G4VJ59_SCHMA Loading...

Ribosome maturation protein SBDS

AlphaFold DB , UniProt , Accession G4VJ59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M69.4Low76.8Confident244 Ų244150.1 Ų150.1100%1.20278%0.776SS**  0135.90-78.4167.8152.500108.5
2A77.7Confident76.5Confident101 Ų101146.3 Ų146.384%0.83576%0.757SS**  trans-74.2134.9165.200000108.7F4A2-F4 PolarHBondContact O-N 3.5Å
3L76.3Confident76.5Confident132 Ų132143.5 Ų143.569%0.69175%0.75SS**  trans-73.1124.9172.9-77.5162.7000108.8T5L3-T5 WeakPolarHBondContact CB-O 3.39Å; L3-T5 PolarHBondContact O-N 3.22Å
4F82.6Confident76.9Confident211 Ų211142.6 Ų142.693%0.92575%0.747SS**SBendtrans-70.8-23177.6-174.1-104.7000112.5A2A2-F4 PolarHBondContact O-N 3.5Å
5T82.2Confident77.6Confident93 Ų93135.4 Ų135.457%0.57171%0.709SS**SBendtrans-104.9143.9173.751.10000110.7L3L3-T5 WeakPolarHBondContact CB-O 3.39Å; L3-T5 PolarHBondContact O-N 3.22Å
6P79.8Confident78.5Confident117 Ų117127.1 Ų127.176%0.7667%0.665SS**  trans-62.9141.2171.927.8-34.3000109.8N8P6-N8 PolarHBondContact O-N 3.23Å
7T79.3Confident79.4Confident102 Ų102120.7 Ų120.763%0.62663%0.633SS**  trans-59.2104.5177.6-52.60000109.9Q9T7-Q9 HydrophobicContact CG2-CG 4.28Å; T7-Q9 PolarHBondContact O-N 3.09Å
8N76.1Confident80.3Confident154 Ų154114 Ų11482%0.82460%0.598SS**  trans-73.985.7-169.8-168-14.8000111.4P6P6-N8 PolarHBondContact O-N 3.23Å
9Q73.8Confident81.1Confident124 Ų124110.5 Ų110.558%0.57958%0.576SS**  trans-100.188.8174.2-66.5-174.68.800110.4T7 R11T7-Q9 HydrophobicContact CG2-CG 4.28Å; T7-Q9 PolarHBondContact O-N 3.09Å; Q9-R11 PolarHBondContact O-N 3.16Å; Q9-R11 VanDerWaalsContact OE1-NH2 3.17Å
10K73.3Confident81.8Confident201 Ų201106.3 Ų106.387%0.87455%0.554SS**  trans-70.898.5169.3-172.9179.5-178.5-178.40109.8
11R74.5Confident82.5Confident172 Ų172107.9 Ų107.965%0.64956%0.557SS**  trans-80.9141.8171.2-61.8-175.1-175.2176.93109.8Q9Q9-R11 PolarHBondContact O-N 3.16Å; Q9-R11 VanDerWaalsContact OE1-NH2 3.17Å
12L73.4Confident83.6Confident105 Ų10599.8 Ų99.855%0.5551%0.514SS..  trans-60.8135.1168.1-70.4172.7000109I15L12-I15 HydrophobicContact CB-CD1 3.37Å; L12-I15 HydrophobicContact CB-CG1 3.87Å; L12-I15 HydrophobicContact CD1-CD1 4.23Å; L12-I15 HydrophobicContact CG-CD1 4.45Å
13T75.7Confident84.1Confident109 Ų10997.4 Ų97.467%0.66950%0.5SS*.  trans-104.2152.6-179.253.90000110.8I15T13-I15 PolarHBondContact O-N 3.26Å
14N82.6Confident84.8Confident132 Ų13294.9 Ų94.971%0.70651%0.506SS*.SBendtrans49.558.3175.7-56-29.6000113.7P33N14-P33 WeakPolarHBondContact O-CD 3.38Å
15I88.2Confident85.3Confident34 Ų3487 Ų8717%0.17447%0.474CS..  trans-104.2138177.8-32.6170.9000109.1L12 T13 A30 C31 V60L12-I15 HydrophobicContact CB-CD1 3.37Å; L12-I15 HydrophobicContact CB-CG1 3.87Å; L12-I15 HydrophobicContact CD1-CD1 4.23Å; L12-I15 HydrophobicContact CG-CD1 4.45Å; T13-I15 PolarHBondContact O-N 3.26Å; I15-A30 HydrophobicContact CG2-CB 3.76Å; I15-C31 WeakPolarHBondContact CG2-O 3.45Å; I15-V60 HydrophobicContact CD1-CG1 3.83Å; I15-V60 HydrophobicContact CG2-CG1 4.46Å
16S91.6Very high85.8Confident2 Ų289 Ų891%0.01447%0.47CS..EExtended strand (participates in β ladder)trans-101.3131.2166.3-60.30000109C31 P33 E99S16-C31 PolarHBondContact N-O 2.94Å; S16-C31 WeakPolarHBondContact O-CA 3.42Å; S16-C31 WeakPolarHBondContact O-CB 3.27Å; S16-C31 PolarHBondContact O-N 3.43Å; S16-P33 WeakPolarHBondContact OG-CA 3.47Å; S16-E99 VanDerWaalsContact OG-CD 3.23Å; S16-E99 PolarHBondContact OG-OE1 3.09Å; S16-E99 PolarHBondContact OG-OE2 2.94Å; S16-E99 VanDerWaalsContact OG-OE2 3.05Å
17V93.7Very high86.6Confident19 Ų1983.5 Ų83.512%0.11544%0.435CS..EExtended strand (participates in β ladder)trans-104.3123-169.3179.20000110.2E28 L29 V60 Q94V17-E28 HydrophobicContact CG1-CB 3.9Å; V17-E28 HydrophobicContact CG1-CG 4.1Å; V17-L29 WeakPolarHBondContact CA-O 3.36Å; V17-V60 HydrophobicContact CG1-CB 4.43Å; V17-V60 HydrophobicContact CG1-CG2 4.15Å; V17-V60 HydrophobicContact CG2-CB 4.05Å; V17-V60 HydrophobicContact CG2-CG1 4.03Å; V17-V60 HydrophobicContact CG2-CG2 4.4Å; V17-Q94 HydrophobicContact CB-CB 4.18Å; V17-Q94 HydrophobicContact CB-CG 4.3Å; V17-Q94 HydrophobicContact CG1-CG 4.45Å; V17-Q94 WeakPolarHBondContact O-CA 3.43Å; V17-Q94 WeakPolarHBondContact O-CB 3.39Å; V17-Q94 VanDerWaalsContact O-CG 3.29Å; V17-Q94 WeakPolarHBondContact O-CG 3.31Å; V17-Q94 PolarHBondContact O-N 2.77Å
18V95.6Very high87.3Confident0 Ų078.8 Ų78.80%041%0.406CS..EExtended strand (participates in β ladder)trans-96.1122.8170-177.60000108.5E28 L29 V36 I87 L88 L93V18-E28 CarbonylContact O-C 3.53Å; V18-E28 VanDerWaalsContact O-CA 3.25Å; V18-E28 WeakPolarHBondContact O-CA 3.42Å; V18-L29 HydrophobicContact CB-CB 4.46Å; V18-L29 PolarHBondContact N-O 2.98Å; V18-L29 PolarHBondContact O-N 3.28Å; V18-V36 HydrophobicContact CG2-CB 4.43Å; V18-V36 HydrophobicContact CG2-CG1 3.67Å; V18-V36 HydrophobicContact CG2-CG2 3.88Å; V18-I87 HydrophobicContact CG1-CG2 4.16Å; V18-I87 VanDerWaalsContact CG1-O 3.3Å; V18-I87 WeakPolarHBondContact CG1-O 3.34Å; V18-L88 HydrophobicContact CG2-CD2 4.18Å; V18-L93 HydrophobicContact CG2-CD1 4.01Å
19R95.2Very high88.3Confident48 Ų4871.5 Ų71.518%0.18137%0.367CS..EExtended strand (participates in β ladder)trans-113.8125.9-177.1179-176.2-73.1143.28.1111.6Y27 E28 G91 E92 Q94R19-Y27 CarbonylContact C-O 3.55Å; R19-Y27 WeakPolarHBondContact CA-O 3.34Å; R19-E28 HydrophobicContact CB-CG 4.22Å; R19-E28 HydrophobicContact CG-CG 4.14Å; R19-E28 IonicContact CZ-OE1 2.7Å; R19-E28 IonicContact NE-OE1 3.82Å; R19-E28 PolarHBondContact NE-OE1 3.02Å; R19-E28 IonicContact NH2-OE1 2.91Å; R19-E28 PolarHBondContact NH2-OE1 3.31Å; R19-G91 CarbonylContact O-C 3.39Å; R19-G91 WeakPolarHBondContact O-CA 3.21Å; R19-E92 PolarHBondContact N-O 2.77Å; R19-E92 PolarHBondContact O-N 3.37Å; R19-Q94 HydrophobicContact CB-CG 4.33Å; R19-Q94 VanDerWaalsContact NH1-CD 3.31Å
20L95.9Very high89.2Confident25 Ų2565.6 Ų65.613%0.13134%0.339CS..EExtended strand (participates in β ladder)trans-113.9136.3165.5-174.963.5000110.1Y27 F75 I87 H90L20-Y27 PolarHBondContact N-O 2.78Å; L20-Y27 PolarHBondContact O-N 2.86Å; L20-F75 HydrophobicContact CD2-CE1 3.97Å; L20-F75 HydrophobicContact CD2-CZ 3.98Å; L20-I87 HydrophobicContact CB-CB 4.43Å; L20-I87 HydrophobicContact CB-CG1 4.14Å; L20-I87 HydrophobicContact CB-CG2 3.99Å; L20-I87 HydrophobicContact CD2-CG1 3.91Å; L20-H90 HydrophobicContact CD1-CB 4.14Å
21K94.9Very high90.2Very high141 Ų14156 Ų5661%0.61330%0.297SS*.EExtended strand (participates in β ladder)trans-104119.3170.2-69.7179.3-177.2166.60108.8N25 R26K21-N25 WeakPolarHBondContact CA-O 3.23Å; K21-R26 HydrophobicContact CG-CG 4.41Å
22K93.2Very high91Very high73 Ų7353 Ų5332%0.31729%0.287SS..EExtended strand (participates in β ladder)trans-138127.2-179.9-150.9176.6-169.9-166.90109.7G24 N25 Y27 H74 F75K22-G24 VanDerWaalsContact C-N 3.32Å; K22-G24 PolarHBondContact O-N 2.83Å; K22-N25 PolarHBondContact N-O 2.89Å; K22-N25 PolarHBondContact O-N 2.85Å; K22-N25 VanDerWaalsContact O-N 3.09Å; K22-Y27 HydrophobicContact CB-CD2 4.27Å; K22-Y27 HydrophobicContact CB-CE2 4.22Å; K22-H74 HydrophobicContact CB-CB 4.41Å; K22-H74 HydrophobicContact CD-CB 4.2Å; K22-H74 WeakPolarHBondContact CD-O 3.18Å; K22-H74 WeakPolarHBondContact CE-O 3.36Å; K22-H74 HydrophobicContact CG-CB 4.25Å; K22-H74 PolarHBondContact NZ-O 3.08Å; K22-F75 HydrophobicContact CD-CD1 4.24Å; K22-F75 HydrophobicContact CD-CE1 4.04Å; K22-F75 HydrophobicContact CD-CE2 4.39Å; K22-F75 HydrophobicContact CD-CZ 4.13Å
23G87.7Confident91.8Very high51 Ų5150.2 Ų50.253%0.52628%0.275SS..THydrogen-bonded Turntrans53.739.6178.500000115.8N25 H74G23-N25 PolarHBondContact O-N 3.35Å; G23-H74 VanDerWaalsContact CA-CE1 3.42Å; G23-H74 WeakPolarHBondContact CA-CE1 3.45Å; G23-H74 PolarHBondContact O-CE1 2.72Å
24G91.1Very high92.4Very high80 Ų8050.6 Ų50.683%0.82527%0.273SS*.THydrogen-bonded Turntrans86.7-26.8-178.400000114.4K22K22-G24 VanDerWaalsContact C-N 3.32Å; K22-G24 PolarHBondContact O-N 2.83Å
25N92.8Very high92.8Very high46 Ų4646.7 Ų46.725%0.24625%0.25CC..EExtended strand (participates in β ladder)trans-82.3158.4178.5-76.8-18.6000113.1K21 K22 G23 Y27 E70 H74K21-N25 WeakPolarHBondContact CA-O 3.23Å; K22-N25 PolarHBondContact N-O 2.89Å; K22-N25 PolarHBondContact O-N 2.85Å; K22-N25 VanDerWaalsContact O-N 3.09Å; G23-N25 PolarHBondContact O-N 3.35Å; N25-Y27 HydrophobicContact CB-CE2 3.69Å; N25-Y27 PolarHBondContact ND2-OH 2.8Å; N25-E70 PolarHBondContact ND2-OE2 3.3Å; N25-H74 PolarHBondContact ND2-NE2 2.97Å
26R94.1Very high93Very high133 Ų13345.1 Ų45.150%0.50224%0.242SC..EExtended strand (participates in β ladder)trans-109.2130.9174.9-53.4-176.7-168.5-173.65.4108.3K21 T58K21-R26 HydrophobicContact CG-CG 4.41Å; R26-T58 WeakPolarHBondContact O-CA 3.46Å
27Y95.5Very high92.9Very high2 Ų249.8 Ų49.81%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-118.7131.4173.4-61.5-77000107.7R19 L20 K22 N25 V56 F57 A66 M71 H74 F75R19-Y27 CarbonylContact C-O 3.55Å; R19-Y27 WeakPolarHBondContact CA-O 3.34Å; L20-Y27 PolarHBondContact N-O 2.78Å; L20-Y27 PolarHBondContact O-N 2.86Å; K22-Y27 HydrophobicContact CB-CD2 4.27Å; K22-Y27 HydrophobicContact CB-CE2 4.22Å; N25-Y27 HydrophobicContact CB-CE2 3.69Å; N25-Y27 PolarHBondContact ND2-OH 2.8Å; Y27-V56 HydrophobicContact CD1-CG1 3.76Å; Y27-V56 HydrophobicContact CG-CG1 4.32Å; Y27-F57 CarbonylContact C-O 3.55Å; Y27-F57 WeakPolarHBondContact CA-O 3.05Å; Y27-A66 HydrophobicContact CD1-CB 3.92Å; Y27-A66 HydrophobicContact CE1-CB 3.88Å; Y27-M71 HydrophobicContact CE1-CB 4.41Å; Y27-H74 PolarHBondContact OH-CD2 2.95Å; Y27-H74 VanDerWaalsContact OH-CD2 3.23Å; Y27-F75 HydrophobicContact CD1-CE2 4.27Å; Y27-F75 AromaticContact CD2-CE2 3.84Å; Y27-F75 HydrophobicContact CD2-CE2 3.84Å; Y27-F75 HydrophobicContact CD2-CZ 4.18Å; Y27-F75 HydrophobicContact CE1-CE2 4.4Å; Y27-F75 AromaticContact CE2-CE2 4Å; Y27-F75 HydrophobicContact CE2-CE2 4Å; Y27-F75 HydrophobicContact CG-CE2 4Å; Y27-F75 HydrophobicContact CG-CZ 4.32Å
28E95.6Very high92.8Very high3 Ų349.8 Ų49.81%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-133.3138.4-174.7-64.7-172.6168.100110V17 V18 R19 F57 N59 V60V17-E28 HydrophobicContact CG1-CB 3.9Å; V17-E28 HydrophobicContact CG1-CG 4.1Å; V18-E28 CarbonylContact O-C 3.53Å; V18-E28 VanDerWaalsContact O-CA 3.25Å; V18-E28 WeakPolarHBondContact O-CA 3.42Å; R19-E28 HydrophobicContact CB-CG 4.22Å; R19-E28 HydrophobicContact CG-CG 4.14Å; R19-E28 IonicContact CZ-OE1 2.7Å; R19-E28 IonicContact NE-OE1 3.82Å; R19-E28 PolarHBondContact NE-OE1 3.02Å; R19-E28 IonicContact NH2-OE1 2.91Å; R19-E28 PolarHBondContact NH2-OE1 3.31Å; E28-F57 PolarHBondContact N-O 2.89Å; E28-F57 WeakPolarHBondContact O-CB 3.38Å; E28-F57 PolarHBondContact O-N 2.86Å; E28-N59 VanDerWaalsContact OE2-CA 3.31Å; E28-N59 WeakPolarHBondContact OE2-CA 3.43Å; E28-V60 HydrophobicContact CB-CG2 3.68Å; E28-V60 PolarHBondContact OE2-N 3.42Å
29L95.4Very high92.7Very high1 Ų151.9 Ų51.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-112.4141.9174.1-62.1179.4000110.7V17 V18 L51 V56 I84 I87 L88V17-L29 WeakPolarHBondContact CA-O 3.36Å; V18-L29 HydrophobicContact CB-CB 4.46Å; V18-L29 PolarHBondContact N-O 2.98Å; V18-L29 PolarHBondContact O-N 3.28Å; L29-L51 HydrophobicContact CB-CD2 4.38Å; L29-L51 HydrophobicContact CD1-CD2 4.21Å; L29-V56 HydrophobicContact CD2-CB 4.48Å; L29-V56 HydrophobicContact CD2-CG1 4.47Å; L29-V56 HydrophobicContact CD2-CG2 4.11Å; L29-I84 HydrophobicContact CD1-CB 4.5Å; L29-I84 HydrophobicContact CD1-CG2 4.12Å; L29-I84 HydrophobicContact CD2-CG1 3.92Å; L29-I87 HydrophobicContact CD1-CB 3.84Å; L29-I87 HydrophobicContact CD1-CG2 3.68Å; L29-I87 HydrophobicContact CD2-CD1 4.39Å; L29-I87 HydrophobicContact CG-CB 4.25Å; L29-I87 HydrophobicContact CG-CG2 3.73Å; L29-L88 HydrophobicContact CD1-CD2 3.8Å; L29-L88 HydrophobicContact CD1-CG 3.75Å
30A94.2Very high92.5Very high0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-89.7103.3171.800000109.5I15 Q52 F57 V60I15-A30 HydrophobicContact CG2-CB 3.76Å; A30-Q52 HydrophobicContact CB-CB 4.37Å; A30-Q52 PolarHBondContact O-N 3.03Å; A30-F57 HydrophobicContact CB-CE2 4.2Å; A30-V60 HydrophobicContact CB-CG1 4.03Å; A30-V60 HydrophobicContact CB-CG2 4.37Å
31C93.5Very high92.2Very high0 Ų058.8 Ų58.80%031%0.307CS..EExtended strand (participates in β ladder)trans-109.8156.5-178.7-52.20000111.3I15 S16 V36 V50I15-C31 WeakPolarHBondContact CG2-O 3.45Å; S16-C31 PolarHBondContact N-O 2.94Å; S16-C31 WeakPolarHBondContact O-CA 3.42Å; S16-C31 WeakPolarHBondContact O-CB 3.27Å; S16-C31 PolarHBondContact O-N 3.43Å; C31-V36 HydrophobicContact CB-CG2 3.37Å; C31-V50 CarbonylContact C-O 3.46Å; C31-V50 WeakPolarHBondContact CA-O 3.5Å; C31-V50 WeakPolarHBondContact CB-O 3.35Å
32Y92.1Very high92.1Very high108 Ų10860.5 Ų60.542%0.42432%0.315SS..  trans-68.6145.9166.2-74.9-76.9000110.9E49 V50 L51 Q52Y32-E49 WeakPolarHBondContact CD2-O 3.27Å; Y32-V50 PolarHBondContact N-O 3.36Å; Y32-L51 WeakPolarHBondContact CE2-O 3.47Å; Y32-Q52 HydrophobicContact CD1-CG 4.02Å; Y32-Q52 HydrophobicContact CD2-CG 3.94Å; Y32-Q52 HydrophobicContact CE1-CG 3.9Å; Y32-Q52 HydrophobicContact CE2-CB 4.46Å; Y32-Q52 HydrophobicContact CE2-CG 3.82Å; Y32-Q52 HydrophobicContact CG-CG 4.04Å
33P89.3Confident91.9Very high48 Ų4863.9 Ų63.931%0.31234%0.335SS..THydrogen-bonded Turntrans-63.3150.6176.827.2-34.5000111.3N14 S16 K35 E99N14-P33 WeakPolarHBondContact O-CD 3.38Å; S16-P33 WeakPolarHBondContact OG-CA 3.47Å; P33-K35 PolarHBondContact O-N 3.37Å; P33-E99 WeakPolarHBondContact CA-OE1 3.42Å; P33-E99 WeakPolarHBondContact CB-OE1 2.94Å
34N88Confident91.6Very high116 Ų11663.5 Ų63.562%0.6232%0.32SS*.THydrogen-bonded Turntrans59.9-28.7-173.3-54.2-33.9000117V36 Q37 E99N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.23Å; N34-Q37 PolarHBondContact O-N 3.09Å; N34-E99 PolarHBondContact N-OE1 3.23Å
35K91.6Very high91.3Very high50 Ų5065 Ų6522%0.21731%0.314CS..Hα-helixtrans-60.4-34.1-176.9-75.8-77.2-164.9172.90114.4P33 Q37 A38 W39 E44 E49 V50P33-K35 PolarHBondContact O-N 3.37Å; K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.03Å; K35-A38 PolarHBondContact O-N 3.38Å; K35-W39 PolarHBondContact O-N 2.63Å; K35-E44 WeakPolarHBondContact CD-OE1 3.36Å; K35-E44 WeakPolarHBondContact CD-OE2 3.44Å; K35-E44 WeakPolarHBondContact CE-OE2 3.41Å; K35-E44 IonicContact NZ-OE1 2.61Å; K35-E44 PolarHBondContact NZ-OE1 3.4Å; K35-E44 IonicContact NZ-OE2 3.21Å; K35-E44 PolarHBondContact NZ-OE2 2.89Å; K35-E49 IonicContact NZ-OE2 3.66Å; K35-E49 PolarHBondContact NZ-OE2 3.03Å; K35-V50 HydrophobicContact CB-CG1 4.44Å
36V91.6Very high91.2Very high2 Ų267 Ų671%0.01232%0.324CS..Hα-helixtrans-62.8-32.9-178.8-176.90000112.9V18 C31 N34 R40 V50 L93V18-V36 HydrophobicContact CG2-CB 4.43Å; V18-V36 HydrophobicContact CG2-CG1 3.67Å; V18-V36 HydrophobicContact CG2-CG2 3.88Å; C31-V36 HydrophobicContact CB-CG2 3.37Å; N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.23Å; V36-R40 WeakPolarHBondContact O-CG 3.48Å; V36-R40 PolarHBondContact O-N 3.48Å; V36-V50 HydrophobicContact CG2-CG1 4.38Å; V36-L93 HydrophobicContact CB-CD1 4.14Å; V36-L93 HydrophobicContact CB-CD2 4.19Å; V36-L93 HydrophobicContact CG1-CD1 4.14Å; V36-L93 HydrophobicContact CG1-CD2 4.19Å; V36-L93 HydrophobicContact CG2-CD1 4.15Å
37Q89.4Confident91.1Very high99 Ų9961.7 Ų61.746%0.46331%0.305SS..Hα-helixtrans-72.6-48.3177.6-70.9-179.5-15.500110.5N34 K35 W39 R40 D41 L93N34-Q37 PolarHBondContact O-N 3.09Å; K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.03Å; Q37-W39 PolarHBondContact O-N 2.92Å; Q37-R40 WeakPolarHBondContact O-CB 3.49Å; Q37-R40 PolarHBondContact O-N 3.46Å; Q37-D41 PolarHBondContact O-N 3.07Å; Q37-L93 HydrophobicContact CG-CD2 4.09Å
38A91.5Very high90.9Very high19 Ų1967.1 Ų67.116%0.15734%0.335CS..Hα-helixtrans-55.9-36.5176.100000113.3K35 K42 L43 E44K35-A38 PolarHBondContact O-N 3.38Å; A38-K42 PolarHBondContact O-N 2.84Å; A38-L43 HydrophobicContact CB-CB 4.45Å; A38-L43 WeakPolarHBondContact O-CB 3.49Å; A38-L43 PolarHBondContact O-N 2.76Å; A38-E44 HydrophobicContact CB-CG 4.18Å; A38-E44 PolarHBondContact O-N 2.74Å
39W93.3Very high90.7Very high44 Ų4471 Ų7117%0.16735%0.353CS..Hα-helixtrans-67-40.5173.8-172.383.2000113K35 Q37 D41 K42 L47 V50 Q85 L88 E89K35-W39 PolarHBondContact O-N 2.63Å; Q37-W39 PolarHBondContact O-N 2.92Å; W39-D41 VanDerWaalsContact C-N 3.34Å; W39-K42 WeakPolarHBondContact O-CA 3.47Å; W39-K42 PolarHBondContact O-N 3.46Å; W39-L47 HydrophobicContact CZ2-CD2 4.19Å; W39-V50 HydrophobicContact CB-CG1 4.37Å; W39-V50 HydrophobicContact CB-CG2 3.91Å; W39-V50 HydrophobicContact CG-CG2 4.08Å; W39-Q85 HydrophobicContact CZ2-CG 4.46Å; W39-L88 HydrophobicContact CD2-CB 4.44Å; W39-L88 HydrophobicContact CD2-CD1 4.2Å; W39-L88 HydrophobicContact CE3-CB 3.8Å; W39-L88 HydrophobicContact CE3-CD1 4.37Å; W39-L88 HydrophobicContact CH2-CB 3.71Å; W39-L88 HydrophobicContact CH2-CD1 4.33Å; W39-L88 HydrophobicContact CZ2-CB 4.35Å; W39-L88 HydrophobicContact CZ2-CD1 4.15Å; W39-L88 HydrophobicContact CZ3-CB 3.4Å; W39-L88 HydrophobicContact CZ3-CD1 4.45Å; W39-E89 HydrophobicContact CH2-CB 4.49Å; W39-E89 HydrophobicContact CZ3-CB 4.31Å
40R91.1Very high90.5Very high90 Ų9071 Ų7134%0.3435%0.353SS..Hα-helixtrans-67.3-35.5176.1-73.5174.9175.7-154.6-6.5112.6V36 Q37 K42 L88 G91V36-R40 WeakPolarHBondContact O-CG 3.48Å; V36-R40 PolarHBondContact O-N 3.48Å; Q37-R40 WeakPolarHBondContact O-CB 3.49Å; Q37-R40 PolarHBondContact O-N 3.46Å; R40-K42 PolarHBondContact O-N 3.49Å; R40-L88 PolarHBondContact NE-O 3.07Å; R40-L88 VanDerWaalsContact NE-O 3.08Å; R40-L88 PolarHBondContact NH2-O 3.19Å; R40-G91 PolarHBondContact NH2-O 3.14Å
41D91.5Very high90.5Very high129 Ų12971.2 Ų71.269%0.6935%0.354SS*.THydrogen-bonded Turntrans-75.5-0.3173-59.5-29.6000112.3Q37 W39 L43Q37-D41 PolarHBondContact O-N 3.07Å; W39-D41 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 2.81Å
42K90.9Very high90.4Very high177 Ų17773.3 Ų73.377%0.7736%0.364SS*.THydrogen-bonded Turntrans59.821.5-179.6-52.9179.9-177.2178.80114.3A38 W39 R40A38-K42 PolarHBondContact O-N 2.84Å; W39-K42 WeakPolarHBondContact O-CA 3.47Å; W39-K42 PolarHBondContact O-N 3.46Å; R40-K42 PolarHBondContact O-N 3.49Å
43L89Confident90.3Very high143 Ų14369.5 Ų69.575%0.74935%0.354SS*.SBendtrans-72.7-33.1174.7-170.168.8000111.2A38 D41A38-L43 HydrophobicContact CB-CB 4.45Å; A38-L43 WeakPolarHBondContact O-CB 3.49Å; A38-L43 PolarHBondContact O-N 2.76Å; D41-L43 PolarHBondContact O-N 2.81Å
44E82Confident90.4Very high43 Ų4371.1 Ų71.120%0.20136%0.358CS..  trans-119.7127.2176.8-62.3-176-175.900110.3K35 A38K35-E44 WeakPolarHBondContact CD-OE1 3.36Å; K35-E44 WeakPolarHBondContact CD-OE2 3.44Å; K35-E44 WeakPolarHBondContact CE-OE2 3.41Å; K35-E44 IonicContact NZ-OE1 2.61Å; K35-E44 PolarHBondContact NZ-OE1 3.4Å; K35-E44 IonicContact NZ-OE2 3.21Å; K35-E44 PolarHBondContact NZ-OE2 2.89Å; A38-E44 HydrophobicContact CB-CG 4.18Å; A38-E44 PolarHBondContact O-N 2.74Å
45T85.9Confident90.6Very high113 Ų11367.7 Ų67.769%0.69334%0.343SS*.  trans-100.4-24.1-178.750.30000113.3L47T45-L47 PolarHBondContact O-N 2.7Å
46N90.7Very high90.8Very high86 Ų8665.8 Ų65.846%0.4634%0.335SS..  trans-75115.6-175.5-63.7-29.9000111.5D48 E49N46-D48 VanDerWaalsContact C-N 3.26Å; N46-D48 PolarHBondContact O-N 2.77Å; N46-E49 HydrophobicContact CB-CB 4.43Å; N46-E49 HydrophobicContact CB-CG 4.08Å; N46-E49 PolarHBondContact ND2-OE1 2.89Å; N46-E49 PolarHBondContact O-N 2.94Å
47L90.9Very high90.9Very high22 Ų2266.5 Ų66.512%0.11534%0.338CS..Hα-helixtrans-63.8-33.2176.7-67.9176.8000112.5W39 T45 E49 V50 L51 Q85 L88W39-L47 HydrophobicContact CZ2-CD2 4.19Å; T45-L47 PolarHBondContact O-N 2.7Å; L47-E49 PolarHBondContact O-N 3.18Å; L47-V50 PolarHBondContact O-N 3.1Å; L47-V50 VanDerWaalsContact O-N 3.11Å; L47-L51 HydrophobicContact CB-CD1 4.06Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.15Å; L47-Q85 HydrophobicContact CD1-CG 4.08Å; L47-Q85 HydrophobicContact CD2-CG 4.23Å; L47-L88 HydrophobicContact CD2-CD1 3.77Å
48D91.3Very high91.2Very high117 Ų11764.4 Ų64.463%0.62633%0.332SS*.Hα-helixtrans-65.8-25.3-176.4-53.211.6000112.3N46 H54N46-D48 VanDerWaalsContact C-N 3.26Å; N46-D48 PolarHBondContact O-N 2.77Å; D48-H54 IonicContact OD1-CE1 3.15Å; D48-H54 PolarHBondContact OD1-CE1 3.41Å; D48-H54 IonicContact OD1-NE2 2.7Å
49E90.9Very high91.2Very high84 Ų8465.3 Ų65.339%0.39333%0.334SS..Hα-helixtrans-83.5-23174.6-68.8-175.5-128.300113.5Y32 K35 N46 L47Y32-E49 WeakPolarHBondContact CD2-O 3.27Å; K35-E49 IonicContact NZ-OE2 3.66Å; K35-E49 PolarHBondContact NZ-OE2 3.03Å; N46-E49 HydrophobicContact CB-CB 4.43Å; N46-E49 HydrophobicContact CB-CG 4.08Å; N46-E49 PolarHBondContact ND2-OE1 2.89Å; N46-E49 PolarHBondContact O-N 2.94Å; L47-E49 PolarHBondContact O-N 3.18Å
50V92.7Very high91.2Very high0 Ų063.9 Ų63.90%033%0.33CS..Hα-helixtrans-91.1-33.5-176-179.70000110.9C31 Y32 K35 V36 W39 L47 L88C31-V50 CarbonylContact C-O 3.46Å; C31-V50 WeakPolarHBondContact CA-O 3.5Å; C31-V50 WeakPolarHBondContact CB-O 3.35Å; Y32-V50 PolarHBondContact N-O 3.36Å; K35-V50 HydrophobicContact CB-CG1 4.44Å; V36-V50 HydrophobicContact CG2-CG1 4.38Å; W39-V50 HydrophobicContact CB-CG1 4.37Å; W39-V50 HydrophobicContact CB-CG2 3.91Å; W39-V50 HydrophobicContact CG-CG2 4.08Å; L47-V50 PolarHBondContact O-N 3.1Å; L47-V50 VanDerWaalsContact O-N 3.11Å; V50-L88 HydrophobicContact CG1-CD2 4.41Å
51L93.3Very high91Very high5 Ų564 Ų643%0.02635%0.345CS..BIsolated β-bridgetrans-102.4138.3-172.8-59.9166.5000111.5L29 Y32 L47 I84 L88L29-L51 HydrophobicContact CB-CD2 4.38Å; L29-L51 HydrophobicContact CD1-CD2 4.21Å; Y32-L51 WeakPolarHBondContact CE2-O 3.47Å; L47-L51 HydrophobicContact CB-CD1 4.06Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.15Å; L51-I84 HydrophobicContact CD1-CG2 3.48Å; L51-I84 VanDerWaalsContact CD1-CG2 3.48Å; L51-I84 HydrophobicContact CD2-CG2 4.28Å; L51-I84 HydrophobicContact CG-CG2 4.49Å; L51-L88 HydrophobicContact CD2-CD1 4.42Å; L51-L88 HydrophobicContact CD2-CD2 4.32Å
52Q91.6Very high90.8Very high45 Ų4564.9 Ų64.921%0.2134%0.343CS..SBendtrans-80.9-21.8169.3-64.3-169.4-4.600112.5A30 Y32A30-Q52 HydrophobicContact CB-CB 4.37Å; A30-Q52 PolarHBondContact O-N 3.03Å; Y32-Q52 HydrophobicContact CD1-CG 4.02Å; Y32-Q52 HydrophobicContact CD2-CG 3.94Å; Y32-Q52 HydrophobicContact CE1-CG 3.9Å; Y32-Q52 HydrophobicContact CE2-CB 4.46Å; Y32-Q52 HydrophobicContact CE2-CG 3.82Å; Y32-Q52 HydrophobicContact CG-CG 4.04Å
53A90.9Very high90.8Very high27 Ų2758.4 Ų58.422%0.22333%0.326CS..  trans-155.1138.9177.900000110.4C55A53-C55 PolarHBondContact O-N 3.15Å
54H91.5Very high90.9Very high82 Ų8256.4 Ų56.438%0.3831%0.313SS..SBendtrans-8044177.5-62-83.4000112.7D48D48-H54 IonicContact OD1-CE1 3.15Å; D48-H54 PolarHBondContact OD1-CE1 3.41Å; D48-H54 IonicContact OD1-NE2 2.7Å
55C91.9Very high91.5Very high45 Ų4560.8 Ų60.830%0.30433%0.331SS..  trans-131.4144.7-177-60.40000110.9A53 F57 F65A53-C55 PolarHBondContact O-N 3.15Å; C55-F57 HydrophobicContact CB-CE2 4.21Å; C55-F57 HydrophobicContact CB-CZ 4.18Å; C55-F57 WeakPolarHBondContact O-CD2 3.5Å; C55-F57 WeakPolarHBondContact O-CE2 3.44Å; C55-F65 HydrophobicContact CB-CD1 4.01Å; C55-F65 HydrophobicContact CB-CE1 3.74Å
56V94.6Very high91.9Very high10 Ų1056 Ų566%0.06130%0.304CS..  trans-93.1130.6173.3-169.80000110Y27 L29 A66 M71 I83 I84 I87Y27-V56 HydrophobicContact CD1-CG1 3.76Å; Y27-V56 HydrophobicContact CG-CG1 4.32Å; L29-V56 HydrophobicContact CD2-CB 4.48Å; L29-V56 HydrophobicContact CD2-CG1 4.47Å; L29-V56 HydrophobicContact CD2-CG2 4.11Å; V56-A66 HydrophobicContact CB-CB 4.23Å; V56-A66 HydrophobicContact CG1-CB 4.09Å; V56-A66 WeakPolarHBondContact O-CB 3.3Å; V56-A66 PolarHBondContact O-N 3.29Å; V56-M71 HydrophobicContact CB-SD 4.13Å; V56-M71 HydrophobicContact CG2-SD 3.99Å; V56-I83 HydrophobicContact CG2-CG2 4.06Å; V56-I84 HydrophobicContact CG2-CG1 4.1Å; V56-I87 HydrophobicContact CG1-CD1 3.77Å; V56-I87 HydrophobicContact CG2-CD1 4.2Å
57F94.5Very high92Very high17 Ų1755.5 Ų55.58%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-106.6150.2178.9-60.3-87.5000111.2Y27 E28 A30 C55 V60 Q64 F65Y27-F57 CarbonylContact C-O 3.55Å; Y27-F57 WeakPolarHBondContact CA-O 3.05Å; E28-F57 PolarHBondContact N-O 2.89Å; E28-F57 WeakPolarHBondContact O-CB 3.38Å; E28-F57 PolarHBondContact O-N 2.86Å; A30-F57 HydrophobicContact CB-CE2 4.2Å; C55-F57 HydrophobicContact CB-CE2 4.21Å; C55-F57 HydrophobicContact CB-CZ 4.18Å; C55-F57 WeakPolarHBondContact O-CD2 3.5Å; C55-F57 WeakPolarHBondContact O-CE2 3.44Å; F57-V60 HydrophobicContact CB-CG2 3.89Å; F57-V60 HydrophobicContact CD2-CG2 3.84Å; F57-V60 HydrophobicContact CG-CG2 4.03Å; F57-Q64 CarbonylContact C-O 3.52Å; F57-Q64 VanDerWaalsContact CA-O 3.27Å; F57-Q64 WeakPolarHBondContact CA-O 3.41Å; F57-Q64 WeakPolarHBondContact CB-O 3.4Å; F57-F65 AromaticContact CD1-CD1 3.94Å; F57-F65 HydrophobicContact CD1-CD1 3.94Å; F57-F65 HydrophobicContact CD1-CE1 4.14Å; F57-F65 AromaticContact CE1-CD1 3.65Å; F57-F65 HydrophobicContact CE1-CD1 3.65Å; F57-F65 AromaticContact CE1-CE1 3.36Å; F57-F65 HydrophobicContact CE1-CE1 3.36Å; F57-F65 HydrophobicContact CE1-CG 4.45Å; F57-F65 AromaticContact CE1-CZ 3.98Å; F57-F65 HydrophobicContact CE1-CZ 3.98Å; F57-F65 HydrophobicContact CZ-CD1 4.29Å; F57-F65 AromaticContact CZ-CE1 3.77Å; F57-F65 HydrophobicContact CZ-CE1 3.77Å
58T94.9Very high92.1Very high54 Ų5461 Ų6133%0.33132%0.324SS..EExtended strand (participates in β ladder)trans-79.7-30.5161.5-55.50000110.7R26 Q64 A66R26-T58 WeakPolarHBondContact O-CA 3.46Å; T58-Q64 PolarHBondContact N-O 2.74Å; T58-A66 WeakPolarHBondContact OG1-CA 3.21Å
59N92.6Very high92.2Very high38 Ų3863.5 Ų63.520%0.20333%0.329CS..EExtended strand (participates in β ladder)trans-151.8111.9174.2-171.1-78.5000110.8E28 S61 K62 G63 Q64E28-N59 VanDerWaalsContact OE2-CA 3.31Å; E28-N59 WeakPolarHBondContact OE2-CA 3.43Å; N59-S61 WeakPolarHBondContact OD1-CB 3.27Å; N59-S61 PolarHBondContact OD1-N 2.81Å; N59-K62 HydrophobicContact CB-CB 4.24Å; N59-K62 HydrophobicContact CB-CD 4.43Å; N59-K62 PolarHBondContact O-N 3.06Å; N59-K62 WeakPolarHBondContact OD1-CB 3.2Å; N59-K62 WeakPolarHBondContact OD1-CG 3.38Å; N59-K62 PolarHBondContact OD1-N 2.97Å; N59-G63 PolarHBondContact O-N 3.39Å; N59-G63 VanDerWaalsContact O-N 3.15Å; N59-Q64 HydrophobicContact CB-CB 4.49Å; N59-Q64 PolarHBondContact N-O 3.02Å; N59-Q64 PolarHBondContact O-N 2.95Å; N59-Q64 VanDerWaalsContact O-N 3.1Å
60V91.6Very high92.2Very high15 Ų1562.7 Ų62.79%0.09133%0.325CS..G310 helixtrans-65.3-42-179.1171.10000111.2I15 V17 E28 A30 F57 K62 G63I15-V60 HydrophobicContact CD1-CG1 3.83Å; I15-V60 HydrophobicContact CG2-CG1 4.46Å; V17-V60 HydrophobicContact CG1-CB 4.43Å; V17-V60 HydrophobicContact CG1-CG2 4.15Å; V17-V60 HydrophobicContact CG2-CB 4.05Å; V17-V60 HydrophobicContact CG2-CG1 4.03Å; V17-V60 HydrophobicContact CG2-CG2 4.4Å; E28-V60 HydrophobicContact CB-CG2 3.68Å; E28-V60 PolarHBondContact OE2-N 3.42Å; A30-V60 HydrophobicContact CB-CG1 4.03Å; A30-V60 HydrophobicContact CB-CG2 4.37Å; F57-V60 HydrophobicContact CB-CG2 3.89Å; F57-V60 HydrophobicContact CD2-CG2 3.84Å; F57-V60 HydrophobicContact CG-CG2 4.03Å; V60-K62 PolarHBondContact O-N 3.41Å; V60-K62 VanDerWaalsContact O-N 3.15Å; V60-G63 PolarHBondContact O-N 3.16Å
61S87.6Confident92.1Very high91 Ų9163.1 Ų63.164%0.63633%0.327SS*.G310 helixtrans-63-23.4-178.4-470000114.2N59N59-S61 WeakPolarHBondContact OD1-CB 3.27Å; N59-S61 PolarHBondContact OD1-N 2.81Å
62K88.5Confident92Very high149 Ų14968.6 Ų68.665%0.64835%0.349SS*.G310 helixtrans-101.4-6.3175.7-65.8179.5-179.9-175.10113.6N59 V60 Q64N59-K62 HydrophobicContact CB-CB 4.24Å; N59-K62 HydrophobicContact CB-CD 4.43Å; N59-K62 PolarHBondContact O-N 3.06Å; N59-K62 WeakPolarHBondContact OD1-CB 3.2Å; N59-K62 WeakPolarHBondContact OD1-CG 3.38Å; N59-K62 PolarHBondContact OD1-N 2.97Å; V60-K62 PolarHBondContact O-N 3.41Å; V60-K62 VanDerWaalsContact O-N 3.15Å; K62-Q64 HydrophobicContact CB-CG 3.87Å; K62-Q64 PolarHBondContact O-N 3.34Å
63G89.3Confident92Very high41 Ų4171.1 Ų71.142%0.42337%0.367SS..THydrogen-bonded Turntrans62.926.3-172.900000114N59 V60 F65N59-G63 PolarHBondContact O-N 3.39Å; N59-G63 VanDerWaalsContact O-N 3.15Å; V60-G63 PolarHBondContact O-N 3.16Å; G63-F65 PolarHBondContact O-N 3.42Å
64Q92.5Very high92.1Very high100 Ų10072.8 Ų72.847%0.46737%0.37SS..EExtended strand (participates in β ladder)trans-85.4111.4-178-72.8-179-40.500110.1F57 T58 N59 K62F57-Q64 CarbonylContact C-O 3.52Å; F57-Q64 VanDerWaalsContact CA-O 3.27Å; F57-Q64 WeakPolarHBondContact CA-O 3.41Å; F57-Q64 WeakPolarHBondContact CB-O 3.4Å; T58-Q64 PolarHBondContact N-O 2.74Å; N59-Q64 HydrophobicContact CB-CB 4.49Å; N59-Q64 PolarHBondContact N-O 3.02Å; N59-Q64 PolarHBondContact O-N 2.95Å; N59-Q64 VanDerWaalsContact O-N 3.1Å; K62-Q64 HydrophobicContact CB-CG 3.87Å; K62-Q64 PolarHBondContact O-N 3.34Å
65F94Very high92.1Very high135 Ų13569.7 Ų69.759%0.59236%0.356SS*.EExtended strand (participates in β ladder)trans-65.2148.9175.8-64.1-71.8000112.5C55 F57 G63C55-F65 HydrophobicContact CB-CD1 4.01Å; C55-F65 HydrophobicContact CB-CE1 3.74Å; F57-F65 AromaticContact CD1-CD1 3.94Å; F57-F65 HydrophobicContact CD1-CD1 3.94Å; F57-F65 HydrophobicContact CD1-CE1 4.14Å; F57-F65 AromaticContact CE1-CD1 3.65Å; F57-F65 HydrophobicContact CE1-CD1 3.65Å; F57-F65 AromaticContact CE1-CE1 3.36Å; F57-F65 HydrophobicContact CE1-CE1 3.36Å; F57-F65 HydrophobicContact CE1-CG 4.45Å; F57-F65 AromaticContact CE1-CZ 3.98Å; F57-F65 HydrophobicContact CE1-CZ 3.98Å; F57-F65 HydrophobicContact CZ-CD1 4.29Å; F57-F65 AromaticContact CZ-CE1 3.77Å; F57-F65 HydrophobicContact CZ-CE1 3.77Å; G63-F65 PolarHBondContact O-N 3.42Å
66A94Very high92Very high14 Ų1478.1 Ų78.112%0.11638%0.381CS..PPolyproline II helixtrans-73141.617300000111.5Y27 V56 T58 K68Y27-A66 HydrophobicContact CD1-CB 3.92Å; Y27-A66 HydrophobicContact CE1-CB 3.88Å; V56-A66 HydrophobicContact CB-CB 4.23Å; V56-A66 HydrophobicContact CG1-CB 4.09Å; V56-A66 WeakPolarHBondContact O-CB 3.3Å; V56-A66 PolarHBondContact O-N 3.29Å; T58-A66 WeakPolarHBondContact OG1-CA 3.21Å; A66-K68 PolarHBondContact O-N 2.89Å
67N93.7Very high91.9Very high75 Ų7579.3 Ų79.340%0.40139%0.388SS..PPolyproline II helixtrans-73.7120.2177.8-174.64.2000110.3K69 E70 M71N67-K69 PolarHBondContact O-N 3.42Å; N67-K69 VanDerWaalsContact O-N 3.16Å; N67-E70 HydrophobicContact CB-CB 4.43Å; N67-E70 HydrophobicContact CB-CG 4.27Å; N67-E70 WeakPolarHBondContact CB-OE1 3.49Å; N67-E70 PolarHBondContact ND2-OE1 2.86Å; N67-E70 PolarHBondContact O-N 2.89Å; N67-E70 VanDerWaalsContact O-N 3.09Å; N67-M71 PolarHBondContact O-N 3.4Å
68K92.3Very high91.6Very high138 Ų13885.4 Ų85.460%0.642%0.417SS*.Hα-helixtrans-56.6-35.3-175.1-59-158.8-175.2-149.80112.9A66 M71 Y72 E80A66-K68 PolarHBondContact O-N 2.89Å; K68-M71 PolarHBondContact O-N 2.92Å; K68-Y72 PolarHBondContact O-N 3.24Å; K68-E80 VanDerWaalsContact CE-OE1 3.27Å; K68-E80 WeakPolarHBondContact CE-OE1 3.43Å; K68-E80 IonicContact NZ-OE1 2.63Å; K68-E80 PolarHBondContact NZ-OE1 2.91Å
69K92.5Very high91.5Very high169 Ų16987.1 Ų87.174%0.73542%0.424SS*.Hα-helixtrans-60.9-45.9177.4-64.4-175.2178.2-176.30112.4N67 V73N67-K69 PolarHBondContact O-N 3.42Å; N67-K69 VanDerWaalsContact O-N 3.16Å; K69-V73 WeakPolarHBondContact O-CG2 3.29Å; K69-V73 PolarHBondContact O-N 3.02Å
70E91.2Very high91.4Very high66 Ų6688.5 Ų88.531%0.30843%0.429SS..Hα-helixtrans-70.6-41179.1-67161.9-140.500110.7N25 N67 Y72 V73 H74N25-E70 PolarHBondContact ND2-OE2 3.3Å; N67-E70 HydrophobicContact CB-CB 4.43Å; N67-E70 HydrophobicContact CB-CG 4.27Å; N67-E70 WeakPolarHBondContact CB-OE1 3.49Å; N67-E70 PolarHBondContact ND2-OE1 2.86Å; N67-E70 PolarHBondContact O-N 2.89Å; N67-E70 VanDerWaalsContact O-N 3.09Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 2.94Å; E70-V73 PolarHBondContact O-N 3.2Å; E70-H74 PolarHBondContact O-CD2 2.8Å; E70-H74 PolarHBondContact O-N 2.73Å
71M90.7Very high91.4Very high9 Ų994.7 Ų94.74%0.04446%0.455CS..Hα-helixtrans-56.9-46.5176.2-167.8170.671.800111.3Y27 V56 N67 K68 V73 H74 F75 E80 I83Y27-M71 HydrophobicContact CE1-CB 4.41Å; V56-M71 HydrophobicContact CB-SD 4.13Å; V56-M71 HydrophobicContact CG2-SD 3.99Å; N67-M71 PolarHBondContact O-N 3.4Å; K68-M71 PolarHBondContact O-N 2.92Å; M71-V73 PolarHBondContact O-N 3.11Å; M71-H74 PolarHBondContact O-N 2.76Å; M71-F75 HydrophobicContact CG-CD2 3.87Å; M71-F75 HydrophobicContact CG-CE2 4.29Å; M71-F75 WeakPolarHBondContact O-CB 3.25Å; M71-F75 WeakPolarHBondContact O-CD2 3.43Å; M71-F75 PolarHBondContact O-N 2.87Å; M71-E80 HydrophobicContact CE-CG 4Å; M71-I83 HydrophobicContact CE-CD1 3.77Å; M71-I83 HydrophobicContact CG-CD1 3.74Å; M71-I83 HydrophobicContact CG-CG2 4.11Å; M71-I83 HydrophobicContact SD-CD1 3.9Å; M71-I83 HydrophobicContact SD-CG2 4.01Å
72Y91.4Very high91.7Very high120 Ų12094.7 Ų94.747%0.47145%0.445SS..Hα-helixtrans-59.5-47174.5-178.1-107.6000112.8K68 E70 H74 R76 E78K68-Y72 PolarHBondContact O-N 3.24Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 2.94Å; Y72-H74 VanDerWaalsContact C-N 3.29Å; Y72-H74 PolarHBondContact O-N 3.04Å; Y72-R76 VanDerWaalsContact O-CA 3.23Å; Y72-R76 WeakPolarHBondContact O-CA 3.45Å; Y72-R76 PolarHBondContact O-N 3.18Å; Y72-E78 HydrophobicContact CD2-CG 3.41Å; Y72-E78 VanDerWaalsContact CD2-CG 3.41Å; Y72-E78 HydrophobicContact CE2-CG 3.53Å; Y72-E78 HydrophobicContact CG-CG 4.45Å
73V92.5Very high91.9Very high98 Ų9887.6 Ų87.659%0.59441%0.414SS*.Hα-helixtrans-58.4-39.4178.2169.70000112.4K69 E70 M71K69-V73 WeakPolarHBondContact O-CG2 3.29Å; K69-V73 PolarHBondContact O-N 3.02Å; E70-V73 PolarHBondContact O-N 3.2Å; M71-V73 PolarHBondContact O-N 3.11Å
74H91.6Very high92.2Very high63 Ų6385.7 Ų85.729%0.29239%0.394SS..Hα-helixtrans-88.6-32.7-175.2-64-54.2000113.9K22 G23 N25 Y27 E70 M71 Y72K22-H74 HydrophobicContact CB-CB 4.41Å; K22-H74 HydrophobicContact CD-CB 4.2Å; K22-H74 WeakPolarHBondContact CD-O 3.18Å; K22-H74 WeakPolarHBondContact CE-O 3.36Å; K22-H74 HydrophobicContact CG-CB 4.25Å; K22-H74 PolarHBondContact NZ-O 3.08Å; G23-H74 VanDerWaalsContact CA-CE1 3.42Å; G23-H74 WeakPolarHBondContact CA-CE1 3.45Å; G23-H74 PolarHBondContact O-CE1 2.72Å; N25-H74 PolarHBondContact ND2-NE2 2.97Å; Y27-H74 PolarHBondContact OH-CD2 2.95Å; Y27-H74 VanDerWaalsContact OH-CD2 3.23Å; E70-H74 PolarHBondContact O-CD2 2.8Å; E70-H74 PolarHBondContact O-N 2.73Å; M71-H74 PolarHBondContact O-N 2.76Å; Y72-H74 VanDerWaalsContact C-N 3.29Å; Y72-H74 PolarHBondContact O-N 3.04Å
75F92.4Very high92.2Very high17 Ų1785.3 Ų85.38%0.07539%0.392CS..Hα-helixtrans-94.3-24.1179.5-70.1-88.4000113.8L20 K22 Y27 M71 T77 I83 T86 I87L20-F75 HydrophobicContact CD2-CE1 3.97Å; L20-F75 HydrophobicContact CD2-CZ 3.98Å; K22-F75 HydrophobicContact CD-CD1 4.24Å; K22-F75 HydrophobicContact CD-CE1 4.04Å; K22-F75 HydrophobicContact CD-CE2 4.39Å; K22-F75 HydrophobicContact CD-CZ 4.13Å; Y27-F75 HydrophobicContact CD1-CE2 4.27Å; Y27-F75 AromaticContact CD2-CE2 3.84Å; Y27-F75 HydrophobicContact CD2-CE2 3.84Å; Y27-F75 HydrophobicContact CD2-CZ 4.18Å; Y27-F75 HydrophobicContact CE1-CE2 4.4Å; Y27-F75 AromaticContact CE2-CE2 4Å; Y27-F75 HydrophobicContact CE2-CE2 4Å; Y27-F75 HydrophobicContact CG-CE2 4Å; Y27-F75 HydrophobicContact CG-CZ 4.32Å; M71-F75 HydrophobicContact CG-CD2 3.87Å; M71-F75 HydrophobicContact CG-CE2 4.29Å; M71-F75 WeakPolarHBondContact O-CB 3.25Å; M71-F75 WeakPolarHBondContact O-CD2 3.43Å; M71-F75 PolarHBondContact O-N 2.87Å; F75-T77 PolarHBondContact O-OG1 2.79Å; F75-I83 HydrophobicContact CB-CD1 4.36Å; F75-I83 HydrophobicContact CB-CG1 3.83Å; F75-I83 HydrophobicContact CD1-CB 4.45Å; F75-I83 HydrophobicContact CD1-CG1 4.2Å; F75-I83 HydrophobicContact CD1-CG2 4.01Å; F75-I83 HydrophobicContact CD2-CG1 4.38Å; F75-I83 HydrophobicContact CD2-CG2 3.89Å; F75-I83 HydrophobicContact CE1-CG2 3.97Å; F75-I83 HydrophobicContact CE2-CG2 3.84Å; F75-I83 HydrophobicContact CG-CB 4.46Å; F75-I83 HydrophobicContact CG-CG1 3.89Å; F75-I83 HydrophobicContact CG-CG2 3.98Å; F75-I83 HydrophobicContact CZ-CG2 3.88Å; F75-T86 HydrophobicContact CD1-CG2 4.17Å; F75-T86 HydrophobicContact CE1-CG2 3.93Å; F75-I87 HydrophobicContact CE1-CG1 4.07Å; F75-I87 HydrophobicContact CZ-CD1 3.96Å; F75-I87 HydrophobicContact CZ-CG1 3.79Å
76R90.6Very high92.2Very high221 Ų22181.1 Ų81.183%0.83438%0.378SS*.SBendtrans63.924.5-172.9-52.3179.9178.1180-2.5114.1Y72Y72-R76 VanDerWaalsContact O-CA 3.23Å; Y72-R76 WeakPolarHBondContact O-CA 3.45Å; Y72-R76 PolarHBondContact O-N 3.18Å
77T91.8Very high92.2Very high36 Ų3680.5 Ų80.522%0.22137%0.373CS..  trans-142.2143.3-174.1-50.80000108.4F75 D79 Q82F75-T77 PolarHBondContact O-OG1 2.79Å; T77-D79 HydrophobicContact CG2-CB 3.88Å; T77-Q82 HydrophobicContact CG2-CB 4.06Å; T77-Q82 HydrophobicContact CG2-CG 4.38Å
78E88.9Confident92.2Very high144 Ų14476.9 Ų76.967%0.67335%0.354SS*.  trans-94.3-25.7173.8-62.7-172.7179.200112.3Y72 E80Y72-E78 HydrophobicContact CD2-CG 3.41Å; Y72-E78 VanDerWaalsContact CD2-CG 3.41Å; Y72-E78 HydrophobicContact CE2-CG 3.53Å; Y72-E78 HydrophobicContact CG-CG 4.45Å; E78-E80 PolarHBondContact O-N 3.41Å
79D92.1Very high92.2Very high90 Ų9076.3 Ų76.348%0.48135%0.353SS..  trans-62.6103.9178.8-67.7-19.2000113.2T77 K81 Q82 I83T77-D79 HydrophobicContact CG2-CB 3.88Å; D79-K81 PolarHBondContact O-N 3.44Å; D79-K81 VanDerWaalsContact O-N 3.14Å; D79-Q82 HydrophobicContact CB-CB 4.13Å; D79-Q82 HydrophobicContact CB-CG 3.75Å; D79-Q82 PolarHBondContact O-N 3.29Å; D79-Q82 VanDerWaalsContact O-N 3.07Å; D79-Q82 PolarHBondContact OD2-NE2 3.33Å; D79-I83 WeakPolarHBondContact O-CD1 3.35Å; D79-I83 WeakPolarHBondContact O-CG1 3.34Å; D79-I83 PolarHBondContact O-N 3.05Å
80E90.7Very high92.3Very high67 Ų6774.2 Ų74.231%0.31335%0.345SS..Hα-helixtrans-55.3-33.7177.5-63-178.1173.400112.2K68 M71 E78 I83 I84K68-E80 VanDerWaalsContact CE-OE1 3.27Å; K68-E80 WeakPolarHBondContact CE-OE1 3.43Å; K68-E80 IonicContact NZ-OE1 2.63Å; K68-E80 PolarHBondContact NZ-OE1 2.91Å; M71-E80 HydrophobicContact CE-CG 4Å; E78-E80 PolarHBondContact O-N 3.41Å; E80-I83 PolarHBondContact O-N 3.31Å; E80-I84 WeakPolarHBondContact O-CB 3.46Å; E80-I84 WeakPolarHBondContact O-CD1 3.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 2.87Å
81K92.3Very high92.4Very high146 Ų14671.4 Ų71.464%0.63533%0.334SS*.Hα-helixtrans-63.8-44.1176.2-67.6-171.7177.9-172.80113.2D79 I83 I84 Q85D79-K81 PolarHBondContact O-N 3.44Å; D79-K81 VanDerWaalsContact O-N 3.14Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-I84 PolarHBondContact O-N 3.37Å; K81-Q85 WeakPolarHBondContact O-CG 3.46Å; K81-Q85 PolarHBondContact O-N 3.39Å
82Q92.3Very high92.6Very high90 Ų9076.7 Ų76.742%0.42136%0.359SS..Hα-helixtrans-67.5-37.7178.5-61.9-170.524.900111.1T77 D79 Q85 T86T77-Q82 HydrophobicContact CG2-CB 4.06Å; T77-Q82 HydrophobicContact CG2-CG 4.38Å; D79-Q82 HydrophobicContact CB-CB 4.13Å; D79-Q82 HydrophobicContact CB-CG 3.75Å; D79-Q82 PolarHBondContact O-N 3.29Å; D79-Q82 VanDerWaalsContact O-N 3.07Å; D79-Q82 PolarHBondContact OD2-NE2 3.33Å; Q82-Q85 PolarHBondContact O-N 3.28Å; Q82-T86 WeakPolarHBondContact O-CB 3.44Å; Q82-T86 PolarHBondContact O-N 2.97Å; Q82-T86 PolarHBondContact O-OG1 3.06Å
83I93.6Very high92.6Very high0 Ų072.6 Ų72.60%035%0.345CS..Hα-helixtrans-64.9-44.6176.5-66157.4000110.6V56 M71 F75 D79 E80 K81 T86 I87V56-I83 HydrophobicContact CG2-CG2 4.06Å; M71-I83 HydrophobicContact CE-CD1 3.77Å; M71-I83 HydrophobicContact CG-CD1 3.74Å; M71-I83 HydrophobicContact CG-CG2 4.11Å; M71-I83 HydrophobicContact SD-CD1 3.9Å; M71-I83 HydrophobicContact SD-CG2 4.01Å; F75-I83 HydrophobicContact CB-CD1 4.36Å; F75-I83 HydrophobicContact CB-CG1 3.83Å; F75-I83 HydrophobicContact CD1-CB 4.45Å; F75-I83 HydrophobicContact CD1-CG1 4.2Å; F75-I83 HydrophobicContact CD1-CG2 4.01Å; F75-I83 HydrophobicContact CD2-CG1 4.38Å; F75-I83 HydrophobicContact CD2-CG2 3.89Å; F75-I83 HydrophobicContact CE1-CG2 3.97Å; F75-I83 HydrophobicContact CE2-CG2 3.84Å; F75-I83 HydrophobicContact CG-CB 4.46Å; F75-I83 HydrophobicContact CG-CG1 3.89Å; F75-I83 HydrophobicContact CG-CG2 3.98Å; F75-I83 HydrophobicContact CZ-CG2 3.88Å; D79-I83 WeakPolarHBondContact O-CD1 3.35Å; D79-I83 WeakPolarHBondContact O-CG1 3.34Å; D79-I83 PolarHBondContact O-N 3.05Å; E80-I83 PolarHBondContact O-N 3.31Å; K81-I83 VanDerWaalsContact C-N 3.33Å; I83-T86 WeakPolarHBondContact O-CB 3.45Å; I83-T86 PolarHBondContact O-N 3.33Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.38Å; I83-I87 PolarHBondContact O-N 3.23Å
84I94.4Very high92.6Very high2 Ų271 Ų711%0.0133%0.331CS..Hα-helixtrans-56.5-50.4173.9-77.2164.3000111.1L29 L51 V56 E80 K81 T86 I87 L88L29-I84 HydrophobicContact CD1-CB 4.5Å; L29-I84 HydrophobicContact CD1-CG2 4.12Å; L29-I84 HydrophobicContact CD2-CG1 3.92Å; L51-I84 HydrophobicContact CD1-CG2 3.48Å; L51-I84 VanDerWaalsContact CD1-CG2 3.48Å; L51-I84 HydrophobicContact CD2-CG2 4.28Å; L51-I84 HydrophobicContact CG-CG2 4.49Å; V56-I84 HydrophobicContact CG2-CG1 4.1Å; E80-I84 WeakPolarHBondContact O-CB 3.46Å; E80-I84 WeakPolarHBondContact O-CD1 3.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 2.87Å; K81-I84 PolarHBondContact O-N 3.37Å; I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.3Å; I84-I87 PolarHBondContact O-N 3.04Å; I84-I87 VanDerWaalsContact O-N 3.16Å; I84-L88 HydrophobicContact CG2-CD1 4.11Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 3.01Å
85Q93.4Very high92.3Very high91 Ų9170.9 Ų70.943%0.42533%0.332SS..Hα-helixtrans-57.9-46177-72.8172.6-17.300111.8W39 L47 K81 Q82 I87 L88 E89W39-Q85 HydrophobicContact CZ2-CG 4.46Å; L47-Q85 HydrophobicContact CD1-CG 4.08Å; L47-Q85 HydrophobicContact CD2-CG 4.23Å; K81-Q85 WeakPolarHBondContact O-CG 3.46Å; K81-Q85 PolarHBondContact O-N 3.39Å; Q82-Q85 PolarHBondContact O-N 3.28Å; Q85-I87 VanDerWaalsContact C-N 3.29Å; Q85-I87 PolarHBondContact O-N 2.8Å; Q85-L88 PolarHBondContact O-N 3.11Å; Q85-E89 PolarHBondContact O-N 3.32Å
86T93.5Very high92.1Very high48 Ų4873 Ų7329%0.29435%0.346SS..Hα-helixtrans-57.7-41.8176.6-54.60000111.7F75 Q82 I83 I84 H90F75-T86 HydrophobicContact CD1-CG2 4.17Å; F75-T86 HydrophobicContact CE1-CG2 3.93Å; Q82-T86 WeakPolarHBondContact O-CB 3.44Å; Q82-T86 PolarHBondContact O-N 2.97Å; Q82-T86 PolarHBondContact O-OG1 3.06Å; I83-T86 WeakPolarHBondContact O-CB 3.45Å; I83-T86 PolarHBondContact O-N 3.33Å; I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.3Å; T86-H90 WeakPolarHBondContact O-CB 3.41Å; T86-H90 PolarHBondContact O-N 3.37Å; T86-H90 PolarHBondContact O-ND1 3.23Å
87I94.9Very high92.1Very high0 Ų069.4 Ų69.40%034%0.339CS..Hα-helixtrans-71.3-38.7178.3-64.1161.3000111.6V18 L20 L29 V56 F75 I83 I84 Q85 G91V18-I87 HydrophobicContact CG1-CG2 4.16Å; V18-I87 VanDerWaalsContact CG1-O 3.3Å; V18-I87 WeakPolarHBondContact CG1-O 3.34Å; L20-I87 HydrophobicContact CB-CB 4.43Å; L20-I87 HydrophobicContact CB-CG1 4.14Å; L20-I87 HydrophobicContact CB-CG2 3.99Å; L20-I87 HydrophobicContact CD2-CG1 3.91Å; L29-I87 HydrophobicContact CD1-CB 3.84Å; L29-I87 HydrophobicContact CD1-CG2 3.68Å; L29-I87 HydrophobicContact CD2-CD1 4.39Å; L29-I87 HydrophobicContact CG-CB 4.25Å; L29-I87 HydrophobicContact CG-CG2 3.73Å; V56-I87 HydrophobicContact CG1-CD1 3.77Å; V56-I87 HydrophobicContact CG2-CD1 4.2Å; F75-I87 HydrophobicContact CE1-CG1 4.07Å; F75-I87 HydrophobicContact CZ-CD1 3.96Å; F75-I87 HydrophobicContact CZ-CG1 3.79Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.38Å; I83-I87 PolarHBondContact O-N 3.23Å; I84-I87 PolarHBondContact O-N 3.04Å; I84-I87 VanDerWaalsContact O-N 3.16Å; Q85-I87 VanDerWaalsContact C-N 3.29Å; Q85-I87 PolarHBondContact O-N 2.8Å; I87-G91 WeakPolarHBondContact O-CA 3.37Å; I87-G91 PolarHBondContact O-N 3.05Å
88L93.6Very high91.9Very high0 Ų075.5 Ų75.50%036%0.363CS..Hα-helixtrans-64-40.1177.2-73175.3000112.3V18 L29 W39 R40 L47 V50 L51 I84 Q85V18-L88 HydrophobicContact CG2-CD2 4.18Å; L29-L88 HydrophobicContact CD1-CD2 3.8Å; L29-L88 HydrophobicContact CD1-CG 3.75Å; W39-L88 HydrophobicContact CD2-CB 4.44Å; W39-L88 HydrophobicContact CD2-CD1 4.2Å; W39-L88 HydrophobicContact CE3-CB 3.8Å; W39-L88 HydrophobicContact CE3-CD1 4.37Å; W39-L88 HydrophobicContact CH2-CB 3.71Å; W39-L88 HydrophobicContact CH2-CD1 4.33Å; W39-L88 HydrophobicContact CZ2-CB 4.35Å; W39-L88 HydrophobicContact CZ2-CD1 4.15Å; W39-L88 HydrophobicContact CZ3-CB 3.4Å; W39-L88 HydrophobicContact CZ3-CD1 4.45Å; R40-L88 PolarHBondContact NE-O 3.07Å; R40-L88 VanDerWaalsContact NE-O 3.08Å; R40-L88 PolarHBondContact NH2-O 3.19Å; L47-L88 HydrophobicContact CD2-CD1 3.77Å; V50-L88 HydrophobicContact CG1-CD2 4.41Å; L51-L88 HydrophobicContact CD2-CD1 4.42Å; L51-L88 HydrophobicContact CD2-CD2 4.32Å; I84-L88 HydrophobicContact CG2-CD1 4.11Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 3.01Å; Q85-L88 PolarHBondContact O-N 3.11Å
89E92.9Very high91.9Very high126 Ų12670 Ų7059%0.58934%0.337SS*.Hα-helixtrans-74.3-54.1179-174.9177.7-144.200112.1W39 Q85W39-E89 HydrophobicContact CH2-CB 4.49Å; W39-E89 HydrophobicContact CZ3-CB 4.31Å; Q85-E89 PolarHBondContact O-N 3.32Å
90H93.5Very high91.8Very high124 Ų12473.2 Ų73.257%0.57434%0.342SS*.Hα-helixtrans-90.8-8.5-171.3-65.676000114.4L20 T86L20-H90 HydrophobicContact CD1-CB 4.14Å; T86-H90 WeakPolarHBondContact O-CB 3.41Å; T86-H90 PolarHBondContact O-N 3.37Å; T86-H90 PolarHBondContact O-ND1 3.23Å
91G93.9Very high91.9Very high7 Ų773.8 Ų73.87%0.07235%0.347CS..SBendtrans-75.8159.8-176.100000114.8R19 R40 I87R19-G91 CarbonylContact O-C 3.39Å; R19-G91 WeakPolarHBondContact O-CA 3.21Å; R40-G91 PolarHBondContact NH2-O 3.14Å; I87-G91 WeakPolarHBondContact O-CA 3.37Å; I87-G91 PolarHBondContact O-N 3.05Å
92E93.6Very high91.8Very high121 Ų12171.4 Ų71.457%0.56535%0.345SS*.EExtended strand (participates in β ladder)trans-85.1122.4167.2-171.8-170.7165.800109.3R19 Q94R19-E92 PolarHBondContact N-O 2.77Å; R19-E92 PolarHBondContact O-N 3.37Å; E92-Q94 PolarHBondContact O-N 2.69Å
93L93Very high91.7Very high34 Ų3469.2 Ų69.218%0.17835%0.346CS..EExtended strand (participates in β ladder)trans-78.1114.1174.7174.258.5000110.2V18 V36 Q37 L95V18-L93 HydrophobicContact CG2-CD1 4.01Å; V36-L93 HydrophobicContact CB-CD1 4.14Å; V36-L93 HydrophobicContact CB-CD2 4.19Å; V36-L93 HydrophobicContact CG1-CD1 4.14Å; V36-L93 HydrophobicContact CG1-CD2 4.19Å; V36-L93 HydrophobicContact CG2-CD1 4.15Å; Q37-L93 HydrophobicContact CG-CD2 4.09Å; L93-L95 HydrophobicContact CD2-CD2 3.69Å; L93-L95 HydrophobicContact CD2-CG 4.42Å; L93-L95 HydrophobicContact CG-CD2 3.89Å; L93-L95 HydrophobicContact CG-CG 4.28Å; L93-L95 PolarHBondContact O-N 2.61Å
94Q91.3Very high91.7Very high64 Ų6474 Ų7430%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-8191.7173.7-51.1-115.9-79.300109.2V17 R19 E92V17-Q94 HydrophobicContact CB-CB 4.18Å; V17-Q94 HydrophobicContact CB-CG 4.3Å; V17-Q94 HydrophobicContact CG1-CG 4.45Å; V17-Q94 WeakPolarHBondContact O-CA 3.43Å; V17-Q94 WeakPolarHBondContact O-CB 3.39Å; V17-Q94 VanDerWaalsContact O-CG 3.29Å; V17-Q94 WeakPolarHBondContact O-CG 3.31Å; V17-Q94 PolarHBondContact O-N 2.77Å; R19-Q94 HydrophobicContact CB-CG 4.33Å; R19-Q94 VanDerWaalsContact NH1-CD 3.31Å; E92-Q94 PolarHBondContact O-N 2.69Å
95L86.5Confident91.7Very high60 Ų6078.7 Ų78.731%0.31439%0.39SS..  trans-68.1133.7174.1-65.7176.1000111.6L93 E99L93-L95 HydrophobicContact CD2-CD2 3.69Å; L93-L95 HydrophobicContact CD2-CG 4.42Å; L93-L95 HydrophobicContact CG-CD2 3.89Å; L93-L95 HydrophobicContact CG-CG 4.28Å; L93-L95 PolarHBondContact O-N 2.61Å; L95-E99 HydrophobicContact CB-CB 4.4Å; L95-E99 HydrophobicContact CD2-CB 4.2Å
96T87.6Confident91.7Very high61 Ų6176.6 Ų76.637%0.37439%0.388SS..  trans-61.8151.6168.2-55.80000109.9K98 E99 R100T96-K98 HydrophobicContact CG2-CB 4.48Å; T96-K98 PolarHBondContact O-N 3.17Å; T96-E99 WeakPolarHBondContact CB-OE2 3.48Å; T96-E99 PolarHBondContact N-OE2 3.22Å; T96-E99 PolarHBondContact O-N 3.48Å; T96-E99 VanDerWaalsContact O-N 3.09Å; T96-E99 PolarHBondContact OG1-OE2 3.23Å; T96-R100 PolarHBondContact O-N 3.48Å
97E89.4Confident91.7Very high146 Ų14675.9 Ų75.968%0.68238%0.383SS*.Hα-helixtrans-53.5-41.6177.8-176.4170.7-149.400112.7R100 L101E97-R100 PolarHBondContact O-N 2.93Å; E97-L101 HydrophobicContact CG-CD1 4.24Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 3.26Å
98K88.3Confident91.7Very high165 Ų16577.5 Ų77.572%0.71739%0.39SS*.Hα-helixtrans-60.5-48.3174.7-65-175.7179.2-178.70112.8T96 R100 L101 V102T96-K98 HydrophobicContact CG2-CB 4.48Å; T96-K98 PolarHBondContact O-N 3.17Å; K98-R100 VanDerWaalsContact C-N 3.33Å; K98-R100 PolarHBondContact O-N 2.81Å; K98-L101 PolarHBondContact O-N 2.9Å; K98-V102 WeakPolarHBondContact O-CG2 3.28Å; K98-V102 PolarHBondContact O-N 2.94Å
99E89Confident91.8Very high28 Ų2884.6 Ų84.613%0.13142%0.416CS..Hα-helixtrans-62.1-42.1177.3-65.9171.7127.400111S16 P33 N34 L95 T96 L101 V102 G103S16-E99 VanDerWaalsContact OG-CD 3.23Å; S16-E99 PolarHBondContact OG-OE1 3.09Å; S16-E99 PolarHBondContact OG-OE2 2.94Å; S16-E99 VanDerWaalsContact OG-OE2 3.05Å; P33-E99 WeakPolarHBondContact CA-OE1 3.42Å; P33-E99 WeakPolarHBondContact CB-OE1 2.94Å; N34-E99 PolarHBondContact N-OE1 3.23Å; L95-E99 HydrophobicContact CB-CB 4.4Å; L95-E99 HydrophobicContact CD2-CB 4.2Å; T96-E99 WeakPolarHBondContact CB-OE2 3.48Å; T96-E99 PolarHBondContact N-OE2 3.22Å; T96-E99 PolarHBondContact O-N 3.48Å; T96-E99 VanDerWaalsContact O-N 3.09Å; T96-E99 PolarHBondContact OG1-OE2 3.23Å; E99-L101 PolarHBondContact O-N 3.35Å; E99-V102 PolarHBondContact O-N 3.21Å; E99-G103 PolarHBondContact O-N 2.71Å
100R90.1Very high91.9Very high158 Ų15882.6 Ų82.660%0.59641%0.41SS*.Hα-helixtrans-60.6-43.6176.9-172.2-174.4-57167.26.8111.9T96 E97 K98 Q104T96-R100 PolarHBondContact O-N 3.48Å; E97-R100 PolarHBondContact O-N 2.93Å; K98-R100 VanDerWaalsContact C-N 3.33Å; K98-R100 PolarHBondContact O-N 2.81Å; R100-Q104 VanDerWaalsContact O-CB 3.28Å; R100-Q104 WeakPolarHBondContact O-CB 3.4Å; R100-Q104 PolarHBondContact O-N 2.91Å
101L92.1Very high92Very high79 Ų7976.7 Ų76.741%0.41438%0.383SS..Hα-helixtrans-65-43176.4-72.2170.1000111.6E97 K98 E99 Q104 Q105E97-L101 HydrophobicContact CG-CD1 4.24Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 3.26Å; K98-L101 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact O-N 3.35Å; L101-Q104 PolarHBondContact O-N 2.81Å; L101-Q105 WeakPolarHBondContact O-CB 3.4Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.41Å; L101-Q105 PolarHBondContact O-N 3.38Å
102V91.8Very high92.1Very high96 Ų9676.4 Ų76.458%0.58238%0.379SS*.Hα-helixtrans-62.2-48176.1171.70000111.2K98 E99 Q104 Q105 A106K98-V102 WeakPolarHBondContact O-CG2 3.28Å; K98-V102 PolarHBondContact O-N 2.94Å; E99-V102 PolarHBondContact O-N 3.21Å; V102-Q104 VanDerWaalsContact C-N 3.35Å; V102-Q104 PolarHBondContact O-N 3.12Å; V102-Q105 PolarHBondContact O-N 3.1Å; V102-A106 WeakPolarHBondContact O-CB 3.36Å; V102-A106 PolarHBondContact O-N 3.15Å
103G90.3Very high92.2Very high43 Ų4376 Ų7644%0.44338%0.375SS..Hα-helixtrans-62.7-38.8177.200000113.1E99 L107E99-G103 PolarHBondContact O-N 2.71Å; G103-L107 WeakPolarHBondContact O-CB 3.47Å; G103-L107 PolarHBondContact O-N 2.7Å
104Q92.6Very high92.3Very high100 Ų10076 Ų7647%0.46738%0.375SS..Hα-helixtrans-67-40.4174.6-172.4177.943.500112R100 L101 V102 F108R100-Q104 VanDerWaalsContact O-CB 3.28Å; R100-Q104 WeakPolarHBondContact O-CB 3.4Å; R100-Q104 PolarHBondContact O-N 2.91Å; L101-Q104 PolarHBondContact O-N 2.81Å; V102-Q104 VanDerWaalsContact C-N 3.35Å; V102-Q104 PolarHBondContact O-N 3.12Å; Q104-F108 WeakPolarHBondContact O-CB 3.39Å; Q104-F108 PolarHBondContact O-N 3.43Å
105Q93.8Very high92.4Very high102 Ų10273 Ų7348%0.47736%0.361SS..Hα-helixtrans-67.7-38.7176.9-75175.116.900112.5L101 V102 F108 R109L101-Q105 WeakPolarHBondContact O-CB 3.4Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.41Å; L101-Q105 PolarHBondContact O-N 3.38Å; V102-Q105 PolarHBondContact O-N 3.1Å; Q105-F108 PolarHBondContact O-N 3.29Å; Q105-R109 WeakPolarHBondContact O-CG 3.23Å; Q105-R109 PolarHBondContact O-N 3.06Å
106A93.4Very high92.7Very high46 Ų4670.9 Ų70.938%0.3835%0.351SS..Hα-helixtrans-60.7-54.7173.400000110.6V102 F108 R109 D110V102-A106 WeakPolarHBondContact O-CB 3.36Å; V102-A106 PolarHBondContact O-N 3.15Å; A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.49Å; A106-R109 WeakPolarHBondContact O-CB 3.48Å; A106-R109 PolarHBondContact O-N 3.24Å; A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 2.93Å
107L94.1Very high92.9Very high34 Ų3472.6 Ų72.618%0.17836%0.355CS..Hα-helixtrans-59.4-38178.2-173156000112.1G103 D110 V111 L144G103-L107 WeakPolarHBondContact O-CB 3.47Å; G103-L107 PolarHBondContact O-N 2.7Å; L107-D110 PolarHBondContact O-N 3.13Å; L107-V111 HydrophobicContact CD2-CG2 4.1Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 WeakPolarHBondContact O-CG2 3.4Å; L107-V111 PolarHBondContact O-N 2.87Å; L107-L144 HydrophobicContact CD2-CB 3.73Å; L107-L144 HydrophobicContact CD2-CD1 3.62Å; L107-L144 HydrophobicContact CD2-CG 4.2Å
108F95Very high92.9Very high34 Ų3469.3 Ų69.315%0.14934%0.336CS..Hα-helixtrans-62.2-44.2174.8-175.1-91.9000112.4Q104 Q105 A106 A112 E134 M137 K138 L144Q104-F108 WeakPolarHBondContact O-CB 3.39Å; Q104-F108 PolarHBondContact O-N 3.43Å; Q105-F108 PolarHBondContact O-N 3.29Å; A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.49Å; F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 2.88Å; F108-E134 HydrophobicContact CD1-CG 4.24Å; F108-E134 HydrophobicContact CE1-CB 3.78Å; F108-E134 HydrophobicContact CE1-CG 3.67Å; F108-E134 HydrophobicContact CZ-CB 4.38Å; F108-E134 WeakPolarHBondContact CZ-O 3.37Å; F108-M137 HydrophobicContact CD2-CE 3.85Å; F108-M137 HydrophobicContact CE2-CB 3.81Å; F108-M137 HydrophobicContact CE2-CE 3.73Å; F108-M137 HydrophobicContact CE2-SD 4.37Å; F108-M137 HydrophobicContact CZ-CB 3.79Å; F108-M137 HydrophobicContact CZ-CE 4.36Å; F108-M137 HydrophobicContact CZ-SD 4.43Å; F108-K138 HydrophobicContact CZ-CG 4.06Å; F108-L144 HydrophobicContact CB-CD1 4.03Å; F108-L144 HydrophobicContact CD2-CD1 3.74Å; F108-L144 HydrophobicContact CG-CD1 4.31Å
109R94.9Very high93Very high148 Ų14861.5 Ų61.556%0.55830%0.303SS*.Hα-helixtrans-65.5-43.4175.6-76171176.61763.1112.5Q105 A106 V111 A112 K113 E134Q105-R109 WeakPolarHBondContact O-CG 3.23Å; Q105-R109 PolarHBondContact O-N 3.06Å; A106-R109 WeakPolarHBondContact O-CB 3.48Å; A106-R109 PolarHBondContact O-N 3.24Å; R109-V111 VanDerWaalsContact C-N 3.32Å; R109-V111 PolarHBondContact O-N 2.92Å; R109-A112 PolarHBondContact O-N 3.44Å; R109-K113 WeakPolarHBondContact O-CB 3.15Å; R109-K113 PolarHBondContact O-N 2.88Å; R109-E134 WeakPolarHBondContact CG-OE1 3.21Å
110D95.9Very high93.2Very high85 Ų8560.9 Ų60.946%0.45530%0.3SS..Hα-helixtrans-62.8-41.3178.8-65.8-27.2000111.5A106 L107 K113 M114 A150A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 2.93Å; L107-D110 PolarHBondContact O-N 3.13Å; D110-K113 PolarHBondContact O-N 3.29Å; D110-M114 WeakPolarHBondContact O-CE 3.19Å; D110-M114 PolarHBondContact O-N 3.47Å; D110-A150 HydrophobicContact CB-CB 4.37Å
111V96.2Very high93.2Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-64.4-48.3173.5171.10000110.8L107 R109 K113 M114 V115 M137 L144 A150 H153 V157L107-V111 HydrophobicContact CD2-CG2 4.1Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 WeakPolarHBondContact O-CG2 3.4Å; L107-V111 PolarHBondContact O-N 2.87Å; R109-V111 VanDerWaalsContact C-N 3.32Å; R109-V111 PolarHBondContact O-N 2.92Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3Å; V111-M114 PolarHBondContact O-N 3.33Å; V111-V115 HydrophobicContact CG1-CG2 4.43Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.2Å; V111-V115 PolarHBondContact O-N 3.21Å; V111-M137 HydrophobicContact CB-CE 4.27Å; V111-M137 HydrophobicContact CG1-CE 3.62Å; V111-M137 HydrophobicContact CG1-SD 4.27Å; V111-L144 HydrophobicContact CG2-CD1 4.5Å; V111-A150 HydrophobicContact CG2-CB 3.92Å; V111-H153 HydrophobicContact CG1-CB 4.31Å; V111-H153 HydrophobicContact CG2-CB 3.57Å; V111-V157 HydrophobicContact CG1-CB 4.4Å; V111-V157 HydrophobicContact CG1-CG2 3.85Å
112A95.6Very high93Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-59.7-38.6177.500000112.3F108 R109 V115 S116 V130 I133 E134 M137F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 2.88Å; R109-A112 PolarHBondContact O-N 3.44Å; A112-V115 PolarHBondContact O-N 3.08Å; A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3.4Å; A112-V130 HydrophobicContact CB-CG1 3.8Å; A112-I133 HydrophobicContact CB-CG2 3.94Å; A112-E134 HydrophobicContact CB-CG 3.84Å; A112-M137 HydrophobicContact CB-SD 4.05Å
113K96.2Very high92.8Very high112 Ų11255.7 Ų55.749%0.48728%0.281SS..Hα-helixtrans-61.9-52.8173.9-177.9-179.6171.2-175.50111.6R109 D110 V111 V115 S116 E117R109-K113 WeakPolarHBondContact O-CB 3.15Å; R109-K113 PolarHBondContact O-N 2.88Å; D110-K113 PolarHBondContact O-N 3.29Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3Å; K113-V115 VanDerWaalsContact C-N 3.26Å; K113-V115 PolarHBondContact O-N 3.36Å; K113-S116 WeakPolarHBondContact O-CA 3.39Å; K113-S116 WeakPolarHBondContact O-CB 3.4Å; K113-S116 PolarHBondContact O-N 3.18Å; K113-S116 PolarHBondContact O-OG 2.96Å; K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 PolarHBondContact O-N 2.7Å
114M94.4Very high92.7Very high36 Ų3657.2 Ų57.218%0.17728%0.279CS..Hα-helixtrans-61.2-33.2178-83.1-175.5-76.600113.5D110 V111 R118 A150 K151 A154D110-M114 WeakPolarHBondContact O-CE 3.19Å; D110-M114 PolarHBondContact O-N 3.47Å; V111-M114 PolarHBondContact O-N 3.33Å; M114-R118 WeakPolarHBondContact O-CB 3.49Å; M114-R118 VanDerWaalsContact O-CG 3.32Å; M114-R118 WeakPolarHBondContact O-CG 3.49Å; M114-R118 PolarHBondContact O-N 3.32Å; M114-A150 HydrophobicContact CE-CB 3.41Å; M114-A150 VanDerWaalsContact CE-CB 3.41Å; M114-A150 WeakPolarHBondContact CE-O 3Å; M114-K151 HydrophobicContact SD-CB 4.32Å; M114-A154 HydrophobicContact CB-CB 3.97Å
115V93.6Very high92.3Very high0 Ų055.2 Ų55.20%027%0.272CS..Hα-helixtrans-69.6-37.7173.5174.80000110.4V111 A112 K113 E117 R118 C119 I133 A154 V157 I158 L161V111-V115 HydrophobicContact CG1-CG2 4.43Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.2Å; V111-V115 PolarHBondContact O-N 3.21Å; A112-V115 PolarHBondContact O-N 3.08Å; K113-V115 VanDerWaalsContact C-N 3.26Å; K113-V115 PolarHBondContact O-N 3.36Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 3.35Å; V115-R118 PolarHBondContact O-N 3.48Å; V115-C119 HydrophobicContact CG1-CB 4.4Å; V115-C119 WeakPolarHBondContact O-CB 3.33Å; V115-C119 PolarHBondContact O-N 2.92Å; V115-C119 PolarHBondContact O-SG 2.96Å; V115-C119 VanDerWaalsContact O-SG 3.38Å; V115-I133 HydrophobicContact CB-CD1 4.28Å; V115-I133 HydrophobicContact CB-CG2 4.02Å; V115-I133 HydrophobicContact CG1-CD1 3.88Å; V115-I133 HydrophobicContact CG1-CG1 4.17Å; V115-I133 HydrophobicContact CG1-CG2 3.83Å; V115-A154 HydrophobicContact CG2-CB 4.16Å; V115-V157 HydrophobicContact CG2-CB 4.33Å; V115-V157 HydrophobicContact CG2-CG1 3.89Å; V115-I158 HydrophobicContact CG1-CG1 4.24Å; V115-I158 HydrophobicContact CG2-CD1 4.48Å; V115-I158 HydrophobicContact CG2-CG1 4.09Å; V115-L161 HydrophobicContact CG1-CD1 4.18Å
116S93Very high92Very high15 Ų1559 Ų5911%0.10528%0.281CS..Hα-helixtrans-67.1-30.9177.878.40000113.9A112 K113 Y128 I133A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3.4Å; K113-S116 WeakPolarHBondContact O-CA 3.39Å; K113-S116 WeakPolarHBondContact O-CB 3.4Å; K113-S116 PolarHBondContact O-N 3.18Å; K113-S116 PolarHBondContact O-OG 2.96Å; S116-Y128 WeakPolarHBondContact CB-O 3.47Å; S116-I133 VanDerWaalsContact CB-CD1 3.48Å; S116-I133 VanDerWaalsContact N-CD1 3.33Å
117E91.4Very high91.8Very high97 Ų9758.7 Ų58.745%0.45328%0.279SS..Hα-helixtrans-72.9-34.9175.3-70.4164.1179.800111.3K113 V115K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 PolarHBondContact O-N 2.7Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 3.35Å
118R89.9Confident91.7Very high78 Ų7858.6 Ų58.629%0.29428%0.277SS..Hα-helixtrans-98.7-8.2-173.4-65.4-178.5-167.1166.513.5115.9M114 V115 I158 P171 S172M114-R118 WeakPolarHBondContact O-CB 3.49Å; M114-R118 VanDerWaalsContact O-CG 3.32Å; M114-R118 WeakPolarHBondContact O-CG 3.49Å; M114-R118 PolarHBondContact O-N 3.32Å; V115-R118 PolarHBondContact O-N 3.48Å; R118-I158 HydrophobicContact CB-CD1 4.24Å; R118-P171 CarbonylContact O-C 3.6Å; R118-S172 PolarHBondContact O-N 3.23Å
119C90.6Very high91.7Very high1 Ų161 Ų611%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-123.4143.5-173-63.60000113.3V115 I169 A170V115-C119 HydrophobicContact CG1-CB 4.4Å; V115-C119 WeakPolarHBondContact O-CB 3.33Å; V115-C119 PolarHBondContact O-N 2.92Å; V115-C119 PolarHBondContact O-SG 2.96Å; V115-C119 VanDerWaalsContact O-SG 3.38Å; C119-I169 HydrophobicContact CB-CG2 3.89Å; C119-A170 WeakPolarHBondContact CA-O 3.36Å
120V91.6Very high91.7Very high14 Ų1456.5 Ų56.59%0.08528%0.283CS..EExtended strand (participates in β ladder)trans-131.8157.5176.6-63.90000110.6R126 A127 A170V120-R126 WeakPolarHBondContact CA-O 3.39Å; V120-A127 HydrophobicContact CG1-CB 4.5Å; V120-A170 HydrophobicContact CG2-CB 4.4Å; V120-A170 PolarHBondContact N-O 3.26Å; V120-A170 PolarHBondContact O-N 2.95Å
121N91.2Very high91.7Very high26 Ų2657.1 Ų57.114%0.13929%0.29CS..  trans-81.7122.4166.3176.4-15.4000108.6E123 N124 N125 R126 Y128N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 WeakPolarHBondContact OD1-CB 3.37Å; N121-E123 PolarHBondContact OD1-N 3.3Å; N121-N124 WeakPolarHBondContact CB-OD1 3.27Å; N121-N124 PolarHBondContact O-N 2.8Å; N121-N125 WeakPolarHBondContact O-CA 3.36Å; N121-N125 PolarHBondContact O-N 3.15Å; N121-R126 PolarHBondContact N-O 3.46Å; N121-Y128 HydrophobicContact CB-CE2 3.92Å
122P86.9Confident91.5Very high67 Ų6761.1 Ų61.144%0.43531%0.31SS..THydrogen-bonded Turntrans-67.2-18.7-175.928.9-35.3000113.9K168 A170P122-K168 WeakPolarHBondContact CD-O 3.34Å; P122-K168 HydrophobicContact CG-CB 4.25Å; P122-A170 HydrophobicContact CB-CB 4.11Å; P122-A170 HydrophobicContact CG-CB 4.37Å
123E87.5Confident91.5Very high131 Ų13161.1 Ų61.161%0.61231%0.31SS*.THydrogen-bonded Turntrans-80.8-26.1-177.5-59.4-170.4129.100113.4N121 K168N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 WeakPolarHBondContact OD1-CB 3.37Å; N121-E123 PolarHBondContact OD1-N 3.3Å; E123-K168 VanDerWaalsContact CD-CD 3.43Å; E123-K168 HydrophobicContact CG-CD 3.99Å; E123-K168 IonicContact OE1-NZ 2.61Å; E123-K168 PolarHBondContact OE1-NZ 3.11Å; E123-K168 VanDerWaalsContact OE2-CD 3.23Å; E123-K168 WeakPolarHBondContact OE2-CD 3.43Å; E123-K168 IonicContact OE2-NZ 2.69Å; E123-K168 PolarHBondContact OE2-NZ 3.13Å
124N88.2Confident91.4Very high75 Ų7557.6 Ų57.640%0.40130%0.295SS..THydrogen-bonded Turntrans-132.1-0-174.567.719.9000113.9N121 R126N121-N124 WeakPolarHBondContact CB-OD1 3.27Å; N121-N124 PolarHBondContact O-N 2.8Å; N124-R126 HydrophobicContact CB-CG 4.32Å; N124-R126 PolarHBondContact O-N 2.98Å; N124-R126 VanDerWaalsContact O-N 3.08Å; N124-R126 VanDerWaalsContact OD1-CB 3.27Å; N124-R126 WeakPolarHBondContact OD1-CB 3.29Å; N124-R126 WeakPolarHBondContact OD1-CG 3.47Å; N124-R126 PolarHBondContact OD1-N 3Å
125N84.1Confident91.4Very high59 Ų5961.7 Ų61.732%0.31631%0.312SS..  trans52.525-177.2-63.3-42.2000114.2N121N121-N125 WeakPolarHBondContact O-CA 3.36Å; N121-N125 PolarHBondContact O-N 3.15Å
126R88.5Confident91.3Very high180 Ų18061.9 Ų61.968%0.67931%0.313SS*.PPolyproline II helixtrans-92139.1175.4-58.2-175-176.2-173.41.6110.2V120 N121 N124V120-R126 WeakPolarHBondContact CA-O 3.39Å; N121-R126 PolarHBondContact N-O 3.46Å; N124-R126 HydrophobicContact CB-CG 4.32Å; N124-R126 PolarHBondContact O-N 2.98Å; N124-R126 VanDerWaalsContact O-N 3.08Å; N124-R126 VanDerWaalsContact OD1-CB 3.27Å; N124-R126 WeakPolarHBondContact OD1-CB 3.29Å; N124-R126 WeakPolarHBondContact OD1-CG 3.47Å; N124-R126 PolarHBondContact OD1-N 3Å
127A89.5Confident91.3Very high40 Ų4061.2 Ų61.233%0.33131%0.308SS..BIsolated β-bridgetrans-69.8146.9170.200000111V120 K245V120-A127 HydrophobicContact CG1-CB 4.5Å; A127-K245 HydrophobicContact CB-CD 4.43Å; A127-K245 VanDerWaalsContact CB-NZ 3.33Å
128Y91.6Very high91.4Very high33 Ų3362.4 Ų62.413%0.12931%0.312CS..PPolyproline II helixtrans-75.3145.6174.2-73.7-80.8000111.3S116 N121 M132 I133 M136 K168 I169S116-Y128 WeakPolarHBondContact CB-O 3.47Å; N121-Y128 HydrophobicContact CB-CE2 3.92Å; Y128-M132 HydrophobicContact CD1-CB 4.41Å; Y128-M132 HydrophobicContact CD1-CG 3.88Å; Y128-M132 HydrophobicContact CE1-CG 4.42Å; Y128-I133 HydrophobicContact CG-CG1 4.49Å; Y128-M136 HydrophobicContact CD1-SD 4.28Å; Y128-M136 HydrophobicContact CE1-CE 4.14Å; Y128-M136 HydrophobicContact CE1-SD 4.28Å; Y128-K168 PolarHBondContact OH-O 3.26Å; Y128-I169 HydrophobicContact CD2-CG1 4.27Å; Y128-I169 HydrophobicContact CE2-CG1 3.63Å
129T94Very high91.5Very high85 Ų8562.7 Ų62.752%0.52132%0.319SS..PPolyproline II helixtrans-72.2151.3168.163.60000110.1T131 M132 I133T129-T131 PolarHBondContact O-N 2.94Å; T129-T131 PolarHBondContact OG1-OG1 3Å; T129-M132 PolarHBondContact O-N 3.47Å; T129-M132 WeakPolarHBondContact OG1-CB 3.46Å; T129-M132 PolarHBondContact OG1-N 2.89Å; T129-I133 PolarHBondContact O-N 3.07Å; T129-I133 VanDerWaalsContact O-N 3.17Å
130V95.5Very high91.4Very high52 Ų5264.5 Ų64.532%0.31533%0.331SS..Hα-helixtrans-53-44.7175.7-1750000110.7A112 M132 I133 E134A112-V130 HydrophobicContact CB-CG1 3.8Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 3.27Å; V130-I133 PolarHBondContact O-N 3.47Å; V130-E134 HydrophobicContact CG1-CG 4.39Å; V130-E134 WeakPolarHBondContact O-CG 3.35Å; V130-E134 PolarHBondContact O-N 2.9Å
131T95.4Very high91.4Very high98 Ų9871.9 Ų71.960%0.60136%0.364SS*.Hα-helixtrans-59.9-33.6177.950.50000114.3T129 K135T129-T131 PolarHBondContact O-N 2.94Å; T129-T131 PolarHBondContact OG1-OG1 3Å; T131-K135 PolarHBondContact O-N 3.2Å
132M93.5Very high91.2Very high85 Ų8571.7 Ų71.742%0.41936%0.363SS..Hα-helixtrans-72.7-42.3176.6-170.164.1168.600110.5Y128 T129 V130 K135 M136Y128-M132 HydrophobicContact CD1-CB 4.41Å; Y128-M132 HydrophobicContact CD1-CG 3.88Å; Y128-M132 HydrophobicContact CE1-CG 4.42Å; T129-M132 PolarHBondContact O-N 3.47Å; T129-M132 WeakPolarHBondContact OG1-CB 3.46Å; T129-M132 PolarHBondContact OG1-N 2.89Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 3.27Å; M132-K135 WeakPolarHBondContact O-CB 3.43Å; M132-K135 PolarHBondContact O-N 3.14Å; M132-K135 VanDerWaalsContact O-N 3.15Å; M132-M136 HydrophobicContact CG-SD 4.1Å; M132-M136 VanDerWaalsContact O-CG 3.25Å; M132-M136 WeakPolarHBondContact O-CG 3.43Å; M132-M136 PolarHBondContact O-N 3.21Å
133I94.3Very high91.3Very high0 Ų073.3 Ų73.30%038%0.376CS..Hα-helixtrans-65.6-40.6175.5-72.3156.3000111.4A112 V115 S116 Y128 T129 V130 K135 M136 M137A112-I133 HydrophobicContact CB-CG2 3.94Å; V115-I133 HydrophobicContact CB-CD1 4.28Å; V115-I133 HydrophobicContact CB-CG2 4.02Å; V115-I133 HydrophobicContact CG1-CD1 3.88Å; V115-I133 HydrophobicContact CG1-CG1 4.17Å; V115-I133 HydrophobicContact CG1-CG2 3.83Å; S116-I133 VanDerWaalsContact CB-CD1 3.48Å; S116-I133 VanDerWaalsContact N-CD1 3.33Å; Y128-I133 HydrophobicContact CG-CG1 4.49Å; T129-I133 PolarHBondContact O-N 3.07Å; T129-I133 VanDerWaalsContact O-N 3.17Å; V130-I133 PolarHBondContact O-N 3.47Å; I133-K135 PolarHBondContact O-N 3.39Å; I133-M136 PolarHBondContact O-N 3.02Å; I133-M136 VanDerWaalsContact O-N 3.13Å; I133-M137 HydrophobicContact CG2-CG 4.1Å; I133-M137 HydrophobicContact CG2-SD 3.78Å; I133-M137 WeakPolarHBondContact O-CB 3.32Å; I133-M137 VanDerWaalsContact O-CG 3.29Å; I133-M137 WeakPolarHBondContact O-CG 3.42Å; I133-M137 PolarHBondContact O-N 3Å
134E94.4Very high91.5Very high38 Ų3867.9 Ų67.918%0.17835%0.351CS..Hα-helixtrans-55.7-37.1172.3-74.3-167.9153.300112F108 R109 A112 V130 K138F108-E134 HydrophobicContact CD1-CG 4.24Å; F108-E134 HydrophobicContact CE1-CB 3.78Å; F108-E134 HydrophobicContact CE1-CG 3.67Å; F108-E134 HydrophobicContact CZ-CB 4.38Å; F108-E134 WeakPolarHBondContact CZ-O 3.37Å; R109-E134 WeakPolarHBondContact CG-OE1 3.21Å; A112-E134 HydrophobicContact CB-CG 3.84Å; V130-E134 HydrophobicContact CG1-CG 4.39Å; V130-E134 WeakPolarHBondContact O-CG 3.35Å; V130-E134 PolarHBondContact O-N 2.9Å; E134-K138 WeakPolarHBondContact O-CD 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.39Å; E134-K138 PolarHBondContact O-N 3.13Å
135K93.8Very high91.6Very high121 Ų12170.9 Ų70.953%0.52636%0.361SS..Hα-helixtrans-68.4-50.6173.3-172.8-174.8171.9-174.90111.1T131 M132 I133 M137 K138 D139T131-K135 PolarHBondContact O-N 3.2Å; M132-K135 WeakPolarHBondContact O-CB 3.43Å; M132-K135 PolarHBondContact O-N 3.14Å; M132-K135 VanDerWaalsContact O-N 3.15Å; I133-K135 PolarHBondContact O-N 3.39Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 2.83Å; K135-K138 WeakPolarHBondContact O-CA 3.35Å; K135-K138 WeakPolarHBondContact O-CB 3.31Å; K135-K138 PolarHBondContact O-N 3.23Å; K135-D139 VanDerWaalsContact O-CG 3.26Å; K135-D139 PolarHBondContact O-N 3.48Å
136M93Very high91.7Very high4 Ų472.4 Ų72.42%0.0238%0.381CS..Hα-helixtrans-59.1-38.1-179.7-61.9162.8100.900112.4Y128 M132 I133 D139 C140 L161 F167 I169Y128-M136 HydrophobicContact CD1-SD 4.28Å; Y128-M136 HydrophobicContact CE1-CE 4.14Å; Y128-M136 HydrophobicContact CE1-SD 4.28Å; M132-M136 HydrophobicContact CG-SD 4.1Å; M132-M136 VanDerWaalsContact O-CG 3.25Å; M132-M136 WeakPolarHBondContact O-CG 3.43Å; M132-M136 PolarHBondContact O-N 3.21Å; I133-M136 PolarHBondContact O-N 3.02Å; I133-M136 VanDerWaalsContact O-N 3.13Å; M136-D139 PolarHBondContact O-N 3.32Å; M136-C140 WeakPolarHBondContact O-CB 3.47Å; M136-C140 PolarHBondContact O-N 3.37Å; M136-C140 PolarHBondContact O-SG 2.94Å; M136-L161 HydrophobicContact CB-CD2 3.86Å; M136-F167 HydrophobicContact CB-CE1 4.39Å; M136-F167 HydrophobicContact CB-CZ 4.31Å; M136-F167 HydrophobicContact CE-CB 3.74Å; M136-F167 HydrophobicContact CE-CD1 3.34Å; M136-F167 HydrophobicContact CE-CE1 4.1Å; M136-F167 HydrophobicContact CE-CG 3.65Å; M136-F167 HydrophobicContact CG-CD1 4.03Å; M136-F167 HydrophobicContact CG-CE1 3.82Å; M136-F167 HydrophobicContact CG-CZ 4.22Å; M136-I169 HydrophobicContact CE-CD1 3.31Å; M136-I169 HydrophobicContact CE-CG1 3.8Å; M136-I169 HydrophobicContact SD-CD1 3.99Å
137M93.1Very high91.7Very high1 Ų171.7 Ų71.71%0.00539%0.391CS..Hα-helixtrans-66.5-33.1174.3-70.3175.36700113F108 V111 A112 I133 K135 H141 I142 L144 V157F108-M137 HydrophobicContact CD2-CE 3.85Å; F108-M137 HydrophobicContact CE2-CB 3.81Å; F108-M137 HydrophobicContact CE2-CE 3.73Å; F108-M137 HydrophobicContact CE2-SD 4.37Å; F108-M137 HydrophobicContact CZ-CB 3.79Å; F108-M137 HydrophobicContact CZ-CE 4.36Å; F108-M137 HydrophobicContact CZ-SD 4.43Å; V111-M137 HydrophobicContact CB-CE 4.27Å; V111-M137 HydrophobicContact CG1-CE 3.62Å; V111-M137 HydrophobicContact CG1-SD 4.27Å; A112-M137 HydrophobicContact CB-SD 4.05Å; I133-M137 HydrophobicContact CG2-CG 4.1Å; I133-M137 HydrophobicContact CG2-SD 3.78Å; I133-M137 WeakPolarHBondContact O-CB 3.32Å; I133-M137 VanDerWaalsContact O-CG 3.29Å; I133-M137 WeakPolarHBondContact O-CG 3.42Å; I133-M137 PolarHBondContact O-N 3Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 2.83Å; M137-H141 PolarHBondContact O-N 3.44Å; M137-I142 HydrophobicContact CB-CD1 4.44Å; M137-I142 HydrophobicContact CG-CD1 4.25Å; M137-I142 PolarHBondContact O-N 2.82Å; M137-I142 VanDerWaalsContact O-N 3.08Å; M137-L144 HydrophobicContact CE-CD1 3.99Å; M137-L144 HydrophobicContact CE-CD2 4.41Å; M137-V157 HydrophobicContact CE-CG1 4.41Å; M137-V157 HydrophobicContact CE-CG2 4.08Å; M137-V157 HydrophobicContact CG-CG1 3.97Å; M137-V157 HydrophobicContact SD-CG1 4.19Å
138K93Very high91.8Very high123 Ų12373 Ų7354%0.53539%0.389SS..Hα-helixtrans-72.8-44.4173.4-73.3165.1-174167.80111.4F108 E134 K135 C140 H141F108-K138 HydrophobicContact CZ-CG 4.06Å; E134-K138 WeakPolarHBondContact O-CD 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.39Å; E134-K138 PolarHBondContact O-N 3.13Å; K135-K138 WeakPolarHBondContact O-CA 3.35Å; K135-K138 WeakPolarHBondContact O-CB 3.31Å; K135-K138 PolarHBondContact O-N 3.23Å; K138-C140 VanDerWaalsContact C-N 3.29Å; K138-C140 PolarHBondContact O-N 3.45Å; K138-H141 WeakPolarHBondContact O-CA 3.43Å; K138-H141 PolarHBondContact O-N 3.3Å; K138-H141 PolarHBondContact O-ND1 2.98Å
139D92.1Very high91.9Very high84 Ų8474.8 Ų74.845%0.44941%0.406SS..Hα-helixtrans-63.3-35178.7-62.8-13.1000111.2K135 M136 H141 F167K135-D139 VanDerWaalsContact O-CG 3.26Å; K135-D139 PolarHBondContact O-N 3.48Å; M136-D139 PolarHBondContact O-N 3.32Å; D139-H141 VanDerWaalsContact C-N 3.3Å; D139-F167 HydrophobicContact CB-CE2 4.41Å; D139-F167 HydrophobicContact CB-CZ 3.93Å
140C88.9Confident91.9Very high38 Ų3871.7 Ų71.726%0.25739%0.39SS..THydrogen-bonded Turntrans-81.61.1171.6-720000114.7M136 K138 I142 L161 A164 F167M136-C140 WeakPolarHBondContact O-CB 3.47Å; M136-C140 PolarHBondContact O-N 3.37Å; M136-C140 PolarHBondContact O-SG 2.94Å; K138-C140 VanDerWaalsContact C-N 3.29Å; K138-C140 PolarHBondContact O-N 3.45Å; C140-I142 VanDerWaalsContact C-N 3.29Å; C140-I142 HydrophobicContact CB-CD1 4.03Å; C140-I142 HydrophobicContact CB-CG1 3.73Å; C140-I142 PolarHBondContact O-N 3.28Å; C140-L161 HydrophobicContact CB-CD2 4.5Å; C140-A164 VanDerWaalsContact SG-CB 3.58Å; C140-F167 VanDerWaalsContact SG-CE2 3.57Å
141H90.1Very high91.8Very high169 Ų16975.5 Ų75.578%0.78240%0.402SS*.THydrogen-bonded Turntrans48.642-177.7-63.2-55.1000115M137 K138 D139 S143M137-H141 PolarHBondContact O-N 3.44Å; K138-H141 WeakPolarHBondContact O-CA 3.43Å; K138-H141 PolarHBondContact O-N 3.3Å; K138-H141 PolarHBondContact O-ND1 2.98Å; D139-H141 VanDerWaalsContact C-N 3.3Å; H141-S143 PolarHBondContact O-N 3.38Å
142I88.4Confident91.7Very high23 Ų2375.7 Ų75.712%0.11840%0.396CS..  trans-72122-173.8-55.6179.5000111.5M137 C140 L144 V157 Q160 L161M137-I142 HydrophobicContact CB-CD1 4.44Å; M137-I142 HydrophobicContact CG-CD1 4.25Å; M137-I142 PolarHBondContact O-N 2.82Å; M137-I142 VanDerWaalsContact O-N 3.08Å; C140-I142 VanDerWaalsContact C-N 3.29Å; C140-I142 HydrophobicContact CB-CD1 4.03Å; C140-I142 HydrophobicContact CB-CG1 3.73Å; C140-I142 PolarHBondContact O-N 3.28Å; I142-L144 HydrophobicContact CG2-CD2 4.01Å; I142-V157 HydrophobicContact CD1-CB 4.37Å; I142-V157 HydrophobicContact CD1-CG1 3.98Å; I142-V157 HydrophobicContact CD1-CG2 4.09Å; I142-V157 HydrophobicContact CG2-CG2 4Å; I142-Q160 HydrophobicContact CD1-CB 4.26Å; I142-Q160 VanDerWaalsContact CG2-OE1 3.28Å; I142-L161 HydrophobicContact CD1-CD2 4.42Å; I142-L161 HydrophobicContact CD1-CG 4.42Å
143S89.1Confident91.8Very high100 Ų10072 Ų7270%0.69938%0.378SS*.  trans-95.2110.1179.5-168.90000112.2H141H141-S143 PolarHBondContact O-N 3.38Å
144L91.1Very high91.8Very high17 Ų1772 Ų729%0.08938%0.378CS..  trans-88.1127-178.9-55.4178000111.6L107 F108 V111 M137 I142 H153 V157L107-L144 HydrophobicContact CD2-CB 3.73Å; L107-L144 HydrophobicContact CD2-CD1 3.62Å; L107-L144 HydrophobicContact CD2-CG 4.2Å; F108-L144 HydrophobicContact CB-CD1 4.03Å; F108-L144 HydrophobicContact CD2-CD1 3.74Å; F108-L144 HydrophobicContact CG-CD1 4.31Å; V111-L144 HydrophobicContact CG2-CD1 4.5Å; M137-L144 HydrophobicContact CE-CD1 3.99Å; M137-L144 HydrophobicContact CE-CD2 4.41Å; I142-L144 HydrophobicContact CG2-CD2 4.01Å; L144-H153 HydrophobicContact CD2-CB 4.15Å; L144-V157 HydrophobicContact CD2-CG2 4.22Å
145K90.4Very high91.7Very high139 Ų13974.1 Ų74.160%0.60439%0.39SS*.  trans-96.3124.2-179.5-59.6-177.3-178.8-179.90111.6N147 K148 H153K145-N147 PolarHBondContact O-N 3.04Å; K145-K148 PolarHBondContact O-N 3.35Å; K145-H153 PolarHBondContact N-CE1 3.42Å; K145-H153 VanDerWaalsContact N-CE1 3.26Å; K145-H153 PolarHBondContact O-CE1 2.87Å; K145-H153 PolarHBondContact O-NE2 3.41Å
146A85.2Confident91.6Very high90 Ų9072 Ų7274%0.74438%0.382SS*.THydrogen-bonded Turntrans-58.3-21.9-179.100000115K148A146-K148 VanDerWaalsContact C-N 3.29Å; A146-K148 PolarHBondContact O-N 3.23Å
147N88.8Confident91.6Very high166 Ų16671.9 Ų71.989%0.88838%0.381SS*.THydrogen-bonded Turntrans-77.5-6.2-177.9-59.98.7000114.6K145K145-N147 PolarHBondContact O-N 3.04Å
148K91.7Very high91.6Very high66 Ų6672.5 Ų72.529%0.28738%0.384SS..SBendtrans-112.3146.6179.6-65-175.3-177.3-173.90110.6K145 A146 Q152 H153 E156K145-K148 PolarHBondContact O-N 3.35Å; A146-K148 VanDerWaalsContact C-N 3.29Å; A146-K148 PolarHBondContact O-N 3.23Å; K148-Q152 HydrophobicContact CB-CB 4.47Å; K148-H153 PolarHBondContact O-CD2 3.13Å; K148-H153 PolarHBondContact O-NE2 2.93Å; K148-E156 IonicContact NZ-OE1 3.11Å; K148-E156 PolarHBondContact NZ-OE1 3.45Å; K148-E156 IonicContact NZ-OE2 2.77Å; K148-E156 PolarHBondContact NZ-OE2 2.61Å
149S93.2Very high91.5Very high71 Ų7172.2 Ų72.250%0.49738%0.383SS..  trans-63.1144.9173.31740000111K151 Q152 H153S149-K151 PolarHBondContact O-N 3.49Å; S149-K151 VanDerWaalsContact O-N 3.13Å; S149-K151 PolarHBondContact OG-N 3.48Å; S149-Q152 WeakPolarHBondContact O-CB 3.28Å; S149-Q152 PolarHBondContact O-N 2.91Å; S149-H153 PolarHBondContact O-N 2.95Å; S149-H153 VanDerWaalsContact O-N 3.12Å
150A94.3Very high91.4Very high21 Ų2172.7 Ų72.717%0.17438%0.383CS..Hα-helixtrans-55.7-29.4174.600000112.7D110 V111 M114 Q152 H153 A154D110-A150 HydrophobicContact CB-CB 4.37Å; V111-A150 HydrophobicContact CG2-CB 3.92Å; M114-A150 HydrophobicContact CE-CB 3.41Å; M114-A150 VanDerWaalsContact CE-CB 3.41Å; M114-A150 WeakPolarHBondContact CE-O 3Å; A150-Q152 PolarHBondContact O-N 2.92Å; A150-H153 PolarHBondContact O-N 3.08Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 3.19Å
151K93.4Very high91.6Very high132 Ų13270.9 Ų70.957%0.57437%0.371SS*.Hα-helixtrans-66-34.4174-176.5173.6-179.5178.50112.8M114 S149M114-K151 HydrophobicContact SD-CB 4.32Å; S149-K151 PolarHBondContact O-N 3.49Å; S149-K151 VanDerWaalsContact O-N 3.13Å; S149-K151 PolarHBondContact OG-N 3.48Å
152Q94.6Very high91.5Very high102 Ų10267.5 Ų67.548%0.47735%0.351SS..Hα-helixtrans-72.8-45.1175.6-66.6171.5-27.700110.4K148 S149 A150 A154 L155 E156K148-Q152 HydrophobicContact CB-CB 4.47Å; S149-Q152 WeakPolarHBondContact O-CB 3.28Å; S149-Q152 PolarHBondContact O-N 2.91Å; A150-Q152 PolarHBondContact O-N 2.92Å; Q152-A154 VanDerWaalsContact C-N 3.31Å; Q152-A154 PolarHBondContact O-N 3.38Å; Q152-L155 PolarHBondContact O-N 3.41Å; Q152-L155 VanDerWaalsContact O-N 3.15Å; Q152-E156 PolarHBondContact O-N 3.07Å; Q152-E156 VanDerWaalsContact O-N 3.1Å
153H94.9Very high91.6Very high6 Ų671.4 Ų71.43%0.02838%0.38CS..Hα-helixtrans-56.5-43.5173.5-72.3-52.2000112.3V111 L144 K145 K148 S149 A150 L155 E156 V157V111-H153 HydrophobicContact CG1-CB 4.31Å; V111-H153 HydrophobicContact CG2-CB 3.57Å; L144-H153 HydrophobicContact CD2-CB 4.15Å; K145-H153 PolarHBondContact N-CE1 3.42Å; K145-H153 VanDerWaalsContact N-CE1 3.26Å; K145-H153 PolarHBondContact O-CE1 2.87Å; K145-H153 PolarHBondContact O-NE2 3.41Å; K148-H153 PolarHBondContact O-CD2 3.13Å; K148-H153 PolarHBondContact O-NE2 2.93Å; S149-H153 PolarHBondContact O-N 2.95Å; S149-H153 VanDerWaalsContact O-N 3.12Å; A150-H153 PolarHBondContact O-N 3.08Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 3.26Å; H153-E156 PolarHBondContact O-N 3.28Å; H153-E156 VanDerWaalsContact O-N 3.15Å; H153-V157 WeakPolarHBondContact O-CB 3.49Å; H153-V157 WeakPolarHBondContact O-CG2 3.41Å; H153-V157 PolarHBondContact O-N 3.47Å
154A94Very high91.5Very high0 Ų067.6 Ų67.60%036%0.355CS..Hα-helixtrans-57.4-39.9177.600000112.4M114 V115 A150 Q152 I158M114-A154 HydrophobicContact CB-CB 3.97Å; V115-A154 HydrophobicContact CG2-CB 4.16Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 3.19Å; Q152-A154 VanDerWaalsContact C-N 3.31Å; Q152-A154 PolarHBondContact O-N 3.38Å; A154-I158 WeakPolarHBondContact O-CB 3.47Å; A154-I158 WeakPolarHBondContact O-CD1 3.4Å; A154-I158 WeakPolarHBondContact O-CG1 3.36Å; A154-I158 PolarHBondContact O-N 3.11Å
155L91.7Very high90.9Very high84 Ų8473 Ų7344%0.4439%0.391SS..Hα-helixtrans-69.7-38.8176.5-64.3173.4000112.5Q152 H153 K159Q152-L155 PolarHBondContact O-N 3.41Å; Q152-L155 VanDerWaalsContact O-N 3.15Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 3.26Å; L155-K159 WeakPolarHBondContact O-CG 3.33Å; L155-K159 PolarHBondContact O-N 2.96Å
156E92.7Very high90.4Very high76 Ų7670 Ų7036%0.35540%0.399SS..Hα-helixtrans-66.5-41.8175.5-72.1171.2-147.400111.6K148 Q152 H153 K159 Q160K148-E156 IonicContact NZ-OE1 3.11Å; K148-E156 PolarHBondContact NZ-OE1 3.45Å; K148-E156 IonicContact NZ-OE2 2.77Å; K148-E156 PolarHBondContact NZ-OE2 2.61Å; Q152-E156 PolarHBondContact O-N 3.07Å; Q152-E156 VanDerWaalsContact O-N 3.1Å; H153-E156 PolarHBondContact O-N 3.28Å; H153-E156 VanDerWaalsContact O-N 3.15Å; E156-K159 PolarHBondContact O-N 3.24Å; E156-Q160 WeakPolarHBondContact O-CG 3.33Å; E156-Q160 PolarHBondContact O-N 3.31Å
157V93.5Very high90.3Very high1 Ų168.3 Ų68.31%0.00638%0.376CS..Hα-helixtrans-63.6-45.9176.3168.80000111.4V111 V115 M137 I142 L144 H153 K159 Q160 L161V111-V157 HydrophobicContact CG1-CB 4.4Å; V111-V157 HydrophobicContact CG1-CG2 3.85Å; V115-V157 HydrophobicContact CG2-CB 4.33Å; V115-V157 HydrophobicContact CG2-CG1 3.89Å; M137-V157 HydrophobicContact CE-CG1 4.41Å; M137-V157 HydrophobicContact CE-CG2 4.08Å; M137-V157 HydrophobicContact CG-CG1 3.97Å; M137-V157 HydrophobicContact SD-CG1 4.19Å; I142-V157 HydrophobicContact CD1-CB 4.37Å; I142-V157 HydrophobicContact CD1-CG1 3.98Å; I142-V157 HydrophobicContact CD1-CG2 4.09Å; I142-V157 HydrophobicContact CG2-CG2 4Å; L144-V157 HydrophobicContact CD2-CG2 4.22Å; H153-V157 WeakPolarHBondContact O-CB 3.49Å; H153-V157 WeakPolarHBondContact O-CG2 3.41Å; H153-V157 PolarHBondContact O-N 3.47Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 3Å; V157-Q160 PolarHBondContact O-N 3.26Å; V157-L161 HydrophobicContact CG1-CD1 3.53Å; V157-L161 HydrophobicContact CG1-CG 4.02Å; V157-L161 WeakPolarHBondContact O-CB 3.25Å; V157-L161 VanDerWaalsContact O-CG 3.27Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.88Å
158I92.1Very high90.2Very high14 Ų1465.3 Ų65.37%0.07235%0.354CS..Hα-helixtrans-58.4-41.4178-71.3165.3000110.9V115 R118 A154 R162V115-I158 HydrophobicContact CG1-CG1 4.24Å; V115-I158 HydrophobicContact CG2-CD1 4.48Å; V115-I158 HydrophobicContact CG2-CG1 4.09Å; R118-I158 HydrophobicContact CB-CD1 4.24Å; A154-I158 WeakPolarHBondContact O-CB 3.47Å; A154-I158 WeakPolarHBondContact O-CD1 3.4Å; A154-I158 WeakPolarHBondContact O-CG1 3.36Å; A154-I158 PolarHBondContact O-N 3.11Å; I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 PolarHBondContact O-N 3.05Å
159K90.6Very high90.1Very high117 Ų11762.7 Ų62.751%0.50934%0.343SS..Hα-helixtrans-66.3-44.8177.5-69.3177.1-177.9-169.40111.8L155 E156 V157 R162 S163 E219L155-K159 WeakPolarHBondContact O-CG 3.33Å; L155-K159 PolarHBondContact O-N 2.96Å; E156-K159 PolarHBondContact O-N 3.24Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 3Å; K159-R162 PolarHBondContact O-N 3.29Å; K159-S163 PolarHBondContact O-N 3.45Å; K159-S163 VanDerWaalsContact O-N 3.14Å; K159-S163 PolarHBondContact O-OG 2.95Å; K159-E219 WeakPolarHBondContact CE-OE1 3.23Å; K159-E219 IonicContact NZ-OE1 3.49Å
160Q91.6Very high89.8Confident95 Ų9560.1 Ų60.144%0.44433%0.327SS..Hα-helixtrans-63.5-43.7176.8-72.7173.3-6.700112.4I142 E156 V157 R162 S163 A164I142-Q160 HydrophobicContact CD1-CB 4.26Å; I142-Q160 VanDerWaalsContact CG2-OE1 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.33Å; E156-Q160 PolarHBondContact O-N 3.31Å; V157-Q160 PolarHBondContact O-N 3.26Å; Q160-R162 VanDerWaalsContact C-N 3.34Å; Q160-R162 PolarHBondContact O-N 3.02Å; Q160-S163 PolarHBondContact O-N 3.35Å; Q160-A164 PolarHBondContact O-N 3.47Å; Q160-A164 VanDerWaalsContact O-N 3.13Å
161L91.6Very high89.5Confident0 Ų059.8 Ų59.80%032%0.323CS..Hα-helixtrans-65.9-33.5177.8-71.6176.4000112.8V115 M136 C140 I142 V157 I169V115-L161 HydrophobicContact CG1-CD1 4.18Å; M136-L161 HydrophobicContact CB-CD2 3.86Å; C140-L161 HydrophobicContact CB-CD2 4.5Å; I142-L161 HydrophobicContact CD1-CD2 4.42Å; I142-L161 HydrophobicContact CD1-CG 4.42Å; V157-L161 HydrophobicContact CG1-CD1 3.53Å; V157-L161 HydrophobicContact CG1-CG 4.02Å; V157-L161 WeakPolarHBondContact O-CB 3.25Å; V157-L161 VanDerWaalsContact O-CG 3.27Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.88Å; L161-I169 HydrophobicContact CB-CD1 3.73Å; L161-I169 HydrophobicContact CD1-CD1 3.82Å; L161-I169 HydrophobicContact CD2-CD1 4.41Å; L161-I169 HydrophobicContact CG-CD1 4.2Å
162R89.8Confident89.2Confident97 Ų9754.8 Ų54.837%0.36631%0.305SS..Hα-helixtrans-71.2-30.6174-164.7-174-63.81635.5112.4I158 K159 Q160 E219I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 PolarHBondContact O-N 3.05Å; K159-R162 PolarHBondContact O-N 3.29Å; Q160-R162 VanDerWaalsContact C-N 3.34Å; Q160-R162 PolarHBondContact O-N 3.02Å; R162-E219 IonicContact CZ-OE2 2.61Å; R162-E219 IonicContact NH1-OE2 2.69Å; R162-E219 PolarHBondContact NH1-OE2 2.92Å; R162-E219 IonicContact NH2-OE2 2.75Å; R162-E219 PolarHBondContact NH2-OE2 2.82Å
163S89.3Confident88.9Confident105 Ų10552.7 Ų52.773%0.73430%0.295SS*.Hα-helixtrans-82.7-14.8176.9-62.20000114.4K159 Q160K159-S163 PolarHBondContact O-N 3.45Å; K159-S163 VanDerWaalsContact O-N 3.14Å; K159-S163 PolarHBondContact O-OG 2.95Å; Q160-S163 PolarHBondContact O-N 3.35Å
164A88.2Confident88.6Confident20 Ų2055.1 Ų55.117%0.16531%0.308CS..SBendtrans-81.6127.6-174.400000112.1C140 Q160 G166 F167C140-A164 VanDerWaalsContact SG-CB 3.58Å; Q160-A164 PolarHBondContact O-N 3.47Å; Q160-A164 VanDerWaalsContact O-N 3.13Å; A164-G166 PolarHBondContact O-N 2.84Å; A164-F167 HydrophobicContact CB-CD2 3.86Å; A164-F167 HydrophobicContact CB-CE2 4.45Å
165P77.5Confident88.4Confident132 Ų13257.5 Ų57.586%0.85732%0.319SS*.THydrogen-bonded Turntrans-66.6130-178.827.4-34000111.2
166G79.3Confident88.3Confident75 Ų7553.6 Ų53.677%0.77330%0.298SS*.THydrogen-bonded Turntrans104.2-15.3177.700000115.2A164A164-G166 PolarHBondContact O-N 2.84Å
167F84.3Confident88.3Confident55 Ų5551.4 Ų51.424%0.24129%0.289CS..  trans-101.8112.8179.8-61.5-48.3000112.5M136 D139 C140 A164 I169M136-F167 HydrophobicContact CB-CE1 4.39Å; M136-F167 HydrophobicContact CB-CZ 4.31Å; M136-F167 HydrophobicContact CE-CB 3.74Å; M136-F167 HydrophobicContact CE-CD1 3.34Å; M136-F167 HydrophobicContact CE-CE1 4.1Å; M136-F167 HydrophobicContact CE-CG 3.65Å; M136-F167 HydrophobicContact CG-CD1 4.03Å; M136-F167 HydrophobicContact CG-CE1 3.82Å; M136-F167 HydrophobicContact CG-CZ 4.22Å; D139-F167 HydrophobicContact CB-CE2 4.41Å; D139-F167 HydrophobicContact CB-CZ 3.93Å; C140-F167 VanDerWaalsContact SG-CE2 3.57Å; A164-F167 HydrophobicContact CB-CD2 3.86Å; A164-F167 HydrophobicContact CB-CE2 4.45Å; F167-I169 VanDerWaalsContact C-N 3.35Å; F167-I169 HydrophobicContact CB-CD1 4.49Å; F167-I169 PolarHBondContact O-N 2.95Å; F167-I169 VanDerWaalsContact O-N 3.11Å
168K85.5Confident88Confident102 Ų10251.3 Ų51.344%0.44329%0.288SS..  trans-85.670.2177.4-57.8-178.1-170.5174.20110.8P122 E123 Y128P122-K168 WeakPolarHBondContact CD-O 3.34Å; P122-K168 HydrophobicContact CG-CB 4.25Å; E123-K168 VanDerWaalsContact CD-CD 3.43Å; E123-K168 HydrophobicContact CG-CD 3.99Å; E123-K168 IonicContact OE1-NZ 2.61Å; E123-K168 PolarHBondContact OE1-NZ 3.11Å; E123-K168 VanDerWaalsContact OE2-CD 3.23Å; E123-K168 WeakPolarHBondContact OE2-CD 3.43Å; E123-K168 IonicContact OE2-NZ 2.69Å; E123-K168 PolarHBondContact OE2-NZ 3.13Å; Y128-K168 PolarHBondContact OH-O 3.26Å
169I90.1Very high87.9Confident11 Ų1151.6 Ų51.66%0.05629%0.291CS..  trans-102.6121.2177.5-72.9164.6000111C119 Y128 M136 L161 F167C119-I169 HydrophobicContact CB-CG2 3.89Å; Y128-I169 HydrophobicContact CD2-CG1 4.27Å; Y128-I169 HydrophobicContact CE2-CG1 3.63Å; M136-I169 HydrophobicContact CE-CD1 3.31Å; M136-I169 HydrophobicContact CE-CG1 3.8Å; M136-I169 HydrophobicContact SD-CD1 3.99Å; L161-I169 HydrophobicContact CB-CD1 3.73Å; L161-I169 HydrophobicContact CD1-CD1 3.82Å; L161-I169 HydrophobicContact CD2-CD1 4.41Å; L161-I169 HydrophobicContact CG-CD1 4.2Å; F167-I169 VanDerWaalsContact C-N 3.35Å; F167-I169 HydrophobicContact CB-CD1 4.49Å; F167-I169 PolarHBondContact O-N 2.95Å; F167-I169 VanDerWaalsContact O-N 3.11Å
170A87.9Confident87.7Confident18 Ų1846 Ų4615%0.14927%0.266CS..EExtended strand (participates in β ladder)trans-109.9151.1167.700000110.4C119 V120 P122C119-A170 WeakPolarHBondContact CA-O 3.36Å; V120-A170 HydrophobicContact CG2-CB 4.4Å; V120-A170 PolarHBondContact N-O 3.26Å; V120-A170 PolarHBondContact O-N 2.95Å; P122-A170 HydrophobicContact CB-CB 4.11Å; P122-A170 HydrophobicContact CG-CB 4.37Å
171P88Confident87.3Confident13 Ų1345.5 Ų45.58%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-64.7148.8166.631.7-33.6000109.4R118 M173 E217 P218R118-P171 CarbonylContact O-C 3.6Å; P171-M173 PolarHBondContact O-N 3.15Å; P171-E217 HydrophobicContact CG-CG 4.15Å; P171-P218 HydrophobicContact CB-CG 4.3Å
172S86.9Confident86.4Confident28 Ų2850.7 Ų50.720%0.19629%0.287CS..PPolyproline II helixtrans-64.5123.7168.2-169.40000108.2R118 P218R118-S172 PolarHBondContact O-N 3.23Å; S172-P218 WeakPolarHBondContact O-CD 3.44Å
173M87.9Confident85.4Confident58 Ų5853.1 Ų53.129%0.28631%0.307SS..PPolyproline II helixtrans-69.7155.4174.7-56.3-58.5173.600110.6P171 V215 E217P171-M173 PolarHBondContact O-N 3.15Å; M173-V215 HydrophobicContact CB-CG1 3.45Å; M173-V215 VanDerWaalsContact CB-CG1 3.45Å; M173-V215 HydrophobicContact CG-CG1 3.89Å; M173-E217 HydrophobicContact CE-CG 3.74Å; M173-E217 HydrophobicContact SD-CB 4.35Å; M173-E217 HydrophobicContact SD-CG 3.41Å; M173-E217 WeakPolarHBondContact SD-CG 3.29Å
174M88.1Confident84.3Confident57 Ų5751.3 Ų51.328%0.28129%0.294SS..EExtended strand (participates in β ladder)trans-113.2140.7172.4-64.1176.762.800109V176 V215 V216 P218 I240M174-V176 HydrophobicContact CB-CG2 4.3Å; M174-V215 WeakPolarHBondContact O-CA 3.23Å; M174-V216 PolarHBondContact N-O 3.28Å; M174-V216 PolarHBondContact O-N 2.95Å; M174-P218 HydrophobicContact SD-CB 3.85Å; M174-I240 HydrophobicContact CE-CD1 3.72Å; M174-I240 HydrophobicContact CE-CG1 4.04Å; M174-I240 HydrophobicContact CE-CG2 3.78Å
175E89.8Confident83.3Confident50 Ų5051.1 Ų51.123%0.23429%0.291CS..EExtended strand (participates in β ladder)trans-95.5123.3169.8-172.5170.1171.800108.2T213 V241E175-T213 HydrophobicContact CG-CG2 3.83Å; E175-T213 WeakPolarHBondContact OE1-CG2 3.03Å; E175-V241 HydrophobicContact CB-CB 4.16Å; E175-V241 HydrophobicContact CG-CB 4.14Å; E175-V241 HydrophobicContact CG-CG2 4.16Å; E175-V241 PolarHBondContact O-N 2.72Å
176V90.1Very high83.4Confident2 Ų253 Ų531%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-126.2124.5-173.1-174.30000108.3M174 I178 T213 A214 V216 Y221 I238M174-V176 HydrophobicContact CB-CG2 4.3Å; V176-I178 HydrophobicContact CG1-CD1 4.43Å; V176-I178 HydrophobicContact CG1-CG1 3.86Å; V176-T213 WeakPolarHBondContact O-CA 3.38Å; V176-A214 PolarHBondContact N-O 3.26Å; V176-A214 PolarHBondContact O-N 2.81Å; V176-V216 HydrophobicContact CG2-CB 4.45Å; V176-V216 HydrophobicContact CG2-CG2 4.4Å; V176-Y221 HydrophobicContact CG2-CD2 4.43Å; V176-I238 HydrophobicContact CG1-CG2 3.34Å
177N91.2Very high83.5Confident29 Ų2952.8 Ų52.816%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-92.8126.8168-177.923.3000108.8L212 E239 V241N177-L212 CarbonylContact C-O 3.58Å; N177-L212 WeakPolarHBondContact CA-O 3.46Å; N177-E239 HydrophobicContact CB-CB 4.32Å; N177-E239 PolarHBondContact N-O 3.29Å; N177-E239 PolarHBondContact O-N 2.92Å; N177-V241 HydrophobicContact CB-CG2 4.38Å
178I88.8Confident83.5Confident0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-122109.6-178.9-51.5176.3000107.8V176 I180 L192 L212 I224 L228V176-I178 HydrophobicContact CG1-CD1 4.43Å; V176-I178 HydrophobicContact CG1-CG1 3.86Å; I178-I180 HydrophobicContact CG2-CD1 4Å; I178-I180 HydrophobicContact CG2-CG1 4Å; I178-L192 HydrophobicContact CD1-CD2 4.34Å; I178-L212 HydrophobicContact CB-CB 4.43Å; I178-L212 PolarHBondContact N-O 3.38Å; I178-L212 PolarHBondContact O-N 3.21Å; I178-I224 HydrophobicContact CD1-CG2 3.89Å; I178-L228 HydrophobicContact CG2-CD1 3.83Å; I178-L228 HydrophobicContact CG2-CD2 4.28Å
179T88.8Confident83.3Confident19 Ų1946.6 Ų46.612%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-98.6129175.3-61.30000109.5L209 Y210 D211 Y236 S237T179-L209 HydrophobicContact CG2-CB 4.17Å; T179-L209 HydrophobicContact CG2-CD1 4.21Å; T179-L209 HydrophobicContact CG2-CD2 4.21Å; T179-L209 HydrophobicContact CG2-CG 4.43Å; T179-Y210 CarbonylContact C-O 3.57Å; T179-Y210 WeakPolarHBondContact CA-O 3.49Å; T179-D211 WeakPolarHBondContact CB-OD1 3.29Å; T179-D211 VanDerWaalsContact CG2-OD1 3.22Å; T179-D211 WeakPolarHBondContact CG2-OD1 3.42Å; T179-D211 PolarHBondContact OG1-OD1 2.75Å; T179-Y236 CarbonylContact O-C 3.57Å; T179-Y236 VanDerWaalsContact O-CA 3.29Å; T179-Y236 WeakPolarHBondContact O-CA 3.38Å; T179-S237 WeakPolarHBondContact CB-OG 3.33Å; T179-S237 PolarHBondContact N-O 3.08Å; T179-S237 PolarHBondContact O-N 3.45Å
180I86.8Confident83.1Confident0 Ų052.1 Ų52.10%027%0.271CS..EExtended strand (participates in β ladder)trans-130.3139.3-175.2-64.8167.7000109.8I178 V188 L192 Y210 L228 I232I178-I180 HydrophobicContact CG2-CD1 4Å; I178-I180 HydrophobicContact CG2-CG1 4Å; I180-V188 HydrophobicContact CD1-CG1 4.21Å; I180-L192 HydrophobicContact CD1-CD1 3.77Å; I180-Y210 PolarHBondContact N-O 3.26Å; I180-Y210 PolarHBondContact O-N 3.1Å; I180-L228 HydrophobicContact CD1-CD2 3.89Å; I180-L228 HydrophobicContact CG1-CD2 4.26Å; I180-I232 HydrophobicContact CD1-CD1 4.25Å; I180-I232 HydrophobicContact CG1-CD1 4.17Å; I180-I232 HydrophobicContact CG2-CD1 3.58Å
181Q82.9Confident82.9Confident85 Ų8557.1 Ų57.140%0.39729%0.286SS..EExtended strand (participates in β ladder)trans-71.8136.4171.5-67.6-172.2-23.400111.9D183 L209 H235Q181-D183 PolarHBondContact O-N 3.38Å; Q181-L209 HydrophobicContact CG-CD2 3.89Å; Q181-H235 HydrophobicContact CB-CB 4.43Å; Q181-H235 HydrophobicContact CG-CB 4.33Å; Q181-H235 PolarHBondContact N-O 2.72Å; Q181-H235 PolarHBondContact OE1-ND1 2.98Å
182K73.3Confident82.8Confident108 Ų10856.6 Ų56.647%0.4728%0.282SS..G310 helixtrans-56.7-24.2-167.7-172.9157-178149.80115.8S184 C185 E204 G208K182-S184 PolarHBondContact O-N 2.9Å; K182-C185 VanDerWaalsContact CA-SG 3.59Å; K182-C185 PolarHBondContact O-N 3.3Å; K182-E204 IonicContact NZ-OE2 2.71Å; K182-E204 PolarHBondContact NZ-OE2 3.41Å; K182-G208 VanDerWaalsContact CB-O 3.22Å; K182-G208 WeakPolarHBondContact CB-O 3.41Å; K182-G208 PolarHBondContact N-O 3.03Å
183D69.2Low82.7Confident149 Ų14958.3 Ų58.380%0.79729%0.289SS*.G310 helixtrans-61.5-17.5-168.3-62.6-31.7000115.7Q181Q181-D183 PolarHBondContact O-N 3.38Å
184S66.6Low82.6Confident67 Ų6762.9 Ų62.947%0.46931%0.31SS..G310 helixtrans-136.415.5179.8-68.30000115.1K182 K186 V188K182-S184 PolarHBondContact O-N 2.9Å; S184-K186 PolarHBondContact O-N 2.95Å; S184-V188 WeakPolarHBondContact O-CG2 3.49Å
185C66.9Low82.4Confident15 Ų1562.1 Ų62.110%0.10131%0.306CS..Hα-helixtrans-55.8-44.7-164.7-83.20000117.1K182 V188 I189K182-C185 VanDerWaalsContact CA-SG 3.59Å; K182-C185 PolarHBondContact O-N 3.3Å; C185-V188 PolarHBondContact O-N 3.14Å; C185-I189 HydrophobicContact CB-CD1 3.67Å; C185-I189 WeakPolarHBondContact O-CD1 3.37Å; C185-I189 VanDerWaalsContact O-CG1 3.23Å; C185-I189 WeakPolarHBondContact O-CG1 3.39Å; C185-I189 PolarHBondContact O-N 3.42Å
186K78.3Confident82Confident171 Ų17160.3 Ų60.374%0.74330%0.3SS*.Hα-helixtrans-57.3-57.3-162.8-63.6-174.4-179.2-177.40115.8S184 V188 I189 E190S184-K186 PolarHBondContact O-N 2.95Å; K186-V188 VanDerWaalsContact C-N 3.28Å; K186-V188 PolarHBondContact O-N 3.45Å; K186-I189 PolarHBondContact O-N 3.22Å; K186-E190 PolarHBondContact O-N 3.28Å
187P82.3Confident81.6Confident72 Ų7263 Ų6347%0.46831%0.314SS..Hα-helixtrans-67.6-29.8-178.128-35.9000112.9R191P187-R191 WeakPolarHBondContact O-CG 3.5Å; P187-R191 PolarHBondContact O-N 2.84Å
188V83.2Confident81.2Confident3 Ų365.9 Ų65.92%0.01833%0.329CS..Hα-helixtrans-67.2-49.6178.9-171.70000109.5I180 S184 C185 K186 E190 R191 L192 L228 E231 I232I180-V188 HydrophobicContact CD1-CG1 4.21Å; S184-V188 WeakPolarHBondContact O-CG2 3.49Å; C185-V188 PolarHBondContact O-N 3.14Å; K186-V188 VanDerWaalsContact C-N 3.28Å; K186-V188 PolarHBondContact O-N 3.45Å; V188-E190 PolarHBondContact O-N 2.97Å; V188-R191 PolarHBondContact O-N 2.9Å; V188-R191 VanDerWaalsContact O-N 3.1Å; V188-L192 HydrophobicContact CG1-CD1 3.95Å; V188-L192 HydrophobicContact CG1-CG 4.25Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 2.94Å; V188-L228 HydrophobicContact CG1-CD2 3.93Å; V188-E231 WeakPolarHBondContact CA-OE2 3.22Å; V188-E231 HydrophobicContact CG2-CB 4.09Å; V188-E231 VanDerWaalsContact CG2-OE2 3.29Å; V188-E231 WeakPolarHBondContact CG2-OE2 3.33Å; V188-I232 HydrophobicContact CB-CD1 4.33Å; V188-I232 HydrophobicContact CG1-CD1 3.79Å; V188-I232 HydrophobicContact CG2-CD1 3.85Å; V188-I232 HydrophobicContact CG2-CG1 4.08Å
189I82.8Confident81Confident23 Ų2369.9 Ų69.912%0.11835%0.35CS..Hα-helixtrans-57.8-47.6-179.8-69.1163.8000110.5C185 K186 R191 L192 L193 Y210C185-I189 HydrophobicContact CB-CD1 3.67Å; C185-I189 WeakPolarHBondContact O-CD1 3.37Å; C185-I189 VanDerWaalsContact O-CG1 3.23Å; C185-I189 WeakPolarHBondContact O-CG1 3.39Å; C185-I189 PolarHBondContact O-N 3.42Å; K186-I189 PolarHBondContact O-N 3.22Å; I189-R191 PolarHBondContact O-N 2.72Å; I189-L192 PolarHBondContact O-N 3.3Å; I189-L192 VanDerWaalsContact O-N 3.14Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 WeakPolarHBondContact O-CG 3.36Å; I189-L193 PolarHBondContact O-N 3.31Å; I189-Y210 HydrophobicContact CD1-CD1 3.75Å; I189-Y210 HydrophobicContact CD1-CD2 3.9Å; I189-Y210 HydrophobicContact CD1-CE1 3.47Å; I189-Y210 VanDerWaalsContact CD1-CE1 3.47Å; I189-Y210 HydrophobicContact CD1-CE2 3.68Å; I189-Y210 HydrophobicContact CD1-CG 3.96Å; I189-Y210 VanDerWaalsContact CD1-CZ 3.46Å; I189-Y210 HydrophobicContact CG1-CD1 4.03Å; I189-Y210 HydrophobicContact CG1-CE1 3.59Å
190E85.1Confident80.8Confident127 Ų12772.6 Ų72.659%0.59337%0.366SS*.Hα-helixtrans-56.5-36.3177.8-71.7177.1-166.400113.1K186 V188 Q194K186-E190 PolarHBondContact O-N 3.28Å; V188-E190 PolarHBondContact O-N 2.97Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-NE2 3.05Å
191R84.8Confident80.6Confident123 Ų12377.9 Ų77.946%0.46439%0.391SS..Hα-helixtrans-76.9-38.1176.6-68175.3179-159.910.5112.9P187 V188 I189 Q194 L195 L227 E231P187-R191 WeakPolarHBondContact O-CG 3.5Å; P187-R191 PolarHBondContact O-N 2.84Å; V188-R191 PolarHBondContact O-N 2.9Å; V188-R191 VanDerWaalsContact O-N 3.1Å; I189-R191 PolarHBondContact O-N 2.72Å; R191-Q194 PolarHBondContact O-N 3.24Å; R191-L195 PolarHBondContact O-N 2.99Å; R191-L227 HydrophobicContact CB-CD1 4.22Å; R191-E231 WeakPolarHBondContact CD-OE1 3.45Å; R191-E231 IonicContact CZ-OE1 3.24Å; R191-E231 IonicContact NE-OE1 3Å; R191-E231 PolarHBondContact NE-OE1 2.89Å; R191-E231 IonicContact NH1-OE1 3.62Å; R191-E231 PolarHBondContact NH1-OE1 2.75Å
192L85.2Confident80.7Confident2 Ų278.4 Ų78.41%0.0139%0.393CS..Hα-helixtrans-62.6-44.1174.6-68.5173.9000111I178 I180 V188 I189 Q194 L195 C196 L212 I224 L228I178-L192 HydrophobicContact CD1-CD2 4.34Å; I180-L192 HydrophobicContact CD1-CD1 3.77Å; V188-L192 HydrophobicContact CG1-CD1 3.95Å; V188-L192 HydrophobicContact CG1-CG 4.25Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 2.94Å; I189-L192 PolarHBondContact O-N 3.3Å; I189-L192 VanDerWaalsContact O-N 3.14Å; L192-Q194 PolarHBondContact O-N 3.43Å; L192-L195 PolarHBondContact O-N 3.38Å; L192-C196 PolarHBondContact O-N 2.76Å; L192-C196 PolarHBondContact O-SG 2.93Å; L192-L212 HydrophobicContact CB-CD2 4.16Å; L192-L212 HydrophobicContact CD1-CD2 4.09Å; L192-I224 HydrophobicContact CD2-CB 4.39Å; L192-I224 HydrophobicContact CD2-CG1 4.28Å; L192-I224 HydrophobicContact CD2-CG2 3.67Å; L192-L228 HydrophobicContact CD1-CD2 4.19Å; L192-L228 HydrophobicContact CD2-CD2 4.44Å; L192-L228 HydrophobicContact CD2-CG 4.37Å
193L83.8Confident81.1Confident65 Ų6575 Ų7534%0.3438%0.383SS..Hα-helixtrans-59.6-29.1177.3-67.3170.4000113.1I189 I199I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 WeakPolarHBondContact O-CG 3.36Å; I189-L193 PolarHBondContact O-N 3.31Å; L193-I199 HydrophobicContact CD2-CD1 3.32Å; L193-I199 HydrophobicContact CD2-CG1 3.98Å
194Q86.7Confident81.7Confident154 Ų15474.1 Ų74.172%0.7237%0.374SS*.Hα-helixtrans-76.1-22.2174.5-68.6168.623.600113.5E190 R191 L192E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-NE2 3.05Å; R191-Q194 PolarHBondContact O-N 3.24Å; L192-Q194 PolarHBondContact O-N 3.43Å
195L83.4Confident82.2Confident40 Ų4073.1 Ų73.121%0.20937%0.367CS..Hα-helixtrans-92.7-37178.7-66.8-176.5000112.5R191 L192 K220 I224 L227R191-L195 PolarHBondContact O-N 2.99Å; L192-L195 PolarHBondContact O-N 3.38Å; L195-K220 WeakPolarHBondContact O-CD 3.18Å; L195-K220 WeakPolarHBondContact O-CE 3Å; L195-K220 PolarHBondContact O-NZ 2.65Å; L195-I224 HydrophobicContact CB-CD1 4.25Å; L195-I224 HydrophobicContact CB-CG1 4.01Å; L195-I224 HydrophobicContact CD1-CG1 3.62Å; L195-I224 HydrophobicContact CG-CG1 4.49Å; L195-L227 HydrophobicContact CD1-CD1 3.55Å
196C82.7Confident82.6Confident13 Ų1378 Ų789%0.08840%0.402CS..  trans-63.4151.4176.6-62.40000112L192 A214L192-C196 PolarHBondContact O-N 2.76Å; L192-C196 PolarHBondContact O-SG 2.93Å; C196-A214 HydrophobicContact CB-CB 4Å; C196-A214 WeakPolarHBondContact SG-CB 3.45Å
197N80.9Confident82.2Confident59 Ų5976.3 Ų76.332%0.31640%0.4SS..SBendtrans-92-53.9175.4-72.924.2000110.1V215 E217 K220N197-V215 PolarHBondContact N-O 3.4Å; N197-E217 PolarHBondContact ND2-OE1 2.97Å; N197-K220 PolarHBondContact OD1-NZ 2.89Å
198D82.7Confident82.1Confident89 Ų8974.1 Ų74.148%0.47639%0.391SS..EExtended strand (participates in β ladder)trans-128.1154.6175.5-60.2-62.7000109.9V215D198-V215 HydrophobicContact CB-CB 4.12Å; D198-V215 HydrophobicContact CB-CG2 4.32Å; D198-V215 PolarHBondContact N-O 3.39Å; D198-V215 PolarHBondContact O-N 3Å
199I85.2Confident82.1Confident84 Ų8476.8 Ų76.843%0.43141%0.405SS..EExtended strand (participates in β ladder)trans-115.9123.8177.9-58.2143.5000107.6L193 Q202 L212L193-I199 HydrophobicContact CD2-CD1 3.32Å; L193-I199 HydrophobicContact CD2-CG1 3.98Å; I199-Q202 HydrophobicContact CG2-CG 3.86Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å
200V84Confident82.3Confident76 Ų7676.4 Ų76.446%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-85.8-47.6-179.5-174.50000110.2T213 V215V200-T213 HydrophobicContact CB-CG2 4.01Å; V200-T213 HydrophobicContact CG2-CG2 4.34Å; V200-T213 PolarHBondContact N-O 2.78Å; V200-V215 HydrophobicContact CG2-CG2 3.74Å
201Q83.1Confident82.5Confident110 Ų11071.6 Ų71.651%0.51438%0.381SS..EExtended strand (participates in β ladder)trans-152.9145.6-175.6-175.1169.8-32.300111.1S203 T213Q201-S203 PolarHBondContact NE2-OG 2.98Å; Q201-T213 PolarHBondContact N-O 3.03Å; Q201-T213 PolarHBondContact O-N 2.61Å
202Q83.8Confident82.6Confident96 Ų9665.8 Ų65.845%0.44936%0.359SS..EExtended strand (participates in β ladder)trans-128.8128.3165.4-66.5-179.74.400107.5I199 Y210 D211 L212I199-Q202 HydrophobicContact CG2-CG 3.86Å; Q202-Y210 WeakPolarHBondContact CG-OH 3.21Å; Q202-Y210 PolarHBondContact OE1-OH 2.91Å; Q202-D211 WeakPolarHBondContact CA-O 3.43Å; Q202-L212 HydrophobicContact CG-CD1 3.7Å
203S82.1Confident82.9Confident37 Ų3766.7 Ų66.726%0.25936%0.364SS..EExtended strand (participates in β ladder)trans-136.6127174.930.60000111Q201 D211Q201-S203 PolarHBondContact NE2-OG 2.98Å; S203-D211 PolarHBondContact N-O 2.95Å; S203-D211 PolarHBondContact O-N 3.29Å
204E81.9Confident83.1Confident131 Ų13163.6 Ų63.661%0.61235%0.348SS*.EExtended strand (participates in β ladder)trans-88.1105.6162.9-78.2-170.8-140.700108.1K182 Y210K182-E204 IonicContact NZ-OE2 2.71Å; K182-E204 PolarHBondContact NZ-OE2 3.41Å; E204-Y210 HydrophobicContact CG-CD2 3.72Å; E204-Y210 HydrophobicContact CG-CE2 4.27Å
205S77.6Confident83.3Confident45 Ų4556.9 Ų56.932%0.31532%0.317SS..EExtended strand (participates in β ladder)trans-70143.6173-70.70000109.6D207 G208 L209 D211S205-D207 PolarHBondContact O-N 3.31Å; S205-G208 PolarHBondContact O-N 2.84Å; S205-L209 PolarHBondContact N-O 3.17Å; S205-D211 PolarHBondContact OG-OD2 2.96Å
206S74.5Confident83.5Confident119 Ų11955 Ų5583%0.83231%0.308SS*.THydrogen-bonded Turntrans-52.7-26.3179.142.90000113.4G208S206-G208 PolarHBondContact O-N 3.17Å
207D71.2Confident83.7Confident134 Ų13456.4 Ų56.472%0.71731%0.313SS*.THydrogen-bonded Turntrans-86.49.2-167.3-51.7-6.7000112.4S205S205-D207 PolarHBondContact O-N 3.31Å
208G79.4Confident84Confident26 Ų2656.4 Ų56.427%0.26832%0.317SS..THydrogen-bonded Turntrans84.523.9178.400000114.3K182 S205 S206K182-G208 VanDerWaalsContact CB-O 3.22Å; K182-G208 WeakPolarHBondContact CB-O 3.41Å; K182-G208 PolarHBondContact N-O 3.03Å; S205-G208 PolarHBondContact O-N 2.84Å; S206-G208 PolarHBondContact O-N 3.17Å
209L84.2Confident84.1Confident60 Ų6056.4 Ų56.431%0.31431%0.314SS..EExtended strand (participates in β ladder)trans-111.6140.4175.5-60.6176.6000110.5T179 Q181 S205T179-L209 HydrophobicContact CG2-CB 4.17Å; T179-L209 HydrophobicContact CG2-CD1 4.21Å; T179-L209 HydrophobicContact CG2-CD2 4.21Å; T179-L209 HydrophobicContact CG2-CG 4.43Å; Q181-L209 HydrophobicContact CG-CD2 3.89Å; S205-L209 PolarHBondContact N-O 3.17Å
210Y86.2Confident84.2Confident14 Ų1455 Ų556%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-109.9115.2172.7-178.7-90.7000108.9T179 I180 I189 Q202 E204 L212T179-Y210 CarbonylContact C-O 3.57Å; T179-Y210 WeakPolarHBondContact CA-O 3.49Å; I180-Y210 PolarHBondContact N-O 3.26Å; I180-Y210 PolarHBondContact O-N 3.1Å; I189-Y210 HydrophobicContact CD1-CD1 3.75Å; I189-Y210 HydrophobicContact CD1-CD2 3.9Å; I189-Y210 HydrophobicContact CD1-CE1 3.47Å; I189-Y210 VanDerWaalsContact CD1-CE1 3.47Å; I189-Y210 HydrophobicContact CD1-CE2 3.68Å; I189-Y210 HydrophobicContact CD1-CG 3.96Å; I189-Y210 VanDerWaalsContact CD1-CZ 3.46Å; I189-Y210 HydrophobicContact CG1-CD1 4.03Å; I189-Y210 HydrophobicContact CG1-CE1 3.59Å; Q202-Y210 WeakPolarHBondContact CG-OH 3.21Å; Q202-Y210 PolarHBondContact OE1-OH 2.91Å; E204-Y210 HydrophobicContact CG-CD2 3.72Å; E204-Y210 HydrophobicContact CG-CE2 4.27Å; Y210-L212 HydrophobicContact CD1-CB 4.41Å; Y210-L212 HydrophobicContact CE1-CB 3.87Å
211D88.7Confident84.4Confident27 Ų2754 Ų5414%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-105.1123.7-178.6-57.6-56.6000110T179 Q202 S203 S205T179-D211 WeakPolarHBondContact CB-OD1 3.29Å; T179-D211 VanDerWaalsContact CG2-OD1 3.22Å; T179-D211 WeakPolarHBondContact CG2-OD1 3.42Å; T179-D211 PolarHBondContact OG1-OD1 2.75Å; Q202-D211 WeakPolarHBondContact CA-O 3.43Å; S203-D211 PolarHBondContact N-O 2.95Å; S203-D211 PolarHBondContact O-N 3.29Å; S205-D211 PolarHBondContact OG-OD2 2.96Å
212L87.6Confident84.7Confident0 Ų050.4 Ų50.40%029%0.285CS..EExtended strand (participates in β ladder)trans-123.6107.3-179.2173.566000110.5N177 I178 L192 I199 Q202 Y210 A214N177-L212 CarbonylContact C-O 3.58Å; N177-L212 WeakPolarHBondContact CA-O 3.46Å; I178-L212 HydrophobicContact CB-CB 4.43Å; I178-L212 PolarHBondContact N-O 3.38Å; I178-L212 PolarHBondContact O-N 3.21Å; L192-L212 HydrophobicContact CB-CD2 4.16Å; L192-L212 HydrophobicContact CD1-CD2 4.09Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å; Q202-L212 HydrophobicContact CG-CD1 3.7Å; Y210-L212 HydrophobicContact CD1-CB 4.41Å; Y210-L212 HydrophobicContact CE1-CB 3.87Å; L212-A214 HydrophobicContact CG-CB 4.38Å
213T90.4Very high85Confident21 Ų2148.9 Ų48.913%0.12929%0.285CS..EExtended strand (participates in β ladder)trans-94.3114.2170.8-48.80000109.3E175 V176 V200 Q201E175-T213 HydrophobicContact CG-CG2 3.83Å; E175-T213 WeakPolarHBondContact OE1-CG2 3.03Å; V176-T213 WeakPolarHBondContact O-CA 3.38Å; V200-T213 HydrophobicContact CB-CG2 4.01Å; V200-T213 HydrophobicContact CG2-CG2 4.34Å; V200-T213 PolarHBondContact N-O 2.78Å; Q201-T213 PolarHBondContact N-O 3.03Å; Q201-T213 PolarHBondContact O-N 2.61Å
214A89.4Confident85.3Confident0 Ų047.3 Ų47.30%027%0.274CS..EExtended strand (participates in β ladder)trans-133.8151-175.500000113.1V176 C196 L212 V216V176-A214 PolarHBondContact N-O 3.26Å; V176-A214 PolarHBondContact O-N 2.81Å; C196-A214 HydrophobicContact CB-CB 4Å; C196-A214 WeakPolarHBondContact SG-CB 3.45Å; L212-A214 HydrophobicContact CG-CB 4.38Å; A214-V216 HydrophobicContact CB-CG2 4.29Å
215V89.5Confident85.7Confident13 Ų1345.4 Ų45.48%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-93.9119.3175-176.30000108.7M173 M174 N197 D198 V200M173-V215 HydrophobicContact CB-CG1 3.45Å; M173-V215 VanDerWaalsContact CB-CG1 3.45Å; M173-V215 HydrophobicContact CG-CG1 3.89Å; M174-V215 WeakPolarHBondContact O-CA 3.23Å; N197-V215 PolarHBondContact N-O 3.4Å; D198-V215 HydrophobicContact CB-CB 4.12Å; D198-V215 HydrophobicContact CB-CG2 4.32Å; D198-V215 PolarHBondContact N-O 3.39Å; D198-V215 PolarHBondContact O-N 3Å; V200-V215 HydrophobicContact CG2-CG2 3.74Å
216V89.5Confident86.3Confident2 Ų247 Ų471%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-130.1142.2-168.3-173.70000110.8M174 V176 A214 K220 I224M174-V216 PolarHBondContact N-O 3.28Å; M174-V216 PolarHBondContact O-N 2.95Å; V176-V216 HydrophobicContact CG2-CB 4.45Å; V176-V216 HydrophobicContact CG2-CG2 4.4Å; A214-V216 HydrophobicContact CB-CG2 4.29Å; V216-K220 HydrophobicContact CG1-CB 4.13Å; V216-I224 HydrophobicContact CB-CD1 4.49Å; V216-I224 HydrophobicContact CG1-CD1 3.6Å; V216-I224 HydrophobicContact CG2-CD1 4.02Å
217E87Confident87Confident41 Ų4143.5 Ų43.519%0.19225%0.245CC..  trans-72.1136.2169.2-76.1174.6-15500111.6P171 M173 N197 E219 K220 Y221P171-E217 HydrophobicContact CG-CG 4.15Å; M173-E217 HydrophobicContact CE-CG 3.74Å; M173-E217 HydrophobicContact SD-CB 4.35Å; M173-E217 HydrophobicContact SD-CG 3.41Å; M173-E217 WeakPolarHBondContact SD-CG 3.29Å; N197-E217 PolarHBondContact ND2-OE1 2.97Å; E217-E219 PolarHBondContact O-N 3.3Å; E217-K220 HydrophobicContact CB-CD 4.3Å; E217-K220 HydrophobicContact CB-CG 4.19Å; E217-K220 PolarHBondContact O-N 2.85Å; E217-Y221 PolarHBondContact O-N 3.43Å
218P86Confident87.7Confident60 Ų6037.1 Ų37.139%0.3921%0.211SC..THydrogen-bonded Turntrans-60.6-22.4-179.323-34.1000114P171 S172 M174 K220P171-P218 HydrophobicContact CB-CG 4.3Å; S172-P218 WeakPolarHBondContact O-CD 3.44Å; M174-P218 HydrophobicContact SD-CB 3.85Å; P218-K220 VanDerWaalsContact C-N 3.31Å
219E84.9Confident88.1Confident89 Ų8941.5 Ų41.542%0.41622%0.224SC..THydrogen-bonded Turntrans-70.9-25.1174.2-62.5-169.5109.900112.5K159 R162 E217K159-E219 WeakPolarHBondContact CE-OE1 3.23Å; K159-E219 IonicContact NZ-OE1 3.49Å; R162-E219 IonicContact CZ-OE2 2.61Å; R162-E219 IonicContact NH1-OE2 2.69Å; R162-E219 PolarHBondContact NH1-OE2 2.92Å; R162-E219 IonicContact NH2-OE2 2.75Å; R162-E219 PolarHBondContact NH2-OE2 2.82Å; E217-E219 PolarHBondContact O-N 3.3Å
220K86.7Confident88.2Confident53 Ų5344 Ų4423%0.2324%0.237CC..THydrogen-bonded Turntrans-91.2-18.8-178.3-59.9-178.2-176.4175.40113.7L195 N197 V216 E217 P218 G222 S223 I224L195-K220 WeakPolarHBondContact O-CD 3.18Å; L195-K220 WeakPolarHBondContact O-CE 3Å; L195-K220 PolarHBondContact O-NZ 2.65Å; N197-K220 PolarHBondContact OD1-NZ 2.89Å; V216-K220 HydrophobicContact CG1-CB 4.13Å; E217-K220 HydrophobicContact CB-CD 4.3Å; E217-K220 HydrophobicContact CB-CG 4.19Å; E217-K220 PolarHBondContact O-N 2.85Å; P218-K220 VanDerWaalsContact C-N 3.31Å; K220-G222 VanDerWaalsContact C-N 3.34Å; K220-G222 PolarHBondContact O-N 2.89Å; K220-S223 WeakPolarHBondContact O-CA 3.47Å; K220-S223 VanDerWaalsContact O-CB 3.31Å; K220-S223 WeakPolarHBondContact O-CB 3.43Å; K220-S223 PolarHBondContact O-N 2.94Å; K220-I224 PolarHBondContact O-N 3.45Å; K220-I224 VanDerWaalsContact O-N 3.11Å
221Y89.3Confident88.1Confident56 Ų5646 Ų4622%0.2225%0.247CC..Hα-helixtrans-51.1-48.3-177.3179.7-86.3000112.9V176 E217 S223 I224 E225 I238 I240V176-Y221 HydrophobicContact CG2-CD2 4.43Å; E217-Y221 PolarHBondContact O-N 3.43Å; Y221-S223 PolarHBondContact O-N 2.83Å; Y221-I224 WeakPolarHBondContact O-CB 3.46Å; Y221-I224 PolarHBondContact O-N 2.97Å; Y221-I224 VanDerWaalsContact O-N 3.08Å; Y221-E225 PolarHBondContact O-N 2.82Å; Y221-I238 HydrophobicContact CE2-CG2 3.95Å; Y221-I240 HydrophobicContact CE2-CD1 4.37Å; Y221-I240 HydrophobicContact CE2-CG1 4.35Å
222G88.3Confident87.6Confident35 Ų3545.2 Ų45.236%0.36124%0.243SC..Hα-helixtrans-64.7-26.217900000113.9K220 T226K220-G222 VanDerWaalsContact C-N 3.34Å; K220-G222 PolarHBondContact O-N 2.89Å; G222-T226 VanDerWaalsContact O-CB 3.32Å; G222-T226 WeakPolarHBondContact O-CB 3.45Å; G222-T226 PolarHBondContact O-N 2.94Å; G222-T226 VanDerWaalsContact O-N 3.07Å; G222-T226 PolarHBondContact O-OG1 2.91Å
223S90.2Very high87.1Confident63 Ų6354 Ų5444%0.44128%0.281SS..Hα-helixtrans-72.6-40.4172.4-570000111.3K220 Y221 T226 L227K220-S223 WeakPolarHBondContact O-CA 3.47Å; K220-S223 VanDerWaalsContact O-CB 3.31Å; K220-S223 WeakPolarHBondContact O-CB 3.43Å; K220-S223 PolarHBondContact O-N 2.94Å; Y221-S223 PolarHBondContact O-N 2.83Å; S223-T226 PolarHBondContact O-N 2.96Å; S223-L227 WeakPolarHBondContact O-CG 3.44Å; S223-L227 PolarHBondContact O-N 3.45Å
224I89.3Confident86.4Confident4 Ų455.6 Ų55.62%0.02130%0.302CS..Hα-helixtrans-61.5-50.1174.6-70.1175.1000110.6I178 L192 L195 V216 K220 Y221 T226 L227 L228I178-I224 HydrophobicContact CD1-CG2 3.89Å; L192-I224 HydrophobicContact CD2-CB 4.39Å; L192-I224 HydrophobicContact CD2-CG1 4.28Å; L192-I224 HydrophobicContact CD2-CG2 3.67Å; L195-I224 HydrophobicContact CB-CD1 4.25Å; L195-I224 HydrophobicContact CB-CG1 4.01Å; L195-I224 HydrophobicContact CD1-CG1 3.62Å; L195-I224 HydrophobicContact CG-CG1 4.49Å; V216-I224 HydrophobicContact CB-CD1 4.49Å; V216-I224 HydrophobicContact CG1-CD1 3.6Å; V216-I224 HydrophobicContact CG2-CD1 4.02Å; K220-I224 PolarHBondContact O-N 3.45Å; K220-I224 VanDerWaalsContact O-N 3.11Å; Y221-I224 WeakPolarHBondContact O-CB 3.46Å; Y221-I224 PolarHBondContact O-N 2.97Å; Y221-I224 VanDerWaalsContact O-N 3.08Å; I224-T226 VanDerWaalsContact C-N 3.31Å; I224-T226 PolarHBondContact O-N 3.24Å; I224-L227 PolarHBondContact O-N 2.95Å; I224-L228 HydrophobicContact CG2-CD1 3.74Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.5Å; I224-L228 WeakPolarHBondContact O-CG 3.27Å; I224-L228 PolarHBondContact O-N 2.84Å
225E89.7Confident86Confident91 Ų9160.7 Ų60.743%0.42533%0.325SS..Hα-helixtrans-58.6-42.5177.4-175.9175.4-157.900111.7Y221 L228 H229 I238Y221-E225 PolarHBondContact O-N 2.82Å; E225-L228 PolarHBondContact O-N 2.88Å; E225-H229 WeakPolarHBondContact O-CB 3.5Å; E225-H229 PolarHBondContact O-N 2.87Å; E225-I238 HydrophobicContact CB-CD1 4.42Å
226T90.8Very high85.9Confident80 Ų8062.3 Ų62.349%0.49133%0.33SS..Hα-helixtrans-65.5-40.2176.5-58.40000112.4G222 S223 I224 N230G222-T226 VanDerWaalsContact O-CB 3.32Å; G222-T226 WeakPolarHBondContact O-CB 3.45Å; G222-T226 PolarHBondContact O-N 2.94Å; G222-T226 VanDerWaalsContact O-N 3.07Å; G222-T226 PolarHBondContact O-OG1 2.91Å; S223-T226 PolarHBondContact O-N 2.96Å; I224-T226 VanDerWaalsContact C-N 3.31Å; I224-T226 PolarHBondContact O-N 3.24Å; T226-N230 WeakPolarHBondContact O-CB 3.22Å; T226-N230 PolarHBondContact O-N 2.91Å; T226-N230 VanDerWaalsContact O-N 3.13Å; T226-N230 PolarHBondContact O-ND2 2.94Å
227L88Confident85.8Confident45 Ų4564.9 Ų64.924%0.23635%0.348CS..Hα-helixtrans-65-48.1175.9-75.8179.2000111.5R191 L195 S223 I224 H229 N230 E231R191-L227 HydrophobicContact CB-CD1 4.22Å; L195-L227 HydrophobicContact CD1-CD1 3.55Å; S223-L227 WeakPolarHBondContact O-CG 3.44Å; S223-L227 PolarHBondContact O-N 3.45Å; I224-L227 PolarHBondContact O-N 2.95Å; L227-H229 VanDerWaalsContact C-N 3.35Å; L227-H229 PolarHBondContact O-N 2.63Å; L227-N230 PolarHBondContact O-N 2.84Å; L227-E231 PolarHBondContact O-N 3.18Å
228L87.1Confident85.9Confident0 Ų064.6 Ų64.60%035%0.348CS..Hα-helixtrans-57.5-47.9177.2-72.7168.9000110.8I178 I180 V188 L192 I224 E225 N230 E231 I232 Y236 I238I178-L228 HydrophobicContact CG2-CD1 3.83Å; I178-L228 HydrophobicContact CG2-CD2 4.28Å; I180-L228 HydrophobicContact CD1-CD2 3.89Å; I180-L228 HydrophobicContact CG1-CD2 4.26Å; V188-L228 HydrophobicContact CG1-CD2 3.93Å; L192-L228 HydrophobicContact CD1-CD2 4.19Å; L192-L228 HydrophobicContact CD2-CD2 4.44Å; L192-L228 HydrophobicContact CD2-CG 4.37Å; I224-L228 HydrophobicContact CG2-CD1 3.74Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.5Å; I224-L228 WeakPolarHBondContact O-CG 3.27Å; I224-L228 PolarHBondContact O-N 2.84Å; E225-L228 PolarHBondContact O-N 2.88Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 3.19Å; L228-E231 PolarHBondContact O-N 2.94Å; L228-I232 HydrophobicContact CD2-CD1 3.92Å; L228-I232 CarbonylContact O-C 3.57Å; L228-I232 WeakPolarHBondContact O-CA 3.37Å; L228-I232 WeakPolarHBondContact O-CB 3.43Å; L228-I232 PolarHBondContact O-N 2.84Å; L228-Y236 HydrophobicContact CB-CD1 3.93Å; L228-Y236 HydrophobicContact CB-CD2 3.92Å; L228-Y236 HydrophobicContact CB-CE1 3.87Å; L228-Y236 HydrophobicContact CB-CE2 3.86Å; L228-Y236 HydrophobicContact CB-CG 3.97Å; L228-Y236 HydrophobicContact CD1-CD2 3.92Å; L228-Y236 HydrophobicContact CD1-CE2 4.22Å; L228-Y236 HydrophobicContact CD1-CG 4.45Å; L228-Y236 HydrophobicContact CD2-CG 4.44Å; L228-Y236 HydrophobicContact CG-CD2 4.4Å; L228-I238 HydrophobicContact CD1-CD1 3.59Å; L228-I238 HydrophobicContact CD1-CG1 3.96Å
229H87.6Confident86.1Confident117 Ų11767.3 Ų67.354%0.54236%0.355SS..Hα-helixtrans-61.1-37178.5-167.279.7000114E225 L227E225-H229 WeakPolarHBondContact O-CB 3.5Å; E225-H229 PolarHBondContact O-N 2.87Å; L227-H229 VanDerWaalsContact C-N 3.35Å; L227-H229 PolarHBondContact O-N 2.63Å
230N86Confident86.4Confident112 Ų11266.8 Ų66.860%0.59935%0.354SS*.Hα-helixtrans-74.6-38.4-179.2-74.8-34.2000113T226 L227 L228T226-N230 WeakPolarHBondContact O-CB 3.22Å; T226-N230 PolarHBondContact O-N 2.91Å; T226-N230 VanDerWaalsContact O-N 3.13Å; T226-N230 PolarHBondContact O-ND2 2.94Å; L227-N230 PolarHBondContact O-N 2.84Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 3.19Å
231E83.4Confident86.3Confident56 Ų5667.2 Ų67.226%0.26236%0.361SS..Hα-helixtrans-91.4-34.9-175-66.3178.8-16600112.1V188 R191 L227 L228V188-E231 WeakPolarHBondContact CA-OE2 3.22Å; V188-E231 HydrophobicContact CG2-CB 4.09Å; V188-E231 VanDerWaalsContact CG2-OE2 3.29Å; V188-E231 WeakPolarHBondContact CG2-OE2 3.33Å; R191-E231 WeakPolarHBondContact CD-OE1 3.45Å; R191-E231 IonicContact CZ-OE1 3.24Å; R191-E231 IonicContact NE-OE1 3Å; R191-E231 PolarHBondContact NE-OE1 2.89Å; R191-E231 IonicContact NH1-OE1 3.62Å; R191-E231 PolarHBondContact NH1-OE1 2.75Å; L227-E231 PolarHBondContact O-N 3.18Å; L228-E231 PolarHBondContact O-N 2.94Å
232I79.4Confident85Confident12 Ų1272.4 Ų72.46%0.06239%0.393CS..SBendtrans-126.7101.5-174.5-56.1160.4000107.9I180 V188 L228 G234 H235 Y236I180-I232 HydrophobicContact CD1-CD1 4.25Å; I180-I232 HydrophobicContact CG1-CD1 4.17Å; I180-I232 HydrophobicContact CG2-CD1 3.58Å; V188-I232 HydrophobicContact CB-CD1 4.33Å; V188-I232 HydrophobicContact CG1-CD1 3.79Å; V188-I232 HydrophobicContact CG2-CD1 3.85Å; V188-I232 HydrophobicContact CG2-CG1 4.08Å; L228-I232 HydrophobicContact CD2-CD1 3.92Å; L228-I232 CarbonylContact O-C 3.57Å; L228-I232 WeakPolarHBondContact O-CA 3.37Å; L228-I232 WeakPolarHBondContact O-CB 3.43Å; L228-I232 PolarHBondContact O-N 2.84Å; I232-G234 PolarHBondContact O-N 3.19Å; I232-H235 VanDerWaalsContact CG2-C 3.5Å; I232-H235 HydrophobicContact CG2-CB 3.55Å; I232-H235 WeakPolarHBondContact CG2-O 3.44Å; I232-Y236 HydrophobicContact CB-CD1 4.14Å; I232-Y236 HydrophobicContact CG2-CD1 4.12Å; I232-Y236 WeakPolarHBondContact O-CD1 3.49Å; I232-Y236 WeakPolarHBondContact O-CE1 3.44Å
233K77.6Confident83.5Confident184 Ų18472.8 Ų72.880%0.840%0.397SS*.SBendtrans-71.956.6-170.1-60.2177-177.6173.20114.6
234G74.4Confident81.5Confident54 Ų5476.6 Ų76.656%0.55742%0.418SS*.SBendtrans953.3-178.600000115.6I232 Y236I232-G234 PolarHBondContact O-N 3.19Å; G234-Y236 PolarHBondContact O-N 2.95Å
235H82.2Confident79.6Confident107 Ų10781.4 Ų81.450%0.49544%0.438SS..  trans-9039.4176.7-61.9-102.5000112.8Q181 I232Q181-H235 HydrophobicContact CB-CB 4.43Å; Q181-H235 HydrophobicContact CG-CB 4.33Å; Q181-H235 PolarHBondContact N-O 2.72Å; Q181-H235 PolarHBondContact OE1-ND1 2.98Å; I232-H235 VanDerWaalsContact CG2-C 3.5Å; I232-H235 HydrophobicContact CG2-CB 3.55Å; I232-H235 WeakPolarHBondContact CG2-O 3.44Å
236Y87.4Confident77.3Confident48 Ų4879.2 Ų79.219%0.18843%0.433CS..EExtended strand (participates in β ladder)trans-140.7149.3176.968-89.3000109.9T179 L228 I232 G234 I238T179-Y236 CarbonylContact O-C 3.57Å; T179-Y236 VanDerWaalsContact O-CA 3.29Å; T179-Y236 WeakPolarHBondContact O-CA 3.38Å; L228-Y236 HydrophobicContact CB-CD1 3.93Å; L228-Y236 HydrophobicContact CB-CD2 3.92Å; L228-Y236 HydrophobicContact CB-CE1 3.87Å; L228-Y236 HydrophobicContact CB-CE2 3.86Å; L228-Y236 HydrophobicContact CB-CG 3.97Å; L228-Y236 HydrophobicContact CD1-CD2 3.92Å; L228-Y236 HydrophobicContact CD1-CE2 4.22Å; L228-Y236 HydrophobicContact CD1-CG 4.45Å; L228-Y236 HydrophobicContact CD2-CG 4.44Å; L228-Y236 HydrophobicContact CG-CD2 4.4Å; I232-Y236 HydrophobicContact CB-CD1 4.14Å; I232-Y236 HydrophobicContact CG2-CD1 4.12Å; I232-Y236 WeakPolarHBondContact O-CD1 3.49Å; I232-Y236 WeakPolarHBondContact O-CE1 3.44Å; G234-Y236 PolarHBondContact O-N 2.95Å; Y236-I238 HydrophobicContact CD2-CD1 4.13Å; Y236-I238 HydrophobicContact CD2-CG1 3.77Å; Y236-I238 HydrophobicContact CE2-CD1 3.82Å; Y236-I238 HydrophobicContact CE2-CG1 3.91Å
237S86.6Confident74.6Confident55 Ų5579.3 Ų79.339%0.38544%0.437SS..EExtended strand (participates in β ladder)trans-124.3136.5168.247.50000109.9T179T179-S237 WeakPolarHBondContact CB-OG 3.33Å; T179-S237 PolarHBondContact N-O 3.08Å; T179-S237 PolarHBondContact O-N 3.45Å
238I89.3Confident72.4Confident36 Ų3682.9 Ų82.919%0.18545%0.452CS..EExtended strand (participates in β ladder)trans-115.1117.7176.9-50-179.3000107.2V176 Y221 E225 L228 Y236V176-I238 HydrophobicContact CG1-CG2 3.34Å; Y221-I238 HydrophobicContact CE2-CG2 3.95Å; E225-I238 HydrophobicContact CB-CD1 4.42Å; L228-I238 HydrophobicContact CD1-CD1 3.59Å; L228-I238 HydrophobicContact CD1-CG1 3.96Å; Y236-I238 HydrophobicContact CD2-CD1 4.13Å; Y236-I238 HydrophobicContact CD2-CG1 3.77Å; Y236-I238 HydrophobicContact CE2-CD1 3.82Å; Y236-I238 HydrophobicContact CE2-CG1 3.91Å
239E90.8Very high69.7Low117 Ų11791.4 Ų91.455%0.54749%0.489SS..EExtended strand (participates in β ladder)trans-111.7124.8174.6-62.3-176160.100108.8N177N177-E239 HydrophobicContact CB-CB 4.32Å; N177-E239 PolarHBondContact N-O 3.29Å; N177-E239 PolarHBondContact O-N 2.92Å
240I89.4Confident66.9Low78 Ų7889 Ų8940%0.450%0.496SS..EExtended strand (participates in β ladder)trans-83.6121.8171.4-62.4165.2000106.6M174 Y221 D242M174-I240 HydrophobicContact CE-CD1 3.72Å; M174-I240 HydrophobicContact CE-CG1 4.04Å; M174-I240 HydrophobicContact CE-CG2 3.78Å; Y221-I240 HydrophobicContact CE2-CD1 4.37Å; Y221-I240 HydrophobicContact CE2-CG1 4.35Å; I240-D242 PolarHBondContact O-N 3.28Å
241V85.5Confident64.2Low61 Ų6194.5 Ų94.537%0.3751%0.508SS..  trans-76.2108.5176.7-176.70000107.5E175 N177 G243E175-V241 HydrophobicContact CB-CB 4.16Å; E175-V241 HydrophobicContact CG-CB 4.14Å; E175-V241 HydrophobicContact CG-CG2 4.16Å; E175-V241 PolarHBondContact O-N 2.72Å; N177-V241 HydrophobicContact CB-CG2 4.38Å; V241-G243 PolarHBondContact O-N 2.97Å
242D62.2Low61.6Low166 Ų16698.1 Ų98.189%0.88853%0.534SS*.  trans-71.763.3175.5-90.1-23.1000111.4I240I240-D242 PolarHBondContact O-N 3.28Å
243G57.1Low59Low43 Ų43105.6 Ų105.644%0.44357%0.566SS.*  trans-92.1134.2175.700000112V241 K245V241-G243 PolarHBondContact O-N 2.97Å; G243-K245 PolarHBondContact O-N 2.69Å
244T47.3Very low56.8Low143 Ų143105 Ų10588%0.87757%0.571SS**SBendtrans-54.7106.9169.740.40000111.2C246T244-C246 PolarHBondContact O-N 2.91Å
245K49.1Very low54.6Low104 Ų104108 Ų10845%0.45257%0.574SS.*THydrogen-bonded Turntrans19.994.7169.2-67.6-174.4178.7-174.70113.7A127 G243 S247A127-K245 HydrophobicContact CB-CD 4.43Å; A127-K245 VanDerWaalsContact CB-NZ 3.33Å; G243-K245 PolarHBondContact O-N 2.69Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.48Å
246C41.8Very low52.1Low46 Ų46108.5 Ų108.531%0.31159%0.59SS.*THydrogen-bonded Turntrans-42.690.4-174.2-53.60000113T244 H248T244-C246 PolarHBondContact O-N 2.91Å; C246-H248 VanDerWaalsContact C-N 3.3Å; C246-H248 PolarHBondContact O-N 2.99Å
247S34.6Very low49.4Very low82 Ų82110.6 Ų110.657%0.57362%0.617SS**  trans-82.183.3179.3-1760000107.1K245 K249K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.48Å; S247-K249 PolarHBondContact O-N 3.35Å
248H41Very low46.7Very low119 Ų119116.6 Ų116.655%0.55164%0.644SS**  trans-73.572.9-177.4-135.310.5000110.6C246 G250C246-H248 VanDerWaalsContact C-N 3.3Å; C246-H248 PolarHBondContact O-N 2.99Å; H248-G250 PolarHBondContact O-N 3.47Å
249K31Very low43.8Very low180 Ų180120.9 Ų120.978%0.78367%0.672SS**  trans-85.495.2163.6-79.3-173.3173.3-176.70108.5S247 R251S247-K249 PolarHBondContact O-N 3.35Å; K249-R251 PolarHBondContact O-N 2.74Å
250G28.9Very low41Very low66 Ų66121.1 Ų121.168%0.6868%0.681SS**  trans5355.615200000117.2H248H248-G250 PolarHBondContact O-N 3.47Å
251R28.9Very low38Very low227 Ų227125.9 Ų125.986%0.85770%0.699SS**  trans-104.759.2159.6-82.9-170172.8-179.9-1.7111.6K249K249-R251 PolarHBondContact O-N 2.74Å
252T28.3Very low35.3Very low132 Ų132128 Ų12881%0.8171%0.712SS**  trans-122.7114.315248.20000104.6
253K26Very low33.8Very low169 Ų169128.3 Ų128.374%0.73571%0.708SS**  cis-122.8139.737.4-52.3171.7-177.6-179.80112.7D255K253-D255 WeakPolarHBondContact CD-OD1 3.38Å
254L30.5Very low32.5Very low171 Ų171133 Ų13390%0.89573%0.728SS**  trans-90.786.1152.3-121.8148.5000105.6S256L254-S256 PolarHBondContact O-N 3.23Å
255D29.3Very low31.7Very low117 Ų117129.7 Ų129.763%0.62672%0.723SS**  trans-68.1116.2174.2-74.6-36.8000108K253 A257K253-D255 WeakPolarHBondContact CD-OD1 3.38Å; D255-A257 PolarHBondContact O-N 3.03Å
256S29.7Very low30.8Very low119 Ų119131.7 Ų131.783%0.83273%0.733SS**  trans-64.9101.5178.552.30000110.6L254L254-S256 PolarHBondContact O-N 3.23Å
257A30.1Very low30.2Very low92 Ų92137.6 Ų137.676%0.7675%0.754SS**  trans-114.662.9179.800000111.7D255D255-A257 PolarHBondContact O-N 3.03Å
258L29.1Very low29.9Very low180 Ų180139.7 Ų139.794%0.94276%0.763SS**  trans-116.965.4165.1-129.591.5000109.9
259T29.3Very low29.5Very low127 Ų127140.6 Ų140.678%0.77978%0.777SS**  trans-126.1111.8175-51.90000110.7K261T259-K261 PolarHBondContact O-N 3.48Å
260V31.8Very low29.3Very low121 Ų121137.5 Ų137.573%0.73377%0.773SS**  trans-84.6106.1176.41730000109.6
261K26.6Very low29.4Very low178 Ų178144.5 Ų144.577%0.77478%0.784SS**  trans64.6151.6163.6-47166.9-176.1178.30113T259T259-K261 PolarHBondContact O-N 3.48Å
262T28.8Very low29.4Very low107 Ų107140.1 Ų140.166%0.65678%0.778SS**  cis-163.3138.732.2-52.30000109.9
263E30.4Very low29.6Very low172 Ų172139.8 Ų139.880%0.80478%0.775SS**  trans61.5119.5149.2-69.8163.2-137.800125.7
264V30.9Very low30Very low140 Ų140137 Ų13785%0.84878%0.775SS**  82109.8130-178.60000122.4
265G29.6Very low30.1Very low75 Ų75133.2 Ų133.277%0.77377%0.768SS**  trans85.3148.714000000119
266E30.9Very low30.1Very low145 Ų145136.1 Ų136.168%0.67878%0.778SS**  cis-166.7128.5-17.4178.4176.7-179.600109.7
267K28.4Very low30.2Very low171 Ų171136.7 Ų136.774%0.74377%0.771SS**  trans56.1164.6161.4-67.9170.4-174155.50117.3
268T28.8Very low30.3Very low126 Ų126138.2 Ų138.277%0.77377%0.771SS**  cis-164.8160.8-21.5280000106.2
269V31.7Very low30.5Very low137 Ų137135.5 Ų135.583%0.8377%0.767SS**  cis-149.81777.5860000110
270V27.4Very low30.7Very low115 Ų115134.8 Ų134.870%0.69777%0.768SS**  trans-111142.8172.4173.50000111.1
271K31.5Very low31Very low213 Ų213139 Ų13993%0.92678%0.779SS**  trans-164.2158.9142.5-111.5161.1-178.51780114.3
272N28.3Very low31.1Very low136 Ų136135.3 Ų135.373%0.72778%0.776SS**  trans-116.2146.6-156-92.6-11.3000113.2
273V32Very low31.4Very low124 Ų124137.4 Ų137.475%0.75278%0.783SS**  49.1153.4116.8-170.90000119.3
274P35Very low31.6Very low112 Ų112135.1 Ų135.173%0.72778%0.78SS**  cis-133.1177.7-17.734.5-14.4000117.4
275A32.2Very low31.9Very low90 Ų90134.4 Ų134.474%0.74478%0.782SS**  trans26.4136.4139.100000124.7
276E30.6Very low32.2Very low179 Ų179139.8 Ų139.884%0.83679%0.787SS**  -174.4161.3103-107-170179.600115.7
277N31.7Very low32.7Very low130 Ų130140.8 Ų140.870%0.69580%0.795SS**  trans68.7106.4155.6-91.2-19.1000125.7
278V31.6Very low33Very low124 Ų124137.9 Ų137.975%0.75279%0.792SS**  49.8118.6113.9179.10000120.5
279S33.6Very low33.2Very low124 Ų124140.5 Ų140.587%0.86780%0.795SS**  -167.6151.3117.944.60000112.6
280S32Very low33.5Very low112 Ų112138.6 Ų138.678%0.78379%0.788SS**  trans-114.5140.1-173.553.90000111.9
281Q39.3Very low34.1Very low208 Ų208137.9 Ų137.997%0.97279%0.788SS**  trans-141.3149.8156.5-71.2-162.40.500112
282S28.9Very low34.3Very low101 Ų101136.3 Ų136.371%0.70678%0.784SS**  trans-113.2154.1-169.252.90000112.7
283N35Very low34.8Very low152 Ų152134.1 Ų134.181%0.81379%0.785SS**  trans-166116.4146.8-90-32.5000108.5
284V34.1Very low35.2Very low123 Ų123133.1 Ų133.175%0.74578%0.783SS**  78.111577.6171.90000113.8
285S37.3Very low35.5Very low125 Ų125134.5 Ų134.587%0.87479%0.789SS**  trans-168.6138.7143.5-800000110.5
286Q36.1Very low35.6Very low189 Ų189135.4 Ų135.488%0.88379%0.79SS**  trans-115.9145.1-176.9-62.2173.5-36.700111.1
287I40.7Very low36Very low165 Ų165132 Ų13285%0.84679%0.792SS**  trans-140.6120.7155-58.7-174.5000111.3
288T35.2Very low36.3Very low110 Ų110129.4 Ų129.468%0.67580%0.797SS**  trans-30.3142163.141.20000118.5
289Q34.3Very low36.6Very low182 Ų182132.9 Ų132.985%0.8580%0.802SS**  54.4139.390.6-64-174.93.700114.6
290S37.4Very low36.7Very low97 Ų97136 Ų13668%0.67880%0.8SS**  cis-166.4-177.212.447.40000111.8
291S39.2Very low37.1Very low100 Ų100138.5 Ų138.570%0.69980%0.804SS**  trans65.6153.2156.140.10000118.3
292E36.3Very low37Very low180 Ų180137.6 Ų137.684%0.84180%0.797SS**  cis-163.4170.7-2.6-117.6166.4-160.300110.7
293A39.4Very low37.5Very low89 Ų89139.5 Ų139.574%0.73680%0.8SS**  trans29.5150146.100000122.5
294S39.4Very low37.8Very low104 Ų104141.2 Ų141.273%0.72780%0.8SS**  cis-179-164.4-4.3540000109.8
295V41.2Very low38.2Very low141 Ų141140.1 Ų140.186%0.85580%0.798SS**  trans91.7130.6164.3-166.50000118.4
296S34.1Very low38.3Very low108 Ų108143.9 Ų143.976%0.75580%0.798SS**  trans-128.5177.9-179.6600000111.2
297A39.6Very low38.5Very low107 Ų107143.9 Ų143.988%0.88480%0.795SS**  trans85.9136.8167.600000119.1
298G36.8Very low38.7Very low77 Ų77143.8 Ų143.879%0.79479%0.789SS**  trans164.197.1170.100000116.4
299K39.2Very low39.1Very low197 Ų197144.8 Ų144.886%0.85779%0.79SS**  trans-32134.8170.6-73.3160.6178.7171.10116.4
300K34.7Very low39.7Very low190 Ų190144.3 Ų144.383%0.82679%0.785SS**  45.2120.897.2-81.2-177175.9176.90115.3
301D40.2Very low40Very low164 Ų164149.2 Ų149.288%0.87779%0.794SS**  -169.1172.4109.8-108.5-39.7000116
302K38.7Very low40.1Very low188 Ų188148.2 Ų148.282%0.81780%0.8SS**  trans-105.1148.3-170.2-63.1168.9175172.40114.5
303N39.1Very low40.5Very low142 Ų142145.7 Ų145.776%0.75980%0.802SS**  trans-167.1134.7137.3-103-30.1000110.5
304K41.3Very low40.9Very low187 Ų187149.9 Ų149.981%0.81380%0.804SS**  52.7135.188.5-75.4-175.3-178.9170.20113.6
305S41Very low41.4Very low101 Ų101156.2 Ų156.271%0.70681%0.812SS**  cis-175.3153.2838.60000114.6
306K39.9Very low41.6Very low203 Ų203155.5 Ų155.588%0.88380%0.803SS**  trans34.6123147.4-71.7-176.4173.4-179.90122.1
307K41.4Very low42.9Very low190 Ų190158.5 Ų158.583%0.82681%0.811SS**  trans-175.6149.1140.5-100.2162.4-175.3172.80106.6
308K44Very low43.9Very low162 Ų162159.6 Ų159.670%0.70480%0.801SS**  cis-169.1149.6-3.4-133.4174.4-174.3-173.60109
309N42.9Very low45Very low132 Ų132168.6 Ų168.671%0.70681%0.812SS**  trans63.4157.3147.7-77.1-2.6000121.9
310K47.7Very low46.1Very low172 Ų172163.8 Ų163.875%0.74880%0.803SS**  cis-174.9158.4-22.5-166.1173.9-174.7179.20109.8
311K44.3Very low47.4Very low199 Ų199162.4 Ų162.487%0.86581%0.805SS**  trans72.8136.4172.4-51.6-178.4177.5-178.30115.3
312G40.2Very low48.5Very low79 Ų79166.4 Ų166.481%0.81483%0.826SS**  cis115.6103.2-10.800000115
313S46.3Very low49Very low127 Ų127165.3 Ų165.389%0.88883%0.826SS**  trans-158.8151.8151.3-169.80000109.1
314K47Very low49.5Very low177 Ų177166.5 Ų166.577%0.7783%0.83SS**  trans-141.9125.4-173.9-176.9-178.8-176.3-1790107.7
315R49.9Very low50Low237 Ų237165.4 Ų165.489%0.89483%0.831SS**  trans-135.1131.5162-88.7-172.6168.7166.7-5108.3
316N46.4Very low50.5Low127 Ų127169.2 Ų169.268%0.67984%0.838SS**  trans-80.4152.1163.8-47.7-19.3000106.4
317D60.7Low51.2Low171 Ų171167.1 Ų167.191%0.91484%0.835SS**  trans-137.9138.8138.8-82.1-51.5000106.7
318D59.5Low51.8Low129 Ų129165.5 Ų165.569%0.6984%0.836SS**  trans-121.9132.6-169.917224.1000106.2
319W61.4Low52.4Low266 Ų266165.8 Ų165.8100%1.00885%0.845SS**  trans-155.3120.4166.8-98.86.3000108.9
320S61.8Low53.1Low97 Ų97168.4 Ų168.468%0.67886%0.856SS**  trans-130.6140.8172.6-51.80000108.4
321D60.9Low53.5Low160 Ų160168.1 Ų168.186%0.85687%0.865SS**  trans41.4105.7158.8-56.1-18.1000120.5
322D64.1Low54.4Low248 Ų248165.3 Ų165.3100%1.32687%0.865SS**  -146.40114.9-110.7-27.7000108.7

Retrieved 322 of 322 residues in 344.8 ms (Link to these results)

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