CZ 3.48Å; V601-F755 VanDerWaalsContact CG2-CZ 3.48Å
602Y88.6Confident91.5Very high33 Ų3314.3 Ų14.313%0.1298%0.075CC..Hα-helixtrans-53.8-37.5172.8166.1-107.3000112.3P340 W573 F593 E598P340-Y602 HydrophobicContact CB-CE2 4.12Å; P340-Y602 HydrophobicContact CG-CD2 4.37Å; P340-Y602 HydrophobicContact CG-CE2 3.94Å; W573-Y602 HydrophobicContact CD2-CD2 4.34Å; W573-Y602 AromaticContact CE2-CD2 3.69Å; W573-Y602 AromaticContact CH2-CD2 3.87Å; W573-Y602 HydrophobicContact CH2-CD2 3.87Å; W573-Y602 HydrophobicContact CH2-CE2 4.22Å; W573-Y602 AromaticContact CZ2-CD2 3.46Å; W573-Y602 HydrophobicContact CZ2-CD2 3.46Å; W573-Y602 VanDerWaalsContact CZ2-CD2 3.46Å; W573-Y602 HydrophobicContact CZ2-CE2 4.07Å; W573-Y602 HydrophobicContact CZ2-CG 4.46Å; W573-Y602 HydrophobicContact CZ3-CD2 4.45Å; F593-Y602 HydrophobicContact CE1-CG 4.33Å; F593-Y602 AromaticContact CE2-CD1 3.6Å; F593-Y602 HydrophobicContact CE2-CD1 3.6Å; F593-Y602 HydrophobicContact CE2-CD2 4.36Å; F593-Y602 HydrophobicContact CE2-CE1 4.1Å; F593-Y602 AromaticContact CE2-CG 3.75Å; F593-Y602 HydrophobicContact CE2-CG 3.75Å; F593-Y602 VanDerWaalsContact CZ-CB 3.41Å; F593-Y602 AromaticContact CZ-CD1 3.79Å; F593-Y602 HydrophobicContact CZ-CD1 3.79Å; F593-Y602 AromaticContact CZ-CD2 3.92Å; F593-Y602 HydrophobicContact CZ-CD2 3.92Å; F593-Y602 AromaticContact CZ-CG 3.41Å; F593-Y602 HydrophobicContact CZ-CG 3.41Å; F593-Y602 VanDerWaalsContact CZ-CG 3.41Å; E598-Y602 PolarHBondContact O-N 3.3Å; E598-Y602 VanDerWaalsContact O-N 3.12Å
603G83.9Confident91Very high8 Ų816.5 Ų16.58%0.0829%0.094CC..Hα-helixtrans-72.6-18.8178.100000116.8A599 S600 V601 V734A599-G603 PolarHBondContact O-N 3.33Å; S600-G603 CarbonylContact O-C 3.59Å; S600-G603 PolarHBondContact O-N 2.9Å; V601-G603 PolarHBondContact O-N 3.2Å; G603-V734 WeakPolarHBondContact O-CB 3.46Å; G603-V734 WeakPolarHBondContact O-CG2 3.26Å
604G85.7Confident90.6Very high4 Ų421.6 Ų21.64%0.04112%0.121CC..THydrogen-bonded Turntrans68.434.6-169.800000113.7L336 S600 V601L336-G604 WeakPolarHBondContact O-CA 3.43Å; S600-G604 PolarHBondContact O-N 2.88Å; S600-G604 VanDerWaalsContact O-N 3.09Å; V601-G604 PolarHBondContact O-N 2.82Å; V601-G604 VanDerWaalsContact O-N 3.07Å
605V89.1Confident90.3Very high4 Ų422.6 Ų22.62%0.02412%0.124CC..  trans-72.4128.3168.8175.20000108.4L336 S600 F722 G735L336-V605 WeakPolarHBondContact CD1-O 3.4Å; S600-V605 PolarHBondContact O-N 2.66Å; V605-F722 HydrophobicContact CG1-CD2 3.96Å; V605-F722 HydrophobicContact CG1-CE1 4.31Å; V605-F722 HydrophobicContact CG1-CE2 3.61Å; V605-F722 HydrophobicContact CG1-CG 4.45Å; V605-F722 HydrophobicContact CG1-CZ 3.79Å; V605-F722 HydrophobicContact CG2-CB 4.28Å; V605-F722 HydrophobicContact CG2-CD1 4.38Å; V605-F722 HydrophobicContact CG2-CD2 4.15Å; V605-F722 HydrophobicContact CG2-CG 4.03Å; V605-G735 WeakPolarHBondContact CA-O 3.49Å
606Q89.9Confident90Very high43 Ų4326.9 Ų26.920%0.20115%0.152CC..EExtended strand (participates in β ladder)trans-73.9141.3177.4-69.6175.4-1600111P733 G735 Q736 S737Q606-P733 HydrophobicContact CG-CB 4.14Å; Q606-G735 PolarHBondContact N-O 3Å; Q606-Q736 HydrophobicContact CB-CG 4.29Å; Q606-S737 PolarHBondContact O-N 3.32Å
607L91.9Very high89.8Confident6 Ų630.5 Ų30.53%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-117.4119.9175.9-175.560.2000109.9F719 S737 V739 L752 F755 Y756L607-F719 HydrophobicContact CD1-CE1 4.4Å; L607-F719 HydrophobicContact CD1-CZ 4.1Å; L607-S737 WeakPolarHBondContact CD1-OG 3.29Å; L607-V739 HydrophobicContact CD1-CG2 3.97Å; L607-L752 HydrophobicContact CD2-CD2 4.44Å; L607-F755 HydrophobicContact CD2-CD1 4.32Å; L607-F755 HydrophobicContact CD2-CE1 4.06Å; L607-Y756 HydrophobicContact CD2-CD2 4.41Å; L607-Y756 HydrophobicContact CD2-CE2 3.55Å; L607-Y756 HydrophobicContact CG-CE2 4.12Å; L607-Y756 PolarHBondContact O-OH 2.83Å; L607-Y756 VanDerWaalsContact O-OH 3.13Å
608D91.4Very high89.5Confident26 Ų2630.3 Ų30.314%0.13917%0.167CC..EExtended strand (participates in β ladder)trans-115136.9175.1179.220.8000108.6R610 S737 V738 V739D608-R610 IonicContact OD2-CZ 3.73Å; D608-R610 IonicContact OD2-NE 3.35Å; D608-R610 PolarHBondContact OD2-NE 3.06Å; D608-R610 IonicContact OD2-NH2 3.86Å; D608-R610 PolarHBondContact OD2-NH2 3.48Å; D608-S737 PolarHBondContact N-O 3.3Å; D608-V738 HydrophobicContact CB-CG2 4.21Å; D608-V738 CarbonylContact O-C 3.51Å; D608-V738 WeakPolarHBondContact O-CA 3.35Å; D608-V739 PolarHBondContact O-N 3.37Å
609V93.3Very high89.3Confident25 Ų2530.6 Ų30.615%0.15217%0.169CC..EExtended strand (participates in β ladder)trans-129.2107.9178.8-176.10000108.1V739 A741 L752 Y756 L767V609-V739 HydrophobicContact CG1-CB 4.41Å; V609-V739 HydrophobicContact CG2-CB 4.26Å; V609-V739 HydrophobicContact CG2-CG2 4.49Å; V609-A741 HydrophobicContact CG1-CB 4.16Å; V609-L752 HydrophobicContact CG1-CD1 4.25Å; V609-L752 HydrophobicContact CG2-CD1 4.17Å; V609-Y756 HydrophobicContact CG2-CE2 4.24Å; V609-L767 HydrophobicContact CB-CD1 4.26Å; V609-L767 HydrophobicContact CG1-CD1 3.97Å; V609-L767 HydrophobicContact CG1-CD2 4.13Å
610R92.7Very high89.1Confident37 Ų3735.5 Ų35.514%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-98.4121177.8-55.7-174.3-174.5-163-11.3108.1D608 V612 H621 E628 V738 V739 F740 A741D608-R610 IonicContact OD2-CZ 3.73Å; D608-R610 IonicContact OD2-NE 3.35Å; D608-R610 PolarHBondContact OD2-NE 3.06Å; D608-R610 IonicContact OD2-NH2 3.86Å; D608-R610 PolarHBondContact OD2-NH2 3.48Å; R610-V612 HydrophobicContact CB-CG2 4.23Å; R610-H621 PolarHBondContact NH1-O 3.49Å; R610-E628 IonicContact NH2-OE2 2.71Å; R610-E628 PolarHBondContact NH2-OE2 3.5Å; R610-V738 HydrophobicContact CG-CG1 4.24Å; R610-V739 PolarHBondContact N-O 2.98Å; R610-F740 HydrophobicContact CB-CD1 4.18Å; R610-F740 WeakPolarHBondContact O-CA 3.4Å; R610-A741 PolarHBondContact O-N 2.96Å
611V91.9Very high88.9Confident28 Ų2838.1 Ų38.117%0.1720%0.204CC..EExtended strand (participates in β ladder)trans-84.3127.8173.1179.70000107.9A741 P743 L767 I770V611-A741 CarbonylContact C-O 3.57Å; V611-A741 VanDerWaalsContact CA-O 3.26Å; V611-A741 WeakPolarHBondContact CA-O 3.41Å; V611-P743 HydrophobicContact CG1-CG 3.79Å; V611-L767 HydrophobicContact CG2-CD2 3.37Å; V611-I770 HydrophobicContact CB-CD1 4.26Å; V611-I770 HydrophobicContact CG1-CD1 3.66Å; V611-I770 HydrophobicContact CG2-CD1 3.67Å
612V91.4Very high88.8Confident0 Ų037.8 Ų37.80%020%0.202CC..  trans-142.6122.2-171.8-169.30000108.1R610 E617 K618 A741 K742R610-V612 HydrophobicContact CB-CG2 4.23Å; V612-E617 WeakPolarHBondContact CA-OE2 3.47Å; V612-E617 HydrophobicContact CG1-CB 3.61Å; V612-E617 HydrophobicContact CG1-CG 3.68Å; V612-E617 VanDerWaalsContact CG1-OE2 3.28Å; V612-E617 WeakPolarHBondContact CG1-OE2 3.38Å; V612-K618 HydrophobicContact CB-CG 4Å; V612-K618 HydrophobicContact CG1-CB 4.18Å; V612-K618 HydrophobicContact CG1-CG 3.53Å; V612-K618 VanDerWaalsContact CG1-N 3.31Å; V612-A741 PolarHBondContact N-O 3.09Å; V612-K742 WeakPolarHBondContact O-CA 3.5Å
613A84.8Confident88.7Confident47 Ų4739.7 Ų39.739%0.38821%0.211SC..  trans-76.3-52.1-17600000111.2E617A613-E617 PolarHBondContact N-OE2 2.94Å
614D86.1Confident88.8Confident107 Ų10741.1 Ų41.157%0.57222%0.222SC*.SBendtrans-115.5157-166.3-64.7-54.4000113.6E617 K618D614-E617 WeakPolarHBondContact O-CB 3.22Å; D614-E617 PolarHBondContact O-N 2.8Å; D614-K618 PolarHBondContact O-N 3.17Å; D614-K618 VanDerWaalsContact O-N 3.08Å
615E85.8Confident88.8Confident71 Ų7141 Ų4133%0.33222%0.22SC..Hα-helixtrans-64.1-38.2179.4-65.8-62.8136.600114E617 K618 I619 Y706 K742E615-E617 VanDerWaalsContact C-N 3.3Å; E615-E617 PolarHBondContact O-N 2.86Å; E615-K618 WeakPolarHBondContact O-CB 3.35Å; E615-K618 PolarHBondContact O-N 3.42Å; E615-K618 WeakPolarHBondContact OE1-CE 3.35Å; E615-K618 IonicContact OE1-NZ 3.03Å; E615-K618 PolarHBondContact OE1-NZ 3.11Å; E615-K618 IonicContact OE2-NZ 2.96Å; E615-I619 WeakPolarHBondContact O-CG1 3.43Å; E615-I619 PolarHBondContact O-N 2.82Å; E615-Y706 VanDerWaalsContact OE2-CE1 3.25Å; E615-Y706 WeakPolarHBondContact OE2-CE1 3.29Å; E615-Y706 VanDerWaalsContact OE2-CZ 3.3Å; E615-Y706 PolarHBondContact OE2-OH 3.07Å; E615-K742 WeakPolarHBondContact OE1-CE 3.5Å; E615-K742 IonicContact OE1-NZ 3Å; E615-K742 PolarHBondContact OE1-NZ 2.96Å
616P87Confident88.5Confident95 Ų9542.3 Ų42.362%0.61723%0.227SC*.Hα-helixtrans-60.1-39.8172.3-24.135.9000112.5K618 I619 E620P616-K618 VanDerWaalsContact C-N 3.33Å; P616-K618 PolarHBondContact O-N 2.83Å; P616-I619 WeakPolarHBondContact O-CB 3.39Å; P616-I619 PolarHBondContact O-N 2.87Å; P616-I619 VanDerWaalsContact O-N 3.12Å; P616-E620 PolarHBondContact O-N 3.05Å
617E88.8Confident88Confident79 Ų7944.2 Ų44.237%0.36925%0.25SC..Hα-helixtrans-65.2-36.3177.7-165.3-168.6-159.800111.3V612 A613 D614 E615 I619 E620 H621V612-E617 WeakPolarHBondContact CA-OE2 3.47Å; V612-E617 HydrophobicContact CG1-CB 3.61Å; V612-E617 HydrophobicContact CG1-CG 3.68Å; V612-E617 VanDerWaalsContact CG1-OE2 3.28Å; V612-E617 WeakPolarHBondContact CG1-OE2 3.38Å; A613-E617 PolarHBondContact N-OE2 2.94Å; D614-E617 WeakPolarHBondContact O-CB 3.22Å; D614-E617 PolarHBondContact O-N 2.8Å; E615-E617 VanDerWaalsContact C-N 3.3Å; E615-E617 PolarHBondContact O-N 2.86Å; E617-I619 VanDerWaalsContact C-N 3.31Å; E617-I619 PolarHBondContact O-N 2.93Å; E617-E620 PolarHBondContact O-N 3.04Å; E617-H621 PolarHBondContact O-CD2 3.29Å; E617-H621 PolarHBondContact O-N 3.04Å
618K89.9Confident87.4Confident1 Ų149.9 Ų49.90%0.00428%0.276CS..Hα-helixtrans-61.4-39.4171.4-73.6-174.3179.4176.40112V612 D614 E615 P616 L622 Y706 S707 F740V612-K618 HydrophobicContact CB-CG 4Å; V612-K618 HydrophobicContact CG1-CB 4.18Å; V612-K618 HydrophobicContact CG1-CG 3.53Å; V612-K618 VanDerWaalsContact CG1-N 3.31Å; D614-K618 PolarHBondContact O-N 3.17Å; D614-K618 VanDerWaalsContact O-N 3.08Å; E615-K618 WeakPolarHBondContact O-CB 3.35Å; E615-K618 PolarHBondContact O-N 3.42Å; E615-K618 WeakPolarHBondContact OE1-CE 3.35Å; E615-K618 IonicContact OE1-NZ 3.03Å; E615-K618 PolarHBondContact OE1-NZ 3.11Å; E615-K618 IonicContact OE2-NZ 2.96Å; P616-K618 VanDerWaalsContact C-N 3.33Å; P616-K618 PolarHBondContact O-N 2.83Å; K618-L622 VanDerWaalsContact O-CB 3.25Å; K618-L622 WeakPolarHBondContact O-CB 3.46Å; K618-L622 PolarHBondContact O-N 3.3Å; K618-Y706 HydrophobicContact CB-CE2 4.01Å; K618-Y706 HydrophobicContact CD-CD1 4.4Å; K618-Y706 HydrophobicContact CD-CE1 3.8Å; K618-Y706 HydrophobicContact CD-CE2 4.01Å; K618-Y706 WeakPolarHBondContact CE-O 3.33Å; K618-Y706 PolarHBondContact NZ-O 2.95Å; K618-S707 PolarHBondContact NZ-OG 2.84Å; K618-F740 HydrophobicContact CB-CD2 4.09Å; K618-F740 HydrophobicContact CB-CE2 4.33Å; K618-F740 HydrophobicContact CD-CD2 4.19Å; K618-F740 HydrophobicContact CG-CD2 4.01Å
619I88.5Confident86.6Confident18 Ų1851 Ų519%0.09228%0.279CS..Hα-helixtrans-67.9-39.1176.9-60.3-60.3000110.8E615 P616 E617 L622 K623 L650 I657 Y706E615-I619 WeakPolarHBondContact O-CG1 3.43Å; E615-I619 PolarHBondContact O-N 2.82Å; P616-I619 WeakPolarHBondContact O-CB 3.39Å; P616-I619 PolarHBondContact O-N 2.87Å; P616-I619 VanDerWaalsContact O-N 3.12Å; E617-I619 VanDerWaalsContact C-N 3.31Å; E617-I619 PolarHBondContact O-N 2.93Å; I619-L622 PolarHBondContact O-N 3.16Å; I619-K623 WeakPolarHBondContact O-CG 3.34Å; I619-K623 PolarHBondContact O-N 2.91Å; I619-L650 HydrophobicContact CD1-CD1 3.48Å; I619-L650 VanDerWaalsContact CD1-CD1 3.48Å; I619-I657 HydrophobicContact CG2-CD1 4.2Å; I619-Y706 HydrophobicContact CD1-CE2 4.44Å
620E87.9Confident85Confident104 Ų10461.6 Ų61.649%0.48632%0.316SS..Hα-helixtrans-66.8-43.2173.9-63.5-46.5125.900112.6P616 E617 L622 K623 A624P616-E620 PolarHBondContact O-N 3.05Å; E617-E620 PolarHBondContact O-N 3.04Å; E620-L622 PolarHBondContact O-N 3.49Å; E620-K623 WeakPolarHBondContact O-CB 3.34Å; E620-K623 PolarHBondContact O-N 3.47Å; E620-K623 IonicContact OE1-NZ 3.31Å; E620-K623 PolarHBondContact OE1-NZ 3.45Å; E620-K623 VanDerWaalsContact OE2-CD 3.29Å; E620-K623 WeakPolarHBondContact OE2-CD 3.43Å; E620-K623 IonicContact OE2-NZ 3.38Å; E620-K623 PolarHBondContact OE2-NZ 2.77Å; E620-A624 WeakPolarHBondContact O-CB 3.4Å; E620-A624 PolarHBondContact O-N 2.9Å
621H88.4Confident83.6Confident58 Ų5864.4 Ų64.427%0.26933%0.334SS..Hα-helixtrans-61.9-32.8172.9-84.8-62.6000113.2R610 E617 L625 F740R610-H621 PolarHBondContact NH1-O 3.49Å; E617-H621 PolarHBondContact O-CD2 3.29Å; E617-H621 PolarHBondContact O-N 3.04Å; H621-L625 WeakPolarHBondContact O-CB 3.33Å; H621-L625 PolarHBondContact O-N 2.98Å; H621-F740 HydrophobicContact CB-CE1 4.37Å; H621-F740 HydrophobicContact CB-CZ 4.18Å
622L88.8Confident82.3Confident0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-71.2-43.3174.4179.856.4000111.8K618 I619 E620 A624 L625 I626 M639 L654 I704 F740K618-L622 VanDerWaalsContact O-CB 3.25Å; K618-L622 WeakPolarHBondContact O-CB 3.46Å; K618-L622 PolarHBondContact O-N 3.3Å; I619-L622 PolarHBondContact O-N 3.16Å; E620-L622 PolarHBondContact O-N 3.49Å; L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.97Å; L622-L625 PolarHBondContact O-N 2.9Å; L622-I626 HydrophobicContact CD1-CD1 3.98Å; L622-I626 HydrophobicContact CD1-CG1 4.28Å; L622-I626 HydrophobicContact CG-CD1 4Å; L622-I626 WeakPolarHBondContact O-CB 3.3Å; L622-I626 VanDerWaalsContact O-CG1 3.24Å; L622-I626 WeakPolarHBondContact O-CG1 3.44Å; L622-I626 PolarHBondContact O-N 3.24Å; L622-M639 HydrophobicContact CD1-CE 3.47Å; L622-M639 VanDerWaalsContact CD1-CE 3.47Å; L622-M639 HydrophobicContact CD2-CE 3.57Å; L622-M639 HydrophobicContact CG-CE 4.18Å; L622-L654 HydrophobicContact CD2-CD2 3.79Å; L622-I704 HydrophobicContact CD1-CD1 3.84Å; L622-F740 HydrophobicContact CB-CE2 4.26Å; L622-F740 HydrophobicContact CB-CZ 4.27Å
623K85.3Confident80.8Confident72 Ų7267.4 Ų67.431%0.31336%0.357SS..Hα-helixtrans-57.1-46.7171.1-74.7167.2177.2175.50111.3I619 E620 I626 A627 I657I619-K623 WeakPolarHBondContact O-CG 3.34Å; I619-K623 PolarHBondContact O-N 2.91Å; E620-K623 WeakPolarHBondContact O-CB 3.34Å; E620-K623 PolarHBondContact O-N 3.47Å; E620-K623 IonicContact OE1-NZ 3.31Å; E620-K623 PolarHBondContact OE1-NZ 3.45Å; E620-K623 VanDerWaalsContact OE2-CD 3.29Å; E620-K623 WeakPolarHBondContact OE2-CD 3.43Å; E620-K623 IonicContact OE2-NZ 3.38Å; E620-K623 PolarHBondContact OE2-NZ 2.77Å; K623-I626 PolarHBondContact O-N 3.37Å; K623-A627 WeakPolarHBondContact O-CB 3.34Å; K623-A627 PolarHBondContact O-N 3.26Å; K623-I657 HydrophobicContact CD-CD1 4.37Å; K623-I657 HydrophobicContact CG-CD1 3.72Å
624A86.8Confident79.8Confident38 Ų3870.2 Ų70.231%0.31437%0.366SS..Hα-helixtrans-59.7-48.3176.900000111.5E620 L622 I626 A627 E628E620-A624 WeakPolarHBondContact O-CB 3.4Å; E620-A624 PolarHBondContact O-N 2.9Å; L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.97Å; A624-I626 VanDerWaalsContact C-N 3.3Å; A624-I626 PolarHBondContact O-N 2.78Å; A624-A627 PolarHBondContact O-N 3.41Å; A624-A627 VanDerWaalsContact O-N 3.17Å; A624-E628 WeakPolarHBondContact O-CB 3.41Å; A624-E628 WeakPolarHBondContact O-CG 3.27Å; A624-E628 PolarHBondContact O-N 3.13Å
625L86.1Confident79.3Confident2 Ų267.7 Ų67.71%0.0135%0.351CS..Hα-helixtrans-60.4-36.8177.3-179.163.8000113.1H621 L622 L702 I704 V738H621-L625 WeakPolarHBondContact O-CB 3.33Å; H621-L625 PolarHBondContact O-N 2.98Å; L622-L625 PolarHBondContact O-N 2.9Å; L625-L702 HydrophobicContact CD2-CD2 4.24Å; L625-L702 HydrophobicContact CG-CD2 4.39Å; L625-I704 HydrophobicContact CD2-CD1 3.73Å; L625-I704 HydrophobicContact CD2-CG1 3.98Å; L625-V738 HydrophobicContact CD1-CG2 4.19Å; L625-V738 HydrophobicContact CD2-CB 4.3Å; L625-V738 HydrophobicContact CD2-CG1 4.29Å; L625-V738 HydrophobicContact CD2-CG2 4.07Å
626I81.1Confident79.2Confident31 Ų3165.1 Ų65.116%0.15934%0.34CS..Hα-helixtrans-69.4-43.6175.3-70.3168.1000110.6L622 K623 A624 R629 F632 V659L622-I626 HydrophobicContact CD1-CD1 3.98Å; L622-I626 HydrophobicContact CD1-CG1 4.28Å; L622-I626 HydrophobicContact CG-CD1 4Å; L622-I626 WeakPolarHBondContact O-CB 3.3Å; L622-I626 VanDerWaalsContact O-CG1 3.24Å; L622-I626 WeakPolarHBondContact O-CG1 3.44Å; L622-I626 PolarHBondContact O-N 3.24Å; K623-I626 PolarHBondContact O-N 3.37Å; A624-I626 VanDerWaalsContact C-N 3.3Å; A624-I626 PolarHBondContact O-N 2.78Å; I626-R629 PolarHBondContact O-N 3.44Å; I626-F632 HydrophobicContact CB-CD1 4.47Å; I626-F632 HydrophobicContact CB-CG 4.43Å; I626-F632 HydrophobicContact CD1-CE1 4.26Å; I626-F632 HydrophobicContact CD1-CZ 4.21Å; I626-F632 HydrophobicContact CG1-CD1 4.23Å; I626-F632 HydrophobicContact CG1-CD2 4.17Å; I626-F632 HydrophobicContact CG1-CE1 3.93Å; I626-F632 HydrophobicContact CG1-CE2 3.87Å; I626-F632 HydrophobicContact CG1-CG 4.35Å; I626-F632 HydrophobicContact CG1-CZ 3.75Å; I626-F632 HydrophobicContact CG2-CB 4.41Å; I626-F632 HydrophobicContact CG2-CD1 3.75Å; I626-F632 HydrophobicContact CG2-CE1 4.17Å; I626-F632 HydrophobicContact CG2-CG 4Å; I626-V659 HydrophobicContact CD1-CG1 4.33Å; I626-V659 HydrophobicContact CD1-CG2 4.11Å
627A80Confident79.3Confident83 Ų8360.7 Ų60.769%0.68631%0.311SS*.Hα-helixtrans-72.3-35.4-17900000113.6K623 A624 R629K623-A627 WeakPolarHBondContact O-CB 3.34Å; K623-A627 PolarHBondContact O-N 3.26Å; A624-A627 PolarHBondContact O-N 3.41Å; A624-A627 VanDerWaalsContact O-N 3.17Å; A627-R629 PolarHBondContact O-N 2.94Å
628E78.8Confident79.5Confident125 Ų12556.9 Ų56.958%0.58429%0.294SS*.Hα-helixtrans-59.3-33.4173.8-77.9165.9-179.900111.6R610 A624 R630R610-E628 IonicContact NH2-OE2 2.71Å; R610-E628 PolarHBondContact NH2-OE2 3.5Å; A624-E628 WeakPolarHBondContact O-CB 3.41Å; A624-E628 WeakPolarHBondContact O-CG 3.27Å; A624-E628 PolarHBondContact O-N 3.13Å; E628-R630 PolarHBondContact O-N 3.04Å
629R75.8Confident79.7Confident51 Ų5156.9 Ų56.919%0.19229%0.294CS..  trans-87.494.4-179.2-76.3-171170.7-122.22.1111.7I626 A627 N631 F632 E635I626-R629 PolarHBondContact O-N 3.44Å; A627-R629 PolarHBondContact O-N 2.94Å; R629-N631 PolarHBondContact O-N 2.99Å; R629-F632 HydrophobicContact CB-CB 3.98Å; R629-F632 PolarHBondContact O-N 3.47Å; R629-E635 IonicContact CZ-OE2 2.68Å; R629-E635 IonicContact NH1-OE2 3.23Å; R629-E635 PolarHBondContact NH1-OE2 2.59Å
630R59.6Low80.1Confident247 Ų24756 Ų5693%0.93229%0.289SS*.THydrogen-bonded Turntrans-44.4-28.9175.7-64.7-175.3179.6-175.2-0.5115.3E628E628-R630 PolarHBondContact O-N 3.04Å
631N62.1Low80.4Confident96 Ų9651 Ų5151%0.51327%0.266SS..THydrogen-bonded Turntrans-117.121.7-179.7-76.5-17.5000114.2R629 A633 N634 E635R629-N631 PolarHBondContact O-N 2.99Å; N631-A633 PolarHBondContact O-N 2.65Å; N631-A633 VanDerWaalsContact O-N 3.11Å; N631-N634 PolarHBondContact O-N 3.07Å; N631-E635 HydrophobicContact CB-CG 4.48Å; N631-E635 PolarHBondContact O-N 2.99Å
632F65.9Low80.4Confident19 Ų1950.5 Ų50.58%0.08327%0.269CS..G310 helixtrans-54.3-34.8178.6-171.1-90.3000112.6I626 R629 N634 E635 A637 L684 L702I626-F632 HydrophobicContact CB-CD1 4.47Å; I626-F632 HydrophobicContact CB-CG 4.43Å; I626-F632 HydrophobicContact CD1-CE1 4.26Å; I626-F632 HydrophobicContact CD1-CZ 4.21Å; I626-F632 HydrophobicContact CG1-CD1 4.23Å; I626-F632 HydrophobicContact CG1-CD2 4.17Å; I626-F632 HydrophobicContact CG1-CE1 3.93Å; I626-F632 HydrophobicContact CG1-CE2 3.87Å; I626-F632 HydrophobicContact CG1-CG 4.35Å; I626-F632 HydrophobicContact CG1-CZ 3.75Å; I626-F632 HydrophobicContact CG2-CB 4.41Å; I626-F632 HydrophobicContact CG2-CD1 3.75Å; I626-F632 HydrophobicContact CG2-CE1 4.17Å; I626-F632 HydrophobicContact CG2-CG 4Å; R629-F632 HydrophobicContact CB-CB 3.98Å; R629-F632 PolarHBondContact O-N 3.47Å; F632-N634 PolarHBondContact O-N 2.96Å; F632-E635 PolarHBondContact O-N 3.42Å; F632-A637 HydrophobicContact CE2-CB 3.81Å; F632-A637 HydrophobicContact CZ-CB 4.01Å; F632-L684 HydrophobicContact CZ-CD1 4.47Å; F632-L702 HydrophobicContact CE2-CD2 4.12Å
633A59.8Low80.5Confident71 Ų7153.8 Ų53.859%0.58729%0.286SS*.G310 helixtrans-64.9-1.517400000115N631 S682N631-A633 PolarHBondContact O-N 2.65Å; N631-A633 VanDerWaalsContact O-N 3.11Å; A633-S682 WeakPolarHBondContact O-CA 3.25Å; A633-S682 WeakPolarHBondContact O-CB 3.3Å
634N64.2Low80.8Confident107 Ų10753.1 Ų53.157%0.57229%0.291SS*.G310 helixtrans-133.54.9176.5-68.1-52.5000112.8N631 F632N631-N634 PolarHBondContact O-N 3.07Å; F632-N634 PolarHBondContact O-N 2.96Å
635E75.5Confident81.1Confident54 Ų5455.5 Ų55.525%0.25230%0.302SS..SBendtrans-115.8124.8-174.2-79.9-177.3-164.600111.6R629 N631 F632 A637 P681 P701R629-E635 IonicContact CZ-OE2 2.68Å; R629-E635 IonicContact NH1-OE2 3.23Å; R629-E635 PolarHBondContact NH1-OE2 2.59Å; N631-E635 HydrophobicContact CB-CG 4.48Å; N631-E635 PolarHBondContact O-N 2.99Å; F632-E635 PolarHBondContact O-N 3.42Å; E635-A637 PolarHBondContact O-N 3.3Å; E635-P681 CarbonylContact C-O 3.17Å; E635-P701 HydrophobicContact CB-CG 3.81Å; E635-P701 HydrophobicContact CG-CG 4.02Å
636P82.9Confident81.4Confident17 Ų1756.7 Ų56.711%0.1131%0.307CS..  trans-74.3115-178.124-24.8000110.8W676 P681 P701P636-W676 HydrophobicContact CB-CH2 3.77Å; P636-W676 HydrophobicContact CB-CZ2 3.48Å; P636-W676 VanDerWaalsContact CB-CZ2 3.48Å; P636-P681 WeakPolarHBondContact CA-O 3.43Å; P636-P681 HydrophobicContact CB-CB 3.76Å; P636-P681 HydrophobicContact CG-CB 3.78Å; P636-P701 VanDerWaalsContact O-CD 3.3Å; P636-P701 WeakPolarHBondContact O-CD 3.45Å
637A88.8Confident82.1Confident1 Ų155.2 Ų55.21%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-105.3135.6174.700000110.8F632 E635 L684 L685 L702F632-A637 HydrophobicContact CE2-CB 3.81Å; F632-A637 HydrophobicContact CZ-CB 4.01Å; E635-A637 PolarHBondContact O-N 3.3Å; A637-L684 HydrophobicContact CB-CD1 3.64Å; A637-L685 PolarHBondContact O-N 3.06Å; A637-L702 HydrophobicContact CB-CB 4.23Å; A637-L702 HydrophobicContact CB-CD2 4.14Å; A637-L702 HydrophobicContact CB-CG 4.38Å
638V93.2Very high82.6Confident0 Ų055.8 Ų55.80%029%0.291CS..EExtended strand (participates in β ladder)trans-110.1134.4171.2-177.60000109W676 L685 V687 C697 I700 L702 L703 I704 L721V638-W676 HydrophobicContact CG2-CH2 3.81Å; V638-W676 HydrophobicContact CG2-CZ2 4.37Å; V638-L685 HydrophobicContact CG2-CB 4.44Å; V638-L685 HydrophobicContact CG2-CD2 4.43Å; V638-V687 HydrophobicContact CG1-CG1 4.37Å; V638-V687 HydrophobicContact CG1-CG2 3.88Å; V638-C697 HydrophobicContact CG2-CB 4.28Å; V638-I700 HydrophobicContact CB-CD1 4.26Å; V638-I700 HydrophobicContact CG2-CD1 4.11Å; V638-I700 HydrophobicContact CG2-CG2 3.87Å; V638-L702 PolarHBondContact N-O 3.27Å; V638-L702 VanDerWaalsContact N-O 3.1Å; V638-L703 HydrophobicContact CB-CD1 4.19Å; V638-L703 HydrophobicContact CG1-CD1 4.3Å; V638-L703 CarbonylContact O-C 3.57Å; V638-L703 WeakPolarHBondContact O-CA 3.37Å; V638-I704 PolarHBondContact O-N 3.49Å; V638-L721 HydrophobicContact CB-CD1 4.44Å; V638-L721 HydrophobicContact CG1-CD1 3.88Å
639M94.4Very high83.3Confident0 Ų054.5 Ų54.50%029%0.287CS..EExtended strand (participates in β ladder)trans-122.1123.9176.7179.6179.7-75.700110.2L622 L650 L684 L685 L686 V687 I704 Y706L622-M639 HydrophobicContact CD1-CE 3.47Å; L622-M639 VanDerWaalsContact CD1-CE 3.47Å; L622-M639 HydrophobicContact CD2-CE 3.57Å; L622-M639 HydrophobicContact CG-CE 4.18Å; M639-L650 HydrophobicContact SD-CD2 3.42Å; M639-L650 WeakPolarHBondContact SD-CD2 3.25Å; M639-L650 HydrophobicContact SD-CG 4.43Å; M639-L684 HydrophobicContact CB-CD1 3.93Å; M639-L684 HydrophobicContact CB-CD2 4.42Å; M639-L684 HydrophobicContact CB-CG 4.26Å; M639-L684 HydrophobicContact CE-CD1 4.34Å; M639-L684 HydrophobicContact CE-CD2 3.79Å; M639-L684 HydrophobicContact SD-CD2 4.03Å; M639-L685 PolarHBondContact N-O 2.95Å; M639-L686 HydrophobicContact CB-CD2 3.96Å; M639-L686 HydrophobicContact CG-CD2 4.18Å; M639-L686 WeakPolarHBondContact O-CA 3.47Å; M639-L686 HydrophobicContact SD-CD2 3.67Å; M639-V687 PolarHBondContact O-N 2.98Å; M639-I704 CarbonylContact C-O 3.51Å; M639-I704 VanDerWaalsContact CA-O 3.27Å; M639-I704 WeakPolarHBondContact CA-O 3.37Å; M639-I704 HydrophobicContact CB-CB 4.21Å; M639-I704 HydrophobicContact CE-CB 3.96Å; M639-I704 HydrophobicContact CE-CD1 3.65Å; M639-I704 HydrophobicContact CE-CG1 4.41Å; M639-I704 HydrophobicContact CE-CG2 3.72Å; M639-I704 HydrophobicContact CG-CB 4.12Å; M639-I704 HydrophobicContact CG-CG2 4.28Å; M639-Y706 HydrophobicContact CE-CD2 4.34Å; M639-Y706 HydrophobicContact SD-CD2 3.91Å; M639-Y706 HydrophobicContact SD-CG 4.27Å
640V96.3Very high84Confident0 Ų052.3 Ų52.30%028%0.279CS..EExtended strand (participates in β ladder)trans-103.2117.4-178.7-1650000110V687 V692 L703 I704 Y706 R718 L721V640-V687 WeakPolarHBondContact CA-O 3.41Å; V640-V687 HydrophobicContact CB-CG2 4.24Å; V640-V687 HydrophobicContact CG1-CG2 4.2Å; V640-V687 HydrophobicContact CG2-CG2 3.8Å; V640-V692 HydrophobicContact CG1-CG2 4.35Å; V640-L703 HydrophobicContact CG2-CD1 3.85Å; V640-I704 PolarHBondContact N-O 3.44Å; V640-Y706 PolarHBondContact O-N 2.78Å; V640-Y706 VanDerWaalsContact O-N 3.14Å; V640-R718 HydrophobicContact CB-CG 4.41Å; V640-R718 HydrophobicContact CG1-CG 4.11Å; V640-R718 VanDerWaalsContact CG1-NE 3.33Å; V640-R718 HydrophobicContact CG2-CB 4.47Å; V640-R718 HydrophobicContact CG2-CG 4.23Å; V640-R718 PolarHBondContact O-NH1 3.15Å; V640-L721 HydrophobicContact CG2-CD1 4.46Å
641C94.6Very high85.5Confident0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-96.4162.4171.5-61.80000110.5E646 V647 V687C641-E646 HydrophobicContact CB-CB 4.28Å; C641-E646 HydrophobicContact CB-CG 4.01Å; C641-E646 WeakPolarHBondContact CB-OE2 3.48Å; C641-V647 HydrophobicContact CB-CG2 3.55Å; C641-V687 PolarHBondContact N-O 3.39Å
642S89.4Confident86.9Confident46 Ų4648.6 Ų48.632%0.32226%0.258SS..SBendtrans-70.4-36.1178.364.90000113.2E646S642-E646 WeakPolarHBondContact CB-OE2 3.4Å; S642-E646 PolarHBondContact N-OE2 3.41Å; S642-E646 PolarHBondContact OG-OE2 3.18Å
643N90.1Very high88Confident69 Ų6950.2 Ų50.237%0.36927%0.271SS..SBendtrans-153169.2-174.967.773.9000112.7T645 E646 V647 T688N643-T645 WeakPolarHBondContact OD1-CA 3.25Å; N643-T645 VanDerWaalsContact OD1-CB 3.28Å; N643-T645 WeakPolarHBondContact OD1-CB 3.46Å; N643-T645 PolarHBondContact OD1-N 2.69Å; N643-E646 PolarHBondContact O-N 3.19Å; N643-E646 PolarHBondContact OD1-N 3.06Å; N643-V647 PolarHBondContact O-N 3.33Å; N643-T688 VanDerWaalsContact C-CG2 3.42Å
644S92.2Very high89.2Confident58 Ų5846.8 Ų46.841%0.40624%0.243SC..Hα-helixtrans-69.6-30.4-176.5510000114.1V647 L648S644-V647 PolarHBondContact O-N 3.44Å; S644-L648 WeakPolarHBondContact O-CG 3.41Å; S644-L648 PolarHBondContact O-N 2.71Å; S644-L648 VanDerWaalsContact O-N 3.08Å
645T92.8Very high90.3Very high89 Ų8946.1 Ų46.155%0.54624%0.237SC..Hα-helixtrans-65.2-44.6175.8-52.90000110.9N643 V647 L648 L649N643-T645 WeakPolarHBondContact OD1-CA 3.25Å; N643-T645 VanDerWaalsContact OD1-CB 3.28Å; N643-T645 WeakPolarHBondContact OD1-CB 3.46Å; N643-T645 PolarHBondContact OD1-N 2.69Å; T645-V647 VanDerWaalsContact C-N 3.33Å; T645-V647 PolarHBondContact O-N 3.39Å; T645-L648 PolarHBondContact O-N 3.46Å; T645-L649 HydrophobicContact CG2-CD1 4.31Å; T645-L649 WeakPolarHBondContact O-CG 3.29Å; T645-L649 PolarHBondContact O-N 3.01Å
646E92.8Very high90.9Very high27 Ų2747.8 Ų47.813%0.12626%0.259CS..Hα-helixtrans-58.9-43174.2-176.2175.2-138.600111.4C641 S642 N643 L648 L649 L650 Y706 S707C641-E646 HydrophobicContact CB-CB 4.28Å; C641-E646 HydrophobicContact CB-CG 4.01Å; C641-E646 WeakPolarHBondContact CB-OE2 3.48Å; S642-E646 WeakPolarHBondContact CB-OE2 3.4Å; S642-E646 PolarHBondContact N-OE2 3.41Å; S642-E646 PolarHBondContact OG-OE2 3.18Å; N643-E646 PolarHBondContact O-N 3.19Å; N643-E646 PolarHBondContact OD1-N 3.06Å; E646-L648 PolarHBondContact O-N 2.98Å; E646-L649 PolarHBondContact O-N 3.47Å; E646-L650 WeakPolarHBondContact O-CB 3.47Å; E646-L650 PolarHBondContact O-N 3.39Å; E646-Y706 HydrophobicContact CG-CD1 4.3Å; E646-Y706 HydrophobicContact CG-CE1 4.44Å; E646-Y706 WeakPolarHBondContact OE1-CD1 3.47Å; E646-S707 VanDerWaalsContact OE1-CB 3.26Å; E646-S707 WeakPolarHBondContact OE1-CB 3.22Å; E646-S707 PolarHBondContact OE1-OG 3.46Å
647V94.1Very high90.8Very high0 Ų049.7 Ų49.70%027%0.268CS..Hα-helixtrans-59.2-42.6174.6171.70000112.3C641 N643 S644 T645 R651 I663 V665 L686 T688C641-V647 HydrophobicContact CB-CG2 3.55Å; N643-V647 PolarHBondContact O-N 3.33Å; S644-V647 PolarHBondContact O-N 3.44Å; T645-V647 VanDerWaalsContact C-N 3.33Å; T645-V647 PolarHBondContact O-N 3.39Å; V647-R651 WeakPolarHBondContact O-CB 3.48Å; V647-R651 PolarHBondContact O-N 2.95Å; V647-I663 HydrophobicContact CG1-CB 4.41Å; V647-I663 HydrophobicContact CG1-CD1 3.68Å; V647-I663 HydrophobicContact CG1-CG1 3.73Å; V647-I663 HydrophobicContact CG1-CG2 3.92Å; V647-V665 HydrophobicContact CB-CG1 4.08Å; V647-V665 HydrophobicContact CG1-CG1 3.89Å; V647-V665 HydrophobicContact CG2-CG1 4.13Å; V647-L686 HydrophobicContact CG1-CB 3.69Å; V647-L686 HydrophobicContact CG1-CD1 4.15Å; V647-L686 HydrophobicContact CG2-CB 4.49Å; V647-T688 HydrophobicContact CG2-CG2 4.15Å
648L92.1Very high90.3Very high95 Ų9552.8 Ų52.850%0.49730%0.3SS..Hα-helixtrans-70.1-40.5-179.8-70.6173.1000112.8S644 T645 E646 R652 I663S644-L648 WeakPolarHBondContact O-CG 3.41Å; S644-L648 PolarHBondContact O-N 2.71Å; S644-L648 VanDerWaalsContact O-N 3.08Å; T645-L648 PolarHBondContact O-N 3.46Å; E646-L648 PolarHBondContact O-N 2.98Å; L648-R652 PolarHBondContact O-N 3.08Å; L648-I663 HydrophobicContact CD2-CD1 4.07Å
649L91.8Very high89.7Confident97 Ų9754 Ų5451%0.50831%0.308SS..Hα-helixtrans-64.5-48.3175-69.2173.1000110.6T645 E646 R651 R652 S653T645-L649 HydrophobicContact CG2-CD1 4.31Å; T645-L649 WeakPolarHBondContact O-CG 3.29Å; T645-L649 PolarHBondContact O-N 3.01Å; E646-L649 PolarHBondContact O-N 3.47Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.05Å; L649-R652 WeakPolarHBondContact O-CB 3.2Å; L649-R652 PolarHBondContact O-N 3.16Å; L649-R652 VanDerWaalsContact O-N 3.08Å; L649-S653 PolarHBondContact O-N 3.47Å; L649-S653 VanDerWaalsContact O-N 3.14Å; L649-S653 PolarHBondContact O-OG 2.83Å
650L91.8Very high89Confident5 Ų559.9 Ų59.93%0.02634%0.339CS..Hα-helixtrans-63.2-37.6-179.2-174.752.8000112.4I619 M639 E646 R652 S653 L654 L686 Y706I619-L650 HydrophobicContact CD1-CD1 3.48Å; I619-L650 VanDerWaalsContact CD1-CD1 3.48Å; M639-L650 HydrophobicContact SD-CD2 3.42Å; M639-L650 WeakPolarHBondContact SD-CD2 3.25Å; M639-L650 HydrophobicContact SD-CG 4.43Å; E646-L650 WeakPolarHBondContact O-CB 3.47Å; E646-L650 PolarHBondContact O-N 3.39Å; L650-R652 VanDerWaalsContact C-N 3.31Å; L650-R652 PolarHBondContact O-N 3.05Å; L650-S653 PolarHBondContact O-N 2.71Å; L650-L654 HydrophobicContact CD1-CD1 4.2Å; L650-L654 HydrophobicContact CD1-CG 4.23Å; L650-L654 HydrophobicContact CG-CD1 3.89Å; L650-L654 HydrophobicContact CG-CG 4.42Å; L650-L654 WeakPolarHBondContact O-CB 3.46Å; L650-L654 WeakPolarHBondContact O-CD1 3.44Å; L650-L654 VanDerWaalsContact O-CG 3.25Å; L650-L654 WeakPolarHBondContact O-CG 3.42Å; L650-L654 PolarHBondContact O-N 2.64Å; L650-L686 HydrophobicContact CD2-CD2 4.35Å; L650-Y706 HydrophobicContact CD1-CD2 4.36Å; L650-Y706 HydrophobicContact CD1-CE2 3.71Å; L650-Y706 HydrophobicContact CD2-CD1 3.96Å; L650-Y706 HydrophobicContact CD2-CD2 3.57Å; L650-Y706 HydrophobicContact CD2-CE1 4.13Å; L650-Y706 HydrophobicContact CD2-CE2 3.73Å; L650-Y706 HydrophobicContact CD2-CG 3.69Å; L650-Y706 HydrophobicContact CG-CE2 4.39Å
651R90.8Very high88.5Confident92 Ų9260.2 Ų60.235%0.34734%0.342SS..Hα-helixtrans-56.8-43.5172.1-172.8-168-176.8141.83.7111.9V647 L649 L654 Q655 I663 L686V647-R651 WeakPolarHBondContact O-CB 3.48Å; V647-R651 PolarHBondContact O-N 2.95Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.05Å; R651-L654 PolarHBondContact O-N 2.96Å; R651-Q655 HydrophobicContact CG-CG 4.39Å; R651-Q655 WeakPolarHBondContact O-CB 3.47Å; R651-Q655 VanDerWaalsContact O-CG 3.29Å; R651-Q655 WeakPolarHBondContact O-CG 3.39Å; R651-Q655 PolarHBondContact O-N 2.94Å; R651-I663 HydrophobicContact CB-CD1 4.14Å; R651-I663 HydrophobicContact CG-CD1 4.31Å; R651-L686 HydrophobicContact CB-CD1 4Å
652R90.6Very high88.3Confident174 Ų17462.1 Ų62.166%0.65735%0.351SS*.Hα-helixtrans-64.5-45.2179.4-65.9173.7-176.6174.21.2110.9L648 L649 L650 L654 Q655 A656L648-R652 PolarHBondContact O-N 3.08Å; L649-R652 WeakPolarHBondContact O-CB 3.2Å; L649-R652 PolarHBondContact O-N 3.16Å; L649-R652 VanDerWaalsContact O-N 3.08Å; L650-R652 VanDerWaalsContact C-N 3.31Å; L650-R652 PolarHBondContact O-N 3.05Å; R652-L654 VanDerWaalsContact C-N 3.32Å; R652-L654 PolarHBondContact O-N 2.99Å; R652-Q655 PolarHBondContact O-N 2.79Å; R652-A656 WeakPolarHBondContact O-CB 3.38Å; R652-A656 PolarHBondContact O-N 3.39Å
653S88.9Confident88.4Confident52 Ų5260.7 Ų60.736%0.36434%0.339SS..Hα-helixtrans-60.1-40.9175.4-56.30000112.2L649 L650 A656 I657L649-S653 PolarHBondContact O-N 3.47Å; L649-S653 VanDerWaalsContact O-N 3.14Å; L649-S653 PolarHBondContact O-OG 2.83Å; L650-S653 PolarHBondContact O-N 2.71Å; S653-A656 PolarHBondContact O-N 3.42Å; S653-I657 PolarHBondContact O-N 2.93Å
654L87Confident88.4Confident0 Ų057.4 Ų57.40%032%0.321CS..Hα-helixtrans-66.6-44.1177.1-74.1164.5000112.6L622 L650 R651 R652 A656 I657 G658 V659 A661 L684 L686L622-L654 HydrophobicContact CD2-CD2 3.79Å; L650-L654 HydrophobicContact CD1-CD1 4.2Å; L650-L654 HydrophobicContact CD1-CG 4.23Å; L650-L654 HydrophobicContact CG-CD1 3.89Å; L650-L654 HydrophobicContact CG-CG 4.42Å; L650-L654 WeakPolarHBondContact O-CB 3.46Å; L650-L654 WeakPolarHBondContact O-CD1 3.44Å; L650-L654 VanDerWaalsContact O-CG 3.25Å; L650-L654 WeakPolarHBondContact O-CG 3.42Å; L650-L654 PolarHBondContact O-N 2.64Å; R651-L654 PolarHBondContact O-N 2.96Å; R652-L654 VanDerWaalsContact C-N 3.32Å; R652-L654 PolarHBondContact O-N 2.99Å; L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 2.79Å; L654-I657 HydrophobicContact CD2-CD1 4.32Å; L654-I657 CarbonylContact O-C 3.35Å; L654-I657 WeakPolarHBondContact O-CG1 3.42Å; L654-I657 PolarHBondContact O-N 3.1Å; L654-I657 VanDerWaalsContact O-N 3.13Å; L654-G658 PolarHBondContact O-N 2.89Å; L654-V659 CarbonylContact C-O 3.59Å; L654-V659 HydrophobicContact CB-CB 4.24Å; L654-V659 HydrophobicContact CD2-CB 3.93Å; L654-V659 HydrophobicContact CD2-CG1 3.88Å; L654-V659 PolarHBondContact O-N 2.92Å; L654-A661 HydrophobicContact CD1-CB 4.03Å; L654-L684 HydrophobicContact CD1-CD2 3.77Å; L654-L684 HydrophobicContact CD2-CD2 4.37Å; L654-L686 HydrophobicContact CD1-CD1 4.1Å; L654-L686 HydrophobicContact CD1-CD2 3.99Å
655Q86.9Confident88.3Confident93 Ų9356.6 Ų56.644%0.43531%0.314SS..Hα-helixtrans-61.8-39.3175.5-74.3175.4-43.400111.9R651 R652 I657 G658R651-Q655 HydrophobicContact CG-CG 4.39Å; R651-Q655 WeakPolarHBondContact O-CB 3.47Å; R651-Q655 VanDerWaalsContact O-CG 3.29Å; R651-Q655 WeakPolarHBondContact O-CG 3.39Å; R651-Q655 PolarHBondContact O-N 2.94Å; R652-Q655 PolarHBondContact O-N 2.79Å; Q655-I657 PolarHBondContact O-N 3.1Å; Q655-G658 PolarHBondContact O-N 2.74Å; Q655-G658 VanDerWaalsContact O-N 3.11Å
656A86.7Confident88.1Confident88 Ų8854.9 Ų54.973%0.72731%0.306SS*.Hα-helixtrans-63.5-23.5176.200000113.7R652 S653 L654R652-A656 WeakPolarHBondContact O-CB 3.38Å; R652-A656 PolarHBondContact O-N 3.39Å; S653-A656 PolarHBondContact O-N 3.42Å; L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 2.79Å
657I80.6Confident87.7Confident58 Ų5858.2 Ų58.230%0.29732%0.322SS..THydrogen-bonded Turntrans-103.614.8175.967.9167.7000113I619 K623 S653 L654 Q655 V659I619-I657 HydrophobicContact CG2-CD1 4.2Å; K623-I657 HydrophobicContact CD-CD1 4.37Å; K623-I657 HydrophobicContact CG-CD1 3.72Å; S653-I657 PolarHBondContact O-N 2.93Å; L654-I657 HydrophobicContact CD2-CD1 4.32Å; L654-I657 CarbonylContact O-C 3.35Å; L654-I657 WeakPolarHBondContact O-CG1 3.42Å; L654-I657 PolarHBondContact O-N 3.1Å; L654-I657 VanDerWaalsContact O-N 3.13Å; Q655-I657 PolarHBondContact O-N 3.1Å; I657-V659 VanDerWaalsContact C-N 3.34Å; I657-V659 HydrophobicContact CD1-CG2 4.17Å; I657-V659 HydrophobicContact CG1-CB 4.43Å; I657-V659 HydrophobicContact CG1-CG2 4.06Å; I657-V659 PolarHBondContact O-N 2.86Å
658G79.7Confident87.2Confident66 Ų6662.4 Ų62.468%0.6836%0.356SS*.THydrogen-bonded Turntrans77.79.7176.200000115.7L654 Q655L654-G658 PolarHBondContact O-N 2.89Å; Q655-G658 PolarHBondContact O-N 2.74Å; Q655-G658 VanDerWaalsContact O-N 3.11Å
659V80.1Confident86.8Confident25 Ų2559.1 Ų59.115%0.15234%0.34CS..  trans-94112.8179.4179.30000110.2I626 L654 I657I626-V659 HydrophobicContact CD1-CG1 4.33Å; I626-V659 HydrophobicContact CD1-CG2 4.11Å; L654-V659 CarbonylContact C-O 3.59Å; L654-V659 HydrophobicContact CB-CB 4.24Å; L654-V659 HydrophobicContact CD2-CB 3.93Å; L654-V659 HydrophobicContact CD2-CG1 3.88Å; L654-V659 PolarHBondContact O-N 2.92Å; I657-V659 VanDerWaalsContact C-N 3.34Å; I657-V659 HydrophobicContact CD1-CG2 4.17Å; I657-V659 HydrophobicContact CG1-CB 4.43Å; I657-V659 HydrophobicContact CG1-CG2 4.06Å; I657-V659 PolarHBondContact O-N 2.86Å
660N79.8Confident86.5Confident124 Ų12457.6 Ų57.666%0.66333%0.328SS*.  trans-74.1131.2173.1-76.8-36.3000111.1
661A86.4Confident86.1Confident7 Ų760.9 Ų60.96%0.05835%0.352CS..EExtended strand (participates in β ladder)trans-135.8130.1-178.600000112L654 L684 L686L654-A661 HydrophobicContact CD1-CB 4.03Å; A661-L684 CarbonylContact C-O 3.51Å; A661-L684 VanDerWaalsContact CA-O 3.24Å; A661-L684 WeakPolarHBondContact CA-O 3.42Å; A661-L684 HydrophobicContact CB-CB 4.26Å; A661-L686 HydrophobicContact CB-CD1 4Å; A661-L686 HydrophobicContact CB-CG 4.03Å
662H88.9Confident85.8Confident40 Ų4058.9 Ų58.919%0.18535%0.348CS..EExtended strand (participates in β ladder)trans-85.4156.8172.2-67.5-105.9000109.9W676 Q679 L684 L685 L686H662-W676 HydrophobicContact CB-CB 4.17Å; H662-W676 HydrophobicContact CB-CG 4.43Å; H662-W676 AromaticContact CD2-CD1 3.7Å; H662-Q679 PolarHBondContact CE1-OE1 2.86Å; H662-Q679 VanDerWaalsContact CE1-OE1 3.32Å; H662-L684 PolarHBondContact N-O 2.8Å; H662-L685 HydrophobicContact CB-CD1 3.8Å; H662-L686 PolarHBondContact O-N 2.68Å
663I91.6Very high85.6Confident15 Ų1551 Ų518%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-123134.5-179.4-71.6-175.3000110.4V647 L648 R651 V665 N672 L686V647-I663 HydrophobicContact CG1-CB 4.41Å; V647-I663 HydrophobicContact CG1-CD1 3.68Å; V647-I663 HydrophobicContact CG1-CG1 3.73Å; V647-I663 HydrophobicContact CG1-CG2 3.92Å; L648-I663 HydrophobicContact CD2-CD1 4.07Å; R651-I663 HydrophobicContact CB-CD1 4.14Å; R651-I663 HydrophobicContact CG-CD1 4.31Å; I663-V665 HydrophobicContact CG2-CB 4.5Å; I663-V665 HydrophobicContact CG2-CG1 3.76Å; I663-V665 HydrophobicContact CG2-CG2 4.24Å; I663-N672 WeakPolarHBondContact O-CB 3.5Å; I663-N672 PolarHBondContact O-ND2 3.24Å; I663-L686 WeakPolarHBondContact CA-O 3.32Å; I663-L686 HydrophobicContact CG1-CB 4.39Å; I663-L686 HydrophobicContact CG1-CD1 4.39Å
664C91.2Very high85.2Confident0 Ų051 Ų510%032%0.322CS..EExtended strand (participates in β ladder)trans-135.898.6162-175.30000110.5C669 V673 L685 L686 V687 V691C664-C669 HydrophobicContact CB-CB 4.29Å; C664-V673 HydrophobicContact CB-CG2 3.82Å; C664-L685 HydrophobicContact CB-CD1 4.32Å; C664-L686 PolarHBondContact N-O 2.92Å; C664-V687 HydrophobicContact CB-CG1 4.14Å; C664-V687 WeakPolarHBondContact O-CA 3.23Å; C664-V691 VanDerWaalsContact O-CG2 3.31Å; C664-V691 WeakPolarHBondContact O-CG2 3.49Å
665V90.1Very high85Confident42 Ų4254.5 Ų54.526%0.25534%0.339SS..SBendtrans-106.1-10.7-179.7-66.90000114.1V647 I663 T688V647-V665 HydrophobicContact CB-CG1 4.08Å; V647-V665 HydrophobicContact CG1-CG1 3.89Å; V647-V665 HydrophobicContact CG2-CG1 4.13Å; I663-V665 HydrophobicContact CG2-CB 4.5Å; I663-V665 HydrophobicContact CG2-CG1 3.76Å; I663-V665 HydrophobicContact CG2-CG2 4.24Å; V665-T688 HydrophobicContact CG1-CG2 4.17Å
666S89Confident84.9Confident53 Ų5350.1 Ų50.137%0.37132%0.318SS..SBendtrans-151.8168.3177.870.30000110.7A668 C669S666-A668 PolarHBondContact O-N 2.99Å; S666-C669 WeakPolarHBondContact O-CB 3.25Å; S666-C669 PolarHBondContact O-N 3.41Å
667E83.4Confident84.6Confident97 Ų9749.6 Ų49.645%0.45330%0.303SS..G310 helixtrans-61.4-29179.5-52.9-152.7121.200112.9C669 Y670 R694E667-C669 PolarHBondContact O-N 3.46Å; E667-Y670 HydrophobicContact CB-CD2 3.93Å; E667-Y670 HydrophobicContact CB-CE2 3.51Å; E667-Y670 HydrophobicContact CG-CE2 3.68Å; E667-Y670 WeakPolarHBondContact O-CB 3.28Å; E667-Y670 WeakPolarHBondContact O-CD2 3.39Å; E667-Y670 VanDerWaalsContact O-CG 3.31Å; E667-Y670 PolarHBondContact O-N 3.07Å; E667-Y670 VanDerWaalsContact O-N 3.12Å; E667-Y670 PolarHBondContact OE1-OH 3.15Å; E667-R694 VanDerWaalsContact CD-NH1 3.28Å; E667-R694 WeakPolarHBondContact OE1-CD 3.44Å; E667-R694 IonicContact OE1-CZ 3.88Å; E667-R694 IonicContact OE1-NE 2.68Å; E667-R694 IonicContact OE1-NH1 2.74Å; E667-R694 PolarHBondContact OE1-NH1 3.35Å; E667-R694 IonicContact OE2-NH1 3.7Å; E667-R694 PolarHBondContact OE2-NH1 3.23Å; E667-R694 VanDerWaalsContact OE2-NH1 3.1Å
668A83.6Confident84.4Confident87 Ų8755.1 Ų55.172%0.71932%0.32SS*.G310 helixtrans-62.3-20.7174.200000112.9S666S666-A668 PolarHBondContact O-N 2.99Å
669C84.8Confident83.9Confident26 Ų2656.8 Ų56.818%0.17631%0.31CS..G310 helixtrans-92.77.4177.4-57.30000113.8C664 S666 E667 S671 N672C664-C669 HydrophobicContact CB-CB 4.29Å; S666-C669 WeakPolarHBondContact O-CB 3.25Å; S666-C669 PolarHBondContact O-N 3.41Å; E667-C669 PolarHBondContact O-N 3.46Å; C669-S671 PolarHBondContact O-N 2.87Å; C669-N672 VanDerWaalsContact O-CB 3.26Å; C669-N672 WeakPolarHBondContact O-CB 3.31Å; C669-N672 PolarHBondContact O-N 2.97Å
670Y85.8Confident82.7Confident65 Ų6559 Ų5926%0.25533%0.327SS..Hα-helixtrans-63.7-23.7179-71.3-32.2000113.9E667 N672 V673 A674 V691 R694 L695E667-Y670 HydrophobicContact CB-CD2 3.93Å; E667-Y670 HydrophobicContact CB-CE2 3.51Å; E667-Y670 HydrophobicContact CG-CE2 3.68Å; E667-Y670 WeakPolarHBondContact O-CB 3.28Å; E667-Y670 WeakPolarHBondContact O-CD2 3.39Å; E667-Y670 VanDerWaalsContact O-CG 3.31Å; E667-Y670 PolarHBondContact O-N 3.07Å; E667-Y670 VanDerWaalsContact O-N 3.12Å; E667-Y670 PolarHBondContact OE1-OH 3.15Å; Y670-N672 VanDerWaalsContact C-N 3.26Å; Y670-N672 PolarHBondContact O-N 3.06Å; Y670-V673 WeakPolarHBondContact O-CB 3.38Å; Y670-V673 PolarHBondContact O-N 3.19Å; Y670-A674 PolarHBondContact O-N 2.9Å; Y670-V691 HydrophobicContact CE1-CB 4.14Å; Y670-V691 HydrophobicContact CE1-CG1 4.3Å; Y670-R694 VanDerWaalsContact OH-CB 3.31Å; Y670-R694 WeakPolarHBondContact OH-CB 3.47Å; Y670-L695 HydrophobicContact CD1-CD1 4.18Å; Y670-L695 HydrophobicContact CE1-CD1 3.99Å
671S83.1Confident81.8Confident75 Ų7555.4 Ų55.452%0.52431%0.31SS..Hα-helixtrans-55.5-40.7168.446.50000112.4C669 V673 A674 E675C669-S671 PolarHBondContact O-N 2.87Å; S671-V673 PolarHBondContact O-N 3.28Å; S671-A674 CarbonylContact O-C 3.58Å; S671-A674 PolarHBondContact O-N 2.95Å; S671-A674 VanDerWaalsContact O-N 3.12Å; S671-E675 PolarHBondContact O-N 3.25Å
672N83.4Confident80.4Confident50 Ų5057.8 Ų57.827%0.26733%0.326SS..Hα-helixtrans-63.8-29179.8-55-5.1000111.9I663 C669 Y670 E675 W676I663-N672 WeakPolarHBondContact O-CB 3.5Å; I663-N672 PolarHBondContact O-ND2 3.24Å; C669-N672 VanDerWaalsContact O-CB 3.26Å; C669-N672 WeakPolarHBondContact O-CB 3.31Å; C669-N672 PolarHBondContact O-N 2.97Å; Y670-N672 VanDerWaalsContact C-N 3.26Å; Y670-N672 PolarHBondContact O-N 3.06Å; N672-E675 PolarHBondContact O-N 2.81Å; N672-W676 VanDerWaalsContact O-CB 3.3Å; N672-W676 WeakPolarHBondContact O-CB 3.5Å; N672-W676 PolarHBondContact O-N 3.18Å
673V85.9Confident79.6Confident8 Ų856.2 Ų56.25%0.04832%0.321CS..Hα-helixtrans-72-41.9175.9-171.80000110.2C664 Y670 S671 E675 W676 L677 L685 L695C664-V673 HydrophobicContact CB-CG2 3.82Å; Y670-V673 WeakPolarHBondContact O-CB 3.38Å; Y670-V673 PolarHBondContact O-N 3.19Å; S671-V673 PolarHBondContact O-N 3.28Å; V673-E675 PolarHBondContact O-N 2.83Å; V673-W676 HydrophobicContact CG1-CE3 4.15Å; V673-W676 HydrophobicContact CG1-CZ3 4.48Å; V673-W676 PolarHBondContact O-N 2.86Å; V673-L677 HydrophobicContact CG1-CD1 4.38Å; V673-L677 WeakPolarHBondContact O-CB 3.17Å; V673-L677 VanDerWaalsContact O-CG 3.29Å; V673-L677 WeakPolarHBondContact O-CG 3.3Å; V673-L677 PolarHBondContact O-N 3.31Å; V673-L685 HydrophobicContact CG1-CD2 4.28Å; V673-L685 HydrophobicContact CG2-CD2 4.32Å; V673-L695 HydrophobicContact CG1-CD1 4.46Å; V673-L695 HydrophobicContact CG2-CD1 3.75Å
674A81.6Confident79.4Confident52 Ų5255.5 Ų55.543%0.4332%0.317SS..Hα-helixtrans-71-18174.900000113.2Y670 S671 R678Y670-A674 PolarHBondContact O-N 2.9Å; S671-A674 CarbonylContact O-C 3.58Å; S671-A674 PolarHBondContact O-N 2.95Å; S671-A674 VanDerWaalsContact O-N 3.12Å; A674-R678 WeakPolarHBondContact O-CB 3.21Å; A674-R678 PolarHBondContact O-NH2 2.88Å
675E81.6Confident79.4Confident73 Ų7355.5 Ų55.534%0.34132%0.317SS..Hα-helixtrans-82.4-48.6170.2-175.8176.3-166.700111.6S671 N672 V673 L677 R678 Q679S671-E675 PolarHBondContact O-N 3.25Å; N672-E675 PolarHBondContact O-N 2.81Å; V673-E675 PolarHBondContact O-N 2.83Å; E675-L677 VanDerWaalsContact C-N 3.27Å; E675-L677 PolarHBondContact O-N 3.14Å; E675-R678 WeakPolarHBondContact O-CA 3.47Å; E675-R678 WeakPolarHBondContact O-CB 3.44Å; E675-R678 PolarHBondContact O-N 2.86Å; E675-Q679 HydrophobicContact CG-CG 4.31Å; E675-Q679 VanDerWaalsContact CG-NE2 3.3Å; E675-Q679 PolarHBondContact O-N 2.89Å; E675-Q679 PolarHBondContact OE1-NE2 3.46Å
676W85.7Confident79.6Confident2 Ų253.5 Ų53.51%0.00831%0.305CS..Hα-helixtrans-54.4-40.4173.5169.666.8000112.6P636 V638 H662 N672 V673 R678 G683 L685 C697 I700P636-W676 HydrophobicContact CB-CH2 3.77Å; P636-W676 HydrophobicContact CB-CZ2 3.48Å; P636-W676 VanDerWaalsContact CB-CZ2 3.48Å; V638-W676 HydrophobicContact CG2-CH2 3.81Å; V638-W676 HydrophobicContact CG2-CZ2 4.37Å; H662-W676 HydrophobicContact CB-CB 4.17Å; H662-W676 HydrophobicContact CB-CG 4.43Å; H662-W676 AromaticContact CD2-CD1 3.7Å; N672-W676 VanDerWaalsContact O-CB 3.3Å; N672-W676 WeakPolarHBondContact O-CB 3.5Å; N672-W676 PolarHBondContact O-N 3.18Å; V673-W676 HydrophobicContact CG1-CE3 4.15Å; V673-W676 HydrophobicContact CG1-CZ3 4.48Å; V673-W676 PolarHBondContact O-N 2.86Å; W676-R678 VanDerWaalsContact C-N 3.27Å; W676-R678 PolarHBondContact O-N 3.33Å; W676-G683 PolarHBondContact NE1-O 3.44Å; W676-L685 HydrophobicContact CD2-CB 3.94Å; W676-L685 HydrophobicContact CD2-CD1 4.49Å; W676-L685 HydrophobicContact CD2-CD2 4.3Å; W676-L685 HydrophobicContact CD2-CG 4.46Å; W676-L685 HydrophobicContact CE3-CB 4.28Å; W676-L685 HydrophobicContact CE3-CD2 3.83Å; W676-L685 HydrophobicContact CE3-CG 4.46Å; W676-L685 HydrophobicContact CG-CB 4.46Å; W676-L685 HydrophobicContact CH2-CB 4.2Å; W676-L685 HydrophobicContact CH2-CD2 4.27Å; W676-L685 HydrophobicContact CZ2-CB 3.84Å; W676-L685 HydrophobicContact CZ3-CB 4.42Å; W676-L685 HydrophobicContact CZ3-CD2 3.83Å; W676-C697 HydrophobicContact CH2-CB 4.21Å; W676-C697 HydrophobicContact CZ3-CB 3.91Å; W676-I700 HydrophobicContact CH2-CG2 4.27Å
677L80.7Confident79.9Confident77 Ų7751 Ų5140%0.40329%0.287SS..THydrogen-bonded Turntrans-70-19.5174.3-71.3171.9000114.1V673 E675 C697V673-L677 HydrophobicContact CG1-CD1 4.38Å; V673-L677 WeakPolarHBondContact O-CB 3.17Å; V673-L677 VanDerWaalsContact O-CG 3.29Å; V673-L677 WeakPolarHBondContact O-CG 3.3Å; V673-L677 PolarHBondContact O-N 3.31Å; E675-L677 VanDerWaalsContact C-N 3.27Å; E675-L677 PolarHBondContact O-N 3.14Å; L677-C697 WeakPolarHBondContact CD2-O 3.35Å
678R76.9Confident80.4Confident174 Ų17446.5 Ų46.566%0.65727%0.267SS*.THydrogen-bonded Turntrans-96.7-32.1-173.5-165.5-165.6-43.1131.617.6113.1A674 E675 W676 S680A674-R678 WeakPolarHBondContact O-CB 3.21Å; A674-R678 PolarHBondContact O-NH2 2.88Å; E675-R678 WeakPolarHBondContact O-CA 3.47Å; E675-R678 WeakPolarHBondContact O-CB 3.44Å; E675-R678 PolarHBondContact O-N 2.86Å; W676-R678 VanDerWaalsContact C-N 3.27Å; W676-R678 PolarHBondContact O-N 3.33Å; R678-S680 PolarHBondContact O-N 3.04Å
679Q68.6Low80.9Confident100 Ų10042.7 Ų42.747%0.46723%0.234SC..SBendtrans-76.425.2-175.3-73175.3-8.700113.6H662 E675H662-Q679 PolarHBondContact CE1-OE1 2.86Å; H662-Q679 VanDerWaalsContact CE1-OE1 3.32Å; E675-Q679 HydrophobicContact CG-CG 4.31Å; E675-Q679 VanDerWaalsContact CG-NE2 3.3Å; E675-Q679 PolarHBondContact O-N 2.89Å; E675-Q679 PolarHBondContact OE1-NE2 3.46Å
680S55.7Low81.2Confident72 Ų7246.2 Ų46.250%0.50325%0.252SS..  trans63.4148.6-152-48.40000111.6R678 S682R678-S680 PolarHBondContact O-N 3.04Å; S680-S682 PolarHBondContact O-N 3.07Å; S680-S682 PolarHBondContact O-OG 3.49Å
681P59Low81.5Confident49 Ų4943.2 Ų43.232%0.31824%0.24SC..SBendtrans-74.829.8-177.932.7-37.1000113.4E635 P636 G683E635-P681 CarbonylContact C-O 3.17Å; P636-P681 WeakPolarHBondContact CA-O 3.43Å; P636-P681 HydrophobicContact CB-CB 3.76Å; P636-P681 HydrophobicContact CG-CB 3.78Å; P681-G683 PolarHBondContact O-N 3.08Å
682S57.7Low81.9Confident56 Ų5639.7 Ų39.739%0.39222%0.215SC..  trans-83.174.9-179.255.20000110.8A633 S680A633-S682 WeakPolarHBondContact O-CA 3.25Å; A633-S682 WeakPolarHBondContact O-CB 3.3Å; S680-S682 PolarHBondContact O-N 3.07Å; S680-S682 PolarHBondContact O-OG 3.49Å
683G72.2Confident82.1Confident7 Ų741.2 Ų41.27%0.07223%0.228CC..SBendtrans163166.6174.900000116.1W676 P681W676-G683 PolarHBondContact NE1-O 3.44Å; P681-G683 PolarHBondContact O-N 3.08Å
684L86.6Confident82Confident0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans-89.6129.4-178.1-169.665.5000111.1F632 A637 M639 L654 A661 H662 L686 I704F632-L684 HydrophobicContact CZ-CD1 4.47Å; A637-L684 HydrophobicContact CB-CD1 3.64Å; M639-L684 HydrophobicContact CB-CD1 3.93Å; M639-L684 HydrophobicContact CB-CD2 4.42Å; M639-L684 HydrophobicContact CB-CG 4.26Å; M639-L684 HydrophobicContact CE-CD1 4.34Å; M639-L684 HydrophobicContact CE-CD2 3.79Å; M639-L684 HydrophobicContact SD-CD2 4.03Å; L654-L684 HydrophobicContact CD1-CD2 3.77Å; L654-L684 HydrophobicContact CD2-CD2 4.37Å; A661-L684 CarbonylContact C-O 3.51Å; A661-L684 VanDerWaalsContact CA-O 3.24Å; A661-L684 WeakPolarHBondContact CA-O 3.42Å; A661-L684 HydrophobicContact CB-CB 4.26Å; H662-L684 PolarHBondContact N-O 2.8Å; L684-L686 HydrophobicContact CD2-CD2 3.68Å; L684-L686 HydrophobicContact CG-CD2 3.97Å; L684-I704 HydrophobicContact CD1-CD1 4.37Å
685L91.8Very high82.3Confident0 Ų047.2 Ų47.20%024%0.24CC..EExtended strand (participates in β ladder)trans-99.6112.7169.5-177.869.6000110.1A637 V638 M639 H662 C664 V673 W676 V687 L695A637-L685 PolarHBondContact O-N 3.06Å; V638-L685 HydrophobicContact CG2-CB 4.44Å; V638-L685 HydrophobicContact CG2-CD2 4.43Å; M639-L685 PolarHBondContact N-O 2.95Å; H662-L685 HydrophobicContact CB-CD1 3.8Å; C664-L685 HydrophobicContact CB-CD1 4.32Å; V673-L685 HydrophobicContact CG1-CD2 4.28Å; V673-L685 HydrophobicContact CG2-CD2 4.32Å; W676-L685 HydrophobicContact CD2-CB 3.94Å; W676-L685 HydrophobicContact CD2-CD1 4.49Å; W676-L685 HydrophobicContact CD2-CD2 4.3Å; W676-L685 HydrophobicContact CD2-CG 4.46Å; W676-L685 HydrophobicContact CE3-CB 4.28Å; W676-L685 HydrophobicContact CE3-CD2 3.83Å; W676-L685 HydrophobicContact CE3-CG 4.46Å; W676-L685 HydrophobicContact CG-CB 4.46Å; W676-L685 HydrophobicContact CH2-CB 4.2Å; W676-L685 HydrophobicContact CH2-CD2 4.27Å; W676-L685 HydrophobicContact CZ2-CB 3.84Å; W676-L685 HydrophobicContact CZ3-CB 4.42Å; W676-L685 HydrophobicContact CZ3-CD2 3.83Å; L685-V687 HydrophobicContact CD2-CG1 3.89Å; L685-V687 HydrophobicContact CG-CG1 3.75Å; L685-L695 HydrophobicContact CD2-CD2 4.36Å
686L94.1Very high82.5Confident0 Ų052.3 Ų52.30%026%0.261CS..EExtended strand (participates in β ladder)trans-86.4126.5174.2-52.2178.7000110.3M639 V647 L650 R651 L654 A661 H662 I663 C664 L684M639-L686 HydrophobicContact CB-CD2 3.96Å; M639-L686 HydrophobicContact CG-CD2 4.18Å; M639-L686 WeakPolarHBondContact O-CA 3.47Å; M639-L686 HydrophobicContact SD-CD2 3.67Å; V647-L686 HydrophobicContact CG1-CB 3.69Å; V647-L686 HydrophobicContact CG1-CD1 4.15Å; V647-L686 HydrophobicContact CG2-CB 4.49Å; L650-L686 HydrophobicContact CD2-CD2 4.35Å; R651-L686 HydrophobicContact CB-CD1 4Å; L654-L686 HydrophobicContact CD1-CD1 4.1Å; L654-L686 HydrophobicContact CD1-CD2 3.99Å; A661-L686 HydrophobicContact CB-CD1 4Å; A661-L686 HydrophobicContact CB-CG 4.03Å; H662-L686 PolarHBondContact O-N 2.68Å; I663-L686 WeakPolarHBondContact CA-O 3.32Å; I663-L686 HydrophobicContact CG1-CB 4.39Å; I663-L686 HydrophobicContact CG1-CD1 4.39Å; C664-L686 PolarHBondContact N-O 2.92Å; L684-L686 HydrophobicContact CD2-CD2 3.68Å; L684-L686 HydrophobicContact CG-CD2 3.97Å
687V95.5Very high82.3Confident0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-137.4162.2-178.3-530000112.7V638 M639 V640 C641 C664 L685 V691 V692 L695V638-V687 HydrophobicContact CG1-CG1 4.37Å; V638-V687 HydrophobicContact CG1-CG2 3.88Å; M639-V687 PolarHBondContact O-N 2.98Å; V640-V687 WeakPolarHBondContact CA-O 3.41Å; V640-V687 HydrophobicContact CB-CG2 4.24Å; V640-V687 HydrophobicContact CG1-CG2 4.2Å; V640-V687 HydrophobicContact CG2-CG2 3.8Å; C641-V687 PolarHBondContact N-O 3.39Å; C664-V687 HydrophobicContact CB-CG1 4.14Å; C664-V687 WeakPolarHBondContact O-CA 3.23Å; L685-V687 HydrophobicContact CD2-CG1 3.89Å; L685-V687 HydrophobicContact CG-CG1 3.75Å; V687-V691 HydrophobicContact CB-CG2 3.78Å; V687-V691 HydrophobicContact CG1-CG2 4.29Å; V687-V692 HydrophobicContact CG2-CG2 4.3Å; V687-L695 HydrophobicContact CG1-CD2 3.87Å; V687-L695 HydrophobicContact CG2-CD2 4.46Å
688T94.8Very high82.5Confident3 Ų350.6 Ų50.62%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-102.2162.9165.756.80000111.3N643 V647 V665 D690 V691N643-T688 VanDerWaalsContact C-CG2 3.42Å; V647-T688 HydrophobicContact CG2-CG2 4.15Å; V665-T688 HydrophobicContact CG1-CG2 4.17Å; T688-D690 PolarHBondContact O-N 2.91Å; T688-D690 VanDerWaalsContact O-N 3.1Å; T688-V691 VanDerWaalsContact O-CG2 3.29Å; T688-V691 WeakPolarHBondContact O-CG2 3.37Å; T688-V691 PolarHBondContact O-N 3.45Å
689D93.4Very high82.9Confident7 Ų747.3 Ų47.34%0.03725%0.252CS..THydrogen-bonded Turntrans-57-21174.4-78.7-63.6000114.4A709 R718D689-A709 VanDerWaalsContact OD2-CB 3.24Å; D689-A709 WeakPolarHBondContact OD2-CB 3.43Å; D689-R718 VanDerWaalsContact OD1-CG 3.29Å; D689-R718 WeakPolarHBondContact OD1-CG 3.23Å; D689-R718 IonicContact OD1-CZ 3.79Å; D689-R718 IonicContact OD1-NE 2.82Å; D689-R718 PolarHBondContact OD1-NE 2.89Å; D689-R718 IonicContact OD1-NH2 2.83Å; D689-R718 IonicContact OD2-CZ 3.92Å; D689-R718 IonicContact OD2-NE 3.14Å; D689-R718 PolarHBondContact OD2-NE 2.95Å; D689-R718 IonicContact OD2-NH2 3.33Å; D689-R718 PolarHBondContact OD2-NH2 3.43Å
690D91.3Very high83.8Confident101 Ų10142.6 Ų42.654%0.5423%0.23SC..THydrogen-bonded Turntrans-72.9-32.8-176.7-63.2-60.5000113.5T688 P693 R714T688-D690 PolarHBondContact O-N 2.91Å; T688-D690 VanDerWaalsContact O-N 3.1Å; D690-P693 WeakPolarHBondContact O-CD 3.45Å; D690-R714 IonicContact OD1-CZ 3.1Å; D690-R714 IonicContact OD1-NH1 2.75Å; D690-R714 PolarHBondContact OD1-NH1 3.34Å; D690-R714 VanDerWaalsContact OD1-NH1 3.07Å; D690-R714 IonicContact OD1-NH2 3.63Å; D690-R714 PolarHBondContact OD1-NH2 3.17Å; D690-R714 IonicContact OD2-NH2 2.68Å; D690-R714 PolarHBondContact OD2-NH2 2.89Å
691V92.1Very high85.3Confident2 Ų240.9 Ų40.91%0.01222%0.217CC..THydrogen-bonded Turntrans-84.3-26.2178.9-66.30000112.9C664 Y670 V687 T688 R694 L695C664-V691 VanDerWaalsContact O-CG2 3.31Å; C664-V691 WeakPolarHBondContact O-CG2 3.49Å; Y670-V691 HydrophobicContact CE1-CB 4.14Å; Y670-V691 HydrophobicContact CE1-CG1 4.3Å; V687-V691 HydrophobicContact CB-CG2 3.78Å; V687-V691 HydrophobicContact CG1-CG2 4.29Å; T688-V691 VanDerWaalsContact O-CG2 3.29Å; T688-V691 WeakPolarHBondContact O-CG2 3.37Å; T688-V691 PolarHBondContact O-N 3.45Å; V691-R694 PolarHBondContact O-N 3.49Å; V691-R694 VanDerWaalsContact O-N 3.15Å; V691-L695 HydrophobicContact CG2-CD1 4.47Å; V691-L695 WeakPolarHBondContact O-CB 3.22Å; V691-L695 PolarHBondContact O-N 2.93Å; V691-L695 VanDerWaalsContact O-N 3.07Å
692V91.7Very high86.8Confident1 Ų138.7 Ų38.71%0.00620%0.203CC..G310 helixtrans-46.1-47.7-175.7168.30000114.1V640 V687 R694 L695 N717 L721V640-V692 HydrophobicContact CG1-CG2 4.35Å; V687-V692 HydrophobicContact CG2-CG2 4.3Å; V692-R694 PolarHBondContact O-N 2.98Å; V692-L695 PolarHBondContact O-N 3.47Å; V692-N717 WeakPolarHBondContact CG1-O 3.01Å; V692-L721 HydrophobicContact CG1-CG 4.44Å
693P86.4Confident88.5Confident82 Ų8236 Ų3653%0.53218%0.184SC..G310 helixtrans-61.8-18.2-174.4-20.230.6000115.4D690D690-P693 WeakPolarHBondContact O-CD 3.45Å
694R85.4Confident89.6Confident168 Ų16835.7 Ų35.763%0.63418%0.181SC*.G310 helixtrans-121.3-5-178-72174.4176.1-167.31.5112.9E667 Y670 V691 V692E667-R694 VanDerWaalsContact CD-NH1 3.28Å; E667-R694 WeakPolarHBondContact OE1-CD 3.44Å; E667-R694 IonicContact OE1-CZ 3.88Å; E667-R694 IonicContact OE1-NE 2.68Å; E667-R694 IonicContact OE1-NH1 2.74Å; E667-R694 PolarHBondContact OE1-NH1 3.35Å; E667-R694 IonicContact OE2-NH1 3.7Å; E667-R694 PolarHBondContact OE2-NH1 3.23Å; E667-R694 VanDerWaalsContact OE2-NH1 3.1Å; Y670-R694 VanDerWaalsContact OH-CB 3.31Å; Y670-R694 WeakPolarHBondContact OH-CB 3.47Å; V691-R694 PolarHBondContact O-N 3.49Å; V691-R694 VanDerWaalsContact O-N 3.15Å; V692-R694 PolarHBondContact O-N 2.98Å
695L87.9Confident90.1Very high17 Ų1735.7 Ų35.79%0.08918%0.181CC..  trans-68.4132.3-176.6-162.669.8000111Y670 V673 L685 V687 V691 V692 C697 L721Y670-L695 HydrophobicContact CD1-CD1 4.18Å; Y670-L695 HydrophobicContact CE1-CD1 3.99Å; V673-L695 HydrophobicContact CG1-CD1 4.46Å; V673-L695 HydrophobicContact CG2-CD1 3.75Å; L685-L695 HydrophobicContact CD2-CD2 4.36Å; V687-L695 HydrophobicContact CG1-CD2 3.87Å; V687-L695 HydrophobicContact CG2-CD2 4.46Å; V691-L695 HydrophobicContact CG2-CD1 4.47Å; V691-L695 WeakPolarHBondContact O-CB 3.22Å; V691-L695 PolarHBondContact O-N 2.93Å; V691-L695 VanDerWaalsContact O-N 3.07Å; V692-L695 PolarHBondContact O-N 3.47Å; L695-C697 WeakPolarHBondContact CD2-SG 3.38Å; L695-C697 VanDerWaalsContact CG-SG 3.59Å; L695-L721 HydrophobicContact CB-CD2 4.11Å; L695-L721 HydrophobicContact CD2-CD2 3.9Å; L695-L721 HydrophobicContact CG-CD2 4.39Å
696K84.8Confident90.2Very high180 Ų18036 Ų3678%0.78318%0.182SC*.  trans-118.378.5-178.6-68.8179.5-175.8176.90110.7G698K696-G698 VanDerWaalsContact C-N 3.33Å; K696-G698 PolarHBondContact O-N 2.92Å
697C81.9Confident90.1Very high5 Ų536.9 Ų36.93%0.03419%0.188CC..  trans-80.7-0.6-178.1-66.20000115.4V638 W676 L677 L695 I700V638-C697 HydrophobicContact CG2-CB 4.28Å; W676-C697 HydrophobicContact CH2-CB 4.21Å; W676-C697 HydrophobicContact CZ3-CB 3.91Å; L677-C697 WeakPolarHBondContact CD2-O 3.35Å; L695-C697 WeakPolarHBondContact CD2-SG 3.38Å; L695-C697 VanDerWaalsContact CG-SG 3.59Å; C697-I700 HydrophobicContact CB-CG2 3.79Å
698G83.8Confident90Very high39 Ų3937.5 Ų37.540%0.40219%0.191SC..  trans63.8-149.3-16700000111.1K696 A724K696-G698 VanDerWaalsContact C-N 3.33Å; K696-G698 PolarHBondContact O-N 2.92Å; G698-A724 VanDerWaalsContact C-CB 3.49Å; G698-A724 WeakPolarHBondContact O-CB 3.2Å
699K85.9Confident89.8Confident105 Ų10537.5 Ų37.546%0.45719%0.191SC..  trans-82.8131.3178.5-64.1-172.9177.5-178.10110.7A724 N725 S728K699-A724 WeakPolarHBondContact CE-O 3.44Å; K699-A724 HydrophobicContact CG-CB 4.26Å; K699-N725 VanDerWaalsContact CA-OD1 3.23Å; K699-N725 WeakPolarHBondContact CA-OD1 3.19Å; K699-S728 VanDerWaalsContact NZ-CB 3.31Å; K699-S728 PolarHBondContact NZ-OG 2.86Å
700I87.7Confident89.5Confident0 Ų042.1 Ų42.10%022%0.224CC..  trans-123.6115.5-179.256.1154.5000112.2V638 W676 C697 L702 L703 L721 F722 N725V638-I700 HydrophobicContact CB-CD1 4.26Å; V638-I700 HydrophobicContact CG2-CD1 4.11Å; V638-I700 HydrophobicContact CG2-CG2 3.87Å; W676-I700 HydrophobicContact CH2-CG2 4.27Å; C697-I700 HydrophobicContact CB-CG2 3.79Å; I700-L702 VanDerWaalsContact C-N 3.27Å; I700-L702 PolarHBondContact O-N 3.31Å; I700-L703 HydrophobicContact CD1-CB 4.3Å; I700-L703 HydrophobicContact CD1-CD1 4.45Å; I700-L721 HydrophobicContact CD1-CB 3.62Å; I700-L721 HydrophobicContact CG1-CB 4.43Å; I700-F722 HydrophobicContact CD1-CD1 4.41Å; I700-F722 HydrophobicContact CD1-CE1 4.27Å; I700-F722 HydrophobicContact CG1-CD1 4.12Å; I700-F722 HydrophobicContact CG1-CE1 4.21Å; I700-F722 WeakPolarHBondContact O-CE1 3.46Å; I700-N725 PolarHBondContact N-OD1 3.09Å; I700-N725 PolarHBondContact O-ND2 3.35Å
701P86.9Confident89.5Confident37 Ų3742.6 Ų42.624%0.2423%0.225CC..SBendtrans-70.9-18.4177.527.3-36.6000114.2E635 P636 Q736E635-P701 HydrophobicContact CB-CG 3.81Å; E635-P701 HydrophobicContact CG-CG 4.02Å; P636-P701 VanDerWaalsContact O-CD 3.3Å; P636-P701 WeakPolarHBondContact O-CD 3.45Å; P701-Q736 PolarHBondContact O-N 3.2Å
702L90.2Very high89.5Confident2 Ų245.1 Ų45.11%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-141.1128.5-175.2-177.660.4000112.4L625 F632 A637 V638 I700 I704 Q736 V738L625-L702 HydrophobicContact CD2-CD2 4.24Å; L625-L702 HydrophobicContact CG-CD2 4.39Å; F632-L702 HydrophobicContact CE2-CD2 4.12Å; A637-L702 HydrophobicContact CB-CB 4.23Å; A637-L702 HydrophobicContact CB-CD2 4.14Å; A637-L702 HydrophobicContact CB-CG 4.38Å; V638-L702 PolarHBondContact N-O 3.27Å; V638-L702 VanDerWaalsContact N-O 3.1Å; I700-L702 VanDerWaalsContact C-N 3.27Å; I700-L702 PolarHBondContact O-N 3.31Å; L702-I704 HydrophobicContact CD1-CG1 4.21Å; L702-I704 HydrophobicContact CD2-CD1 3.99Å; L702-I704 HydrophobicContact CD2-CG1 4.18Å; L702-I704 HydrophobicContact CG-CD1 4.29Å; L702-I704 HydrophobicContact CG-CG1 3.95Å; L702-Q736 WeakPolarHBondContact CA-O 3.34Å; L702-Q736 HydrophobicContact CD1-CB 4.24Å; L702-Q736 HydrophobicContact CD1-CG 4.48Å; L702-V738 HydrophobicContact CD1-CG2 3.86Å
703L94.6Very high89.5Confident0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-119.2122.8170.3179.961.9000109.2V638 V640 I700 H705 R718 L721 F722 Q736 S737 V738V638-L703 HydrophobicContact CB-CD1 4.19Å; V638-L703 HydrophobicContact CG1-CD1 4.3Å; V638-L703 CarbonylContact O-C 3.57Å; V638-L703 WeakPolarHBondContact O-CA 3.37Å; V640-L703 HydrophobicContact CG2-CD1 3.85Å; I700-L703 HydrophobicContact CD1-CB 4.3Å; I700-L703 HydrophobicContact CD1-CD1 4.45Å; L703-H705 WeakPolarHBondContact CD2-NE2 3.5Å; L703-R718 HydrophobicContact CD2-CB 4.37Å; L703-L721 HydrophobicContact CD1-CD1 3.7Å; L703-F722 HydrophobicContact CB-CE1 4.31Å; L703-F722 HydrophobicContact CB-CE2 3.77Å; L703-F722 HydrophobicContact CB-CZ 3.43Å; L703-F722 VanDerWaalsContact CB-CZ 3.43Å; L703-F722 HydrophobicContact CD2-CD2 4.31Å; L703-F722 HydrophobicContact CD2-CE2 3.64Å; L703-F722 HydrophobicContact CD2-CZ 4.22Å; L703-F722 HydrophobicContact CG-CE2 4.37Å; L703-F722 HydrophobicContact CG-CZ 4.48Å; L703-Q736 PolarHBondContact N-O 3Å; L703-S737 CarbonylContact O-C 3.58Å; L703-S737 VanDerWaalsContact O-CA 3.32Å; L703-S737 WeakPolarHBondContact O-CA 3.48Å; L703-V738 PolarHBondContact O-N 3.03Å
704I95.1Very high89.8Confident0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-110.7125.5178.8-54.1167.3000109.2L622 L625 V638 M639 V640 L684 L702 V738 F740L622-I704 HydrophobicContact CD1-CD1 3.84Å; L625-I704 HydrophobicContact CD2-CD1 3.73Å; L625-I704 HydrophobicContact CD2-CG1 3.98Å; V638-I704 PolarHBondContact O-N 3.49Å; M639-I704 CarbonylContact C-O 3.51Å; M639-I704 VanDerWaalsContact CA-O 3.27Å; M639-I704 WeakPolarHBondContact CA-O 3.37Å; M639-I704 HydrophobicContact CB-CB 4.21Å; M639-I704 HydrophobicContact CE-CB 3.96Å; M639-I704 HydrophobicContact CE-CD1 3.65Å; M639-I704 HydrophobicContact CE-CG1 4.41Å; M639-I704 HydrophobicContact CE-CG2 3.72Å; M639-I704 HydrophobicContact CG-CB 4.12Å; M639-I704 HydrophobicContact CG-CG2 4.28Å; V640-I704 PolarHBondContact N-O 3.44Å; L684-I704 HydrophobicContact CD1-CD1 4.37Å; L702-I704 HydrophobicContact CD1-CG1 4.21Å; L702-I704 HydrophobicContact CD2-CD1 3.99Å; L702-I704 HydrophobicContact CD2-CG1 4.18Å; L702-I704 HydrophobicContact CG-CD1 4.29Å; L702-I704 HydrophobicContact CG-CG1 3.95Å; I704-V738 CarbonylContact C-O 3.59Å; I704-V738 WeakPolarHBondContact CA-O 3.23Å; I704-F740 HydrophobicContact CG2-CE2 4.39Å; I704-F740 HydrophobicContact CG2-CZ 4.32Å
705H96.2Very high90.2Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-99.689.1174.9-53.9-124.5000106.7L703 S707 F715 R718 F719 S737 V738 V739 F740L703-H705 WeakPolarHBondContact CD2-NE2 3.5Å; H705-S707 VanDerWaalsContact C-N 3.29Å; H705-S707 PolarHBondContact O-N 3.28Å; H705-F715 HydrophobicContact CB-CE2 4.26Å; H705-F715 AromaticContact CE1-CE2 3.91Å; H705-F715 AromaticContact CG-CE2 3.95Å; H705-F715 AromaticContact ND1-CD2 3.72Å; H705-F715 AromaticContact ND1-CE2 3.23Å; H705-F715 WeakPolarHBondContact ND1-CE2 3.15Å; H705-F715 AromaticContact ND1-CZ 3.86Å; H705-R718 WeakPolarHBondContact ND1-CD 3.43Å; H705-F719 AromaticContact CE1-CE2 3.41Å; H705-F719 VanDerWaalsContact CE1-CE2 3.41Å; H705-F719 WeakPolarHBondContact CE1-CE2 3.49Å; H705-F719 AromaticContact CE1-CZ 3.7Å; H705-F719 AromaticContact NE2-CE2 3.94Å; H705-F719 AromaticContact NE2-CZ 3.75Å; H705-S737 PolarHBondContact CD2-OG 3.14Å; H705-S737 PolarHBondContact NE2-OG 3.49Å; H705-V738 PolarHBondContact N-O 2.98Å; H705-V739 HydrophobicContact CB-CB 4.4Å; H705-V739 HydrophobicContact CB-CG1 4.25Å; H705-V739 HydrophobicContact CB-CG2 4.22Å; H705-F740 PolarHBondContact O-N 3.15Å
706Y94.9Very high90.5Very high7 Ų740 Ų403%0.02722%0.218CC..SBendtrans-66.5-33.3-173-173.7-89.9000112.7E615 K618 I619 M639 V640 E646 L650 F740E615-Y706 VanDerWaalsContact OE2-CE1 3.25Å; E615-Y706 WeakPolarHBondContact OE2-CE1 3.29Å; E615-Y706 VanDerWaalsContact OE2-CZ 3.3Å; E615-Y706 PolarHBondContact OE2-OH 3.07Å; K618-Y706 HydrophobicContact CB-CE2 4.01Å; K618-Y706 HydrophobicContact CD-CD1 4.4Å; K618-Y706 HydrophobicContact CD-CE1 3.8Å; K618-Y706 HydrophobicContact CD-CE2 4.01Å; K618-Y706 WeakPolarHBondContact CE-O 3.33Å; K618-Y706 PolarHBondContact NZ-O 2.95Å; I619-Y706 HydrophobicContact CD1-CE2 4.44Å; M639-Y706 HydrophobicContact CE-CD2 4.34Å; M639-Y706 HydrophobicContact SD-CD2 3.91Å; M639-Y706 HydrophobicContact SD-CG 4.27Å; V640-Y706 PolarHBondContact O-N 2.78Å; V640-Y706 VanDerWaalsContact O-N 3.14Å; E646-Y706 HydrophobicContact CG-CD1 4.3Å; E646-Y706 HydrophobicContact CG-CE1 4.44Å; E646-Y706 WeakPolarHBondContact OE1-CD1 3.47Å; L650-Y706 HydrophobicContact CD1-CD2 4.36Å; L650-Y706 HydrophobicContact CD1-CE2 3.71Å; L650-Y706 HydrophobicContact CD2-CD1 3.96Å; L650-Y706 HydrophobicContact CD2-CD2 3.57Å; L650-Y706 HydrophobicContact CD2-CE1 4.13Å; L650-Y706 HydrophobicContact CD2-CE2 3.73Å; L650-Y706 HydrophobicContact CD2-CG 3.69Å; L650-Y706 HydrophobicContact CG-CE2 4.39Å; Y706-F740 AromaticContact CD2-CD2 3.96Å; Y706-F740 HydrophobicContact CD2-CD2 3.96Å; Y706-F740 HydrophobicContact CD2-CE2 4.11Å; Y706-F740 HydrophobicContact CE2-CD2 4.34Å; Y706-F740 HydrophobicContact CE2-CE2 4.39Å
707S92.3Very high90.9Very high18 Ų1833.6 Ų33.613%0.12619%0.192CC..SBendtrans-144151.2170.6-72.40000108.9K618 E646 H705 R718K618-S707 PolarHBondContact NZ-OG 2.84Å; E646-S707 VanDerWaalsContact OE1-CB 3.26Å; E646-S707 WeakPolarHBondContact OE1-CB 3.22Å; E646-S707 PolarHBondContact OE1-OG 3.46Å; H705-S707 VanDerWaalsContact C-N 3.29Å; H705-S707 PolarHBondContact O-N 3.28Å; S707-R718 PolarHBondContact O-NH1 3.4Å; S707-R718 PolarHBondContact O-NH2 2.97Å; S707-R718 VanDerWaalsContact O-NH2 3.11Å
708F92.1Very high91.6Very high13 Ų1333.3 Ų33.36%0.05719%0.191CC..  trans-59.9159.7176.9-79-75.9000112.7F715 V739 A741 D745 N748 L752F708-F715 AromaticContact CD1-CD2 3.79Å; F708-F715 HydrophobicContact CD1-CD2 3.79Å; F708-F715 AromaticContact CD1-CE2 3.8Å; F708-F715 HydrophobicContact CD1-CE2 3.8Å; F708-F715 HydrophobicContact CE1-CD2 4.28Å; F708-F715 AromaticContact CE1-CE2 3.86Å; F708-F715 HydrophobicContact CE1-CE2 3.86Å; F708-F715 HydrophobicContact CE1-CZ 4.24Å; F708-V739 HydrophobicContact CE1-CG1 3.85Å; F708-V739 HydrophobicContact CE2-CG1 4.45Å; F708-V739 HydrophobicContact CZ-CG1 3.76Å; F708-A741 HydrophobicContact CE2-CB 3.58Å; F708-A741 HydrophobicContact CZ-CB 3.91Å; F708-D745 HydrophobicContact CD2-CB 3.73Å; F708-D745 VanDerWaalsContact CD2-CG 3.46Å; F708-D745 WeakPolarHBondContact CD2-OD2 3.27Å; F708-D745 HydrophobicContact CE2-CB 3.64Å; F708-N748 WeakPolarHBondContact CB-ND2 3.39Å; F708-N748 HydrophobicContact CD1-CB 3.63Å; F708-N748 HydrophobicContact CD2-CB 3.98Å; F708-N748 HydrophobicContact CE1-CB 3.63Å; F708-N748 HydrophobicContact CE2-CB 3.95Å; F708-N748 HydrophobicContact CG-CB 3.81Å; F708-N748 HydrophobicContact CZ-CB 3.79Å; F708-L752 HydrophobicContact CE1-CD1 3.77Å; F708-L752 HydrophobicContact CZ-CD1 3.63Å
709A91.2Very high92.1Very high4 Ų431.6 Ų31.63%0.03317%0.172CC..  trans-80.8153.2170.400000110D689 M711 R714 F715D689-A709 VanDerWaalsContact OD2-CB 3.24Å; D689-A709 WeakPolarHBondContact OD2-CB 3.43Å; A709-M711 PolarHBondContact O-N 3.13Å; A709-M711 VanDerWaalsContact O-N 3.09Å; A709-R714 HydrophobicContact CB-CB 3.85Å; A709-F715 HydrophobicContact CB-CB 3.88Å
710S87.2Confident92.4Very high103 Ų10327.5 Ų27.572%0.7216%0.156SC*.SBendtrans-59.6-2017555.80000114.4
711M90.8Very high92.7Very high112 Ų11228 Ų2855%0.55216%0.159SC*.SBendtrans-140.1140.2177.8-66.6-175.1-75.100110.9A709 A713 R714 F715A709-M711 PolarHBondContact O-N 3.13Å; A709-M711 VanDerWaalsContact O-N 3.09Å; M711-A713 PolarHBondContact O-N 2.88Å; M711-R714 HydrophobicContact CB-CG 4.48Å; M711-R714 HydrophobicContact CE-CG 4.15Å; M711-R714 WeakPolarHBondContact O-CB 3.39Å; M711-R714 PolarHBondContact O-N 3.4Å; M711-F715 PolarHBondContact O-N 3.18Å; M711-F715 VanDerWaalsContact O-N 3.07Å
712W92.5Very high92.9Very high54 Ų5426.2 Ų26.221%0.20515%0.148CC..Hα-helixtrans-54.9-36.7177.9-174.9-124.5000113.3L597 R714 F715 K716 K751 L752L597-W712 HydrophobicContact CD2-CH2 4.32Å; L597-W712 HydrophobicContact CD2-CZ2 4.04Å; W712-R714 VanDerWaalsContact C-N 3.34Å; W712-R714 PolarHBondContact O-N 3.26Å; W712-F715 HydrophobicContact CE3-CB 4.23Å; W712-F715 AromaticContact CE3-CD1 3.67Å; W712-F715 HydrophobicContact CE3-CD1 3.67Å; W712-F715 HydrophobicContact CE3-CE1 4.39Å; W712-F715 HydrophobicContact CE3-CG 4.17Å; W712-F715 AromaticContact CH2-CD1 3.79Å; W712-F715 HydrophobicContact CH2-CD1 3.79Å; W712-F715 AromaticContact CH2-CE1 3.77Å; W712-F715 HydrophobicContact CH2-CE1 3.77Å; W712-F715 AromaticContact CZ3-CD1 3.25Å; W712-F715 HydrophobicContact CZ3-CD1 3.25Å; W712-F715 AromaticContact CZ3-CE1 3.52Å; W712-F715 HydrophobicContact CZ3-CE1 3.52Å; W712-F715 HydrophobicContact CZ3-CG 4.05Å; W712-F715 HydrophobicContact CZ3-CZ 4.48Å; W712-F715 PolarHBondContact O-N 2.89Å; W712-K716 HydrophobicContact CD2-CG 4.29Å; W712-K716 HydrophobicContact CZ2-CD 4.19Å; W712-K716 HydrophobicContact CZ2-CG 4.18Å; W712-K716 WeakPolarHBondContact O-CG 3.39Å; W712-K716 PolarHBondContact O-N 3.3Å; W712-K751 HydrophobicContact CB-CD 4.02Å; W712-K751 HydrophobicContact CD2-CB 4.05Å; W712-K751 HydrophobicContact CD2-CD 3.99Å; W712-K751 HydrophobicContact CE3-CB 3.99Å; W712-K751 HydrophobicContact CE3-CD 4.2Å; W712-K751 HydrophobicContact CG-CD 3.9Å; W712-K751 HydrophobicContact CH2-CB 4.08Å; W712-K751 HydrophobicContact CZ2-CB 4.11Å; W712-K751 HydrophobicContact CZ3-CB 4Å; W712-L752 HydrophobicContact CH2-CD2 4.02Å; W712-L752 HydrophobicContact CH2-CG 4.25Å; W712-L752 HydrophobicContact CZ3-CD2 4.44Å; W712-L752 HydrophobicContact CZ3-CG 4.38Å
713A90.9Very high92.9Very high70 Ų7026.5 Ų26.558%0.57915%0.149SC*.Hα-helixtrans-62.2-37.9175.500000112.9M711 N717M711-A713 PolarHBondContact O-N 2.88Å; A713-N717 WeakPolarHBondContact O-CB 3.48Å; A713-N717 PolarHBondContact O-N 3.44Å
714R92.8Very high92.4Very high69 Ų6927.7 Ų27.726%0.2616%0.158SC..Hα-helixtrans-70.5-43.4175.6-69.6177.666.6116.3-11.5110.8D690 A709 M711 W712 K716 N717 R718D690-R714 IonicContact OD1-CZ 3.1Å; D690-R714 IonicContact OD1-NH1 2.75Å; D690-R714 PolarHBondContact OD1-NH1 3.34Å; D690-R714 VanDerWaalsContact OD1-NH1 3.07Å; D690-R714 IonicContact OD1-NH2 3.63Å; D690-R714 PolarHBondContact OD1-NH2 3.17Å; D690-R714 IonicContact OD2-NH2 2.68Å; D690-R714 PolarHBondContact OD2-NH2 2.89Å; A709-R714 HydrophobicContact CB-CB 3.85Å; M711-R714 HydrophobicContact CB-CG 4.48Å; M711-R714 HydrophobicContact CE-CG 4.15Å; M711-R714 WeakPolarHBondContact O-CB 3.39Å; M711-R714 PolarHBondContact O-N 3.4Å; W712-R714 VanDerWaalsContact C-N 3.34Å; W712-R714 PolarHBondContact O-N 3.26Å; R714-K716 PolarHBondContact O-N 3.02Å; R714-N717 WeakPolarHBondContact O-CB 3.5Å; R714-N717 PolarHBondContact O-N 2.95Å; R714-R718 PolarHBondContact O-N 3.45Å
715F95.3Very high92Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-55.4-49.2174.2176.9-94.1000111.9H705 F708 A709 M711 W712 N717 R718 F719 V739 L752H705-F715 HydrophobicContact CB-CE2 4.26Å; H705-F715 AromaticContact CE1-CE2 3.91Å; H705-F715 AromaticContact CG-CE2 3.95Å; H705-F715 AromaticContact ND1-CD2 3.72Å; H705-F715 AromaticContact ND1-CE2 3.23Å; H705-F715 WeakPolarHBondContact ND1-CE2 3.15Å; H705-F715 AromaticContact ND1-CZ 3.86Å; F708-F715 AromaticContact CD1-CD2 3.79Å; F708-F715 HydrophobicContact CD1-CD2 3.79Å; F708-F715 AromaticContact CD1-CE2 3.8Å; F708-F715 HydrophobicContact CD1-CE2 3.8Å; F708-F715 HydrophobicContact CE1-CD2 4.28Å; F708-F715 AromaticContact CE1-CE2 3.86Å; F708-F715 HydrophobicContact CE1-CE2 3.86Å; F708-F715 HydrophobicContact CE1-CZ 4.24Å; A709-F715 HydrophobicContact CB-CB 3.88Å; M711-F715 PolarHBondContact O-N 3.18Å; M711-F715 VanDerWaalsContact O-N 3.07Å; W712-F715 HydrophobicContact CE3-CB 4.23Å; W712-F715 AromaticContact CE3-CD1 3.67Å; W712-F715 HydrophobicContact CE3-CD1 3.67Å; W712-F715 HydrophobicContact CE3-CE1 4.39Å; W712-F715 HydrophobicContact CE3-CG 4.17Å; W712-F715 AromaticContact CH2-CD1 3.79Å; W712-F715 HydrophobicContact CH2-CD1 3.79Å; W712-F715 AromaticContact CH2-CE1 3.77Å; W712-F715 HydrophobicContact CH2-CE1 3.77Å; W712-F715 AromaticContact CZ3-CD1 3.25Å; W712-F715 HydrophobicContact CZ3-CD1 3.25Å; W712-F715 AromaticContact CZ3-CE1 3.52Å; W712-F715 HydrophobicContact CZ3-CE1 3.52Å; W712-F715 HydrophobicContact CZ3-CG 4.05Å; W712-F715 HydrophobicContact CZ3-CZ 4.48Å; W712-F715 PolarHBondContact O-N 2.89Å; F715-N717 VanDerWaalsContact C-N 3.31Å; F715-N717 PolarHBondContact O-N 2.97Å; F715-R718 VanDerWaalsContact O-CB 3.28Å; F715-R718 WeakPolarHBondContact O-CB 3.07Å; F715-R718 WeakPolarHBondContact O-CG 3.36Å; F715-R718 PolarHBondContact O-N 3.41Å; F715-F719 HydrophobicContact CD1-CE2 4.34Å; F715-F719 AromaticContact CE1-CE2 3.79Å; F715-F719 HydrophobicContact CE1-CE2 3.79Å; F715-F719 HydrophobicContact CE1-CZ 4.42Å; F715-F719 HydrophobicContact CZ-CE2 4.05Å; F715-F719 HydrophobicContact CZ-CZ 4.43Å; F715-V739 HydrophobicContact CE2-CG1 4.28Å; F715-V739 HydrophobicContact CE2-CG2 4.26Å; F715-V739 HydrophobicContact CZ-CG1 4.49Å; F715-V739 HydrophobicContact CZ-CG2 3.94Å; F715-L752 HydrophobicContact CE1-CD2 4.17Å; F715-L752 HydrophobicContact CZ-CD2 4.23Å
716K94.6Very high91.2Very high21 Ų2129 Ų299%0.09117%0.165CC..Hα-helixtrans-61.6-38.2175.7-68.1-166.2-65.61780112.2N413 D595 L597 W712 R714 R718 F719N413-K716 PolarHBondContact ND2-NZ 3.18Å; N413-K716 PolarHBondContact OD1-NZ 3.45Å; D595-K716 WeakPolarHBondContact OD2-CD 3.13Å; D595-K716 WeakPolarHBondContact OD2-CE 3.43Å; D595-K716 IonicContact OD2-NZ 3.52Å; D595-K716 PolarHBondContact OD2-NZ 2.93Å; L597-K716 HydrophobicContact CB-CB 4.05Å; L597-K716 HydrophobicContact CB-CD 4.14Å; L597-K716 HydrophobicContact CB-CG 3.92Å; L597-K716 HydrophobicContact CD2-CD 3.96Å; L597-K716 HydrophobicContact CD2-CG 3.78Å; W712-K716 HydrophobicContact CD2-CG 4.29Å; W712-K716 HydrophobicContact CZ2-CD 4.19Å; W712-K716 HydrophobicContact CZ2-CG 4.18Å; W712-K716 WeakPolarHBondContact O-CG 3.39Å; W712-K716 PolarHBondContact O-N 3.3Å; R714-K716 PolarHBondContact O-N 3.02Å; K716-R718 PolarHBondContact O-N 3.43Å; K716-F719 WeakPolarHBondContact O-CB 3.24Å; K716-F719 WeakPolarHBondContact O-CD2 3.48Å; K716-F719 PolarHBondContact O-N 2.87Å; K716-F719 VanDerWaalsContact O-N 3.15Å
717N93.2Very high90.2Very high46 Ų4633 Ų3325%0.24618%0.183CC..Hα-helixtrans-64.5-22.3177.6-169.961000113.9V692 A713 R714 F715 F719 S720V692-N717 WeakPolarHBondContact CG1-O 3.01Å; A713-N717 WeakPolarHBondContact O-CB 3.48Å; A713-N717 PolarHBondContact O-N 3.44Å; R714-N717 WeakPolarHBondContact O-CB 3.5Å; R714-N717 PolarHBondContact O-N 2.95Å; F715-N717 VanDerWaalsContact C-N 3.31Å; F715-N717 PolarHBondContact O-N 2.97Å; N717-F719 PolarHBondContact O-N 2.88Å; N717-S720 VanDerWaalsContact O-CB 3.24Å; N717-S720 WeakPolarHBondContact O-CB 3.38Å; N717-S720 PolarHBondContact O-N 3.49Å; N717-S720 PolarHBondContact O-OG 3.31Å
718R95.2Very high88.7Confident0 Ų034.6 Ų34.60%019%0.194CC..G310 helixtrans-56.1-32.4171.8-61.5177.6178-169.80.3112.8V640 D689 L703 H705 S707 R714 F715 K716 S720 L721V640-R718 HydrophobicContact CB-CG 4.41Å; V640-R718 HydrophobicContact CG1-CG 4.11Å; V640-R718 VanDerWaalsContact CG1-NE 3.33Å; V640-R718 HydrophobicContact CG2-CB 4.47Å; V640-R718 HydrophobicContact CG2-CG 4.23Å; V640-R718 PolarHBondContact O-NH1 3.15Å; D689-R718 VanDerWaalsContact OD1-CG 3.29Å; D689-R718 WeakPolarHBondContact OD1-CG 3.23Å; D689-R718 IonicContact OD1-CZ 3.79Å; D689-R718 IonicContact OD1-NE 2.82Å; D689-R718 PolarHBondContact OD1-NE 2.89Å; D689-R718 IonicContact OD1-NH2 2.83Å; D689-R718 IonicContact OD2-CZ 3.92Å; D689-R718 IonicContact OD2-NE 3.14Å; D689-R718 PolarHBondContact OD2-NE 2.95Å; D689-R718 IonicContact OD2-NH2 3.33Å; D689-R718 PolarHBondContact OD2-NH2 3.43Å; L703-R718 HydrophobicContact CD2-CB 4.37Å; H705-R718 WeakPolarHBondContact ND1-CD 3.43Å; S707-R718 PolarHBondContact O-NH1 3.4Å; S707-R718 PolarHBondContact O-NH2 2.97Å; S707-R718 VanDerWaalsContact O-NH2 3.11Å; R714-R718 PolarHBondContact O-N 3.45Å; F715-R718 VanDerWaalsContact O-CB 3.28Å; F715-R718 WeakPolarHBondContact O-CB 3.07Å; F715-R718 WeakPolarHBondContact O-CG 3.36Å; F715-R718 PolarHBondContact O-N 3.41Å; K716-R718 PolarHBondContact O-N 3.43Å; R718-S720 PolarHBondContact O-N 2.88Å; R718-L721 VanDerWaalsContact O-CG 3.3Å; R718-L721 WeakPolarHBondContact O-CG 3.32Å; R718-L721 PolarHBondContact O-N 3.08Å
719F94.5Very high87Confident3 Ų337.2 Ų37.21%0.01321%0.212CC..G310 helixtrans-69-12.1178-69.2-96.6000113.6A596 L597 S600 L607 H705 F715 K716 N717 L721 F722 S737A596-F719 HydrophobicContact CB-CB 4.04Å; A596-F719 WeakPolarHBondContact O-CB 3.45Å; L597-F719 HydrophobicContact CB-CD2 4.2Å; L597-F719 HydrophobicContact CB-CG 4.37Å; L597-F719 HydrophobicContact CD1-CD1 3.92Å; L597-F719 HydrophobicContact CD1-CD2 3.96Å; L597-F719 HydrophobicContact CD1-CE1 3.71Å; L597-F719 HydrophobicContact CD1-CE2 3.77Å; L597-F719 HydrophobicContact CD1-CG 4.05Å; L597-F719 HydrophobicContact CD1-CZ 3.65Å; S600-F719 WeakPolarHBondContact OG-CB 3.19Å; L607-F719 HydrophobicContact CD1-CE1 4.4Å; L607-F719 HydrophobicContact CD1-CZ 4.1Å; H705-F719 AromaticContact CE1-CE2 3.41Å; H705-F719 VanDerWaalsContact CE1-CE2 3.41Å; H705-F719 WeakPolarHBondContact CE1-CE2 3.49Å; H705-F719 AromaticContact CE1-CZ 3.7Å; H705-F719 AromaticContact NE2-CE2 3.94Å; H705-F719 AromaticContact NE2-CZ 3.75Å; F715-F719 HydrophobicContact CD1-CE2 4.34Å; F715-F719 AromaticContact CE1-CE2 3.79Å; F715-F719 HydrophobicContact CE1-CE2 3.79Å; F715-F719 HydrophobicContact CE1-CZ 4.42Å; F715-F719 HydrophobicContact CZ-CE2 4.05Å; F715-F719 HydrophobicContact CZ-CZ 4.43Å; K716-F719 WeakPolarHBondContact O-CB 3.24Å; K716-F719 WeakPolarHBondContact O-CD2 3.48Å; K716-F719 PolarHBondContact O-N 2.87Å; K716-F719 VanDerWaalsContact O-N 3.15Å; N717-F719 PolarHBondContact O-N 2.88Å; F719-L721 PolarHBondContact O-N 3.33Å; F719-L721 VanDerWaalsContact O-N 3.15Å; F719-F722 HydrophobicContact CD1-CD2 4.13Å; F719-F722 HydrophobicContact CD1-CE2 4.08Å; F719-F722 PolarHBondContact O-N 2.67Å; F719-S737 WeakPolarHBondContact CE1-OG 3.38Å; F719-S737 WeakPolarHBondContact CZ-OG 3.19Å
720S93.3Very high85.2Confident18 Ų1842.9 Ų42.913%0.12625%0.246CC..G310 helixtrans-62.3-20.7174.465.10000112.9N717 R718 F722 Y723N717-S720 VanDerWaalsContact O-CB 3.24Å; N717-S720 WeakPolarHBondContact O-CB 3.38Å; N717-S720 PolarHBondContact O-N 3.49Å; N717-S720 PolarHBondContact O-OG 3.31Å; R718-S720 PolarHBondContact O-N 2.88Å; S720-F722 PolarHBondContact O-N 3.08Å; S720-Y723 WeakPolarHBondContact O-CB 3.44Å; S720-Y723 PolarHBondContact O-N 2.81Å
721L92.5Very high83.5Confident10 Ų1043.3 Ų43.35%0.05225%0.245CC..G310 helixtrans-61.2-26.4173.3-59.9173.7000112.5V638 V640 V692 L695 I700 L703 R718 F719 Y723V638-L721 HydrophobicContact CB-CD1 4.44Å; V638-L721 HydrophobicContact CG1-CD1 3.88Å; V640-L721 HydrophobicContact CG2-CD1 4.46Å; V692-L721 HydrophobicContact CG1-CG 4.44Å; L695-L721 HydrophobicContact CB-CD2 4.11Å; L695-L721 HydrophobicContact CD2-CD2 3.9Å; L695-L721 HydrophobicContact CG-CD2 4.39Å; I700-L721 HydrophobicContact CD1-CB 3.62Å; I700-L721 HydrophobicContact CG1-CB 4.43Å; L703-L721 HydrophobicContact CD1-CD1 3.7Å; R718-L721 VanDerWaalsContact O-CG 3.3Å; R718-L721 WeakPolarHBondContact O-CG 3.32Å; R718-L721 PolarHBondContact O-N 3.08Å; F719-L721 PolarHBondContact O-N 3.33Å; F719-L721 VanDerWaalsContact O-N 3.15Å; L721-Y723 VanDerWaalsContact C-N 3.3Å; L721-Y723 PolarHBondContact O-N 3.24Å
722F91.3Very high81.8Confident0 Ų042.2 Ų42.20%024%0.235CC..G310 helixtrans-77.2-8.7174-67.5-62.8000114.3V605 I700 L703 F719 S720 A724 N725 L726V605-F722 HydrophobicContact CG1-CD2 3.96Å; V605-F722 HydrophobicContact CG1-CE1 4.31Å; V605-F722 HydrophobicContact CG1-CE2 3.61Å; V605-F722 HydrophobicContact CG1-CG 4.45Å; V605-F722 HydrophobicContact CG1-CZ 3.79Å; V605-F722 HydrophobicContact CG2-CB 4.28Å; V605-F722 HydrophobicContact CG2-CD1 4.38Å; V605-F722 HydrophobicContact CG2-CD2 4.15Å; V605-F722 HydrophobicContact CG2-CG 4.03Å; I700-F722 HydrophobicContact CD1-CD1 4.41Å; I700-F722 HydrophobicContact CD1-CE1 4.27Å; I700-F722 HydrophobicContact CG1-CD1 4.12Å; I700-F722 HydrophobicContact CG1-CE1 4.21Å; I700-F722 WeakPolarHBondContact O-CE1 3.46Å; L703-F722 HydrophobicContact CB-CE1 4.31Å; L703-F722 HydrophobicContact CB-CE2 3.77Å; L703-F722 HydrophobicContact CB-CZ 3.43Å; L703-F722 VanDerWaalsContact CB-CZ 3.43Å; L703-F722 HydrophobicContact CD2-CD2 4.31Å; L703-F722 HydrophobicContact CD2-CE2 3.64Å; L703-F722 HydrophobicContact CD2-CZ 4.22Å; L703-F722 HydrophobicContact CG-CE2 4.37Å; L703-F722 HydrophobicContact CG-CZ 4.48Å; F719-F722 HydrophobicContact CD1-CD2 4.13Å; F719-F722 HydrophobicContact CD1-CE2 4.08Å; F719-F722 PolarHBondContact O-N 2.67Å; S720-F722 PolarHBondContact O-N 3.08Å; F722-A724 PolarHBondContact O-N 3.06Å; F722-N725 WeakPolarHBondContact O-CB 3.4Å; F722-N725 PolarHBondContact O-N 2.84Å; F722-L726 WeakPolarHBondContact O-CG 3.37Å; F722-L726 PolarHBondContact O-N 3.31Å
723Y89.8Confident80.1Confident9 Ų943.1 Ų43.14%0.03525%0.247CC..G310 helixtrans-57.4-26.1-177.2-73.2-4.2000113.9N349 G352 L354 A596 A599 S720 L721 L726N349-Y723 HydrophobicContact CB-CD2 3.94Å; N349-Y723 HydrophobicContact CB-CG 4.28Å; G352-Y723 WeakPolarHBondContact O-CE2 3.38Å; G352-Y723 PolarHBondContact O-OH 3.26Å; L354-Y723 HydrophobicContact CB-CD1 3.98Å; L354-Y723 HydrophobicContact CB-CE1 3.72Å; L354-Y723 HydrophobicContact CB-CE2 4.28Å; L354-Y723 HydrophobicContact CB-CG 4.36Å; L354-Y723 HydrophobicContact CD1-CD1 4.05Å; L354-Y723 HydrophobicContact CD1-CG 4.05Å; L354-Y723 HydrophobicContact CD2-CD1 4.48Å; L354-Y723 HydrophobicContact CG-CD1 4.41Å; A596-Y723 HydrophobicContact CB-CE1 3.68Å; A596-Y723 WeakPolarHBondContact CB-OH 3.46Å; A599-Y723 HydrophobicContact CB-CE1 3.94Å; S720-Y723 WeakPolarHBondContact O-CB 3.44Å; S720-Y723 PolarHBondContact O-N 2.81Å; L721-Y723 VanDerWaalsContact C-N 3.3Å; L721-Y723 PolarHBondContact O-N 3.24Å; Y723-L726 HydrophobicContact CD1-CD1 4.28Å
724A85.9Confident79.4Confident24 Ų2440.5 Ų40.520%0.19822%0.224CC..G310 helixtrans-73.7-36.1174.200000112.9G698 K699 F722 L726 K727G698-A724 VanDerWaalsContact C-CB 3.49Å; G698-A724 WeakPolarHBondContact O-CB 3.2Å; K699-A724 WeakPolarHBondContact CE-O 3.44Å; K699-A724 HydrophobicContact CG-CB 4.26Å; F722-A724 PolarHBondContact O-N 3.06Å; A724-L726 VanDerWaalsContact C-N 3.29Å; A724-L726 PolarHBondContact O-N 3.18Å; A724-K727 WeakPolarHBondContact O-CB 3.24Å; A724-K727 PolarHBondContact O-N 3.42Å
725N85.1Confident79.1Confident12 Ų1237.5 Ų37.56%0.06422%0.215CC..G310 helixtrans-63.5-40.9176.6-53.130.8000109.9K699 I700 F722 K727 S728 V734K699-N725 VanDerWaalsContact CA-OD1 3.23Å; K699-N725 WeakPolarHBondContact CA-OD1 3.19Å; I700-N725 PolarHBondContact N-OD1 3.09Å; I700-N725 PolarHBondContact O-ND2 3.35Å; F722-N725 WeakPolarHBondContact O-CB 3.4Å; F722-N725 PolarHBondContact O-N 2.84Å; N725-K727 PolarHBondContact O-N 3.34Å; N725-S728 PolarHBondContact O-N 3.47Å; N725-V734 HydrophobicContact CB-CG1 3.43Å; N725-V734 VanDerWaalsContact CB-CG1 3.43Å; N725-V734 PolarHBondContact ND2-O 3.25Å
726L80.3Confident79Confident16 Ų1638.7 Ų38.78%0.08422%0.221CC..G310 helixtrans-66.4-4.1179.8-58.1171.6000114.4T347 L354 F722 Y723 A724 V734T347-L726 PolarHBondContact OG1-O 2.88Å; L354-L726 HydrophobicContact CD1-CB 4.21Å; L354-L726 HydrophobicContact CD1-CD1 4.41Å; L354-L726 HydrophobicContact CD2-CB 4.22Å; L354-L726 HydrophobicContact CD2-CD1 3.53Å; L354-L726 HydrophobicContact CD2-CG 4.45Å; F722-L726 WeakPolarHBondContact O-CG 3.37Å; F722-L726 PolarHBondContact O-N 3.31Å; Y723-L726 HydrophobicContact CD1-CD1 4.28Å; A724-L726 VanDerWaalsContact C-N 3.29Å; A724-L726 PolarHBondContact O-N 3.18Å; L726-V734 HydrophobicContact CD2-CG1 3.86Å
727K73.8Confident79Confident91 Ų9137.7 Ų37.740%0.39622%0.216SC..G310 helixtrans-82-14.6172.5-58.2-157.4175.1-168.90114.6T347 N349 A724 N725T347-K727 HydrophobicContact CG2-CG 3.91Å; N349-K727 WeakPolarHBondContact OD1-CE 3.05Å; N349-K727 PolarHBondContact OD1-NZ 3.13Å; A724-K727 WeakPolarHBondContact O-CB 3.24Å; A724-K727 PolarHBondContact O-N 3.42Å; N725-K727 PolarHBondContact O-N 3.34Å
728S60.8Low79.1Confident51 Ų5135.5 Ų35.536%0.35720%0.204SC..  trans-149.185178.5-250000110.3K699 N725 T730K699-S728 VanDerWaalsContact NZ-CB 3.31Å; K699-S728 PolarHBondContact NZ-OG 2.86Å; N725-S728 PolarHBondContact O-N 3.47Å; S728-T730 PolarHBondContact O-N 3.46Å
729P56.7Low79.1Confident69 Ų6935.5 Ų35.545%0.44820%0.204SC..  trans-79.837.2-175.134.9-37.7000112.8T731P729-T731 VanDerWaalsContact C-N 3.3Å; P729-T731 PolarHBondContact O-N 3.24Å
730T52.2Low79.1Confident122 Ų12235.4 Ų35.475%0.74820%0.204SC*.SBendtrans-73.8-17.3-171.345.50000114.2S728S728-T730 PolarHBondContact O-N 3.46Å
731T51.2Low79.2Confident113 Ų11334.5 Ų34.569%0.69320%0.198SC*.SBendtrans-142.7151.517448.20000109.9P729P729-T731 VanDerWaalsContact C-N 3.3Å; P729-T731 PolarHBondContact O-N 3.24Å
732R56.6Low79.1Confident89 Ų8936.7 Ų36.734%0.33621%0.207SC..SBendtrans-123.6155.9178.2-79.8-156.5-171.1108.933.4112.2V338 P340 V734V338-R732 PolarHBondContact O-NH1 3.33Å; V338-R732 PolarHBondContact O-NH2 3.46Å; P340-R732 VanDerWaalsContact CD-NH2 3.28Å; R732-V734 HydrophobicContact CG-CG2 4.44Å
733P56.1Low79.1Confident72 Ų7238.4 Ų38.447%0.46822%0.218SC..  cis-69.6157.1-4.629.5-35.6000112.7Q606 G735Q606-P733 HydrophobicContact CG-CB 4.14Å; P733-G735 VanDerWaalsContact C-N 3.3Å; P733-G735 PolarHBondContact O-N 3.02Å
734V76.7Confident79.1Confident16 Ų1642.4 Ų42.410%0.09724%0.244CC..  trans-77.1-20.1-175.5176.90000112.3G603 N725 L726 R732G603-V734 WeakPolarHBondContact O-CB 3.46Å; G603-V734 WeakPolarHBondContact O-CG2 3.26Å; N725-V734 HydrophobicContact CB-CG1 3.43Å; N725-V734 VanDerWaalsContact CB-CG1 3.43Å; N725-V734 PolarHBondContact ND2-O 3.25Å; L726-V734 HydrophobicContact CD2-CG1 3.86Å; R732-V734 HydrophobicContact CG-CG2 4.44Å
735G87Confident79.4Confident6 Ų643.3 Ų43.36%0.06225%0.245CC..  trans172.3172.917400000110.7V605 Q606 P733V605-G735 WeakPolarHBondContact CA-O 3.49Å; Q606-G735 PolarHBondContact N-O 3Å; P733-G735 VanDerWaalsContact C-N 3.3Å; P733-G735 PolarHBondContact O-N 3.02Å
736Q91.3Very high79.7Confident25 Ų2543.5 Ų43.512%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-123.7132.6173.5-171.6-175.413.500110.2Q606 P701 L702 L703 V738Q606-Q736 HydrophobicContact CB-CG 4.29Å; P701-Q736 PolarHBondContact O-N 3.2Å; L702-Q736 WeakPolarHBondContact CA-O 3.34Å; L702-Q736 HydrophobicContact CD1-CB 4.24Å; L702-Q736 HydrophobicContact CD1-CG 4.48Å; L703-Q736 PolarHBondContact N-O 3Å; Q736-V738 HydrophobicContact CG-CG2 4.04Å
737S94.8Very high80.2Confident0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-102.3128.1165.3170.60000108.6Q606 L607 D608 L703 H705 F719Q606-S737 PolarHBondContact O-N 3.32Å; L607-S737 WeakPolarHBondContact CD1-OG 3.29Å; D608-S737 PolarHBondContact N-O 3.3Å; L703-S737 CarbonylContact O-C 3.58Å; L703-S737 VanDerWaalsContact O-CA 3.32Å; L703-S737 WeakPolarHBondContact O-CA 3.48Å; H705-S737 PolarHBondContact CD2-OG 3.14Å; H705-S737 PolarHBondContact NE2-OG 3.49Å; F719-S737 WeakPolarHBondContact CE1-OG 3.38Å; F719-S737 WeakPolarHBondContact CZ-OG 3.19Å
738V95.1Very high81.1Confident0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-118.1122.1174.5-176.50000108.4D608 R610 L625 L702 L703 I704 H705 Q736 F740D608-V738 HydrophobicContact CB-CG2 4.21Å; D608-V738 CarbonylContact O-C 3.51Å; D608-V738 WeakPolarHBondContact O-CA 3.35Å; R610-V738 HydrophobicContact CG-CG1 4.24Å; L625-V738 HydrophobicContact CD1-CG2 4.19Å; L625-V738 HydrophobicContact CD2-CB 4.3Å; L625-V738 HydrophobicContact CD2-CG1 4.29Å; L625-V738 HydrophobicContact CD2-CG2 4.07Å; L702-V738 HydrophobicContact CD1-CG2 3.86Å; L703-V738 PolarHBondContact O-N 3.03Å; I704-V738 CarbonylContact C-O 3.59Å; I704-V738 WeakPolarHBondContact CA-O 3.23Å; H705-V738 PolarHBondContact N-O 2.98Å; Q736-V738 HydrophobicContact CG-CG2 4.04Å; V738-F740 HydrophobicContact CG1-CD1 4.17Å; V738-F740 HydrophobicContact CG1-CE1 3.79Å
739V95.8Very high82.8Confident0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-107.1124.7-179.9-175.20000109.8L607 D608 V609 R610 H705 F708 F715 L752L607-V739 HydrophobicContact CD1-CG2 3.97Å; D608-V739 PolarHBondContact O-N 3.37Å; V609-V739 HydrophobicContact CG1-CB 4.41Å; V609-V739 HydrophobicContact CG2-CB 4.26Å; V609-V739 HydrophobicContact CG2-CG2 4.49Å; R610-V739 PolarHBondContact N-O 2.98Å; H705-V739 HydrophobicContact CB-CB 4.4Å; H705-V739 HydrophobicContact CB-CG1 4.25Å; H705-V739 HydrophobicContact CB-CG2 4.22Å; F708-V739 HydrophobicContact CE1-CG1 3.85Å; F708-V739 HydrophobicContact CE2-CG1 4.45Å; F708-V739 HydrophobicContact CZ-CG1 3.76Å; F715-V739 HydrophobicContact CE2-CG1 4.28Å; F715-V739 HydrophobicContact CE2-CG2 4.26Å; F715-V739 HydrophobicContact CZ-CG1 4.49Å; F715-V739 HydrophobicContact CZ-CG2 3.94Å; V739-L752 HydrophobicContact CG1-CD1 4.42Å
740F95.4Very high84.6Confident0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-92.1115.1167.7-63.8-9.6000108.3R610 K618 H621 L622 I704 H705 Y706 V738R610-F740 HydrophobicContact CB-CD1 4.18Å; R610-F740 WeakPolarHBondContact O-CA 3.4Å; K618-F740 HydrophobicContact CB-CD2 4.09Å; K618-F740 HydrophobicContact CB-CE2 4.33Å; K618-F740 HydrophobicContact CD-CD2 4.19Å; K618-F740 HydrophobicContact CG-CD2 4.01Å; H621-F740 HydrophobicContact CB-CE1 4.37Å; H621-F740 HydrophobicContact CB-CZ 4.18Å; L622-F740 HydrophobicContact CB-CE2 4.26Å; L622-F740 HydrophobicContact CB-CZ 4.27Å; I704-F740 HydrophobicContact CG2-CE2 4.39Å; I704-F740 HydrophobicContact CG2-CZ 4.32Å; H705-F740 PolarHBondContact O-N 3.15Å; Y706-F740 AromaticContact CD2-CD2 3.96Å; Y706-F740 HydrophobicContact CD2-CD2 3.96Å; Y706-F740 HydrophobicContact CD2-CE2 4.11Å; Y706-F740 HydrophobicContact CE2-CD2 4.34Å; Y706-F740 HydrophobicContact CE2-CE2 4.39Å; V738-F740 HydrophobicContact CG1-CD1 4.17Å; V738-F740 HydrophobicContact CG1-CE1 3.79Å
741A94Very high86.6Confident0 Ų035.5 Ų35.50%019%0.189CC..EExtended strand (participates in β ladder)trans-115.4132.6-17800000110.3V609 R610 V611 V612 F708 I749V609-A741 HydrophobicContact CG1-CB 4.16Å; R610-A741 PolarHBondContact O-N 2.96Å; V611-A741 CarbonylContact C-O 3.57Å; V611-A741 VanDerWaalsContact CA-O 3.26Å; V611-A741 WeakPolarHBondContact CA-O 3.41Å; V612-A741 PolarHBondContact N-O 3.09Å; F708-A741 HydrophobicContact CE2-CB 3.58Å; F708-A741 HydrophobicContact CZ-CB 3.91Å; A741-I749 HydrophobicContact CB-CD1 4.46Å; A741-I749 HydrophobicContact CB-CG1 4.31Å
742K91.9Very high88.6Confident55 Ų5530.1 Ų30.124%0.23916%0.156CC..  trans-83.5148.9171.1-60.4-168174.5-172.50110.3V612 E615 T744 D745 I749V612-K742 WeakPolarHBondContact O-CA 3.5Å; E615-K742 WeakPolarHBondContact OE1-CE 3.5Å; E615-K742 IonicContact OE1-NZ 3Å; E615-K742 PolarHBondContact OE1-NZ 2.96Å; K742-T744 WeakPolarHBondContact CB-OG1 3.17Å; K742-T744 PolarHBondContact O-N 3.11Å; K742-D745 WeakPolarHBondContact CB-OD2 3.48Å; K742-D745 PolarHBondContact N-OD2 2.78Å; K742-D745 WeakPolarHBondContact O-CB 3.36Å; K742-D745 PolarHBondContact O-N 2.68Å; K742-I749 WeakPolarHBondContact O-CD1 3.37Å
743P91.1Very high90.4Very high37 Ų3725.9 Ų25.924%0.2414%0.14CC..THydrogen-bonded Turntrans-58.2-11.5170.9-24.233.7000114.5V611 I770 R774V611-P743 HydrophobicContact CG1-CG 3.79Å; P743-I770 HydrophobicContact CB-CG2 4.43Å; P743-R774 PolarHBondContact O-NE 2.72Å; P743-R774 PolarHBondContact O-NH2 2.88Å
744T90.1Very high92.2Very high93 Ų9323.9 Ų23.957%0.57113%0.126SC*.THydrogen-bonded Turntrans-89-12.2173.147.60000114K742 V746K742-T744 WeakPolarHBondContact CB-OG1 3.17Å; K742-T744 PolarHBondContact O-N 3.11Å; T744-V746 PolarHBondContact O-N 2.86Å
745D90.9Very high92.9Very high42 Ų4223.7 Ų23.723%0.22512%0.123CC..  trans-78.237.3-178.6-70.6-50.6000113.1F708 K742 E747 N748 I749F708-D745 HydrophobicContact CD2-CB 3.73Å; F708-D745 VanDerWaalsContact CD2-CG 3.46Å; F708-D745 WeakPolarHBondContact CD2-OD2 3.27Å; F708-D745 HydrophobicContact CE2-CB 3.64Å; K742-D745 WeakPolarHBondContact CB-OD2 3.48Å; K742-D745 PolarHBondContact N-OD2 2.78Å; K742-D745 WeakPolarHBondContact O-CB 3.36Å; K742-D745 PolarHBondContact O-N 2.68Å; D745-E747 VanDerWaalsContact C-N 3.31Å; D745-E747 PolarHBondContact O-N 3.07Å; D745-E747 VanDerWaalsContact O-N 3.15Å; D745-N748 PolarHBondContact O-N 3.1Å; D745-I749 HydrophobicContact CB-CD1 4.4Å; D745-I749 HydrophobicContact CB-CG1 4.36Å; D745-I749 WeakPolarHBondContact O-CG1 3.49Å; D745-I749 PolarHBondContact O-N 2.95Å
746V91.1Very high93.1Very high17 Ų1724.1 Ų24.110%0.10312%0.123CC..Hα-helixtrans-48.7-48.2-168.7-1730000112.7T744 N748 I749 W750 L771 R774T744-V746 PolarHBondContact O-N 2.86Å; V746-N748 VanDerWaalsContact C-N 3.3Å; V746-N748 PolarHBondContact O-N 2.9Å; V746-I749 PolarHBondContact O-N 2.86Å; V746-W750 WeakPolarHBondContact O-CB 3.44Å; V746-W750 PolarHBondContact O-N 3.05Å; V746-L771 HydrophobicContact CG1-CD2 3.8Å; V746-R774 HydrophobicContact CG1-CB 4.37Å; V746-R774 HydrophobicContact CG2-CB 4.07Å; V746-R774 HydrophobicContact CG2-CG 3.69Å
747E92Very high92.9Very high85 Ų8523.7 Ų23.740%0.39712%0.121SC..Hα-helixtrans-60.2-34.3178.5-85.2-82.3158.300113.3D745 K751 H802D745-E747 VanDerWaalsContact C-N 3.31Å; D745-E747 PolarHBondContact O-N 3.07Å; D745-E747 VanDerWaalsContact O-N 3.15Å; E747-K751 WeakPolarHBondContact O-CD 3.35Å; E747-K751 VanDerWaalsContact O-CG 3.26Å; E747-K751 WeakPolarHBondContact O-CG 3.32Å; E747-K751 PolarHBondContact O-NZ 3.4Å; E747-K751 IonicContact OE2-NZ 3.38Å; E747-K751 PolarHBondContact OE2-NZ 3.26Å; E747-H802 IonicContact OE1-CE1 2.68Å; E747-H802 PolarHBondContact OE1-CE1 2.7Å; E747-H802 IonicContact OE1-NE2 3.53Å; E747-H802 IonicContact OE2-CE1 3.84Å; E747-H802 PolarHBondContact OE2-CE1 3.09Å; E747-H802 VanDerWaalsContact OE2-CE1 3.31Å; E747-H802 IonicContact OE2-NE2 2.69Å; E747-H802 PolarHBondContact OE2-NE2 3.14Å
748N93.3Very high92.5Very high26 Ų2628.1 Ų28.114%0.13914%0.141CC..Hα-helixtrans-88.4-35.6179.3-70.5-44.9000111.9F708 D745 V746 W750 K751 L752F708-N748 WeakPolarHBondContact CB-ND2 3.39Å; F708-N748 HydrophobicContact CD1-CB 3.63Å; F708-N748 HydrophobicContact CD2-CB 3.98Å; F708-N748 HydrophobicContact CE1-CB 3.63Å; F708-N748 HydrophobicContact CE2-CB 3.95Å; F708-N748 HydrophobicContact CG-CB 3.81Å; F708-N748 HydrophobicContact CZ-CB 3.79Å; D745-N748 PolarHBondContact O-N 3.1Å; V746-N748 VanDerWaalsContact C-N 3.3Å; V746-N748 PolarHBondContact O-N 2.9Å; N748-W750 VanDerWaalsContact C-N 3.3Å; N748-W750 PolarHBondContact O-N 2.7Å; N748-K751 PolarHBondContact O-N 3.2Å; N748-L752 PolarHBondContact O-N 3.3Å
749I94.9Very high92.1Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-59.2-42.5171.3-68.1174.2000110.2A741 K742 D745 V746 K751 L752 C753 L767 I770 L771A741-I749 HydrophobicContact CB-CD1 4.46Å; A741-I749 HydrophobicContact CB-CG1 4.31Å; K742-I749 WeakPolarHBondContact O-CD1 3.37Å; D745-I749 HydrophobicContact CB-CD1 4.4Å; D745-I749 HydrophobicContact CB-CG1 4.36Å; D745-I749 WeakPolarHBondContact O-CG1 3.49Å; D745-I749 PolarHBondContact O-N 2.95Å; V746-I749 PolarHBondContact O-N 2.86Å; I749-K751 PolarHBondContact O-N 2.98Å; I749-L752 PolarHBondContact O-N 2.88Å; I749-C753 PolarHBondContact O-N 2.68Å; I749-C753 PolarHBondContact O-SG 2.9Å; I749-L767 HydrophobicContact CG2-CB 3.91Å; I749-L767 HydrophobicContact CG2-CD2 4.3Å; I749-I770 HydrophobicContact CD1-CD1 4.46Å; I749-I770 HydrophobicContact CD1-CG2 4.11Å; I749-L771 HydrophobicContact CB-CD2 4.27Å; I749-L771 HydrophobicContact CG2-CD1 4.31Å; I749-L771 HydrophobicContact CG2-CD2 3.96Å; I749-L771 HydrophobicContact CG2-CG 3.97Å
750W94.8Very high91.4Very high25 Ų2533.5 Ų33.510%0.09517%0.165CC..Hα-helixtrans-61.3-44.9176.6-167.499.4000111.6V746 N748 L752 C753 D754 L771 L800 H802 L956V746-W750 WeakPolarHBondContact O-CB 3.44Å; V746-W750 PolarHBondContact O-N 3.05Å; N748-W750 VanDerWaalsContact C-N 3.3Å; N748-W750 PolarHBondContact O-N 2.7Å; W750-L752 VanDerWaalsContact C-N 3.32Å; W750-L752 PolarHBondContact O-N 2.84Å; W750-C753 PolarHBondContact O-N 3.31Å; W750-D754 HydrophobicContact CE3-CB 3.99Å; W750-D754 HydrophobicContact CH2-CB 4.23Å; W750-D754 HydrophobicContact CZ3-CB 3.74Å; W750-D754 WeakPolarHBondContact O-CB 3.39Å; W750-D754 PolarHBondContact O-N 3.44Å; W750-L771 HydrophobicContact CB-CD1 4.25Å; W750-L771 HydrophobicContact CB-CD2 3.89Å; W750-L771 HydrophobicContact CG-CD1 4.39Å; W750-L800 PolarHBondContact NE1-O 3.4Å; W750-H802 HydrophobicContact CD2-CB 4.12Å; W750-H802 AromaticContact CD2-CD2 3.41Å; W750-H802 VanDerWaalsContact CD2-CD2 3.41Å; W750-H802 AromaticContact CE2-CD2 3.96Å; W750-H802 AromaticContact CE3-CD2 3.45Å; W750-H802 VanDerWaalsContact CE3-CD2 3.45Å; W750-H802 AromaticContact CG-CD2 3.7Å; W750-H802 HydrophobicContact CH2-CB 4.27Å; W750-H802 HydrophobicContact CZ2-CB 3.81Å; W750-L956 HydrophobicContact CD2-CD1 3.77Å; W750-L956 VanDerWaalsContact CE2-CD1 3.47Å; W750-L956 HydrophobicContact CE3-CD1 4.39Å; W750-L956 HydrophobicContact CG-CD1 4.11Å; W750-L956 HydrophobicContact CH2-CD1 4.45Å; W750-L956 HydrophobicContact CZ2-CB 3.86Å; W750-L956 HydrophobicContact CZ2-CD1 3.85Å; W750-L956 HydrophobicContact CZ2-CG 4.47Å
751K94.3Very high90.9Very high44 Ų4434.4 Ų34.419%0.19117%0.169CC..Hα-helixtrans-65-33.8178.4-67.2173.5-169.690.80112.4W712 E747 N748 I749 F755W712-K751 HydrophobicContact CB-CD 4.02Å; W712-K751 HydrophobicContact CD2-CB 4.05Å; W712-K751 HydrophobicContact CD2-CD 3.99Å; W712-K751 HydrophobicContact CE3-CB 3.99Å; W712-K751 HydrophobicContact CE3-CD 4.2Å; W712-K751 HydrophobicContact CG-CD 3.9Å; W712-K751 HydrophobicContact CH2-CB 4.08Å; W712-K751 HydrophobicContact CZ2-CB 4.11Å; W712-K751 HydrophobicContact CZ3-CB 4Å; E747-K751 WeakPolarHBondContact O-CD 3.35Å; E747-K751 VanDerWaalsContact O-CG 3.26Å; E747-K751 WeakPolarHBondContact O-CG 3.32Å; E747-K751 PolarHBondContact O-NZ 3.4Å; E747-K751 IonicContact OE2-NZ 3.38Å; E747-K751 PolarHBondContact OE2-NZ 3.26Å; N748-K751 PolarHBondContact O-N 3.2Å; I749-K751 PolarHBondContact O-N 2.98Å; K751-F755 WeakPolarHBondContact O-CB 3.35Å; K751-F755 PolarHBondContact O-N 3.17Å; K751-F755 VanDerWaalsContact O-N 3.11Å
752L94.4Very high90.5Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-67.8-47.5169.8-77170.8000111.7L607 V609 F708 W712 F715 V739 N748 I749 W750 D754 F755 Y756L607-L752 HydrophobicContact CD2-CD2 4.44Å; V609-L752 HydrophobicContact CG1-CD1 4.25Å; V609-L752 HydrophobicContact CG2-CD1 4.17Å; F708-L752 HydrophobicContact CE1-CD1 3.77Å; F708-L752 HydrophobicContact CZ-CD1 3.63Å; W712-L752 HydrophobicContact CH2-CD2 4.02Å; W712-L752 HydrophobicContact CH2-CG 4.25Å; W712-L752 HydrophobicContact CZ3-CD2 4.44Å; W712-L752 HydrophobicContact CZ3-CG 4.38Å; F715-L752 HydrophobicContact CE1-CD2 4.17Å; F715-L752 HydrophobicContact CZ-CD2 4.23Å; V739-L752 HydrophobicContact CG1-CD1 4.42Å; N748-L752 PolarHBondContact O-N 3.3Å; I749-L752 PolarHBondContact O-N 2.88Å; W750-L752 VanDerWaalsContact C-N 3.32Å; W750-L752 PolarHBondContact O-N 2.84Å; L752-D754 VanDerWaalsContact C-N 3.31Å; L752-D754 PolarHBondContact O-N 2.77Å; L752-F755 WeakPolarHBondContact O-CB 3.49Å; L752-F755 PolarHBondContact O-N 3.35Å; L752-F755 VanDerWaalsContact O-N 3.14Å; L752-Y756 VanDerWaalsContact O-CD2 3.29Å; L752-Y756 WeakPolarHBondContact O-CD2 3.31Å; L752-Y756 PolarHBondContact O-N 3.34Å
753C94.3Very high90.3Very high0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-59.7-42.2178.1-67.50000111.9I749 W750 F755 Y756 M757 P764 L767 L768 L771 L956I749-C753 PolarHBondContact O-N 2.68Å; I749-C753 PolarHBondContact O-SG 2.9Å; W750-C753 PolarHBondContact O-N 3.31Å; C753-F755 VanDerWaalsContact C-N 3.33Å; C753-F755 PolarHBondContact O-N 2.79Å; C753-Y756 PolarHBondContact O-N 3.01Å; C753-M757 VanDerWaalsContact O-CG 3.3Å; C753-M757 WeakPolarHBondContact O-CG 3.41Å; C753-M757 PolarHBondContact O-N 3.46Å; C753-P764 HydrophobicContact CB-CG 4.43Å; C753-L767 WeakPolarHBondContact SG-CB 3.42Å; C753-L768 HydrophobicContact CB-CD2 3.86Å; C753-L771 HydrophobicContact CB-CD1 4.14Å; C753-L956 HydrophobicContact CB-CD1 3.8Å; C753-L956 HydrophobicContact CB-CD2 4.2Å
754D92.2Very high90.3Very high31 Ų3136.4 Ų36.417%0.16618%0.181CC..Hα-helixtrans-59.9-44.1174.9175.755.1000111.4W750 L752 K758 L956W750-D754 HydrophobicContact CE3-CB 3.99Å; W750-D754 HydrophobicContact CH2-CB 4.23Å; W750-D754 HydrophobicContact CZ3-CB 3.74Å; W750-D754 WeakPolarHBondContact O-CB 3.39Å; W750-D754 PolarHBondContact O-N 3.44Å; L752-D754 VanDerWaalsContact C-N 3.31Å; L752-D754 PolarHBondContact O-N 2.77Å; D754-K758 WeakPolarHBondContact O-CB 3.34Å; D754-K758 WeakPolarHBondContact O-CD 3.32Å; D754-K758 VanDerWaalsContact O-CG 3.29Å; D754-K758 WeakPolarHBondContact O-CG 3.46Å; D754-K758 PolarHBondContact O-N 3Å; D754-K758 WeakPolarHBondContact OD1-CD 3.18Å; D754-K758 WeakPolarHBondContact OD1-CE 3.06Å; D754-K758 IonicContact OD1-NZ 2.64Å; D754-K758 PolarHBondContact OD1-NZ 3.25Å; D754-K758 IonicContact OD2-NZ 3.48Å; D754-K758 PolarHBondContact OD2-NZ 3.27Å; D754-L956 HydrophobicContact CB-CD1 3.89Å
755F92.2Very high90.3Very high11 Ų1133.9 Ų33.95%0.04817%0.173CC..Hα-helixtrans-62.5-47.3174.9178.3-93.8000112.6L597 V601 L607 K751 L752 C753 M757 K758 H759 L761L597-F755 HydrophobicContact CD1-CE1 4.03Å; L597-F755 HydrophobicContact CD1-CE2 4.1Å; L597-F755 HydrophobicContact CD1-CZ 3.58Å; L597-F755 HydrophobicContact CD2-CD1 4.44Å; L597-F755 HydrophobicContact CD2-CD2 3.67Å; L597-F755 HydrophobicContact CD2-CE1 4.25Å; L597-F755 HydrophobicContact CD2-CE2 3.44Å; L597-F755 VanDerWaalsContact CD2-CE2 3.44Å; L597-F755 HydrophobicContact CD2-CG 4.16Å; L597-F755 HydrophobicContact CD2-CZ 3.75Å; L597-F755 HydrophobicContact CG-CD2 4.17Å; L597-F755 HydrophobicContact CG-CE1 4.23Å; L597-F755 HydrophobicContact CG-CE2 3.41Å; L597-F755 VanDerWaalsContact CG-CE2 3.41Å; L597-F755 HydrophobicContact CG-CZ 3.43Å; L597-F755 VanDerWaalsContact CG-CZ 3.43Å; V601-F755 HydrophobicContact CG2-CE1 4.3Å; V601-F755 HydrophobicContact CG2-CE2 4.25Å; V601-F755 HydrophobicContact CG2-CZ 3.48Å; V601-F755 VanDerWaalsContact CG2-CZ 3.48Å; L607-F755 HydrophobicContact CD2-CD1 4.32Å; L607-F755 HydrophobicContact CD2-CE1 4.06Å; K751-F755 WeakPolarHBondContact O-CB 3.35Å; K751-F755 PolarHBondContact O-N 3.17Å; K751-F755 VanDerWaalsContact O-N 3.11Å; L752-F755 WeakPolarHBondContact O-CB 3.49Å; L752-F755 PolarHBondContact O-N 3.35Å; L752-F755 VanDerWaalsContact O-N 3.14Å; C753-F755 VanDerWaalsContact C-N 3.33Å; C753-F755 PolarHBondContact O-N 2.79Å; F755-M757 PolarHBondContact O-N 3.32Å; F755-K758 PolarHBondContact O-N 3.36Å; F755-H759 AromaticContact CD2-CD2 3.45Å; F755-H759 VanDerWaalsContact CD2-CD2 3.45Å; F755-H759 WeakPolarHBondContact CD2-CD2 3.31Å; F755-H759 AromaticContact CD2-NE2 3.75Å; F755-H759 AromaticContact CE1-CD2 3.97Å; F755-H759 AromaticContact CE2-CD2 3.18Å; F755-H759 WeakPolarHBondContact CE2-CD2 3.46Å; F755-H759 AromaticContact CE2-NE2 3.21Å; F755-H759 WeakPolarHBondContact CE2-NE2 3.46Å; F755-H759 AromaticContact CG-CD2 3.95Å; F755-H759 AromaticContact CZ-CD2 3.48Å; F755-H759 VanDerWaalsContact CZ-CD2 3.48Å; F755-H759 WeakPolarHBondContact CZ-CD2 3.46Å; F755-H759 AromaticContact CZ-NE2 3.76Å; F755-H759 WeakPolarHBondContact O-CB 3.42Å; F755-H759 PolarHBondContact O-CD2 3.39Å; F755-H759 PolarHBondContact O-N 3.41Å; F755-L761 HydrophobicContact CE1-CD1 4.28Å
756Y91.4Very high90.2Very high16 Ų1635.7 Ų35.76%0.06318%0.18CC..Hα-helixtrans-57-49.7176.9-91.3-114.4000111.5L607 V609 L752 C753 K758 H759 K760 L761 P762 P764L607-Y756 HydrophobicContact CD2-CD2 4.41Å; L607-Y756 HydrophobicContact CD2-CE2 3.55Å; L607-Y756 HydrophobicContact CG-CE2 4.12Å; L607-Y756 PolarHBondContact O-OH 2.83Å; L607-Y756 VanDerWaalsContact O-OH 3.13Å; V609-Y756 HydrophobicContact CG2-CE2 4.24Å; L752-Y756 VanDerWaalsContact O-CD2 3.29Å; L752-Y756 WeakPolarHBondContact O-CD2 3.31Å; L752-Y756 PolarHBondContact O-N 3.34Å; C753-Y756 PolarHBondContact O-N 3.01Å; Y756-K758 PolarHBondContact O-N 3.07Å; Y756-H759 PolarHBondContact O-N 3.38Å; Y756-K760 PolarHBondContact O-N 3.33Å; Y756-L761 HydrophobicContact CD1-CB 3.44Å; Y756-L761 VanDerWaalsContact CD1-CB 3.44Å; Y756-L761 HydrophobicContact CD1-CD1 3.98Å; Y756-L761 HydrophobicContact CD1-CG 4.32Å; Y756-L761 HydrophobicContact CD2-CD1 4.18Å; Y756-L761 HydrophobicContact CE1-CB 4.08Å; Y756-L761 HydrophobicContact CE1-CD1 4.18Å; Y756-L761 HydrophobicContact CE2-CD1 4.4Å; Y756-L761 HydrophobicContact CG-CB 3.91Å; Y756-L761 HydrophobicContact CG-CD1 3.98Å; Y756-L761 HydrophobicContact CG-CG 4.46Å; Y756-L761 PolarHBondContact O-N 3.08Å; Y756-P762 WeakPolarHBondContact CD1-O 3.31Å; Y756-P764 HydrophobicContact CD1-CB 4.36Å; Y756-P764 HydrophobicContact CD1-CG 4.26Å; Y756-P764 HydrophobicContact CG-CG 4.23Å
757M87.7Confident90.4Very high15 Ų1535.1 Ų35.17%0.07418%0.177CC..Hα-helixtrans-62.9-43179.4-65.1-61.4-56.500111.9C753 F755 H759 K760 R763 E954 L956C753-M757 VanDerWaalsContact O-CG 3.3Å; C753-M757 WeakPolarHBondContact O-CG 3.41Å; C753-M757 PolarHBondContact O-N 3.46Å; F755-M757 PolarHBondContact O-N 3.32Å; M757-H759 VanDerWaalsContact C-N 3.28Å; M757-H759 PolarHBondContact O-N 2.88Å; M757-K760 PolarHBondContact O-N 3.49Å; M757-R763 HydrophobicContact SD-CB 4.32Å; M757-R763 HydrophobicContact SD-CG 4Å; M757-E954 HydrophobicContact CE-CB 3.92Å; M757-E954 HydrophobicContact CE-CG 4.23Å; M757-L956 HydrophobicContact CG-CD2 4.12Å
758K86.1Confident90.5Very high94 Ų9431.5 Ų31.541%0.40916%0.16SC..Hα-helixtrans-63.3-31.6178.2-80.2166172.9160.80113.7I572 D754 F755 Y756I572-K758 HydrophobicContact CD1-CB 4.43Å; I572-K758 HydrophobicContact CD1-CD 3.95Å; I572-K758 HydrophobicContact CD1-CG 4.33Å; D754-K758 WeakPolarHBondContact O-CB 3.34Å; D754-K758 WeakPolarHBondContact O-CD 3.32Å; D754-K758 VanDerWaalsContact O-CG 3.29Å; D754-K758 WeakPolarHBondContact O-CG 3.46Å; D754-K758 PolarHBondContact O-N 3Å; D754-K758 WeakPolarHBondContact OD1-CD 3.18Å; D754-K758 WeakPolarHBondContact OD1-CE 3.06Å; D754-K758 IonicContact OD1-NZ 2.64Å; D754-K758 PolarHBondContact OD1-NZ 3.25Å; D754-K758 IonicContact OD2-NZ 3.48Å; D754-K758 PolarHBondContact OD2-NZ 3.27Å; F755-K758 PolarHBondContact O-N 3.36Å; Y756-K758 PolarHBondContact O-N 3.07Å
759H86.4Confident90.4Very high16 Ų1631.8 Ų31.87%0.07417%0.169CC..THydrogen-bonded Turntrans-95.97.1-178.7-78.2-68.2000114.6I572 W573 E598 F755 Y756 M757 L761I572-H759 WeakPolarHBondContact CG2-CE1 3.21Å; W573-H759 PolarHBondContact O-CE1 3.02Å; W573-H759 PolarHBondContact O-ND1 2.93Å; E598-H759 IonicContact OE1-CE1 2.65Å; E598-H759 IonicContact OE1-NE2 2.86Å; E598-H759 PolarHBondContact OE1-NE2 2.92Å; E598-H759 IonicContact OE2-CE1 3.41Å; E598-H759 PolarHBondContact OE2-CE1 3.48Å; E598-H759 IonicContact OE2-NE2 3.51Å; E598-H759 PolarHBondContact OE2-NE2 3.27Å; E598-H759 VanDerWaalsContact OE2-NE2 3.14Å; F755-H759 AromaticContact CD2-CD2 3.45Å; F755-H759 VanDerWaalsContact CD2-CD2 3.45Å; F755-H759 WeakPolarHBondContact CD2-CD2 3.31Å; F755-H759 AromaticContact CD2-NE2 3.75Å; F755-H759 AromaticContact CE1-CD2 3.97Å; F755-H759 AromaticContact CE2-CD2 3.18Å; F755-H759 WeakPolarHBondContact CE2-CD2 3.46Å; F755-H759 AromaticContact CE2-NE2 3.21Å; F755-H759 WeakPolarHBondContact CE2-NE2 3.46Å; F755-H759 AromaticContact CG-CD2 3.95Å; F755-H759 AromaticContact CZ-CD2 3.48Å; F755-H759 VanDerWaalsContact CZ-CD2 3.48Å; F755-H759 WeakPolarHBondContact CZ-CD2 3.46Å; F755-H759 AromaticContact CZ-NE2 3.76Å; F755-H759 WeakPolarHBondContact O-CB 3.42Å; F755-H759 PolarHBondContact O-CD2 3.39Å; F755-H759 PolarHBondContact O-N 3.41Å; Y756-H759 PolarHBondContact O-N 3.38Å; M757-H759 VanDerWaalsContact C-N 3.28Å; M757-H759 PolarHBondContact O-N 2.88Å; H759-L761 HydrophobicContact CB-CD1 4.44Å; H759-L761 HydrophobicContact CB-CD2 4.27Å; H759-L761 HydrophobicContact CB-CG 3.94Å; H759-L761 PolarHBondContact O-N 3.08Å
760K81.9Confident90.3Very high97 Ų9732.6 Ų32.642%0.42217%0.173SC..THydrogen-bonded Turntrans54.533.4-174.6-57.2178.9167.4-174.10113.6D576 Y756 M757 R1018D576-K760 WeakPolarHBondContact OD2-CE 3.49Å; D576-K760 IonicContact OD2-NZ 3.44Å; D576-K760 PolarHBondContact OD2-NZ 3.22Å; Y756-K760 PolarHBondContact O-N 3.33Å; M757-K760 PolarHBondContact O-N 3.49Å; K760-R1018 VanDerWaalsContact CE-NH1 3.29Å
761L84.4Confident90.3Very high18 Ų1831.5 Ų31.59%0.09417%0.169CC..PPolyproline II helixtrans-73.7158.5171.4-53.4-171.6000109.3L336 F755 Y756 H759 R763L336-L761 HydrophobicContact CD1-CD1 4.37Å; L336-L761 HydrophobicContact CD1-CD2 4.31Å; L336-L761 HydrophobicContact CD2-CD2 3.58Å; L336-L761 HydrophobicContact CG-CD2 3.84Å; F755-L761 HydrophobicContact CE1-CD1 4.28Å; Y756-L761 HydrophobicContact CD1-CB 3.44Å; Y756-L761 VanDerWaalsContact CD1-CB 3.44Å; Y756-L761 HydrophobicContact CD1-CD1 3.98Å; Y756-L761 HydrophobicContact CD1-CG 4.32Å; Y756-L761 HydrophobicContact CD2-CD1 4.18Å; Y756-L761 HydrophobicContact CE1-CB 4.08Å; Y756-L761 HydrophobicContact CE1-CD1 4.18Å; Y756-L761 HydrophobicContact CE2-CD1 4.4Å; Y756-L761 HydrophobicContact CG-CB 3.91Å; Y756-L761 HydrophobicContact CG-CD1 3.98Å; Y756-L761 HydrophobicContact CG-CG 4.46Å; Y756-L761 PolarHBondContact O-N 3.08Å; H759-L761 HydrophobicContact CB-CD1 4.44Å; H759-L761 HydrophobicContact CB-CD2 4.27Å; H759-L761 HydrophobicContact CB-CG 3.94Å; H759-L761 PolarHBondContact O-N 3.08Å; L761-R763 PolarHBondContact O-N 3.13Å
762P85.9Confident90.2Very high75 Ų7530.6 Ų30.649%0.48717%0.168SC..PPolyproline II helixtrans-47.8127.5174-27.935.7000110.9A334 Y756 P764A334-P762 HydrophobicContact CB-CG 4.05Å; Y756-P762 WeakPolarHBondContact CD1-O 3.31Å; P762-P764 WeakPolarHBondContact O-CD 3.46Å; P762-P764 VanDerWaalsContact O-N 3.14Å
763R87.5Confident90Very high54 Ų5435.9 Ų35.920%0.20419%0.193CC..PPolyproline II helixtrans-59.4116.2-175.7177.6176.4175.387-11.6109.2M757 L761 G765 L768 H1020M757-R763 HydrophobicContact SD-CB 4.32Å; M757-R763 HydrophobicContact SD-CG 4Å; L761-R763 PolarHBondContact O-N 3.13Å; R763-G765 VanDerWaalsContact C-N 3.32Å; R763-G765 PolarHBondContact O-N 3.04Å; R763-L768 HydrophobicContact CG-CD1 3.76Å; R763-L768 VanDerWaalsContact CZ-CD1 3.46Å; R763-H1020 VanDerWaalsContact CD-NE2 3.33Å; R763-H1020 WeakPolarHBondContact CD-NE2 3.45Å; R763-H1020 PolarHBondContact NE-CD2 3.08Å; R763-H1020 PolarHBondContact NE-NE2 2.85Å
764P90.6Very high89.7Confident5 Ų539 Ų393%0.03220%0.204CC..  trans-8079.3-168.732.1-36.2000110.9C753 Y756 P762 H766 L767 L768C753-P764 HydrophobicContact CB-CG 4.43Å; Y756-P764 HydrophobicContact CD1-CB 4.36Å; Y756-P764 HydrophobicContact CD1-CG 4.26Å; Y756-P764 HydrophobicContact CG-CG 4.23Å; P762-P764 WeakPolarHBondContact O-CD 3.46Å; P762-P764 VanDerWaalsContact O-N 3.14Å; P764-H766 VanDerWaalsContact C-N 3.3Å; P764-H766 PolarHBondContact O-N 3.37Å; P764-L767 HydrophobicContact CB-CB 4.1Å; P764-L767 HydrophobicContact CB-CD1 3.91Å; P764-L767 HydrophobicContact CB-CG 4.07Å; P764-L767 HydrophobicContact CG-CB 4.43Å; P764-L767 HydrophobicContact CG-CD1 4.39Å; P764-L767 PolarHBondContact O-N 3.17Å; P764-L767 VanDerWaalsContact O-N 3.1Å; P764-L768 WeakPolarHBondContact O-CG 3.41Å; P764-L768 PolarHBondContact O-N 2.65Å
765G89.6Confident89.4Confident40 Ų4038.2 Ų38.241%0.41220%0.199SC..Hα-helixtrans-55.9-41.5-169.400000113.4R763 L768 G769R763-G765 VanDerWaalsContact C-N 3.32Å; R763-G765 PolarHBondContact O-N 3.04Å; G765-L768 PolarHBondContact O-N 3.37Å; G765-G769 PolarHBondContact O-N 3.18Å
766H90.3Very high89.1Confident81 Ų8141 Ų4138%0.37522%0.215SC..Hα-helixtrans-63.6-43.8177.8-175.8-121.5000112.6P764 L768 G769 I770P764-H766 VanDerWaalsContact C-N 3.3Å; P764-H766 PolarHBondContact O-N 3.37Å; H766-L768 PolarHBondContact O-N 2.67Å; H766-G769 PolarHBondContact O-N 3.13Å; H766-I770 PolarHBondContact O-N 3.42Å; H766-I770 VanDerWaalsContact O-N 3.16Å
767L94.3Very high88.8Confident5 Ų543.3 Ų43.33%0.02623%0.226CC..Hα-helixtrans-65.8-38.2177.9-59.7-173.3000112.1V609 V611 I749 C753 P764 G769 I770 L771V609-L767 HydrophobicContact CB-CD1 4.26Å; V609-L767 HydrophobicContact CG1-CD1 3.97Å; V609-L767 HydrophobicContact CG1-CD2 4.13Å; V611-L767 HydrophobicContact CG2-CD2 3.37Å; I749-L767 HydrophobicContact CG2-CB 3.91Å; I749-L767 HydrophobicContact CG2-CD2 4.3Å; C753-L767 WeakPolarHBondContact SG-CB 3.42Å; P764-L767 HydrophobicContact CB-CB 4.1Å; P764-L767 HydrophobicContact CB-CD1 3.91Å; P764-L767 HydrophobicContact CB-CG 4.07Å; P764-L767 HydrophobicContact CG-CB 4.43Å; P764-L767 HydrophobicContact CG-CD1 4.39Å; P764-L767 PolarHBondContact O-N 3.17Å; P764-L767 VanDerWaalsContact O-N 3.1Å; L767-G769 VanDerWaalsContact C-N 3.3Å; L767-I770 HydrophobicContact CD2-CD1 4.41Å; L767-I770 PolarHBondContact O-N 2.8Å; L767-L771 WeakPolarHBondContact O-CG 3.41Å; L767-L771 PolarHBondContact O-N 3.12Å
768L93.5Very high88.4Confident9 Ų946.4 Ų46.45%0.04724%0.24CC..Hα-helixtrans-65-35.7173.8-62.5-180000111.8C753 R763 P764 G765 H766 L771 S772 L800 L956C753-L768 HydrophobicContact CB-CD2 3.86Å; R763-L768 HydrophobicContact CG-CD1 3.76Å; R763-L768 VanDerWaalsContact CZ-CD1 3.46Å; P764-L768 WeakPolarHBondContact O-CG 3.41Å; P764-L768 PolarHBondContact O-N 2.65Å; G765-L768 PolarHBondContact O-N 3.37Å; H766-L768 PolarHBondContact O-N 2.67Å; L768-L771 HydrophobicContact CD2-CD1 4.23Å; L768-L771 PolarHBondContact O-N 3.43Å; L768-S772 PolarHBondContact O-N 2.9Å; L768-S772 PolarHBondContact O-OG 2.91Å; L768-L800 HydrophobicContact CB-CD2 4.23Å; L768-L800 HydrophobicContact CD2-CD1 4.2Å; L768-L800 HydrophobicContact CD2-CD2 4.31Å; L768-L956 HydrophobicContact CD2-CD2 3.64Å
769G92.6Very high87.9Confident32 Ų3243.2 Ų43.233%0.3323%0.227SC..Hα-helixtrans-54.8-53.7171.200000112G765 H766 L767 L771 S772 Q773G765-G769 PolarHBondContact O-N 3.18Å; H766-G769 PolarHBondContact O-N 3.13Å; L767-G769 VanDerWaalsContact C-N 3.3Å; G769-L771 VanDerWaalsContact C-N 3.32Å; G769-L771 PolarHBondContact O-N 3.45Å; G769-S772 PolarHBondContact O-N 2.67Å; G769-S772 PolarHBondContact O-OG 3.38Å; G769-Q773 PolarHBondContact O-N 3.13Å
770I93.1Very high87.2Confident17 Ų1748.7 Ų48.79%0.08725%0.252CS..Hα-helixtrans-56-44.9177.8-62.9166000111.6V611 P743 I749 H766 L767 S772 R774V611-I770 HydrophobicContact CB-CD1 4.26Å; V611-I770 HydrophobicContact CG1-CD1 3.66Å; V611-I770 HydrophobicContact CG2-CD1 3.67Å; P743-I770 HydrophobicContact CB-CG2 4.43Å; I749-I770 HydrophobicContact CD1-CD1 4.46Å; I749-I770 HydrophobicContact CD1-CG2 4.11Å; H766-I770 PolarHBondContact O-N 3.42Å; H766-I770 VanDerWaalsContact O-N 3.16Å; L767-I770 HydrophobicContact CD2-CD1 4.41Å; L767-I770 PolarHBondContact O-N 2.8Å; I770-S772 VanDerWaalsContact C-N 3.34Å; I770-S772 PolarHBondContact O-N 3.15Å; I770-R774 HydrophobicContact CG2-CG 4.38Å; I770-R774 WeakPolarHBondContact O-CB 3.44Å; I770-R774 VanDerWaalsContact O-CG 3.24Å; I770-R774 WeakPolarHBondContact O-CG 3.42Å; I770-R774 PolarHBondContact O-N 2.95Å
771L93.1Very high86.6Confident2 Ų251 Ų511%0.0127%0.268CS..Hα-helixtrans-61.2-43.3177.2-65.5173.4000111.6V746 I749 W750 C753 L767 L768 G769 R775 L800V746-L771 HydrophobicContact CG1-CD2 3.8Å; I749-L771 HydrophobicContact CB-CD2 4.27Å; I749-L771 HydrophobicContact CG2-CD1 4.31Å; I749-L771 HydrophobicContact CG2-CD2 3.96Å; I749-L771 HydrophobicContact CG2-CG 3.97Å; W750-L771 HydrophobicContact CB-CD1 4.25Å; W750-L771 HydrophobicContact CB-CD2 3.89Å; W750-L771 HydrophobicContact CG-CD1 4.39Å; C753-L771 HydrophobicContact CB-CD1 4.14Å; L767-L771 WeakPolarHBondContact O-CG 3.41Å; L767-L771 PolarHBondContact O-N 3.12Å; L768-L771 HydrophobicContact CD2-CD1 4.23Å; L768-L771 PolarHBondContact O-N 3.43Å; G769-L771 VanDerWaalsContact C-N 3.32Å; G769-L771 PolarHBondContact O-N 3.45Å; L771-R775 VanDerWaalsContact O-CG 3.3Å; L771-R775 WeakPolarHBondContact O-CG 3.32Å; L771-R775 PolarHBondContact O-N 3.04Å; L771-L800 HydrophobicContact CB-CD2 4.33Å
772S91.9Very high85.6Confident24 Ų2456 Ų5617%0.16829%0.291CS..Hα-helixtrans-68.3-42.1-179.668.90000113L768 G769 I770 R775 L776L768-S772 PolarHBondContact O-N 2.9Å; L768-S772 PolarHBondContact O-OG 2.91Å; G769-S772 PolarHBondContact O-N 2.67Å; G769-S772 PolarHBondContact O-OG 3.38Å; I770-S772 VanDerWaalsContact C-N 3.34Å; I770-S772 PolarHBondContact O-N 3.15Å; S772-R775 PolarHBondContact O-N 3.44Å; S772-L776 PolarHBondContact O-N 3.1Å
773Q90.2Very high84.4Confident111 Ų11160.6 Ų60.652%0.51931%0.306SS..Hα-helixtrans-63.9-46.1177.1179.6179-15.500111.3G769 R775 L776 E777G769-Q773 PolarHBondContact O-N 3.13Å; Q773-R775 PolarHBondContact O-N 3.33Å; Q773-L776 WeakPolarHBondContact O-CB 3.03Å; Q773-L776 PolarHBondContact O-N 2.83Å; Q773-E777 HydrophobicContact CG-CG 4.47Å; Q773-E777 WeakPolarHBondContact CG-OE1 3.42Å; Q773-E777 PolarHBondContact NE2-OE1 3.34Å; Q773-E777 PolarHBondContact O-N 2.77Å
774R88.4Confident83.1Confident65 Ų6561.2 Ų61.225%0.24532%0.317CS..Hα-helixtrans-59.7-32.9178.3-74.1-77.1-175.1-146.43.1112.9P743 V746 I770 L776 E777 E778P743-R774 PolarHBondContact O-NE 2.72Å; P743-R774 PolarHBondContact O-NH2 2.88Å; V746-R774 HydrophobicContact CG1-CB 4.37Å; V746-R774 HydrophobicContact CG2-CB 4.07Å; V746-R774 HydrophobicContact CG2-CG 3.69Å; I770-R774 HydrophobicContact CG2-CG 4.38Å; I770-R774 WeakPolarHBondContact O-CB 3.44Å; I770-R774 VanDerWaalsContact O-CG 3.24Å; I770-R774 WeakPolarHBondContact O-CG 3.42Å; I770-R774 PolarHBondContact O-N 2.95Å; R774-L776 VanDerWaalsContact C-N 3.32Å; R774-L776 PolarHBondContact O-N 3.42Å; R774-E777 WeakPolarHBondContact CD-OE2 3.46Å; R774-E777 IonicContact CZ-OE2 3.07Å; R774-E777 IonicContact NE-OE2 2.74Å; R774-E777 IonicContact NH1-OE2 3.5Å; R774-E777 PolarHBondContact NH1-OE2 3.2Å; R774-E777 PolarHBondContact O-N 3.19Å; R774-E778 WeakPolarHBondContact O-CB 3.28Å; R774-E778 WeakPolarHBondContact O-CG 3.28Å; R774-E778 PolarHBondContact O-N 3.1Å
775R86.9Confident81.3Confident16 Ų1666.7 Ų66.76%0.0635%0.351CS..Hα-helixtrans-70.1-24.7174.9-69-71.4176.3-101.2-16114L771 S772 Q773 E778 R801 H802 H808L771-R775 VanDerWaalsContact O-CG 3.3Å; L771-R775 WeakPolarHBondContact O-CG 3.32Å; L771-R775 PolarHBondContact O-N 3.04Å; S772-R775 PolarHBondContact O-N 3.44Å; Q773-R775 PolarHBondContact O-N 3.33Å; R775-E778 IonicContact CZ-OE2 2.65Å; R775-E778 IonicContact NE-OE2 3.39Å; R775-E778 IonicContact NH1-OE1 3.09Å; R775-E778 PolarHBondContact NH1-OE1 3.45Å; R775-E778 IonicContact NH1-OE2 2.72Å; R775-E778 PolarHBondContact NH1-OE2 3.1Å; R775-R801 PolarHBondContact NE-O 2.99Å; R775-R801 PolarHBondContact NH2-O 2.85Å; R775-H802 PolarHBondContact NH2-O 3.03Å; R775-H808 PolarHBondContact O-ND1 3Å
776L84.3Confident80Confident70 Ų7066 Ų6637%0.36634%0.339SS..Hα-helixtrans-75.2-53.3170.7-65.4170.2000109.5S772 Q773 R774 E778 Q779 E780 M793 H808S772-L776 PolarHBondContact O-N 3.1Å; Q773-L776 WeakPolarHBondContact O-CB 3.03Å; Q773-L776 PolarHBondContact O-N 2.83Å; R774-L776 VanDerWaalsContact C-N 3.32Å; R774-L776 PolarHBondContact O-N 3.42Å; L776-E778 PolarHBondContact O-N 2.76Å; L776-Q779 PolarHBondContact O-N 3.43Å; L776-E780 PolarHBondContact O-N 2.93Å; L776-E780 VanDerWaalsContact O-N 3.08Å; L776-M793 HydrophobicContact CD2-CE 3.72Å; L776-H808 HydrophobicContact CD2-CB 4.04Å
777E85.5Confident78.8Confident64 Ų6472.4 Ų72.430%0.29936%0.36SS..Hα-helixtrans-56.5-44.8-179.5-66.4171.3-176.700113.1Q773 R774 Q779 E780 L781Q773-E777 HydrophobicContact CG-CG 4.47Å; Q773-E777 WeakPolarHBondContact CG-OE1 3.42Å; Q773-E777 PolarHBondContact NE2-OE1 3.34Å; Q773-E777 PolarHBondContact O-N 2.77Å; R774-E777 WeakPolarHBondContact CD-OE2 3.46Å; R774-E777 IonicContact CZ-OE2 3.07Å; R774-E777 IonicContact NE-OE2 2.74Å; R774-E777 IonicContact NH1-OE2 3.5Å; R774-E777 PolarHBondContact NH1-OE2 3.2Å; R774-E777 PolarHBondContact O-N 3.19Å; E777-Q779 PolarHBondContact O-N 2.86Å; E777-E780 PolarHBondContact O-N 3.16Å; E777-E780 VanDerWaalsContact O-N 3.13Å; E777-L781 PolarHBondContact O-N 3.3Å; E777-L781 VanDerWaalsContact O-N 3.17Å
778E80.6Confident78.1Confident80 Ų8074.9 Ų74.937%0.37438%0.378SS..Hα-helixtrans-55.5-34176.8-80.1169.1177.500112.6R774 R775 L776 H782R774-E778 WeakPolarHBondContact O-CB 3.28Å; R774-E778 WeakPolarHBondContact O-CG 3.28Å; R774-E778 PolarHBondContact O-N 3.1Å; R775-E778 IonicContact CZ-OE2 2.65Å; R775-E778 IonicContact NE-OE2 3.39Å; R775-E778 IonicContact NH1-OE1 3.09Å; R775-E778 PolarHBondContact NH1-OE1 3.45Å; R775-E778 IonicContact NH1-OE2 2.72Å; R775-E778 PolarHBondContact NH1-OE2 3.1Å; L776-E778 PolarHBondContact O-N 2.76Å; E778-H782 PolarHBondContact O-N 3.11Å; E778-H782 VanDerWaalsContact O-N 3.12Å; E778-H782 PolarHBondContact O-ND1 3Å
779Q74.4Confident77.8Confident27 Ų2775.7 Ų75.713%0.12638%0.382CS..Hα-helixtrans-90.3-18-179-166.8-151.6-44.200113.2L776 E777 L781 H782 H808L776-Q779 PolarHBondContact O-N 3.43Å; E777-Q779 PolarHBondContact O-N 2.86Å; Q779-L781 VanDerWaalsContact C-N 3.28Å; Q779-H782 CarbonylContact C-O 3.59Å; Q779-H808 VanDerWaalsContact OE1-CA 3.27Å; Q779-H808 PolarHBondContact OE1-ND1 2.78Å; Q779-H808 VanDerWaalsContact OE1-ND1 3.08Å
780E72.3Confident77.6Confident131 Ų13174.1 Ų74.161%0.61237%0.366SS*.Hα-helixtrans-71.9-31.4166.5-58.4-147.6115.400110.8L776 E777 K1037L776-E780 PolarHBondContact O-N 2.93Å; L776-E780 VanDerWaalsContact O-N 3.08Å; E777-E780 PolarHBondContact O-N 3.16Å; E777-E780 VanDerWaalsContact O-N 3.13Å; E780-K1037 IonicContact OE1-NZ 2.71Å; E780-K1037 PolarHBondContact OE1-NZ 2.92Å
781L68.7Low77.4Confident144 Ų14478.6 Ų78.675%0.75439%0.387SS*.Hα-helixtrans-79.6-35.1177.1-162.571.9000113.4E777 Q779E777-L781 PolarHBondContact O-N 3.3Å; E777-L781 VanDerWaalsContact O-N 3.17Å; Q779-L781 VanDerWaalsContact C-N 3.28Å
782H64.5Low77.3Confident124 Ų12478.8 Ų78.857%0.57439%0.388SS*.SBendtrans-112.4117.2178.9-55.779.3000109.8E778 Q779E778-H782 PolarHBondContact O-N 3.11Å; E778-H782 VanDerWaalsContact O-N 3.12Å; E778-H782 PolarHBondContact O-ND1 3Å; Q779-H782 CarbonylContact C-O 3.59Å
783Q60.8Low77.3Confident171 Ų17178 Ų7880%0.79938%0.381SS*.  trans-51139.6178.1-68-170.621.500111T785Q783-T785 PolarHBondContact O-N 2.99Å
784P58.9Low77.3Confident67 Ų6773.7 Ų73.744%0.43537%0.365SS..  trans-65.1101.5-17224.8-33.8000111.6S786 R807P784-S786 PolarHBondContact O-N 2.96Å; P784-S786 VanDerWaalsContact O-N 3.14Å; P784-R807 HydrophobicContact CB-CB 4.22Å; P784-R807 HydrophobicContact CB-CG 4.39Å
785T53Low77.4Confident121 Ų12170.8 Ų70.874%0.74235%0.354SS*.SBendtrans-63.4-15.717845.60000113.9Q783Q783-T785 PolarHBondContact O-N 2.99Å
786S61.8Low77.6Confident25 Ų2571.1 Ų71.118%0.17536%0.356CS..  trans-115.7131.6173177.30000111.5P784 S788 M805P784-S786 PolarHBondContact O-N 2.96Å; P784-S786 VanDerWaalsContact O-N 3.14Å; S786-S788 PolarHBondContact O-N 3.23Å; S786-S788 PolarHBondContact OG-N 2.98Å; S786-S788 VanDerWaalsContact OG-N 3.17Å; S786-S788 PolarHBondContact OG-OG 3.31Å; S786-M805 WeakPolarHBondContact CB-O 3.48Å
787R66.6Low78Confident215 Ų21568.3 Ų68.381%0.81134%0.344SS*.SBendtrans-65.6-24170.8-63.5-175.7-178.7-172.70.2112.9R807R787-R807 PolarHBondContact O-NE 3.12Å; R787-R807 VanDerWaalsContact O-NE 3.14Å; R787-R807 PolarHBondContact O-NH2 3.23Å
788S79.8Confident78.3Confident58 Ų5865.7 Ų65.741%0.40633%0.333SS..SBendtrans-87.4132.5-172.1540000113.4S786 Y806 R807S786-S788 PolarHBondContact O-N 3.23Å; S786-S788 PolarHBondContact OG-N 2.98Å; S786-S788 VanDerWaalsContact OG-N 3.17Å; S786-S788 PolarHBondContact OG-OG 3.31Å; S788-Y806 WeakPolarHBondContact OG-CD1 3.17Å; S788-R807 PolarHBondContact O-N 2.97Å; S788-R807 VanDerWaalsContact O-N 3.09Å
789L85.4Confident78.9Confident25 Ų2562 Ų6213%0.13132%0.315CS..BIsolated β-bridgetrans-63.5138.3174.9-173.669.8000111.1H791 A794 R807 M810L789-H791 PolarHBondContact O-N 3.43Å; L789-A794 HydrophobicContact CD2-CB 3.73Å; L789-A794 HydrophobicContact CG-CB 4.19Å; L789-R807 CarbonylContact C-O 3.52Å; L789-R807 WeakPolarHBondContact CA-O 3.43Å; L789-M810 HydrophobicContact CD2-CE 3.57Å
790C88.9Confident79.7Confident0 Ų060.8 Ų60.80%031%0.31CS..PPolyproline II helixtrans-64.4125.1-178.2176.20000110.6Q792 M793 A794 R807 H808C790-Q792 PolarHBondContact O-N 3.26Å; C790-M793 HydrophobicContact CB-CB 3.86Å; C790-M793 WeakPolarHBondContact O-CB 3.42Å; C790-M793 PolarHBondContact O-N 2.69Å; C790-A794 PolarHBondContact O-N 2.82Å; C790-R807 WeakPolarHBondContact CB-O 3.3Å; C790-R807 PolarHBondContact N-O 2.87Å; C790-H808 WeakPolarHBondContact CB-CD2 3.34Å
791H88.9Confident80.4Confident111 Ų11157.8 Ų57.851%0.51429%0.293SS..THydrogen-bonded Turntrans-66.7-19.9-174.5-148.386.8000114.4L789 A795 R947L789-H791 PolarHBondContact O-N 3.43Å; H791-A795 VanDerWaalsContact O-CB 3.23Å; H791-A795 WeakPolarHBondContact O-CB 3.39Å; H791-R947 PolarHBondContact CE1-NH2 3.03Å; H791-R947 VanDerWaalsContact CE1-NH2 3.31Å; H791-R947 PolarHBondContact NE2-NH1 2.84Å; H791-R947 PolarHBondContact NE2-NH2 2.9Å
792Q91.9Very high81.2Confident6 Ų653.3 Ų53.33%0.02827%0.268CS..THydrogen-bonded Turntrans-78.1-44.2167.9-73.1-165.82.700111.2C790 A794 A795 F796 D798 R801 L956 D957C790-Q792 PolarHBondContact O-N 3.26Å; Q792-A794 PolarHBondContact O-N 3.41Å; Q792-A795 PolarHBondContact O-N 2.88Å; Q792-A795 VanDerWaalsContact O-N 3.07Å; Q792-F796 HydrophobicContact CB-CD2 4.26Å; Q792-F796 WeakPolarHBondContact O-CD2 3.4Å; Q792-F796 PolarHBondContact O-N 3.38Å; Q792-D798 CarbonylContact C-O 3.54Å; Q792-R801 HydrophobicContact CG-CG 4.49Å; Q792-L956 PolarHBondContact NE2-O 2.9Å; Q792-D957 PolarHBondContact NE2-O 3.07Å
793M90.6Very high82.1Confident6 Ų654.7 Ų54.73%0.0327%0.272CS..Hα-helixtrans-58.9-50177.9-178.853.883.800110.9L776 C790 A795 F796 G797 D798 H808 M1032L776-M793 HydrophobicContact CD2-CE 3.72Å; C790-M793 HydrophobicContact CB-CB 3.86Å; C790-M793 WeakPolarHBondContact O-CB 3.42Å; C790-M793 PolarHBondContact O-N 2.69Å; M793-A795 PolarHBondContact O-N 3.31Å; M793-F796 PolarHBondContact O-N 3.25Å; M793-G797 WeakPolarHBondContact O-CA 3.25Å; M793-G797 PolarHBondContact O-N 2.91Å; M793-G797 VanDerWaalsContact SD-O 3.35Å; M793-D798 PolarHBondContact N-O 2.91Å; M793-H808 HydrophobicContact CE-CB 3.83Å; M793-H808 HydrophobicContact CG-CB 4.3Å; M793-M1032 HydrophobicContact CG-CG 4.28Å; M793-M1032 HydrophobicContact CG-SD 3.59Å; M793-M1032 VanDerWaalsContact CG-SD 3.59Å; M793-M1032 HydrophobicContact SD-CB 4.36Å; M793-M1032 HydrophobicContact SD-CG 3.97Å; M793-M1032 HydrophobicContact SD-SD 3.74Å
794A89.9Confident83.2Confident22 Ų2247.9 Ų47.918%0.18224%0.243CC..Hα-helixtrans-61.8-13.3176.200000115L789 C790 Q792L789-A794 HydrophobicContact CD2-CB 3.73Å; L789-A794 HydrophobicContact CG-CB 4.19Å; C790-A794 PolarHBondContact O-N 2.82Å; Q792-A794 PolarHBondContact O-N 3.41Å
795A91.2Very high84.3Confident3 Ų351.1 Ų51.13%0.02525%0.254CS..Hα-helixtrans-111-29.2-175.900000113.9H791 Q792 M793 R947H791-A795 VanDerWaalsContact O-CB 3.23Å; H791-A795 WeakPolarHBondContact O-CB 3.39Å; Q792-A795 PolarHBondContact O-N 2.88Å; Q792-A795 VanDerWaalsContact O-N 3.07Å; M793-A795 PolarHBondContact O-N 3.31Å; A795-R947 VanDerWaalsContact CB-NH1 3.29Å
796F92.4Very high85.9Confident23 Ų2350.3 Ų50.310%0.10124%0.238CC..Hα-helixtrans-132.9-7.5-168.8-53.2-67.7000113.8Q792 M793 D798 Q952 R958 K1028Q792-F796 HydrophobicContact CB-CD2 4.26Å; Q792-F796 WeakPolarHBondContact O-CD2 3.4Å; Q792-F796 PolarHBondContact O-N 3.38Å; M793-F796 PolarHBondContact O-N 3.25Å; F796-D798 WeakPolarHBondContact CB-OD1 3.06Å; F796-D798 PolarHBondContact O-N 3.16Å; F796-Q952 HydrophobicContact CE1-CB 3.86Å; F796-Q952 HydrophobicContact CZ-CB 4.14Å; F796-R958 HydrophobicContact CE2-CB 4.16Å; F796-R958 HydrophobicContact CE2-CG 4.45Å; F796-K1028 WeakPolarHBondContact O-CD 3.39Å
797G91.5Very high87.1Confident11 Ų1149.3 Ų49.311%0.11323%0.231CC..SBendtrans70.99.3-174.600000114.6M793M793-G797 WeakPolarHBondContact O-CA 3.25Å; M793-G797 PolarHBondContact O-N 2.91Å; M793-G797 VanDerWaalsContact SD-O 3.35Å
798D92.7Very high88.1Confident10 Ų1039.4 Ų39.45%0.05319%0.193CC..SBendtrans-150.3163.417559.810000111.8Q792 M793 F796 R958 K1028Q792-D798 CarbonylContact C-O 3.54Å; M793-D798 PolarHBondContact N-O 2.91Å; F796-D798 WeakPolarHBondContact CB-OD1 3.06Å; F796-D798 PolarHBondContact O-N 3.16Å; D798-R958 PolarHBondContact O-NH1 3.39Å; D798-R958 VanDerWaalsContact O-NH1 3.08Å; D798-R958 IonicContact OD1-CZ 3.6Å; D798-R958 IonicContact OD1-NH1 2.75Å; D798-R958 PolarHBondContact OD1-NH1 3.22Å; D798-R958 IonicContact OD1-NH2 3.37Å; D798-R958 PolarHBondContact OD1-NH2 2.86Å; D798-R958 IonicContact OD2-NH2 3.62Å; D798-R958 PolarHBondContact OD2-NH2 2.89Å; D798-K1028 HydrophobicContact CB-CD 4.39Å; D798-K1028 WeakPolarHBondContact OD2-CE 3.41Å; D798-K1028 IonicContact OD2-NZ 2.69Å; D798-K1028 PolarHBondContact OD2-NZ 2.86Å
799C91.6Very high88.3Confident1 Ų137.5 Ų37.51%0.00718%0.179CC..  trans-124.9125176.2-173.80000110.8H808C799-H808 WeakPolarHBondContact CB-NE2 3.17Å; C799-H808 PolarHBondContact SG-NE2 3.29Å
800L91.8Very high88.3Confident2 Ų236.4 Ų36.41%0.0117%0.174CC..  trans-113.710.6-179.6-59.5180000112.6W750 L768 L771W750-L800 PolarHBondContact NE1-O 3.4Å; L768-L800 HydrophobicContact CB-CD2 4.23Å; L768-L800 HydrophobicContact CD2-CD1 4.2Å; L768-L800 HydrophobicContact CD2-CD2 4.31Å; L771-L800 HydrophobicContact CB-CD2 4.33Å
801R88.3Confident88.2Confident68 Ų6841.1 Ų41.126%0.25719%0.191SC..  trans-64142.7179.3-67.8179.7168.2177.6-5.7111.4R775 Q792 K803 C804R775-R801 PolarHBondContact NE-O 2.99Å; R775-R801 PolarHBondContact NH2-O 2.85Å; Q792-R801 HydrophobicContact CG-CG 4.49Å; R801-K803 VanDerWaalsContact C-N 3.27Å; R801-K803 WeakPolarHBondContact CB-O 3.49Å; R801-K803 PolarHBondContact O-N 3.33Å; R801-C804 HydrophobicContact CB-CB 4.24Å
802H84.7Confident87.8Confident50 Ų5042.6 Ų42.623%0.23119%0.193CC..SBendtrans-61-36.2177.6-170.8-98.7000112.6E747 W750 R775E747-H802 IonicContact OE1-CE1 2.68Å; E747-H802 PolarHBondContact OE1-CE1 2.7Å; E747-H802 IonicContact OE1-NE2 3.53Å; E747-H802 IonicContact OE2-CE1 3.84Å; E747-H802 PolarHBondContact OE2-CE1 3.09Å; E747-H802 VanDerWaalsContact OE2-CE1 3.31Å; E747-H802 IonicContact OE2-NE2 2.69Å; E747-H802 PolarHBondContact OE2-NE2 3.14Å; W750-H802 HydrophobicContact CD2-CB 4.12Å; W750-H802 AromaticContact CD2-CD2 3.41Å; W750-H802 VanDerWaalsContact CD2-CD2 3.41Å; W750-H802 AromaticContact CE2-CD2 3.96Å; W750-H802 AromaticContact CE3-CD2 3.45Å; W750-H802 VanDerWaalsContact CE3-CD2 3.45Å; W750-H802 AromaticContact CG-CD2 3.7Å; W750-H802 HydrophobicContact CH2-CB 4.27Å; W750-H802 HydrophobicContact CZ2-CB 3.81Å; R775-H802 PolarHBondContact NH2-O 3.03Å
803K83.2Confident87.2Confident153 Ų15348.4 Ų48.467%0.66522%0.224SC*.SBendtrans-142.8144.7166.5-62.8-171178-171.50107.9R801R801-K803 VanDerWaalsContact C-N 3.27Å; R801-K803 WeakPolarHBondContact CB-O 3.49Å; R801-K803 PolarHBondContact O-N 3.33Å
804C84.3Confident86.8Confident28 Ų2849.1 Ų49.119%0.18923%0.227CC..  trans-140.8126.5179.9-163.50000110.6R801 H808R801-C804 HydrophobicContact CB-CB 4.24Å; C804-H808 PolarHBondContact SG-NE2 3.48Å
805M82.2Confident86.5Confident135 Ų13549.2 Ų49.267%0.66523%0.225SC*.  trans-99.39.4178.5-53.4-56.3-62.100112.6S786S786-M805 WeakPolarHBondContact CB-O 3.48Å
806Y85.1Confident86.3Confident105 Ų10555.1 Ų55.141%0.41226%0.256SS..SBendtrans-103.7151.1-174.5-63.1-90.3000110.8S788 H808S788-Y806 WeakPolarHBondContact OG-CD1 3.17Å; Y806-H808 PolarHBondContact O-CE1 3.43Å; Y806-H808 PolarHBondContact O-ND1 3.14Å
807R87.4Confident86.1Confident4 Ų454.7 Ų54.72%0.01526%0.255CS..BIsolated β-bridgetrans-64.5131.8175.3172.3168.661.197.8-5110.4P784 R787 S788 L789 C790 V809 E814P784-R807 HydrophobicContact CB-CB 4.22Å; P784-R807 HydrophobicContact CB-CG 4.39Å; R787-R807 PolarHBondContact O-NE 3.12Å; R787-R807 VanDerWaalsContact O-NE 3.14Å; R787-R807 PolarHBondContact O-NH2 3.23Å; S788-R807 PolarHBondContact O-N 2.97Å; S788-R807 VanDerWaalsContact O-N 3.09Å; L789-R807 CarbonylContact C-O 3.52Å; L789-R807 WeakPolarHBondContact CA-O 3.43Å; C790-R807 WeakPolarHBondContact CB-O 3.3Å; C790-R807 PolarHBondContact N-O 2.87Å; R807-V809 WeakPolarHBondContact CD-O 3.33Å; R807-V809 WeakPolarHBondContact CG-O 3.41Å; R807-V809 PolarHBondContact NH1-O 2.68Å; R807-E814 IonicContact CZ-OE1 3.65Å; R807-E814 IonicContact CZ-OE2 3.59Å; R807-E814 IonicContact NH1-OE1 3.76Å; R807-E814 IonicContact NH1-OE2 3.87Å; R807-E814 PolarHBondContact NH1-OE2 3.43Å; R807-E814 VanDerWaalsContact NH2-CD 3.34Å; R807-E814 IonicContact NH2-OE1 2.07Å; R807-E814 PolarHBondContact NH2-OE1 2.66Å; R807-E814 IonicContact NH2-OE2 3.52Å; R807-E814 PolarHBondContact NH2-OE2 3.04Å
808H88.9Confident86Confident6 Ų656 Ų563%0.02826%0.262CS..  trans-108.714.7175.7-48.7107.7000112.8R775 L776 Q779 C790 M793 C799 C804 Y806R775-H808 PolarHBondContact O-ND1 3Å; L776-H808 HydrophobicContact CD2-CB 4.04Å; Q779-H808 VanDerWaalsContact OE1-CA 3.27Å; Q779-H808 PolarHBondContact OE1-ND1 2.78Å; Q779-H808 VanDerWaalsContact OE1-ND1 3.08Å; C790-H808 WeakPolarHBondContact CB-CD2 3.34Å; M793-H808 HydrophobicContact CE-CB 3.83Å; M793-H808 HydrophobicContact CG-CB 4.3Å; C799-H808 WeakPolarHBondContact CB-NE2 3.17Å; C799-H808 PolarHBondContact SG-NE2 3.29Å; C804-H808 PolarHBondContact SG-NE2 3.48Å; Y806-H808 PolarHBondContact O-CE1 3.43Å; Y806-H808 PolarHBondContact O-ND1 3.14Å
809V84Confident85.8Confident18 Ų1862.7 Ų62.711%0.10930%0.297CS..SBendtrans-122.2128.2176.8177.30000108.6R807 K1037R807-V809 WeakPolarHBondContact CD-O 3.33Å; R807-V809 WeakPolarHBondContact CG-O 3.41Å; R807-V809 PolarHBondContact NH1-O 2.68Å; V809-K1037 HydrophobicContact CG1-CB 4.05Å; V809-K1037 HydrophobicContact CG1-CD 3.96Å; V809-K1037 HydrophobicContact CG1-CG 3.75Å
810M85.4Confident85.8Confident2 Ų265 Ų651%0.0131%0.308CS..  trans-81142.4178.2-171167.7-84.200110.6L789 E814 V815 I992 H993 M1032 V1033 S1036 K1037L789-M810 HydrophobicContact CD2-CE 3.57Å; M810-E814 HydrophobicContact CG-CB 3.59Å; M810-E814 HydrophobicContact SD-CB 4.35Å; M810-V815 HydrophobicContact CG-CG2 4.11Å; M810-V815 HydrophobicContact SD-CB 4.45Å; M810-V815 HydrophobicContact SD-CG2 3.99Å; M810-I992 HydrophobicContact CE-CG2 3.96Å; M810-I992 HydrophobicContact SD-CG2 4.01Å; M810-H993 HydrophobicContact CE-CB 4.18Å; M810-M1032 HydrophobicContact CE-CE 3.53Å; M810-M1032 HydrophobicContact CE-SD 4.24Å; M810-M1032 HydrophobicContact SD-CE 4.17Å; M810-V1033 HydrophobicContact SD-CG2 4.4Å; M810-S1036 VanDerWaalsContact O-CA 3.24Å; M810-S1036 WeakPolarHBondContact O-CA 3.16Å; M810-S1036 WeakPolarHBondContact O-CB 3.29Å; M810-K1037 PolarHBondContact O-N 3Å; M810-K1037 VanDerWaalsContact O-N 3.12Å
811W85.3Confident85.9Confident99 Ų9965.2 Ų65.238%0.37531%0.309SS..BIsolated β-bridgetrans-83.7156.6171-68.6-41.2000110.8D813 E814 V815 K1037W811-D813 VanDerWaalsContact C-N 3.28Å; W811-D813 WeakPolarHBondContact CB-OD1 3.5Å; W811-D813 PolarHBondContact O-N 2.63Å; W811-E814 HydrophobicContact CB-CG 4.25Å; W811-E814 PolarHBondContact N-OE2 3.22Å; W811-E814 WeakPolarHBondContact O-CB 3.37Å; W811-E814 PolarHBondContact O-N 2.72Å; W811-V815 PolarHBondContact O-N 3.17Å; W811-K1037 WeakPolarHBondContact CA-O 3.1Å
812R80.8Confident86.1Confident143 Ų14363 Ų6354%0.5430%0.303SS..Hα-helixtrans-59.1-35.2-178.3-74.4-168.4179.7158.69.4114.2E814 V815 K1037 D1038R812-E814 VanDerWaalsContact C-N 3.27Å; R812-E814 PolarHBondContact O-N 3.1Å; R812-V815 PolarHBondContact O-N 2.86Å; R812-K1037 PolarHBondContact N-O 3.29Å; R812-D1038 WeakPolarHBondContact CD-OD1 3.24Å; R812-D1038 IonicContact CZ-OD1 3.97Å; R812-D1038 IonicContact CZ-OD2 3.54Å; R812-D1038 IonicContact NE-OD1 3.25Å; R812-D1038 PolarHBondContact NE-OD1 3.21Å; R812-D1038 IonicContact NE-OD2 3.18Å; R812-D1038 IonicContact NH1-OD1 2.95Å; R812-D1038 PolarHBondContact NH1-OD1 2.71Å; R812-D1038 IonicContact NH1-OD2 3.14Å; R812-D1038 PolarHBondContact NH1-OD2 3.12Å; R812-D1038 VanDerWaalsContact NH1-OD2 3.1Å; R812-D1038 IonicContact NH2-OD1 2.9Å; R812-D1038 IonicContact NH2-OD2 3.31Å; R812-D1038 PolarHBondContact NH2-OD2 3.35Å
813D80.2Confident86.4Confident127 Ų12766 Ų6668%0.67932%0.315SS*.Hα-helixtrans-70.1-24175.870.4-43.4000112.8W811W811-D813 VanDerWaalsContact C-N 3.28Å; W811-D813 WeakPolarHBondContact CB-OD1 3.5Å; W811-D813 PolarHBondContact O-N 2.63Å
814E82.4Confident86.7Confident21 Ų2164.7 Ų64.710%0.09832%0.316CS..Hα-helixtrans-83-19.8176.8-65.4178.1142.800113.7R807 M810 W811 R812 H993R807-E814 IonicContact CZ-OE1 3.65Å; R807-E814 IonicContact CZ-OE2 3.59Å; R807-E814 IonicContact NH1-OE1 3.76Å; R807-E814 IonicContact NH1-OE2 3.87Å; R807-E814 PolarHBondContact NH1-OE2 3.43Å; R807-E814 VanDerWaalsContact NH2-CD 3.34Å; R807-E814 IonicContact NH2-OE1 2.07Å; R807-E814 PolarHBondContact NH2-OE1 2.66Å; R807-E814 IonicContact NH2-OE2 3.52Å; R807-E814 PolarHBondContact NH2-OE2 3.04Å; M810-E814 HydrophobicContact CG-CB 3.59Å; M810-E814 HydrophobicContact SD-CB 4.35Å; W811-E814 HydrophobicContact CB-CG 4.25Å; W811-E814 PolarHBondContact N-OE2 3.22Å; W811-E814 WeakPolarHBondContact O-CB 3.37Å; W811-E814 PolarHBondContact O-N 2.72Å; R812-E814 VanDerWaalsContact C-N 3.27Å; R812-E814 PolarHBondContact O-N 3.1Å; E814-H993 WeakPolarHBondContact CA-ND1 3.48Å; E814-H993 WeakPolarHBondContact CB-ND1 3.42Å; E814-H993 WeakPolarHBondContact O-CA 3.49Å; E814-H993 WeakPolarHBondContact O-CB 3.45Å; E814-H993 PolarHBondContact O-N 3.28Å; E814-H993 PolarHBondContact O-ND1 2.95Å; E814-H993 VanDerWaalsContact O-ND1 3.12Å
815V84.4Confident87.2Confident24 Ų2465 Ų6515%0.14532%0.324CS..Hα-helixtrans-61.8-48.9-177.81680000111.9M810 W811 R812 V1033M810-V815 HydrophobicContact CG-CG2 4.11Å; M810-V815 HydrophobicContact SD-CB 4.45Å; M810-V815 HydrophobicContact SD-CG2 3.99Å; W811-V815 PolarHBondContact O-N 3.17Å; R812-V815 PolarHBondContact O-N 2.86Å; V815-V1033 HydrophobicContact CG1-CG1 3.63Å; V815-V1033 HydrophobicContact CG1-CG2 4.46Å
816L85.6Confident87.8Confident127 Ų12764 Ų6467%0.66532%0.32SS*.SBendtrans-80.5133.5-173.4-65.3177.1000111
817P88.6Confident88.3Confident14 Ų1459.5 Ų59.59%0.09130%0.303CS..PPolyproline II helixtrans-72.5150.6172.632.7-36.7000111K823 A991 H993P817-K823 HydrophobicContact CG-CG 4.24Å; P817-A991 HydrophobicContact CB-CB 3.88Å; P817-A991 HydrophobicContact CG-CB 3.96Å; P817-A991 WeakPolarHBondContact CG-O 3.48Å; P817-H993 VanDerWaalsContact CA-O 3.25Å; P817-H993 WeakPolarHBondContact CA-O 3.33Å; P817-H993 WeakPolarHBondContact CB-O 3.39Å
818P89.3Confident88.7Confident38 Ų3865 Ų6525%0.24732%0.324CS..PPolyproline II helixtrans-55.6147.2176.7-23.632.8000112.5H820 Y821 H993P818-H820 PolarHBondContact O-N 2.95Å; P818-Y821 HydrophobicContact CB-CD2 3.83Å; P818-Y821 HydrophobicContact CB-CE2 4.17Å; P818-Y821 HydrophobicContact CG-CD2 3.9Å; P818-Y821 HydrophobicContact CG-CE2 3.88Å; P818-Y821 VanDerWaalsContact O-CB 3.3Å; P818-Y821 WeakPolarHBondContact O-CB 3.26Å; P818-Y821 PolarHBondContact O-N 2.87Å; P818-H993 WeakPolarHBondContact CD-O 3.49Å
819D88.8Confident88.9Confident151 Ų15164.7 Ų64.781%0.80732%0.323SS*.THydrogen-bonded Turntrans-59.5-26.9-169-65.6-47.3000116Y821D819-Y821 VanDerWaalsContact C-N 3.31Å
820H90.8Very high89.3Confident49 Ų4964.8 Ų64.823%0.22732%0.322CS..THydrogen-bonded Turntrans-79.9-10.2176.759.3-76.6000113.5P818 Q847 R941P818-H820 PolarHBondContact O-N 2.95Å; H820-Q847 PolarHBondContact O-NE2 3.49Å; H820-Q847 PolarHBondContact O-OE1 3.33Å; H820-R941 PolarHBondContact NE2-O 2.99Å
821Y93.6Very high89.6Confident7 Ų766 Ų663%0.02733%0.33CS..SBendtrans-76133.8176.9-83.5-128.6000110.9P818 D819 K823 R941 M944 R994 I996P818-Y821 HydrophobicContact CB-CD2 3.83Å; P818-Y821 HydrophobicContact CB-CE2 4.17Å; P818-Y821 HydrophobicContact CG-CD2 3.9Å; P818-Y821 HydrophobicContact CG-CE2 3.88Å; P818-Y821 VanDerWaalsContact O-CB 3.3Å; P818-Y821 WeakPolarHBondContact O-CB 3.26Å; P818-Y821 PolarHBondContact O-N 2.87Å; D819-Y821 VanDerWaalsContact C-N 3.31Å; Y821-K823 PolarHBondContact O-N 3.3Å; Y821-R941 HydrophobicContact CE2-CG 4.44Å; Y821-M944 HydrophobicContact CD1-SD 4.37Å; Y821-M944 HydrophobicContact CD2-CE 3.81Å; Y821-M944 HydrophobicContact CD2-SD 4.22Å; Y821-M944 HydrophobicContact CE1-CB 4.08Å; Y821-M944 HydrophobicContact CE1-CG 4.04Å; Y821-M944 HydrophobicContact CE1-SD 4.34Å; Y821-M944 HydrophobicContact CE2-CE 3.92Å; Y821-M944 HydrophobicContact CE2-CG 3.9Å; Y821-M944 HydrophobicContact CE2-SD 4.21Å; Y821-M944 HydrophobicContact CG-CE 4.36Å; Y821-M944 HydrophobicContact CG-SD 4.31Å; Y821-R994 VanDerWaalsContact CE1-O 3.28Å; Y821-R994 WeakPolarHBondContact CE1-O 3.28Å; Y821-R994 PolarHBondContact OH-O 3.47Å; Y821-I996 HydrophobicContact CD1-CD1 3.94Å; Y821-I996 HydrophobicContact CD1-CG1 3.62Å; Y821-I996 HydrophobicContact CE1-CD1 4.29Å; Y821-I996 HydrophobicContact CE1-CG1 4.01Å
822P93.6Very high89.9Confident21 Ų2162.6 Ų62.614%0.13632%0.319CS..  trans-68124175.127.7-32.9000109.8I827 L844 V988 I996P822-I827 HydrophobicContact CB-CG2 3.8Å; P822-I827 HydrophobicContact CG-CG2 3.65Å; P822-L844 HydrophobicContact CG-CD1 3.84Å; P822-V988 HydrophobicContact CB-CG2 4.32Å; P822-V988 HydrophobicContact CG-CG2 4.23Å; P822-I996 HydrophobicContact CG-CD1 3.92Å
823K89.9Confident90.3Very high113 Ų11357.7 Ų57.749%0.49131%0.305SS..  trans-86.4-24.9-179.1-62.2178.4-176.9175.90112.6P817 Y821P817-K823 HydrophobicContact CG-CG 4.24Å; Y821-K823 PolarHBondContact O-N 3.3Å
824N90.5Very high90.9Very high127 Ų12752.1 Ų52.168%0.67928%0.276SS*.SBendtrans-157.7176.8175.258.541.2000110.3
825G93.8Very high91.3Very high34 Ų3453.3 Ų53.335%0.35128%0.279SS..EExtended strand (participates in β ladder)trans94.3-177.1172.400000115.3V987 V988G825-V987 WeakPolarHBondContact O-CA 3.37Å; G825-V988 PolarHBondContact O-N 2.96Å
826L95.4Very high91.7Very high114 Ų11452.9 Ų52.960%0.59728%0.278SS*.EExtended strand (participates in β ladder)trans-82130.6177.2-177.972000110H985 V987L826-H985 HydrophobicContact CD1-CB 4.27Å; L826-V987 HydrophobicContact CD1-CG2 4.05Å
827I96.2Very high92Very high10 Ų1046.9 Ų46.95%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-116.5142.1174.556.4163.9000110.9P822 F829 L844 L946 H985 A986 V988 I996P822-I827 HydrophobicContact CB-CG2 3.8Å; P822-I827 HydrophobicContact CG-CG2 3.65Å; I827-F829 HydrophobicContact CD1-CD1 3.87Å; I827-F829 HydrophobicContact CD1-CE1 4.17Å; I827-F829 HydrophobicContact CG1-CD1 4.05Å; I827-F829 HydrophobicContact CG1-CE1 4.32Å; I827-L844 HydrophobicContact CB-CD2 4.17Å; I827-L844 HydrophobicContact CD1-CD2 4.08Å; I827-L844 HydrophobicContact CG2-CD2 4.43Å; I827-L946 HydrophobicContact CD1-CD1 4.05Å; I827-H985 WeakPolarHBondContact O-CA 3.49Å; I827-H985 WeakPolarHBondContact O-CB 3.28Å; I827-A986 HydrophobicContact CG1-CB 4.28Å; I827-A986 VanDerWaalsContact CG1-O 3.3Å; I827-A986 WeakPolarHBondContact CG1-O 3.44Å; I827-A986 PolarHBondContact N-O 3.06Å; I827-A986 PolarHBondContact O-N 3.41Å; I827-A986 VanDerWaalsContact O-N 3.15Å; I827-V988 HydrophobicContact CB-CG2 4.5Å; I827-V988 HydrophobicContact CD1-CG2 3.97Å; I827-V988 HydrophobicContact CG1-CG2 4.01Å; I827-V988 HydrophobicContact CG2-CG2 3.68Å; I827-I996 HydrophobicContact CD1-CG2 4.47Å
828R95.3Very high92.2Very high120 Ų12046.7 Ų46.745%0.45325%0.246SC..EExtended strand (participates in β ladder)trans-109.3133.6166-64.1-179.9-70.7-128.62.7110S845 D846 F984 H985R828-S845 PolarHBondContact O-N 3Å; R828-D846 WeakPolarHBondContact CB-OD2 3.23Å; R828-D846 IonicContact CZ-OD1 3.46Å; R828-D846 VanDerWaalsContact CZ-OD1 3.25Å; R828-D846 IonicContact CZ-OD2 3.59Å; R828-D846 IonicContact NE-OD1 3.33Å; R828-D846 PolarHBondContact NE-OD1 2.77Å; R828-D846 IonicContact NE-OD2 3.49Å; R828-D846 PolarHBondContact NE-OD2 3.18Å; R828-D846 IonicContact NH2-OD1 3.51Å; R828-D846 PolarHBondContact NH2-OD1 3.45Å; R828-D846 IonicContact NH2-OD2 2.67Å; R828-F984 WeakPolarHBondContact CA-O 3.29Å; R828-H985 HydrophobicContact CG-CB 4.41Å
829F94.4Very high92.5Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-148.7161.8-173.161.1-90.5000113.6I827 V831 V842 R843 L844 L946 F984 A986 I1001I827-F829 HydrophobicContact CD1-CD1 3.87Å; I827-F829 HydrophobicContact CD1-CE1 4.17Å; I827-F829 HydrophobicContact CG1-CD1 4.05Å; I827-F829 HydrophobicContact CG1-CE1 4.32Å; F829-V831 HydrophobicContact CD2-CG2 4.25Å; F829-V831 HydrophobicContact CE2-CG2 3.95Å; F829-V842 HydrophobicContact CB-CB 4.18Å; F829-V842 HydrophobicContact CB-CG2 4.4Å; F829-V842 HydrophobicContact CD2-CB 3.68Å; F829-V842 HydrophobicContact CD2-CG1 3.52Å; F829-V842 HydrophobicContact CD2-CG2 4.33Å; F829-V842 HydrophobicContact CE2-CB 4.38Å; F829-V842 HydrophobicContact CE2-CG1 3.73Å; F829-V842 HydrophobicContact CG-CB 4.14Å; F829-V842 HydrophobicContact CG-CG1 4.37Å; F829-V842 HydrophobicContact CG-CG2 4.4Å; F829-R843 CarbonylContact C-O 3.52Å; F829-R843 VanDerWaalsContact CA-O 3.23Å; F829-R843 WeakPolarHBondContact CA-O 3.28Å; F829-R843 WeakPolarHBondContact CB-O 3.47Å; F829-L844 HydrophobicContact CB-CD2 4.19Å; F829-L946 HydrophobicContact CD1-CD2 4.32Å; F829-L946 HydrophobicContact CD2-CD2 4.27Å; F829-L946 HydrophobicContact CE1-CD2 3.72Å; F829-L946 HydrophobicContact CE2-CD2 3.64Å; F829-L946 HydrophobicContact CZ-CD2 3.32Å; F829-F984 WeakPolarHBondContact CD1-O 3.46Å; F829-F984 HydrophobicContact CD2-CB 4.07Å; F829-F984 HydrophobicContact CE1-CB 4.3Å; F829-F984 HydrophobicContact CE2-CB 3.58Å; F829-F984 HydrophobicContact CE2-CG 4.44Å; F829-F984 HydrophobicContact CZ-CB 3.71Å; F829-F984 PolarHBondContact N-O 3Å; F829-F984 PolarHBondContact O-N 2.7Å; F829-A986 HydrophobicContact CE1-CB 3.79Å; F829-A986 HydrophobicContact CZ-CB 4.39Å; F829-I1001 HydrophobicContact CE2-CG2 4.4Å; F829-I1001 HydrophobicContact CZ-CD1 4.15Å; F829-I1001 HydrophobicContact CZ-CG1 4.11Å; F829-I1001 HydrophobicContact CZ-CG2 3.76Å
830L92.2Very high92.8Very high19 Ų1938.2 Ų38.210%0.09920%0.199CC..EExtended strand (participates in β ladder)trans-107.3131.5171.1-176.260.4000108.7L832 V842 R843 P858 R982L830-L832 PolarHBondContact O-N 3.43Å; L830-V842 CarbonylContact O-C 3.53Å; L830-V842 VanDerWaalsContact O-CA 3.31Å; L830-V842 WeakPolarHBondContact O-CA 3.35Å; L830-R843 PolarHBondContact N-O 2.9Å; L830-R843 PolarHBondContact O-N 2.83Å; L830-P858 HydrophobicContact CD2-CB 3.66Å; L830-P858 HydrophobicContact CD2-CG 3.5Å; L830-R982 WeakPolarHBondContact CD1-O 3.37Å
831V91.8Very high93Very high28 Ų2835.9 Ų35.917%0.1719%0.188CC..EExtended strand (participates in β ladder)trans-77.6118.7174.6178.90000109.1F829 L840 V842 F973 F984F829-V831 HydrophobicContact CD2-CG2 4.25Å; F829-V831 HydrophobicContact CE2-CG2 3.95Å; V831-L840 HydrophobicContact CG2-CD1 4.19Å; V831-V842 HydrophobicContact CG2-CG1 4.41Å; V831-F973 HydrophobicContact CB-CD1 4.5Å; V831-F973 HydrophobicContact CG2-CD1 3.94Å; V831-F973 HydrophobicContact CG2-CE1 3.75Å; V831-F973 HydrophobicContact CG2-CZ 4.3Å; V831-F984 HydrophobicContact CG2-CD2 3.82Å; V831-F984 HydrophobicContact CG2-CE2 4.16Å; V831-F984 HydrophobicContact CG2-CG 4.35Å
832L89.9Confident93.1Very high28 Ų2835.5 Ų35.515%0.14719%0.187CC..EExtended strand (participates in β ladder)trans-87-51.7176.1-57.4175.7000110.3L830 A841 R843 F857 T917 A943L830-L832 PolarHBondContact O-N 3.43Å; L832-A841 HydrophobicContact CB-CB 4.38Å; L832-A841 WeakPolarHBondContact CB-O 3.48Å; L832-A841 PolarHBondContact N-O 3.09Å; L832-R843 HydrophobicContact CD1-CB 4Å; L832-R843 HydrophobicContact CD2-CB 4.21Å; L832-R843 HydrophobicContact CG-CB 4.17Å; L832-F857 HydrophobicContact CD2-CZ 4.19Å; L832-T917 WeakPolarHBondContact CB-O 3.18Å; L832-A943 HydrophobicContact CD1-CB 3.84Å
833V90.5Very high93.1Very high39 Ų3934.7 Ų34.724%0.23618%0.181CC..EExtended strand (participates in β ladder)trans-137.8141.8-179.9-167.50000109.9Y835 L840 A841V833-Y835 HydrophobicContact CB-CD1 4.3Å; V833-Y835 HydrophobicContact CB-CE1 3.77Å; V833-Y835 HydrophobicContact CG1-CD1 3.67Å; V833-Y835 HydrophobicContact CG1-CE1 3.46Å; V833-Y835 VanDerWaalsContact CG1-CE1 3.46Å; V833-L840 CarbonylContact O-C 3.57Å; V833-L840 WeakPolarHBondContact O-CA 3.24Å; V833-A841 HydrophobicContact CB-CB 4.08Å; V833-A841 HydrophobicContact CG2-CB 4.36Å; V833-A841 PolarHBondContact N-O 3.33Å; V833-A841 VanDerWaalsContact N-O 3.16Å; V833-A841 PolarHBondContact O-N 3.22Å
834C92.1Very high93.3Very high10 Ų1029.6 Ų29.67%0.06816%0.159CC..EExtended strand (participates in β ladder)trans-109.3107.3170.1170.10000108.1S836 L840 R965 F973C834-S836 PolarHBondContact SG-O 2.93Å; C834-S836 VanDerWaalsContact SG-O 3.41Å; C834-L840 HydrophobicContact CB-CD2 3.71Å; C834-R965 VanDerWaalsContact O-CD 3.24Å; C834-R965 WeakPolarHBondContact O-CD 3.42Å; C834-R965 VanDerWaalsContact O-CG 3.26Å; C834-R965 WeakPolarHBondContact O-CG 3.4Å; C834-F973 HydrophobicContact CB-CD2 4.16Å; C834-F973 HydrophobicContact CB-CE2 4.05Å
835Y91Very high93.4Very high46 Ų4624.2 Ų24.218%0.1813%0.131CC..EExtended strand (participates in β ladder)trans-82.6-34.8179.3-51.9-51.5000111.9V833 S839 A841 S918 T919 E920 R965V833-Y835 HydrophobicContact CB-CD1 4.3Å; V833-Y835 HydrophobicContact CB-CE1 3.77Å; V833-Y835 HydrophobicContact CG1-CD1 3.67Å; V833-Y835 HydrophobicContact CG1-CE1 3.46Å; V833-Y835 VanDerWaalsContact CG1-CE1 3.46Å; Y835-S839 PolarHBondContact N-O 2.98Å; Y835-S839 VanDerWaalsContact N-O 3.1Å; Y835-A841 HydrophobicContact CE2-CB 3.97Å; Y835-A841 WeakPolarHBondContact OH-CB 3.29Å; Y835-S918 PolarHBondContact OH-OG 3.1Å; Y835-T919 WeakPolarHBondContact CE2-OG1 3.39Å; Y835-T919 WeakPolarHBondContact OH-CA 3.43Å; Y835-T919 PolarHBondContact OH-N 3.45Å; Y835-T919 PolarHBondContact OH-OG1 3.45Å; Y835-E920 HydrophobicContact CD1-CG 4.19Å; Y835-E920 HydrophobicContact CE1-CG 3.48Å; Y835-E920 VanDerWaalsContact CE1-CG 3.48Å; Y835-E920 PolarHBondContact OH-N 3.42Å; Y835-R965 WeakPolarHBondContact O-CD 3.24Å; Y835-R965 WeakPolarHBondContact O-CG 3.39Å
836S92.1Very high93.2Very high16 Ų1627 Ų2711%0.11214%0.138CC..EExtended strand (participates in β ladder)trans-156.9171.9176.870.70000110.2C834 A838 S839C834-S836 PolarHBondContact SG-O 2.93Å; C834-S836 VanDerWaalsContact SG-O 3.41Å; S836-A838 PolarHBondContact O-N 2.93Å; S836-A838 VanDerWaalsContact O-N 3.07Å; S836-A838 PolarHBondContact OG-N 3.05Å; S836-S839 PolarHBondContact N-O 3.06Å; S836-S839 VanDerWaalsContact N-O 3.07Å; S836-S839 PolarHBondContact O-N 2.91Å; S836-S839 PolarHBondContact OG-N 2.88Å
837P92.5Very high93Very high1 Ų125.6 Ų25.61%0.00613%0.128CC..THydrogen-bonded Turntrans-54.2-18.5168.6-3039000115.6W960 A964 V968 V1013P837-W960 HydrophobicContact CB-CD2 4.21Å; P837-W960 HydrophobicContact CB-CE3 4.12Å; P837-W960 HydrophobicContact CB-CH2 4.07Å; P837-W960 HydrophobicContact CB-CZ2 4.19Å; P837-W960 HydrophobicContact CB-CZ3 4.04Å; P837-W960 HydrophobicContact CG-CD2 3.85Å; P837-W960 HydrophobicContact CG-CE3 3.61Å; P837-W960 HydrophobicContact CG-CG 4.37Å; P837-W960 HydrophobicContact CG-CH2 4.43Å; P837-W960 HydrophobicContact CG-CZ3 3.92Å; P837-A964 HydrophobicContact CG-CB 3.8Å; P837-V968 HydrophobicContact CB-CG2 4.07Å; P837-V968 HydrophobicContact CG-CG2 4.02Å; P837-V1013 HydrophobicContact CB-CG1 3.95Å; P837-V1013 HydrophobicContact CB-CG2 3.8Å
838A93.6Very high92.8Very high9 Ų926.3 Ų26.37%0.07413%0.131CC..THydrogen-bonded Turntrans-120.6-0.5-175.200000115.1S836 R947 I948 L951 W960S836-A838 PolarHBondContact O-N 2.93Å; S836-A838 VanDerWaalsContact O-N 3.07Å; S836-A838 PolarHBondContact OG-N 3.05Å; A838-R947 VanDerWaalsContact O-CA 3.25Å; A838-R947 WeakPolarHBondContact O-CA 3.47Å; A838-I948 PolarHBondContact O-N 3.01Å; A838-L951 HydrophobicContact CB-CB 4.05Å; A838-L951 HydrophobicContact CB-CD2 3.92Å; A838-L951 HydrophobicContact CB-CG 3.95Å; A838-L951 VanDerWaalsContact CB-O 3.3Å; A838-L951 WeakPolarHBondContact CB-O 3.44Å; A838-W960 HydrophobicContact CB-CZ2 4.28Å
839S94.3Very high92.6Very high8 Ų823.8 Ų23.86%0.05613%0.13CC..EExtended strand (participates in β ladder)trans-148132.8-179.4166.60000111.5Y835 S836 D945 L946Y835-S839 PolarHBondContact N-O 2.98Å; Y835-S839 VanDerWaalsContact N-O 3.1Å; S836-S839 PolarHBondContact N-O 3.06Å; S836-S839 VanDerWaalsContact N-O 3.07Å; S836-S839 PolarHBondContact O-N 2.91Å; S836-S839 PolarHBondContact OG-N 2.88Å; S839-D945 PolarHBondContact OG-OD1 2.9Å; S839-D945 VanDerWaalsContact OG-OD1 3.05Å; S839-L946 WeakPolarHBondContact CA-O 3.33Å
840L95.3Very high92.3Very high3 Ų326 Ų262%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-138.4148.3-171.2-48.8173.7000110V831 V833 C834 V842 D945 L946 F973 I1001V831-L840 HydrophobicContact CG2-CD1 4.19Å; V833-L840 CarbonylContact O-C 3.57Å; V833-L840 WeakPolarHBondContact O-CA 3.24Å; C834-L840 HydrophobicContact CB-CD2 3.71Å; L840-V842 HydrophobicContact CB-CG1 3.9Å; L840-V842 HydrophobicContact CD1-CG1 4.39Å; L840-D945 WeakPolarHBondContact O-CA 3.34Å; L840-L946 PolarHBondContact N-O 3.24Å; L840-L946 PolarHBondContact O-N 3.44Å; L840-F973 HydrophobicContact CD1-CE1 4.3Å; L840-F973 HydrophobicContact CD1-CE2 4.36Å; L840-F973 HydrophobicContact CD1-CZ 3.62Å; L840-F973 HydrophobicContact CD2-CE2 3.64Å; L840-F973 HydrophobicContact CD2-CZ 3.75Å; L840-F973 HydrophobicContact CG-CZ 4.37Å; L840-I1001 HydrophobicContact CD1-CD1 3.48Å; L840-I1001 VanDerWaalsContact CD1-CD1 3.48Å
841A95.1Very high92.1Very high0 Ų027.3 Ų27.30%016%0.158CC..EExtended strand (participates in β ladder)trans-88.3128.3155.400000109.4L832 V833 Y835 T919 M944L832-A841 HydrophobicContact CB-CB 4.38Å; L832-A841 WeakPolarHBondContact CB-O 3.48Å; L832-A841 PolarHBondContact N-O 3.09Å; V833-A841 HydrophobicContact CB-CB 4.08Å; V833-A841 HydrophobicContact CG2-CB 4.36Å; V833-A841 PolarHBondContact N-O 3.33Å; V833-A841 VanDerWaalsContact N-O 3.16Å; V833-A841 PolarHBondContact O-N 3.22Å; Y835-A841 HydrophobicContact CE2-CB 3.97Å; Y835-A841 WeakPolarHBondContact OH-CB 3.29Å; A841-T919 HydrophobicContact CB-CG2 4.44Å; A841-M944 WeakPolarHBondContact CA-O 3.44Å
842V95.1Very high91.9Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-130159.8-178.5-54.40000111.1F829 L830 V831 L840 M944 L946F829-V842 HydrophobicContact CB-CB 4.18Å; F829-V842 HydrophobicContact CB-CG2 4.4Å; F829-V842 HydrophobicContact CD2-CB 3.68Å; F829-V842 HydrophobicContact CD2-CG1 3.52Å; F829-V842 HydrophobicContact CD2-CG2 4.33Å; F829-V842 HydrophobicContact CE2-CB 4.38Å; F829-V842 HydrophobicContact CE2-CG1 3.73Å; F829-V842 HydrophobicContact CG-CB 4.14Å; F829-V842 HydrophobicContact CG-CG1 4.37Å; F829-V842 HydrophobicContact CG-CG2 4.4Å; L830-V842 CarbonylContact O-C 3.53Å; L830-V842 VanDerWaalsContact O-CA 3.31Å; L830-V842 WeakPolarHBondContact O-CA 3.35Å; V831-V842 HydrophobicContact CG2-CG1 4.41Å; L840-V842 HydrophobicContact CB-CG1 3.9Å; L840-V842 HydrophobicContact CD1-CG1 4.39Å; V842-M944 HydrophobicContact CG2-CB 4.33Å; V842-M944 PolarHBondContact N-O 3.04Å; V842-M944 PolarHBondContact O-N 3.25Å; V842-L946 HydrophobicContact CB-CB 4.47Å; V842-L946 HydrophobicContact CG1-CB 3.86Å; V842-L946 HydrophobicContact CG1-CD2 3.82Å; V842-L946 HydrophobicContact CG1-CG 4.5Å; V842-L946 HydrophobicContact CG2-CB 3.74Å; V842-L946 HydrophobicContact CG2-CD2 4.2Å; V842-L946 HydrophobicContact CG2-CG 4.48Å
843R94.4Very high91.6Very high4 Ų431.5 Ų31.52%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-126126.9169.8-179.8172.969.6159.26.8110.5F829 L830 L832 S845 F848 T850 E942F829-R843 CarbonylContact C-O 3.52Å; F829-R843 VanDerWaalsContact CA-O 3.23Å; F829-R843 WeakPolarHBondContact CA-O 3.28Å; F829-R843 WeakPolarHBondContact CB-O 3.47Å; L830-R843 PolarHBondContact N-O 2.9Å; L830-R843 PolarHBondContact O-N 2.83Å; L832-R843 HydrophobicContact CD1-CB 4Å; L832-R843 HydrophobicContact CD2-CB 4.21Å; L832-R843 HydrophobicContact CG-CB 4.17Å; R843-S845 PolarHBondContact O-N 3.1Å; R843-F848 HydrophobicContact CG-CB 3.67Å; R843-F848 HydrophobicContact CG-CD2 4.31Å; R843-F848 HydrophobicContact CG-CG 4.4Å; R843-F848 PolarHBondContact NE-O 3.43Å; R843-T850 PolarHBondContact NH2-OG1 2.77Å; R843-E942 WeakPolarHBondContact CD-OE2 3.44Å; R843-E942 HydrophobicContact CG-CB 4.19Å; R843-E942 IonicContact CZ-OE2 3.7Å; R843-E942 IonicContact NE-OE2 2.92Å; R843-E942 IonicContact NH1-OE2 2.68Å; R843-E942 PolarHBondContact NH1-OE2 3.36Å
844L94.7Very high91.2Very high5 Ų532.7 Ų32.73%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-67.3117-179.8-57.4-176.7000109.9P822 I827 F829 D846 Q847 F848 M944P822-L844 HydrophobicContact CG-CD1 3.84Å; I827-L844 HydrophobicContact CB-CD2 4.17Å; I827-L844 HydrophobicContact CD1-CD2 4.08Å; I827-L844 HydrophobicContact CG2-CD2 4.43Å; F829-L844 HydrophobicContact CB-CD2 4.19Å; L844-D846 VanDerWaalsContact C-N 3.3Å; L844-D846 PolarHBondContact O-N 2.88Å; L844-Q847 HydrophobicContact CB-CB 4.26Å; L844-Q847 HydrophobicContact CB-CG 4.39Å; L844-Q847 HydrophobicContact CD1-CG 4.44Å; L844-Q847 PolarHBondContact O-N 3.5Å; L844-F848 HydrophobicContact CB-CD2 4.49Å; L844-F848 PolarHBondContact O-N 3.4Å; L844-M944 HydrophobicContact CD1-CE 3.82Å; L844-M944 HydrophobicContact CD1-SD 3.57Å; L844-M944 VanDerWaalsContact CD1-SD 3.57Å; L844-M944 HydrophobicContact CD2-SD 4.39Å; L844-M944 HydrophobicContact CG-CE 4.26Å; L844-M944 HydrophobicContact CG-SD 3.71Å
845S91.3Very high90.6Very high14 Ų1437.5 Ų37.510%0.09820%0.2CC..THydrogen-bonded Turntrans-72.7-25.3-173.3-65.40000113R828 R843R828-S845 PolarHBondContact O-N 3Å; R843-S845 PolarHBondContact O-N 3.1Å
846D90.1Very high90Very high92 Ų9241.4 Ų41.449%0.49222%0.223SC..THydrogen-bonded Turntrans-79.1-24.7178.5-57.8-48.3000112.9R828 L844R828-D846 WeakPolarHBondContact CB-OD2 3.23Å; R828-D846 IonicContact CZ-OD1 3.46Å; R828-D846 VanDerWaalsContact CZ-OD1 3.25Å; R828-D846 IonicContact CZ-OD2 3.59Å; R828-D846 IonicContact NE-OD1 3.33Å; R828-D846 PolarHBondContact NE-OD1 2.77Å; R828-D846 IonicContact NE-OD2 3.49Å; R828-D846 PolarHBondContact NE-OD2 3.18Å; R828-D846 IonicContact NH2-OD1 3.51Å; R828-D846 PolarHBondContact NH2-OD1 3.45Å; R828-D846 IonicContact NH2-OD2 2.67Å; L844-D846 VanDerWaalsContact C-N 3.3Å; L844-D846 PolarHBondContact O-N 2.88Å
847Q90.6Very high89.5Confident85 Ų8542.8 Ų42.840%0.39723%0.228SC..THydrogen-bonded Turntrans-98.2-39.8177.1-64.7-176.50.900112.3H820 L844 P849H820-Q847 PolarHBondContact O-NE2 3.49Å; H820-Q847 PolarHBondContact O-OE1 3.33Å; L844-Q847 HydrophobicContact CB-CB 4.26Å; L844-Q847 HydrophobicContact CB-CG 4.39Å; L844-Q847 HydrophobicContact CD1-CG 4.44Å; L844-Q847 PolarHBondContact O-N 3.5Å; Q847-P849 WeakPolarHBondContact O-CD 3.13Å
848F92.2Very high89.1Confident25 Ų2543.5 Ų43.511%0.1123%0.232CC..SBendtrans-128.175.1-173.1-50.7-68.4000109.8R843 L844 P940 E942 M944R843-F848 HydrophobicContact CG-CB 3.67Å; R843-F848 HydrophobicContact CG-CD2 4.31Å; R843-F848 HydrophobicContact CG-CG 4.4Å; R843-F848 PolarHBondContact NE-O 3.43Å; L844-F848 HydrophobicContact CB-CD2 4.49Å; L844-F848 PolarHBondContact O-N 3.4Å; F848-P940 HydrophobicContact CE1-CG 4Å; F848-P940 HydrophobicContact CZ-CG 4.05Å; F848-E942 HydrophobicContact CB-CG 4.24Å; F848-E942 HydrophobicContact CD1-CG 3.8Å; F848-E942 HydrophobicContact CD2-CB 4.45Å; F848-E942 HydrophobicContact CD2-CG 4.43Å; F848-E942 HydrophobicContact CE1-CG 4.27Å; F848-E942 HydrophobicContact CG-CB 4.29Å; F848-E942 HydrophobicContact CG-CG 3.89Å; F848-M944 HydrophobicContact CE2-CE 4Å
849P91Very high88.8Confident67 Ų6743.8 Ų43.844%0.43523%0.232SC..  trans-62.5162.3-177.926-34.7000112.3Q847 A851 S860Q847-P849 WeakPolarHBondContact O-CD 3.13Å; P849-A851 PolarHBondContact O-N 3.3Å; P849-S860 WeakPolarHBondContact O-CA 3.46Å
850T89.3Confident88.7Confident47 Ų4743.6 Ų43.629%0.28823%0.231SC..  trans-86.1109.7174.4-55.70000109.5R843 P858 M859R843-T850 PolarHBondContact NH2-OG1 2.77Å; T850-P858 HydrophobicContact CG2-CB 3.65Å; T850-M859 CarbonylContact C-O 3.6Å; T850-M859 WeakPolarHBondContact CA-O 3.22Å
851A88.3Confident88.6Confident47 Ų4748 Ų4839%0.38825%0.254SS..  trans-78.4-50.8176.200000111.4P849 M859 D861P849-A851 PolarHBondContact O-N 3.3Å; A851-M859 PolarHBondContact N-O 3.23Å; A851-D861 VanDerWaalsContact CB-OD1 3.31Å; A851-D861 WeakPolarHBondContact CB-OD1 3.48Å
852I87.5Confident88.5Confident68 Ų6848.4 Ų48.435%0.34926%0.257SS..EExtended strand (participates in β ladder)trans-140.6161.8-174.5-165.1164.3000111.9M859 E864I852-M859 HydrophobicContact CG2-CB 4.05Å; I852-M859 HydrophobicContact CG2-CE 3.61Å; I852-M859 PolarHBondContact N-O 3.27Å; I852-M859 PolarHBondContact O-N 2.94Å; I852-E864 WeakPolarHBondContact CB-OE2 3.39Å; I852-E864 HydrophobicContact CG2-CB 4.04Å; I852-E864 HydrophobicContact CG2-CG 4.05Å; I852-E864 WeakPolarHBondContact CG2-OE2 3.33Å
853R83.1Confident88.3Confident76 Ų7649.1 Ų49.129%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-113.8111.1168.1-73.1-177.6172-80.1-12111N856 F857 R980 N981R853-N856 PolarHBondContact NH1-O 3.14Å; R853-F857 CarbonylContact C-O 3.6Å; R853-F857 VanDerWaalsContact CA-O 3.26Å; R853-F857 WeakPolarHBondContact CA-O 3.43Å; R853-R980 VanDerWaalsContact CZ-O 3.24Å; R853-R980 PolarHBondContact NH2-O 3.38Å; R853-N981 PolarHBondContact NE-OD1 3.3Å; R853-N981 VanDerWaalsContact NE-OD1 3.11Å; R853-N981 PolarHBondContact NH2-OD1 3.21Å
854F81.8Confident88.3Confident63 Ų6350.4 Ų50.428%0.27627%0.27SS..EExtended strand (participates in β ladder)trans-105.1122.7177.2179.5-95.9000109.7N856 F857 M859 N894 R895F854-N856 PolarHBondContact O-N 2.97Å; F854-F857 PolarHBondContact N-O 3.24Å; F854-F857 WeakPolarHBondContact O-CA 3.49Å; F854-F857 WeakPolarHBondContact O-CB 3.24Å; F854-F857 PolarHBondContact O-N 3.42Å; F854-M859 HydrophobicContact CB-CE 3.49Å; F854-M859 VanDerWaalsContact CB-CE 3.49Å; F854-M859 HydrophobicContact CB-CG 4.45Å; F854-M859 HydrophobicContact CB-SD 3.82Å; F854-M859 HydrophobicContact CG-CE 4.17Å; F854-M859 HydrophobicContact CG-SD 4.42Å; F854-N894 WeakPolarHBondContact CE1-O 3.16Å; F854-R895 HydrophobicContact CD1-CG 3.78Å; F854-R895 HydrophobicContact CE1-CG 3.77Å
855L79.9Confident88.2Confident112 Ų11255.9 Ų55.959%0.58629%0.29SS*.THydrogen-bonded Turntrans49.742-173.1-56.4177.4000112.8F857 N894L855-F857 PolarHBondContact O-N 3.35Å; L855-F857 VanDerWaalsContact O-N 3.17Å; L855-N894 HydrophobicContact CD1-CB 3.66Å
856N78.1Confident88.4Confident127 Ų12755.2 Ų55.268%0.67929%0.286SS*.THydrogen-bonded Turntrans66.3-7.7-171.3-59.7-63.8000116.7R853 F854R853-N856 PolarHBondContact NH1-O 3.14Å; F854-N856 PolarHBondContact O-N 2.97Å
857F80.4Confident88.6Confident46 Ų4651.3 Ų51.320%0.20226%0.264CS..EExtended strand (participates in β ladder)trans-78131.5176.6-167.4-85.5000111.7L832 R853 F854 L855 M859 R895 T917L832-F857 HydrophobicContact CD2-CZ 4.19Å; R853-F857 CarbonylContact C-O 3.6Å; R853-F857 VanDerWaalsContact CA-O 3.26Å; R853-F857 WeakPolarHBondContact CA-O 3.43Å; F854-F857 PolarHBondContact N-O 3.24Å; F854-F857 WeakPolarHBondContact O-CA 3.49Å; F854-F857 WeakPolarHBondContact O-CB 3.24Å; F854-F857 PolarHBondContact O-N 3.42Å; L855-F857 PolarHBondContact O-N 3.35Å; L855-F857 VanDerWaalsContact O-N 3.17Å; F857-M859 HydrophobicContact CD1-CG 4.14Å; F857-R895 VanDerWaalsContact CE1-NH1 3.3Å; F857-R895 VanDerWaalsContact CG-NH1 3.3Å; F857-T917 HydrophobicContact CE1-CG2 3.66Å; F857-T917 HydrophobicContact CZ-CG2 3.77Å
858P84.6Confident88.7Confident15 Ų1554.7 Ų54.710%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-76121.4178.131-32.6000111.6L830 T850L830-P858 HydrophobicContact CD2-CB 3.66Å; L830-P858 HydrophobicContact CD2-CG 3.5Å; T850-P858 HydrophobicContact CG2-CB 3.65Å
859M88.1Confident88.9Confident16 Ų1655.6 Ų55.68%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-112.7158.1176.1-56.1-166.2-48.200110.9T850 A851 I852 F854 F857 E864 Q867T850-M859 CarbonylContact C-O 3.6Å; T850-M859 WeakPolarHBondContact CA-O 3.22Å; A851-M859 PolarHBondContact N-O 3.23Å; I852-M859 HydrophobicContact CG2-CB 4.05Å; I852-M859 HydrophobicContact CG2-CE 3.61Å; I852-M859 PolarHBondContact N-O 3.27Å; I852-M859 PolarHBondContact O-N 2.94Å; F854-M859 HydrophobicContact CB-CE 3.49Å; F854-M859 VanDerWaalsContact CB-CE 3.49Å; F854-M859 HydrophobicContact CB-CG 4.45Å; F854-M859 HydrophobicContact CB-SD 3.82Å; F854-M859 HydrophobicContact CG-CE 4.17Å; F854-M859 HydrophobicContact CG-SD 4.42Å; F857-M859 HydrophobicContact CD1-CG 4.14Å; M859-E864 HydrophobicContact CE-CB 4.37Å; M859-Q867 HydrophobicContact CE-CB 4.34Å
860S92.1Very high89.1Confident4 Ų452.4 Ų52.43%0.02826%0.257CS..  trans-89.9177.9167.953.80000110.4P849 L862 G863 E864 E942P849-S860 WeakPolarHBondContact O-CA 3.46Å; S860-L862 PolarHBondContact O-N 3.13Å; S860-L862 PolarHBondContact OG-N 3.17Å; S860-G863 PolarHBondContact O-N 3.49Å; S860-G863 PolarHBondContact OG-N 3.36Å; S860-E864 VanDerWaalsContact O-CB 3.3Å; S860-E864 WeakPolarHBondContact O-CB 3.24Å; S860-E864 PolarHBondContact O-N 2.83Å; S860-E942 WeakPolarHBondContact CB-OE1 3.44Å; S860-E942 WeakPolarHBondContact CB-OE2 3.49Å; S860-E942 PolarHBondContact OG-OE1 2.67Å; S860-E942 PolarHBondContact OG-OE2 3.29Å
861D92.6Very high89.3Confident94 Ų9454 Ų5450%0.50326%0.261SS..Hα-helixtrans-56.8-30.8165.8-54.6-63.1000112.6A851 R865A851-D861 VanDerWaalsContact CB-OD1 3.31Å; A851-D861 WeakPolarHBondContact CB-OD1 3.48Å; D861-R865 WeakPolarHBondContact O-CB 3.1Å; D861-R865 WeakPolarHBondContact O-CG 3.22Å; D861-R865 PolarHBondContact O-N 2.89Å; D861-R865 VanDerWaalsContact O-N 3.08Å; D861-R865 PolarHBondContact O-NE 2.93Å
862L93.1Very high89.6Confident10 Ų1056.8 Ų56.85%0.05227%0.269CS..Hα-helixtrans-73.4-49.8175.2178.661.5000111.3S860 E864 R865 V866 F936 S939 E942S860-L862 PolarHBondContact O-N 3.13Å; S860-L862 PolarHBondContact OG-N 3.17Å; L862-E864 VanDerWaalsContact C-N 3.26Å; L862-E864 PolarHBondContact O-N 3.29Å; L862-R865 PolarHBondContact O-N 3.15Å; L862-R865 VanDerWaalsContact O-N 3.15Å; L862-V866 HydrophobicContact CD1-CG2 4.16Å; L862-V866 HydrophobicContact CG-CG2 4.48Å; L862-V866 WeakPolarHBondContact O-CG2 3.43Å; L862-V866 PolarHBondContact O-N 3.04Å; L862-F936 HydrophobicContact CD1-CD1 3.9Å; L862-S939 VanDerWaalsContact CD2-CB 3.5Å; L862-E942 WeakPolarHBondContact CB-OE1 3.43Å
863G92Very high89.8Confident14 Ų1460.6 Ų60.614%0.14429%0.286CS..Hα-helixtrans-59.2-38176.200000112.5S860 Q867S860-G863 PolarHBondContact O-N 3.49Å; S860-G863 PolarHBondContact OG-N 3.36Å; G863-Q867 WeakPolarHBondContact O-CB 3.28Å; G863-Q867 PolarHBondContact O-N 2.86Å
864E92.8Very high90.3Very high31 Ų3160.9 Ų60.915%0.14530%0.304CS..Hα-helixtrans-65-43.7173.7-175.3174.6153.400112.7I852 M859 S860 L862 R868I852-E864 WeakPolarHBondContact CB-OE2 3.39Å; I852-E864 HydrophobicContact CG2-CB 4.04Å; I852-E864 HydrophobicContact CG2-CG 4.05Å; I852-E864 WeakPolarHBondContact CG2-OE2 3.33Å; M859-E864 HydrophobicContact CE-CB 4.37Å; S860-E864 VanDerWaalsContact O-CB 3.3Å; S860-E864 WeakPolarHBondContact O-CB 3.24Å; S860-E864 PolarHBondContact O-N 2.83Å; L862-E864 VanDerWaalsContact C-N 3.26Å; L862-E864 PolarHBondContact O-N 3.29Å; E864-R868 WeakPolarHBondContact O-CB 3.43Å; E864-R868 WeakPolarHBondContact O-CG 3.47Å; E864-R868 PolarHBondContact O-N 2.64Å; E864-R868 IonicContact OE1-CZ 3.15Å; E864-R868 IonicContact OE1-NH1 3.92Å; E864-R868 PolarHBondContact OE1-NH1 3.14Å; E864-R868 IonicContact OE1-NH2 2.68Å; E864-R868 PolarHBondContact OE1-NH2 2.87Å
865R94.3Very high90.8Very high120 Ų12059.8 Ų59.845%0.45330%0.301SS..Hα-helixtrans-66-42.8175.6-75.2-178.6-58.7147.93.3112.3D861 L862 R868 H869 F936D861-R865 WeakPolarHBondContact O-CB 3.1Å; D861-R865 WeakPolarHBondContact O-CG 3.22Å; D861-R865 PolarHBondContact O-N 2.89Å; D861-R865 VanDerWaalsContact O-N 3.08Å; D861-R865 PolarHBondContact O-NE 2.93Å; L862-R865 PolarHBondContact O-N 3.15Å; L862-R865 VanDerWaalsContact O-N 3.15Å; R865-R868 PolarHBondContact O-N 2.75Å; R865-H869 VanDerWaalsContact O-CB 3.28Å; R865-H869 WeakPolarHBondContact O-CB 3.48Å; R865-H869 PolarHBondContact O-N 2.8Å; R865-F936 HydrophobicContact CB-CE1 3.9Å; R865-F936 HydrophobicContact CB-CZ 4.3Å
866V94.4Very high91.4Very high1 Ų157 Ų571%0.00628%0.283CS..Hα-helixtrans-61.8-49.2176172.40000110.1L862 R868 H869 Y870 R898 F936L862-V866 HydrophobicContact CD1-CG2 4.16Å; L862-V866 HydrophobicContact CG-CG2 4.48Å; L862-V866 WeakPolarHBondContact O-CG2 3.43Å; L862-V866 PolarHBondContact O-N 3.04Å; V866-R868 PolarHBondContact O-N 2.85Å; V866-H869 PolarHBondContact O-N 3.12Å; V866-Y870 HydrophobicContact CG1-CD2 4.06Å; V866-Y870 HydrophobicContact CG1-CE2 4.39Å; V866-Y870 WeakPolarHBondContact O-CD2 3.46Å; V866-Y870 PolarHBondContact O-N 2.96Å; V866-Y870 VanDerWaalsContact O-N 3.09Å; V866-R898 HydrophobicContact CG1-CG 4.4Å; V866-R898 HydrophobicContact CG2-CG 4.09Å; V866-F936 HydrophobicContact CG2-CB 4.38Å; V866-F936 HydrophobicContact CG2-CD1 3.84Å; V866-F936 HydrophobicContact CG2-CD2 3.92Å; V866-F936 HydrophobicContact CG2-CE1 4.04Å; V866-F936 HydrophobicContact CG2-CE2 4.12Å; V866-F936 HydrophobicContact CG2-CG 3.79Å; V866-F936 HydrophobicContact CG2-CZ 4.18Å
867Q94.4Very high92.1Very high9 Ų956.5 Ų56.54%0.04228%0.276CS..Hα-helixtrans-56.8-53176.9-174.470.433.300111.2M859 G863 H869 Y870 E871 N894 R895M859-Q867 HydrophobicContact CE-CB 4.34Å; G863-Q867 WeakPolarHBondContact O-CB 3.28Å; G863-Q867 PolarHBondContact O-N 2.86Å; Q867-H869 VanDerWaalsContact C-N 3.29Å; Q867-H869 PolarHBondContact O-N 3.5Å; Q867-Y870 PolarHBondContact O-N 3.13Å; Q867-E871 PolarHBondContact NE2-OE2 2.7Å; Q867-E871 WeakPolarHBondContact O-CB 3.44Å; Q867-E871 PolarHBondContact O-N 2.9Å; Q867-N894 PolarHBondContact NE2-O 3.44Å; Q867-R895 VanDerWaalsContact OE1-CA 3.23Å
868R93.4Very high92.7Very high157 Ų15759.8 Ų59.859%0.59229%0.293SS*.Hα-helixtrans-59.8-37.7-179.8-78.1-174.5178.8133.110.3113E864 R865 V866E864-R868 WeakPolarHBondContact O-CB 3.43Å; E864-R868 WeakPolarHBondContact O-CG 3.47Å; E864-R868 PolarHBondContact O-N 2.64Å; E864-R868 IonicContact OE1-CZ 3.15Å; E864-R868 IonicContact OE1-NH1 3.92Å; E864-R868 PolarHBondContact OE1-NH1 3.14Å; E864-R868 IonicContact OE1-NH2 2.68Å; E864-R868 PolarHBondContact OE1-NH2 2.87Å; R865-R868 PolarHBondContact O-N 2.75Å; V866-R868 PolarHBondContact O-N 2.85Å
869H95.1Very high93Very high44 Ų4459.6 Ų59.620%0.20429%0.291CS..Hα-helixtrans-68.1-50.9-178.7-174.987.4000111.7R865 V866 Q867 L872 N875 F936R865-H869 VanDerWaalsContact O-CB 3.28Å; R865-H869 WeakPolarHBondContact O-CB 3.48Å; R865-H869 PolarHBondContact O-N 2.8Å; V866-H869 PolarHBondContact O-N 3.12Å; Q867-H869 VanDerWaalsContact C-N 3.29Å; Q867-H869 PolarHBondContact O-N 3.5Å; H869-L872 PolarHBondContact O-N 2.94Å; H869-N875 WeakPolarHBondContact O-CB 3.36Å; H869-N875 PolarHBondContact O-ND2 3.34Å; H869-F936 HydrophobicContact CB-CE2 3.75Å; H869-F936 HydrophobicContact CB-CZ 3.79Å; H869-F936 AromaticContact CD2-CE2 3.89Å; H869-F936 AromaticContact CG-CE2 3.76Å
870Y95.2Very high92.8Very high0 Ų064.3 Ų64.30%032%0.323CS..Hα-helixtrans-83.9-9.9-176.1-70.1-83.6000114.4V866 Q867 L872 R876 V889 Y896 S931 C932 V933 F936V866-Y870 HydrophobicContact CG1-CD2 4.06Å; V866-Y870 HydrophobicContact CG1-CE2 4.39Å; V866-Y870 WeakPolarHBondContact O-CD2 3.46Å; V866-Y870 PolarHBondContact O-N 2.96Å; V866-Y870 VanDerWaalsContact O-N 3.09Å; Q867-Y870 PolarHBondContact O-N 3.13Å; Y870-L872 PolarHBondContact O-N 3.41Å; Y870-R876 WeakPolarHBondContact O-CG 3.41Å; Y870-R876 PolarHBondContact O-NE 3.14Å; Y870-V889 HydrophobicContact CD1-CG1 4.38Å; Y870-V889 HydrophobicContact CD2-CG1 3.99Å; Y870-V889 HydrophobicContact CD2-CG2 4.41Å; Y870-V889 HydrophobicContact CE1-CB 4.38Å; Y870-V889 HydrophobicContact CE1-CG1 4.48Å; Y870-V889 HydrophobicContact CE2-CB 4.24Å; Y870-V889 HydrophobicContact CE2-CG1 4.12Å; Y870-V889 HydrophobicContact CE2-CG2 3.73Å; Y870-V889 HydrophobicContact CG-CG1 4.14Å; Y870-Y896 VanDerWaalsContact CB-CD1 3.47Å; Y870-Y896 VanDerWaalsContact CB-CG 3.43Å; Y870-Y896 HydrophobicContact CG-CD1 4.29Å; Y870-Y896 HydrophobicContact CG-CG 4.43Å; Y870-Y896 WeakPolarHBondContact O-CE2 3.33Å; Y870-S931 PolarHBondContact OH-O 3.1Å; Y870-C932 WeakPolarHBondContact OH-CA 3.24Å; Y870-V933 PolarHBondContact OH-N 2.66Å; Y870-V933 VanDerWaalsContact OH-N 3.16Å; Y870-F936 HydrophobicContact CD2-CE2 4.45Å; Y870-F936 AromaticContact CE2-CD2 3.9Å; Y870-F936 HydrophobicContact CE2-CD2 3.9Å; Y870-F936 AromaticContact CE2-CE2 3.85Å; Y870-F936 HydrophobicContact CE2-CE2 3.85Å
871E93.6Very high92.6Very high80 Ų8069.5 Ų69.537%0.37435%0.35SS..Hα-helixtrans-62.9-28.7166.7-154.465.6-118.100111.5Q867 E873 R876Q867-E871 PolarHBondContact NE2-OE2 2.7Å; Q867-E871 WeakPolarHBondContact O-CB 3.44Å; Q867-E871 PolarHBondContact O-N 2.9Å; E871-E873 PolarHBondContact O-N 3.26Å; E871-R876 PolarHBondContact O-NH2 3.25Å; E871-R876 IonicContact OE1-NH2 3.55Å
872L94.8Very high92.4Very high106 Ų10665.6 Ų65.656%0.55533%0.33SS*.SBendtrans-76.2120.9173.1-60174.6000110.7H869 Y870 A874 N875H869-L872 PolarHBondContact O-N 2.94Å; Y870-L872 PolarHBondContact O-N 3.41Å; L872-A874 VanDerWaalsContact C-N 3.26Å; L872-A874 PolarHBondContact O-N 3.35Å; L872-N875 PolarHBondContact O-N 3.25Å
873E91.4Very high92.3Very high148 Ų14868.4 Ų68.469%0.69235%0.348SS*.G310 helixtrans-61.7-35-174.3-47.2-146.6121.900112.9E871 N875 R876E871-E873 PolarHBondContact O-N 3.26Å; E873-N875 PolarHBondContact O-N 3.29Å; E873-N875 VanDerWaalsContact O-N 3.08Å; E873-R876 WeakPolarHBondContact O-CB 3.42Å; E873-R876 PolarHBondContact O-N 2.59Å; E873-R876 IonicContact OE1-CZ 3.49Å; E873-R876 IonicContact OE1-NH1 3.82Å; E873-R876 PolarHBondContact OE1-NH1 3.38Å; E873-R876 IonicContact OE1-NH2 2.67Å
874A93.5Very high92.1Very high82 Ų8270.9 Ų70.968%0.67836%0.361SS*.G310 helixtrans-59.6-17.3175.800000114.4L872 H877L872-A874 VanDerWaalsContact C-N 3.26Å; L872-A874 PolarHBondContact O-N 3.35Å; A874-H877 PolarHBondContact O-CE1 2.99Å
875N92.8Very high91.8Very high39 Ų3971.7 Ų71.721%0.20938%0.378CS..G310 helixtrans-95.9-9.8177.3-65.5-25.9000113H869 L872 E873 H877H869-N875 WeakPolarHBondContact O-CB 3.36Å; H869-N875 PolarHBondContact O-ND2 3.34Å; L872-N875 PolarHBondContact O-N 3.25Å; E873-N875 PolarHBondContact O-N 3.29Å; E873-N875 VanDerWaalsContact O-N 3.08Å; N875-H877 PolarHBondContact O-N 3.29Å; N875-H877 PolarHBondContact O-ND1 2.88Å; N875-H877 VanDerWaalsContact O-ND1 3.15Å
876R93.1Very high91.6Very high55 Ų5568.8 Ų68.821%0.20837%0.37CS..  trans-81.855.5-173.5-58.9-178.8-166.7155.94.9112.7Y870 E871 E873 M878 Y896 Y930Y870-R876 WeakPolarHBondContact O-CG 3.41Å; Y870-R876 PolarHBondContact O-NE 3.14Å; E871-R876 PolarHBondContact O-NH2 3.25Å; E871-R876 IonicContact OE1-NH2 3.55Å; E873-R876 WeakPolarHBondContact O-CB 3.42Å; E873-R876 PolarHBondContact O-N 2.59Å; E873-R876 IonicContact OE1-CZ 3.49Å; E873-R876 IonicContact OE1-NH1 3.82Å; E873-R876 PolarHBondContact OE1-NH1 3.38Å; E873-R876 IonicContact OE1-NH2 2.67Å; R876-M878 PolarHBondContact O-N 2.73Å; R876-Y896 VanDerWaalsContact CZ-OH 3.26Å; R876-Y896 PolarHBondContact NE-OH 2.78Å; R876-Y896 PolarHBondContact NH2-OH 2.7Å; R876-Y930 HydrophobicContact CB-CD1 3.99Å; R876-Y930 HydrophobicContact CB-CE1 3.77Å
877H93.1Very high91.6Very high115 Ų11571.1 Ų71.153%0.53238%0.381SS..PPolyproline II helixtrans-68.7118.7175.9-58.591.6000110.1A874 N875 Y930 S931A874-H877 PolarHBondContact O-CE1 2.99Å; N875-H877 PolarHBondContact O-N 3.29Å; N875-H877 PolarHBondContact O-ND1 2.88Å; N875-H877 VanDerWaalsContact O-ND1 3.15Å; H877-Y930 CarbonylContact O-C 3.51Å; H877-Y930 VanDerWaalsContact O-CA 3.22Å; H877-Y930 WeakPolarHBondContact O-CA 3.46Å; H877-S931 PolarHBondContact O-N 3.1Å
878M92.2Very high91.6Very high115 Ų11570.7 Ų70.757%0.56738%0.379SS*.BIsolated β-bridgetrans-59141.6173.9-81.7177.346.200111R876 L929R876-M878 PolarHBondContact O-N 2.73Å; M878-L929 WeakPolarHBondContact CA-O 3.43Å
879H90.6Very high91.7Very high11 Ų1163.2 Ų63.25%0.05135%0.351CS..PPolyproline II helixtrans-68.8120.1177.6-162.5-64.1000109.9N881 P882 E886 L929H879-N881 PolarHBondContact CE1-O 3.38Å; H879-N881 PolarHBondContact ND1-N 3Å; H879-P882 HydrophobicContact CB-CG 4.33Å; H879-E886 IonicContact CE1-OE1 3.66Å; H879-E886 PolarHBondContact CE1-OE1 2.85Å; H879-E886 IonicContact CE1-OE2 3.69Å; H879-E886 PolarHBondContact CE1-OE2 3.13Å; H879-E886 WeakPolarHBondContact NE2-CG 3.32Å; H879-E886 IonicContact NE2-OE1 2.71Å; H879-E886 PolarHBondContact NE2-OE1 3.28Å; H879-E886 IonicContact NE2-OE2 3.37Å; H879-E886 PolarHBondContact NE2-OE2 2.89Å; H879-L929 HydrophobicContact CB-CB 4.15Å; H879-L929 HydrophobicContact CB-CD2 3.91Å; H879-L929 HydrophobicContact CB-CG 4.03Å; H879-L929 PolarHBondContact N-O 2.68Å
880P84.8Confident91.7Very high115 Ų11561.1 Ų61.175%0.74734%0.341SS*.SBendtrans-74.6-31-167.528.2-35.2000113.6
881N87.9Confident91.6Very high113 Ų11364.8 Ų64.860%0.60436%0.357SS*.SBendtrans-157.991.5179.3-176.932.7000109.5H879 V883H879-N881 PolarHBondContact CE1-O 3.38Å; H879-N881 PolarHBondContact ND1-N 3Å; N881-V883 PolarHBondContact O-N 3.06Å
882P88.8Confident91.3Very high13 Ų1362.1 Ų62.18%0.08435%0.345CS..  trans-67.2124.1-176-22.234.8000112.1H879 I901 V904 V910 T926 L929H879-P882 HydrophobicContact CB-CG 4.33Å; P882-I901 HydrophobicContact CB-CD1 3.79Å; P882-V904 WeakPolarHBondContact O-CG2 3.46Å; P882-V910 HydrophobicContact CB-CG1 3.93Å; P882-V910 HydrophobicContact CG-CG1 4.19Å; P882-T926 HydrophobicContact CG-CG2 3.68Å; P882-L929 HydrophobicContact CB-CD2 3.72Å; P882-L929 HydrophobicContact CG-CD2 3.67Å
883V89.6Confident90.7Very high69 Ų6963.7 Ų63.742%0.41835%0.353SS..  trans-115138.1178.2-176.20000110.6N881 G885 E886 I901N881-V883 PolarHBondContact O-N 3.06Å; V883-G885 PolarHBondContact O-N 3.11Å; V883-E886 WeakPolarHBondContact O-CB 3.38Å; V883-E886 PolarHBondContact O-N 2.94Å; V883-E886 VanDerWaalsContact O-N 3.13Å; V883-I901 WeakPolarHBondContact O-CB 3.12Å; V883-I901 WeakPolarHBondContact O-CD1 3.4Å
884P87.9Confident90.4Very high66 Ų6661 Ų6143%0.42934%0.343SS..THydrogen-bonded Turntrans-54.4132.4172.6-25.936000112.3V904P884-V904 HydrophobicContact CG-CG2 4.37Å
885G86Confident90.2Very high48 Ų4858.8 Ų58.850%0.49532%0.317SS..THydrogen-bonded Turntrans99.5-21.5-174.100000114.6V883 I901V883-G885 PolarHBondContact O-N 3.11Å; G885-I901 PolarHBondContact N-O 2.77Å
886E90.8Very high90.2Very high59 Ų5957.3 Ų57.328%0.27631%0.309SS..  trans-81.5148.5-178.2-176.3178.5-177.600112.6H879 V883 I901H879-E886 IonicContact CE1-OE1 3.66Å; H879-E886 PolarHBondContact CE1-OE1 2.85Å; H879-E886 IonicContact CE1-OE2 3.69Å; H879-E886 PolarHBondContact CE1-OE2 3.13Å; H879-E886 WeakPolarHBondContact NE2-CG 3.32Å; H879-E886 IonicContact NE2-OE1 2.71Å; H879-E886 PolarHBondContact NE2-OE1 3.28Å; H879-E886 IonicContact NE2-OE2 3.37Å; H879-E886 PolarHBondContact NE2-OE2 2.89Å; V883-E886 WeakPolarHBondContact O-CB 3.38Å; V883-E886 PolarHBondContact O-N 2.94Å; V883-E886 VanDerWaalsContact O-N 3.13Å; E886-I901 HydrophobicContact CB-CD1 4.1Å; E886-I901 PolarHBondContact O-N 2.77Å
887M93.9Very high90.2Very high50 Ų5055 Ų5525%0.24630%0.3CS..EExtended strand (participates in β ladder)trans-89.5132.3172.4-82.9-174.2-76.900112.5V899 L915 C932 K937M887-V899 CarbonylContact C-O 3.53Å; M887-V899 VanDerWaalsContact CA-O 3.31Å; M887-V899 WeakPolarHBondContact CA-O 3.37Å; M887-L915 HydrophobicContact CG-CD1 3.95Å; M887-L915 HydrophobicContact SD-CD1 3.78Å; M887-C932 HydrophobicContact CB-CB 4.44Å; M887-C932 WeakPolarHBondContact O-CB 3.1Å; M887-K937 HydrophobicContact CB-CG 4.46Å; M887-K937 HydrophobicContact CE-CB 4.07Å; M887-K937 HydrophobicContact CE-CG 4.46Å; M887-K937 VanDerWaalsContact CE-O 3.28Å; M887-K937 WeakPolarHBondContact CE-O 3.34Å
888A95.2Very high90.3Very high0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-135.4-178.4179.600000110.6V899 I901 L929 Y930A888-V899 HydrophobicContact CB-CG2 3.99Å; A888-V899 PolarHBondContact N-O 2.77Å; A888-V899 PolarHBondContact O-N 2.93Å; A888-I901 HydrophobicContact CB-CD1 4.32Å; A888-I901 HydrophobicContact CB-CG1 4.47Å; A888-L929 HydrophobicContact CB-CD1 3.59Å; A888-L929 HydrophobicContact CB-CD2 3.83Å; A888-L929 HydrophobicContact CB-CG 3.63Å; A888-Y930 WeakPolarHBondContact CB-O 3.42Å
889V96.2Very high90.5Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-128.3138.1175.6174.90000109.8Y870 Y896 E897 R898 Y930 C932Y870-V889 HydrophobicContact CD1-CG1 4.38Å; Y870-V889 HydrophobicContact CD2-CG1 3.99Å; Y870-V889 HydrophobicContact CD2-CG2 4.41Å; Y870-V889 HydrophobicContact CE1-CB 4.38Å; Y870-V889 HydrophobicContact CE1-CG1 4.48Å; Y870-V889 HydrophobicContact CE2-CB 4.24Å; Y870-V889 HydrophobicContact CE2-CG1 4.12Å; Y870-V889 HydrophobicContact CE2-CG2 3.73Å; Y870-V889 HydrophobicContact CG-CG1 4.14Å; V889-Y896 HydrophobicContact CG1-CD1 4.26Å; V889-E897 WeakPolarHBondContact CA-O 3.31Å; V889-R898 HydrophobicContact CG2-CG 4.41Å; V889-Y930 PolarHBondContact N-O 2.75Å; V889-Y930 PolarHBondContact O-N 3.44Å; V889-C932 HydrophobicContact CG2-CB 4.27Å
890V94.9Very high90.6Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-119.2155.7172.2-61.20000110.9N892 Y896 E897 V899 V912 L914 Y924 L929V890-N892 HydrophobicContact CG2-CB 4.44Å; V890-Y896 WeakPolarHBondContact O-CA 3.46Å; V890-E897 PolarHBondContact N-O 2.87Å; V890-E897 PolarHBondContact O-N 3.11Å; V890-V899 HydrophobicContact CB-CG1 4.42Å; V890-V899 HydrophobicContact CG1-CG1 4.16Å; V890-V899 HydrophobicContact CG1-CG2 4.06Å; V890-V899 HydrophobicContact CG2-CG1 3.6Å; V890-V912 HydrophobicContact CG1-CG2 4.32Å; V890-L914 HydrophobicContact CG2-CD2 4.43Å; V890-Y924 HydrophobicContact CB-CD1 4.45Å; V890-Y924 HydrophobicContact CB-CE1 4.18Å; V890-Y924 HydrophobicContact CB-CE2 4.34Å; V890-Y924 HydrophobicContact CG1-CD1 4.38Å; V890-Y924 HydrophobicContact CG1-CD2 4.1Å; V890-Y924 HydrophobicContact CG1-CE2 4.23Å; V890-Y924 HydrophobicContact CG1-CG 4.16Å; V890-Y924 HydrophobicContact CG2-CE1 4.33Å; V890-Y924 HydrophobicContact CG2-CE2 3.97Å; V890-L929 HydrophobicContact CG1-CD1 3.52Å
891K92.8Very high91Very high76 Ų7639.8 Ų39.833%0.3322%0.218SC..EExtended strand (participates in β ladder)trans-89.7101.8163.4-167.2174.3-166.2149.20109.6R895 Y896 Y930K891-R895 CarbonylContact C-O 3.45Å; K891-R895 WeakPolarHBondContact CA-O 3.39Å; K891-Y896 HydrophobicContact CB-CD1 4.15Å; K891-Y896 HydrophobicContact CB-CE1 3.82Å; K891-Y896 HydrophobicContact CD-CE1 4.09Å; K891-Y896 HydrophobicContact CD-CE2 4.44Å; K891-Y896 WeakPolarHBondContact CD-OH 3.37Å; K891-Y896 HydrophobicContact CG-CD1 4.44Å; K891-Y896 HydrophobicContact CG-CE1 4.02Å; K891-Y896 PolarHBondContact NZ-OH 3.2Å; K891-Y930 HydrophobicContact CB-CE2 4.45Å
892N86.9Confident91Very high25 Ų2537.3 Ų37.313%0.13421%0.207CC..EExtended strand (participates in β ladder)trans-96.1108.7175.8-172.71.1000110V890 N894 R895 E897 Y924V890-N892 HydrophobicContact CG2-CB 4.44Å; N892-N894 PolarHBondContact O-N 2.83Å; N892-R895 PolarHBondContact N-O 2.52Å; N892-R895 PolarHBondContact O-N 3.23Å; N892-E897 HydrophobicContact CB-CG 4.38Å; N892-E897 WeakPolarHBondContact CB-OE2 3.3Å; N892-E897 PolarHBondContact ND2-OE2 2.92Å; N892-Y924 WeakPolarHBondContact CB-OH 3.49Å
893I81.6Confident90.8Very high138 Ų13838.5 Ų38.571%0.70822%0.216SC*.THydrogen-bonded Turntrans56.7-98-170.3-51.3168.2000109.6
894N84.8Confident90.6Very high92 Ų9238.3 Ų38.349%0.49222%0.215SC..THydrogen-bonded Turntrans-120.913.3-178.1-70-21.8000112.7F854 L855 Q867 N892F854-N894 WeakPolarHBondContact CE1-O 3.16Å; L855-N894 HydrophobicContact CD1-CB 3.66Å; Q867-N894 PolarHBondContact NE2-O 3.44Å; N892-N894 PolarHBondContact O-N 2.83Å
895R89.7Confident90Very high36 Ų3640.4 Ų40.414%0.13622%0.219CC..EExtended strand (participates in β ladder)trans-123145-177.3-66.9176.3-60.313220.8111.6F854 F857 Q867 K891 N892 E897F854-R895 HydrophobicContact CD1-CG 3.78Å; F854-R895 HydrophobicContact CE1-CG 3.77Å; F857-R895 VanDerWaalsContact CE1-NH1 3.3Å; F857-R895 VanDerWaalsContact CG-NH1 3.3Å; Q867-R895 VanDerWaalsContact OE1-CA 3.23Å; K891-R895 CarbonylContact C-O 3.45Å; K891-R895 WeakPolarHBondContact CA-O 3.39Å; N892-R895 PolarHBondContact N-O 2.52Å; N892-R895 PolarHBondContact O-N 3.23Å; R895-E897 HydrophobicContact CB-CG 4.33Å; R895-E897 IonicContact CZ-OE1 3.02Å; R895-E897 IonicContact NE-OE1 2.67Å; R895-E897 IonicContact NH1-OE1 3.7Å; R895-E897 PolarHBondContact NH1-OE1 3Å; R895-E897 VanDerWaalsContact NH1-OE1 3.1Å; R895-E897 IonicContact NH2-OE1 2.68Å; R895-E897 PolarHBondContact NH2-OE1 3.33Å
896Y93.6Very high89.2Confident8 Ų840.9 Ų40.93%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-92.2121.5169.9-67.2-82000109.1Y870 R876 V889 V890 K891 Y930Y870-Y896 VanDerWaalsContact CB-CD1 3.47Å; Y870-Y896 VanDerWaalsContact CB-CG 3.43Å; Y870-Y896 HydrophobicContact CG-CD1 4.29Å; Y870-Y896 HydrophobicContact CG-CG 4.43Å; Y870-Y896 WeakPolarHBondContact O-CE2 3.33Å; R876-Y896 VanDerWaalsContact CZ-OH 3.26Å; R876-Y896 PolarHBondContact NE-OH 2.78Å; R876-Y896 PolarHBondContact NH2-OH 2.7Å; V889-Y896 HydrophobicContact CG1-CD1 4.26Å; V890-Y896 WeakPolarHBondContact O-CA 3.46Å; K891-Y896 HydrophobicContact CB-CD1 4.15Å; K891-Y896 HydrophobicContact CB-CE1 3.82Å; K891-Y896 HydrophobicContact CD-CE1 4.09Å; K891-Y896 HydrophobicContact CD-CE2 4.44Å; K891-Y896 WeakPolarHBondContact CD-OH 3.37Å; K891-Y896 HydrophobicContact CG-CD1 4.44Å; K891-Y896 HydrophobicContact CG-CE1 4.02Å; K891-Y896 PolarHBondContact NZ-OH 3.2Å; Y896-Y930 HydrophobicContact CD1-CD2 4.46Å; Y896-Y930 HydrophobicContact CD1-CE2 4.32Å; Y896-Y930 HydrophobicContact CE1-CD2 4.34Å; Y896-Y930 AromaticContact CE1-CE2 3.83Å; Y896-Y930 HydrophobicContact CE1-CE2 3.83Å
897E93.4Very high87.9Confident5 Ų546.2 Ų46.22%0.02325%0.245CC..EExtended strand (participates in β ladder)trans-125.7136.1-173.1-62.8-175.914300109.9V889 V890 N892 R895 L914 T917V889-E897 WeakPolarHBondContact CA-O 3.31Å; V890-E897 PolarHBondContact N-O 2.87Å; V890-E897 PolarHBondContact O-N 3.11Å; N892-E897 HydrophobicContact CB-CG 4.38Å; N892-E897 WeakPolarHBondContact CB-OE2 3.3Å; N892-E897 PolarHBondContact ND2-OE2 2.92Å; R895-E897 HydrophobicContact CB-CG 4.33Å; R895-E897 IonicContact CZ-OE1 3.02Å; R895-E897 IonicContact NE-OE1 2.67Å; R895-E897 IonicContact NH1-OE1 3.7Å; R895-E897 PolarHBondContact NH1-OE1 3Å; R895-E897 VanDerWaalsContact NH1-OE1 3.1Å; R895-E897 IonicContact NH2-OE1 2.68Å; R895-E897 PolarHBondContact NH2-OE1 3.33Å; E897-L914 HydrophobicContact CB-CD2 4.47Å; E897-L914 WeakPolarHBondContact OE2-CD1 3.39Å; E897-T917 HydrophobicContact CG-CG2 4.29Å; E897-T917 WeakPolarHBondContact OE1-CB 3.31Å; E897-T917 WeakPolarHBondContact OE1-CG2 3.32Å; E897-T917 PolarHBondContact OE1-OG1 3.48Å
898R95.6Very high87.2Confident1 Ų146.6 Ų46.60%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-71.9138.1172-56.6-174.5-56.3151.34.2109.5V866 V889 L915 D916 F936 S939 P940V866-R898 HydrophobicContact CG1-CG 4.4Å; V866-R898 HydrophobicContact CG2-CG 4.09Å; V889-R898 HydrophobicContact CG2-CG 4.41Å; R898-L915 HydrophobicContact CB-CB 4.46Å; R898-L915 HydrophobicContact CB-CD1 4.21Å; R898-L915 PolarHBondContact O-N 3.02Å; R898-L915 VanDerWaalsContact O-N 3.11Å; R898-D916 IonicContact CZ-OD1 3.89Å; R898-D916 IonicContact CZ-OD2 3.57Å; R898-D916 IonicContact NE-OD1 3.96Å; R898-D916 IonicContact NE-OD2 2.72Å; R898-D916 PolarHBondContact NE-OD2 2.92Å; R898-D916 IonicContact NH2-OD1 3.52Å; R898-D916 PolarHBondContact NH2-OD1 3.38Å; R898-D916 IonicContact NH2-OD2 3.75Å; R898-D916 PolarHBondContact NH2-OD2 3.27Å; R898-F936 WeakPolarHBondContact CD-O 3.36Å; R898-F936 PolarHBondContact NH1-O 2.87Å; R898-S939 PolarHBondContact NH1-O 2.9Å; R898-P940 PolarHBondContact NH2-O 2.98Å
899V95.2Very high87Confident0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-134.7154.3-178.3-51.30000111M887 A888 V890 V912 Q913 L914 L929M887-V899 CarbonylContact C-O 3.53Å; M887-V899 VanDerWaalsContact CA-O 3.31Å; M887-V899 WeakPolarHBondContact CA-O 3.37Å; A888-V899 HydrophobicContact CB-CG2 3.99Å; A888-V899 PolarHBondContact N-O 2.77Å; A888-V899 PolarHBondContact O-N 2.93Å; V890-V899 HydrophobicContact CB-CG1 4.42Å; V890-V899 HydrophobicContact CG1-CG1 4.16Å; V890-V899 HydrophobicContact CG1-CG2 4.06Å; V890-V899 HydrophobicContact CG2-CG1 3.6Å; V899-V912 HydrophobicContact CB-CB 3.85Å; V899-V912 HydrophobicContact CB-CG2 3.82Å; V899-V912 HydrophobicContact CG1-CG2 3.93Å; V899-V912 HydrophobicContact CG2-CB 3.73Å; V899-V912 HydrophobicContact CG2-CG1 4.07Å; V899-V912 HydrophobicContact CG2-CG2 3.87Å; V899-Q913 CarbonylContact C-O 3.58Å; V899-Q913 WeakPolarHBondContact CA-O 3.41Å; V899-Q913 WeakPolarHBondContact CB-O 3.19Å; V899-L914 HydrophobicContact CG1-CD2 3.53Å; V899-L929 HydrophobicContact CG2-CD1 3.95Å
900H92.9Very high86.7Confident37 Ų3749.2 Ų49.217%0.17127%0.269CS..EExtended strand (participates in β ladder)trans-109.9126.1170.6177.1-69.2000108.8V902 V912 Q913 L915H900-V902 PolarHBondContact O-N 2.76Å; H900-V912 CarbonylContact O-C 3.53Å; H900-V912 WeakPolarHBondContact O-CA 3.11Å; H900-Q913 PolarHBondContact N-O 2.93Å; H900-Q913 PolarHBondContact O-N 3.06Å; H900-L915 HydrophobicContact CB-CD1 4.31Å; H900-L915 HydrophobicContact CB-CD2 3.97Å; H900-L915 HydrophobicContact CB-CG 4.39Å
901I92.3Very high86.6Confident0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-69.8122.4179.1-59.3155.4000108.3P882 V883 G885 E886 A888 V912 L929P882-I901 HydrophobicContact CB-CD1 3.79Å; V883-I901 WeakPolarHBondContact O-CB 3.12Å; V883-I901 WeakPolarHBondContact O-CD1 3.4Å; G885-I901 PolarHBondContact N-O 2.77Å; E886-I901 HydrophobicContact CB-CD1 4.1Å; E886-I901 PolarHBondContact O-N 2.77Å; A888-I901 HydrophobicContact CB-CD1 4.32Å; A888-I901 HydrophobicContact CB-CG1 4.47Å; I901-V912 HydrophobicContact CG1-CG1 4.29Å; I901-L929 HydrophobicContact CD1-CD2 3.96Å; I901-L929 HydrophobicContact CG1-CD2 4.16Å
902V88.5Confident86.6Confident60 Ų6047.3 Ų47.336%0.36426%0.262SS..EExtended strand (participates in β ladder)trans-93.3-46.7-177.8-179.80000110.3H900 L911 Q913H900-V902 PolarHBondContact O-N 2.76Å; V902-L911 HydrophobicContact CB-CD2 4.28Å; V902-L911 HydrophobicContact CB-CG 4.29Å; V902-L911 WeakPolarHBondContact CB-O 3.27Å; V902-L911 HydrophobicContact CG1-CD2 4.15Å; V902-L911 PolarHBondContact N-O 2.89Å; V902-Q913 HydrophobicContact CG2-CB 3.72Å
903S85.8Confident86.9Confident39 Ų3947.7 Ų47.727%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-157.7154.817849.10000111L911S903-L911 PolarHBondContact N-O 3.03Å; S903-L911 PolarHBondContact O-N 3.19Å; S903-L911 WeakPolarHBondContact OG-CB 3.44Å
904V85.1Confident87.5Confident65 Ų6541.3 Ų41.339%0.39423%0.23SC..EExtended strand (participates in β ladder)trans-102.7109.7169.6-176.70000106.3P882 P884 S906 V910P882-V904 WeakPolarHBondContact O-CG2 3.46Å; P884-V904 HydrophobicContact CG-CG2 4.37Å; V904-S906 WeakPolarHBondContact CG1-O 3.41Å; V904-V910 HydrophobicContact CG1-CG1 4.38Å; V904-V910 HydrophobicContact CG2-CG1 4.27Å
905E74.6Confident87.9Confident110 Ų11037.1 Ų37.151%0.51421%0.208SC..EExtended strand (participates in β ladder)trans-85.4-25.7-171.3-62.3177.3150.600111.5M909 L911 S923E905-M909 PolarHBondContact N-O 2.85Å; E905-L911 HydrophobicContact CG-CB 4.29Å; E905-S923 PolarHBondContact OE2-OG 2.95Å
906S70.6Confident88Confident58 Ų5836.1 Ų36.141%0.40621%0.205SC..EExtended strand (participates in β ladder)trans-161.6171.2171.363.50000109.7V904 A908 M909V904-S906 WeakPolarHBondContact CG1-O 3.41Å; S906-A908 PolarHBondContact O-N 3.31Å; S906-M909 PolarHBondContact N-O 3.2Å; S906-M909 PolarHBondContact O-N 2.81Å; S906-M909 PolarHBondContact OG-N 2.85Å
907N62.3Low87.7Confident170 Ų17036.5 Ų36.591%0.90921%0.208SC*.THydrogen-bonded Turntrans-55.7-14.5176.6-72.212.1000114.7
908A79.6Confident87.6Confident59 Ų5936.4 Ų36.449%0.48821%0.208SC..THydrogen-bonded Turntrans-115.5-13-178.400000114.9S906 K925 T926S906-A908 PolarHBondContact O-N 3.31Å; A908-K925 CarbonylContact O-C 3.55Å; A908-K925 VanDerWaalsContact O-CA 3.24Å; A908-K925 WeakPolarHBondContact O-CA 3.48Å; A908-T926 PolarHBondContact O-N 2.85Å; A908-T926 PolarHBondContact O-OG1 3.08Å
909M90.2Very high87.4Confident55 Ų5537.5 Ų37.527%0.27122%0.215SC..EExtended strand (participates in β ladder)trans-130.1132.7-173.4-64.3-61.3-59.600112.2E905 S906 S923 Y924 K925E905-M909 PolarHBondContact N-O 2.85Å; S906-M909 PolarHBondContact N-O 3.2Å; S906-M909 PolarHBondContact O-N 2.81Å; S906-M909 PolarHBondContact OG-N 2.85Å; M909-S923 VanDerWaalsContact CE-OG 3.24Å; M909-S923 WeakPolarHBondContact CE-OG 3.3Å; M909-Y924 WeakPolarHBondContact CA-O 3.19Å; M909-Y924 VanDerWaalsContact CE-C 3.48Å; M909-Y924 WeakPolarHBondContact CE-O 3.47Å; M909-K925 HydrophobicContact SD-CB 4.33Å; M909-K925 HydrophobicContact SD-CG 3.61Å
910V90.7Very high87.1Confident0 Ų041.4 Ų41.40%023%0.233CC..EExtended strand (participates in β ladder)trans-123.2131.3-179.7-66.80000110.3P882 V904 V912 S923 Y924 L929P882-V910 HydrophobicContact CB-CG1 3.93Å; P882-V910 HydrophobicContact CG-CG1 4.19Å; V904-V910 HydrophobicContact CG1-CG1 4.38Å; V904-V910 HydrophobicContact CG2-CG1 4.27Å; V910-V912 HydrophobicContact CB-CG1 4.31Å; V910-V912 HydrophobicContact CG2-CG1 4Å; V910-S923 WeakPolarHBondContact O-CA 3.4Å; V910-Y924 WeakPolarHBondContact CG2-O 3.4Å; V910-Y924 PolarHBondContact N-O 2.65Å; V910-Y924 PolarHBondContact O-N 2.91Å; V910-L929 HydrophobicContact CG2-CD2 4.33Å
911L92.2Very high86.9Confident36 Ų3642.5 Ų42.519%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-88.8121.3171.1-174.669000108.5V902 S903 E905 C921V902-L911 HydrophobicContact CB-CD2 4.28Å; V902-L911 HydrophobicContact CB-CG 4.29Å; V902-L911 WeakPolarHBondContact CB-O 3.27Å; V902-L911 HydrophobicContact CG1-CD2 4.15Å; V902-L911 PolarHBondContact N-O 2.89Å; S903-L911 PolarHBondContact N-O 3.03Å; S903-L911 PolarHBondContact O-N 3.19Å; S903-L911 WeakPolarHBondContact OG-CB 3.44Å; E905-L911 HydrophobicContact CG-CB 4.29Å; L911-C921 HydrophobicContact CD1-CB 3.91Å; L911-C921 HydrophobicContact CG-CB 4.18Å
912V93.1Very high86.8Confident0 Ų045.8 Ų45.80%026%0.259CS..EExtended strand (participates in β ladder)trans-127.2140.6-177-48.90000111.1V890 V899 H900 I901 V910 C921 F922 Y924 L929V890-V912 HydrophobicContact CG1-CG2 4.32Å; V899-V912 HydrophobicContact CB-CB 3.85Å; V899-V912 HydrophobicContact CB-CG2 3.82Å; V899-V912 HydrophobicContact CG1-CG2 3.93Å; V899-V912 HydrophobicContact CG2-CB 3.73Å; V899-V912 HydrophobicContact CG2-CG1 4.07Å; V899-V912 HydrophobicContact CG2-CG2 3.87Å; H900-V912 CarbonylContact O-C 3.53Å; H900-V912 WeakPolarHBondContact O-CA 3.11Å; I901-V912 HydrophobicContact CG1-CG1 4.29Å; V910-V912 HydrophobicContact CB-CG1 4.31Å; V910-V912 HydrophobicContact CG2-CG1 4Å; V912-C921 CarbonylContact O-C 3.59Å; V912-C921 VanDerWaalsContact O-CA 3.24Å; V912-C921 WeakPolarHBondContact O-CA 3.48Å; V912-F922 PolarHBondContact N-O 3.1Å; V912-F922 PolarHBondContact O-N 3.3Å; V912-Y924 HydrophobicContact CG2-CD2 3.64Å; V912-Y924 HydrophobicContact CG2-CE2 3.95Å; V912-L929 HydrophobicContact CG1-CD1 4.16Å
913Q93.4Very high87Confident33 Ų3345.7 Ų45.715%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-95.1129.6174.6176.2168.860.400109.7V899 H900 V902 T919 E920V899-Q913 CarbonylContact C-O 3.58Å; V899-Q913 WeakPolarHBondContact CA-O 3.41Å; V899-Q913 WeakPolarHBondContact CB-O 3.19Å; H900-Q913 PolarHBondContact N-O 2.93Å; H900-Q913 PolarHBondContact O-N 3.06Å; V902-Q913 HydrophobicContact CG2-CB 3.72Å; Q913-T919 PolarHBondContact NE2-O 3.22Å; Q913-E920 WeakPolarHBondContact CA-O 3.38Å
914L93.6Very high87.3Confident4 Ų445 Ų452%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-67.6147.1172.2-58.1-171.8000110.7V890 E897 V899 S918 E920 F922V890-L914 HydrophobicContact CG2-CD2 4.43Å; E897-L914 HydrophobicContact CB-CD2 4.47Å; E897-L914 WeakPolarHBondContact OE2-CD1 3.39Å; V899-L914 HydrophobicContact CG1-CD2 3.53Å; L914-S918 CarbonylContact C-O 3.53Å; L914-S918 VanDerWaalsContact C-O 3.3Å; L914-E920 PolarHBondContact N-O 2.88Å; L914-F922 HydrophobicContact CD1-CD2 3.96Å; L914-F922 HydrophobicContact CD1-CE2 3.52Å; L914-F922 HydrophobicContact CD1-CZ 4.45Å; L914-F922 HydrophobicContact CD2-CD2 4.34Å; L914-F922 HydrophobicContact CG-CD2 3.84Å; L914-F922 HydrophobicContact CG-CE2 3.82Å
915L93.6Very high87.6Confident4 Ų447.5 Ų47.52%0.02126%0.258CS..SBendtrans-110.7-27.5-175.8-64.3177.8000114.9M887 R898 H900 R941 E942 A943M887-L915 HydrophobicContact CG-CD1 3.95Å; M887-L915 HydrophobicContact SD-CD1 3.78Å; R898-L915 HydrophobicContact CB-CB 4.46Å; R898-L915 HydrophobicContact CB-CD1 4.21Å; R898-L915 PolarHBondContact O-N 3.02Å; R898-L915 VanDerWaalsContact O-N 3.11Å; H900-L915 HydrophobicContact CB-CD1 4.31Å; H900-L915 HydrophobicContact CB-CD2 3.97Å; H900-L915 HydrophobicContact CB-CG 4.39Å; L915-R941 HydrophobicContact CB-CB 4.2Å; L915-R941 HydrophobicContact CD2-CB 4.32Å; L915-R941 WeakPolarHBondContact O-CB 3.39Å; L915-E942 PolarHBondContact O-N 2.81Å; L915-A943 WeakPolarHBondContact O-CB 3.49Å; L915-A943 PolarHBondContact O-N 2.75Å
916D92Very high88.2Confident14 Ų1443.7 Ų43.78%0.07524%0.242CC..SBendtrans-120.1-21-166.5-59.2-40.4000114.6R898 E942R898-D916 IonicContact CZ-OD1 3.89Å; R898-D916 IonicContact CZ-OD2 3.57Å; R898-D916 IonicContact NE-OD1 3.96Å; R898-D916 IonicContact NE-OD2 2.72Å; R898-D916 PolarHBondContact NE-OD2 2.92Å; R898-D916 IonicContact NH2-OD1 3.52Å; R898-D916 PolarHBondContact NH2-OD1 3.38Å; R898-D916 IonicContact NH2-OD2 3.75Å; R898-D916 PolarHBondContact NH2-OD2 3.27Å; D916-E942 HydrophobicContact CB-CB 4.32Å; D916-E942 PolarHBondContact OD1-N 2.79Å
917T87.9Confident89.1Confident16 Ų1644.1 Ų44.110%0.09825%0.245CC..SBendtrans-124.9-16.1-169.7610000113.7L832 F857 E897L832-T917 WeakPolarHBondContact CB-O 3.18Å; F857-T917 HydrophobicContact CE1-CG2 3.66Å; F857-T917 HydrophobicContact CZ-CG2 3.77Å; E897-T917 HydrophobicContact CG-CG2 4.29Å; E897-T917 WeakPolarHBondContact OE1-CB 3.31Å; E897-T917 WeakPolarHBondContact OE1-CG2 3.32Å; E897-T917 PolarHBondContact OE1-OG1 3.48Å
918S90.6Very high90.5Very high4 Ų440.2 Ų40.23%0.02822%0.222CC..  trans-160.7171.9175.2-172.70000107.4Y835 L914 E920 A943Y835-S918 PolarHBondContact OH-OG 3.1Å; L914-S918 CarbonylContact C-O 3.53Å; L914-S918 VanDerWaalsContact C-O 3.3Å; S918-E920 PolarHBondContact OG-N 3.5Å; S918-E920 PolarHBondContact OG-OE2 3.32Å; S918-E920 VanDerWaalsContact OG-OE2 3.09Å; S918-A943 WeakPolarHBondContact O-CB 3.43Å
919T90.4Very high91.2Very high23 Ų2337.4 Ų37.414%0.14120%0.198CC..  trans-114.64.616958.60000112.3Y835 A841 Q913 A943Y835-T919 WeakPolarHBondContact CE2-OG1 3.39Å; Y835-T919 WeakPolarHBondContact OH-CA 3.43Å; Y835-T919 PolarHBondContact OH-N 3.45Å; Y835-T919 PolarHBondContact OH-OG1 3.45Å; A841-T919 HydrophobicContact CB-CG2 4.44Å; Q913-T919 PolarHBondContact NE2-O 3.22Å; T919-A943 HydrophobicContact CG2-CB 4.02Å
920E89.4Confident91.4Very high82 Ų8236.6 Ų36.638%0.38319%0.193SC..  trans-67.3154.9175.2-80164.3147.500113.3Y835 Q913 L914 S918 F922Y835-E920 HydrophobicContact CD1-CG 4.19Å; Y835-E920 HydrophobicContact CE1-CG 3.48Å; Y835-E920 VanDerWaalsContact CE1-CG 3.48Å; Y835-E920 PolarHBondContact OH-N 3.42Å; Q913-E920 WeakPolarHBondContact CA-O 3.38Å; L914-E920 PolarHBondContact N-O 2.88Å; S918-E920 PolarHBondContact OG-N 3.5Å; S918-E920 PolarHBondContact OG-OE2 3.32Å; S918-E920 VanDerWaalsContact OG-OE2 3.09Å; E920-F922 HydrophobicContact CB-CD2 4.34Å; E920-F922 HydrophobicContact CB-CE2 3.51Å; E920-F922 HydrophobicContact CB-CZ 3.81Å
921C89.8Confident91.6Very high60 Ų6038.2 Ų38.241%0.40520%0.204SC..EExtended strand (participates in β ladder)trans-101140171.5-570000110.8L911 V912L911-C921 HydrophobicContact CD1-CB 3.91Å; L911-C921 HydrophobicContact CG-CB 4.18Å; V912-C921 CarbonylContact O-C 3.59Å; V912-C921 VanDerWaalsContact O-CA 3.24Å; V912-C921 WeakPolarHBondContact O-CA 3.48Å
922F90.1Very high91.7Very high70 Ų7036.8 Ų36.831%0.30720%0.197SC..EExtended strand (participates in β ladder)trans-133.1143.2179.1-63.2-89000109.8V912 L914 E920 Y924V912-F922 PolarHBondContact N-O 3.1Å; V912-F922 PolarHBondContact O-N 3.3Å; L914-F922 HydrophobicContact CD1-CD2 3.96Å; L914-F922 HydrophobicContact CD1-CE2 3.52Å; L914-F922 HydrophobicContact CD1-CZ 4.45Å; L914-F922 HydrophobicContact CD2-CD2 4.34Å; L914-F922 HydrophobicContact CG-CD2 3.84Å; L914-F922 HydrophobicContact CG-CE2 3.82Å; E920-F922 HydrophobicContact CB-CD2 4.34Å; E920-F922 HydrophobicContact CB-CE2 3.51Å; E920-F922 HydrophobicContact CB-CZ 3.81Å; F922-Y924 HydrophobicContact CB-CD2 4.04Å; F922-Y924 HydrophobicContact CB-CE2 3.57Å; F922-Y924 HydrophobicContact CG-CE2 4.44Å
923S91.6Very high91.6Very high57 Ų5738.9 Ų38.940%0.39921%0.209SC..EExtended strand (participates in β ladder)trans-91.8123.8174.9-164.80000109.4E905 M909 V910E905-S923 PolarHBondContact OE2-OG 2.95Å; M909-S923 VanDerWaalsContact CE-OG 3.24Å; M909-S923 WeakPolarHBondContact CE-OG 3.3Å; V910-S923 WeakPolarHBondContact O-CA 3.4Å
924Y91.6Very high91.4Very high25 Ų2542.7 Ų42.710%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-122.7157.5179.6-78-90.2000110.4V890 N892 M909 V910 V912 F922 Q928V890-Y924 HydrophobicContact CB-CD1 4.45Å; V890-Y924 HydrophobicContact CB-CE1 4.18Å; V890-Y924 HydrophobicContact CB-CE2 4.34Å; V890-Y924 HydrophobicContact CG1-CD1 4.38Å; V890-Y924 HydrophobicContact CG1-CD2 4.1Å; V890-Y924 HydrophobicContact CG1-CE2 4.23Å; V890-Y924 HydrophobicContact CG1-CG 4.16Å; V890-Y924 HydrophobicContact CG2-CE1 4.33Å; V890-Y924 HydrophobicContact CG2-CE2 3.97Å; N892-Y924 WeakPolarHBondContact CB-OH 3.49Å; M909-Y924 WeakPolarHBondContact CA-O 3.19Å; M909-Y924 VanDerWaalsContact CE-C 3.48Å; M909-Y924 WeakPolarHBondContact CE-O 3.47Å; V910-Y924 WeakPolarHBondContact CG2-O 3.4Å; V910-Y924 PolarHBondContact N-O 2.65Å; V910-Y924 PolarHBondContact O-N 2.91Å; V912-Y924 HydrophobicContact CG2-CD2 3.64Å; V912-Y924 HydrophobicContact CG2-CE2 3.95Å; F922-Y924 HydrophobicContact CB-CD2 4.04Å; F922-Y924 HydrophobicContact CB-CE2 3.57Å; F922-Y924 HydrophobicContact CG-CE2 4.44Å; Y924-Q928 HydrophobicContact CD1-CB 4.31Å
925K91.5Very high91.1Very high117 Ų11747.4 Ų47.451%0.50925%0.251SS..EExtended strand (participates in β ladder)trans-70.7144.8168.6-66178.4178.3-177.70110A908 M909 S927 Q928A908-K925 CarbonylContact O-C 3.55Å; A908-K925 VanDerWaalsContact O-CA 3.24Å; A908-K925 WeakPolarHBondContact O-CA 3.48Å; M909-K925 HydrophobicContact SD-CB 4.33Å; M909-K925 HydrophobicContact SD-CG 3.61Å; K925-S927 PolarHBondContact O-N 3.49Å; K925-S927 VanDerWaalsContact O-N 3.11Å; K925-Q928 HydrophobicContact CB-CG 4.1Å; K925-Q928 WeakPolarHBondContact O-CB 3.49Å; K925-Q928 PolarHBondContact O-N 3.34Å
926T88.9Confident91.1Very high31 Ų3147.4 Ų47.419%0.1925%0.251CS..G310 helixtrans-51.7-36172.7-49.20000111.8P882 A908 Q928 L929P882-T926 HydrophobicContact CG-CG2 3.68Å; A908-T926 PolarHBondContact O-N 2.85Å; A908-T926 PolarHBondContact O-OG1 3.08Å; T926-Q928 PolarHBondContact O-N 3.11Å; T926-L929 WeakPolarHBondContact O-CB 3.4Å; T926-L929 PolarHBondContact O-N 2.85Å
927S89.2Confident90.9Very high66 Ų6649.1 Ų49.146%0.46226%0.258SS..G310 helixtrans-71.7-8.3177.157.90000115.8K925K925-S927 PolarHBondContact O-N 3.49Å; K925-S927 VanDerWaalsContact O-N 3.11Å
928Q91.3Very high90.8Very high89 Ų8954.9 Ų54.942%0.41629%0.288SS..G310 helixtrans-99.40.3175-63.3171.2-45.900112.2Y924 K925 T926Y924-Q928 HydrophobicContact CD1-CB 4.31Å; K925-Q928 HydrophobicContact CB-CG 4.1Å; K925-Q928 WeakPolarHBondContact O-CB 3.49Å; K925-Q928 PolarHBondContact O-N 3.34Å; T926-Q928 PolarHBondContact O-N 3.11Å
929L93.9Very high90.8Very high0 Ų056 Ų560%030%0.296CS..EExtended strand (participates in β ladder)trans-97.9127.7-179.5-159.571.4000110M878 H879 P882 A888 V890 V899 I901 V910 V912 T926M878-L929 WeakPolarHBondContact CA-O 3.43Å; H879-L929 HydrophobicContact CB-CB 4.15Å; H879-L929 HydrophobicContact CB-CD2 3.91Å; H879-L929 HydrophobicContact CB-CG 4.03Å; H879-L929 PolarHBondContact N-O 2.68Å; P882-L929 HydrophobicContact CB-CD2 3.72Å; P882-L929 HydrophobicContact CG-CD2 3.67Å; A888-L929 HydrophobicContact CB-CD1 3.59Å; A888-L929 HydrophobicContact CB-CD2 3.83Å; A888-L929 HydrophobicContact CB-CG 3.63Å; V890-L929 HydrophobicContact CG1-CD1 3.52Å; V899-L929 HydrophobicContact CG2-CD1 3.95Å; I901-L929 HydrophobicContact CD1-CD2 3.96Å; I901-L929 HydrophobicContact CG1-CD2 4.16Å; V910-L929 HydrophobicContact CG2-CD2 4.33Å; V912-L929 HydrophobicContact CG1-CD1 4.16Å; T926-L929 WeakPolarHBondContact O-CB 3.4Å; T926-L929 PolarHBondContact O-N 2.85Å
930Y95.1Very high90.8Very high38 Ų3857.7 Ų57.715%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-107.3147176.3-53.6-66000110.9R876 H877 A888 V889 K891 Y896 C932R876-Y930 HydrophobicContact CB-CD1 3.99Å; R876-Y930 HydrophobicContact CB-CE1 3.77Å; H877-Y930 CarbonylContact O-C 3.51Å; H877-Y930 VanDerWaalsContact O-CA 3.22Å; H877-Y930 WeakPolarHBondContact O-CA 3.46Å; A888-Y930 WeakPolarHBondContact CB-O 3.42Å; V889-Y930 PolarHBondContact N-O 2.75Å; V889-Y930 PolarHBondContact O-N 3.44Å; K891-Y930 HydrophobicContact CB-CE2 4.45Å; Y896-Y930 HydrophobicContact CD1-CD2 4.46Å; Y896-Y930 HydrophobicContact CD1-CE2 4.32Å; Y896-Y930 HydrophobicContact CE1-CD2 4.34Å; Y896-Y930 AromaticContact CE1-CE2 3.83Å; Y896-Y930 HydrophobicContact CE1-CE2 3.83Å; Y930-C932 PolarHBondContact O-N 2.99Å
931S94Very high91Very high34 Ų3455.7 Ų55.724%0.23830%0.296CS..EExtended strand (participates in β ladder)trans-61.9125.8172.6-60.40000110.5Y870 H877Y870-S931 PolarHBondContact OH-O 3.1Å; H877-S931 PolarHBondContact O-N 3.1Å
932C94.1Very high91.2Very high6 Ų653.1 Ų53.14%0.04128%0.278CS..PPolyproline II helixtrans-71.9128.6170.9-165.70000109Y870 M887 V889 Y930 K937Y870-C932 WeakPolarHBondContact OH-CA 3.24Å; M887-C932 HydrophobicContact CB-CB 4.44Å; M887-C932 WeakPolarHBondContact O-CB 3.1Å; V889-C932 HydrophobicContact CG2-CB 4.27Å; Y930-C932 PolarHBondContact O-N 2.99Å; C932-K937 HydrophobicContact CB-CG 4.09Å; C932-K937 WeakPolarHBondContact O-CE 3.28Å
933V92.4Very high91.4Very high43 Ų4349.9 Ų49.926%0.26126%0.264SS..PPolyproline II helixtrans-78.3145.4174-69.10000110.9Y870 I935 F936 K937Y870-V933 PolarHBondContact OH-N 2.66Å; Y870-V933 VanDerWaalsContact OH-N 3.16Å; V933-I935 HydrophobicContact CB-CG1 4.28Å; V933-I935 HydrophobicContact CG2-CD1 4.07Å; V933-I935 HydrophobicContact CG2-CG1 3.57Å; V933-I935 PolarHBondContact O-N 2.91Å; V933-I935 VanDerWaalsContact O-N 3.1Å; V933-F936 HydrophobicContact CG2-CD2 3.29Å; V933-F936 HydrophobicContact CG2-CE2 3.54Å; V933-F936 HydrophobicContact CG2-CG 4.12Å; V933-F936 PolarHBondContact O-N 3.24Å; V933-K937 PolarHBondContact O-N 2.99Å
934E88.1Confident91.6Very high114 Ų11447.1 Ų47.153%0.53325%0.245SC..Hα-helixtrans-51.8-39.6-171.8-60.5-53130.800113.6F936 K937 D938E934-F936 PolarHBondContact O-N 3.48Å; E934-K937 PolarHBondContact O-N 2.67Å; E934-K937 WeakPolarHBondContact OE1-CE 3.32Å; E934-K937 IonicContact OE1-NZ 2.65Å; E934-K937 PolarHBondContact OE1-NZ 2.92Å; E934-K937 WeakPolarHBondContact OE2-CD 3.45Å; E934-K937 IonicContact OE2-NZ 3.52Å; E934-D938 PolarHBondContact O-N 3.15Å
935I88.4Confident91.7Very high103 Ų10346.6 Ų46.653%0.52824%0.244SC..Hα-helixtrans-55.3-17176.361.8166.8000114.9V933V933-I935 HydrophobicContact CB-CG1 4.28Å; V933-I935 HydrophobicContact CG2-CD1 4.07Å; V933-I935 HydrophobicContact CG2-CG1 3.57Å; V933-I935 PolarHBondContact O-N 2.91Å; V933-I935 VanDerWaalsContact O-N 3.1Å
936F92.2Very high92Very high4 Ų441 Ų412%0.01822%0.22CC..Hα-helixtrans-111.6-10.7176.1-57.4-37.6000113.4L862 R865 V866 H869 Y870 R898 V933 E934L862-F936 HydrophobicContact CD1-CD1 3.9Å; R865-F936 HydrophobicContact CB-CE1 3.9Å; R865-F936 HydrophobicContact CB-CZ 4.3Å; V866-F936 HydrophobicContact CG2-CB 4.38Å; V866-F936 HydrophobicContact CG2-CD1 3.84Å; V866-F936 HydrophobicContact CG2-CD2 3.92Å; V866-F936 HydrophobicContact CG2-CE1 4.04Å; V866-F936 HydrophobicContact CG2-CE2 4.12Å; V866-F936 HydrophobicContact CG2-CG 3.79Å; V866-F936 HydrophobicContact CG2-CZ 4.18Å; H869-F936 HydrophobicContact CB-CE2 3.75Å; H869-F936 HydrophobicContact CB-CZ 3.79Å; H869-F936 AromaticContact CD2-CE2 3.89Å; H869-F936 AromaticContact CG-CE2 3.76Å; Y870-F936 HydrophobicContact CD2-CE2 4.45Å; Y870-F936 AromaticContact CE2-CD2 3.9Å; Y870-F936 HydrophobicContact CE2-CD2 3.9Å; Y870-F936 AromaticContact CE2-CE2 3.85Å; Y870-F936 HydrophobicContact CE2-CE2 3.85Å; R898-F936 WeakPolarHBondContact CD-O 3.36Å; R898-F936 PolarHBondContact NH1-O 2.87Å; V933-F936 HydrophobicContact CG2-CD2 3.29Å; V933-F936 HydrophobicContact CG2-CE2 3.54Å; V933-F936 HydrophobicContact CG2-CG 4.12Å; V933-F936 PolarHBondContact O-N 3.24Å; E934-F936 PolarHBondContact O-N 3.48Å
937K88.7Confident92.3Very high50 Ų5040.7 Ų40.722%0.21722%0.215CC..Hα-helixtrans-76.7-38.1172.7-67.9-172.5-172.6164.80111.6M887 C932 V933 E934 S939M887-K937 HydrophobicContact CB-CG 4.46Å; M887-K937 HydrophobicContact CE-CB 4.07Å; M887-K937 HydrophobicContact CE-CG 4.46Å; M887-K937 VanDerWaalsContact CE-O 3.28Å; M887-K937 WeakPolarHBondContact CE-O 3.34Å; C932-K937 HydrophobicContact CB-CG 4.09Å; C932-K937 WeakPolarHBondContact O-CE 3.28Å; V933-K937 PolarHBondContact O-N 2.99Å; E934-K937 PolarHBondContact O-N 2.67Å; E934-K937 WeakPolarHBondContact OE1-CE 3.32Å; E934-K937 IonicContact OE1-NZ 2.65Å; E934-K937 PolarHBondContact OE1-NZ 2.92Å; E934-K937 WeakPolarHBondContact OE2-CD 3.45Å; E934-K937 IonicContact OE2-NZ 3.52Å; K937-S939 PolarHBondContact O-N 3.08Å
938D86.3Confident92.7Very high137 Ų13737.8 Ų37.873%0.73319%0.194SC*.SBendtrans-67.3-16.3-178.8-63.9-26.8000114.2E934E934-D938 PolarHBondContact O-N 3.15Å
939S89.4Confident92.8Very high28 Ų2834.8 Ų34.820%0.19618%0.181CC..SBendtrans-83.4135.4-177.7-61.80000111.7L862 R898 K937L862-S939 VanDerWaalsContact CD2-CB 3.5Å; R898-S939 PolarHBondContact NH1-O 2.9Å; K937-S939 PolarHBondContact O-N 3.08Å
940P91.8Very high92.8Very high57 Ų5734.8 Ų34.837%0.3718%0.181SC..PPolyproline II helixtrans-62.916517728.6-36.1000112F848 R898F848-P940 HydrophobicContact CE1-CG 4Å; F848-P940 HydrophobicContact CZ-CG 4.05Å; R898-P940 PolarHBondContact NH2-O 2.98Å
941R92.4Very high92.8Very high40 Ų4033 Ų3315%0.15117%0.174CC..PPolyproline II helixtrans-72140.7173.766.2-177.968.8-144.7-2.4110.4H820 Y821 L915H820-R941 PolarHBondContact NE2-O 2.99Å; Y821-R941 HydrophobicContact CE2-CG 4.44Å; L915-R941 HydrophobicContact CB-CB 4.2Å; L915-R941 HydrophobicContact CD2-CB 4.32Å; L915-R941 WeakPolarHBondContact O-CB 3.39Å
942E93.9Very high92.6Very high7 Ų731.3 Ų31.33%0.03316%0.162CC..  trans-95.2-25.1178.6-61.3-169-173.200114.2R843 F848 S860 L862 L915 D916R843-E942 WeakPolarHBondContact CD-OE2 3.44Å; R843-E942 HydrophobicContact CG-CB 4.19Å; R843-E942 IonicContact CZ-OE2 3.7Å; R843-E942 IonicContact NE-OE2 2.92Å; R843-E942 IonicContact NH1-OE2 2.68Å; R843-E942 PolarHBondContact NH1-OE2 3.36Å; F848-E942 HydrophobicContact CB-CG 4.24Å; F848-E942 HydrophobicContact CD1-CG 3.8Å; F848-E942 HydrophobicContact CD2-CB 4.45Å; F848-E942 HydrophobicContact CD2-CG 4.43Å; F848-E942 HydrophobicContact CE1-CG 4.27Å; F848-E942 HydrophobicContact CG-CB 4.29Å; F848-E942 HydrophobicContact CG-CG 3.89Å; S860-E942 WeakPolarHBondContact CB-OE1 3.44Å; S860-E942 WeakPolarHBondContact CB-OE2 3.49Å; S860-E942 PolarHBondContact OG-OE1 2.67Å; S860-E942 PolarHBondContact OG-OE2 3.29Å; L862-E942 WeakPolarHBondContact CB-OE1 3.43Å; L915-E942 PolarHBondContact O-N 2.81Å; D916-E942 HydrophobicContact CB-CB 4.32Å; D916-E942 PolarHBondContact OD1-N 2.79Å
943A94.3Very high92.3Very high1 Ų131.3 Ų31.31%0.00816%0.162CC..  trans-89124.5178.300000111.1L832 L915 S918 T919L832-A943 HydrophobicContact CD1-CB 3.84Å; L915-A943 WeakPolarHBondContact O-CB 3.49Å; L915-A943 PolarHBondContact O-N 2.75Å; S918-A943 WeakPolarHBondContact O-CB 3.43Å; T919-A943 HydrophobicContact CG2-CB 4.02Å
944M95.3Very high91.7Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-119141.7179.5-58.5-179.6176.700109.8Y821 A841 V842 L844 F848 I996Y821-M944 HydrophobicContact CD1-SD 4.37Å; Y821-M944 HydrophobicContact CD2-CE 3.81Å; Y821-M944 HydrophobicContact CD2-SD 4.22Å; Y821-M944 HydrophobicContact CE1-CB 4.08Å; Y821-M944 HydrophobicContact CE1-CG 4.04Å; Y821-M944 HydrophobicContact CE1-SD 4.34Å; Y821-M944 HydrophobicContact CE2-CE 3.92Å; Y821-M944 HydrophobicContact CE2-CG 3.9Å; Y821-M944 HydrophobicContact CE2-SD 4.21Å; Y821-M944 HydrophobicContact CG-CE 4.36Å; Y821-M944 HydrophobicContact CG-SD 4.31Å; A841-M944 WeakPolarHBondContact CA-O 3.44Å; V842-M944 HydrophobicContact CG2-CB 4.33Å; V842-M944 PolarHBondContact N-O 3.04Å; V842-M944 PolarHBondContact O-N 3.25Å; L844-M944 HydrophobicContact CD1-CE 3.82Å; L844-M944 HydrophobicContact CD1-SD 3.57Å; L844-M944 VanDerWaalsContact CD1-SD 3.57Å; L844-M944 HydrophobicContact CD2-SD 4.39Å; L844-M944 HydrophobicContact CG-CE 4.26Å; L844-M944 HydrophobicContact CG-SD 3.71Å; F848-M944 HydrophobicContact CE2-CE 4Å; M944-I996 HydrophobicContact CB-CD1 4.08Å; M944-I996 HydrophobicContact CG-CD1 4.47Å; M944-I996 HydrophobicContact SD-CD1 3.66Å
945D95.2Very high91.5Very high14 Ų1428.8 Ų28.88%0.07515%0.152CC..EExtended strand (participates in β ladder)trans-80.8123.4171-177.819000109.3S839 L840 R947 T995 I996S839-D945 PolarHBondContact OG-OD1 2.9Å; S839-D945 VanDerWaalsContact OG-OD1 3.05Å; L840-D945 WeakPolarHBondContact O-CA 3.34Å; D945-R947 IonicContact OD1-NE 3.25Å; D945-R947 IonicContact OD1-NH2 2.83Å; D945-R947 IonicContact OD2-CZ 2.66Å; D945-R947 IonicContact OD2-NE 3.88Å; D945-R947 PolarHBondContact OD2-NE 2.86Å; D945-R947 IonicContact OD2-NH2 3.77Å; D945-R947 PolarHBondContact OD2-NH2 2.87Å; D945-T995 WeakPolarHBondContact O-CA 3.32Å; D945-I996 PolarHBondContact O-N 3.09Å
946L96.7Very high91.4Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-117.2124.8179.5-176.172.5000109.2I827 F829 S839 L840 V842 I996 V998 I1001I827-L946 HydrophobicContact CD1-CD1 4.05Å; F829-L946 HydrophobicContact CD1-CD2 4.32Å; F829-L946 HydrophobicContact CD2-CD2 4.27Å; F829-L946 HydrophobicContact CE1-CD2 3.72Å; F829-L946 HydrophobicContact CE2-CD2 3.64Å; F829-L946 HydrophobicContact CZ-CD2 3.32Å; S839-L946 WeakPolarHBondContact CA-O 3.33Å; L840-L946 PolarHBondContact N-O 3.24Å; L840-L946 PolarHBondContact O-N 3.44Å; V842-L946 HydrophobicContact CB-CB 4.47Å; V842-L946 HydrophobicContact CG1-CB 3.86Å; V842-L946 HydrophobicContact CG1-CD2 3.82Å; V842-L946 HydrophobicContact CG1-CG 4.5Å; V842-L946 HydrophobicContact CG2-CB 3.74Å; V842-L946 HydrophobicContact CG2-CD2 4.2Å; V842-L946 HydrophobicContact CG2-CG 4.48Å; L946-I996 WeakPolarHBondContact CA-O 3.41Å; L946-I996 HydrophobicContact CD1-CB 3.77Å; L946-I996 HydrophobicContact CD1-CG2 3.61Å; L946-V998 HydrophobicContact CD1-CG1 3.68Å; L946-V998 HydrophobicContact CD1-CG2 4.1Å; L946-V998 HydrophobicContact CG-CG2 4.27Å; L946-I1001 HydrophobicContact CD2-CD1 3.66Å; L946-I1001 HydrophobicContact CD2-CG1 4.25Å; L946-I1001 HydrophobicContact CG-CD1 4.36Å
947R96.1Very high91Very high23 Ų2327.5 Ų27.59%0.08715%0.146CC..EExtended strand (participates in β ladder)trans-124.5140.7-176.8-59.7-168.8-174.3-131.7-5.6113.1H791 A795 A838 D945 L949 T995 I996 F997 V998H791-R947 PolarHBondContact CE1-NH2 3.03Å; H791-R947 VanDerWaalsContact CE1-NH2 3.31Å; H791-R947 PolarHBondContact NE2-NH1 2.84Å; H791-R947 PolarHBondContact NE2-NH2 2.9Å; A795-R947 VanDerWaalsContact CB-NH1 3.29Å; A838-R947 VanDerWaalsContact O-CA 3.25Å; A838-R947 WeakPolarHBondContact O-CA 3.47Å; D945-R947 IonicContact OD1-NE 3.25Å; D945-R947 IonicContact OD1-NH2 2.83Å; D945-R947 IonicContact OD2-CZ 2.66Å; D945-R947 IonicContact OD2-NE 3.88Å; D945-R947 PolarHBondContact OD2-NE 2.86Å; D945-R947 IonicContact OD2-NH2 3.77Å; D945-R947 PolarHBondContact OD2-NH2 2.87Å; R947-L949 PolarHBondContact O-N 2.75Å; R947-T995 HydrophobicContact CB-CG2 4.32Å; R947-T995 HydrophobicContact CG-CG2 3.75Å; R947-I996 PolarHBondContact N-O 3.27Å; R947-F997 HydrophobicContact CB-CD1 4.1Å; R947-F997 HydrophobicContact CB-CE1 4.17Å; R947-V998 WeakPolarHBondContact O-CG2 3.18Å; R947-V998 PolarHBondContact O-N 2.87Å
948I96.3Very high90.9Very high6 Ų625.8 Ų25.83%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-80.1115.7168.1-58.8-179.9000108A838 G950 L951 V998 I1001 L1009 L1010A838-I948 PolarHBondContact O-N 3.01Å; I948-G950 PolarHBondContact O-N 2.9Å; I948-L951 HydrophobicContact CB-CB 4.08Å; I948-L951 HydrophobicContact CB-CD2 4Å; I948-L951 HydrophobicContact CD1-CD2 3.94Å; I948-L951 HydrophobicContact CG2-CB 3.77Å; I948-L951 HydrophobicContact CG2-CD2 3.87Å; I948-L951 HydrophobicContact CG2-CG 4.47Å; I948-L951 PolarHBondContact O-N 3.26Å; I948-V998 WeakPolarHBondContact CA-O 3.48Å; I948-I1001 HydrophobicContact CD1-CD1 4.49Å; I948-I1001 HydrophobicContact CG1-CD1 4.27Å; I948-I1001 HydrophobicContact CG1-CG1 4.45Å; I948-L1009 HydrophobicContact CD1-CD2 4.01Å; I948-L1009 HydrophobicContact CD1-CG 4.12Å; I948-L1010 HydrophobicContact CG2-CD1 4.22Å
949L95.1Very high90.9Very high25 Ų2525.2 Ų25.213%0.13113%0.134CC..THydrogen-bonded Turntrans-57.8128.5-175.7-178.871.1000111.7R947 L951 F997 V998 C1025 Q1026 L1029R947-L949 PolarHBondContact O-N 2.75Å; L949-L951 PolarHBondContact O-N 3.4Å; L949-L951 VanDerWaalsContact O-N 3.1Å; L949-F997 HydrophobicContact CD1-CB 4.42Å; L949-F997 HydrophobicContact CD1-CD1 4.06Å; L949-F997 HydrophobicContact CD1-CG 4.46Å; L949-V998 PolarHBondContact N-O 3.01Å; L949-C1025 HydrophobicContact CD1-CB 4.12Å; L949-C1025 HydrophobicContact CG-CB 4.37Å; L949-Q1026 HydrophobicContact CD1-CB 4.42Å; L949-Q1026 HydrophobicContact CD2-CB 4.07Å; L949-L1029 HydrophobicContact CD1-CD1 3.81Å
950G92.6Very high90.7Very high0 Ų025.2 Ų25.20%013%0.13CC..THydrogen-bonded Turntrans72.1-8.6175.800000116.5I948 Q952 D1022 C1025I948-G950 PolarHBondContact O-N 2.9Å; G950-Q952 PolarHBondContact O-N 2.92Å; G950-D1022 PolarHBondContact O-N 2.82Å; G950-C1025 VanDerWaalsContact CA-CB 3.49Å; G950-C1025 PolarHBondContact N-SG 3.47Å
951L94.7Very high89.9Confident0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-77.9108.6-175.7-178.962.1000111.5A838 I948 L949 W960 L1010 V1013A838-L951 HydrophobicContact CB-CB 4.05Å; A838-L951 HydrophobicContact CB-CD2 3.92Å; A838-L951 HydrophobicContact CB-CG 3.95Å; A838-L951 VanDerWaalsContact CB-O 3.3Å; A838-L951 WeakPolarHBondContact CB-O 3.44Å; I948-L951 HydrophobicContact CB-CB 4.08Å; I948-L951 HydrophobicContact CB-CD2 4Å; I948-L951 HydrophobicContact CD1-CD2 3.94Å; I948-L951 HydrophobicContact CG2-CB 3.77Å; I948-L951 HydrophobicContact CG2-CD2 3.87Å; I948-L951 HydrophobicContact CG2-CG 4.47Å; I948-L951 PolarHBondContact O-N 3.26Å; L949-L951 PolarHBondContact O-N 3.4Å; L949-L951 VanDerWaalsContact O-N 3.1Å; L951-W960 HydrophobicContact CD1-CH2 4.48Å; L951-W960 HydrophobicContact CD1-CZ2 4.46Å; L951-W960 HydrophobicContact CG-CZ2 4.09Å; L951-L1010 HydrophobicContact CD1-CD1 3.88Å; L951-L1010 HydrophobicContact CD2-CD1 3.87Å; L951-L1010 HydrophobicContact CG-CD1 4.3Å; L951-V1013 HydrophobicContact CD1-CG1 4.42Å; L951-V1013 HydrophobicContact CD2-CG1 4.21Å
952Q91.1Very high89.2Confident0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-131.7155-177.671.5-163.1-8000111.4F796 G950 S1019 H1020 D1022F796-Q952 HydrophobicContact CE1-CB 3.86Å; F796-Q952 HydrophobicContact CZ-CB 4.14Å; G950-Q952 PolarHBondContact O-N 2.92Å; Q952-S1019 CarbonylContact O-C 3.48Å; Q952-S1019 WeakPolarHBondContact O-CA 3.25Å; Q952-H1020 HydrophobicContact CG-CB 4.42Å; Q952-H1020 PolarHBondContact N-O 3.02Å; Q952-H1020 PolarHBondContact O-N 2.93Å; Q952-D1022 VanDerWaalsContact NE2-CB 3.29Å
953P88Confident88.1Confident6 Ų629.9 Ų29.94%0.03916%0.158CC..EExtended strand (participates in β ladder)trans-74.2162.7174.332.2-31.6000110.5S955 R958 W960P953-S955 PolarHBondContact O-N 3.47Å; P953-R958 VanDerWaalsContact CG-C 3.46Å; P953-W960 HydrophobicContact CB-CD2 3.93Å; P953-W960 HydrophobicContact CB-CE3 3.99Å; P953-W960 HydrophobicContact CB-CG 4.43Å; P953-W960 HydrophobicContact CB-CZ2 4.46Å; P953-W960 HydrophobicContact CB-CZ3 4.32Å; P953-W960 HydrophobicContact CG-CD2 4.14Å; P953-W960 HydrophobicContact CG-CG 4.21Å
954E79.9Confident87.5Confident68 Ų6829.9 Ų29.932%0.31816%0.158SC..SBendtrans-73.154.8174.6-71.6177.2-172.500113M757 R1018M757-E954 HydrophobicContact CE-CB 3.92Å; M757-E954 HydrophobicContact CE-CG 4.23Å; E954-R1018 HydrophobicContact CB-CB 4.26Å; E954-R1018 HydrophobicContact CG-CB 4.14Å; E954-R1018 PolarHBondContact N-O 2.53Å; E954-R1018 WeakPolarHBondContact OE2-CB 3.33Å; E954-R1018 WeakPolarHBondContact OE2-CD 3.42Å
955S83.5Confident87.1Confident36 Ų3633.2 Ų33.225%0.25217%0.17SC..SBendtrans-145.2146.9176.668.50000111.8P953 D957 R958P953-S955 PolarHBondContact O-N 3.47Å; S955-D957 VanDerWaalsContact C-N 3.32Å; S955-D957 PolarHBondContact O-N 2.9Å; S955-R958 PolarHBondContact O-N 3.35Å; S955-R958 VanDerWaalsContact O-N 3.17Å; S955-R958 PolarHBondContact OG-N 2.83Å
956L86.3Confident86.4Confident2 Ų234.4 Ų34.41%0.0118%0.177CC..THydrogen-bonded Turntrans-68.4-31.5178.2-63.3-170.5000112.8W750 C753 D754 M757 L768 Q792 R958W750-L956 HydrophobicContact CD2-CD1 3.77Å; W750-L956 VanDerWaalsContact CE2-CD1 3.47Å; W750-L956 HydrophobicContact CE3-CD1 4.39Å; W750-L956 HydrophobicContact CG-CD1 4.11Å; W750-L956 HydrophobicContact CH2-CD1 4.45Å; W750-L956 HydrophobicContact CZ2-CB 3.86Å; W750-L956 HydrophobicContact CZ2-CD1 3.85Å; W750-L956 HydrophobicContact CZ2-CG 4.47Å; C753-L956 HydrophobicContact CB-CD1 3.8Å; C753-L956 HydrophobicContact CB-CD2 4.2Å; D754-L956 HydrophobicContact CB-CD1 3.89Å; M757-L956 HydrophobicContact CG-CD2 4.12Å; L768-L956 HydrophobicContact CD2-CD2 3.64Å; Q792-L956 PolarHBondContact NE2-O 2.9Å; L956-R958 PolarHBondContact O-N 2.82Å
957D83Confident85.7Confident77 Ų7735.9 Ų35.941%0.41218%0.184SC..THydrogen-bonded Turntrans-69.3-16.8175.3-57.6-47.3000112.3Q792 S955 I959Q792-D957 PolarHBondContact NE2-O 3.07Å; S955-D957 VanDerWaalsContact C-N 3.32Å; S955-D957 PolarHBondContact O-N 2.9Å; D957-I959 HydrophobicContact CB-CD1 4.07Å; D957-I959 HydrophobicContact CB-CG1 4.05Å; D957-I959 PolarHBondContact O-N 2.92Å
958R88Confident85.4Confident14 Ų1434.8 Ų34.85%0.05318%0.18CC..  trans56.724.1-178.2-61.6175.1166.4158.6-17.9114.2F796 D798 P953 S955 L956F796-R958 HydrophobicContact CE2-CB 4.16Å; F796-R958 HydrophobicContact CE2-CG 4.45Å; D798-R958 PolarHBondContact O-NH1 3.39Å; D798-R958 VanDerWaalsContact O-NH1 3.08Å; D798-R958 IonicContact OD1-CZ 3.6Å; D798-R958 IonicContact OD1-NH1 2.75Å; D798-R958 PolarHBondContact OD1-NH1 3.22Å; D798-R958 IonicContact OD1-NH2 3.37Å; D798-R958 PolarHBondContact OD1-NH2 2.86Å; D798-R958 IonicContact OD2-NH2 3.62Å; D798-R958 PolarHBondContact OD2-NH2 2.89Å; P953-R958 VanDerWaalsContact CG-C 3.46Å; S955-R958 PolarHBondContact O-N 3.35Å; S955-R958 VanDerWaalsContact O-N 3.17Å; S955-R958 PolarHBondContact OG-N 2.83Å; L956-R958 PolarHBondContact O-N 2.82Å
959I84.9Confident84.9Confident125 Ų12539 Ų3964%0.64120%0.196SC*.PPolyproline II helixtrans-87.1122.9178-59.1175000108.9D957D957-I959 HydrophobicContact CB-CD1 4.07Å; D957-I959 HydrophobicContact CB-CG1 4.05Å; D957-I959 PolarHBondContact O-N 2.92Å
960W85.3Confident84.3Confident29 Ų2943.7 Ų43.711%0.1122%0.215CC..PPolyproline II helixtrans-77.8139170.8-70.995.9000110.4P837 A838 L951 P953 A964 V1013 F1017P837-W960 HydrophobicContact CB-CD2 4.21Å; P837-W960 HydrophobicContact CB-CE3 4.12Å; P837-W960 HydrophobicContact CB-CH2 4.07Å; P837-W960 HydrophobicContact CB-CZ2 4.19Å; P837-W960 HydrophobicContact CB-CZ3 4.04Å; P837-W960 HydrophobicContact CG-CD2 3.85Å; P837-W960 HydrophobicContact CG-CE3 3.61Å; P837-W960 HydrophobicContact CG-CG 4.37Å; P837-W960 HydrophobicContact CG-CH2 4.43Å; P837-W960 HydrophobicContact CG-CZ3 3.92Å; A838-W960 HydrophobicContact CB-CZ2 4.28Å; L951-W960 HydrophobicContact CD1-CH2 4.48Å; L951-W960 HydrophobicContact CD1-CZ2 4.46Å; L951-W960 HydrophobicContact CG-CZ2 4.09Å; P953-W960 HydrophobicContact CB-CD2 3.93Å; P953-W960 HydrophobicContact CB-CE3 3.99Å; P953-W960 HydrophobicContact CB-CG 4.43Å; P953-W960 HydrophobicContact CB-CZ2 4.46Å; P953-W960 HydrophobicContact CB-CZ3 4.32Å; P953-W960 HydrophobicContact CG-CD2 4.14Å; P953-W960 HydrophobicContact CG-CG 4.21Å; W960-A964 HydrophobicContact CE3-CB 4.22Å; W960-V1013 HydrophobicContact CH2-CG1 3.74Å; W960-V1013 HydrophobicContact CZ3-CG1 4.18Å; W960-F1017 HydrophobicContact CZ3-CB 4.06Å
961P76.1Confident83.9Confident55 Ų5546 Ų4636%0.35723%0.227SC..PPolyproline II helixtrans-68.2145.7174.428.6-33.5000111D963 A964 R965P961-D963 PolarHBondContact O-N 3.34Å; P961-D963 VanDerWaalsContact O-N 3.1Å; P961-A964 HydrophobicContact CG-CB 3.93Å; P961-A964 PolarHBondContact O-N 3.03Å; P961-R965 PolarHBondContact O-N 2.95Å
962D77Confident83.5Confident95 Ų9546.4 Ų46.451%0.50823%0.229SC..Hα-helixtrans-53.5-33.5178.5-73-54.5000112.7R965 N966D962-R965 PolarHBondContact O-N 3.11Å; D962-R965 IonicContact OD1-CZ 2.67Å; D962-R965 IonicContact OD1-NH1 2.73Å; D962-R965 PolarHBondContact OD1-NH1 3.23Å; D962-R965 IonicContact OD1-NH2 2.66Å; D962-R965 PolarHBondContact OD1-NH2 3.33Å; D962-N966 WeakPolarHBondContact O-CB 3.42Å; D962-N966 PolarHBondContact O-N 3.45Å; D962-N966 PolarHBondContact O-ND2 2.91Å; D962-N966 VanDerWaalsContact O-ND2 3.11Å
963D70.6Confident83.2Confident52 Ų5247.3 Ų47.328%0.27823%0.233SC..Hα-helixtrans-60.6-40.1175.2-97.323.3000113.1P961 N966 L967P961-D963 PolarHBondContact O-N 3.34Å; P961-D963 VanDerWaalsContact O-N 3.1Å; D963-N966 PolarHBondContact O-N 2.87Å; D963-L967 VanDerWaalsContact O-CB 3.25Å; D963-L967 WeakPolarHBondContact O-CB 3.05Å; D963-L967 PolarHBondContact O-N 3.22Å
964A81.4Confident82.5Confident1 Ų155.2 Ų55.21%0.00826%0.262CS..Hα-helixtrans-68.9-44.2178.300000111.1P837 W960 P961 L967 V968 F1017P837-A964 HydrophobicContact CG-CB 3.8Å; W960-A964 HydrophobicContact CE3-CB 4.22Å; P961-A964 HydrophobicContact CG-CB 3.93Å; P961-A964 PolarHBondContact O-N 3.03Å; A964-L967 PolarHBondContact O-N 2.89Å; A964-V968 WeakPolarHBondContact O-CB 3.18Å; A964-V968 WeakPolarHBondContact O-CG2 3.38Å; A964-V968 PolarHBondContact O-N 2.79Å; A964-F1017 HydrophobicContact CB-CD1 3.67Å; A964-F1017 HydrophobicContact CB-CD2 4.47Å; A964-F1017 HydrophobicContact CB-CE1 3.51Å; A964-F1017 HydrophobicContact CB-CE2 4.33Å; A964-F1017 HydrophobicContact CB-CG 4.16Å; A964-F1017 HydrophobicContact CB-CZ 3.84Å
965R87Confident81.3Confident70 Ų7057.8 Ų57.826%0.26427%0.269SS..Hα-helixtrans-58-47.6170.8-178.1-16871.3-140.2-11.5111.2C834 Y835 P961 D962 R969C834-R965 VanDerWaalsContact O-CD 3.24Å; C834-R965 WeakPolarHBondContact O-CD 3.42Å; C834-R965 VanDerWaalsContact O-CG 3.26Å; C834-R965 WeakPolarHBondContact O-CG 3.4Å; Y835-R965 WeakPolarHBondContact O-CD 3.24Å; Y835-R965 WeakPolarHBondContact O-CG 3.39Å; P961-R965 PolarHBondContact O-N 2.95Å; D962-R965 PolarHBondContact O-N 3.11Å; D962-R965 IonicContact OD1-CZ 2.67Å; D962-R965 IonicContact OD1-NH1 2.73Å; D962-R965 PolarHBondContact OD1-NH1 3.23Å; D962-R965 IonicContact OD1-NH2 2.66Å; D962-R965 PolarHBondContact OD1-NH2 3.33Å; R965-R969 WeakPolarHBondContact O-CB 3.42Å; R965-R969 PolarHBondContact O-N 2.82Å
966N81.4Confident79.6Confident39 Ų3958.4 Ų58.421%0.20927%0.271CS..Hα-helixtrans-64.7-40.6-178-81.3-34.6000112.4D962 D963 R969 K970D962-N966 WeakPolarHBondContact O-CB 3.42Å; D962-N966 PolarHBondContact O-N 3.45Å; D962-N966 PolarHBondContact O-ND2 2.91Å; D962-N966 VanDerWaalsContact O-ND2 3.11Å; D963-N966 PolarHBondContact O-N 2.87Å; N966-R969 PolarHBondContact OD1-NH2 3.05Å; N966-K970 WeakPolarHBondContact O-CB 3.35Å; N966-K970 VanDerWaalsContact O-CG 3.31Å; N966-K970 WeakPolarHBondContact O-CG 3.45Å; N966-K970 PolarHBondContact O-N 3.34Å
967L82.3Confident77.6Confident31 Ų3166.1 Ų66.116%0.16231%0.307CS..Hα-helixtrans-67.3-54.6175.5-169.4157.8000109.4D963 A964 R969 K970 D971 F1012 F1017D963-L967 VanDerWaalsContact O-CB 3.25Å; D963-L967 WeakPolarHBondContact O-CB 3.05Å; D963-L967 PolarHBondContact O-N 3.22Å; A964-L967 PolarHBondContact O-N 2.89Å; L967-R969 PolarHBondContact O-N 3.44Å; L967-R969 VanDerWaalsContact O-N 3.16Å; L967-K970 PolarHBondContact O-N 2.88Å; L967-D971 HydrophobicContact CD2-CB 3.8Å; L967-D971 HydrophobicContact CG-CB 4.22Å; L967-D971 WeakPolarHBondContact O-CA 3.35Å; L967-D971 WeakPolarHBondContact O-CB 3.43Å; L967-D971 PolarHBondContact O-N 3.31Å; L967-F1012 HydrophobicContact CD2-CE1 3.66Å; L967-F1012 HydrophobicContact CD2-CZ 3.53Å; L967-F1017 HydrophobicContact CB-CZ 4.01Å; L967-F1017 HydrophobicContact CD1-CE1 4.46Å; L967-F1017 HydrophobicContact CD1-CZ 4.16Å; L967-F1017 HydrophobicContact CD2-CE2 4.38Å; L967-F1017 HydrophobicContact CD2-CZ 3.84Å; L967-F1017 HydrophobicContact CG-CZ 4.21Å
968V88.4Confident75.9Confident0 Ų070.6 Ų70.60%033%0.331CS..Hα-helixtrans-52.8-42.4176.3170.50000112P837 A964 K970 F972 F973 L1009 F1012 V1013 F1017P837-V968 HydrophobicContact CB-CG2 4.07Å; P837-V968 HydrophobicContact CG-CG2 4.02Å; A964-V968 WeakPolarHBondContact O-CB 3.18Å; A964-V968 WeakPolarHBondContact O-CG2 3.38Å; A964-V968 PolarHBondContact O-N 2.79Å; V968-K970 PolarHBondContact O-N 3.19Å; V968-F972 HydrophobicContact CG1-CB 4.36Å; V968-F972 WeakPolarHBondContact O-CA 3.42Å; V968-F972 WeakPolarHBondContact O-CB 3.36Å; V968-F972 PolarHBondContact O-N 2.91Å; V968-F973 HydrophobicContact CG1-CD2 3.91Å; V968-F973 HydrophobicContact CG1-CE2 3.51Å; V968-F973 HydrophobicContact CG1-CZ 4.31Å; V968-F973 PolarHBondContact O-N 3.13Å; V968-F973 VanDerWaalsContact O-N 3.1Å; V968-L1009 HydrophobicContact CG1-CD1 3.76Å; V968-F1012 HydrophobicContact CG2-CD1 4.27Å; V968-F1012 HydrophobicContact CG2-CE1 3.95Å; V968-V1013 HydrophobicContact CG2-CG2 3.96Å; V968-F1017 HydrophobicContact CG2-CE2 3.91Å; V968-F1017 HydrophobicContact CG2-CZ 4.49Å
969R87.4Confident74.3Confident95 Ų9575.6 Ų75.636%0.35835%0.353SS..Iπ-helixtrans-62-38.7175.7-175.6174.264.5149.6-4.2114R965 N966 L967 R974R965-R969 WeakPolarHBondContact O-CB 3.42Å; R965-R969 PolarHBondContact O-N 2.82Å; N966-R969 PolarHBondContact OD1-NH2 3.05Å; L967-R969 PolarHBondContact O-N 3.44Å; L967-R969 VanDerWaalsContact O-N 3.16Å; R969-R974 WeakPolarHBondContact O-CB 3.31Å; R969-R974 WeakPolarHBondContact O-CD 3.47Å; R969-R974 WeakPolarHBondContact O-CG 3.45Å; R969-R974 PolarHBondContact O-N 3.38Å
970K82.4Confident72.9Confident123 Ų12378.9 Ų78.954%0.53536%0.357SS..Iπ-helixtrans-85.2-37.5179.4-72.9176.5178.9-1790113N966 L967 V968 R974 R975N966-K970 WeakPolarHBondContact O-CB 3.35Å; N966-K970 VanDerWaalsContact O-CG 3.31Å; N966-K970 WeakPolarHBondContact O-CG 3.45Å; N966-K970 PolarHBondContact O-N 3.34Å; L967-K970 PolarHBondContact O-N 2.88Å; V968-K970 PolarHBondContact O-N 3.19Å; K970-R974 CarbonylContact O-C 3.6Å; K970-R974 WeakPolarHBondContact O-CB 3.45Å; K970-R975 PolarHBondContact O-N 3.23Å
971D82.7Confident71.8Confident48 Ų4882.4 Ų82.426%0.25738%0.378SS..Iπ-helixtrans-114.1-6.3-159.5-75.132.1000113.7L967 R975 F1012L967-D971 HydrophobicContact CD2-CB 3.8Å; L967-D971 HydrophobicContact CG-CB 4.22Å; L967-D971 WeakPolarHBondContact O-CA 3.35Å; L967-D971 WeakPolarHBondContact O-CB 3.43Å; L967-D971 PolarHBondContact O-N 3.31Å; D971-R975 WeakPolarHBondContact O-CB 3.36Å; D971-R975 WeakPolarHBondContact O-CD 3.46Å; D971-R975 PolarHBondContact O-NE 3.14Å; D971-R975 IonicContact OD2-CZ 2.72Å; D971-R975 IonicContact OD2-NE 2.78Å; D971-R975 IonicContact OD2-NH2 3.93Å; D971-R975 PolarHBondContact OD2-NH2 2.99Å; D971-F1012 HydrophobicContact CB-CE2 4.39Å; D971-F1012 HydrophobicContact CB-CZ 3.79Å; D971-F1012 VanDerWaalsContact O-CE2 3.27Å; D971-F1012 WeakPolarHBondContact O-CE2 3.26Å
972F86.4Confident71.9Confident8 Ų880.8 Ų80.84%0.03537%0.365CS..Iπ-helixtrans-115.6-59.9163.1-169.9-90.4000109.8V968 R974 R982 F984 D1003 N1007 L1009 F1012V968-F972 HydrophobicContact CG1-CB 4.36Å; V968-F972 WeakPolarHBondContact O-CA 3.42Å; V968-F972 WeakPolarHBondContact O-CB 3.36Å; V968-F972 PolarHBondContact O-N 2.91Å; F972-R974 PolarHBondContact O-N 3.19Å; F972-R982 PolarHBondContact O-NH1 3.41Å; F972-F984 HydrophobicContact CD1-CE1 4.4Å; F972-F984 HydrophobicContact CE1-CD1 4.22Å; F972-F984 AromaticContact CE1-CE1 4Å; F972-F984 HydrophobicContact CE1-CE1 4Å; F972-D1003 HydrophobicContact CZ-CB 4.49Å; F972-N1007 HydrophobicContact CE2-CB 4.04Å; F972-N1007 HydrophobicContact CZ-CB 4.48Å; F972-N1007 WeakPolarHBondContact CZ-O 3.48Å; F972-L1009 HydrophobicContact CB-CD1 4.16Å; F972-L1009 HydrophobicContact CD1-CB 4.35Å; F972-L1009 HydrophobicContact CD1-CD1 3.81Å; F972-L1009 HydrophobicContact CD1-CG 4.45Å; F972-L1009 HydrophobicContact CD2-CD1 4.04Å; F972-L1009 HydrophobicContact CE1-CB 3.85Å; F972-L1009 HydrophobicContact CE1-CD1 4.21Å; F972-L1009 HydrophobicContact CE1-CD2 4.48Å; F972-L1009 HydrophobicContact CE1-CG 4.39Å; F972-L1009 HydrophobicContact CE2-CB 4.03Å; F972-L1009 HydrophobicContact CE2-CD1 4.41Å; F972-L1009 HydrophobicContact CG-CD1 3.73Å; F972-L1009 HydrophobicContact CZ-CB 3.67Å; F972-L1009 HydrophobicContact CZ-CD1 4.49Å; F972-F1012 HydrophobicContact CB-CD1 4.34Å; F972-F1012 HydrophobicContact CB-CD2 4.43Å; F972-F1012 HydrophobicContact CB-CE1 4.24Å; F972-F1012 HydrophobicContact CB-CE2 4.3Å; F972-F1012 HydrophobicContact CB-CG 4.46Å; F972-F1012 HydrophobicContact CB-CZ 4.22Å; F972-F1012 HydrophobicContact CD2-CB 3.93Å; F972-F1012 HydrophobicContact CD2-CD1 4.42Å; F972-F1012 AromaticContact CD2-CD2 3.83Å; F972-F1012 HydrophobicContact CD2-CD2 3.83Å; F972-F1012 HydrophobicContact CD2-CE2 4.44Å; F972-F1012 AromaticContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CE2-CB 4.3Å
973F85.1Confident72.3Confident20 Ų2079.8 Ų79.89%0.08836%0.357CS..Iπ-helixtrans-70.4-32.9-174.3-62.9-55.4000114.2V831 C834 L840 V968 R982 F984 L1009V831-F973 HydrophobicContact CB-CD1 4.5Å; V831-F973 HydrophobicContact CG2-CD1 3.94Å; V831-F973 HydrophobicContact CG2-CE1 3.75Å; V831-F973 HydrophobicContact CG2-CZ 4.3Å; C834-F973 HydrophobicContact CB-CD2 4.16Å; C834-F973 HydrophobicContact CB-CE2 4.05Å; L840-F973 HydrophobicContact CD1-CE1 4.3Å; L840-F973 HydrophobicContact CD1-CE2 4.36Å; L840-F973 HydrophobicContact CD1-CZ 3.62Å; L840-F973 HydrophobicContact CD2-CE2 3.64Å; L840-F973 HydrophobicContact CD2-CZ 3.75Å; L840-F973 HydrophobicContact CG-CZ 4.37Å; V968-F973 HydrophobicContact CG1-CD2 3.91Å; V968-F973 HydrophobicContact CG1-CE2 3.51Å; V968-F973 HydrophobicContact CG1-CZ 4.31Å; V968-F973 PolarHBondContact O-N 3.13Å; V968-F973 VanDerWaalsContact O-N 3.1Å; F973-R982 PolarHBondContact O-NH1 2.87Å; F973-F984 HydrophobicContact CD1-CD1 4.28Å; F973-F984 AromaticContact CD1-CE1 3.7Å; F973-F984 HydrophobicContact CD1-CE1 3.7Å; F973-F984 HydrophobicContact CD1-CE2 4.13Å; F973-F984 AromaticContact CD1-CZ 3.64Å; F973-F984 HydrophobicContact CD1-CZ 3.64Å; F973-F984 HydrophobicContact CE1-CD1 4.3Å; F973-F984 HydrophobicContact CE1-CE1 4.15Å; F973-F984 HydrophobicContact CE1-CZ 4.42Å; F973-L1009 HydrophobicContact CE1-CD2 4.25Å; F973-L1009 HydrophobicContact CE2-CD2 4.48Å; F973-L1009 HydrophobicContact CZ-CD2 3.63Å
974R74.2Confident73.4Confident172 Ų17277.7 Ų77.765%0.64935%0.346SS*.SBendtrans-105.4-1.8-178-70.2175178.4-158-1115.9R969 K970 F972 T976R969-R974 WeakPolarHBondContact O-CB 3.31Å; R969-R974 WeakPolarHBondContact O-CD 3.47Å; R969-R974 WeakPolarHBondContact O-CG 3.45Å; R969-R974 PolarHBondContact O-N 3.38Å; K970-R974 CarbonylContact O-C 3.6Å; K970-R974 WeakPolarHBondContact O-CB 3.45Å; F972-R974 PolarHBondContact O-N 3.19Å; R974-T976 PolarHBondContact O-N 3.45Å
975R54.9Low74.1Confident122 Ų12280.4 Ų80.446%0.4636%0.358SS..  trans-67.6-25.5-153.1-149.9-176.4-131.3169.2-1.9116.8K970 D971K970-R975 PolarHBondContact O-N 3.23Å; D971-R975 WeakPolarHBondContact O-CB 3.36Å; D971-R975 WeakPolarHBondContact O-CD 3.46Å; D971-R975 PolarHBondContact O-NE 3.14Å; D971-R975 IonicContact OD2-CZ 2.72Å; D971-R975 IonicContact OD2-NE 2.78Å; D971-R975 IonicContact OD2-NH2 3.93Å; D971-R975 PolarHBondContact OD2-NH2 2.99Å
976T46.4Very low74.6Confident49 Ų4977.1 Ų77.130%0.30135%0.346SS..SBendtrans-134.2125.8-167.934.80000114.4R974R974-T976 PolarHBondContact O-N 3.45Å
977H44.3Very low75.3Confident163 Ų16378.6 Ų78.676%0.75536%0.356SS*.SBendtrans38.797.5161.9-57-74.7000119.3K979H977-K979 WeakPolarHBondContact O-CG 3.27Å; H977-K979 PolarHBondContact O-N 2.83Å
978N47.3Very low76Confident171 Ų17177.4 Ų77.491%0.91435%0.35SS*.  trans420.3145.7-80.6-8000121.7R980N978-R980 PolarHBondContact O-N 2.84Å
979K54.3Low76.3Confident120 Ų12080.5 Ų80.552%0.52237%0.365SS..  trans-74.594.5178.3-73.6175.1-178.5173.30106.9H977 N981 R982 E1005H977-K979 WeakPolarHBondContact O-CG 3.27Å; H977-K979 PolarHBondContact O-N 2.83Å; K979-N981 PolarHBondContact O-N 3.34Å; K979-N981 VanDerWaalsContact O-N 3.09Å; K979-R982 HydrophobicContact CB-CG 4.13Å; K979-E1005 IonicContact NZ-OE1 3.18Å
980R56.6Low76.5Confident194 Ų19476.8 Ų76.873%0.73235%0.353SS*.SBendtrans-55.8-27.7179.7-66.7179.8176.3176.1-2111.8R853 N978R853-R980 VanDerWaalsContact CZ-O 3.24Å; R853-R980 PolarHBondContact NH2-O 3.38Å; N978-R980 PolarHBondContact O-N 2.84Å
981N62Low77Confident103 Ų10371.6 Ų71.655%0.55133%0.333SS*.  trans-114.976.2178.3-60.6-7.1000111.2R853 K979R853-N981 PolarHBondContact NE-OD1 3.3Å; R853-N981 VanDerWaalsContact NE-OD1 3.11Å; R853-N981 PolarHBondContact NH2-OD1 3.21Å; K979-N981 PolarHBondContact O-N 3.34Å; K979-N981 VanDerWaalsContact O-N 3.09Å
982R78.1Confident77.4Confident20 Ų2070 Ų708%0.07532%0.324CS..  trans-78.6132162.9-65.5-173.377.1-155.48.5109L830 F972 F973 K979 F984 D1003L830-R982 WeakPolarHBondContact CD1-O 3.37Å; F972-R982 PolarHBondContact O-NH1 3.41Å; F973-R982 PolarHBondContact O-NH1 2.87Å; K979-R982 HydrophobicContact CB-CG 4.13Å; R982-F984 HydrophobicContact CB-CE2 4.09Å; R982-F984 HydrophobicContact CB-CZ 4.16Å; R982-D1003 IonicContact CZ-OD2 2.9Å; R982-D1003 IonicContact NH2-OD2 2.7Å; R982-D1003 PolarHBondContact NH2-OD2 2.7Å
983Q85.4Confident77.4Confident75 Ų7571.9 Ų71.935%0.3533%0.333SS..  trans-101.2161.1169.2-72.2-174.1-1300109.7D1004Q983-D1004 PolarHBondContact N-OD2 2.9Å
984F93.6Very high77.5Confident7 Ų774.4 Ų74.43%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-134.1150.8175.9-60.2-87.4000107.9R828 F829 V831 F972 F973 R982 I1001 Y1002 D1003R828-F984 WeakPolarHBondContact CA-O 3.29Å; F829-F984 WeakPolarHBondContact CD1-O 3.46Å; F829-F984 HydrophobicContact CD2-CB 4.07Å; F829-F984 HydrophobicContact CE1-CB 4.3Å; F829-F984 HydrophobicContact CE2-CB 3.58Å; F829-F984 HydrophobicContact CE2-CG 4.44Å; F829-F984 HydrophobicContact CZ-CB 3.71Å; F829-F984 PolarHBondContact N-O 3Å; F829-F984 PolarHBondContact O-N 2.7Å; V831-F984 HydrophobicContact CG2-CD2 3.82Å; V831-F984 HydrophobicContact CG2-CE2 4.16Å; V831-F984 HydrophobicContact CG2-CG 4.35Å; F972-F984 HydrophobicContact CD1-CE1 4.4Å; F972-F984 HydrophobicContact CE1-CD1 4.22Å; F972-F984 AromaticContact CE1-CE1 4Å; F972-F984 HydrophobicContact CE1-CE1 4Å; F973-F984 HydrophobicContact CD1-CD1 4.28Å; F973-F984 AromaticContact CD1-CE1 3.7Å; F973-F984 HydrophobicContact CD1-CE1 3.7Å; F973-F984 HydrophobicContact CD1-CE2 4.13Å; F973-F984 AromaticContact CD1-CZ 3.64Å; F973-F984 HydrophobicContact CD1-CZ 3.64Å; F973-F984 HydrophobicContact CE1-CD1 4.3Å; F973-F984 HydrophobicContact CE1-CE1 4.15Å; F973-F984 HydrophobicContact CE1-CZ 4.42Å; R982-F984 HydrophobicContact CB-CE2 4.09Å; R982-F984 HydrophobicContact CB-CZ 4.16Å; F984-I1001 HydrophobicContact CB-CG2 4.2Å; F984-I1001 HydrophobicContact CD1-CG2 4.46Å; F984-Y1002 CarbonylContact C-O 3.54Å; F984-Y1002 VanDerWaalsContact CA-O 3.3Å; F984-Y1002 WeakPolarHBondContact CA-O 3.39Å; F984-D1003 HydrophobicContact CD1-CB 3.73Å; F984-D1003 HydrophobicContact CE1-CB 3.61Å
985H95.4Very high78.4Confident59 Ų5966.8 Ų66.827%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-134.2149.5-179.963.7-85.5000111.9L826 I827 R828 Y1002 D1003L826-H985 HydrophobicContact CD1-CB 4.27Å; I827-H985 WeakPolarHBondContact O-CA 3.49Å; I827-H985 WeakPolarHBondContact O-CB 3.28Å; R828-H985 HydrophobicContact CG-CB 4.41Å; H985-Y1002 PolarHBondContact N-O 3.27Å; H985-Y1002 WeakPolarHBondContact NE2-CB 3.22Å; H985-Y1002 PolarHBondContact O-N 2.91Å; H985-D1003 PolarHBondContact CE1-O 3.16Å
986A97.2Very high80.4Confident0 Ų061 Ų610%029%0.293CS..EExtended strand (participates in β ladder)trans-153.7158.2-17900000110.7I827 F829 V998 N1000 I1001I827-A986 HydrophobicContact CG1-CB 4.28Å; I827-A986 VanDerWaalsContact CG1-O 3.3Å; I827-A986 WeakPolarHBondContact CG1-O 3.44Å; I827-A986 PolarHBondContact N-O 3.06Å; I827-A986 PolarHBondContact O-N 3.41Å; I827-A986 VanDerWaalsContact O-N 3.15Å; F829-A986 HydrophobicContact CE1-CB 3.79Å; F829-A986 HydrophobicContact CZ-CB 4.39Å; A986-V998 HydrophobicContact CB-CB 4.01Å; A986-V998 HydrophobicContact CB-CG1 3.69Å; A986-V998 HydrophobicContact CB-CG2 4.2Å; A986-N1000 VanDerWaalsContact CB-O 3.26Å; A986-N1000 WeakPolarHBondContact CB-O 3.41Å; A986-I1001 HydrophobicContact CB-CG1 4.25Å
987V96.9Very high82.8Confident71 Ų7158.8 Ų58.843%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-104.1114.6175.6-177.50000109.3G825 L826 Q989G825-V987 WeakPolarHBondContact O-CA 3.37Å; L826-V987 HydrophobicContact CD1-CG2 4.05Å; V987-Q989 PolarHBondContact O-N 3.49Å; V987-Q989 PolarHBondContact O-NE2 3.05Å
988V96.8Very high85.3Confident5 Ų551 Ų513%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-63.2127.9177.6-179.10000109.6P822 G825 I827 I996P822-V988 HydrophobicContact CB-CG2 4.32Å; P822-V988 HydrophobicContact CG-CG2 4.23Å; G825-V988 PolarHBondContact O-N 2.96Å; I827-V988 HydrophobicContact CB-CG2 4.5Å; I827-V988 HydrophobicContact CD1-CG2 3.97Å; I827-V988 HydrophobicContact CG1-CG2 4.01Å; I827-V988 HydrophobicContact CG2-CG2 3.68Å; V988-I996 HydrophobicContact CB-CG2 4.41Å; V988-I996 HydrophobicContact CG1-CG2 3.95Å; V988-I996 HydrophobicContact CG2-CG2 3.74Å
989Q94.7Very high87.5Confident66 Ų6650.8 Ų50.831%0.30823%0.229SC..EExtended strand (participates in β ladder)trans-93.9-45.5173-59.9-57.4-83.100110.9V987 F997 R999V987-Q989 PolarHBondContact O-N 3.49Å; V987-Q989 PolarHBondContact O-NE2 3.05Å; Q989-F997 PolarHBondContact N-O 3.1Å; Q989-R999 HydrophobicContact CG-CG 3.69Å
990S92.4Very high89.5Confident17 Ų1745.5 Ų45.512%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-156.2156.5-179.3540000109.1F997 Q1026S990-F997 PolarHBondContact O-N 3.25Å; S990-Q1026 PolarHBondContact OG-NE2 2.93Å; S990-Q1026 PolarHBondContact OG-OE1 3.32Å
991A93.1Very high91.4Very high14 Ų1436.3 Ų36.312%0.11617%0.172CC..EExtended strand (participates in β ladder)trans-129.3123.9167.100000107.3P817 T995P817-A991 HydrophobicContact CB-CB 3.88Å; P817-A991 HydrophobicContact CG-CB 3.96Å; P817-A991 WeakPolarHBondContact CG-O 3.48Å; A991-T995 WeakPolarHBondContact CA-O 3.35Å
992I90.4Very high93Very high13 Ų1335.2 Ų35.27%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-132.1130.2-175.8-53.8171.9000106.4M810 R994 T995 F997 L1029 M1032 V1033M810-I992 HydrophobicContact CE-CG2 3.96Å; M810-I992 HydrophobicContact SD-CG2 4.01Å; I992-R994 PolarHBondContact O-N 3.32Å; I992-T995 PolarHBondContact N-O 3.47Å; I992-T995 PolarHBondContact O-N 3.49Å; I992-F997 HydrophobicContact CB-CE2 4.19Å; I992-F997 HydrophobicContact CD1-CE2 4.28Å; I992-F997 HydrophobicContact CG1-CE2 4.39Å; I992-L1029 HydrophobicContact CD1-CB 3.81Å; I992-M1032 HydrophobicContact CG2-CE 4.3Å; I992-V1033 HydrophobicContact CD1-CG2 4.12Å; I992-V1033 HydrophobicContact CG1-CG2 4.39Å; I992-V1033 HydrophobicContact CG2-CG2 3.61Å
993H86.3Confident93.5Very high48 Ų4834.5 Ų34.522%0.22216%0.159CC..THydrogen-bonded Turntrans49.6-131-171.4-166.461.1000111.3M810 E814 P817 P818 T995M810-H993 HydrophobicContact CE-CB 4.18Å; E814-H993 WeakPolarHBondContact CA-ND1 3.48Å; E814-H993 WeakPolarHBondContact CB-ND1 3.42Å; E814-H993 WeakPolarHBondContact O-CA 3.49Å; E814-H993 WeakPolarHBondContact O-CB 3.45Å; E814-H993 PolarHBondContact O-N 3.28Å; E814-H993 PolarHBondContact O-ND1 2.95Å; E814-H993 VanDerWaalsContact O-ND1 3.12Å; P817-H993 VanDerWaalsContact CA-O 3.25Å; P817-H993 WeakPolarHBondContact CA-O 3.33Å; P817-H993 WeakPolarHBondContact CB-O 3.39Å; P818-H993 WeakPolarHBondContact CD-O 3.49Å; H993-T995 VanDerWaalsContact C-N 3.3Å; H993-T995 PolarHBondContact O-N 2.98Å
994R87.7Confident93.5Very high74 Ų7435 Ų3528%0.27916%0.164SC..THydrogen-bonded Turntrans-91.617-179.3-61.8172.4-177-168.52113.2Y821 I992Y821-R994 VanDerWaalsContact CE1-O 3.28Å; Y821-R994 WeakPolarHBondContact CE1-O 3.28Å; Y821-R994 PolarHBondContact OH-O 3.47Å; I992-R994 PolarHBondContact O-N 3.32Å
995T93.6Very high93Very high12 Ų1239.5 Ų39.57%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-121.7131-171.3-50.60000111.9D945 R947 A991 I992 H993 F997D945-T995 WeakPolarHBondContact O-CA 3.32Å; R947-T995 HydrophobicContact CB-CG2 4.32Å; R947-T995 HydrophobicContact CG-CG2 3.75Å; A991-T995 WeakPolarHBondContact CA-O 3.35Å; I992-T995 PolarHBondContact N-O 3.47Å; I992-T995 PolarHBondContact O-N 3.49Å; H993-T995 VanDerWaalsContact C-N 3.3Å; H993-T995 PolarHBondContact O-N 2.98Å; T995-F997 HydrophobicContact CG2-CD2 4.24Å; T995-F997 HydrophobicContact CG2-CE1 4.14Å; T995-F997 HydrophobicContact CG2-CE2 3.68Å; T995-F997 HydrophobicContact CG2-CZ 3.64Å
996I96.1Very high92.5Very high0 Ų039.1 Ų39.10%020%0.197CC..EExtended strand (participates in β ladder)trans-101126.6173.5-57.4170.7000108.5Y821 P822 I827 M944 D945 L946 R947 V988 V998Y821-I996 HydrophobicContact CD1-CD1 3.94Å; Y821-I996 HydrophobicContact CD1-CG1 3.62Å; Y821-I996 HydrophobicContact CE1-CD1 4.29Å; Y821-I996 HydrophobicContact CE1-CG1 4.01Å; P822-I996 HydrophobicContact CG-CD1 3.92Å; I827-I996 HydrophobicContact CD1-CG2 4.47Å; M944-I996 HydrophobicContact CB-CD1 4.08Å; M944-I996 HydrophobicContact CG-CD1 4.47Å; M944-I996 HydrophobicContact SD-CD1 3.66Å; D945-I996 PolarHBondContact O-N 3.09Å; L946-I996 WeakPolarHBondContact CA-O 3.41Å; L946-I996 HydrophobicContact CD1-CB 3.77Å; L946-I996 HydrophobicContact CD1-CG2 3.61Å; R947-I996 PolarHBondContact N-O 3.27Å; V988-I996 HydrophobicContact CB-CG2 4.41Å; V988-I996 HydrophobicContact CG1-CG2 3.95Å; V988-I996 HydrophobicContact CG2-CG2 3.74Å; I996-V998 HydrophobicContact CG2-CG1 4.42Å
997F96.3Very high92.1Very high2 Ų242.8 Ų42.81%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-103.8130.7177.9-66.3-87.1000111.3R947 L949 Q989 S990 I992 T995 L1029R947-F997 HydrophobicContact CB-CD1 4.1Å; R947-F997 HydrophobicContact CB-CE1 4.17Å; L949-F997 HydrophobicContact CD1-CB 4.42Å; L949-F997 HydrophobicContact CD1-CD1 4.06Å; L949-F997 HydrophobicContact CD1-CG 4.46Å; Q989-F997 PolarHBondContact N-O 3.1Å; S990-F997 PolarHBondContact O-N 3.25Å; I992-F997 HydrophobicContact CB-CE2 4.19Å; I992-F997 HydrophobicContact CD1-CE2 4.28Å; I992-F997 HydrophobicContact CG1-CE2 4.39Å; T995-F997 HydrophobicContact CG2-CD2 4.24Å; T995-F997 HydrophobicContact CG2-CE1 4.14Å; T995-F997 HydrophobicContact CG2-CE2 3.68Å; T995-F997 HydrophobicContact CG2-CZ 3.64Å; F997-L1029 HydrophobicContact CD1-CD1 4.04Å; F997-L1029 HydrophobicContact CD2-CD1 4.49Å; F997-L1029 HydrophobicContact CE1-CD1 3.7Å; F997-L1029 HydrophobicContact CE2-CD1 4.19Å; F997-L1029 HydrophobicContact CG-CD1 4.42Å; F997-L1029 HydrophobicContact CZ-CD1 3.77Å; F997-L1029 HydrophobicContact CZ-CD2 4.17Å
998V97.1Very high91.9Very high0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-129151.9178.4-64.40000110.3L946 R947 I948 L949 A986 I996 N1000 I1001L946-V998 HydrophobicContact CD1-CG1 3.68Å; L946-V998 HydrophobicContact CD1-CG2 4.1Å; L946-V998 HydrophobicContact CG-CG2 4.27Å; R947-V998 WeakPolarHBondContact O-CG2 3.18Å; R947-V998 PolarHBondContact O-N 2.87Å; I948-V998 WeakPolarHBondContact CA-O 3.48Å; L949-V998 PolarHBondContact N-O 3.01Å; A986-V998 HydrophobicContact CB-CB 4.01Å; A986-V998 HydrophobicContact CB-CG1 3.69Å; A986-V998 HydrophobicContact CB-CG2 4.2Å; I996-V998 HydrophobicContact CG2-CG1 4.42Å; V998-N1000 VanDerWaalsContact C-N 3.34Å; V998-I1001 HydrophobicContact CG2-CD1 4.45Å; V998-I1001 HydrophobicContact CG2-CG1 3.98Å
999R94.6Very high91.7Very high166 Ų16641.2 Ų41.263%0.62621%0.205SC*.SBendtrans-71.4-32.2172.2-66.9-170.5-172.5-153.8-2.4112.5Q989Q989-R999 HydrophobicContact CG-CG 3.69Å
1000N95.8Very high91.7Very high10 Ų1039 Ų395%0.05320%0.195CC..  trans-162.6166.5-172.4-154.9-4.4000111.3A986 V998 Y1002 D1008 L1010A986-N1000 VanDerWaalsContact CB-O 3.26Å; A986-N1000 WeakPolarHBondContact CB-O 3.41Å; V998-N1000 VanDerWaalsContact C-N 3.34Å; N1000-Y1002 HydrophobicContact CB-CE2 3.97Å; N1000-Y1002 WeakPolarHBondContact ND2-CE1 3.24Å; N1000-Y1002 PolarHBondContact ND2-OH 3.31Å; N1000-D1008 PolarHBondContact ND2-OD1 2.88Å; N1000-D1008 PolarHBondContact ND2-OD2 3.48Å; N1000-D1008 PolarHBondContact OD1-OD1 2.87Å; N1000-D1008 VanDerWaalsContact OD1-OD1 3.08Å; N1000-L1010 WeakPolarHBondContact OD1-CB 3.2Å; N1000-L1010 PolarHBondContact OD1-N 2.9Å
1001I96.4Very high91.6Very high1 Ų140.5 Ų40.51%0.00521%0.206CC..  trans-129.1132.6174.9-65174.8000108.4F829 L840 L946 I948 F984 A986 V998 L1009F829-I1001 HydrophobicContact CE2-CG2 4.4Å; F829-I1001 HydrophobicContact CZ-CD1 4.15Å; F829-I1001 HydrophobicContact CZ-CG1 4.11Å; F829-I1001 HydrophobicContact CZ-CG2 3.76Å; L840-I1001 HydrophobicContact CD1-CD1 3.48Å; L840-I1001 VanDerWaalsContact CD1-CD1 3.48Å; L946-I1001 HydrophobicContact CD2-CD1 3.66Å; L946-I1001 HydrophobicContact CD2-CG1 4.25Å; L946-I1001 HydrophobicContact CG-CD1 4.36Å; I948-I1001 HydrophobicContact CD1-CD1 4.49Å; I948-I1001 HydrophobicContact CG1-CD1 4.27Å; I948-I1001 HydrophobicContact CG1-CG1 4.45Å; F984-I1001 HydrophobicContact CB-CG2 4.2Å; F984-I1001 HydrophobicContact CD1-CG2 4.46Å; A986-I1001 HydrophobicContact CB-CG1 4.25Å; V998-I1001 HydrophobicContact CG2-CD1 4.45Å; V998-I1001 HydrophobicContact CG2-CG1 3.98Å; I1001-L1009 HydrophobicContact CB-CB 4.12Å; I1001-L1009 HydrophobicContact CB-CD2 4.07Å; I1001-L1009 HydrophobicContact CD1-CD2 4.17Å; I1001-L1009 HydrophobicContact CG2-CD2 4.37Å; I1001-L1009 WeakPolarHBondContact O-CB 3.38Å; I1001-L1009 PolarHBondContact O-N 2.92Å
1002Y95.1Very high91.4Very high80 Ų8040.6 Ų40.631%0.31420%0.204SC..EExtended strand (participates in β ladder)trans-118.3149.2178.6-54.5-80.9000110.6F984 H985 N1000 N1007 D1008F984-Y1002 CarbonylContact C-O 3.54Å; F984-Y1002 VanDerWaalsContact CA-O 3.3Å; F984-Y1002 WeakPolarHBondContact CA-O 3.39Å; H985-Y1002 PolarHBondContact N-O 3.27Å; H985-Y1002 WeakPolarHBondContact NE2-CB 3.22Å; H985-Y1002 PolarHBondContact O-N 2.91Å; N1000-Y1002 HydrophobicContact CB-CE2 3.97Å; N1000-Y1002 WeakPolarHBondContact ND2-CE1 3.24Å; N1000-Y1002 PolarHBondContact ND2-OH 3.31Å; Y1002-N1007 WeakPolarHBondContact CA-O 3.47Å; Y1002-D1008 HydrophobicContact CD1-CB 4.24Å; Y1002-D1008 HydrophobicContact CE1-CB 4.06Å
1003D89.8Confident91.3Very high4 Ų440 Ų402%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-93.8174.1169.172.912.8000112.4F972 R982 F984 H985 E1005 G1006 N1007F972-D1003 HydrophobicContact CZ-CB 4.49Å; R982-D1003 IonicContact CZ-OD2 2.9Å; R982-D1003 IonicContact NH2-OD2 2.7Å; R982-D1003 PolarHBondContact NH2-OD2 2.7Å; F984-D1003 HydrophobicContact CD1-CB 3.73Å; F984-D1003 HydrophobicContact CE1-CB 3.61Å; H985-D1003 PolarHBondContact CE1-O 3.16Å; D1003-E1005 PolarHBondContact O-N 3.35Å; D1003-E1005 WeakPolarHBondContact OD1-CA 3.27Å; D1003-E1005 WeakPolarHBondContact OD1-CB 3.31Å; D1003-E1005 PolarHBondContact OD1-N 2.8Å; D1003-G1006 PolarHBondContact O-N 3.21Å; D1003-G1006 PolarHBondContact OD1-N 3.36Å; D1003-G1006 VanDerWaalsContact OD1-N 3.15Å; D1003-N1007 PolarHBondContact N-O 2.85Å; D1003-N1007 WeakPolarHBondContact OD1-CB 3.43Å; D1003-N1007 PolarHBondContact OD1-N 2.98Å; D1003-N1007 PolarHBondContact OD1-ND2 3.11Å; D1003-N1007 VanDerWaalsContact OD1-ND2 3.09Å; D1003-N1007 WeakPolarHBondContact OD2-CB 3.4Å; D1003-N1007 PolarHBondContact OD2-ND2 3.19Å
1004D83.8Confident91.3Very high87 Ų8741.2 Ų41.247%0.46521%0.208SC..THydrogen-bonded Turntrans-59.7-13.7178.8-56.9-42.1000114.3Q983Q983-D1004 PolarHBondContact N-OD2 2.9Å
1005E83.8Confident91Very high101 Ų10143.9 Ų43.947%0.47223%0.228SC..THydrogen-bonded Turntrans-100.61.3178.6-70.9164.9-161.600111.8K979 D1003 N1007K979-E1005 IonicContact NZ-OE1 3.18Å; D1003-E1005 PolarHBondContact O-N 3.35Å; D1003-E1005 WeakPolarHBondContact OD1-CA 3.27Å; D1003-E1005 WeakPolarHBondContact OD1-CB 3.31Å; D1003-E1005 PolarHBondContact OD1-N 2.8Å; E1005-N1007 VanDerWaalsContact C-N 3.34Å; E1005-N1007 WeakPolarHBondContact CB-ND2 3.11Å
1006G85.1Confident90.2Very high50 Ų5048.7 Ų48.752%0.51525%0.245SC..  trans79.810-178.400000114.3D1003D1003-G1006 PolarHBondContact O-N 3.21Å; D1003-G1006 PolarHBondContact OD1-N 3.36Å; D1003-G1006 VanDerWaalsContact OD1-N 3.15Å
1007N89.1Confident89.4Confident77 Ų7749.9 Ų49.941%0.41225%0.25SS..  trans-69.9136.9177-58.1-73.4000110.5F972 Y1002 D1003 E1005F972-N1007 HydrophobicContact CE2-CB 4.04Å; F972-N1007 HydrophobicContact CZ-CB 4.48Å; F972-N1007 WeakPolarHBondContact CZ-O 3.48Å; Y1002-N1007 WeakPolarHBondContact CA-O 3.47Å; D1003-N1007 PolarHBondContact N-O 2.85Å; D1003-N1007 WeakPolarHBondContact OD1-CB 3.43Å; D1003-N1007 PolarHBondContact OD1-N 2.98Å; D1003-N1007 PolarHBondContact OD1-ND2 3.11Å; D1003-N1007 VanDerWaalsContact OD1-ND2 3.09Å; D1003-N1007 WeakPolarHBondContact OD2-CB 3.4Å; D1003-N1007 PolarHBondContact OD2-ND2 3.19Å; E1005-N1007 VanDerWaalsContact C-N 3.34Å; E1005-N1007 WeakPolarHBondContact CB-ND2 3.11Å
1008D92.5Very high88.4Confident42 Ų4254.9 Ų54.923%0.22527%0.269CS..BIsolated β-bridgetrans-95.7122.4-174.5171.8-14.2000111.4N1000 Y1002 L1010 S1011 F1012N1000-D1008 PolarHBondContact ND2-OD1 2.88Å; N1000-D1008 PolarHBondContact ND2-OD2 3.48Å; N1000-D1008 PolarHBondContact OD1-OD1 2.87Å; N1000-D1008 VanDerWaalsContact OD1-OD1 3.08Å; Y1002-D1008 HydrophobicContact CD1-CB 4.24Å; Y1002-D1008 HydrophobicContact CE1-CB 4.06Å; D1008-L1010 WeakPolarHBondContact OD1-CA 3.3Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.15Å; D1008-L1010 PolarHBondContact OD1-N 2.88Å; D1008-S1011 VanDerWaalsContact CG-OG 3.22Å; D1008-S1011 PolarHBondContact OD1-N 3.41Å; D1008-S1011 VanDerWaalsContact OD2-CB 3.24Å; D1008-S1011 WeakPolarHBondContact OD2-CB 3.19Å; D1008-S1011 PolarHBondContact OD2-OG 2.73Å; D1008-F1012 WeakPolarHBondContact O-CB 3.45Å; D1008-F1012 PolarHBondContact O-N 3.34Å
1009L93.3Very high87.9Confident1 Ų155.8 Ų55.81%0.00528%0.275CS..Hα-helixtrans-73.2-41.6178-179.655.9000113.4I948 V968 F972 F973 I1001 F1012 V1013I948-L1009 HydrophobicContact CD1-CD2 4.01Å; I948-L1009 HydrophobicContact CD1-CG 4.12Å; V968-L1009 HydrophobicContact CG1-CD1 3.76Å; F972-L1009 HydrophobicContact CB-CD1 4.16Å; F972-L1009 HydrophobicContact CD1-CB 4.35Å; F972-L1009 HydrophobicContact CD1-CD1 3.81Å; F972-L1009 HydrophobicContact CD1-CG 4.45Å; F972-L1009 HydrophobicContact CD2-CD1 4.04Å; F972-L1009 HydrophobicContact CE1-CB 3.85Å; F972-L1009 HydrophobicContact CE1-CD1 4.21Å; F972-L1009 HydrophobicContact CE1-CD2 4.48Å; F972-L1009 HydrophobicContact CE1-CG 4.39Å; F972-L1009 HydrophobicContact CE2-CB 4.03Å; F972-L1009 HydrophobicContact CE2-CD1 4.41Å; F972-L1009 HydrophobicContact CG-CD1 3.73Å; F972-L1009 HydrophobicContact CZ-CB 3.67Å; F972-L1009 HydrophobicContact CZ-CD1 4.49Å; F973-L1009 HydrophobicContact CE1-CD2 4.25Å; F973-L1009 HydrophobicContact CE2-CD2 4.48Å; F973-L1009 HydrophobicContact CZ-CD2 3.63Å; I1001-L1009 HydrophobicContact CB-CB 4.12Å; I1001-L1009 HydrophobicContact CB-CD2 4.07Å; I1001-L1009 HydrophobicContact CD1-CD2 4.17Å; I1001-L1009 HydrophobicContact CG2-CD2 4.37Å; I1001-L1009 WeakPolarHBondContact O-CB 3.38Å; I1001-L1009 PolarHBondContact O-N 2.92Å; L1009-F1012 HydrophobicContact CD1-CD1 4.37Å; L1009-F1012 WeakPolarHBondContact O-CB 3.48Å; L1009-F1012 PolarHBondContact O-N 2.9Å; L1009-V1013 HydrophobicContact CD1-CG2 3.91Å; L1009-V1013 HydrophobicContact CG-CG2 4.41Å; L1009-V1013 WeakPolarHBondContact O-CB 3.47Å; L1009-V1013 VanDerWaalsContact O-CG2 3.29Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; L1009-V1013 PolarHBondContact O-N 2.86Å
1010L93Very high87.6Confident19 Ų1950.7 Ų50.710%0.09926%0.258CS..Hα-helixtrans-59.9-49.6178.1176.964.6000110.6I948 L951 N1000 D1008 F1012 V1013 I1014I948-L1010 HydrophobicContact CG2-CD1 4.22Å; L951-L1010 HydrophobicContact CD1-CD1 3.88Å; L951-L1010 HydrophobicContact CD2-CD1 3.87Å; L951-L1010 HydrophobicContact CG-CD1 4.3Å; N1000-L1010 WeakPolarHBondContact OD1-CB 3.2Å; N1000-L1010 PolarHBondContact OD1-N 2.9Å; D1008-L1010 WeakPolarHBondContact OD1-CA 3.3Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.15Å; D1008-L1010 PolarHBondContact OD1-N 2.88Å; L1010-F1012 VanDerWaalsContact C-N 3.32Å; L1010-F1012 PolarHBondContact O-N 2.86Å; L1010-V1013 PolarHBondContact O-N 2.89Å; L1010-V1013 VanDerWaalsContact O-N 3.17Å; L1010-I1014 HydrophobicContact CD1-CD1 3.67Å; L1010-I1014 HydrophobicContact CD1-CG1 4.17Å; L1010-I1014 HydrophobicContact CG-CD1 3.87Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; L1010-I1014 PolarHBondContact O-N 3.1Å
1011S90.6Very high87.3Confident50 Ų5053.7 Ų53.735%0.3527%0.272SS..Hα-helixtrans-63.6-36.1174.1-67.50000111.8D1008 V1013 N1015D1008-S1011 VanDerWaalsContact CG-OG 3.22Å; D1008-S1011 PolarHBondContact OD1-N 3.41Å; D1008-S1011 VanDerWaalsContact OD2-CB 3.24Å; D1008-S1011 WeakPolarHBondContact OD2-CB 3.19Å; D1008-S1011 PolarHBondContact OD2-OG 2.73Å; S1011-V1013 VanDerWaalsContact C-N 3.29Å; S1011-V1013 PolarHBondContact O-N 3.38Å; S1011-N1015 VanDerWaalsContact O-CB 3.3Å; S1011-N1015 WeakPolarHBondContact O-CB 3.41Å; S1011-N1015 PolarHBondContact O-N 3.32Å; S1011-N1015 PolarHBondContact O-ND2 3.46Å
1012F88.9Confident87Confident16 Ų1654.5 Ų54.57%0.0728%0.276CS..Hα-helixtrans-60.8-39.6173.7176.7-80.1000112.2L967 V968 D971 F972 D1008 L1009 L1010 R1016L967-F1012 HydrophobicContact CD2-CE1 3.66Å; L967-F1012 HydrophobicContact CD2-CZ 3.53Å; V968-F1012 HydrophobicContact CG2-CD1 4.27Å; V968-F1012 HydrophobicContact CG2-CE1 3.95Å; D971-F1012 HydrophobicContact CB-CE2 4.39Å; D971-F1012 HydrophobicContact CB-CZ 3.79Å; D971-F1012 VanDerWaalsContact O-CE2 3.27Å; D971-F1012 WeakPolarHBondContact O-CE2 3.26Å; F972-F1012 HydrophobicContact CB-CD1 4.34Å; F972-F1012 HydrophobicContact CB-CD2 4.43Å; F972-F1012 HydrophobicContact CB-CE1 4.24Å; F972-F1012 HydrophobicContact CB-CE2 4.3Å; F972-F1012 HydrophobicContact CB-CG 4.46Å; F972-F1012 HydrophobicContact CB-CZ 4.22Å; F972-F1012 HydrophobicContact CD2-CB 3.93Å; F972-F1012 HydrophobicContact CD2-CD1 4.42Å; F972-F1012 AromaticContact CD2-CD2 3.83Å; F972-F1012 HydrophobicContact CD2-CD2 3.83Å; F972-F1012 HydrophobicContact CD2-CE2 4.44Å; F972-F1012 AromaticContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CE2-CB 4.3Å; D1008-F1012 WeakPolarHBondContact O-CB 3.45Å; D1008-F1012 PolarHBondContact O-N 3.34Å; L1009-F1012 HydrophobicContact CD1-CD1 4.37Å; L1009-F1012 WeakPolarHBondContact O-CB 3.48Å; L1009-F1012 PolarHBondContact O-N 2.9Å; L1010-F1012 VanDerWaalsContact C-N 3.32Å; L1010-F1012 PolarHBondContact O-N 2.86Å; F1012-R1016 WeakPolarHBondContact O-CG 3.48Å; F1012-R1016 PolarHBondContact O-NH1 3.49Å
1013V89.1Confident86.8Confident0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-76.3-52.7-177.71700000111.5P837 L951 W960 V968 L1009 L1010 S1011 N1015 R1016 F1017P837-V1013 HydrophobicContact CB-CG1 3.95Å; P837-V1013 HydrophobicContact CB-CG2 3.8Å; L951-V1013 HydrophobicContact CD1-CG1 4.42Å; L951-V1013 HydrophobicContact CD2-CG1 4.21Å; W960-V1013 HydrophobicContact CH2-CG1 3.74Å; W960-V1013 HydrophobicContact CZ3-CG1 4.18Å; V968-V1013 HydrophobicContact CG2-CG2 3.96Å; L1009-V1013 HydrophobicContact CD1-CG2 3.91Å; L1009-V1013 HydrophobicContact CG-CG2 4.41Å; L1009-V1013 WeakPolarHBondContact O-CB 3.47Å; L1009-V1013 VanDerWaalsContact O-CG2 3.29Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; L1009-V1013 PolarHBondContact O-N 2.86Å; L1010-V1013 PolarHBondContact O-N 2.89Å; L1010-V1013 VanDerWaalsContact O-N 3.17Å; S1011-V1013 VanDerWaalsContact C-N 3.29Å; S1011-V1013 PolarHBondContact O-N 3.38Å; V1013-N1015 VanDerWaalsContact C-N 3.28Å; V1013-N1015 PolarHBondContact O-N 3.45Å; V1013-R1016 PolarHBondContact O-N 2.7Å; V1013-F1017 HydrophobicContact CB-CD2 4.35Å; V1013-F1017 HydrophobicContact CG1-CD2 3.99Å; V1013-F1017 WeakPolarHBondContact O-CD2 3.19Å; V1013-F1017 PolarHBondContact O-N 2.6Å
1014I86.2Confident86.8Confident74 Ų7462.2 Ų62.238%0.37932%0.322SS..Hα-helixtrans-58.3-41.1-178.4-69.2174.4000111.2L1010 R1016L1010-I1014 HydrophobicContact CD1-CD1 3.67Å; L1010-I1014 HydrophobicContact CD1-CG1 4.17Å; L1010-I1014 HydrophobicContact CG-CD1 3.87Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; L1010-I1014 PolarHBondContact O-N 3.1Å; I1014-R1016 PolarHBondContact O-N 2.07Å
1015N81.3Confident87.3Confident130 Ų13058.1 Ų58.170%0.69530%0.3SS*.THydrogen-bonded Turntrans-73.5-3.5179.4-70.4-52.8000114.6S1011 V1013S1011-N1015 VanDerWaalsContact O-CB 3.3Å; S1011-N1015 WeakPolarHBondContact O-CB 3.41Å; S1011-N1015 PolarHBondContact O-N 3.32Å; S1011-N1015 PolarHBondContact O-ND2 3.46Å; V1013-N1015 VanDerWaalsContact C-N 3.28Å; V1013-N1015 PolarHBondContact O-N 3.45Å
1016R76.3Confident87.8Confident112 Ų11255.1 Ų55.142%0.42329%0.286SS..THydrogen-bonded Turntrans-128.1-23.6-175.9-70.5-177.2175.476.96.4114.5F1012 V1013 I1014F1012-R1016 WeakPolarHBondContact O-CG 3.48Å; F1012-R1016 PolarHBondContact O-NH1 3.49Å; V1013-R1016 PolarHBondContact O-N 2.7Å; I1014-R1016 PolarHBondContact O-N 2.07Å
1017F79.7Confident88.1Confident26 Ų2658.4 Ų58.411%0.11429%0.291CS..SBendtrans-131.8141-174.9-52.8-71.2000111.4W960 A964 L967 V968 V1013 S1019W960-F1017 HydrophobicContact CZ3-CB 4.06Å; A964-F1017 HydrophobicContact CB-CD1 3.67Å; A964-F1017 HydrophobicContact CB-CD2 4.47Å; A964-F1017 HydrophobicContact CB-CE1 3.51Å; A964-F1017 HydrophobicContact CB-CE2 4.33Å; A964-F1017 HydrophobicContact CB-CG 4.16Å; A964-F1017 HydrophobicContact CB-CZ 3.84Å; L967-F1017 HydrophobicContact CB-CZ 4.01Å; L967-F1017 HydrophobicContact CD1-CE1 4.46Å; L967-F1017 HydrophobicContact CD1-CZ 4.16Å; L967-F1017 HydrophobicContact CD2-CE2 4.38Å; L967-F1017 HydrophobicContact CD2-CZ 3.84Å; L967-F1017 HydrophobicContact CG-CZ 4.21Å; V968-F1017 HydrophobicContact CG2-CE2 3.91Å; V968-F1017 HydrophobicContact CG2-CZ 4.49Å; V1013-F1017 HydrophobicContact CB-CD2 4.35Å; V1013-F1017 HydrophobicContact CG1-CD2 3.99Å; V1013-F1017 WeakPolarHBondContact O-CD2 3.19Å; V1013-F1017 PolarHBondContact O-N 2.6Å; F1017-S1019 PolarHBondContact O-N 3.35Å; F1017-S1019 PolarHBondContact O-OG 2.55Å
1018R76Confident88.3Confident107 Ų10757.4 Ų57.440%0.40428%0.283SS..  trans-60105.7168-71.2-169.5-160-162.72.8109.9H574 K760 E954H574-R1018 PolarHBondContact NE2-NH2 2.72Å; H574-R1018 VanDerWaalsContact NE2-NH2 3.12Å; K760-R1018 VanDerWaalsContact CE-NH1 3.29Å; E954-R1018 HydrophobicContact CB-CB 4.26Å; E954-R1018 HydrophobicContact CG-CB 4.14Å; E954-R1018 PolarHBondContact N-O 2.53Å; E954-R1018 WeakPolarHBondContact OE2-CB 3.33Å; E954-R1018 WeakPolarHBondContact OE2-CD 3.42Å
1019S85.9Confident88.3Confident18 Ų1855.4 Ų55.413%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-152.4152.6-171.655.40000110.2Q952 F1017Q952-S1019 CarbonylContact O-C 3.48Å; Q952-S1019 WeakPolarHBondContact O-CA 3.25Å; F1017-S1019 PolarHBondContact O-N 3.35Å; F1017-S1019 PolarHBondContact O-OG 2.55Å
1020H87.9Confident88.2Confident59 Ų5958.3 Ų58.327%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-128.2138.4-178.7171.764.9000108.6R763 Q952R763-H1020 VanDerWaalsContact CD-NE2 3.33Å; R763-H1020 WeakPolarHBondContact CD-NE2 3.45Å; R763-H1020 PolarHBondContact NE-CD2 3.08Å; R763-H1020 PolarHBondContact NE-NE2 2.85Å; Q952-H1020 HydrophobicContact CG-CB 4.42Å; Q952-H1020 PolarHBondContact N-O 3.02Å; Q952-H1020 PolarHBondContact O-N 2.93Å
1021Q90.5Very high88.1Confident73 Ų7359.7 Ų59.734%0.34130%0.302SS..EExtended strand (participates in β ladder)trans-103.1115.4172.5-172.4166.317.400108.5E1023Q1021-E1023 PolarHBondContact O-N 2.82Å
1022D90.4Very high88Confident18 Ų1857.7 Ų57.710%0.09629%0.287CS..  trans-88.2100177.3-173.5-20000109.4G950 Q952 C1024 C1025 K1028G950-D1022 PolarHBondContact O-N 2.82Å; Q952-D1022 VanDerWaalsContact NE2-CB 3.29Å; D1022-C1024 PolarHBondContact O-N 2.87Å; D1022-C1024 WeakPolarHBondContact OD1-CB 3.42Å; D1022-C1024 PolarHBondContact OD1-N 2.76Å; D1022-C1024 VanDerWaalsContact OD1-N 3.13Å; D1022-C1025 HydrophobicContact CB-CB 4.34Å; D1022-C1025 WeakPolarHBondContact O-CB 3.42Å; D1022-C1025 PolarHBondContact O-N 2.72Å; D1022-C1025 VanDerWaalsContact O-N 3.07Å; D1022-C1025 PolarHBondContact OD1-N 2.83Å; D1022-K1028 IonicContact OD1-NZ 3.4Å; D1022-K1028 IonicContact OD2-NZ 3.84Å; D1022-K1028 PolarHBondContact OD2-NZ 3.45Å
1023E89.9Confident88Confident181 Ų18158.6 Ų58.685%0.84629%0.294SS*.THydrogen-bonded Turntrans-61.7-27-179.4-60.4-175.216500112.4Q1021 C1025Q1021-E1023 PolarHBondContact O-N 2.82Å; E1023-C1025 VanDerWaalsContact C-N 3.27Å; E1023-C1025 PolarHBondContact O-N 3.41Å
1024C90.4Very high87.9Confident66 Ų6666 Ų6645%0.44633%0.33SS..THydrogen-bonded Turntrans-81.5-1.4177.7-63.60000113.3D1022 Q1026 L1027 K1028D1022-C1024 PolarHBondContact O-N 2.87Å; D1022-C1024 WeakPolarHBondContact OD1-CB 3.42Å; D1022-C1024 PolarHBondContact OD1-N 2.76Å; D1022-C1024 VanDerWaalsContact OD1-N 3.13Å; C1024-Q1026 VanDerWaalsContact C-N 3.29Å; C1024-Q1026 PolarHBondContact O-N 3.02Å; C1024-L1027 PolarHBondContact O-N 2.85Å; C1024-L1027 VanDerWaalsContact O-N 3.12Å; C1024-K1028 WeakPolarHBondContact O-CG 3.45Å; C1024-K1028 PolarHBondContact O-N 3.48Å; C1024-K1028 VanDerWaalsContact O-N 3.1Å
1025C93.8Very high87.7Confident0 Ų065.4 Ų65.40%033%0.333CS..Hα-helixtrans-56.8-37.2-176.2-174.70000113.6L949 G950 D1022 E1023 K1028 L1029L949-C1025 HydrophobicContact CD1-CB 4.12Å; L949-C1025 HydrophobicContact CG-CB 4.37Å; G950-C1025 VanDerWaalsContact CA-CB 3.49Å; G950-C1025 PolarHBondContact N-SG 3.47Å; D1022-C1025 HydrophobicContact CB-CB 4.34Å; D1022-C1025 WeakPolarHBondContact O-CB 3.42Å; D1022-C1025 PolarHBondContact O-N 2.72Å; D1022-C1025 VanDerWaalsContact O-N 3.07Å; D1022-C1025 PolarHBondContact OD1-N 2.83Å; E1023-C1025 VanDerWaalsContact C-N 3.27Å; E1023-C1025 PolarHBondContact O-N 3.41Å; C1025-K1028 PolarHBondContact O-N 3.38Å; C1025-L1029 WeakPolarHBondContact O-CG 3.26Å; C1025-L1029 PolarHBondContact O-N 3.01Å; C1025-L1029 VanDerWaalsContact O-N 3.1Å
1026Q93.1Very high87.6Confident39 Ų3960.6 Ų60.618%0.18231%0.309CS..Hα-helixtrans-65.9-46.7176.8-171.561.561.200110.9L949 S990 C1024 K1028 L1029 D1030L949-Q1026 HydrophobicContact CD1-CB 4.42Å; L949-Q1026 HydrophobicContact CD2-CB 4.07Å; S990-Q1026 PolarHBondContact OG-NE2 2.93Å; S990-Q1026 PolarHBondContact OG-OE1 3.32Å; C1024-Q1026 VanDerWaalsContact C-N 3.29Å; C1024-Q1026 PolarHBondContact O-N 3.02Å; Q1026-K1028 PolarHBondContact O-N 3.15Å; Q1026-L1029 PolarHBondContact O-N 2.71Å; Q1026-D1030 PolarHBondContact NE2-OD1 3.07Å; Q1026-D1030 PolarHBondContact O-N 3.25Å
1027L93.2Very high87.2Confident118 Ų11859.9 Ų59.962%0.61831%0.309SS*.Hα-helixtrans-59.1-36.7179.1-61174.3000112.1C1024 A1031C1024-L1027 PolarHBondContact O-N 2.85Å; C1024-L1027 VanDerWaalsContact O-N 3.12Å; L1027-A1031 VanDerWaalsContact O-CB 3.29Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.37Å
1028K93.1Very high86.2Confident57 Ų5766.3 Ų66.325%0.24835%0.345CS..Hα-helixtrans-67.6-42.7174.9-64.3173.7-178.4-179.70112.3F796 D798 D1022 C1024 C1025 Q1026 A1031 M1032F796-K1028 WeakPolarHBondContact O-CD 3.39Å; D798-K1028 HydrophobicContact CB-CD 4.39Å; D798-K1028 WeakPolarHBondContact OD2-CE 3.41Å; D798-K1028 IonicContact OD2-NZ 2.69Å; D798-K1028 PolarHBondContact OD2-NZ 2.86Å; D1022-K1028 IonicContact OD1-NZ 3.4Å; D1022-K1028 IonicContact OD2-NZ 3.84Å; D1022-K1028 PolarHBondContact OD2-NZ 3.45Å; C1024-K1028 WeakPolarHBondContact O-CG 3.45Å; C1024-K1028 PolarHBondContact O-N 3.48Å; C1024-K1028 VanDerWaalsContact O-N 3.1Å; C1025-K1028 PolarHBondContact O-N 3.38Å; Q1026-K1028 PolarHBondContact O-N 3.15Å; K1028-A1031 PolarHBondContact O-N 2.91Å; K1028-M1032 WeakPolarHBondContact O-CB 3.13Å; K1028-M1032 PolarHBondContact O-N 2.93Å
1029L92.4Very high86.7Confident0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-66.1-39.2176-71.3167.4000111.7L949 I992 F997 C1025 Q1026 M1032 V1033L949-L1029 HydrophobicContact CD1-CD1 3.81Å; I992-L1029 HydrophobicContact CD1-CB 3.81Å; F997-L1029 HydrophobicContact CD1-CD1 4.04Å; F997-L1029 HydrophobicContact CD2-CD1 4.49Å; F997-L1029 HydrophobicContact CE1-CD1 3.7Å; F997-L1029 HydrophobicContact CE2-CD1 4.19Å; F997-L1029 HydrophobicContact CG-CD1 4.42Å; F997-L1029 HydrophobicContact CZ-CD1 3.77Å; F997-L1029 HydrophobicContact CZ-CD2 4.17Å; C1025-L1029 WeakPolarHBondContact O-CG 3.26Å; C1025-L1029 PolarHBondContact O-N 3.01Å; C1025-L1029 VanDerWaalsContact O-N 3.1Å; Q1026-L1029 PolarHBondContact O-N 2.71Å; L1029-M1032 HydrophobicContact CD2-CE 3.94Å; L1029-M1032 WeakPolarHBondContact O-CB 3.29Å; L1029-M1032 PolarHBondContact O-N 2.71Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.5Å; L1029-V1033 PolarHBondContact O-N 3.44Å
1030D91.3Very high86.7Confident61 Ų6166.7 Ų66.733%0.32635%0.353SS..Hα-helixtrans-65.9-43.1175.6-60.8-23.1000110.8Q1026 V1033 M1034Q1026-D1030 PolarHBondContact NE2-OD1 3.07Å; Q1026-D1030 PolarHBondContact O-N 3.25Å; D1030-V1033 PolarHBondContact O-N 2.82Å; D1030-M1034 WeakPolarHBondContact O-CG 3.27Å; D1030-M1034 PolarHBondContact O-N 2.93Å
1031A89.8Confident86.7Confident48 Ų4867.2 Ų67.240%0.39736%0.358SS..Hα-helixtrans-61.7-43.4173.700000112.2L1027 K1028 V1033 M1034 S1035L1027-A1031 VanDerWaalsContact O-CB 3.29Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.37Å; K1028-A1031 PolarHBondContact O-N 2.91Å; A1031-V1033 VanDerWaalsContact C-N 3.34Å; A1031-V1033 PolarHBondContact O-N 2.84Å; A1031-M1034 PolarHBondContact O-N 3.1Å; A1031-S1035 WeakPolarHBondContact O-CB 3.04Å; A1031-S1035 PolarHBondContact O-N 3.19Å; A1031-S1035 PolarHBondContact O-OG 3.03Å
1032M89.1Confident86.4Confident8 Ų866.8 Ų66.84%0.03936%0.359CS..Hα-helixtrans-56.8-46.6173.3178-164.966.300111.2M793 M810 I992 K1028 L1029 S1035 S1036M793-M1032 HydrophobicContact CG-CG 4.28Å; M793-M1032 HydrophobicContact CG-SD 3.59Å; M793-M1032 VanDerWaalsContact CG-SD 3.59Å; M793-M1032 HydrophobicContact SD-CB 4.36Å; M793-M1032 HydrophobicContact SD-CG 3.97Å; M793-M1032 HydrophobicContact SD-SD 3.74Å; M810-M1032 HydrophobicContact CE-CE 3.53Å; M810-M1032 HydrophobicContact CE-SD 4.24Å; M810-M1032 HydrophobicContact SD-CE 4.17Å; I992-M1032 HydrophobicContact CG2-CE 4.3Å; K1028-M1032 WeakPolarHBondContact O-CB 3.13Å; K1028-M1032 PolarHBondContact O-N 2.93Å; L1029-M1032 HydrophobicContact CD2-CE 3.94Å; L1029-M1032 WeakPolarHBondContact O-CB 3.29Å; L1029-M1032 PolarHBondContact O-N 2.71Å; M1032-S1035 WeakPolarHBondContact CA-OG 3.19Å; M1032-S1035 PolarHBondContact O-N 2.99Å; M1032-S1035 PolarHBondContact O-OG 3Å; M1032-S1036 PolarHBondContact O-N 3.4Å
1033V88.6Confident86.2Confident35 Ų3569.9 Ų69.921%0.21238%0.375CS..Hα-helixtrans-61.4-46.4177.4160.10000111.9M810 V815 I992 L1029 D1030 A1031 S1035 S1036M810-V1033 HydrophobicContact SD-CG2 4.4Å; V815-V1033 HydrophobicContact CG1-CG1 3.63Å; V815-V1033 HydrophobicContact CG1-CG2 4.46Å; I992-V1033 HydrophobicContact CD1-CG2 4.12Å; I992-V1033 HydrophobicContact CG1-CG2 4.39Å; I992-V1033 HydrophobicContact CG2-CG2 3.61Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.5Å; L1029-V1033 PolarHBondContact O-N 3.44Å; D1030-V1033 PolarHBondContact O-N 2.82Å; A1031-V1033 VanDerWaalsContact C-N 3.34Å; A1031-V1033 PolarHBondContact O-N 2.84Å; V1033-S1035 PolarHBondContact O-N 2.86Å; V1033-S1036 WeakPolarHBondContact O-CB 3.44Å; V1033-S1036 PolarHBondContact O-N 2.98Å; V1033-S1036 PolarHBondContact O-OG 3.44Å
1034M86.6Confident85.9Confident155 Ų15562.5 Ų62.576%0.76434%0.344SS*.Hα-helixtrans-63.7-28.2176.5-69.8-174-6500113D1030 A1031 S1036D1030-M1034 WeakPolarHBondContact O-CG 3.27Å; D1030-M1034 PolarHBondContact O-N 2.93Å; A1031-M1034 PolarHBondContact O-N 3.1Å; M1034-S1036 VanDerWaalsContact C-N 3.3Å; M1034-S1036 PolarHBondContact O-N 3.08Å
1035S82.9Confident85.6Confident62 Ų6262.2 Ų62.243%0.43434%0.337SS..THydrogen-bonded Turntrans-85.37.9179.1740000115.1A1031 M1032 V1033A1031-S1035 WeakPolarHBondContact O-CB 3.04Å; A1031-S1035 PolarHBondContact O-N 3.19Å; A1031-S1035 PolarHBondContact O-OG 3.03Å; M1032-S1035 WeakPolarHBondContact CA-OG 3.19Å; M1032-S1035 PolarHBondContact O-N 2.99Å; M1032-S1035 PolarHBondContact O-OG 3Å; V1033-S1035 PolarHBondContact O-N 2.86Å
1036S79.8Confident85Confident30 Ų3067 Ų6721%0.2136%0.362CS..  trans-59.7140.2-17854.20000113.2M810 M1032 V1033 M1034M810-S1036 VanDerWaalsContact O-CA 3.24Å; M810-S1036 WeakPolarHBondContact O-CA 3.16Å; M810-S1036 WeakPolarHBondContact O-CB 3.29Å; M1032-S1036 PolarHBondContact O-N 3.4Å; V1033-S1036 WeakPolarHBondContact O-CB 3.44Å; V1033-S1036 PolarHBondContact O-N 2.98Å; V1033-S1036 PolarHBondContact O-OG 3.44Å; M1034-S1036 VanDerWaalsContact C-N 3.3Å; M1034-S1036 PolarHBondContact O-N 3.08Å
1037K67.3Low84.3Confident97 Ų9769.3 Ų69.342%0.42238%0.377SS..BIsolated β-bridgetrans-103.9153.6179.6-66.6-173.9-174.3-177.40111.1E780 V809 M810 W811 R812E780-K1037 IonicContact OE1-NZ 2.71Å; E780-K1037 PolarHBondContact OE1-NZ 2.92Å; V809-K1037 HydrophobicContact CG1-CB 4.05Å; V809-K1037 HydrophobicContact CG1-CD 3.96Å; V809-K1037 HydrophobicContact CG1-CG 3.75Å; M810-K1037 PolarHBondContact O-N 3Å; M810-K1037 VanDerWaalsContact O-N 3.12Å; W811-K1037 WeakPolarHBondContact CA-O 3.1Å; R812-K1037 PolarHBondContact N-O 3.29Å
1038D57.5Low83.5Confident161 Ų16164.9 Ų64.986%0.86136%0.356SS*.  trans-64.80169.8-81.7-58.4000111.9R812R812-D1038 WeakPolarHBondContact CD-OD1 3.24Å; R812-D1038 IonicContact CZ-OD1 3.97Å; R812-D1038 IonicContact CZ-OD2 3.54Å; R812-D1038 IonicContact NE-OD1 3.25Å; R812-D1038 PolarHBondContact NE-OD1 3.21Å; R812-D1038 IonicContact NE-OD2 3.18Å; R812-D1038 IonicContact NH1-OD1 2.95Å; R812-D1038 PolarHBondContact NH1-OD1 2.71Å; R812-D1038 IonicContact NH1-OD2 3.14Å; R812-D1038 PolarHBondContact NH1-OD2 3.12Å; R812-D1038 VanDerWaalsContact NH1-OD2 3.1Å; R812-D1038 IonicContact NH2-OD1 2.9Å; R812-D1038 IonicContact NH2-OD2 3.31Å; R812-D1038 PolarHBondContact NH2-OD2 3.35Å

Retrieved 1,038 of 1,038 residues in 814.2 ms (Link to these results)

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