A0A087Y4G3_POEFO Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma

Mediates the production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). Plays an important role in the regulation of intracellular signaling cascades. The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. It is a crucial enzyme in transmembrane signaling.

AlphaFold DB , UniProt , Accession A0A087Y4G3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,245 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
1M31.8Very low47.4Very low248 Ų248128.3 Ų128.3100%1.22275%0.746SS**  0131.20-82.6177.417800108.9
2A26.5Very low50.6Low85 Ų85132.1 Ų132.170%0.70274%0.741SS**  trans-70.9154.7-167.700000113.3S4A2-S4 PolarHBondContact O-N 3.17Å
3R32.2Very low53.4Low265 Ų265131.3 Ų131.3100%173%0.725SS**SBendtrans-5871.1162.7-77.7177.3166.7174.1-5.1111.1
4S29.8Very low55.8Low109 Ų109126 Ų12676%0.76269%0.691SS**  trans-125.598.5169.461.60000108.6A2A2-S4 PolarHBondContact O-N 3.17Å
5G31.1Very low58.1Low80 Ų80123.9 Ų123.983%0.82568%0.677SS**  trans119.835.3161.200000118.3
6S36.3Very low60.1Low118 Ų118119.4 Ų119.483%0.82565%0.654SS**  trans-94.291.9158.860.60000108.7E8S6-E8 PolarHBondContact O-N 2.82Å
7G41Very low62Low67 Ų67113.5 Ų113.569%0.69162%0.622SS**  trans-53.5136.5157.500000108.4M9G7-M9 PolarHBondContact O-N 3.07Å
8E52.3Low63.7Low195 Ų195108.9 Ų108.991%0.91160%0.595SS**  trans-46.1114.1-179.5-100.8179.9160.200110.2S6 T10S6-E8 PolarHBondContact O-N 2.82Å; E8-T10 PolarHBondContact O-N 3.31Å
9M73.9Confident65.2Low58 Ų58112 Ų11229%0.28660%0.596SS.*  trans-71.2119.6-179.1-171.7161.670.700108.5G7 K13 K14 I17 I122 L126G7-M9 PolarHBondContact O-N 3.07Å; M9-K13 HydrophobicContact CG-CB 3.67Å; M9-K13 HydrophobicContact CG-CD 4.04Å; M9-K13 HydrophobicContact SD-CB 4.14Å; M9-K14 HydrophobicContact CE-CG 3.65Å; M9-I17 HydrophobicContact CE-CD1 3.78Å; M9-I17 HydrophobicContact SD-CD1 3.88Å; M9-I122 HydrophobicContact CE-CG2 3.87Å; M9-L126 HydrophobicContact CE-CD1 3.58Å
10T83.2Confident66.5Low78 Ų78108.4 Ų108.448%0.47958%0.577SS.*  trans-53.4142.3179.858.20000111.4E8 Y12 K13 K14E8-T10 PolarHBondContact O-N 3.31Å; T10-Y12 PolarHBondContact O-N 3.21Å; T10-Y12 VanDerWaalsContact O-N 3.12Å; T10-K13 WeakPolarHBondContact O-CB 3.39Å; T10-K13 PolarHBondContact O-N 3.4Å; T10-K13 WeakPolarHBondContact OG1-CG 3.23Å; T10-K14 PolarHBondContact O-N 3.24Å
11E83.5Confident67.8Low108 Ų108103.2 Ų103.251%0.50555%0.55SS..Hα-helixtrans-53.5-37.4-179.4-164.356.7-148.500113K13 K14 I15E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 3.06Å; E11-K14 WeakPolarHBondContact O-CB 3.4Å; E11-K14 PolarHBondContact O-N 3.43Å; E11-K14 VanDerWaalsContact O-N 3.17Å; E11-K14 IonicContact OE2-NZ 2.81Å; E11-I15 HydrophobicContact CG-CD1 4.35Å; E11-I15 WeakPolarHBondContact O-CG1 3.37Å; E11-I15 PolarHBondContact O-N 2.7Å
12Y85.1Confident70.7Confident174 Ų17496.2 Ų96.268%0.68251%0.514SS*.Hα-helixtrans-55.8-43.9173.7179-99.3000113.1T10 I15 V16T10-Y12 PolarHBondContact O-N 3.21Å; T10-Y12 VanDerWaalsContact O-N 3.12Å; Y12-I15 PolarHBondContact O-N 3.43Å; Y12-V16 HydrophobicContact CD1-CG2 4.28Å; Y12-V16 HydrophobicContact CE1-CG2 3.85Å; Y12-V16 HydrophobicContact CE2-CG2 4.29Å; Y12-V16 WeakPolarHBondContact O-CG2 3.37Å; Y12-V16 PolarHBondContact O-N 3.11Å
13K86.9Confident73.7Confident122 Ų12298.1 Ų98.153%0.5351%0.51SS..Hα-helixtrans-65.7-39.5178.2-76.4179.9178.2-175.30111.6M9 T10 E11 V16 I17M9-K13 HydrophobicContact CG-CB 3.67Å; M9-K13 HydrophobicContact CG-CD 4.04Å; M9-K13 HydrophobicContact SD-CB 4.14Å; T10-K13 WeakPolarHBondContact O-CB 3.39Å; T10-K13 PolarHBondContact O-N 3.4Å; T10-K13 WeakPolarHBondContact OG1-CG 3.23Å; E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 3.06Å; K13-V16 PolarHBondContact O-N 2.89Å; K13-I17 VanDerWaalsContact O-CG1 3.3Å; K13-I17 WeakPolarHBondContact O-CG1 3.31Å; K13-I17 PolarHBondContact O-N 3.31Å
14K87.7Confident76.6Confident57 Ų5786.5 Ų86.525%0.24847%0.472CS..Hα-helixtrans-60.2-46.8174.9-65.8179.6-1741730111M9 T10 E11 V16 I17 K18 L126M9-K14 HydrophobicContact CE-CG 3.65Å; T10-K14 PolarHBondContact O-N 3.24Å; E11-K14 WeakPolarHBondContact O-CB 3.4Å; E11-K14 PolarHBondContact O-N 3.43Å; E11-K14 VanDerWaalsContact O-N 3.17Å; E11-K14 IonicContact OE2-NZ 2.81Å; K14-V16 PolarHBondContact O-N 3.13Å; K14-I17 PolarHBondContact O-N 2.97Å; K14-K18 WeakPolarHBondContact O-CG 3.46Å; K14-K18 PolarHBondContact O-N 3.3Å; K14-L126 HydrophobicContact CG-CD1 4.25Å
15I89.7Confident79.6Confident94 Ų9482.6 Ų82.648%0.48244%0.444SS..Hα-helixtrans-60.1-44.6178.9-66.6166.5000111.3E11 Y12 K18 R19E11-I15 HydrophobicContact CG-CD1 4.35Å; E11-I15 WeakPolarHBondContact O-CG1 3.37Å; E11-I15 PolarHBondContact O-N 2.7Å; Y12-I15 PolarHBondContact O-N 3.43Å; I15-K18 PolarHBondContact O-N 2.84Å; I15-R19 WeakPolarHBondContact O-CB 3.12Å; I15-R19 PolarHBondContact O-N 3.27Å
16V91Very high82.6Confident52 Ų5281.4 Ų81.432%0.31542%0.421SS..Hα-helixtrans-61.8-45.8177.9172.80000111.2Y12 K13 K14 K18 R19 D20Y12-V16 HydrophobicContact CD1-CG2 4.28Å; Y12-V16 HydrophobicContact CE1-CG2 3.85Å; Y12-V16 HydrophobicContact CE2-CG2 4.29Å; Y12-V16 WeakPolarHBondContact O-CG2 3.37Å; Y12-V16 PolarHBondContact O-N 3.11Å; K13-V16 PolarHBondContact O-N 2.89Å; K14-V16 PolarHBondContact O-N 3.13Å; V16-K18 PolarHBondContact O-N 3.47Å; V16-R19 PolarHBondContact O-N 3.4Å; V16-D20 PolarHBondContact O-N 3.42Å
17I91.8Very high85.3Confident20 Ų2075.8 Ų75.810%0.10338%0.381CS..Hα-helixtrans-59.7-47.2177.9-69169.9000110.8M9 K13 K14 R19 D20 L21 K119 I122M9-I17 HydrophobicContact CE-CD1 3.78Å; M9-I17 HydrophobicContact SD-CD1 3.88Å; K13-I17 VanDerWaalsContact O-CG1 3.3Å; K13-I17 WeakPolarHBondContact O-CG1 3.31Å; K13-I17 PolarHBondContact O-N 3.31Å; K14-I17 PolarHBondContact O-N 2.97Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; I17-D20 PolarHBondContact O-N 3.34Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 VanDerWaalsContact O-CD1 3.25Å; I17-L21 WeakPolarHBondContact O-CD1 3.49Å; I17-L21 PolarHBondContact O-N 2.93Å; I17-K119 HydrophobicContact CG1-CG 4.17Å; I17-K119 HydrophobicContact CG2-CG 4.11Å; I17-I122 HydrophobicContact CD1-CG2 4.16Å
18K92.2Very high87.8Confident31 Ų3173.3 Ų73.314%0.13535%0.353CS..Hα-helixtrans-59.7-43.8178.9-67.7176.3-162.4-173.80111.9K14 I15 V16 D20 L21 E22 M43 L127 E130K14-K18 WeakPolarHBondContact O-CG 3.46Å; K14-K18 PolarHBondContact O-N 3.3Å; I15-K18 PolarHBondContact O-N 2.84Å; V16-K18 PolarHBondContact O-N 3.47Å; K18-D20 VanDerWaalsContact C-N 3.32Å; K18-D20 PolarHBondContact O-N 2.93Å; K18-L21 PolarHBondContact O-N 2.94Å; K18-E22 WeakPolarHBondContact O-CB 3.33Å; K18-E22 PolarHBondContact O-N 3.09Å; K18-M43 HydrophobicContact CB-CE 3.99Å; K18-M43 HydrophobicContact CD-CE 4.06Å; K18-M43 HydrophobicContact CG-CE 4.28Å; K18-L127 HydrophobicContact CD-CD2 4.31Å; K18-L127 HydrophobicContact CG-CD2 4.12Å; K18-E130 VanDerWaalsContact CE-OE1 3.28Å; K18-E130 WeakPolarHBondContact CE-OE1 3.41Å; K18-E130 WeakPolarHBondContact CE-OE2 3.23Å; K18-E130 IonicContact NZ-OE1 3.23Å; K18-E130 PolarHBondContact NZ-OE1 3.27Å; K18-E130 IonicContact NZ-OE2 2.81Å; K18-E130 PolarHBondContact NZ-OE2 2.98Å
19R92.1Very high89.7Confident167 Ų16764.2 Ų64.263%0.6331%0.311SS*.Hα-helixtrans-62.8-39177.4-173178.3178.5172.20.8112.1I15 V16 I17 E22 M23I15-R19 WeakPolarHBondContact O-CB 3.12Å; I15-R19 PolarHBondContact O-N 3.27Å; V16-R19 PolarHBondContact O-N 3.4Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; R19-E22 PolarHBondContact O-N 3.13Å; R19-M23 WeakPolarHBondContact O-CG 3.07Å; R19-M23 PolarHBondContact O-N 2.9Å
20D92Very high90.4Very high40 Ų4061.6 Ų61.621%0.21430%0.298CS..Hα-helixtrans-65.2-41.5175.7-72.7-7.5000111.7V16 I17 K18 E22 M23 G24 K119V16-D20 PolarHBondContact O-N 3.42Å; I17-D20 PolarHBondContact O-N 3.34Å; K18-D20 VanDerWaalsContact C-N 3.32Å; K18-D20 PolarHBondContact O-N 2.93Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.36Å; D20-M23 PolarHBondContact O-N 3.38Å; D20-M23 VanDerWaalsContact OD1-CE 3.31Å; D20-M23 WeakPolarHBondContact OD1-CE 3.42Å; D20-G24 PolarHBondContact O-N 2.79Å; D20-G24 VanDerWaalsContact O-N 3.16Å; D20-K119 HydrophobicContact CB-CD 3.94Å; D20-K119 WeakPolarHBondContact OD2-CD 3.47Å; D20-K119 WeakPolarHBondContact OD2-CE 3.33Å; D20-K119 IonicContact OD2-NZ 2.7Å; D20-K119 PolarHBondContact OD2-NZ 3.15Å
21L93.6Very high90.4Very high0 Ų061.9 Ų61.90%029%0.29CS..Hα-helixtrans-64.6-36175.1-92.365.9000111.7I17 K18 G24 Q40 V41 K119 W120 L127I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 VanDerWaalsContact O-CD1 3.25Å; I17-L21 WeakPolarHBondContact O-CD1 3.49Å; I17-L21 PolarHBondContact O-N 2.93Å; K18-L21 PolarHBondContact O-N 2.94Å; L21-G24 PolarHBondContact O-N 2.72Å; L21-Q40 CarbonylContact O-C 3.51Å; L21-Q40 WeakPolarHBondContact O-CA 3.43Å; L21-V41 HydrophobicContact CB-CB 4.24Å; L21-V41 HydrophobicContact CB-CG2 3.89Å; L21-V41 HydrophobicContact CD2-CG2 4.05Å; L21-V41 HydrophobicContact CG-CG2 4.27Å; L21-V41 PolarHBondContact O-N 3.03Å; L21-K119 HydrophobicContact CD1-CG 4.41Å; L21-W120 HydrophobicContact CD1-CD2 4.33Å; L21-W120 HydrophobicContact CD1-CG 4.39Å; L21-W120 HydrophobicContact CD2-CE3 4.45Å; L21-W120 HydrophobicContact CG-CD2 4.08Å; L21-W120 HydrophobicContact CG-CE3 4.2Å; L21-W120 HydrophobicContact CG-CH2 4.37Å; L21-W120 HydrophobicContact CG-CZ2 4.26Å; L21-W120 HydrophobicContact CG-CZ3 4.34Å; L21-L127 HydrophobicContact CD2-CD1 3.75Å
22E92.6Very high90.2Very high101 Ų10165 Ų6547%0.47231%0.305SS..Hα-helixtrans-69.4-39.1176.1-174.8176.5-152.400112.9K18 R19 D20 G24 V41 M43K18-E22 WeakPolarHBondContact O-CB 3.33Å; K18-E22 PolarHBondContact O-N 3.09Å; R19-E22 PolarHBondContact O-N 3.13Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.36Å; E22-G24 PolarHBondContact O-N 3.46Å; E22-V41 WeakPolarHBondContact CA-O 3.45Å; E22-M43 HydrophobicContact CB-CG 4.12Å; E22-M43 HydrophobicContact CG-CG 4.05Å
23M90.8Very high90.1Very high124 Ų12464 Ų6461%0.61130%0.304SS*.Hα-helixtrans-64.8-29.1172.9-71.2-171.1-57.100112.5R19 D20R19-M23 WeakPolarHBondContact O-CG 3.07Å; R19-M23 PolarHBondContact O-N 2.9Å; D20-M23 PolarHBondContact O-N 3.38Å; D20-M23 VanDerWaalsContact OD1-CE 3.31Å; D20-M23 WeakPolarHBondContact OD1-CE 3.42Å
24G91.3Very high90Very high21 Ų2160.5 Ų60.522%0.21630%0.298CS..  trans80161179.400000114.3D20 L21 E22 V39D20-G24 PolarHBondContact O-N 2.79Å; D20-G24 VanDerWaalsContact O-N 3.16Å; L21-G24 PolarHBondContact O-N 2.72Å; E22-G24 PolarHBondContact O-N 3.46Å; G24-V39 CarbonylContact C-O 3.47Å; G24-V39 WeakPolarHBondContact CA-O 3.28Å
25V93.6Very high90.1Very high27 Ų2761 Ų6116%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-139.5150.5176.973.60000110.3M27 V39 W120V25-M27 HydrophobicContact CG1-CE 3.3Å; V25-M27 HydrophobicContact CG1-CG 3.75Å; V25-M27 HydrophobicContact CG1-SD 4.33Å; V25-M27 PolarHBondContact O-N 2.99Å; V25-V39 PolarHBondContact N-O 3.39Å; V25-V39 PolarHBondContact O-N 3.48Å; V25-W120 HydrophobicContact CG1-CZ2 3.79Å
26V93.3Very high90.1Very high55 Ų5563.5 Ų63.533%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-78.8115.3176.3-176.80000109.1R36 L37V26-R36 HydrophobicContact CG1-CB 4.17Å; V26-L37 WeakPolarHBondContact CA-O 3.47Å
27M93.9Very high90.2Very high0 Ų061.2 Ų61.20%029%0.29CS..EExtended strand (participates in β ladder)trans-117.3158.9175-59.6-168175.100111V25 R36 L37 V39 F94 L109 G110 A111 W120V25-M27 HydrophobicContact CG1-CE 3.3Å; V25-M27 HydrophobicContact CG1-CG 3.75Å; V25-M27 HydrophobicContact CG1-SD 4.33Å; V25-M27 PolarHBondContact O-N 2.99Å; M27-R36 WeakPolarHBondContact O-CA 3.47Å; M27-L37 PolarHBondContact N-O 3.36Å; M27-L37 PolarHBondContact O-N 3.18Å; M27-L37 VanDerWaalsContact O-O 3.13Å; M27-V39 HydrophobicContact CB-CG2 3.93Å; M27-V39 HydrophobicContact CG-CB 4.49Å; M27-V39 HydrophobicContact CG-CG2 4.16Å; M27-V39 HydrophobicContact SD-CB 4.49Å; M27-V39 HydrophobicContact SD-CG2 4.36Å; M27-F94 HydrophobicContact CE-CE1 4.03Å; M27-F94 HydrophobicContact CE-CZ 4.08Å; M27-F94 HydrophobicContact SD-CE1 3.95Å; M27-F94 HydrophobicContact SD-CZ 3.96Å; M27-L109 HydrophobicContact SD-CB 4.09Å; M27-L109 HydrophobicContact SD-CD1 4.17Å; M27-G110 WeakPolarHBondContact CA-O 3.31Å; M27-A111 HydrophobicContact CE-CB 4.31Å; M27-W120 HydrophobicContact CE-CB 4.14Å; M27-W120 HydrophobicContact CE-CD2 3.43Å; M27-W120 VanDerWaalsContact CE-CD2 3.43Å; M27-W120 VanDerWaalsContact CE-CE2 3.47Å; M27-W120 HydrophobicContact CE-CE3 4.19Å; M27-W120 HydrophobicContact CE-CG 3.36Å; M27-W120 HydrophobicContact CE-CZ2 4.24Å
28T92.8Very high90.3Very high16 Ų1662.5 Ų62.510%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-83.6119.6165.7-53.70000108.6F30 A34 E35 H88 L109 G110T28-F30 HydrophobicContact CG2-CD2 4.26Å; T28-F30 HydrophobicContact CG2-CE1 4.26Å; T28-F30 HydrophobicContact CG2-CE2 3.72Å; T28-F30 HydrophobicContact CG2-CZ 3.74Å; T28-A34 HydrophobicContact CG2-CB 4.23Å; T28-E35 CarbonylContact C-O 3.58Å; T28-E35 WeakPolarHBondContact CA-O 3.38Å; T28-H88 WeakPolarHBondContact CB-NE2 3.36Å; T28-H88 PolarHBondContact OG1-NE2 3.07Å; T28-L109 CarbonylContact O-C 3.57Å; T28-L109 WeakPolarHBondContact O-CA 3.49Å; T28-G110 PolarHBondContact N-O 3.23Å; T28-G110 PolarHBondContact O-N 3.24Å
29V92.4Very high90.4Very high3 Ų361.1 Ų61.12%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-100.2120178.4-172.90000108.4R31 E35 L37 V39 L107 L109V29-R31 HydrophobicContact CG1-CG 4.19Å; V29-E35 PolarHBondContact N-O 3.47Å; V29-E35 PolarHBondContact O-N 3.17Å; V29-E35 VanDerWaalsContact O-N 3.13Å; V29-L37 HydrophobicContact CB-CD1 4.18Å; V29-L37 HydrophobicContact CG2-CB 3.95Å; V29-L37 HydrophobicContact CG2-CD1 3.94Å; V29-L37 HydrophobicContact CG2-CG 4.22Å; V29-V39 HydrophobicContact CG2-CG2 4.21Å; V29-L107 HydrophobicContact CG1-CD1 3.66Å; V29-L109 HydrophobicContact CB-CD2 4.24Å; V29-L109 HydrophobicContact CG1-CD2 4.13Å; V29-L109 HydrophobicContact CG2-CD2 3.7Å
30F89Confident90.5Very high3 Ų355.8 Ų55.81%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-97.4116.4-177.7-63.6-96.4000110T28 A34 D77 F78 F81 H88 S108T28-F30 HydrophobicContact CG2-CD2 4.26Å; T28-F30 HydrophobicContact CG2-CE1 4.26Å; T28-F30 HydrophobicContact CG2-CE2 3.72Å; T28-F30 HydrophobicContact CG2-CZ 3.74Å; F30-A34 HydrophobicContact CD1-CB 4.11Å; F30-A34 HydrophobicContact CE1-CB 4.27Å; F30-D77 HydrophobicContact CB-CB 4.35Å; F30-F78 HydrophobicContact CB-CE1 4.48Å; F30-F78 HydrophobicContact CD1-CD1 4.25Å; F30-F78 HydrophobicContact CD1-CE1 4.38Å; F30-F78 HydrophobicContact CD2-CD1 4.15Å; F30-F78 AromaticContact CD2-CE1 3.48Å; F30-F78 HydrophobicContact CD2-CE1 3.48Å; F30-F78 VanDerWaalsContact CD2-CE1 3.48Å; F30-F78 HydrophobicContact CD2-CZ 4.26Å; F30-F78 HydrophobicContact CE1-CD1 4.43Å; F30-F78 HydrophobicContact CE1-CE1 4.49Å; F30-F78 HydrophobicContact CE2-CD1 4.34Å; F30-F78 AromaticContact CE2-CE1 3.63Å; F30-F78 HydrophobicContact CE2-CE1 3.63Å; F30-F78 HydrophobicContact CG-CD1 4.09Å; F30-F78 AromaticContact CG-CE1 3.88Å; F30-F78 HydrophobicContact CG-CE1 3.88Å; F30-F78 HydrophobicContact CZ-CD1 4.46Å; F30-F78 HydrophobicContact CZ-CE1 4.13Å; F30-F81 HydrophobicContact CB-CE2 4.4Å; F30-F81 HydrophobicContact CD1-CB 4.47Å; F30-F81 AromaticContact CD1-CD2 3.74Å; F30-F81 HydrophobicContact CD1-CD2 3.74Å; F30-F81 HydrophobicContact CD1-CE2 4.24Å; F30-F81 HydrophobicContact CD1-CG 4.17Å; F30-H88 AromaticContact CZ-CD2 3.97Å; F30-S108 PolarHBondContact N-O 3.4Å
31R83.1Confident90.6Very high84 Ų8454 Ų5432%0.31727%0.266SS..SBendtrans-137.9-120.8177.3-61.6-179.7-172.5-164.9-8.4111.2V29 K33 W50 F81 L107V29-R31 HydrophobicContact CG1-CG 4.19Å; R31-K33 VanDerWaalsContact C-N 3.35Å; R31-K33 PolarHBondContact N-O 3.02Å; R31-W50 VanDerWaalsContact NH2-CD2 3.3Å; R31-F81 WeakPolarHBondContact O-CE2 3.37Å; R31-L107 VanDerWaalsContact NH2-CD1 3.28Å
32Q80.3Confident90.5Very high175 Ų17555.7 Ų55.782%0.81828%0.275SS*.SBendtrans-72.9-31.3165.3-66.7-176.2-5.100111.7
33K81.4Confident90.3Very high152 Ų15253.8 Ų53.866%0.66127%0.266SS*.SBendtrans-131.4152.3173-65.5179.1-177.91750108.3R31 E35R31-K33 VanDerWaalsContact C-N 3.35Å; R31-K33 PolarHBondContact N-O 3.02Å; K33-E35 HydrophobicContact CB-CG 4.37Å
34A85.1Confident90.2Very high49 Ų4951.9 Ų51.941%0.40526%0.256SS..EExtended strand (participates in β ladder)trans-87.2117170.800000108.7T28 F30 F81T28-A34 HydrophobicContact CG2-CB 4.23Å; F30-A34 HydrophobicContact CD1-CB 4.11Å; F30-A34 HydrophobicContact CE1-CB 4.27Å; A34-F81 HydrophobicContact CB-CD1 4.3Å; A34-F81 HydrophobicContact CB-CE1 4.09Å; A34-F81 HydrophobicContact CB-CZ 4.39Å
35E89.6Confident90.1Very high67 Ų6750.9 Ų50.931%0.31325%0.246SC..EExtended strand (participates in β ladder)trans-127.9142.4-177.2-64.2-175.9127.700110.3T28 V29 K33 L37 R52T28-E35 CarbonylContact C-O 3.58Å; T28-E35 WeakPolarHBondContact CA-O 3.38Å; V29-E35 PolarHBondContact N-O 3.47Å; V29-E35 PolarHBondContact O-N 3.17Å; V29-E35 VanDerWaalsContact O-N 3.13Å; K33-E35 HydrophobicContact CB-CG 4.37Å; E35-L37 HydrophobicContact CB-CD2 4.49Å; E35-L37 HydrophobicContact CB-CG 4.27Å; E35-R52 IonicContact OE1-CZ 2.6Å; E35-R52 IonicContact OE1-NH1 3.25Å; E35-R52 PolarHBondContact OE1-NH1 3.44Å; E35-R52 IonicContact OE1-NH2 3.11Å; E35-R52 PolarHBondContact OE1-NH2 3.34Å; E35-R52 IonicContact OE2-NH2 3.03Å; E35-R52 PolarHBondContact OE2-NH2 2.68Å
36R90.1Very high90.1Very high146 Ų14651.8 Ų51.855%0.55125%0.246SC*.EExtended strand (participates in β ladder)trans-86.7116172.6-68.8-162.373.3-1727.8109.5V26 M27 D112V26-R36 HydrophobicContact CG1-CB 4.17Å; M27-R36 WeakPolarHBondContact O-CA 3.47Å; R36-D112 IonicContact CZ-OD2 2.65Å; R36-D112 IonicContact NH2-OD1 2.8Å; R36-D112 PolarHBondContact NH2-OD1 3.24Å; R36-D112 IonicContact NH2-OD2 3.81Å; R36-D112 PolarHBondContact NH2-OD2 3.03Å
37L92.8Very high90.1Very high5 Ų550.5 Ų50.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-130.6149.8-176.8-58.3176.6000109.9V26 M27 V29 E35 V39 W50 R52V26-L37 WeakPolarHBondContact CA-O 3.47Å; M27-L37 PolarHBondContact N-O 3.36Å; M27-L37 PolarHBondContact O-N 3.18Å; M27-L37 VanDerWaalsContact O-O 3.13Å; V29-L37 HydrophobicContact CB-CD1 4.18Å; V29-L37 HydrophobicContact CG2-CB 3.95Å; V29-L37 HydrophobicContact CG2-CD1 3.94Å; V29-L37 HydrophobicContact CG2-CG 4.22Å; E35-L37 HydrophobicContact CB-CD2 4.49Å; E35-L37 HydrophobicContact CB-CG 4.27Å; L37-V39 PolarHBondContact O-N 3.45Å; L37-W50 HydrophobicContact CB-CB 4.36Å; L37-W50 HydrophobicContact CD1-CB 4.35Å; L37-W50 HydrophobicContact CD1-CG 4.37Å; L37-R52 HydrophobicContact CD2-CB 3.83Å; L37-R52 HydrophobicContact CD2-CG 4.13Å
38T93.6Very high90.1Very high47 Ų4750.5 Ų50.529%0.28824%0.236SC..EExtended strand (participates in β ladder)trans-78.6115.4170.8-57.70000108.5W50 T51T38-W50 CarbonylContact O-C 3.53Å; T38-W50 VanDerWaalsContact O-CA 3.29Å; T38-W50 WeakPolarHBondContact O-CA 3.38Å; T38-T51 PolarHBondContact N-O 3.36Å; T38-T51 PolarHBondContact O-N 3.03Å; T38-T51 PolarHBondContact O-OG1 2.64Å
39V94.6Very high90.1Very high1 Ų149.7 Ų49.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-99.2127.3175.7-170.80000108.2G24 V25 M27 V29 L37 V48 A49 W50 L109 W120G24-V39 CarbonylContact C-O 3.47Å; G24-V39 WeakPolarHBondContact CA-O 3.28Å; V25-V39 PolarHBondContact N-O 3.39Å; V25-V39 PolarHBondContact O-N 3.48Å; M27-V39 HydrophobicContact CB-CG2 3.93Å; M27-V39 HydrophobicContact CG-CB 4.49Å; M27-V39 HydrophobicContact CG-CG2 4.16Å; M27-V39 HydrophobicContact SD-CB 4.49Å; M27-V39 HydrophobicContact SD-CG2 4.36Å; V29-V39 HydrophobicContact CG2-CG2 4.21Å; L37-V39 PolarHBondContact O-N 3.45Å; V39-V48 HydrophobicContact CG1-CG1 3.76Å; V39-A49 CarbonylContact C-O 3.49Å; V39-A49 WeakPolarHBondContact CA-O 3.48Å; V39-W50 HydrophobicContact CG2-CB 4.27Å; V39-L109 HydrophobicContact CG2-CD2 4.24Å; V39-W120 HydrophobicContact CB-CH2 4.04Å; V39-W120 HydrophobicContact CB-CZ3 4.49Å; V39-W120 HydrophobicContact CG1-CH2 3.63Å; V39-W120 HydrophobicContact CG1-CZ3 3.69Å; V39-W120 VanDerWaalsContact O-CH2 3.29Å; V39-W120 WeakPolarHBondContact O-CH2 3.34Å; V39-W120 VanDerWaalsContact O-CZ2 3.28Å; V39-W120 WeakPolarHBondContact O-CZ2 3.29Å
40Q94.2Very high90.1Very high55 Ų5550 Ų5026%0.25723%0.233SC..EExtended strand (participates in β ladder)trans-142.6156.1-178.469.1-173.615.900111L21 A49L21-Q40 CarbonylContact O-C 3.51Å; L21-Q40 WeakPolarHBondContact O-CA 3.43Å; Q40-A49 HydrophobicContact CG-CB 4.27Å; Q40-A49 PolarHBondContact N-O 3.42Å; Q40-A49 PolarHBondContact O-N 2.89Å
41V94.2Very high90.1Very high2 Ų250.4 Ų50.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-99.3123.7171178.60000109.6L21 E22 M43 Q47 V48 L63 W120 L124 L127L21-V41 HydrophobicContact CB-CB 4.24Å; L21-V41 HydrophobicContact CB-CG2 3.89Å; L21-V41 HydrophobicContact CD2-CG2 4.05Å; L21-V41 HydrophobicContact CG-CG2 4.27Å; L21-V41 PolarHBondContact O-N 3.03Å; E22-V41 WeakPolarHBondContact CA-O 3.45Å; V41-M43 HydrophobicContact CG1-SD 3.82Å; V41-M43 PolarHBondContact O-N 3.44Å; V41-Q47 CarbonylContact C-O 3.56Å; V41-Q47 WeakPolarHBondContact CA-O 3.48Å; V41-V48 HydrophobicContact CG2-CG2 4.36Å; V41-L63 HydrophobicContact CG1-CD1 4.29Å; V41-W120 HydrophobicContact CG2-CH2 4.46Å; V41-W120 HydrophobicContact CG2-CZ3 4.27Å; V41-L124 HydrophobicContact CG2-CD2 4.43Å; V41-L127 HydrophobicContact CB-CD1 4.4Å; V41-L127 HydrophobicContact CG1-CD1 3.91Å; V41-L127 HydrophobicContact CG2-CD1 4.06Å
42I91.5Very high90.1Very high37 Ų3752.8 Ų52.819%0.1924%0.244CC..EExtended strand (participates in β ladder)trans-88.299.7171.4-55.4175000107.2E44 T45 R46 Q47 A49I42-E44 VanDerWaalsContact C-N 3.33Å; I42-E44 HydrophobicContact CG2-CG 3.83Å; I42-E44 PolarHBondContact O-N 2.93Å; I42-T45 WeakPolarHBondContact CB-OG1 3.38Å; I42-T45 HydrophobicContact CG2-CG2 4.31Å; I42-T45 VanDerWaalsContact CG2-OG1 3.23Å; I42-T45 WeakPolarHBondContact CG2-OG1 3.28Å; I42-T45 PolarHBondContact O-N 3.47Å; I42-R46 WeakPolarHBondContact O-CA 3.13Å; I42-R46 PolarHBondContact O-N 3.37Å; I42-Q47 PolarHBondContact N-O 3.5Å; I42-Q47 PolarHBondContact O-N 2.83Å; I42-A49 HydrophobicContact CD1-CB 3.75Å; I42-A49 HydrophobicContact CG1-CB 4.14Å
43M89.9Confident89.7Confident60 Ų6048.1 Ų48.130%0.29623%0.228SC..THydrogen-bonded Turntrans-62.9-38.1-171.6-65.5-66.5-80.900112.7K18 E22 V41 T45 R46 L127K18-M43 HydrophobicContact CB-CE 3.99Å; K18-M43 HydrophobicContact CD-CE 4.06Å; K18-M43 HydrophobicContact CG-CE 4.28Å; E22-M43 HydrophobicContact CB-CG 4.12Å; E22-M43 HydrophobicContact CG-CG 4.05Å; V41-M43 HydrophobicContact CG1-SD 3.82Å; V41-M43 PolarHBondContact O-N 3.44Å; M43-T45 PolarHBondContact O-N 3.16Å; M43-R46 WeakPolarHBondContact O-CG 3.26Å; M43-R46 PolarHBondContact O-N 3.06Å; M43-L127 HydrophobicContact CE-CD2 3.8Å; M43-L127 HydrophobicContact SD-CD2 3.84Å
44E88.3Confident88.9Confident84 Ų8445.1 Ų45.139%0.39323%0.231SC..THydrogen-bonded Turntrans-68.3-33.4-178.269.5-177.7150.800113.3I42 S142 R145 Y149I42-E44 VanDerWaalsContact C-N 3.33Å; I42-E44 HydrophobicContact CG2-CG 3.83Å; I42-E44 PolarHBondContact O-N 2.93Å; E44-S142 PolarHBondContact O-OG 3.09Å; E44-R145 IonicContact OE2-CZ 3.42Å; E44-R145 IonicContact OE2-NE 2.66Å; E44-R145 IonicContact OE2-NH1 2.62Å; E44-R145 PolarHBondContact OE2-NH1 2.66Å; E44-Y149 HydrophobicContact CG-CE2 4.42Å; E44-Y149 PolarHBondContact OE1-OH 3.29Å; E44-Y149 PolarHBondContact OE2-OH 2.89Å; E44-Y149 VanDerWaalsContact OE2-OH 3.09Å
45T89.4Confident87.8Confident0 Ų049.3 Ų49.30%025%0.247CC..THydrogen-bonded Turntrans-97.3-6.5174.4600000113.3I42 M43 Q47 S142 R145 K146 Y149I42-T45 WeakPolarHBondContact CB-OG1 3.38Å; I42-T45 HydrophobicContact CG2-CG2 4.31Å; I42-T45 VanDerWaalsContact CG2-OG1 3.23Å; I42-T45 WeakPolarHBondContact CG2-OG1 3.28Å; I42-T45 PolarHBondContact O-N 3.47Å; M43-T45 PolarHBondContact O-N 3.16Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.14Å; T45-Q47 PolarHBondContact OG1-OE1 3.21Å; T45-S142 VanDerWaalsContact C-OG 3.28Å; T45-S142 PolarHBondContact O-OG 3.31Å; T45-S142 VanDerWaalsContact O-OG 3.09Å; T45-R145 HydrophobicContact CG2-CB 3.81Å; T45-K146 HydrophobicContact CG2-CG 4.01Å; T45-K146 WeakPolarHBondContact O-CE 3.27Å; T45-Y149 HydrophobicContact CG2-CD2 3.61Å; T45-Y149 HydrophobicContact CG2-CE2 3.56Å
46R92.4Very high86.8Confident46 Ų4652.6 Ų52.617%0.17426%0.26CS..THydrogen-bonded Turntrans53.847.3-174.6-61.4176.2175.3-108.34.7111.7I42 M43 L63 E130 T131I42-R46 WeakPolarHBondContact O-CA 3.13Å; I42-R46 PolarHBondContact O-N 3.37Å; M43-R46 WeakPolarHBondContact O-CG 3.26Å; M43-R46 PolarHBondContact O-N 3.06Å; R46-L63 HydrophobicContact CB-CB 4.49Å; R46-L63 HydrophobicContact CB-CD1 3.97Å; R46-L63 VanDerWaalsContact O-CB 3.26Å; R46-L63 WeakPolarHBondContact O-CB 3.19Å; R46-L63 WeakPolarHBondContact O-CD1 3.48Å; R46-L63 WeakPolarHBondContact O-CG 3.35Å; R46-L63 PolarHBondContact O-N 3.42Å; R46-E130 PolarHBondContact NH1-O 3.27Å; R46-E130 VanDerWaalsContact NH1-O 3.1Å; R46-T131 PolarHBondContact NH1-OG1 3.39Å
47Q93.1Very high86.3Confident28 Ų2848.7 Ų48.713%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-122.8142.6-178.6-68.8175.3-4800112.1V41 I42 T45 L61 K146V41-Q47 CarbonylContact C-O 3.56Å; V41-Q47 WeakPolarHBondContact CA-O 3.48Å; I42-Q47 PolarHBondContact N-O 3.5Å; I42-Q47 PolarHBondContact O-N 2.83Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.14Å; T45-Q47 PolarHBondContact OG1-OE1 3.21Å; Q47-L61 CarbonylContact C-O 3.52Å; Q47-L61 WeakPolarHBondContact CA-O 3.25Å; Q47-L61 WeakPolarHBondContact CB-O 3.44Å; Q47-K146 HydrophobicContact CG-CD 4.48Å
48V94.5Very high85.8Confident0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-85.4119.9164.1-174.60000107.8V39 V41 V60 L61 L63 W120 L124V39-V48 HydrophobicContact CG1-CG1 3.76Å; V41-V48 HydrophobicContact CG2-CG2 4.36Å; V48-V60 CarbonylContact O-C 3.5Å; V48-V60 VanDerWaalsContact O-CA 3.31Å; V48-V60 WeakPolarHBondContact O-CA 3.37Å; V48-L61 HydrophobicContact CB-CB 4.37Å; V48-L61 HydrophobicContact CB-CD2 4.2Å; V48-L61 HydrophobicContact CG2-CD2 4.06Å; V48-L61 PolarHBondContact N-O 2.86Å; V48-L61 PolarHBondContact O-N 3.38Å; V48-L63 HydrophobicContact CG2-CD2 3.76Å; V48-W120 HydrophobicContact CG1-CZ3 4.46Å; V48-L124 HydrophobicContact CG2-CD2 3.68Å
49A92.1Very high85.5Confident0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-114142.117900000110.6V39 Q40 I42 T57 G59 V60V39-A49 CarbonylContact C-O 3.49Å; V39-A49 WeakPolarHBondContact CA-O 3.48Å; Q40-A49 HydrophobicContact CG-CB 4.27Å; Q40-A49 PolarHBondContact N-O 3.42Å; Q40-A49 PolarHBondContact O-N 2.89Å; I42-A49 HydrophobicContact CD1-CB 3.75Å; I42-A49 HydrophobicContact CG1-CB 4.14Å; A49-T57 HydrophobicContact CB-CG2 4.34Å; A49-G59 WeakPolarHBondContact CA-O 3.49Å; A49-V60 HydrophobicContact CB-CG1 3.95Å
50W92.1Very high85.4Confident10 Ų1052.4 Ų52.44%0.03828%0.277CS..EExtended strand (participates in β ladder)trans-121.4131.2170.154.887000110R31 L37 T38 V39 D58 G59 L61 L107R31-W50 VanDerWaalsContact NH2-CD2 3.3Å; L37-W50 HydrophobicContact CB-CB 4.36Å; L37-W50 HydrophobicContact CD1-CB 4.35Å; L37-W50 HydrophobicContact CD1-CG 4.37Å; T38-W50 CarbonylContact O-C 3.53Å; T38-W50 VanDerWaalsContact O-CA 3.29Å; T38-W50 WeakPolarHBondContact O-CA 3.38Å; V39-W50 HydrophobicContact CG2-CB 4.27Å; W50-D58 VanDerWaalsContact NE1-C 3.28Å; W50-D58 PolarHBondContact NE1-O 2.98Å; W50-D58 PolarHBondContact O-N 3.47Å; W50-G59 PolarHBondContact N-O 3.02Å; W50-G59 PolarHBondContact O-N 2.87Å; W50-L61 HydrophobicContact CH2-CB 4.14Å; W50-L61 HydrophobicContact CZ3-CB 3.77Å; W50-L107 HydrophobicContact CE3-CD2 3.8Å; W50-L107 HydrophobicContact CH2-CD2 4.41Å; W50-L107 HydrophobicContact CZ3-CD2 3.6Å
51T89.1Confident85.3Confident11 Ų1150 Ų507%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-130.8143.7-170.857.60000110.5T38 T57T38-T51 PolarHBondContact N-O 3.36Å; T38-T51 PolarHBondContact O-N 3.03Å; T38-T51 PolarHBondContact O-OG1 2.64Å; T51-T57 HydrophobicContact CG2-CG2 4.03Å
52R83.2Confident85.3Confident133 Ų13350.6 Ų50.650%0.50227%0.269SS..EExtended strand (participates in β ladder)trans-91.7-33.2175.2-169.7178.5-57.3-138.8-11.5112.1E35 L37 K56 D58E35-R52 IonicContact OE1-CZ 2.6Å; E35-R52 IonicContact OE1-NH1 3.25Å; E35-R52 PolarHBondContact OE1-NH1 3.44Å; E35-R52 IonicContact OE1-NH2 3.11Å; E35-R52 PolarHBondContact OE1-NH2 3.34Å; E35-R52 IonicContact OE2-NH2 3.03Å; E35-R52 PolarHBondContact OE2-NH2 2.68Å; L37-R52 HydrophobicContact CD2-CB 3.83Å; L37-R52 HydrophobicContact CD2-CG 4.13Å; R52-K56 PolarHBondContact N-O 3.32Å; R52-D58 WeakPolarHBondContact CB-OD2 3.46Å; R52-D58 IonicContact CZ-OD2 3.5Å; R52-D58 IonicContact NE-OD2 3.87Å; R52-D58 PolarHBondContact NE-OD2 3.49Å; R52-D58 IonicContact NH2-OD2 3.55Å; R52-D58 PolarHBondContact NH2-OD2 3.01Å
53T72.4Confident85.3Confident78 Ų7849 Ų4948%0.47926%0.261SS..EExtended strand (participates in β ladder)trans-141.5158.6176.957.30000107.9D55 K56T53-D55 PolarHBondContact O-N 3.15Å; T53-K56 PolarHBondContact O-N 2.82Å; T53-K56 VanDerWaalsContact O-N 3.13Å; T53-K56 WeakPolarHBondContact OG1-CB 3.16Å; T53-K56 PolarHBondContact OG1-N 2.77Å
54A65.8Low85.4Confident88 Ų8847.4 Ų47.473%0.72726%0.256SS*.THydrogen-bonded Turntrans-54.5-2817900000113.1K155A54-K155 PolarHBondContact O-NZ 3.07Å
55D60.4Low85.6Confident138 Ų13846.8 Ų46.874%0.73825%0.253SS*.THydrogen-bonded Turntrans-91.1-22.3-176.4-61.5-38.2000113.7T53 K155T53-D55 PolarHBondContact O-N 3.15Å; D55-K155 VanDerWaalsContact C-NZ 3.32Å; D55-K155 VanDerWaalsContact O-CE 3.24Å; D55-K155 WeakPolarHBondContact O-CE 3.46Å; D55-K155 PolarHBondContact O-NZ 2.6Å
56K69.3Low85.8Confident135 Ų13547 Ų4759%0.58725%0.254SS*.EExtended strand (participates in β ladder)trans-120.5110.2-174.9-166.7176.5179.1178.30112.8R52 T53R52-K56 PolarHBondContact N-O 3.32Å; T53-K56 PolarHBondContact O-N 2.82Å; T53-K56 VanDerWaalsContact O-N 3.13Å; T53-K56 WeakPolarHBondContact OG1-CB 3.16Å; T53-K56 PolarHBondContact OG1-N 2.77Å
57T79.4Confident85.8Confident64 Ų6447.4 Ų47.439%0.39326%0.256SS..EExtended strand (participates in β ladder)trans-82.5118170.2-50.10000109.3A49 T51 G59 V60A49-T57 HydrophobicContact CB-CG2 4.34Å; T51-T57 HydrophobicContact CG2-CG2 4.03Å; T57-G59 VanDerWaalsContact C-N 3.33Å; T57-G59 WeakPolarHBondContact CG2-O 3.38Å; T57-V60 HydrophobicContact CG2-CG1 3.86Å
58D82.8Confident85.7Confident46 Ų4646.6 Ų46.625%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-82-17.7-179.6-80.1-1.7000111.1W50 R52W50-D58 VanDerWaalsContact NE1-C 3.28Å; W50-D58 PolarHBondContact NE1-O 2.98Å; W50-D58 PolarHBondContact O-N 3.47Å; R52-D58 WeakPolarHBondContact CB-OD2 3.46Å; R52-D58 IonicContact CZ-OD2 3.5Å; R52-D58 IonicContact NE-OD2 3.87Å; R52-D58 PolarHBondContact NE-OD2 3.49Å; R52-D58 IonicContact NH2-OD2 3.55Å; R52-D58 PolarHBondContact NH2-OD2 3.01Å
59G87.3Confident85.7Confident18 Ų1847.5 Ų47.519%0.18626%0.257CS..EExtended strand (participates in β ladder)trans170.5171.9166.500000113.7A49 W50 T57A49-G59 WeakPolarHBondContact CA-O 3.49Å; W50-G59 PolarHBondContact N-O 3.02Å; W50-G59 PolarHBondContact O-N 2.87Å; T57-G59 VanDerWaalsContact C-N 3.33Å; T57-G59 WeakPolarHBondContact CG2-O 3.38Å
60V91.3Very high85.7Confident68 Ų6848.3 Ų48.341%0.41226%0.26SS..EExtended strand (participates in β ladder)trans-136.8153.4-177.3-63.90000110.4V48 A49 T57V48-V60 CarbonylContact O-C 3.5Å; V48-V60 VanDerWaalsContact O-CA 3.31Å; V48-V60 WeakPolarHBondContact O-CA 3.37Å; A49-V60 HydrophobicContact CB-CG1 3.95Å; T57-V60 HydrophobicContact CG2-CG1 3.86Å
61L93.5Very high85.7Confident3 Ų351.9 Ų51.92%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-135.3131.7178171.4157.9000108.3Q47 V48 W50 I66 I96 Y98 L107Q47-L61 CarbonylContact C-O 3.52Å; Q47-L61 WeakPolarHBondContact CA-O 3.25Å; Q47-L61 WeakPolarHBondContact CB-O 3.44Å; V48-L61 HydrophobicContact CB-CB 4.37Å; V48-L61 HydrophobicContact CB-CD2 4.2Å; V48-L61 HydrophobicContact CG2-CD2 4.06Å; V48-L61 PolarHBondContact N-O 2.86Å; V48-L61 PolarHBondContact O-N 3.38Å; W50-L61 HydrophobicContact CH2-CB 4.14Å; W50-L61 HydrophobicContact CZ3-CB 3.77Å; L61-I66 HydrophobicContact CD2-CD1 3.79Å; L61-I66 HydrophobicContact CD2-CG1 3.61Å; L61-I96 HydrophobicContact CD1-CG2 4.05Å; L61-Y98 HydrophobicContact CD1-CD1 3.29Å; L61-Y98 HydrophobicContact CD1-CD2 3.61Å; L61-Y98 HydrophobicContact CD1-CE1 3.54Å; L61-Y98 HydrophobicContact CD1-CE2 3.83Å; L61-Y98 HydrophobicContact CD1-CG 3.32Å; L61-Y98 HydrophobicContact CG-CD1 4.38Å; L61-Y98 HydrophobicContact CG-CD2 3.84Å; L61-Y98 HydrophobicContact CG-CE2 4.15Å; L61-Y98 HydrophobicContact CG-CG 3.96Å; L61-L107 HydrophobicContact CD1-CB 4.45Å; L61-L107 HydrophobicContact CD1-CD2 4.12Å
62D92.8Very high85.7Confident16 Ų1651.9 Ų51.99%0.08629%0.287CS..EExtended strand (participates in β ladder)trans-78.4134.2178-153.9-49000111.4S64 E65 K146D62-S64 PolarHBondContact O-N 3.11Å; D62-S64 PolarHBondContact OD1-N 3.38Å; D62-S64 PolarHBondContact OD1-OG 3.24Å; D62-S64 VanDerWaalsContact OD1-OG 3.12Å; D62-E65 HydrophobicContact CB-CB 4.41Å; D62-E65 HydrophobicContact CB-CG 4.1Å; D62-E65 PolarHBondContact O-N 3.07Å; D62-E65 VanDerWaalsContact O-N 3.11Å; D62-K146 IonicContact OD1-NZ 2.73Å; D62-K146 IonicContact OD2-NZ 3.14Å; D62-K146 PolarHBondContact OD2-NZ 3.34Å
63L93.3Very high85.9Confident2 Ų248.5 Ų48.51%0.0127%0.274CS..G310 helixtrans-62.6-28.2175.2-71.3173000111.9V41 R46 V48 E65 I66 L124 L127 T131V41-L63 HydrophobicContact CG1-CD1 4.29Å; R46-L63 HydrophobicContact CB-CB 4.49Å; R46-L63 HydrophobicContact CB-CD1 3.97Å; R46-L63 VanDerWaalsContact O-CB 3.26Å; R46-L63 WeakPolarHBondContact O-CB 3.19Å; R46-L63 WeakPolarHBondContact O-CD1 3.48Å; R46-L63 WeakPolarHBondContact O-CG 3.35Å; R46-L63 PolarHBondContact O-N 3.42Å; V48-L63 HydrophobicContact CG2-CD2 3.76Å; L63-E65 PolarHBondContact O-N 3.2Å; L63-I66 HydrophobicContact CD2-CD1 3.67Å; L63-I66 PolarHBondContact O-N 3.02Å; L63-L124 HydrophobicContact CD2-CD2 4.18Å; L63-L127 HydrophobicContact CD1-CB 3.87Å; L63-L127 HydrophobicContact CD1-CD1 4.5Å; L63-L127 HydrophobicContact CD2-CB 4.37Å; L63-T131 HydrophobicContact CB-CG2 4.35Å
64S90.6Very high86.4Confident27 Ų2748.3 Ų48.319%0.18927%0.27CS..G310 helixtrans-67.4-23.6175.971.10000113.1D62D62-S64 PolarHBondContact O-N 3.11Å; D62-S64 PolarHBondContact OD1-N 3.38Å; D62-S64 PolarHBondContact OD1-OG 3.24Å; D62-S64 VanDerWaalsContact OD1-OG 3.12Å
65E92.9Very high87.3Confident71 Ų7144.6 Ų44.633%0.33224%0.239SC..G310 helixtrans-85.9-11.9-180-71.5-171.2178.400113.4D62 L63 R67 Y98 G99D62-E65 HydrophobicContact CB-CB 4.41Å; D62-E65 HydrophobicContact CB-CG 4.1Å; D62-E65 PolarHBondContact O-N 3.07Å; D62-E65 VanDerWaalsContact O-N 3.11Å; L63-E65 PolarHBondContact O-N 3.2Å; E65-R67 PolarHBondContact O-N 3.41Å; E65-Y98 CarbonylContact O-C 3.57Å; E65-Y98 WeakPolarHBondContact O-CA 3.17Å; E65-Y98 WeakPolarHBondContact O-CB 3.49Å; E65-G99 PolarHBondContact O-N 3.4Å
66I94.5Very high88.3Confident6 Ų642.3 Ų42.33%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-67117.2-180-62.4-178.8000109.5L61 L63 V69 I96 R128L61-I66 HydrophobicContact CD2-CD1 3.79Å; L61-I66 HydrophobicContact CD2-CG1 3.61Å; L63-I66 HydrophobicContact CD2-CD1 3.67Å; L63-I66 PolarHBondContact O-N 3.02Å; I66-V69 HydrophobicContact CG2-CG2 3.76Å; I66-I96 HydrophobicContact CD1-CG2 4.03Å; I66-I96 HydrophobicContact CG1-CG2 3.89Å; I66-I96 HydrophobicContact CG2-CG2 4.14Å; I66-R128 HydrophobicContact CB-CG 4.43Å; I66-R128 WeakPolarHBondContact O-CD 3.41Å
67R91.9Very high89Confident53 Ų5336.8 Ų36.820%0.220%0.199CC..EExtended strand (participates in β ladder)trans-93-31174.3-55.6-51.8172.1174.1-3.1111.8E65 F97 G99 L104 R128 E1162E65-R67 PolarHBondContact O-N 3.41Å; R67-F97 PolarHBondContact N-O 3.45Å; R67-G99 PolarHBondContact NE-O 2.99Å; R67-G99 PolarHBondContact NH2-O 3.47Å; R67-L104 HydrophobicContact CB-CD1 3.76Å; R67-L104 HydrophobicContact CG-CD1 3.92Å; R67-L104 HydrophobicContact CG-CD2 3.84Å; R67-R128 PolarHBondContact O-NH1 3.04Å; R67-E1162 IonicContact CZ-OE1 2.87Å; R67-E1162 IonicContact CZ-OE2 3.46Å; R67-E1162 IonicContact NE-OE1 3.4Å; R67-E1162 IonicContact NE-OE2 3.53Å; R67-E1162 IonicContact NH1-OE1 3.36Å; R67-E1162 IonicContact NH1-OE2 2.92Å; R67-E1162 PolarHBondContact NH1-OE2 3.3Å; R67-E1162 VanDerWaalsContact NH2-CD 3.3Å; R67-E1162 IonicContact NH2-OE1 3.15Å; R67-E1162 IonicContact NH2-OE2 2.81Å; R67-E1162 PolarHBondContact NH2-OE2 3.03Å
68E91.4Very high89.3Confident12 Ų1234 Ų346%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-163.4147-176.8-174.4175.5-171.200111.8R70 F97 R347 H388E68-R70 VanDerWaalsContact CD-CG 3.47Å; E68-R70 HydrophobicContact CG-CG 3.73Å; E68-R70 WeakPolarHBondContact OE1-CD 3.35Å; E68-R70 WeakPolarHBondContact OE1-CG 3.45Å; E68-R70 IonicContact OE1-CZ 2.86Å; E68-R70 IonicContact OE1-NE 3.24Å; E68-R70 PolarHBondContact OE1-NE 3.38Å; E68-R70 IonicContact OE2-CZ 2.57Å; E68-R70 IonicContact OE2-NE 3.24Å; E68-R70 PolarHBondContact OE2-NE 3.29Å; E68-R70 IonicContact OE2-NH2 3.47Å; E68-R70 PolarHBondContact OE2-NH2 3.48Å; E68-F97 HydrophobicContact CB-CB 4.19Å; E68-F97 HydrophobicContact CB-CD2 4.5Å; E68-F97 PolarHBondContact N-O 3.41Å; E68-F97 PolarHBondContact O-N 2.94Å; E68-R347 IonicContact OE1-CZ 3.84Å; E68-R347 IonicContact OE1-NE 3.67Å; E68-R347 PolarHBondContact OE1-NE 2.89Å; E68-R347 IonicContact OE1-NH2 3.61Å; E68-R347 PolarHBondContact OE1-NH2 2.87Å; E68-R347 IonicContact OE2-CZ 2.73Å; E68-R347 IonicContact OE2-NE 2.82Å; E68-R347 PolarHBondContact OE2-NE 3.38Å; E68-R347 IonicContact OE2-NH2 3.42Å; E68-H388 IonicContact OE1-CE1 3.49Å; E68-H388 PolarHBondContact OE1-CE1 3.46Å; E68-H388 IonicContact OE1-ND1 2.85Å
69V93.2Very high89Confident18 Ų1837 Ų3711%0.10920%0.195CC..EExtended strand (participates in β ladder)trans-121.8120165.6-165.50000108I66 F94 T95 I96 L121 L124I66-V69 HydrophobicContact CG2-CG2 3.76Å; V69-F94 HydrophobicContact CG1-CD2 3.76Å; V69-F94 HydrophobicContact CG1-CE2 4.31Å; V69-T95 CarbonylContact C-O 3.6Å; V69-T95 WeakPolarHBondContact CA-O 3.25Å; V69-I96 HydrophobicContact CG1-CG1 4.08Å; V69-I96 HydrophobicContact CG2-CG1 4.45Å; V69-L121 HydrophobicContact CB-CD2 4.35Å; V69-L121 HydrophobicContact CG1-CD2 3.59Å; V69-L124 HydrophobicContact CG1-CD1 4.25Å; V69-L124 HydrophobicContact CG2-CB 4.19Å; V69-L124 HydrophobicContact CG2-CD1 4.44Å
70R92.1Very high88.6Confident17 Ų1743.6 Ų43.66%0.06421%0.214CC..EExtended strand (participates in β ladder)trans-111.6129.7-178-61.5-171.8-156.8142.317.7111.7E68 F94 T95 F97 E340E68-R70 VanDerWaalsContact CD-CG 3.47Å; E68-R70 HydrophobicContact CG-CG 3.73Å; E68-R70 WeakPolarHBondContact OE1-CD 3.35Å; E68-R70 WeakPolarHBondContact OE1-CG 3.45Å; E68-R70 IonicContact OE1-CZ 2.86Å; E68-R70 IonicContact OE1-NE 3.24Å; E68-R70 PolarHBondContact OE1-NE 3.38Å; E68-R70 IonicContact OE2-CZ 2.57Å; E68-R70 IonicContact OE2-NE 3.24Å; E68-R70 PolarHBondContact OE2-NE 3.29Å; E68-R70 IonicContact OE2-NH2 3.47Å; E68-R70 PolarHBondContact OE2-NH2 3.48Å; R70-F94 CarbonylContact O-C 3.58Å; R70-F94 WeakPolarHBondContact O-CA 3.02Å; R70-F94 VanDerWaalsContact O-CB 3.26Å; R70-F94 WeakPolarHBondContact O-CB 3.36Å; R70-T95 PolarHBondContact N-O 2.89Å; R70-T95 PolarHBondContact O-N 2.78Å; R70-F97 HydrophobicContact CB-CE2 4.17Å; R70-F97 HydrophobicContact CG-CD2 4.17Å; R70-F97 HydrophobicContact CG-CE2 3.82Å; R70-F97 VanDerWaalsContact CZ-CE2 3.42Å; R70-E340 IonicContact CZ-OE1 3Å; R70-E340 IonicContact CZ-OE2 3.74Å; R70-E340 VanDerWaalsContact CZ-OE2 3.32Å; R70-E340 VanDerWaalsContact NH1-CD 3.27Å; R70-E340 IonicContact NH1-OE1 3.69Å; R70-E340 PolarHBondContact NH1-OE1 2.84Å; R70-E340 IonicContact NH1-OE2 3.03Å; R70-E340 PolarHBondContact NH1-OE2 2.82Å; R70-E340 VanDerWaalsContact NH1-OE2 3.08Å; R70-E340 IonicContact NH2-OE1 2.66Å; R70-E340 IonicContact NH2-OE2 3.45Å; R70-E340 PolarHBondContact NH2-OE2 3.11Å
71P92.6Very high87.8Confident85 Ų8542.6 Ų42.655%0.55220%0.204SC*.EExtended strand (participates in β ladder)trans-70.4145.5169.130.3-33.7000111N74 L121P71-N74 PolarHBondContact O-ND2 2.85Å; P71-L121 HydrophobicContact CB-CD1 3.79Å; P71-L121 HydrophobicContact CB-CD2 4.4Å
72G89.3Confident86.5Confident11 Ų1149.1 Ų49.111%0.11323%0.232CC..SBendtrans96.5-170.4179.900000114.3N74 D90 C93G72-N74 PolarHBondContact O-N 2.81Å; G72-D90 WeakPolarHBondContact CA-O 3.48Å; G72-C93 PolarHBondContact N-O 3.46Å
73R87.4Confident84.9Confident63 Ų6355.5 Ų55.524%0.23827%0.266CS..SBendtrans-100.863.9-175.9-63.6-178.4-178.9-124.9-17.1112.2S75 F78 D86 H88 D90 C93R73-S75 PolarHBondContact O-N 3.21Å; R73-F78 VanDerWaalsContact CA-CD2 3.46Å; R73-F78 HydrophobicContact CB-CB 4.07Å; R73-F78 HydrophobicContact CB-CD1 4.47Å; R73-F78 HydrophobicContact CB-CD2 3.74Å; R73-F78 HydrophobicContact CB-CE2 4.25Å; R73-F78 HydrophobicContact CB-CG 3.86Å; R73-F78 HydrophobicContact CG-CB 4.44Å; R73-F78 HydrophobicContact CG-CD1 4.08Å; R73-F78 HydrophobicContact CG-CD2 4.12Å; R73-F78 HydrophobicContact CG-CE1 4.33Å; R73-F78 HydrophobicContact CG-CE2 4.35Å; R73-F78 HydrophobicContact CG-CG 3.97Å; R73-F78 HydrophobicContact CG-CZ 4.46Å; R73-D86 IonicContact CZ-OD2 2.83Å; R73-D86 IonicContact NH1-OD2 3.23Å; R73-D86 PolarHBondContact NH1-OD2 3.4Å; R73-D86 VanDerWaalsContact NH2-CG 3.26Å; R73-D86 IonicContact NH2-OD1 2.73Å; R73-D86 PolarHBondContact NH2-OD1 3.07Å; R73-D86 IonicContact NH2-OD2 3.83Å; R73-D86 PolarHBondContact NH2-OD2 3.46Å; R73-H88 VanDerWaalsContact NH2-C 3.33Å; R73-H88 PolarHBondContact NH2-O 2.68Å; R73-D90 WeakPolarHBondContact CD-OD1 3.27Å; R73-D90 WeakPolarHBondContact CG-OD1 3.35Å; R73-D90 IonicContact NE-OD1 2.7Å; R73-D90 PolarHBondContact NE-OD1 3.33Å; R73-C93 HydrophobicContact CG-CB 4Å
74N82.9Confident83.2Confident73 Ų7358.8 Ų58.839%0.3930%0.301SS..  trans-99.728.3-169.2-49-53.7000113.5P71 G72P71-N74 PolarHBondContact O-ND2 2.85Å; G72-N74 PolarHBondContact O-N 2.81Å
75S85.1Confident81.9Confident10 Ų1067 Ų677%0.0733%0.333CS..SBendtrans-133.3154.7-17872.30000111.9R73 D77 F78 S108R73-S75 PolarHBondContact O-N 3.21Å; S75-D77 PolarHBondContact O-N 3.44Å; S75-F78 PolarHBondContact O-N 3.07Å; S75-F78 WeakPolarHBondContact OG-CD2 3.43Å; S75-S108 WeakPolarHBondContact CB-OG 3.5Å; S75-S108 PolarHBondContact OG-OG 2.88Å
76K81.3Confident80.7Confident90 Ų9065.4 Ų65.439%0.39133%0.327SS..Hα-helixtrans-62-23.1174.3-66.8-178.7-176.7169.90112.8F78 E79 E336K76-F78 VanDerWaalsContact C-N 3.3Å; K76-F78 PolarHBondContact O-N 3.28Å; K76-E79 PolarHBondContact O-N 2.99Å; K76-E336 IonicContact NZ-OE1 2.94Å; K76-E336 PolarHBondContact NZ-OE1 3.4Å; K76-E336 IonicContact NZ-OE2 3.38Å; K76-E336 PolarHBondContact NZ-OE2 3.09Å
77D84.1Confident79.7Confident19 Ų1974.4 Ų74.410%0.10237%0.366CS..Hα-helixtrans-60-42176.7-60.2-35.9000111.3F30 S75 E79 R80 F81 T106 S108F30-D77 HydrophobicContact CB-CB 4.35Å; S75-D77 PolarHBondContact O-N 3.44Å; D77-E79 VanDerWaalsContact C-N 3.29Å; D77-E79 PolarHBondContact O-N 3.17Å; D77-R80 PolarHBondContact O-N 3.2Å; D77-F81 WeakPolarHBondContact O-CD2 3.17Å; D77-T106 PolarHBondContact OD2-OG1 2.72Å; D77-S108 WeakPolarHBondContact CB-OG 3.43Å; D77-S108 WeakPolarHBondContact OD2-CB 3.35Å; D77-S108 PolarHBondContact OD2-OG 3.41Å
78F84.1Confident79.1Confident5 Ų573.1 Ų73.12%0.02236%0.362CS..Hα-helixtrans-68.4-28.7179.8-70.5-66000112.8F30 R73 S75 K76 R80 F81 C93 T95F30-F78 HydrophobicContact CB-CE1 4.48Å; F30-F78 HydrophobicContact CD1-CD1 4.25Å; F30-F78 HydrophobicContact CD1-CE1 4.38Å; F30-F78 HydrophobicContact CD2-CD1 4.15Å; F30-F78 AromaticContact CD2-CE1 3.48Å; F30-F78 HydrophobicContact CD2-CE1 3.48Å; F30-F78 VanDerWaalsContact CD2-CE1 3.48Å; F30-F78 HydrophobicContact CD2-CZ 4.26Å; F30-F78 HydrophobicContact CE1-CD1 4.43Å; F30-F78 HydrophobicContact CE1-CE1 4.49Å; F30-F78 HydrophobicContact CE2-CD1 4.34Å; F30-F78 AromaticContact CE2-CE1 3.63Å; F30-F78 HydrophobicContact CE2-CE1 3.63Å; F30-F78 HydrophobicContact CG-CD1 4.09Å; F30-F78 AromaticContact CG-CE1 3.88Å; F30-F78 HydrophobicContact CG-CE1 3.88Å; F30-F78 HydrophobicContact CZ-CD1 4.46Å; F30-F78 HydrophobicContact CZ-CE1 4.13Å; R73-F78 VanDerWaalsContact CA-CD2 3.46Å; R73-F78 HydrophobicContact CB-CB 4.07Å; R73-F78 HydrophobicContact CB-CD1 4.47Å; R73-F78 HydrophobicContact CB-CD2 3.74Å; R73-F78 HydrophobicContact CB-CE2 4.25Å; R73-F78 HydrophobicContact CB-CG 3.86Å; R73-F78 HydrophobicContact CG-CB 4.44Å; R73-F78 HydrophobicContact CG-CD1 4.08Å; R73-F78 HydrophobicContact CG-CD2 4.12Å; R73-F78 HydrophobicContact CG-CE1 4.33Å; R73-F78 HydrophobicContact CG-CE2 4.35Å; R73-F78 HydrophobicContact CG-CG 3.97Å; R73-F78 HydrophobicContact CG-CZ 4.46Å; S75-F78 PolarHBondContact O-N 3.07Å; S75-F78 WeakPolarHBondContact OG-CD2 3.43Å; K76-F78 VanDerWaalsContact C-N 3.3Å; K76-F78 PolarHBondContact O-N 3.28Å; F78-R80 PolarHBondContact O-N 3.02Å; F78-F81 PolarHBondContact O-N 3.29Å; F78-C93 HydrophobicContact CE1-CB 4.12Å; F78-C93 HydrophobicContact CZ-CB 3.81Å; F78-T95 WeakPolarHBondContact CE2-OG1 3.41Å
79E78.3Confident78.6Confident111 Ų11178 Ų7852%0.51939%0.389SS..Hα-helixtrans-65.5-30.2-179.9-54.8-156.4113.200112.7K76 D77 F81 K82K76-E79 PolarHBondContact O-N 2.99Å; D77-E79 VanDerWaalsContact C-N 3.29Å; D77-E79 PolarHBondContact O-N 3.17Å; E79-F81 PolarHBondContact O-N 3.32Å; E79-K82 HydrophobicContact CB-CD 4.42Å; E79-K82 PolarHBondContact O-N 2.96Å; E79-K82 IonicContact OE1-NZ 2.66Å; E79-K82 PolarHBondContact OE1-NZ 2.7Å
80R77.6Confident78.2Confident156 Ų15681.7 Ų81.759%0.58941%0.407SS*.THydrogen-bonded Turntrans-68-16.6178.1-62.9177.1178.1176.9-1.5113.8D77 F78D77-R80 PolarHBondContact O-N 3.2Å; F78-R80 PolarHBondContact O-N 3.02Å
81F75.1Confident78Confident46 Ų4686.8 Ų86.820%0.20244%0.436CS..THydrogen-bonded Turntrans-116.719.2-175.4-58.7-80.3000113.1F30 R31 A34 D77 F78 E79 D83F30-F81 HydrophobicContact CB-CE2 4.4Å; F30-F81 HydrophobicContact CD1-CB 4.47Å; F30-F81 AromaticContact CD1-CD2 3.74Å; F30-F81 HydrophobicContact CD1-CD2 3.74Å; F30-F81 HydrophobicContact CD1-CE2 4.24Å; F30-F81 HydrophobicContact CD1-CG 4.17Å; R31-F81 WeakPolarHBondContact O-CE2 3.37Å; A34-F81 HydrophobicContact CB-CD1 4.3Å; A34-F81 HydrophobicContact CB-CE1 4.09Å; A34-F81 HydrophobicContact CB-CZ 4.39Å; D77-F81 WeakPolarHBondContact O-CD2 3.17Å; F78-F81 PolarHBondContact O-N 3.29Å; E79-F81 PolarHBondContact O-N 3.32Å; F81-D83 PolarHBondContact O-N 3.25Å; F81-D83 VanDerWaalsContact O-N 3.09Å
82K66.1Low78Confident141 Ų14183.4 Ų83.461%0.61341%0.414SS*.  trans-64.1-8.1178-77.4174.7174.2170.30114.3E79 G84E79-K82 HydrophobicContact CB-CD 4.42Å; E79-K82 PolarHBondContact O-N 2.96Å; E79-K82 IonicContact OE1-NZ 2.66Å; E79-K82 PolarHBondContact OE1-NZ 2.7Å; K82-G84 PolarHBondContact O-N 3.13Å
83D60.1Low78.2Confident150 Ų15083 Ų8380%0.80241%0.409SS*.SBendtrans-73.925.2-176.3-62.9-18.8000115.9F81 K85F81-D83 PolarHBondContact O-N 3.25Å; F81-D83 VanDerWaalsContact O-N 3.09Å; D83-K85 VanDerWaalsContact C-N 3.34Å; D83-K85 PolarHBondContact O-N 3.22Å
84G56.9Low78.5Confident71 Ų7180 Ų8073%0.73240%0.398SS*.SBendtrans74.88168.800000117.2K82K82-G84 PolarHBondContact O-N 3.13Å
85K62.6Low79.1Confident198 Ų19876.5 Ų76.586%0.86138%0.379SS*.  trans-87.4-6.7171.6-72.1-178-178.8171.90113.9D83D83-K85 VanDerWaalsContact C-N 3.34Å; D83-K85 PolarHBondContact O-N 3.22Å
86D69.1Low79.6Confident39 Ų3976 Ų7621%0.20938%0.376CS..  trans-87.5130.1-178.6-170.4-4.8000111.1R73 H88R73-D86 IonicContact CZ-OD2 2.83Å; R73-D86 IonicContact NH1-OD2 3.23Å; R73-D86 PolarHBondContact NH1-OD2 3.4Å; R73-D86 VanDerWaalsContact NH2-CG 3.26Å; R73-D86 IonicContact NH2-OD1 2.73Å; R73-D86 PolarHBondContact NH2-OD1 3.07Å; R73-D86 IonicContact NH2-OD2 3.83Å; R73-D86 PolarHBondContact NH2-OD2 3.46Å; D86-H88 WeakPolarHBondContact OD1-CB 3.45Å; D86-H88 IonicContact OD1-CD2 3.96Å; D86-H88 PolarHBondContact OD1-CD2 2.72Å; D86-H88 IonicContact OD1-CG 2.6Å; D86-H88 PolarHBondContact OD1-N 2.97Å
87K72Confident80.2Confident195 Ų19572 Ų7285%0.84836%0.358SS*.  trans-99.9-6.3-178.8-65.7-175.7179.5-178.80113.3
88H79.6Confident80.7Confident25 Ų2572.9 Ų72.912%0.11636%0.361CS..  trans-84.4149.8-175.1-67.3-71.7000111.2T28 F30 R73 D86 C93 A111 D112T28-H88 WeakPolarHBondContact CB-NE2 3.36Å; T28-H88 PolarHBondContact OG1-NE2 3.07Å; F30-H88 AromaticContact CZ-CD2 3.97Å; R73-H88 VanDerWaalsContact NH2-C 3.33Å; R73-H88 PolarHBondContact NH2-O 2.68Å; D86-H88 WeakPolarHBondContact OD1-CB 3.45Å; D86-H88 IonicContact OD1-CD2 3.96Å; D86-H88 PolarHBondContact OD1-CD2 2.72Å; D86-H88 IonicContact OD1-CG 2.6Å; D86-H88 PolarHBondContact OD1-N 2.97Å; H88-C93 VanDerWaalsContact CB-SG 3.59Å; H88-A111 PolarHBondContact CE1-O 3.19Å; H88-A111 VanDerWaalsContact CE1-O 3.28Å; H88-A111 PolarHBondContact ND1-O 3.5Å; H88-D112 IonicContact CE1-OD1 2.86Å
89N81.8Confident81.1Confident116 Ų11672.9 Ų72.962%0.6236%0.361SS*.  trans-101.9166.6172-71.2-16.4000109.3N91 T92 C93N89-N91 PolarHBondContact O-N 2.9Å; N89-N91 VanDerWaalsContact O-N 3.17Å; N89-T92 PolarHBondContact N-OG1 3.46Å; N89-T92 VanDerWaalsContact N-OG1 3.09Å; N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 2.92Å; N89-T92 VanDerWaalsContact O-OG1 3.07Å; N89-C93 PolarHBondContact O-N 3.13Å
90D83.7Confident81.7Confident94 Ų9469.5 Ų69.550%0.50335%0.35SS..G310 helixtrans-55.2-37.7178.4-68.8-10000112.5G72 R73 T92 C93G72-D90 WeakPolarHBondContact CA-O 3.48Å; R73-D90 WeakPolarHBondContact CD-OD1 3.27Å; R73-D90 WeakPolarHBondContact CG-OD1 3.35Å; R73-D90 IonicContact NE-OD1 2.7Å; R73-D90 PolarHBondContact NE-OD1 3.33Å; D90-T92 PolarHBondContact O-N 3.22Å; D90-C93 PolarHBondContact O-N 3.41Å
91N88.3Confident82.4Confident124 Ų12466.7 Ų66.766%0.66334%0.344SS*.G310 helixtrans-73.3-12-179.7-63.5-18000114.4N89 V114N89-N91 PolarHBondContact O-N 2.9Å; N89-N91 VanDerWaalsContact O-N 3.17Å; N91-V114 HydrophobicContact CB-CG1 4.4Å; N91-V114 HydrophobicContact CB-CG2 3.97Å
92T91.8Very high83.3Confident15 Ų1564.9 Ų64.99%0.09234%0.336CS..G310 helixtrans-102.3-3.1174.266.40000112.3N89 D90 A111 V114N89-T92 PolarHBondContact N-OG1 3.46Å; N89-T92 VanDerWaalsContact N-OG1 3.09Å; N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 2.92Å; N89-T92 VanDerWaalsContact O-OG1 3.07Å; D90-T92 PolarHBondContact O-N 3.22Å; T92-A111 WeakPolarHBondContact CB-O 3.47Å; T92-A111 PolarHBondContact O-N 2.81Å; T92-V114 HydrophobicContact CG2-CG2 3.75Å
93C93.6Very high84.6Confident1 Ų162 Ų621%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-105.3152.1178.8-70.50000112.2G72 R73 F78 H88 N89 D90 L109G72-C93 PolarHBondContact N-O 3.46Å; R73-C93 HydrophobicContact CG-CB 4Å; F78-C93 HydrophobicContact CE1-CB 4.12Å; F78-C93 HydrophobicContact CZ-CB 3.81Å; H88-C93 VanDerWaalsContact CB-SG 3.59Å; N89-C93 PolarHBondContact O-N 3.13Å; D90-C93 PolarHBondContact O-N 3.41Å; C93-L109 CarbonylContact C-O 3.46Å; C93-L109 VanDerWaalsContact CA-O 3.24Å; C93-L109 WeakPolarHBondContact CA-O 3.4Å
94F95.2Very high86.1Confident0 Ų056.5 Ų56.50%030%0.3CS..EExtended strand (participates in β ladder)trans-154.3161.1167.565.1-81.8000110.7M27 V69 R70 I96 L109 A117 W120 L121 L124M27-F94 HydrophobicContact CE-CE1 4.03Å; M27-F94 HydrophobicContact CE-CZ 4.08Å; M27-F94 HydrophobicContact SD-CE1 3.95Å; M27-F94 HydrophobicContact SD-CZ 3.96Å; V69-F94 HydrophobicContact CG1-CD2 3.76Å; V69-F94 HydrophobicContact CG1-CE2 4.31Å; R70-F94 CarbonylContact O-C 3.58Å; R70-F94 WeakPolarHBondContact O-CA 3.02Å; R70-F94 VanDerWaalsContact O-CB 3.26Å; R70-F94 WeakPolarHBondContact O-CB 3.36Å; F94-I96 HydrophobicContact CD2-CG1 4.33Å; F94-I96 HydrophobicContact CE2-CD1 4.25Å; F94-I96 HydrophobicContact CE2-CG1 4.09Å; F94-L109 HydrophobicContact CD1-CB 4.36Å; F94-L109 HydrophobicContact CD2-CD1 4.48Å; F94-L109 HydrophobicContact CE1-CB 3.97Å; F94-L109 HydrophobicContact CE1-CD1 4.39Å; F94-L109 HydrophobicContact CE2-CB 4.27Å; F94-L109 HydrophobicContact CE2-CD1 3.58Å; F94-L109 HydrophobicContact CE2-CG 4.46Å; F94-L109 HydrophobicContact CZ-CB 3.93Å; F94-L109 HydrophobicContact CZ-CD1 3.51Å; F94-L109 HydrophobicContact CZ-CG 4.35Å; F94-L109 PolarHBondContact N-O 3.38Å; F94-L109 PolarHBondContact O-N 3.22Å; F94-A117 HydrophobicContact CD1-CB 4.33Å; F94-W120 HydrophobicContact CE1-CB 4.13Å; F94-W120 HydrophobicContact CZ-CB 3.81Å; F94-W120 HydrophobicContact CZ-CG 4.4Å; F94-L121 HydrophobicContact CB-CD1 4.44Å; F94-L121 HydrophobicContact CB-CD2 3.92Å; F94-L121 HydrophobicContact CB-CG 4.25Å; F94-L121 HydrophobicContact CD2-CD2 4.36Å; F94-L121 HydrophobicContact CG-CD2 4.28Å; F94-L121 HydrophobicContact CG-CG 4.33Å; F94-L124 HydrophobicContact CE2-CD1 3.89Å
95T94.9Very high87.9Confident0 Ų057.6 Ų57.60%029%0.289CS..EExtended strand (participates in β ladder)trans-123.3132.4178.1-54.80000110.4V69 R70 F78 F97 T106V69-T95 CarbonylContact C-O 3.6Å; V69-T95 WeakPolarHBondContact CA-O 3.25Å; R70-T95 PolarHBondContact N-O 2.89Å; R70-T95 PolarHBondContact O-N 2.78Å; F78-T95 WeakPolarHBondContact CE2-OG1 3.41Å; T95-F97 HydrophobicContact CG2-CD2 3.92Å; T95-F97 HydrophobicContact CG2-CE1 4.48Å; T95-F97 HydrophobicContact CG2-CE2 3.52Å; T95-F97 HydrophobicContact CG2-CZ 3.83Å; T95-T106 HydrophobicContact CG2-CG2 3.96Å
96I95.6Very high89.3Confident0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-94.8119.3168.1-55.2170.3000108.1L61 I66 V69 F94 T106 L107 L109 L124L61-I96 HydrophobicContact CD1-CG2 4.05Å; I66-I96 HydrophobicContact CD1-CG2 4.03Å; I66-I96 HydrophobicContact CG1-CG2 3.89Å; I66-I96 HydrophobicContact CG2-CG2 4.14Å; V69-I96 HydrophobicContact CG1-CG1 4.08Å; V69-I96 HydrophobicContact CG2-CG1 4.45Å; F94-I96 HydrophobicContact CD2-CG1 4.33Å; F94-I96 HydrophobicContact CE2-CD1 4.25Å; F94-I96 HydrophobicContact CE2-CG1 4.09Å; I96-T106 CarbonylContact O-C 3.58Å; I96-T106 WeakPolarHBondContact O-CA 3.32Å; I96-L107 HydrophobicContact CB-CB 4.26Å; I96-L107 HydrophobicContact CD1-CD2 4.25Å; I96-L107 PolarHBondContact N-O 3.26Å; I96-L107 PolarHBondContact O-N 3.39Å; I96-L109 HydrophobicContact CD1-CD1 3.94Å; I96-L124 HydrophobicContact CD1-CD1 3.62Å; I96-L124 HydrophobicContact CG1-CD1 4.03Å
97F94.6Very high90.5Very high5 Ų548.5 Ų48.52%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-97.5122.2172.1-65.6-100.6000109R67 E68 R70 T95 L104 N105 T106R67-F97 PolarHBondContact N-O 3.45Å; E68-F97 HydrophobicContact CB-CB 4.19Å; E68-F97 HydrophobicContact CB-CD2 4.5Å; E68-F97 PolarHBondContact N-O 3.41Å; E68-F97 PolarHBondContact O-N 2.94Å; R70-F97 HydrophobicContact CB-CE2 4.17Å; R70-F97 HydrophobicContact CG-CD2 4.17Å; R70-F97 HydrophobicContact CG-CE2 3.82Å; R70-F97 VanDerWaalsContact CZ-CE2 3.42Å; T95-F97 HydrophobicContact CG2-CD2 3.92Å; T95-F97 HydrophobicContact CG2-CE1 4.48Å; T95-F97 HydrophobicContact CG2-CE2 3.52Å; T95-F97 HydrophobicContact CG2-CZ 3.83Å; F97-L104 HydrophobicContact CB-CD1 4.01Å; F97-N105 WeakPolarHBondContact CA-O 3.39Å; F97-T106 HydrophobicContact CD1-CG2 3.45Å; F97-T106 VanDerWaalsContact CD1-CG2 3.45Å; F97-T106 HydrophobicContact CE1-CG2 3.4Å; F97-T106 VanDerWaalsContact CE1-CG2 3.4Å; F97-T106 HydrophobicContact CG-CG2 4.19Å; F97-T106 HydrophobicContact CZ-CG2 4.1Å
98Y94.6Very high91.6Very high39 Ų3939.2 Ų39.215%0.15321%0.212CC..EExtended strand (participates in β ladder)trans-145.1161.6-171.672.6-78.3000113L61 E65 N105 L107L61-Y98 HydrophobicContact CD1-CD1 3.29Å; L61-Y98 HydrophobicContact CD1-CD2 3.61Å; L61-Y98 HydrophobicContact CD1-CE1 3.54Å; L61-Y98 HydrophobicContact CD1-CE2 3.83Å; L61-Y98 HydrophobicContact CD1-CG 3.32Å; L61-Y98 HydrophobicContact CG-CD1 4.38Å; L61-Y98 HydrophobicContact CG-CD2 3.84Å; L61-Y98 HydrophobicContact CG-CE2 4.15Å; L61-Y98 HydrophobicContact CG-CG 3.96Å; E65-Y98 CarbonylContact O-C 3.57Å; E65-Y98 WeakPolarHBondContact O-CA 3.17Å; E65-Y98 WeakPolarHBondContact O-CB 3.49Å; Y98-N105 HydrophobicContact CD1-CB 4.01Å; Y98-N105 WeakPolarHBondContact CD1-O 3.37Å; Y98-N105 HydrophobicContact CD2-CB 4.31Å; Y98-N105 HydrophobicContact CE1-CB 3.6Å; Y98-N105 HydrophobicContact CE2-CB 3.94Å; Y98-N105 HydrophobicContact CG-CB 4.35Å; Y98-N105 PolarHBondContact N-O 2.86Å; Y98-N105 PolarHBondContact O-N 3.3Å; Y98-L107 HydrophobicContact CE1-CB 4Å
99G92.8Very high92.3Very high4 Ų438.1 Ų38.14%0.04121%0.206CC..  trans122.9-175.7175.100000113.1E65 R67E65-G99 PolarHBondContact O-N 3.4Å; R67-G99 PolarHBondContact NE-O 2.99Å; R67-G99 PolarHBondContact NH2-O 3.47Å
100S90.6Very high92.8Very high40 Ų4032.6 Ų32.628%0.2818%0.177SC..SBendtrans-119.53.3-171.462.40000114.1N1158S100-N1158 WeakPolarHBondContact CB-ND2 3.37Å; S100-N1158 PolarHBondContact O-ND2 2.89Å
101Q92.6Very high93.3Very high97 Ų9728.1 Ų28.145%0.45315%0.153SC..SBendtrans-96.5175.7178.9-55.5-60.4-5000111.3R344Q101-R344 PolarHBondContact O-NH2 3.01Å; Q101-R344 VanDerWaalsContact O-NH2 3.1Å
102F92.6Very high93.5Very high8 Ų826.6 Ų26.64%0.03515%0.145CC..SBendtrans-65.4-51.4171.1-176.3-105.3000111.2L104 A341 R344 W348 Q1008 Y1160F102-L104 PolarHBondContact O-N 3.42Å; F102-A341 HydrophobicContact CE1-CB 3.96Å; F102-A341 HydrophobicContact CZ-CB 4.1Å; F102-R344 HydrophobicContact CD2-CG 3.78Å; F102-R344 HydrophobicContact CE2-CB 4.08Å; F102-R344 HydrophobicContact CE2-CG 3.72Å; F102-R344 HydrophobicContact CG-CG 4.49Å; F102-R344 HydrophobicContact CZ-CB 4.32Å; F102-R344 HydrophobicContact CZ-CG 4.39Å; F102-W348 AromaticContact CD2-CH2 3.73Å; F102-W348 HydrophobicContact CD2-CH2 3.73Å; F102-W348 AromaticContact CD2-CZ3 3.75Å; F102-W348 HydrophobicContact CD2-CZ3 3.75Å; F102-W348 HydrophobicContact CE2-CZ3 4.14Å; F102-Q1008 HydrophobicContact CD1-CB 3.59Å; F102-Q1008 HydrophobicContact CE1-CB 3.75Å; F102-Q1008 HydrophobicContact CG-CB 4.09Å; F102-Q1008 HydrophobicContact CZ-CB 4.37Å; F102-Y1160 HydrophobicContact CB-CD1 4.05Å; F102-Y1160 HydrophobicContact CB-CE1 3.64Å
103V93.3Very high93.5Very high82 Ų8227.9 Ų27.950%0.49715%0.154SC..SBendtrans-79.9116.9171.7-175.60000109T329V103-T329 HydrophobicContact CG2-CG2 4.1Å
104L93.3Very high93.5Very high33 Ų3330.4 Ų30.417%0.17317%0.17CC..PPolyproline II helixtrans-83.9148.8-177.5-61.3179.1000111.7R67 F97 F102R67-L104 HydrophobicContact CB-CD1 3.76Å; R67-L104 HydrophobicContact CG-CD1 3.92Å; R67-L104 HydrophobicContact CG-CD2 3.84Å; F97-L104 HydrophobicContact CB-CD1 4.01Å; F102-L104 PolarHBondContact O-N 3.42Å
105N93Very high93.3Very high94 Ų9436.2 Ų36.250%0.50320%0.201SC..EExtended strand (participates in β ladder)trans-75.3154.7166.3-65.7-39000109.6F97 Y98F97-N105 WeakPolarHBondContact CA-O 3.39Å; Y98-N105 HydrophobicContact CD1-CB 4.01Å; Y98-N105 WeakPolarHBondContact CD1-O 3.37Å; Y98-N105 HydrophobicContact CD2-CB 4.31Å; Y98-N105 HydrophobicContact CE1-CB 3.6Å; Y98-N105 HydrophobicContact CE2-CB 3.94Å; Y98-N105 HydrophobicContact CG-CB 4.35Å; Y98-N105 PolarHBondContact N-O 2.86Å; Y98-N105 PolarHBondContact O-N 3.3Å
106T93.4Very high93.2Very high45 Ų4538.9 Ų38.928%0.27621%0.213SC..EExtended strand (participates in β ladder)trans-124138.4178.945.70000110.7D77 T95 I96 F97D77-T106 PolarHBondContact OD2-OG1 2.72Å; T95-T106 HydrophobicContact CG2-CG2 3.96Å; I96-T106 CarbonylContact O-C 3.58Å; I96-T106 WeakPolarHBondContact O-CA 3.32Å; F97-T106 HydrophobicContact CD1-CG2 3.45Å; F97-T106 VanDerWaalsContact CD1-CG2 3.45Å; F97-T106 HydrophobicContact CE1-CG2 3.4Å; F97-T106 VanDerWaalsContact CE1-CG2 3.4Å; F97-T106 HydrophobicContact CG-CG2 4.19Å; F97-T106 HydrophobicContact CZ-CG2 4.1Å
107L93.8Very high93.1Very high2 Ų239 Ų391%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-121.7102.6168.9177.261.4000107.9V29 R31 W50 L61 I96 Y98 L109V29-L107 HydrophobicContact CG1-CD1 3.66Å; R31-L107 VanDerWaalsContact NH2-CD1 3.28Å; W50-L107 HydrophobicContact CE3-CD2 3.8Å; W50-L107 HydrophobicContact CH2-CD2 4.41Å; W50-L107 HydrophobicContact CZ3-CD2 3.6Å; L61-L107 HydrophobicContact CD1-CB 4.45Å; L61-L107 HydrophobicContact CD1-CD2 4.12Å; I96-L107 HydrophobicContact CB-CB 4.26Å; I96-L107 HydrophobicContact CD1-CD2 4.25Å; I96-L107 PolarHBondContact N-O 3.26Å; I96-L107 PolarHBondContact O-N 3.39Å; Y98-L107 HydrophobicContact CE1-CB 4Å; L107-L109 HydrophobicContact CD1-CD2 4.26Å; L107-L109 HydrophobicContact CG-CD1 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.17Å; L107-L109 HydrophobicContact CG-CG 4.21Å
108S94Very high93.1Very high0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-95.7124.2-173.5-58.20000110.5F30 S75 D77F30-S108 PolarHBondContact N-O 3.4Å; S75-S108 WeakPolarHBondContact CB-OG 3.5Å; S75-S108 PolarHBondContact OG-OG 2.88Å; D77-S108 WeakPolarHBondContact CB-OG 3.43Å; D77-S108 WeakPolarHBondContact OD2-CB 3.35Å; D77-S108 PolarHBondContact OD2-OG 3.41Å
109L94.2Very high93Very high1 Ų145.4 Ų45.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-128.4140.5-168.2-61.9173.4000111.3M27 T28 V29 V39 C93 F94 I96 L107M27-L109 HydrophobicContact SD-CB 4.09Å; M27-L109 HydrophobicContact SD-CD1 4.17Å; T28-L109 CarbonylContact O-C 3.57Å; T28-L109 WeakPolarHBondContact O-CA 3.49Å; V29-L109 HydrophobicContact CB-CD2 4.24Å; V29-L109 HydrophobicContact CG1-CD2 4.13Å; V29-L109 HydrophobicContact CG2-CD2 3.7Å; V39-L109 HydrophobicContact CG2-CD2 4.24Å; C93-L109 CarbonylContact C-O 3.46Å; C93-L109 VanDerWaalsContact CA-O 3.24Å; C93-L109 WeakPolarHBondContact CA-O 3.4Å; F94-L109 HydrophobicContact CD1-CB 4.36Å; F94-L109 HydrophobicContact CD2-CD1 4.48Å; F94-L109 HydrophobicContact CE1-CB 3.97Å; F94-L109 HydrophobicContact CE1-CD1 4.39Å; F94-L109 HydrophobicContact CE2-CB 4.27Å; F94-L109 HydrophobicContact CE2-CD1 3.58Å; F94-L109 HydrophobicContact CE2-CG 4.46Å; F94-L109 HydrophobicContact CZ-CB 3.93Å; F94-L109 HydrophobicContact CZ-CD1 3.51Å; F94-L109 HydrophobicContact CZ-CG 4.35Å; F94-L109 PolarHBondContact N-O 3.38Å; F94-L109 PolarHBondContact O-N 3.22Å; I96-L109 HydrophobicContact CD1-CD1 3.94Å; L107-L109 HydrophobicContact CD1-CD2 4.26Å; L107-L109 HydrophobicContact CG-CD1 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.17Å; L107-L109 HydrophobicContact CG-CG 4.21Å
110G93.9Very high93.1Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-123.1116.5170.600000111.1M27 T28M27-G110 WeakPolarHBondContact CA-O 3.31Å; T28-G110 PolarHBondContact N-O 3.23Å; T28-G110 PolarHBondContact O-N 3.24Å
111A93.9Very high93.3Very high0 Ų045.2 Ų45.20%024%0.239CC..  trans-87158.7176.600000111.6M27 H88 T92 S113 E116 A117M27-A111 HydrophobicContact CE-CB 4.31Å; H88-A111 PolarHBondContact CE1-O 3.19Å; H88-A111 VanDerWaalsContact CE1-O 3.28Å; H88-A111 PolarHBondContact ND1-O 3.5Å; T92-A111 WeakPolarHBondContact CB-O 3.47Å; T92-A111 PolarHBondContact O-N 2.81Å; A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 PolarHBondContact O-N 2.85Å; A111-E116 HydrophobicContact CB-CB 4.05Å; A111-A117 HydrophobicContact CB-CB 4.13Å
112D91.5Very high93.4Very high92 Ų9244.4 Ų44.449%0.49224%0.236SC..SBendtrans-76-18.2-179.2-73.2-9000112R36 H88 E116R36-D112 IonicContact CZ-OD2 2.65Å; R36-D112 IonicContact NH2-OD1 2.8Å; R36-D112 PolarHBondContact NH2-OD1 3.24Å; R36-D112 IonicContact NH2-OD2 3.81Å; R36-D112 PolarHBondContact NH2-OD2 3.03Å; H88-D112 IonicContact CE1-OD1 2.86Å; D112-E116 PolarHBondContact N-OE2 3.49Å
113S92.5Very high93.5Very high42 Ų4244 Ų4429%0.29424%0.235SC..SBendtrans-140.4156.8177.667.30000113.6A111 D115 E116 A117A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 PolarHBondContact O-N 2.85Å; S113-D115 VanDerWaalsContact C-N 3.32Å; S113-E116 PolarHBondContact N-OE2 3.44Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-E116 WeakPolarHBondContact OG-CB 3.4Å; S113-E116 VanDerWaalsContact OG-CD 3.24Å; S113-E116 WeakPolarHBondContact OG-CG 3.21Å; S113-E116 PolarHBondContact OG-N 2.88Å; S113-E116 PolarHBondContact OG-OE2 3.49Å; S113-E116 VanDerWaalsContact OG-OE2 3.04Å; S113-A117 PolarHBondContact O-N 2.79Å
114V93Very high93.6Very high54 Ų5440.1 Ų40.133%0.32721%0.211SC..Hα-helixtrans-65-38.4176.1179.20000111N91 T92 E116 A117 Q118N91-V114 HydrophobicContact CB-CG1 4.4Å; N91-V114 HydrophobicContact CB-CG2 3.97Å; T92-V114 HydrophobicContact CG2-CG2 3.75Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.38Å; V114-A117 PolarHBondContact O-N 2.79Å; V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.5Å; V114-Q118 PolarHBondContact O-N 3.19Å
115D92.2Very high93.6Very high122 Ų12241 Ų4165%0.65222%0.215SC*.Hα-helixtrans-63.8-39179.4-68.3-9.7000111.7S113 K119S113-D115 VanDerWaalsContact C-N 3.32Å; D115-K119 VanDerWaalsContact O-CB 3.27Å; D115-K119 WeakPolarHBondContact O-CB 3.4Å; D115-K119 PolarHBondContact O-N 2.8Å
116E92.5Very high93.6Very high56 Ų5637.9 Ų37.926%0.26220%0.197SC..Hα-helixtrans-65.6-47.3173.6-76167.8160.900111.5A111 D112 S113 V114 Q118 K119 W120A111-E116 HydrophobicContact CB-CB 4.05Å; D112-E116 PolarHBondContact N-OE2 3.49Å; S113-E116 PolarHBondContact N-OE2 3.44Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-E116 WeakPolarHBondContact OG-CB 3.4Å; S113-E116 VanDerWaalsContact OG-CD 3.24Å; S113-E116 WeakPolarHBondContact OG-CG 3.21Å; S113-E116 PolarHBondContact OG-N 2.88Å; S113-E116 PolarHBondContact OG-OE2 3.49Å; S113-E116 VanDerWaalsContact OG-OE2 3.04Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.38Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.24Å; E116-K119 PolarHBondContact O-N 2.78Å; E116-W120 VanDerWaalsContact O-CD1 3.24Å; E116-W120 PolarHBondContact O-N 3.38Å
117A93.3Very high93.6Very high2 Ų236 Ų362%0.01719%0.186CC..Hα-helixtrans-57.3-46.1177.400000111.5F94 A111 S113 V114 W120 L121F94-A117 HydrophobicContact CD1-CB 4.33Å; A111-A117 HydrophobicContact CB-CB 4.13Å; S113-A117 PolarHBondContact O-N 2.79Å; V114-A117 PolarHBondContact O-N 2.79Å; A117-W120 PolarHBondContact O-N 3.2Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 WeakPolarHBondContact O-CD1 3.34Å; A117-L121 VanDerWaalsContact O-CG 3.29Å; A117-L121 WeakPolarHBondContact O-CG 3.49Å; A117-L121 PolarHBondContact O-N 2.74Å
118Q93.6Very high93.5Very high106 Ų10638.1 Ų38.150%0.49519%0.194SC..Hα-helixtrans-63.7-42.1176.7-73-176.4-8.800112.7V114 E116 W120 L121 I122V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.5Å; V114-Q118 PolarHBondContact O-N 3.19Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.24Å; Q118-W120 VanDerWaalsContact C-N 3.32Å; Q118-W120 PolarHBondContact O-N 2.8Å; Q118-L121 PolarHBondContact O-N 3.04Å; Q118-I122 WeakPolarHBondContact O-CG1 3.47Å; Q118-I122 PolarHBondContact O-N 2.69Å
119K93.7Very high93.4Very high74 Ų7443.5 Ų43.532%0.32222%0.219SC..Hα-helixtrans-60.5-42.7176.7-171.9-175.1-61.3-179.70111.4I17 D20 L21 D115 E116 G123I17-K119 HydrophobicContact CG1-CG 4.17Å; I17-K119 HydrophobicContact CG2-CG 4.11Å; D20-K119 HydrophobicContact CB-CD 3.94Å; D20-K119 WeakPolarHBondContact OD2-CD 3.47Å; D20-K119 WeakPolarHBondContact OD2-CE 3.33Å; D20-K119 IonicContact OD2-NZ 2.7Å; D20-K119 PolarHBondContact OD2-NZ 3.15Å; L21-K119 HydrophobicContact CD1-CG 4.41Å; D115-K119 VanDerWaalsContact O-CB 3.27Å; D115-K119 WeakPolarHBondContact O-CB 3.4Å; D115-K119 PolarHBondContact O-N 2.8Å; E116-K119 PolarHBondContact O-N 2.78Å; K119-G123 PolarHBondContact O-N 3.46Å
120W94.8Very high93.3Very high6 Ų646.6 Ų46.62%0.02323%0.233CC..Hα-helixtrans-68.6-41.9177.5-8678.9000112.8L21 V25 M27 V39 V41 V48 F94 E116 A117 Q118 I122 G123 L124L21-W120 HydrophobicContact CD1-CD2 4.33Å; L21-W120 HydrophobicContact CD1-CG 4.39Å; L21-W120 HydrophobicContact CD2-CE3 4.45Å; L21-W120 HydrophobicContact CG-CD2 4.08Å; L21-W120 HydrophobicContact CG-CE3 4.2Å; L21-W120 HydrophobicContact CG-CH2 4.37Å; L21-W120 HydrophobicContact CG-CZ2 4.26Å; L21-W120 HydrophobicContact CG-CZ3 4.34Å; V25-W120 HydrophobicContact CG1-CZ2 3.79Å; M27-W120 HydrophobicContact CE-CB 4.14Å; M27-W120 HydrophobicContact CE-CD2 3.43Å; M27-W120 VanDerWaalsContact CE-CD2 3.43Å; M27-W120 VanDerWaalsContact CE-CE2 3.47Å; M27-W120 HydrophobicContact CE-CE3 4.19Å; M27-W120 HydrophobicContact CE-CG 3.36Å; M27-W120 HydrophobicContact CE-CZ2 4.24Å; V39-W120 HydrophobicContact CB-CH2 4.04Å; V39-W120 HydrophobicContact CB-CZ3 4.49Å; V39-W120 HydrophobicContact CG1-CH2 3.63Å; V39-W120 HydrophobicContact CG1-CZ3 3.69Å; V39-W120 VanDerWaalsContact O-CH2 3.29Å; V39-W120 WeakPolarHBondContact O-CH2 3.34Å; V39-W120 VanDerWaalsContact O-CZ2 3.28Å; V39-W120 WeakPolarHBondContact O-CZ2 3.29Å; V41-W120 HydrophobicContact CG2-CH2 4.46Å; V41-W120 HydrophobicContact CG2-CZ3 4.27Å; V48-W120 HydrophobicContact CG1-CZ3 4.46Å; F94-W120 HydrophobicContact CE1-CB 4.13Å; F94-W120 HydrophobicContact CZ-CB 3.81Å; F94-W120 HydrophobicContact CZ-CG 4.4Å; E116-W120 VanDerWaalsContact O-CD1 3.24Å; E116-W120 PolarHBondContact O-N 3.38Å; A117-W120 PolarHBondContact O-N 3.2Å; Q118-W120 VanDerWaalsContact C-N 3.32Å; Q118-W120 PolarHBondContact O-N 2.8Å; W120-I122 PolarHBondContact O-N 3.14Å; W120-G123 PolarHBondContact O-N 3.23Å; W120-L124 HydrophobicContact CE3-CD1 4.16Å; W120-L124 HydrophobicContact CE3-CD2 4.38Å; W120-L124 HydrophobicContact CE3-CG 4.22Å; W120-L124 HydrophobicContact CZ3-CD2 4.47Å; W120-L124 VanDerWaalsContact O-CB 3.31Å; W120-L124 WeakPolarHBondContact O-CB 2.89Å; W120-L124 VanDerWaalsContact O-CG 3.22Å; W120-L124 WeakPolarHBondContact O-CG 3.16Å; W120-L124 PolarHBondContact O-N 2.62Å
121L94.4Very high93.2Very high33 Ų3346.9 Ų46.917%0.17324%0.235CC..Hα-helixtrans-56.1-49.4174.2-77.6160.5000111.8V69 P71 F94 A117 Q118 E125V69-L121 HydrophobicContact CB-CD2 4.35Å; V69-L121 HydrophobicContact CG1-CD2 3.59Å; P71-L121 HydrophobicContact CB-CD1 3.79Å; P71-L121 HydrophobicContact CB-CD2 4.4Å; F94-L121 HydrophobicContact CB-CD1 4.44Å; F94-L121 HydrophobicContact CB-CD2 3.92Å; F94-L121 HydrophobicContact CB-CG 4.25Å; F94-L121 HydrophobicContact CD2-CD2 4.36Å; F94-L121 HydrophobicContact CG-CD2 4.28Å; F94-L121 HydrophobicContact CG-CG 4.33Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 WeakPolarHBondContact O-CD1 3.34Å; A117-L121 VanDerWaalsContact O-CG 3.29Å; A117-L121 WeakPolarHBondContact O-CG 3.49Å; A117-L121 PolarHBondContact O-N 2.74Å; Q118-L121 PolarHBondContact O-N 3.04Å; L121-E125 WeakPolarHBondContact O-CB 3.41Å; L121-E125 PolarHBondContact O-N 3.08Å
122I93.9Very high92.8Very high80 Ų8051.6 Ų51.641%0.4126%0.26SS..Hα-helixtrans-67.6-45.8178.7-64.9166.8000110.6M9 I17 Q118 W120 E125 L126M9-I122 HydrophobicContact CE-CG2 3.87Å; I17-I122 HydrophobicContact CD1-CG2 4.16Å; Q118-I122 WeakPolarHBondContact O-CG1 3.47Å; Q118-I122 PolarHBondContact O-N 2.69Å; W120-I122 PolarHBondContact O-N 3.14Å; I122-E125 PolarHBondContact O-N 3.15Å; I122-L126 HydrophobicContact CG2-CD1 3.9Å; I122-L126 HydrophobicContact CG2-CG 4.39Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.31Å
123G94.8Very high92.8Very high0 Ų050.9 Ų50.90%027%0.266CS..Hα-helixtrans-62.6-44-177.500000113K119 W120 L126 L127K119-G123 PolarHBondContact O-N 3.46Å; W120-G123 PolarHBondContact O-N 3.23Å; G123-L126 PolarHBondContact O-N 3.02Å; G123-L127 WeakPolarHBondContact O-CB 3.5Å; G123-L127 WeakPolarHBondContact O-CD1 3.3Å; G123-L127 WeakPolarHBondContact O-CG 3Å; G123-L127 PolarHBondContact O-N 3.13Å
124L95.3Very high92.7Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-65.7-40.6178-71.1172.3000112.1V41 V48 L63 V69 F94 I96 W120 L127 R128V41-L124 HydrophobicContact CG2-CD2 4.43Å; V48-L124 HydrophobicContact CG2-CD2 3.68Å; L63-L124 HydrophobicContact CD2-CD2 4.18Å; V69-L124 HydrophobicContact CG1-CD1 4.25Å; V69-L124 HydrophobicContact CG2-CB 4.19Å; V69-L124 HydrophobicContact CG2-CD1 4.44Å; F94-L124 HydrophobicContact CE2-CD1 3.89Å; I96-L124 HydrophobicContact CD1-CD1 3.62Å; I96-L124 HydrophobicContact CG1-CD1 4.03Å; W120-L124 HydrophobicContact CE3-CD1 4.16Å; W120-L124 HydrophobicContact CE3-CD2 4.38Å; W120-L124 HydrophobicContact CE3-CG 4.22Å; W120-L124 HydrophobicContact CZ3-CD2 4.47Å; W120-L124 VanDerWaalsContact O-CB 3.31Å; W120-L124 WeakPolarHBondContact O-CB 2.89Å; W120-L124 VanDerWaalsContact O-CG 3.22Å; W120-L124 WeakPolarHBondContact O-CG 3.16Å; W120-L124 PolarHBondContact O-N 2.62Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.36Å; L124-R128 PolarHBondContact O-N 3.21Å
125E93.4Very high92.6Very high53 Ų5348.3 Ų48.325%0.24825%0.25CS..Hα-helixtrans-64.7-44.4177.9-171.755.5-134.600111.5L121 I122 L127 R128 E129L121-E125 WeakPolarHBondContact O-CB 3.41Å; L121-E125 PolarHBondContact O-N 3.08Å; I122-E125 PolarHBondContact O-N 3.15Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-R128 WeakPolarHBondContact O-CB 3.45Å; E125-R128 PolarHBondContact O-N 3.27Å; E125-R128 IonicContact OE1-CZ 2.98Å; E125-R128 IonicContact OE1-NE 2.73Å; E125-R128 PolarHBondContact OE1-NE 3.09Å; E125-R128 IonicContact OE1-NH2 2.66Å; E125-R128 PolarHBondContact OE1-NH2 2.69Å; E125-R128 IonicContact OE2-CZ 3.27Å; E125-R128 IonicContact OE2-NE 2.78Å; E125-R128 PolarHBondContact OE2-NE 3.04Å; E125-R128 IonicContact OE2-NH2 2.93Å; E125-R128 PolarHBondContact OE2-NH2 3.45Å; E125-E129 PolarHBondContact O-N 3.24Å
126L93.3Very high92.6Very high27 Ų2743 Ų4314%0.14122%0.223CC..Hα-helixtrans-58.7-48.2174.2-71.7169.1000112.2M9 K14 I122 G123 R128 E129 E130M9-L126 HydrophobicContact CE-CD1 3.58Å; K14-L126 HydrophobicContact CG-CD1 4.25Å; I122-L126 HydrophobicContact CG2-CD1 3.9Å; I122-L126 HydrophobicContact CG2-CG 4.39Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.31Å; G123-L126 PolarHBondContact O-N 3.02Å; L126-R128 VanDerWaalsContact C-N 3.28Å; L126-R128 PolarHBondContact O-N 3.44Å; L126-E129 PolarHBondContact O-N 3.28Å; L126-E130 WeakPolarHBondContact O-CB 3.27Å; L126-E130 WeakPolarHBondContact O-CG 3.48Å; L126-E130 PolarHBondContact O-N 3.1Å
127L93.9Very high92.5Very high5 Ų541.1 Ų41.13%0.02622%0.215CC..Hα-helixtrans-66.6-32.6-178.8-72.7169.8000112.2K18 L21 V41 M43 L63 G123 L124 E125 T131K18-L127 HydrophobicContact CD-CD2 4.31Å; K18-L127 HydrophobicContact CG-CD2 4.12Å; L21-L127 HydrophobicContact CD2-CD1 3.75Å; V41-L127 HydrophobicContact CB-CD1 4.4Å; V41-L127 HydrophobicContact CG1-CD1 3.91Å; V41-L127 HydrophobicContact CG2-CD1 4.06Å; M43-L127 HydrophobicContact CE-CD2 3.8Å; M43-L127 HydrophobicContact SD-CD2 3.84Å; L63-L127 HydrophobicContact CD1-CB 3.87Å; L63-L127 HydrophobicContact CD1-CD1 4.5Å; L63-L127 HydrophobicContact CD2-CB 4.37Å; G123-L127 WeakPolarHBondContact O-CB 3.5Å; G123-L127 WeakPolarHBondContact O-CD1 3.3Å; G123-L127 WeakPolarHBondContact O-CG 3Å; G123-L127 PolarHBondContact O-N 3.13Å; L124-L127 PolarHBondContact O-N 3.26Å; E125-L127 PolarHBondContact O-N 3.28Å; L127-T131 VanDerWaalsContact O-CB 3.28Å; L127-T131 WeakPolarHBondContact O-CB 3.4Å; L127-T131 PolarHBondContact O-N 3.17Å; L127-T131 PolarHBondContact O-OG1 3.11Å
128R92.4Very high92.3Very high48 Ų4843.4 Ų43.418%0.18123%0.229CC..Hα-helixtrans-64.2-52.3173-176.7-173.779.2149.73.9111.1I66 R67 L124 E125 L126 E130 T131 L132I66-R128 HydrophobicContact CB-CG 4.43Å; I66-R128 WeakPolarHBondContact O-CD 3.41Å; R67-R128 PolarHBondContact O-NH1 3.04Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.36Å; L124-R128 PolarHBondContact O-N 3.21Å; E125-R128 WeakPolarHBondContact O-CB 3.45Å; E125-R128 PolarHBondContact O-N 3.27Å; E125-R128 IonicContact OE1-CZ 2.98Å; E125-R128 IonicContact OE1-NE 2.73Å; E125-R128 PolarHBondContact OE1-NE 3.09Å; E125-R128 IonicContact OE1-NH2 2.66Å; E125-R128 PolarHBondContact OE1-NH2 2.69Å; E125-R128 IonicContact OE2-CZ 3.27Å; E125-R128 IonicContact OE2-NE 2.78Å; E125-R128 PolarHBondContact OE2-NE 3.04Å; E125-R128 IonicContact OE2-NH2 2.93Å; E125-R128 PolarHBondContact OE2-NH2 3.45Å; L126-R128 VanDerWaalsContact C-N 3.28Å; L126-R128 PolarHBondContact O-N 3.44Å; R128-E130 VanDerWaalsContact C-N 3.32Å; R128-E130 PolarHBondContact O-N 2.72Å; R128-T131 PolarHBondContact O-N 3.44Å; R128-L132 HydrophobicContact CG-CD1 4.4Å; R128-L132 WeakPolarHBondContact O-CG 3.34Å; R128-L132 PolarHBondContact O-N 3.45Å
129E90.9Very high92.2Very high112 Ų11240.5 Ų40.552%0.52322%0.216SC..Hα-helixtrans-58.1-44.8177.7-71-176.8162.300111.3E125 L126 T131 L132 A133E125-E129 PolarHBondContact O-N 3.24Å; L126-E129 PolarHBondContact O-N 3.28Å; E129-T131 PolarHBondContact O-N 2.92Å; E129-L132 PolarHBondContact O-N 2.94Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 2.76Å
130E91.7Very high92.1Very high66 Ų6637.8 Ų37.831%0.30821%0.205SC..Hα-helixtrans-65.3-25.8175.9-74.7177.7-16700113.7K18 R46 L126 R128 A134K18-E130 VanDerWaalsContact CE-OE1 3.28Å; K18-E130 WeakPolarHBondContact CE-OE1 3.41Å; K18-E130 WeakPolarHBondContact CE-OE2 3.23Å; K18-E130 IonicContact NZ-OE1 3.23Å; K18-E130 PolarHBondContact NZ-OE1 3.27Å; K18-E130 IonicContact NZ-OE2 2.81Å; K18-E130 PolarHBondContact NZ-OE2 2.98Å; R46-E130 PolarHBondContact NH1-O 3.27Å; R46-E130 VanDerWaalsContact NH1-O 3.1Å; L126-E130 WeakPolarHBondContact O-CB 3.27Å; L126-E130 WeakPolarHBondContact O-CG 3.48Å; L126-E130 PolarHBondContact O-N 3.1Å; R128-E130 VanDerWaalsContact C-N 3.32Å; R128-E130 PolarHBondContact O-N 2.72Å; E130-A134 WeakPolarHBondContact O-CB 3.28Å; E130-A134 PolarHBondContact O-N 3.46Å; E130-A134 VanDerWaalsContact O-N 3.13Å
131T91.4Very high91.9Very high6 Ų639.9 Ų39.94%0.03722%0.215CC..Hα-helixtrans-79-38.9176.2-61.50000111.6R46 L63 L127 R128 E129 A134R46-T131 PolarHBondContact NH1-OG1 3.39Å; L63-T131 HydrophobicContact CB-CG2 4.35Å; L127-T131 VanDerWaalsContact O-CB 3.28Å; L127-T131 WeakPolarHBondContact O-CB 3.4Å; L127-T131 PolarHBondContact O-N 3.17Å; L127-T131 PolarHBondContact O-OG1 3.11Å; R128-T131 PolarHBondContact O-N 3.44Å; E129-T131 PolarHBondContact O-N 2.92Å; T131-A134 WeakPolarHBondContact O-CB 3.31Å; T131-A134 PolarHBondContact O-N 3.39Å
132L87.5Confident91.7Very high99 Ų9938.5 Ų38.552%0.51821%0.208SC..Hα-helixtrans-67.7-37.8174-64.8173.8000111.9R128 E129 K294R128-L132 HydrophobicContact CG-CD1 4.4Å; R128-L132 WeakPolarHBondContact O-CG 3.34Å; R128-L132 PolarHBondContact O-N 3.45Å; E129-L132 PolarHBondContact O-N 2.94Å; L132-K294 PolarHBondContact O-NZ 2.89Å
133A89.8Confident91.7Very high77 Ų7736 Ų3664%0.63619%0.193SC*.SBendtrans-80.9-11.9178.100000114.3E129E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 2.76Å
134A91.2Very high91.5Very high4 Ų436 Ų363%0.03319%0.193CC..  trans-58.2134.6-174.900000112.4E130 T131 L139 K294E130-A134 WeakPolarHBondContact O-CB 3.28Å; E130-A134 PolarHBondContact O-N 3.46Å; E130-A134 VanDerWaalsContact O-N 3.13Å; T131-A134 WeakPolarHBondContact O-CB 3.31Å; T131-A134 PolarHBondContact O-N 3.39Å; A134-L139 HydrophobicContact CB-CD2 3.87Å; A134-L139 HydrophobicContact CB-CG 4.15Å; A134-K294 WeakPolarHBondContact O-CE 3.43Å; A134-K294 PolarHBondContact O-NZ 3.28Å
135P90.9Very high91.3Very high38 Ų3838.1 Ų38.125%0.24720%0.202CC..  trans-60.1151.7174.6-25.134.7000112.7P137 V138 L139 I268 E295P135-P137 VanDerWaalsContact C-CD 3.49Å; P135-V138 PolarHBondContact O-N 2.82Å; P135-V138 VanDerWaalsContact O-N 3.12Å; P135-L139 PolarHBondContact O-N 3.36Å; P135-I268 HydrophobicContact CB-CG2 3.8Å; P135-I268 HydrophobicContact CG-CG2 3.65Å; P135-E295 WeakPolarHBondContact CA-OE1 3.38Å
136T91.7Very high91.2Very high12 Ų1237 Ų377%0.07420%0.196CC..Hα-helixtrans-52.3-42.7-178.5-63.50000114.4V138 L139 I140 F269 K294 E295T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.71Å; T136-L139 WeakPolarHBondContact O-CB 3.36Å; T136-L139 PolarHBondContact O-N 2.87Å; T136-L139 VanDerWaalsContact O-N 3.1Å; T136-I140 HydrophobicContact CG2-CD1 3.92Å; T136-I140 HydrophobicContact CG2-CG1 4.27Å; T136-I140 WeakPolarHBondContact O-CG1 3.12Å; T136-I140 PolarHBondContact O-N 2.79Å; T136-F269 HydrophobicContact CG2-CZ 4.49Å; T136-K294 PolarHBondContact OG1-N 2.83Å; T136-E295 WeakPolarHBondContact CB-OE2 3.44Å; T136-E295 PolarHBondContact N-OE1 3.4Å; T136-E295 PolarHBondContact OG1-OE2 2.81Å
137P89.8Confident91Very high16 Ų1637.5 Ų37.510%0.10420%0.197CC..Hα-helixtrans-58.9-40.1178.5-26.636.3000113.6P135 L139 I140 E141 F269P135-P137 VanDerWaalsContact C-CD 3.49Å; P137-L139 VanDerWaalsContact C-N 3.3Å; P137-L139 PolarHBondContact O-N 2.94Å; P137-I140 WeakPolarHBondContact O-CB 3.17Å; P137-I140 PolarHBondContact O-N 3.29Å; P137-E141 PolarHBondContact O-N 3.48Å; P137-F269 HydrophobicContact CG-CD1 3.98Å; P137-F269 HydrophobicContact CG-CD2 3.82Å; P137-F269 HydrophobicContact CG-CE1 4.02Å; P137-F269 HydrophobicContact CG-CE2 3.88Å; P137-F269 HydrophobicContact CG-CG 3.87Å; P137-F269 HydrophobicContact CG-CZ 3.96Å
138V89.6Confident90.7Very high50 Ų5037.3 Ų37.330%0.30320%0.196SC..Hα-helixtrans-65.8-35.8177.3-179.50000111.1P135 T136 S142P135-V138 PolarHBondContact O-N 2.82Å; P135-V138 VanDerWaalsContact O-N 3.12Å; T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.71Å; V138-S142 VanDerWaalsContact O-CB 3.31Å; V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.19Å
139L91.3Very high90.4Very high44 Ų4438.1 Ų38.123%0.2320%0.2CC..Hα-helixtrans-68.9-38.5174.8-63.3176.7000111.8A134 P135 T136 P137 W143 L1166A134-L139 HydrophobicContact CB-CD2 3.87Å; A134-L139 HydrophobicContact CB-CG 4.15Å; P135-L139 PolarHBondContact O-N 3.36Å; T136-L139 WeakPolarHBondContact O-CB 3.36Å; T136-L139 PolarHBondContact O-N 2.87Å; T136-L139 VanDerWaalsContact O-N 3.1Å; P137-L139 VanDerWaalsContact C-N 3.3Å; P137-L139 PolarHBondContact O-N 2.94Å; L139-W143 VanDerWaalsContact O-CB 3.29Å; L139-W143 WeakPolarHBondContact O-CB 3.27Å; L139-W143 PolarHBondContact O-N 2.78Å; L139-L1166 HydrophobicContact CB-CD2 3.87Å
140I91.6Very high90.1Very high18 Ų1836.4 Ų36.49%0.09220%0.201CC..Hα-helixtrans-62.4-48.5174.2-68169.9000110.3T136 P137 S142 W143 L144 Y204 L1166T136-I140 HydrophobicContact CG2-CD1 3.92Å; T136-I140 HydrophobicContact CG2-CG1 4.27Å; T136-I140 WeakPolarHBondContact O-CG1 3.12Å; T136-I140 PolarHBondContact O-N 2.79Å; P137-I140 WeakPolarHBondContact O-CB 3.17Å; P137-I140 PolarHBondContact O-N 3.29Å; I140-S142 PolarHBondContact O-N 3.31Å; I140-W143 PolarHBondContact O-N 3.07Å; I140-L144 HydrophobicContact CG2-CD1 3.88Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 WeakPolarHBondContact O-CG 3.4Å; I140-L144 PolarHBondContact O-N 2.74Å; I140-Y204 HydrophobicContact CG2-CE1 3.71Å; I140-L1166 HydrophobicContact CG1-CD1 4.04Å; I140-L1166 HydrophobicContact CG1-CD2 3.82Å
141E90.4Very high89.5Confident50 Ų5034.2 Ų34.223%0.23419%0.191CC..Hα-helixtrans-59.2-48.6178.2-167.3-163.8158.500111.1P137 W143 L144 R145 F197P137-E141 PolarHBondContact O-N 3.48Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 PolarHBondContact O-N 3.04Å; E141-L144 PolarHBondContact O-N 2.81Å; E141-R145 WeakPolarHBondContact O-CG 3.26Å; E141-R145 PolarHBondContact O-N 2.83Å; E141-R145 IonicContact OE1-CZ 3.47Å; E141-R145 VanDerWaalsContact OE1-CZ 3.28Å; E141-R145 IonicContact OE1-NE 3.87Å; E141-R145 PolarHBondContact OE1-NE 3.47Å; E141-R145 IonicContact OE1-NH2 3.11Å; E141-R145 PolarHBondContact OE1-NH2 2.88Å; E141-F197 HydrophobicContact CG-CE1 3.93Å; E141-F197 HydrophobicContact CG-CZ 3.64Å
142S91.6Very high88.6Confident4 Ų434.4 Ų34.43%0.02819%0.192CC..Hα-helixtrans-58.3-44.4177.2-176.70000111.9E44 T45 V138 I140 R145 K146E44-S142 PolarHBondContact O-OG 3.09Å; T45-S142 VanDerWaalsContact C-OG 3.28Å; T45-S142 PolarHBondContact O-OG 3.31Å; T45-S142 VanDerWaalsContact O-OG 3.09Å; V138-S142 VanDerWaalsContact O-CB 3.31Å; V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.19Å; I140-S142 PolarHBondContact O-N 3.31Å; S142-R145 PolarHBondContact O-N 3.1Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 2.78Å; S142-K146 WeakPolarHBondContact OG-CE 3.21Å
143W92.9Very high87.2Confident26 Ų2638.6 Ų38.610%0.09821%0.209CC..Hα-helixtrans-61.6-45.2175.5-178.791.6000111.7L139 I140 E141 R145 K146 Q147 L171 Y204 H1063 L1098 L1166L139-W143 VanDerWaalsContact O-CB 3.29Å; L139-W143 WeakPolarHBondContact O-CB 3.27Å; L139-W143 PolarHBondContact O-N 2.78Å; I140-W143 PolarHBondContact O-N 3.07Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 PolarHBondContact O-N 3.04Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 3.28Å; W143-K146 WeakPolarHBondContact O-CB 3.37Å; W143-K146 PolarHBondContact O-N 2.79Å; W143-K146 VanDerWaalsContact O-N 3.15Å; W143-Q147 HydrophobicContact CD2-CG 3.81Å; W143-Q147 HydrophobicContact CE3-CG 3.91Å; W143-Q147 HydrophobicContact CH2-CG 3.85Å; W143-Q147 HydrophobicContact CZ2-CG 3.72Å; W143-Q147 HydrophobicContact CZ3-CG 3.94Å; W143-Q147 WeakPolarHBondContact O-CG 3.24Å; W143-Q147 PolarHBondContact O-N 3.13Å; W143-L171 HydrophobicContact CH2-CD1 4.18Å; W143-L171 HydrophobicContact CH2-CD2 3.66Å; W143-L171 HydrophobicContact CH2-CG 4.32Å; W143-L171 HydrophobicContact CZ2-CD2 3.82Å; W143-Y204 HydrophobicContact CZ3-CD2 4.24Å; W143-Y204 AromaticContact CZ3-CE2 3.91Å; W143-Y204 HydrophobicContact CZ3-CE2 3.91Å; W143-H1063 AromaticContact CH2-CD2 3.7Å; W143-H1063 AromaticContact CH2-NE2 3.91Å; W143-H1063 AromaticContact CZ2-CD2 3.67Å; W143-H1063 AromaticContact CZ3-NE2 3.85Å; W143-L1098 HydrophobicContact CH2-CD1 4.44Å; W143-L1166 HydrophobicContact CB-CD1 3.54Å; W143-L1166 HydrophobicContact CD2-CD1 3.94Å; W143-L1166 HydrophobicContact CE3-CD1 4.35Å; W143-L1166 HydrophobicContact CG-CD1 3.57Å
144L91.8Very high85.7Confident0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-61.9-39.2178-72.2168.9000112.5I140 E141 Q147 M148 F197 F200 H201 Y204I140-L144 HydrophobicContact CG2-CD1 3.88Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 WeakPolarHBondContact O-CG 3.4Å; I140-L144 PolarHBondContact O-N 2.74Å; E141-L144 PolarHBondContact O-N 2.81Å; L144-Q147 PolarHBondContact O-N 3.26Å; L144-M148 WeakPolarHBondContact O-CB 3.28Å; L144-M148 PolarHBondContact O-N 3.42Å; L144-F197 HydrophobicContact CB-CE2 4.01Å; L144-F197 HydrophobicContact CB-CZ 4.39Å; L144-F200 HydrophobicContact CB-CE1 4.14Å; L144-F200 HydrophobicContact CD2-CD1 4.4Å; L144-F200 HydrophobicContact CD2-CE1 3.67Å; L144-F200 HydrophobicContact CD2-CZ 4.06Å; L144-H201 WeakPolarHBondContact CD1-CD2 3.33Å; L144-Y204 HydrophobicContact CD1-CD1 3.71Å; L144-Y204 HydrophobicContact CD1-CE1 4.16Å; L144-Y204 HydrophobicContact CD1-CG 4.03Å; L144-Y204 HydrophobicContact CD2-CD1 4.11Å; L144-Y204 HydrophobicContact CD2-CD2 3.7Å; L144-Y204 HydrophobicContact CD2-CE2 4.27Å; L144-Y204 HydrophobicContact CD2-CG 3.6Å; L144-Y204 HydrophobicContact CG-CD1 4.45Å; L144-Y204 HydrophobicContact CG-CG 4.41Å
145R90.3Very high84.4Confident46 Ų4643.4 Ų43.417%0.17422%0.221CC..Hα-helixtrans-62.4-45.3173.6-68.5-179.9-176.9-82.4-7.8111.2E44 T45 E141 S142 W143 Q147 M148 Y149 F197E44-R145 IonicContact OE2-CZ 3.42Å; E44-R145 IonicContact OE2-NE 2.66Å; E44-R145 IonicContact OE2-NH1 2.62Å; E44-R145 PolarHBondContact OE2-NH1 2.66Å; T45-R145 HydrophobicContact CG2-CB 3.81Å; E141-R145 WeakPolarHBondContact O-CG 3.26Å; E141-R145 PolarHBondContact O-N 2.83Å; E141-R145 IonicContact OE1-CZ 3.47Å; E141-R145 VanDerWaalsContact OE1-CZ 3.28Å; E141-R145 IonicContact OE1-NE 3.87Å; E141-R145 PolarHBondContact OE1-NE 3.47Å; E141-R145 IonicContact OE1-NH2 3.11Å; E141-R145 PolarHBondContact OE1-NH2 2.88Å; S142-R145 PolarHBondContact O-N 3.1Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 3.28Å; R145-Q147 VanDerWaalsContact C-N 3.32Å; R145-Q147 PolarHBondContact O-N 3.37Å; R145-M148 PolarHBondContact O-N 3.47Å; R145-Y149 HydrophobicContact CB-CE2 4.26Å; R145-Y149 WeakPolarHBondContact O-CD2 3.26Å; R145-Y149 VanDerWaalsContact O-CG 3.31Å; R145-Y149 PolarHBondContact O-N 2.65Å; R145-F197 HydrophobicContact CB-CE2 4.29Å; R145-F197 HydrophobicContact CG-CD2 3.99Å; R145-F197 HydrophobicContact CG-CE1 4.41Å; R145-F197 HydrophobicContact CG-CE2 3.3Å; R145-F197 HydrophobicContact CG-CZ 3.56Å; R145-F197 VanDerWaalsContact NH2-CE1 3.33Å
146K91Very high83Confident29 Ų2948.2 Ų48.213%0.12624%0.238CC..Hα-helixtrans-55.9-45.9173.8-69.9178.3-115.3-1800111.4T45 Q47 D62 S142 W143 Y149 S150 D1165T45-K146 HydrophobicContact CG2-CG 4.01Å; T45-K146 WeakPolarHBondContact O-CE 3.27Å; Q47-K146 HydrophobicContact CG-CD 4.48Å; D62-K146 IonicContact OD1-NZ 2.73Å; D62-K146 IonicContact OD2-NZ 3.14Å; D62-K146 PolarHBondContact OD2-NZ 3.34Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 2.78Å; S142-K146 WeakPolarHBondContact OG-CE 3.21Å; W143-K146 WeakPolarHBondContact O-CB 3.37Å; W143-K146 PolarHBondContact O-N 2.79Å; W143-K146 VanDerWaalsContact O-N 3.15Å; K146-Y149 PolarHBondContact O-N 3.22Å; K146-S150 PolarHBondContact O-N 2.99Å; K146-S150 VanDerWaalsContact O-N 3.08Å; K146-D1165 IonicContact NZ-OD2 3.08Å; K146-D1165 PolarHBondContact NZ-OD2 2.65Å
147Q89.9Confident82.1Confident37 Ų3752.2 Ų52.217%0.17326%0.259CS..Hα-helixtrans-63.5-44178.3-63.4-45.3-41.900112W143 L144 R145 Y149 S150 L167 L171W143-Q147 HydrophobicContact CD2-CG 3.81Å; W143-Q147 HydrophobicContact CE3-CG 3.91Å; W143-Q147 HydrophobicContact CH2-CG 3.85Å; W143-Q147 HydrophobicContact CZ2-CG 3.72Å; W143-Q147 HydrophobicContact CZ3-CG 3.94Å; W143-Q147 WeakPolarHBondContact O-CG 3.24Å; W143-Q147 PolarHBondContact O-N 3.13Å; L144-Q147 PolarHBondContact O-N 3.26Å; R145-Q147 VanDerWaalsContact C-N 3.32Å; R145-Q147 PolarHBondContact O-N 3.37Å; Q147-Y149 PolarHBondContact O-N 2.7Å; Q147-S150 PolarHBondContact O-N 2.87Å; Q147-S150 PolarHBondContact O-OG 2.85Å; Q147-L167 HydrophobicContact CB-CD1 4.24Å; Q147-L167 HydrophobicContact CB-CD2 4.42Å; Q147-L171 HydrophobicContact CB-CD2 4.08Å; Q147-L171 VanDerWaalsContact CD-CD2 3.48Å; Q147-L171 HydrophobicContact CG-CD2 3.51Å
148M87.3Confident81.8Confident1 Ų152.4 Ų52.41%0.00526%0.261CS..Hα-helixtrans-61.2-42.8177.7-171.6171.684.700112.1L144 R145 S150 N152 N157 L159 F197 F200L144-M148 WeakPolarHBondContact O-CB 3.28Å; L144-M148 PolarHBondContact O-N 3.42Å; R145-M148 PolarHBondContact O-N 3.47Å; M148-S150 VanDerWaalsContact C-N 3.35Å; M148-N152 VanDerWaalsContact O-CB 3.3Å; M148-N152 WeakPolarHBondContact O-CB 3.33Å; M148-N152 PolarHBondContact O-N 3.23Å; M148-N157 HydrophobicContact CE-CB 4.42Å; M148-L159 HydrophobicContact CB-CD1 4.43Å; M148-L159 HydrophobicContact CG-CD1 3.88Å; M148-L159 HydrophobicContact CG-CD2 3.84Å; M148-L159 HydrophobicContact CG-CG 3.68Å; M148-L159 HydrophobicContact SD-CG 4.29Å; M148-F197 HydrophobicContact CE-CB 4.19Å; M148-F197 HydrophobicContact CE-CD2 4.29Å; M148-F197 HydrophobicContact SD-CB 4.22Å; M148-F197 HydrophobicContact SD-CD2 4.18Å; M148-F200 HydrophobicContact CB-CD1 4.46Å; M148-F200 HydrophobicContact CB-CE1 4.47Å
149Y85.6Confident81.6Confident65 Ų6550 Ų5026%0.25525%0.246SC..Hα-helixtrans-73.8-24-179.2-61.3-24.5000113.8E44 T45 R145 K146 Q147 V151E44-Y149 HydrophobicContact CG-CE2 4.42Å; E44-Y149 PolarHBondContact OE1-OH 3.29Å; E44-Y149 PolarHBondContact OE2-OH 2.89Å; E44-Y149 VanDerWaalsContact OE2-OH 3.09Å; T45-Y149 HydrophobicContact CG2-CD2 3.61Å; T45-Y149 HydrophobicContact CG2-CE2 3.56Å; R145-Y149 HydrophobicContact CB-CE2 4.26Å; R145-Y149 WeakPolarHBondContact O-CD2 3.26Å; R145-Y149 VanDerWaalsContact O-CG 3.31Å; R145-Y149 PolarHBondContact O-N 2.65Å; K146-Y149 PolarHBondContact O-N 3.22Å; Q147-Y149 PolarHBondContact O-N 2.7Å; Y149-V151 PolarHBondContact O-N 3.03Å
150S84.4Confident81.4Confident77 Ų7749.3 Ų49.354%0.53825%0.245SC..Hα-helixtrans-63.2-30.1178.475.50000113.3K146 Q147 M148K146-S150 PolarHBondContact O-N 2.99Å; K146-S150 VanDerWaalsContact O-N 3.08Å; Q147-S150 PolarHBondContact O-N 2.87Å; Q147-S150 PolarHBondContact O-OG 2.85Å; M148-S150 VanDerWaalsContact C-N 3.35Å
151V80.5Confident81Confident19 Ų1950 Ų5012%0.11525%0.25CS..Hα-helixtrans-109.9-14.4-178.1-65.50000114Y149 Q153 L159 E163 L167 L170Y149-V151 PolarHBondContact O-N 3.03Å; V151-Q153 PolarHBondContact O-N 2.8Å; V151-L159 HydrophobicContact CG2-CD2 3.46Å; V151-L159 VanDerWaalsContact CG2-CD2 3.46Å; V151-E163 HydrophobicContact CB-CB 4.42Å; V151-E163 HydrophobicContact CG2-CB 4.27Å; V151-L167 HydrophobicContact CG1-CB 4.24Å; V151-L167 HydrophobicContact CG1-CD1 4Å; V151-L167 HydrophobicContact CG2-CB 4.31Å; V151-L167 HydrophobicContact CG2-CD1 4.32Å; V151-L167 HydrophobicContact CG2-CD2 4.26Å; V151-L170 HydrophobicContact CG1-CD1 4.19Å
152N71.2Confident80.7Confident10 Ų1056.1 Ų56.15%0.05328%0.276CS..  trans-81.280.7-177.8-164.5-27.5000112.4M148 T154 K155 K156 S158M148-N152 VanDerWaalsContact O-CB 3.3Å; M148-N152 WeakPolarHBondContact O-CB 3.33Å; M148-N152 PolarHBondContact O-N 3.23Å; N152-T154 PolarHBondContact O-N 3.43Å; N152-T154 VanDerWaalsContact O-N 3.09Å; N152-T154 PolarHBondContact OD1-N 2.91Å; N152-T154 PolarHBondContact OD1-OG1 3.16Å; N152-T154 VanDerWaalsContact OD1-OG1 3.09Å; N152-K155 PolarHBondContact O-N 3.29Å; N152-K155 PolarHBondContact OD1-N 3.23Å; N152-K155 VanDerWaalsContact OD1-N 3.1Å; N152-K156 PolarHBondContact OD1-N 2.69Å; N152-S158 PolarHBondContact ND2-N 2.82Å; N152-S158 VanDerWaalsContact ND2-N 3.17Å; N152-S158 PolarHBondContact ND2-O 2.84Å
153Q59.5Low80.5Confident188 Ų18857.4 Ų57.488%0.87928%0.282SS*.THydrogen-bonded Turntrans-61.9-19.5179.4-62.8-179.21.600113.4V151V151-Q153 PolarHBondContact O-N 2.8Å
154T57.3Low80.3Confident70 Ų7056.2 Ų56.243%0.42928%0.277SS..THydrogen-bonded Turntrans-97.1-2.5-174.164.60000114.5N152 K156N152-T154 PolarHBondContact O-N 3.43Å; N152-T154 VanDerWaalsContact O-N 3.09Å; N152-T154 PolarHBondContact OD1-N 2.91Å; N152-T154 PolarHBondContact OD1-OG1 3.16Å; N152-T154 VanDerWaalsContact OD1-OG1 3.09Å; T154-K156 WeakPolarHBondContact O-CG 3.39Å; T154-K156 PolarHBondContact O-N 3.07Å
155K63.1Low80Confident112 Ų11260 Ų6049%0.48729%0.294SS..  trans50.124.1-173.8-58.8-171.3-176.3-173.90114.4A54 D55 N152 N157A54-K155 PolarHBondContact O-NZ 3.07Å; D55-K155 VanDerWaalsContact C-NZ 3.32Å; D55-K155 VanDerWaalsContact O-CE 3.24Å; D55-K155 WeakPolarHBondContact O-CE 3.46Å; D55-K155 PolarHBondContact O-NZ 2.6Å; N152-K155 PolarHBondContact O-N 3.29Å; N152-K155 PolarHBondContact OD1-N 3.23Å; N152-K155 VanDerWaalsContact OD1-N 3.1Å; K155-N157 PolarHBondContact O-N 3.37Å
156K62.7Low79.8Confident138 Ų13860.5 Ų60.560%0.631%0.307SS*.SBendtrans-8416.8-174.8-71.1-172.2-176.5-176.30114N152 T154 S158N152-K156 PolarHBondContact OD1-N 2.69Å; T154-K156 WeakPolarHBondContact O-CG 3.39Å; T154-K156 PolarHBondContact O-N 3.07Å; K156-S158 PolarHBondContact O-N 3.42Å; K156-S158 PolarHBondContact O-OG 2.92Å
157N73.1Confident79.7Confident96 Ų9659.1 Ų59.151%0.51330%0.301SS..SBendtrans43.333.4-175-73-9.1000114M148 K155M148-N157 HydrophobicContact CE-CB 4.42Å; K155-N157 PolarHBondContact O-N 3.37Å
158S82.3Confident79.6Confident20 Ų2057.5 Ų57.514%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-153.4142.5-17956.10000111.9N152 K156 R194 L195N152-S158 PolarHBondContact ND2-N 2.82Å; N152-S158 VanDerWaalsContact ND2-N 3.17Å; N152-S158 PolarHBondContact ND2-O 2.84Å; K156-S158 PolarHBondContact O-N 3.42Å; K156-S158 PolarHBondContact O-OG 2.92Å; S158-R194 PolarHBondContact OG-NE 2.89Å; S158-L195 CarbonylContact C-O 3.13Å; S158-L195 WeakPolarHBondContact CA-O 3.46Å; S158-L195 WeakPolarHBondContact CB-O 3.42Å
159L85.6Confident79.6Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-101.5129.6-179.3-66.3172.1000111.2M148 V151 E163 L167 R194 L195 F200M148-L159 HydrophobicContact CB-CD1 4.43Å; M148-L159 HydrophobicContact CG-CD1 3.88Å; M148-L159 HydrophobicContact CG-CD2 3.84Å; M148-L159 HydrophobicContact CG-CG 3.68Å; M148-L159 HydrophobicContact SD-CG 4.29Å; V151-L159 HydrophobicContact CG2-CD2 3.46Å; V151-L159 VanDerWaalsContact CG2-CD2 3.46Å; L159-E163 HydrophobicContact CD2-CB 4.31Å; L159-L167 HydrophobicContact CD1-CD2 4.27Å; L159-R194 CarbonylContact O-C 3.33Å; L159-R194 WeakPolarHBondContact O-CA 3.29Å; L159-L195 PolarHBondContact N-O 3.18Å; L159-L195 PolarHBondContact O-N 3.04Å; L159-F200 HydrophobicContact CD1-CB 4.44Å; L159-F200 HydrophobicContact CD1-CD1 4.31Å; L159-F200 HydrophobicContact CD1-CD2 3.74Å; L159-F200 HydrophobicContact CD1-CE2 4.02Å; L159-F200 HydrophobicContact CD1-CG 3.9Å; L159-F200 HydrophobicContact CD1-CZ 4.42Å
160S86.8Confident79.7Confident30 Ų3060.6 Ų60.621%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-75159.9165.365.60000111.5K162 E163 L164S160-K162 PolarHBondContact O-N 3.47Å; S160-E163 VanDerWaalsContact CB-OE2 3.32Å; S160-E163 WeakPolarHBondContact CB-OE2 3.41Å; S160-E163 PolarHBondContact N-OE2 2.84Å; S160-E163 PolarHBondContact O-N 3.09Å; S160-E163 VanDerWaalsContact OG-CD 3.28Å; S160-E163 VanDerWaalsContact OG-CG 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.46Å; S160-E163 PolarHBondContact OG-N 3.35Å; S160-E163 PolarHBondContact OG-OE2 2.82Å; S160-L164 PolarHBondContact O-N 2.92Å
161V83.9Confident79.9Confident32 Ų3257.5 Ų57.519%0.19429%0.293CS..Hα-helixtrans-59.5-31.8174.2-179.20000112.2K165 L181 L185 D193V161-K165 WeakPolarHBondContact O-CG 3.46Å; V161-K165 PolarHBondContact O-N 2.9Å; V161-L181 HydrophobicContact CG1-CD2 4.47Å; V161-L185 HydrophobicContact CG1-CD1 4.39Å; V161-L185 HydrophobicContact CG2-CD1 3.98Å; V161-D193 HydrophobicContact CG2-CB 4.18Å; V161-D193 PolarHBondContact N-O 2.57Å
162K84.1Confident80.4Confident179 Ų17956.7 Ų56.778%0.77829%0.289SS*.Hα-helixtrans-65.9-47175.6-174.2179.3178.1-179.70111.1S160 K165 A166S160-K162 PolarHBondContact O-N 3.47Å; K162-K165 PolarHBondContact O-N 3.03Å; K162-A166 PolarHBondContact O-N 2.82Å; K162-A166 VanDerWaalsContact O-N 3.16Å
163E87.9Confident81.3Confident31 Ų3157.5 Ų57.515%0.14529%0.291CS..Hα-helixtrans-64.1-39.7176.1-71159.1145.600111.4V151 L159 S160 K165 A166 L167V151-E163 HydrophobicContact CB-CB 4.42Å; V151-E163 HydrophobicContact CG2-CB 4.27Å; L159-E163 HydrophobicContact CD2-CB 4.31Å; S160-E163 VanDerWaalsContact CB-OE2 3.32Å; S160-E163 WeakPolarHBondContact CB-OE2 3.41Å; S160-E163 PolarHBondContact N-OE2 2.84Å; S160-E163 PolarHBondContact O-N 3.09Å; S160-E163 VanDerWaalsContact OG-CD 3.28Å; S160-E163 VanDerWaalsContact OG-CG 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.46Å; S160-E163 PolarHBondContact OG-N 3.35Å; S160-E163 PolarHBondContact OG-OE2 2.82Å; E163-K165 PolarHBondContact O-N 2.67Å; E163-A166 PolarHBondContact O-N 3.14Å; E163-L167 WeakPolarHBondContact O-CB 3.32Å; E163-L167 PolarHBondContact O-N 2.86Å
164L87.7Confident82.5Confident0 Ų053.6 Ų53.60%027%0.271CS..Hα-helixtrans-61.7-43.9176-17862.7000112.2S160 A166 L167 L168 L181 L185 L195 F200 F203S160-L164 PolarHBondContact O-N 2.92Å; L164-A166 VanDerWaalsContact C-N 3.28Å; L164-A166 PolarHBondContact O-N 3.28Å; L164-L167 PolarHBondContact O-N 2.58Å; L164-L167 VanDerWaalsContact O-N 3.14Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.38Å; L164-L168 VanDerWaalsContact O-N 3.08Å; L164-L181 HydrophobicContact CD2-CD1 4.33Å; L164-L185 HydrophobicContact CD2-CD2 3.92Å; L164-L195 HydrophobicContact CD2-CD1 4.23Å; L164-L195 HydrophobicContact CD2-CD2 4.19Å; L164-F200 HydrophobicContact CD1-CD2 4.37Å; L164-F200 HydrophobicContact CD1-CE2 4.09Å; L164-F203 HydrophobicContact CD1-CD1 4.36Å; L164-F203 HydrophobicContact CD1-CE1 3.94Å; L164-F203 HydrophobicContact CD2-CE1 4.05Å; L164-F203 HydrophobicContact CD2-CZ 4.05Å; L164-F203 HydrophobicContact CG-CE1 4.43Å
165K85.8Confident83.7Confident81 Ų8152.8 Ų52.835%0.35227%0.266SS..Hα-helixtrans-62.3-35175.9-76.6-179174.1-169.80112.5V161 K162 E163 P169 V175 L181V161-K165 WeakPolarHBondContact O-CG 3.46Å; V161-K165 PolarHBondContact O-N 2.9Å; K162-K165 PolarHBondContact O-N 3.03Å; E163-K165 PolarHBondContact O-N 2.67Å; K165-P169 WeakPolarHBondContact O-CD 3.07Å; K165-V175 HydrophobicContact CG-CG1 4.18Å; K165-V175 WeakPolarHBondContact O-CG2 3.48Å; K165-L181 HydrophobicContact CD-CD2 4.43Å; K165-L181 HydrophobicContact CG-CD2 3.88Å
166A85.4Confident84.6Confident56 Ų5648.5 Ų48.546%0.46325%0.25SC..Hα-helixtrans-73.9-31174.200000112.5K162 E163 L164K162-A166 PolarHBondContact O-N 2.82Å; K162-A166 VanDerWaalsContact O-N 3.16Å; E163-A166 PolarHBondContact O-N 3.14Å; L164-A166 VanDerWaalsContact C-N 3.28Å; L164-A166 PolarHBondContact O-N 3.28Å
167L88.9Confident85.4Confident0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-72.4-42.9-179.5-176.861000112.6Q147 V151 L159 E163 L164 L170 L171 F200Q147-L167 HydrophobicContact CB-CD1 4.24Å; Q147-L167 HydrophobicContact CB-CD2 4.42Å; V151-L167 HydrophobicContact CG1-CB 4.24Å; V151-L167 HydrophobicContact CG1-CD1 4Å; V151-L167 HydrophobicContact CG2-CB 4.31Å; V151-L167 HydrophobicContact CG2-CD1 4.32Å; V151-L167 HydrophobicContact CG2-CD2 4.26Å; L159-L167 HydrophobicContact CD1-CD2 4.27Å; E163-L167 WeakPolarHBondContact O-CB 3.32Å; E163-L167 PolarHBondContact O-N 2.86Å; L164-L167 PolarHBondContact O-N 2.58Å; L164-L167 VanDerWaalsContact O-N 3.14Å; L167-L170 HydrophobicContact CD1-CD1 4.48Å; L167-L170 WeakPolarHBondContact O-CA 3.22Å; L167-L170 VanDerWaalsContact O-CB 3.25Å; L167-L170 WeakPolarHBondContact O-CB 3.23Å; L167-L170 PolarHBondContact O-N 2.9Å; L167-L171 HydrophobicContact CD1-CD2 4.02Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CD2-CD1 4.45Å; L167-L171 HydrophobicContact CG-CD1 4.1Å; L167-L171 HydrophobicContact CG-CD2 4.31Å; L167-L171 HydrophobicContact CG-CG 4.07Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.17Å; L167-F200 HydrophobicContact CD2-CE2 3.99Å; L167-F200 HydrophobicContact CD2-CZ 3.74Å
168L89.3Confident85.7Confident2 Ų243.3 Ų43.31%0.0125%0.247CC..Hα-helixtrans-53.9-46.2-174.1-69.5172.6000114.1L164 L170 L171 N172 Y173 V175 F203 M207L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.38Å; L164-L168 VanDerWaalsContact O-N 3.08Å; L168-L170 VanDerWaalsContact C-N 3.26Å; L168-L170 PolarHBondContact O-N 2.61Å; L168-L171 CarbonylContact O-C 3.55Å; L168-L171 WeakPolarHBondContact O-CA 3.07Å; L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 3.42Å; L168-N172 PolarHBondContact O-N 3.35Å; L168-Y173 CarbonylContact C-O 3.4Å; L168-Y173 HydrophobicContact CB-CD1 4.47Å; L168-Y173 HydrophobicContact CD2-CD1 4Å; L168-Y173 PolarHBondContact O-N 3.12Å; L168-V175 HydrophobicContact CB-CG2 4.11Å; L168-V175 HydrophobicContact CD1-CG1 4.43Å; L168-V175 HydrophobicContact CD1-CG2 4.45Å; L168-F203 HydrophobicContact CD2-CE1 4.31Å; L168-M207 HydrophobicContact CD2-CE 3.63Å; L168-M207 HydrophobicContact CD2-SD 3.71Å
169P87.3Confident85.7Confident36 Ų3652 Ų5223%0.23428%0.277CS..Hα-helixtrans-64.1-26.8173.7-23.634.9000114.1K165 L171 N172 V175 K1066K165-P169 WeakPolarHBondContact O-CD 3.07Å; P169-L171 VanDerWaalsContact C-N 3.32Å; P169-N172 PolarHBondContact O-N 2.92Å; P169-V175 HydrophobicContact CG-CG2 3.76Å; P169-K1066 WeakPolarHBondContact O-CE 3.5Å; P169-K1066 PolarHBondContact O-NZ 3.32Å
170L86.9Confident85.5Confident95 Ų9554.1 Ų54.150%0.49729%0.294SS..Hα-helixtrans-70.8-31.6173.2-59.9174.5000111.1V151 L167 L168 N172V151-L170 HydrophobicContact CG1-CD1 4.19Å; L167-L170 HydrophobicContact CD1-CD1 4.48Å; L167-L170 WeakPolarHBondContact O-CA 3.22Å; L167-L170 VanDerWaalsContact O-CB 3.25Å; L167-L170 WeakPolarHBondContact O-CB 3.23Å; L167-L170 PolarHBondContact O-N 2.9Å; L168-L170 VanDerWaalsContact C-N 3.26Å; L168-L170 PolarHBondContact O-N 2.61Å; L170-N172 PolarHBondContact O-N 3.14Å
171L89.4Confident85.5Confident12 Ų1252.9 Ų52.96%0.06329%0.285CS..THydrogen-bonded Turntrans-797.4173.8-51.9-173.6000113.6W143 Q147 L167 L168 P169 Y173 L1098W143-L171 HydrophobicContact CH2-CD1 4.18Å; W143-L171 HydrophobicContact CH2-CD2 3.66Å; W143-L171 HydrophobicContact CH2-CG 4.32Å; W143-L171 HydrophobicContact CZ2-CD2 3.82Å; Q147-L171 HydrophobicContact CB-CD2 4.08Å; Q147-L171 VanDerWaalsContact CD-CD2 3.48Å; Q147-L171 HydrophobicContact CG-CD2 3.51Å; L167-L171 HydrophobicContact CD1-CD2 4.02Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CD2-CD1 4.45Å; L167-L171 HydrophobicContact CG-CD1 4.1Å; L167-L171 HydrophobicContact CG-CD2 4.31Å; L167-L171 HydrophobicContact CG-CG 4.07Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.17Å; L168-L171 CarbonylContact O-C 3.55Å; L168-L171 WeakPolarHBondContact O-CA 3.07Å; L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 3.42Å; P169-L171 VanDerWaalsContact C-N 3.32Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 2.99Å; L171-L1098 HydrophobicContact CB-CD2 4.49Å; L171-L1098 WeakPolarHBondContact O-CB 3.13Å
172N91Very high85.5Confident3 Ų358.6 Ų58.62%0.01631%0.307CS..THydrogen-bonded Turntrans6630.8-177.3-144.8-0.4000113.2L168 P169 L170 L1064 P1065 I1071 A1072 G1097 L1098L168-N172 PolarHBondContact O-N 3.35Å; P169-N172 PolarHBondContact O-N 2.92Å; L170-N172 PolarHBondContact O-N 3.14Å; N172-L1064 PolarHBondContact ND2-O 3.12Å; N172-P1065 PolarHBondContact ND2-O 3.1Å; N172-I1071 WeakPolarHBondContact OD1-CA 3.22Å; N172-I1071 WeakPolarHBondContact OD1-CG2 3.46Å; N172-A1072 PolarHBondContact OD1-N 3.28Å; N172-G1097 WeakPolarHBondContact ND2-CA 3.44Å; N172-G1097 PolarHBondContact O-N 3.06Å; N172-L1098 PolarHBondContact O-N 3.46Å; N172-L1098 VanDerWaalsContact O-N 3.15Å
173Y89.5Confident85.5Confident26 Ų2654.1 Ų54.110%0.10229%0.292CS..BIsolated β-bridgetrans-125.1130.7-179.9-172.2-98.2000111.9L168 L171 V175 P176 M207 L1098L168-Y173 CarbonylContact C-O 3.4Å; L168-Y173 HydrophobicContact CB-CD1 4.47Å; L168-Y173 HydrophobicContact CD2-CD1 4Å; L168-Y173 PolarHBondContact O-N 3.12Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 2.99Å; Y173-V175 PolarHBondContact O-N 2.97Å; Y173-P176 HydrophobicContact CE1-CG 3.84Å; Y173-M207 HydrophobicContact CD1-CE 3.44Å; Y173-M207 VanDerWaalsContact CD1-CE 3.44Å; Y173-M207 HydrophobicContact CD2-CE 3.98Å; Y173-M207 HydrophobicContact CE1-CE 3.57Å; Y173-M207 HydrophobicContact CE1-SD 4.4Å; Y173-M207 HydrophobicContact CE2-CE 4.11Å; Y173-M207 HydrophobicContact CG-CE 3.63Å; Y173-L1098 HydrophobicContact CD2-CB 4.17Å; Y173-L1098 HydrophobicContact CD2-CD2 4.01Å; Y173-L1098 HydrophobicContact CG-CD2 4.05Å
174K85.6Confident85.3Confident106 Ų10653.5 Ų53.546%0.46129%0.288SS..PPolyproline II helixtrans-70.4129.7179.8-171.2172-168.7161.50110.7P176 I1071 D1095K174-P176 VanDerWaalsContact O-CD 3.27Å; K174-P176 WeakPolarHBondContact O-CD 3.45Å; K174-I1071 HydrophobicContact CB-CD1 4.06Å; K174-D1095 HydrophobicContact CD-CB 4.08Å; K174-D1095 IonicContact NZ-OD2 2.74Å; K174-D1095 PolarHBondContact NZ-OD2 3.18Å
175V82.4Confident85.3Confident53 Ų5354 Ų5432%0.32129%0.291SS..PPolyproline II helixtrans-59.8121.3179.8-176.60000109.5K165 L168 P169 Y173K165-V175 HydrophobicContact CG-CG1 4.18Å; K165-V175 WeakPolarHBondContact O-CG2 3.48Å; L168-V175 HydrophobicContact CB-CG2 4.11Å; L168-V175 HydrophobicContact CD1-CG1 4.43Å; L168-V175 HydrophobicContact CD1-CG2 4.45Å; P169-V175 HydrophobicContact CG-CG2 3.76Å; Y173-V175 PolarHBondContact O-N 2.97Å
176P80.8Confident85.3Confident22 Ų2257.2 Ų57.214%0.14331%0.307CS..PPolyproline II helixtrans-62.6155.5175.2-22.233.5000111.3Y173 K174 A180Y173-P176 HydrophobicContact CE1-CG 3.84Å; K174-P176 VanDerWaalsContact O-CD 3.27Å; K174-P176 WeakPolarHBondContact O-CD 3.45Å; P176-A180 HydrophobicContact CB-CB 4.19Å
177G80.1Confident85.3Confident53 Ų5361 Ų6155%0.54632%0.316SS..PPolyproline II helixtrans-53.8146.4173.500000111.8R179 A180 L181G177-R179 PolarHBondContact O-N 3.44Å; G177-A180 PolarHBondContact O-N 3.24Å; G177-L181 PolarHBondContact O-N 2.6Å
178S79.2Confident85.1Confident72 Ų7261.8 Ų61.850%0.50332%0.32SS..Hα-helixtrans-53.7-27.7-172.4-70.10000114.7K182S178-K182 VanDerWaalsContact O-CG 3.32Å; S178-K182 WeakPolarHBondContact O-CG 3.31Å; S178-K182 PolarHBondContact O-N 2.81Å
179R81.6Confident84.8Confident204 Ų20463.3 Ų63.377%0.7734%0.337SS*.Hα-helixtrans-71.5-53.9174.1-174.2176.5-177.7168.61.2111.8G177 L181 K182 D183G177-R179 PolarHBondContact O-N 3.44Å; R179-L181 VanDerWaalsContact C-N 3.27Å; R179-L181 PolarHBondContact O-N 3.11Å; R179-K182 WeakPolarHBondContact O-CB 3.45Å; R179-K182 PolarHBondContact O-N 3.03Å; R179-D183 VanDerWaalsContact O-CG 3.29Å; R179-D183 PolarHBondContact O-N 2.96Å
180A82.9Confident84.5Confident44 Ų4462.8 Ų62.836%0.36433%0.332SS..Hα-helixtrans-58.7-39.3178.600000112.2P176 G177 D183 K184P176-A180 HydrophobicContact CB-CB 4.19Å; G177-A180 PolarHBondContact O-N 3.24Å; A180-D183 PolarHBondContact O-N 3.06Å; A180-K184 WeakPolarHBondContact O-CG 3.16Å; A180-K184 PolarHBondContact O-N 2.84Å; A180-K184 VanDerWaalsContact O-N 3.15Å
181L85.2Confident83.6Confident3 Ų367.6 Ų67.62%0.01635%0.349CS..Hα-helixtrans-64-41.9175.2-175.563.1000111.9V161 L164 K165 G177 R179 K184 L185 F203V161-L181 HydrophobicContact CG1-CD2 4.47Å; L164-L181 HydrophobicContact CD2-CD1 4.33Å; K165-L181 HydrophobicContact CD-CD2 4.43Å; K165-L181 HydrophobicContact CG-CD2 3.88Å; G177-L181 PolarHBondContact O-N 2.6Å; R179-L181 VanDerWaalsContact C-N 3.27Å; R179-L181 PolarHBondContact O-N 3.11Å; L181-K184 PolarHBondContact O-N 2.84Å; L181-L185 HydrophobicContact CG-CD1 4.16Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.48Å; L181-F203 HydrophobicContact CD1-CE2 4.03Å; L181-F203 HydrophobicContact CD1-CZ 3.74Å
182K84.2Confident82.6Confident152 Ų15275.7 Ų75.766%0.66138%0.384SS*.Hα-helixtrans-63.6-42176.7-80.1-178.9177.8-171.70112.2S178 R179 K184 L185 Q186S178-K182 VanDerWaalsContact O-CG 3.32Å; S178-K182 WeakPolarHBondContact O-CG 3.31Å; S178-K182 PolarHBondContact O-N 2.81Å; R179-K182 WeakPolarHBondContact O-CB 3.45Å; R179-K182 PolarHBondContact O-N 3.03Å; K182-K184 PolarHBondContact O-N 3.25Å; K182-L185 PolarHBondContact O-N 2.82Å; K182-Q186 PolarHBondContact O-N 2.79Å
183D84.8Confident81.9Confident86 Ų8681.4 Ų81.446%0.4642%0.415SS..Hα-helixtrans-60.7-45.8179.4-62.2-22.3000110.4R179 A180 L185 Q186 E187R179-D183 VanDerWaalsContact O-CG 3.29Å; R179-D183 PolarHBondContact O-N 2.96Å; A180-D183 PolarHBondContact O-N 3.06Å; D183-L185 PolarHBondContact O-N 2.86Å; D183-Q186 WeakPolarHBondContact O-CB 3.41Å; D183-Q186 PolarHBondContact O-N 3.03Å; D183-E187 PolarHBondContact O-N 3.2Å; D183-E187 VanDerWaalsContact O-N 3.09Å
184K84.5Confident81.6Confident17 Ų1784.3 Ų84.37%0.07443%0.425CS..Hα-helixtrans-62.2-42.4174.6-68.4-179.9-175.5-1610113.4A180 L181 K182 Q186 E187 V188 F203 E210A180-K184 WeakPolarHBondContact O-CG 3.16Å; A180-K184 PolarHBondContact O-N 2.84Å; A180-K184 VanDerWaalsContact O-N 3.15Å; L181-K184 PolarHBondContact O-N 2.84Å; K182-K184 PolarHBondContact O-N 3.25Å; K184-Q186 VanDerWaalsContact C-N 3.25Å; K184-Q186 PolarHBondContact O-N 2.97Å; K184-E187 WeakPolarHBondContact O-CB 3.39Å; K184-E187 PolarHBondContact O-N 2.82Å; K184-V188 WeakPolarHBondContact O-CG2 3.41Å; K184-V188 PolarHBondContact O-N 2.88Å; K184-V188 VanDerWaalsContact O-N 3.17Å; K184-F203 HydrophobicContact CB-CD2 4.32Å; K184-F203 HydrophobicContact CB-CE2 3.85Å; K184-F203 HydrophobicContact CD-CE2 4.21Å; K184-E210 WeakPolarHBondContact CE-OE1 3.46Å; K184-E210 IonicContact NZ-OE1 3.94Å; K184-E210 PolarHBondContact NZ-OE1 3.36Å; K184-E210 IonicContact NZ-OE2 3.61Å; K184-E210 PolarHBondContact NZ-OE2 2.89Å
185L86.8Confident81.6Confident11 Ų1179.2 Ų79.26%0.05840%0.403CS..Hα-helixtrans-64.1-34.4178.3-70.3173000111.7V161 L164 L181 K182 D183 G189 V190 L195 F203V161-L185 HydrophobicContact CG1-CD1 4.39Å; V161-L185 HydrophobicContact CG2-CD1 3.98Å; L164-L185 HydrophobicContact CD2-CD2 3.92Å; L181-L185 HydrophobicContact CG-CD1 4.16Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.82Å; D183-L185 PolarHBondContact O-N 2.86Å; L185-G189 PolarHBondContact O-N 3.41Å; L185-V190 HydrophobicContact CB-CB 4.33Å; L185-V190 HydrophobicContact CB-CG2 4.28Å; L185-V190 HydrophobicContact CD2-CG2 4.12Å; L185-V190 VanDerWaalsContact O-CB 3.32Å; L185-V190 WeakPolarHBondContact O-CB 3.35Å; L185-V190 VanDerWaalsContact O-CG2 3.29Å; L185-V190 WeakPolarHBondContact O-CG2 3.46Å; L185-V190 PolarHBondContact O-N 2.73Å; L185-L195 HydrophobicContact CD2-CD1 3.79Å; L185-L195 HydrophobicContact CD2-CD2 3.7Å; L185-L195 HydrophobicContact CD2-CG 4.06Å; L185-F203 HydrophobicContact CD2-CD2 4.24Å; L185-F203 HydrophobicContact CD2-CE2 4.24Å
186Q85.6Confident81.9Confident148 Ų14880 Ų8069%0.69241%0.406SS*.Hα-helixtrans-68.2-40.5175.1-173.2174.810.500111.9K182 D183 K184 V188 G189K182-Q186 PolarHBondContact O-N 2.79Å; D183-Q186 WeakPolarHBondContact O-CB 3.41Å; D183-Q186 PolarHBondContact O-N 3.03Å; K184-Q186 VanDerWaalsContact C-N 3.25Å; K184-Q186 PolarHBondContact O-N 2.97Å; Q186-V188 VanDerWaalsContact C-N 3.28Å; Q186-V188 PolarHBondContact O-N 2.81Å; Q186-G189 WeakPolarHBondContact O-CA 3.26Å; Q186-G189 PolarHBondContact O-N 3.1Å
187E85.3Confident82.3Confident136 Ų13680.6 Ų80.664%0.63641%0.406SS*.Hα-helixtrans-59.8-38.5176.5-172.2175.6172.400112.4D183 K184 G189 L206D183-E187 PolarHBondContact O-N 3.2Å; D183-E187 VanDerWaalsContact O-N 3.09Å; K184-E187 WeakPolarHBondContact O-CB 3.39Å; K184-E187 PolarHBondContact O-N 2.82Å; E187-G189 PolarHBondContact O-N 2.98Å; E187-L206 HydrophobicContact CB-CD1 4.45Å; E187-L206 HydrophobicContact CG-CD1 4.12Å
188V85.6Confident82.6Confident17 Ų1783.9 Ų83.910%0.10341%0.407CS..THydrogen-bonded Turntrans-76.2-6.8176179.30000112.6K184 Q186 Q199 K202 F203 L206K184-V188 WeakPolarHBondContact O-CG2 3.41Å; K184-V188 PolarHBondContact O-N 2.88Å; K184-V188 VanDerWaalsContact O-N 3.17Å; Q186-V188 VanDerWaalsContact C-N 3.28Å; Q186-V188 PolarHBondContact O-N 2.81Å; V188-Q199 HydrophobicContact CG1-CB 3.73Å; V188-Q199 HydrophobicContact CG1-CG 4.11Å; V188-Q199 WeakPolarHBondContact CG1-O 3.49Å; V188-K202 HydrophobicContact CG1-CB 4.08Å; V188-F203 HydrophobicContact CG2-CB 4.04Å; V188-F203 HydrophobicContact CG2-CD2 4.35Å; V188-L206 HydrophobicContact CG2-CD1 3.46Å; V188-L206 VanDerWaalsContact CG2-CD1 3.46Å
189G82.8Confident83.1Confident34 Ų3482.2 Ų82.235%0.35139%0.391SS..THydrogen-bonded Turntrans82.428.4175.400000114.8L185 Q186 E187 K191 Q199L185-G189 PolarHBondContact O-N 3.41Å; Q186-G189 WeakPolarHBondContact O-CA 3.26Å; Q186-G189 PolarHBondContact O-N 3.1Å; E187-G189 PolarHBondContact O-N 2.98Å; G189-K191 PolarHBondContact O-N 2.77Å; G189-Q199 PolarHBondContact O-NE2 3.21Å
190V80.8Confident83.5Confident24 Ų2472.6 Ų72.615%0.14536%0.355CS..  trans-70.9122.1178.2179.60000110.6L185 L195L185-V190 HydrophobicContact CB-CB 4.33Å; L185-V190 HydrophobicContact CB-CG2 4.28Å; L185-V190 HydrophobicContact CD2-CG2 4.12Å; L185-V190 VanDerWaalsContact O-CB 3.32Å; L185-V190 WeakPolarHBondContact O-CB 3.35Å; L185-V190 VanDerWaalsContact O-CG2 3.29Å; L185-V190 WeakPolarHBondContact O-CG2 3.46Å; L185-V190 PolarHBondContact O-N 2.73Å; V190-L195 HydrophobicContact CG2-CD1 4.43Å; V190-L195 HydrophobicContact CG2-CD2 4.42Å; V190-L195 HydrophobicContact CG2-CG 3.83Å
191K68.3Low83.8Confident196 Ų19672.1 Ų72.185%0.85235%0.345SS*.  trans-111.4-13.6-175.1-65.3-179.1-175.6176.30115.5G189G189-K191 PolarHBondContact O-N 2.77Å
192K67.8Low83.8Confident183 Ų18376.8 Ų76.880%0.79637%0.365SS*.SBendtrans-137.929.8-170.4-67.2-174.9177.3177.50114.1R194K192-R194 PolarHBondContact O-N 2.83Å
193D75.4Confident84.1Confident122 Ų12269.6 Ų69.665%0.65233%0.334SS*.SBendtrans51.623.2-176.1-64.3-35.5000114.8V161V161-D193 HydrophobicContact CG2-CB 4.18Å; V161-D193 PolarHBondContact N-O 2.57Å
194R83.1Confident84.3Confident87 Ų8765.9 Ų65.933%0.32831%0.314SS..EExtended strand (participates in β ladder)trans-135.5136.9174.6-61.2-173.583.6122.57.9109.7S158 L159 K192S158-R194 PolarHBondContact OG-NE 2.89Å; L159-R194 CarbonylContact O-C 3.33Å; L159-R194 WeakPolarHBondContact O-CA 3.29Å; K192-R194 PolarHBondContact O-N 2.83Å
195L87.6Confident84.4Confident0 Ų067.3 Ų67.30%032%0.322CS..EExtended strand (participates in β ladder)trans-103.2126.9176-63.179.3000108.5S158 L159 L164 L185 V190 Q199 F203S158-L195 CarbonylContact C-O 3.13Å; S158-L195 WeakPolarHBondContact CA-O 3.46Å; S158-L195 WeakPolarHBondContact CB-O 3.42Å; L159-L195 PolarHBondContact N-O 3.18Å; L159-L195 PolarHBondContact O-N 3.04Å; L164-L195 HydrophobicContact CD2-CD1 4.23Å; L164-L195 HydrophobicContact CD2-CD2 4.19Å; L185-L195 HydrophobicContact CD2-CD1 3.79Å; L185-L195 HydrophobicContact CD2-CD2 3.7Å; L185-L195 HydrophobicContact CD2-CG 4.06Å; V190-L195 HydrophobicContact CG2-CD1 4.43Å; V190-L195 HydrophobicContact CG2-CD2 4.42Å; V190-L195 HydrophobicContact CG2-CG 3.83Å; L195-Q199 HydrophobicContact CB-CB 4.22Å; L195-F203 HydrophobicContact CD2-CB 4.35Å; L195-F203 HydrophobicContact CD2-CG 4.45Å
196D88.5Confident84.2Confident70 Ų7069 Ų6937%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-76179161.961.937.7000111E198 Q199 F200D196-E198 PolarHBondContact OD1-N 2.64Å; D196-E198 VanDerWaalsContact OD1-N 3.16Å; D196-Q199 VanDerWaalsContact N-OE1 3.1Å; D196-Q199 PolarHBondContact O-N 3.06Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.3Å; D196-Q199 VanDerWaalsContact OD1-CG 3.23Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 2.91Å; D196-F200 WeakPolarHBondContact O-CB 3.23Å; D196-F200 PolarHBondContact O-N 3.19Å
197F87.7Confident84.3Confident33 Ų3362.2 Ų62.215%0.14530%0.299CS..Hα-helixtrans-63.4-40.8-178.4-180-103.5000113E141 L144 R145 M148 Q199 F200 H201E141-F197 HydrophobicContact CG-CE1 3.93Å; E141-F197 HydrophobicContact CG-CZ 3.64Å; L144-F197 HydrophobicContact CB-CE2 4.01Å; L144-F197 HydrophobicContact CB-CZ 4.39Å; R145-F197 HydrophobicContact CB-CE2 4.29Å; R145-F197 HydrophobicContact CG-CD2 3.99Å; R145-F197 HydrophobicContact CG-CE1 4.41Å; R145-F197 HydrophobicContact CG-CE2 3.3Å; R145-F197 HydrophobicContact CG-CZ 3.56Å; R145-F197 VanDerWaalsContact NH2-CE1 3.33Å; M148-F197 HydrophobicContact CE-CB 4.19Å; M148-F197 HydrophobicContact CE-CD2 4.29Å; M148-F197 HydrophobicContact SD-CB 4.22Å; M148-F197 HydrophobicContact SD-CD2 4.18Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; F197-Q199 PolarHBondContact O-N 2.76Å; F197-F200 PolarHBondContact O-N 2.75Å; F197-H201 WeakPolarHBondContact O-CB 3.06Å; F197-H201 PolarHBondContact O-N 3.38Å
198E87.5Confident84.2Confident122 Ų12255.9 Ų55.957%0.5727%0.27SS*.Hα-helixtrans-65.9-40.9-179.1-167-167.7150.800110.7D196 H201 K202D196-E198 PolarHBondContact OD1-N 2.64Å; D196-E198 VanDerWaalsContact OD1-N 3.16Å; E198-H201 PolarHBondContact O-N 2.94Å; E198-K202 WeakPolarHBondContact O-CG 3.23Å; E198-K202 PolarHBondContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.37Å; E198-K202 IonicContact OE1-NZ 3.83Å; E198-K202 PolarHBondContact OE1-NZ 3.3Å
199Q90Very high83.6Confident37 Ų3756.1 Ų56.117%0.17327%0.27CS..Hα-helixtrans-64-44.4172.4-70.8174.2-2800111.3V188 G189 L195 D196 F197 H201 K202 F203V188-Q199 HydrophobicContact CG1-CB 3.73Å; V188-Q199 HydrophobicContact CG1-CG 4.11Å; V188-Q199 WeakPolarHBondContact CG1-O 3.49Å; G189-Q199 PolarHBondContact O-NE2 3.21Å; L195-Q199 HydrophobicContact CB-CB 4.22Å; D196-Q199 VanDerWaalsContact N-OE1 3.1Å; D196-Q199 PolarHBondContact O-N 3.06Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.3Å; D196-Q199 VanDerWaalsContact OD1-CG 3.23Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 2.91Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; F197-Q199 PolarHBondContact O-N 2.76Å; Q199-H201 VanDerWaalsContact C-N 3.33Å; Q199-H201 PolarHBondContact O-N 3.45Å; Q199-K202 PolarHBondContact O-N 3.47Å; Q199-F203 WeakPolarHBondContact O-CB 3.38Å; Q199-F203 PolarHBondContact O-N 2.7Å
200F89.9Confident82.8Confident3 Ų359.5 Ų59.51%0.01328%0.276CS..Hα-helixtrans-62.4-40.1176.6179.4-120000112.4L144 M148 L159 L164 L167 D196 F197 F203 Y204L144-F200 HydrophobicContact CB-CE1 4.14Å; L144-F200 HydrophobicContact CD2-CD1 4.4Å; L144-F200 HydrophobicContact CD2-CE1 3.67Å; L144-F200 HydrophobicContact CD2-CZ 4.06Å; M148-F200 HydrophobicContact CB-CD1 4.46Å; M148-F200 HydrophobicContact CB-CE1 4.47Å; L159-F200 HydrophobicContact CD1-CB 4.44Å; L159-F200 HydrophobicContact CD1-CD1 4.31Å; L159-F200 HydrophobicContact CD1-CD2 3.74Å; L159-F200 HydrophobicContact CD1-CE2 4.02Å; L159-F200 HydrophobicContact CD1-CG 3.9Å; L159-F200 HydrophobicContact CD1-CZ 4.42Å; L164-F200 HydrophobicContact CD1-CD2 4.37Å; L164-F200 HydrophobicContact CD1-CE2 4.09Å; L167-F200 HydrophobicContact CD2-CE2 3.99Å; L167-F200 HydrophobicContact CD2-CZ 3.74Å; D196-F200 WeakPolarHBondContact O-CB 3.23Å; D196-F200 PolarHBondContact O-N 3.19Å; F197-F200 PolarHBondContact O-N 2.75Å; F200-F203 WeakPolarHBondContact O-CB 3.41Å; F200-F203 PolarHBondContact O-N 3.36Å; F200-Y204 WeakPolarHBondContact O-CB 3.28Å; F200-Y204 PolarHBondContact O-N 3.4Å
201H88.1Confident81.9Confident33 Ų3358.8 Ų58.815%0.15327%0.271CS..Hα-helixtrans-61-47.6175.1-169.8-102.9000111.8L144 F197 E198 Q199 F203 Y204 N205L144-H201 WeakPolarHBondContact CD1-CD2 3.33Å; F197-H201 WeakPolarHBondContact O-CB 3.06Å; F197-H201 PolarHBondContact O-N 3.38Å; E198-H201 PolarHBondContact O-N 2.94Å; Q199-H201 VanDerWaalsContact C-N 3.33Å; Q199-H201 PolarHBondContact O-N 3.45Å; H201-F203 VanDerWaalsContact C-N 3.35Å; H201-F203 PolarHBondContact O-N 3.35Å; H201-Y204 PolarHBondContact O-N 2.94Å; H201-N205 PolarHBondContact O-N 3.05Å
202K86.7Confident81.5Confident101 Ų10153.6 Ų53.644%0.43925%0.253SS..Hα-helixtrans-61.7-42.1174.6-72.6174.3-171.9167.40112V188 E198 Q199 N205 L206V188-K202 HydrophobicContact CG1-CB 4.08Å; E198-K202 WeakPolarHBondContact O-CG 3.23Å; E198-K202 PolarHBondContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.37Å; E198-K202 IonicContact OE1-NZ 3.83Å; E198-K202 PolarHBondContact OE1-NZ 3.3Å; Q199-K202 PolarHBondContact O-N 3.47Å; K202-N205 PolarHBondContact O-N 2.81Å; K202-L206 WeakPolarHBondContact O-CG 3.48Å; K202-L206 PolarHBondContact O-N 3.45Å
203F89.1Confident81.4Confident2 Ų248.3 Ų48.31%0.00923%0.231CC..Hα-helixtrans-61.1-43.9176.3179.1-97.8000112L164 L168 L181 K184 L185 V188 L195 Q199 F200 H201 L206 M207L164-F203 HydrophobicContact CD1-CD1 4.36Å; L164-F203 HydrophobicContact CD1-CE1 3.94Å; L164-F203 HydrophobicContact CD2-CE1 4.05Å; L164-F203 HydrophobicContact CD2-CZ 4.05Å; L164-F203 HydrophobicContact CG-CE1 4.43Å; L168-F203 HydrophobicContact CD2-CE1 4.31Å; L181-F203 HydrophobicContact CD1-CE2 4.03Å; L181-F203 HydrophobicContact CD1-CZ 3.74Å; K184-F203 HydrophobicContact CB-CD2 4.32Å; K184-F203 HydrophobicContact CB-CE2 3.85Å; K184-F203 HydrophobicContact CD-CE2 4.21Å; L185-F203 HydrophobicContact CD2-CD2 4.24Å; L185-F203 HydrophobicContact CD2-CE2 4.24Å; V188-F203 HydrophobicContact CG2-CB 4.04Å; V188-F203 HydrophobicContact CG2-CD2 4.35Å; L195-F203 HydrophobicContact CD2-CB 4.35Å; L195-F203 HydrophobicContact CD2-CG 4.45Å; Q199-F203 WeakPolarHBondContact O-CB 3.38Å; Q199-F203 PolarHBondContact O-N 2.7Å; F200-F203 WeakPolarHBondContact O-CB 3.41Å; F200-F203 PolarHBondContact O-N 3.36Å; H201-F203 VanDerWaalsContact C-N 3.35Å; H201-F203 PolarHBondContact O-N 3.35Å; F203-L206 PolarHBondContact O-N 2.93Å; F203-M207 HydrophobicContact CD1-SD 3.82Å; F203-M207 HydrophobicContact CE1-CG 4.14Å; F203-M207 HydrophobicContact CE1-SD 3.19Å; F203-M207 WeakPolarHBondContact CE1-SD 3.38Å; F203-M207 HydrophobicContact CZ-CG 4.29Å; F203-M207 HydrophobicContact CZ-SD 3.7Å; F203-M207 WeakPolarHBondContact O-CG 3.28Å; F203-M207 PolarHBondContact O-N 2.89Å
204Y89.6Confident81.3Confident7 Ų742.6 Ų42.63%0.02720%0.2CC..Hα-helixtrans-60.1-47.1173.3164.3-94.8000111.5I140 W143 L144 F200 H201 L206 M207 M208 H1063I140-Y204 HydrophobicContact CG2-CE1 3.71Å; W143-Y204 HydrophobicContact CZ3-CD2 4.24Å; W143-Y204 AromaticContact CZ3-CE2 3.91Å; W143-Y204 HydrophobicContact CZ3-CE2 3.91Å; L144-Y204 HydrophobicContact CD1-CD1 3.71Å; L144-Y204 HydrophobicContact CD1-CE1 4.16Å; L144-Y204 HydrophobicContact CD1-CG 4.03Å; L144-Y204 HydrophobicContact CD2-CD1 4.11Å; L144-Y204 HydrophobicContact CD2-CD2 3.7Å; L144-Y204 HydrophobicContact CD2-CE2 4.27Å; L144-Y204 HydrophobicContact CD2-CG 3.6Å; L144-Y204 HydrophobicContact CG-CD1 4.45Å; L144-Y204 HydrophobicContact CG-CG 4.41Å; F200-Y204 WeakPolarHBondContact O-CB 3.28Å; F200-Y204 PolarHBondContact O-N 3.4Å; H201-Y204 PolarHBondContact O-N 2.94Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 3.37Å; Y204-M207 WeakPolarHBondContact O-CB 3.46Å; Y204-M207 PolarHBondContact O-N 2.83Å; Y204-M207 VanDerWaalsContact O-N 3.11Å; Y204-M208 HydrophobicContact CD1-CG 4.27Å; Y204-M208 HydrophobicContact CD2-CG 3.93Å; Y204-M208 HydrophobicContact CD2-SD 4.43Å; Y204-M208 HydrophobicContact CE1-CG 3.86Å; Y204-M208 HydrophobicContact CE2-CE 4.37Å; Y204-M208 HydrophobicContact CE2-CG 3.48Å; Y204-M208 VanDerWaalsContact CE2-CG 3.48Å; Y204-M208 HydrophobicContact CE2-SD 3.77Å; Y204-M208 HydrophobicContact CG-CG 4.31Å; Y204-M208 VanDerWaalsContact CZ-CG 3.44Å; Y204-M208 WeakPolarHBondContact O-CG 3.33Å; Y204-M208 PolarHBondContact O-N 2.86Å; Y204-H1063 AromaticContact CE2-NE2 3.72Å; Y204-H1063 AromaticContact CZ-NE2 3.82Å; Y204-H1063 PolarHBondContact OH-CE1 3.23Å; Y204-H1063 PolarHBondContact OH-NE2 3.39Å; Y204-H1063 VanDerWaalsContact OH-NE2 3.12Å
205N85.7Confident80.7Confident47 Ų4738.6 Ų38.625%0.25119%0.186SC..Hα-helixtrans-59.9-42.6178.2-74.5-19.8000112.2H201 K202 M207 M208 F209H201-N205 PolarHBondContact O-N 3.05Å; K202-N205 PolarHBondContact O-N 2.81Å; N205-M207 PolarHBondContact O-N 3.07Å; N205-M208 PolarHBondContact O-N 3.25Å; N205-F209 WeakPolarHBondContact O-CB 3.39Å; N205-F209 PolarHBondContact O-N 3.23Å
206L83.9Confident79.7Confident48 Ų4843.2 Ų43.225%0.25121%0.21SC..Hα-helixtrans-59.3-45.5173.9-72173.7000111.6E187 V188 K202 F203 Y204 M208 F209 E210E187-L206 HydrophobicContact CB-CD1 4.45Å; E187-L206 HydrophobicContact CG-CD1 4.12Å; V188-L206 HydrophobicContact CG2-CD1 3.46Å; V188-L206 VanDerWaalsContact CG2-CD1 3.46Å; K202-L206 WeakPolarHBondContact O-CG 3.48Å; K202-L206 PolarHBondContact O-N 3.45Å; F203-L206 PolarHBondContact O-N 2.93Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 3.37Å; L206-M208 PolarHBondContact O-N 3.19Å; L206-F209 PolarHBondContact O-N 3.5Å; L206-E210 PolarHBondContact O-N 3.28Å
207M86.4Confident78.7Confident4 Ų441.4 Ų41.42%0.0220%0.2CC..Hα-helixtrans-61.1-42.8176.7-74.8178.945.700112.8L168 Y173 F203 Y204 N205 F209 L1098 N1099L168-M207 HydrophobicContact CD2-CE 3.63Å; L168-M207 HydrophobicContact CD2-SD 3.71Å; Y173-M207 HydrophobicContact CD1-CE 3.44Å; Y173-M207 VanDerWaalsContact CD1-CE 3.44Å; Y173-M207 HydrophobicContact CD2-CE 3.98Å; Y173-M207 HydrophobicContact CE1-CE 3.57Å; Y173-M207 HydrophobicContact CE1-SD 4.4Å; Y173-M207 HydrophobicContact CE2-CE 4.11Å; Y173-M207 HydrophobicContact CG-CE 3.63Å; F203-M207 HydrophobicContact CD1-SD 3.82Å; F203-M207 HydrophobicContact CE1-CG 4.14Å; F203-M207 HydrophobicContact CE1-SD 3.19Å; F203-M207 WeakPolarHBondContact CE1-SD 3.38Å; F203-M207 HydrophobicContact CZ-CG 4.29Å; F203-M207 HydrophobicContact CZ-SD 3.7Å; F203-M207 WeakPolarHBondContact O-CG 3.28Å; F203-M207 PolarHBondContact O-N 2.89Å; Y204-M207 WeakPolarHBondContact O-CB 3.46Å; Y204-M207 PolarHBondContact O-N 2.83Å; Y204-M207 VanDerWaalsContact O-N 3.11Å; N205-M207 PolarHBondContact O-N 3.07Å; M207-F209 PolarHBondContact O-N 2.91Å; M207-L1098 HydrophobicContact CE-CD2 3.6Å; M207-N1099 PolarHBondContact O-ND2 3.47Å
208M83.9Confident77.8Confident3 Ų340 Ų402%0.01519%0.193CC..Hα-helixtrans-70.8-24178.4-62.1-55-80.700112.4Y204 N205 L206 Q211 R1062 L1098 N1099Y204-M208 HydrophobicContact CD1-CG 4.27Å; Y204-M208 HydrophobicContact CD2-CG 3.93Å; Y204-M208 HydrophobicContact CD2-SD 4.43Å; Y204-M208 HydrophobicContact CE1-CG 3.86Å; Y204-M208 HydrophobicContact CE2-CE 4.37Å; Y204-M208 HydrophobicContact CE2-CG 3.48Å; Y204-M208 VanDerWaalsContact CE2-CG 3.48Å; Y204-M208 HydrophobicContact CE2-SD 3.77Å; Y204-M208 HydrophobicContact CG-CG 4.31Å; Y204-M208 VanDerWaalsContact CZ-CG 3.44Å; Y204-M208 WeakPolarHBondContact O-CG 3.33Å; Y204-M208 PolarHBondContact O-N 2.86Å; N205-M208 PolarHBondContact O-N 3.25Å; L206-M208 PolarHBondContact O-N 3.19Å; M208-Q211 PolarHBondContact O-OE1 3.2Å; M208-R1062 HydrophobicContact CE-CB 3.99Å; M208-R1062 VanDerWaalsContact CE-CD 3.41Å; M208-R1062 HydrophobicContact CE-CG 3.53Å; M208-L1098 HydrophobicContact SD-CD1 4.28Å; M208-L1098 HydrophobicContact SD-CD2 4.23Å; M208-L1098 HydrophobicContact SD-CG 3.95Å; M208-N1099 HydrophobicContact CE-CB 4.17Å; M208-N1099 HydrophobicContact SD-CB 4Å
209F72.3Confident76.8Confident23 Ų2337.7 Ų37.710%0.10118%0.182CC..Hα-helixtrans-92.1-14.6-177.4-166.5-98.1000114.4N205 L206 M207 Q211 L215 D234 V284 L288N205-F209 WeakPolarHBondContact O-CB 3.39Å; N205-F209 PolarHBondContact O-N 3.23Å; L206-F209 PolarHBondContact O-N 3.5Å; M207-F209 PolarHBondContact O-N 2.91Å; F209-Q211 PolarHBondContact O-N 2.89Å; F209-L215 HydrophobicContact CE1-CD1 4.42Å; F209-L215 HydrophobicContact CE2-CD1 4.36Å; F209-L215 HydrophobicContact CZ-CD1 3.86Å; F209-D234 WeakPolarHBondContact CE1-OD1 3.23Å; F209-V284 HydrophobicContact CE2-CB 3.99Å; F209-V284 HydrophobicContact CE2-CG1 3.79Å; F209-V284 HydrophobicContact CZ-CB 4.13Å; F209-V284 HydrophobicContact CZ-CG1 3.99Å; F209-L288 HydrophobicContact CD2-CD1 3.89Å; F209-L288 HydrophobicContact CE2-CD1 3.81Å
210E66.2Low75.5Confident104 Ų10443.7 Ų43.749%0.48620%0.203SC..  trans-58.4-1.1173.3-83.4-174.1157.900114.8K184 L206 N212K184-E210 WeakPolarHBondContact CE-OE1 3.46Å; K184-E210 IonicContact NZ-OE1 3.94Å; K184-E210 PolarHBondContact NZ-OE1 3.36Å; K184-E210 IonicContact NZ-OE2 3.61Å; K184-E210 PolarHBondContact NZ-OE2 2.89Å; L206-E210 PolarHBondContact O-N 3.28Å; E210-N212 PolarHBondContact O-N 2.88Å
211Q61.8Low74Confident9 Ų946.2 Ų46.24%0.04222%0.215CC..  trans-74.248.6171.3-56.3-179-44.100112.7M208 F209 E213 I214 N1099 V1101M208-Q211 PolarHBondContact O-OE1 3.2Å; F209-Q211 PolarHBondContact O-N 2.89Å; Q211-E213 PolarHBondContact O-N 2.87Å; Q211-I214 HydrophobicContact CB-CD1 3.8Å; Q211-I214 HydrophobicContact CB-CG1 4.03Å; Q211-I214 HydrophobicContact CG-CD1 4.26Å; Q211-I214 PolarHBondContact O-N 2.97Å; Q211-N1099 PolarHBondContact NE2-O 2.81Å; Q211-V1101 HydrophobicContact CB-CG2 4.22Å; Q211-V1101 HydrophobicContact CG-CG2 3.91Å
212N59.8Low72.2Confident87 Ų8748.5 Ų48.547%0.46524%0.239SC..Hα-helixtrans-50.5-27.2174.4-80-19.5000112.5E210 I214 L215 D216E210-N212 PolarHBondContact O-N 2.88Å; N212-I214 VanDerWaalsContact C-N 3.31Å; N212-I214 PolarHBondContact O-N 2.81Å; N212-L215 WeakPolarHBondContact O-CB 3.29Å; N212-L215 PolarHBondContact O-N 3.08Å; N212-L215 VanDerWaalsContact O-N 3.11Å; N212-D216 PolarHBondContact O-N 2.94Å
213E66.8Low70.7Confident73 Ų7343.7 Ų43.734%0.34122%0.218SC..Hα-helixtrans-62.3-33.3177.1-52.6-173.6158.700113.5Q211 E217 K1103Q211-E213 PolarHBondContact O-N 2.87Å; E213-E217 PolarHBondContact O-N 3.33Å; E213-E217 VanDerWaalsContact O-N 3.15Å; E213-K1103 VanDerWaalsContact CD-NZ 3.29Å; E213-K1103 WeakPolarHBondContact OE1-CE 3.43Å; E213-K1103 IonicContact OE1-NZ 3.97Å; E213-K1103 PolarHBondContact OE1-NZ 2.79Å; E213-K1103 WeakPolarHBondContact OE2-CE 3.16Å; E213-K1103 IonicContact OE2-NZ 3Å; E213-K1103 PolarHBondContact OE2-NZ 2.95Å
214I73.3Confident69.3Low1 Ų146.4 Ų46.41%0.00524%0.237CC..Hα-helixtrans-66.4-44.9173.3-64.3178.3000108.7Q211 N212 D216 E217 F218 L288 F292 A1060 V1101Q211-I214 HydrophobicContact CB-CD1 3.8Å; Q211-I214 HydrophobicContact CB-CG1 4.03Å; Q211-I214 HydrophobicContact CG-CD1 4.26Å; Q211-I214 PolarHBondContact O-N 2.97Å; N212-I214 VanDerWaalsContact C-N 3.31Å; N212-I214 PolarHBondContact O-N 2.81Å; I214-D216 VanDerWaalsContact C-N 3.32Å; I214-D216 PolarHBondContact O-N 3.5Å; I214-E217 VanDerWaalsContact O-CB 3.24Å; I214-E217 WeakPolarHBondContact O-CB 3.3Å; I214-E217 PolarHBondContact O-N 3.16Å; I214-E217 VanDerWaalsContact O-N 3.12Å; I214-F218 HydrophobicContact CG2-CD2 3.65Å; I214-F218 HydrophobicContact CG2-CE2 3.49Å; I214-F218 VanDerWaalsContact CG2-CE2 3.49Å; I214-F218 WeakPolarHBondContact O-CD2 3.42Å; I214-F218 PolarHBondContact O-N 2.66Å; I214-L288 HydrophobicContact CG2-CD2 3.89Å; I214-F292 HydrophobicContact CD1-CE2 4.42Å; I214-F292 HydrophobicContact CD1-CZ 4.41Å; I214-A1060 HydrophobicContact CD1-CB 3.87Å; I214-V1101 HydrophobicContact CD1-CG2 4.1Å; I214-V1101 HydrophobicContact CG1-CG1 4.02Å; I214-V1101 HydrophobicContact CG1-CG2 4.11Å
215L69.8Low67.9Low4 Ų449.7 Ų49.72%0.02125%0.252CS..Hα-helixtrans-63.7-37.6178.7-62.8174000112.2F209 N212 E217 F218 K219 L227 P233 V284 L288F209-L215 HydrophobicContact CE1-CD1 4.42Å; F209-L215 HydrophobicContact CE2-CD1 4.36Å; F209-L215 HydrophobicContact CZ-CD1 3.86Å; N212-L215 WeakPolarHBondContact O-CB 3.29Å; N212-L215 PolarHBondContact O-N 3.08Å; N212-L215 VanDerWaalsContact O-N 3.11Å; L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 2.85Å; L215-F218 PolarHBondContact O-N 3.36Å; L215-K219 WeakPolarHBondContact O-CB 3.42Å; L215-K219 VanDerWaalsContact O-CG 3.28Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 2.72Å; L215-L227 HydrophobicContact CD2-CD1 4.01Å; L215-L227 HydrophobicContact CD2-CD2 3.82Å; L215-P233 HydrophobicContact CD1-CB 4.07Å; L215-P233 HydrophobicContact CD1-CG 4.38Å; L215-V284 HydrophobicContact CD1-CG1 4.2Å; L215-V284 HydrophobicContact CD2-CG1 3.49Å; L215-V284 VanDerWaalsContact CD2-CG1 3.49Å; L215-V284 HydrophobicContact CG-CG1 4.5Å; L215-L288 HydrophobicContact CD2-CD1 4.1Å; L215-L288 HydrophobicContact CD2-CD2 4.22Å; L215-L288 HydrophobicContact CD2-CG 4.39Å; L215-L288 HydrophobicContact CG-CD1 4.39Å
216D67.9Low66.8Low96 Ų9647.8 Ų47.851%0.51324%0.242SC..Hα-helixtrans-62.8-36.8173.9-69.4-23.9000111.9N212 I214 K219 R220N212-D216 PolarHBondContact O-N 2.94Å; I214-D216 VanDerWaalsContact C-N 3.32Å; I214-D216 PolarHBondContact O-N 3.5Å; D216-K219 PolarHBondContact O-N 3.03Å; D216-R220 WeakPolarHBondContact O-CB 3.31Å; D216-R220 PolarHBondContact O-N 3.26Å; D216-R220 VanDerWaalsContact O-N 3.08Å
217E67Low65.6Low32 Ų3245.7 Ų45.715%0.1523%0.231CC..Hα-helixtrans-62.2-49.7172.5-165.770.1-158.500111.3E213 I214 L215 K219 R220 E221 K1057E213-E217 PolarHBondContact O-N 3.33Å; E213-E217 VanDerWaalsContact O-N 3.15Å; I214-E217 VanDerWaalsContact O-CB 3.24Å; I214-E217 WeakPolarHBondContact O-CB 3.3Å; I214-E217 PolarHBondContact O-N 3.16Å; I214-E217 VanDerWaalsContact O-N 3.12Å; L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 2.85Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 2.66Å; E217-R220 PolarHBondContact O-N 2.7Å; E217-R220 VanDerWaalsContact O-N 3.13Å; E217-R220 IonicContact OE1-CZ 2.63Å; E217-R220 IonicContact OE1-NH2 3.57Å; E217-R220 PolarHBondContact OE1-NH2 2.81Å; E217-R220 IonicContact OE2-CZ 3.82Å; E217-R220 IonicContact OE2-NH2 2.74Å; E217-R220 PolarHBondContact OE2-NH2 2.92Å; E217-E221 PolarHBondContact O-N 3.08Å; E217-K1057 IonicContact OE1-NZ 3.48Å; E217-K1057 PolarHBondContact OE1-NZ 3.23Å
218F69.1Low64.1Low4 Ų447 Ų472%0.01825%0.245CC..Hα-helixtrans-64.9-31.2178.2-82.4-81.9000113I214 L215 E221 C223 L227 L291 Y1151I214-F218 HydrophobicContact CG2-CD2 3.65Å; I214-F218 HydrophobicContact CG2-CE2 3.49Å; I214-F218 VanDerWaalsContact CG2-CE2 3.49Å; I214-F218 WeakPolarHBondContact O-CD2 3.42Å; I214-F218 PolarHBondContact O-N 2.66Å; L215-F218 PolarHBondContact O-N 3.36Å; F218-E221 VanDerWaalsContact O-O 3.12Å; F218-C223 HydrophobicContact CB-CB 4.42Å; F218-C223 HydrophobicContact CD1-CB 3.84Å; F218-C223 WeakPolarHBondContact O-CB 3.48Å; F218-L227 HydrophobicContact CB-CD1 3.59Å; F218-L291 HydrophobicContact CE1-CD1 4.25Å; F218-L291 HydrophobicContact CE2-CD1 3.81Å; F218-L291 HydrophobicContact CZ-CD1 3.42Å; F218-L291 VanDerWaalsContact CZ-CD1 3.42Å; F218-Y1151 HydrophobicContact CE1-CD1 4.02Å; F218-Y1151 AromaticContact CE1-CD2 3.98Å; F218-Y1151 HydrophobicContact CE1-CD2 3.98Å; F218-Y1151 AromaticContact CE1-CE1 3.99Å; F218-Y1151 HydrophobicContact CE1-CE1 3.99Å; F218-Y1151 AromaticContact CE1-CE2 3.92Å; F218-Y1151 HydrophobicContact CE1-CE2 3.92Å; F218-Y1151 HydrophobicContact CE1-CG 4.01Å; F218-Y1151 AromaticContact CE1-CZ 3.93Å; F218-Y1151 AromaticContact CZ-CD1 3.77Å; F218-Y1151 HydrophobicContact CZ-CD1 3.77Å; F218-Y1151 HydrophobicContact CZ-CD2 4.42Å; F218-Y1151 HydrophobicContact CZ-CE1 4.02Å; F218-Y1151 AromaticContact CZ-CG 3.99Å; F218-Y1151 HydrophobicContact CZ-CG 3.99Å
219K65.7Low62.5Low74 Ų7454.6 Ų54.632%0.32229%0.286SS..Hα-helixtrans-71.2-31173.8-76.5176.1179.4-176.80112.5L215 D216 E217 L227L215-K219 WeakPolarHBondContact O-CB 3.42Å; L215-K219 VanDerWaalsContact O-CG 3.28Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 2.72Å; D216-K219 PolarHBondContact O-N 3.03Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 2.66Å; K219-L227 HydrophobicContact CG-CD1 3.99Å
220R62.6Low61.5Low163 Ų16356.6 Ų56.662%0.61530%0.3SS*.Hα-helixtrans-81.6-35.3-179.3-172.9178.364.3-172.2-1.7112.6D216 E217D216-R220 WeakPolarHBondContact O-CB 3.31Å; D216-R220 PolarHBondContact O-N 3.26Å; D216-R220 VanDerWaalsContact O-N 3.08Å; E217-R220 PolarHBondContact O-N 2.7Å; E217-R220 VanDerWaalsContact O-N 3.13Å; E217-R220 IonicContact OE1-CZ 2.63Å; E217-R220 IonicContact OE1-NH2 3.57Å; E217-R220 PolarHBondContact OE1-NH2 2.81Å; E217-R220 IonicContact OE2-CZ 3.82Å; E217-R220 IonicContact OE2-NH2 2.74Å; E217-R220 PolarHBondContact OE2-NH2 2.92Å
221E58.4Low60.7Low56 Ų5659.5 Ų59.526%0.26232%0.319SS..THydrogen-bonded Turntrans-87.3172.1174.2-63.9-173.1168.400110.8E217 F218 C223 K1057 Y1151E217-E221 PolarHBondContact O-N 3.08Å; F218-E221 VanDerWaalsContact O-O 3.12Å; E221-C223 PolarHBondContact O-N 3.43Å; E221-K1057 IonicContact OE1-NZ 2.67Å; E221-Y1151 PolarHBondContact OE2-OH 3.4Å
222A49.8Very low60.4Low81 Ų8166.4 Ų66.467%0.66935%0.349SS*.THydrogen-bonded Turntrans-639.3-166.500000116.8F225A222-F225 WeakPolarHBondContact O-CD1 3.44Å
223C56.4Low60Low0 Ų063.3 Ų63.30%033%0.334CS..THydrogen-bonded Turntrans-89.611.4-179.7-69.80000114.2F218 E221 F225 I226F218-C223 HydrophobicContact CB-CB 4.42Å; F218-C223 HydrophobicContact CD1-CB 3.84Å; F218-C223 WeakPolarHBondContact O-CB 3.48Å; E221-C223 PolarHBondContact O-N 3.43Å; C223-F225 PolarHBondContact O-N 2.83Å; C223-I226 HydrophobicContact CB-CD1 4.18Å; C223-I226 WeakPolarHBondContact O-CB 3.17Å; C223-I226 PolarHBondContact O-N 3.37Å
224S58.4Low59.3Low59 Ų5966 Ų6641%0.41335%0.35SS..Hα-helixtrans-56.7-24.8179.763.40000114.2I226 G228S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 2.95Å; S224-G228 PolarHBondContact O-N 3.46Å
225F61.4Low58.3Low75 Ų7569.9 Ų69.933%0.32938%0.383SS..Hα-helixtrans-68.4-23.2175.872.8-88.1000113.8A222 C223 D242 R245A222-F225 WeakPolarHBondContact O-CD1 3.44Å; C223-F225 PolarHBondContact O-N 2.83Å; F225-D242 HydrophobicContact CD2-CB 4.23Å; F225-D242 HydrophobicContact CE2-CB 4.25Å; F225-R245 HydrophobicContact CE2-CB 3.88Å; F225-R245 HydrophobicContact CZ-CB 4.18Å
226I62.1Low58.1Low7 Ų770.7 Ų70.74%0.03639%0.389CS..Hα-helixtrans-81.4-37.4-178.5-60.7176.4000111.4C223 S224 V238 F246 F287C223-I226 HydrophobicContact CB-CD1 4.18Å; C223-I226 WeakPolarHBondContact O-CB 3.17Å; C223-I226 PolarHBondContact O-N 3.37Å; S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 2.95Å; I226-V238 HydrophobicContact CG2-CB 4.33Å; I226-V238 HydrophobicContact CG2-CG1 3.89Å; I226-V238 HydrophobicContact CG2-CG2 3.55Å; I226-F246 HydrophobicContact CD1-CB 3.68Å; I226-F246 HydrophobicContact CD1-CD2 3.59Å; I226-F246 HydrophobicContact CD1-CG 3.86Å; I226-F287 HydrophobicContact CD1-CZ 4.33Å; I226-F287 HydrophobicContact CG2-CE1 4.31Å; I226-F287 HydrophobicContact CG2-CZ 4.43Å
227L58.4Low58.5Low4 Ų468.1 Ų68.12%0.02138%0.38CS..Hα-helixtrans-96.7-12.4-170.1-66.4173.4000113.9L215 F218 K219 S236 V284L215-L227 HydrophobicContact CD2-CD1 4.01Å; L215-L227 HydrophobicContact CD2-CD2 3.82Å; F218-L227 HydrophobicContact CB-CD1 3.59Å; K219-L227 HydrophobicContact CG-CD1 3.99Å; L227-S236 WeakPolarHBondContact O-CB 3.34Å; L227-S236 PolarHBondContact O-OG 3.1Å; L227-V284 HydrophobicContact CD2-CG1 3.83Å; L227-V284 HydrophobicContact CD2-CG2 4.25Å
228G54.1Low59.3Low31 Ų3166.6 Ų66.632%0.3237%0.373SS..  trans69.2155.7-173.300000112.9S224 T230S224-G228 PolarHBondContact O-N 3.46Å; G228-T230 PolarHBondContact O-N 3.3Å
229N50.9Low60.2Low163 Ų16370.5 Ų70.587%0.87239%0.394SS*.SBendtrans-78.528.9175.4-85.5-8000112.9
230T51.5Low61.3Low65 Ų6567.3 Ų67.340%0.39938%0.38SS..  trans-94.7137.9-174.149.10000111.4G228 K232 S236G228-T230 PolarHBondContact O-N 3.3Å; T230-K232 PolarHBondContact O-N 3.24Å; T230-K232 VanDerWaalsContact O-N 3.09Å; T230-S236 PolarHBondContact OG1-OG 3.5Å
231D50.3Low62.5Low165 Ų16564.3 Ų64.388%0.88237%0.373SS*.SBendtrans-70.52.4174-63.1-39.9000113.1
232K53.6Low63.9Low154 Ų15463.1 Ų63.167%0.6737%0.368SS*.  trans-127.287.1178.8-69-170.2179.5-175.50110.3T230 D234 A235T230-K232 PolarHBondContact O-N 3.24Å; T230-K232 VanDerWaalsContact O-N 3.09Å; K232-D234 PolarHBondContact O-N 2.94Å; K232-A235 HydrophobicContact CB-CB 4.27Å; K232-A235 PolarHBondContact O-N 3.35Å; K232-A235 VanDerWaalsContact O-N 3.14Å
233P52.4Low65.8Low23 Ų2359.2 Ų59.215%0.14934%0.337CS..G310 helixtrans-59.9-28.4-179.821.2-29.9000113.1L215 A235 S236 V284L215-P233 HydrophobicContact CD1-CB 4.07Å; L215-P233 HydrophobicContact CD1-CG 4.38Å; P233-A235 PolarHBondContact O-N 3.02Å; P233-S236 PolarHBondContact O-N 2.83Å; P233-S236 VanDerWaalsContact O-N 3.17Å; P233-V284 VanDerWaalsContact O-CG2 3.25Å; P233-V284 WeakPolarHBondContact O-CG2 3.41Å
234D51.8Low67.5Low128 Ų12860.7 Ų60.768%0.68434%0.344SS*.G310 helixtrans-68.1-16178.7-51.2-34.6000114.3F209 K232F209-D234 WeakPolarHBondContact CE1-OD1 3.23Å; K232-D234 PolarHBondContact O-N 2.94Å
235A52.3Low69Low84 Ų8464 Ų6469%0.69435%0.347SS*.G310 helixtrans-96-3177.900000112.9K232 P233K232-A235 HydrophobicContact CB-CB 4.27Å; K232-A235 PolarHBondContact O-N 3.35Å; K232-A235 VanDerWaalsContact O-N 3.14Å; P233-A235 PolarHBondContact O-N 3.02Å
236S65.9Low70.3Confident21 Ų2160.5 Ų60.515%0.14733%0.331CS..  trans-93139.3178.4-64.80000110.5L227 T230 P233 V284L227-S236 WeakPolarHBondContact O-CB 3.34Å; L227-S236 PolarHBondContact O-OG 3.1Å; T230-S236 PolarHBondContact OG1-OG 3.5Å; P233-S236 PolarHBondContact O-N 2.83Å; P233-S236 VanDerWaalsContact O-N 3.17Å; S236-V284 WeakPolarHBondContact O-CG2 3.31Å
237A76.3Confident71.8Confident41 Ų4160.2 Ų60.234%0.33933%0.33SS..EExtended strand (participates in β ladder)trans-119.1140.6173.700000109.6L239 E281 F282A237-L239 PolarHBondContact O-N 3.18Å; A237-E281 HydrophobicContact CB-CB 4.44Å; A237-F282 CarbonylContact C-O 3.43Å; A237-F282 WeakPolarHBondContact CA-O 3.48Å
238V84.1Confident73.3Confident0 Ų061.7 Ų61.70%034%0.337CS..EExtended strand (participates in β ladder)trans-87.4107.4174.1-176.50000108.2I226 F243 E281 F282 F287I226-V238 HydrophobicContact CG2-CB 4.33Å; I226-V238 HydrophobicContact CG2-CG1 3.89Å; I226-V238 HydrophobicContact CG2-CG2 3.55Å; V238-F243 HydrophobicContact CG1-CB 4.05Å; V238-E281 WeakPolarHBondContact O-CA 3.33Å; V238-F282 HydrophobicContact CB-CB 4.2Å; V238-F282 PolarHBondContact N-O 3.3Å; V238-F282 PolarHBondContact O-N 3.44Å; V238-F287 HydrophobicContact CG2-CB 4.07Å; V238-F287 HydrophobicContact CG2-CG 4.18Å
239L87.8Confident75Confident86 Ų8667.4 Ų67.445%0.4535%0.35SS..EExtended strand (participates in β ladder)trans-74.6154.4-179.2-56.1177.5000111.3A237 H241 D242 F243A237-L239 PolarHBondContact O-N 3.18Å; L239-H241 VanDerWaalsContact C-N 3.28Å; L239-H241 PolarHBondContact O-N 3.46Å; L239-D242 PolarHBondContact O-N 3.34Å; L239-F243 PolarHBondContact O-N 2.8Å
240L88.1Confident76.7Confident7 Ų761.2 Ų61.24%0.03732%0.318CS..Hα-helixtrans-47.7-46.1178.7177.463.6000113.7Q244 L259 V262 R263 M266 P280L240-Q244 WeakPolarHBondContact O-CB 3.46Å; L240-Q244 PolarHBondContact O-N 3.18Å; L240-L259 HydrophobicContact CD1-CD1 4.33Å; L240-L259 HydrophobicContact CD2-CD1 3.98Å; L240-L259 HydrophobicContact CD2-CD2 4.32Å; L240-L259 HydrophobicContact CD2-CG 4.06Å; L240-L259 HydrophobicContact CG-CD1 3.86Å; L240-L259 HydrophobicContact CG-CG 4.47Å; L240-V262 HydrophobicContact CD1-CB 4.25Å; L240-V262 HydrophobicContact CD1-CG1 3.79Å; L240-R263 HydrophobicContact CD1-CB 4.13Å; L240-R263 HydrophobicContact CD2-CB 4.44Å; L240-M266 HydrophobicContact CB-SD 4.3Å; L240-M266 HydrophobicContact CD1-SD 3.52Å; L240-M266 VanDerWaalsContact CD1-SD 3.52Å; L240-P280 HydrophobicContact CD1-CG 4.36Å
241H88.3Confident78.6Confident101 Ų10158.2 Ų58.247%0.46830%0.299SS..Hα-helixtrans-72.1-30.7-179.3-75.2-65.2000113.6L239 R245L239-H241 VanDerWaalsContact C-N 3.28Å; L239-H241 PolarHBondContact O-N 3.46Å; H241-R245 VanDerWaalsContact O-CG 3.31Å; H241-R245 WeakPolarHBondContact O-CG 3.48Å; H241-R245 PolarHBondContact O-N 2.98Å
242D87.7Confident80.6Confident30 Ų3056.5 Ų56.516%0.1628%0.284CS..Hα-helixtrans-76.1-37.4176.8-63.9-43.2000110.4F225 L239 Q244 R245 F246F225-D242 HydrophobicContact CD2-CB 4.23Å; F225-D242 HydrophobicContact CE2-CB 4.25Å; L239-D242 PolarHBondContact O-N 3.34Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; D242-R245 WeakPolarHBondContact O-CB 3.43Å; D242-R245 PolarHBondContact O-N 2.95Å; D242-R245 IonicContact OD1-NH1 2.64Å; D242-R245 PolarHBondContact OD1-NH1 2.98Å; D242-F246 PolarHBondContact O-N 3.47Å
243F90.1Very high82.4Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-63.1-40.2169.7-171.8-119.3000112.1V238 L239 R245 F246 L247 V262 L265 M266 F282 F287 F290V238-F243 HydrophobicContact CG1-CB 4.05Å; L239-F243 PolarHBondContact O-N 2.8Å; F243-R245 PolarHBondContact O-N 3.16Å; F243-F246 HydrophobicContact CD2-CD1 4.08Å; F243-F246 HydrophobicContact CE2-CD1 4.01Å; F243-F246 HydrophobicContact CE2-CE1 4.41Å; F243-F246 WeakPolarHBondContact O-CB 3.28Å; F243-F246 PolarHBondContact O-N 2.96Å; F243-L247 HydrophobicContact CD1-CD1 4.01Å; F243-L247 HydrophobicContact CD1-CG 4.46Å; F243-L247 HydrophobicContact CE1-CD1 3.68Å; F243-L247 HydrophobicContact CE1-CD2 4.48Å; F243-L247 HydrophobicContact CE1-CG 4.18Å; F243-L247 HydrophobicContact CE2-CD2 4.43Å; F243-L247 HydrophobicContact CE2-CG 4.47Å; F243-L247 HydrophobicContact CZ-CD1 4.12Å; F243-L247 HydrophobicContact CZ-CD2 4.07Å; F243-L247 HydrophobicContact CZ-CG 4.18Å; F243-L247 WeakPolarHBondContact O-CG 3.44Å; F243-L247 PolarHBondContact O-N 3.03Å; F243-V262 HydrophobicContact CD1-CG1 3.62Å; F243-V262 HydrophobicContact CE1-CG1 4.2Å; F243-L265 HydrophobicContact CE1-CD2 4.07Å; F243-L265 HydrophobicContact CZ-CD2 4.28Å; F243-M266 HydrophobicContact CB-CE 4.47Å; F243-M266 HydrophobicContact CB-SD 4Å; F243-M266 HydrophobicContact CD1-CG 3.52Å; F243-M266 HydrophobicContact CD1-SD 3.59Å; F243-M266 VanDerWaalsContact CD1-SD 3.59Å; F243-M266 HydrophobicContact CE1-CG 3.75Å; F243-M266 HydrophobicContact CE1-SD 4.42Å; F243-M266 HydrophobicContact CG-CG 4.4Å; F243-M266 HydrophobicContact CG-SD 4.1Å; F243-F282 HydrophobicContact CD1-CE2 4.47Å; F243-F282 HydrophobicContact CD2-CD2 4.44Å; F243-F282 HydrophobicContact CD2-CE2 4.31Å; F243-F282 HydrophobicContact CE1-CE2 4.17Å; F243-F282 HydrophobicContact CE2-CD2 4.5Å; F243-F282 HydrophobicContact CE2-CE2 4.02Å; F243-F282 AromaticContact CZ-CE2 3.94Å; F243-F282 HydrophobicContact CZ-CE2 3.94Å; F243-F287 HydrophobicContact CD2-CD2 4.11Å; F243-F287 HydrophobicContact CD2-CE2 4Å; F243-F287 HydrophobicContact CE2-CD2 4.13Å; F243-F287 HydrophobicContact CE2-CE2 4.01Å; F243-F290 AromaticContact CE2-CD1 3.81Å; F243-F290 HydrophobicContact CE2-CD1 3.81Å; F243-F290 AromaticContact CE2-CE1 3.66Å; F243-F290 HydrophobicContact CE2-CE1 3.66Å; F243-F290 HydrophobicContact CE2-CZ 4.26Å; F243-F290 AromaticContact CZ-CD1 3.94Å; F243-F290 HydrophobicContact CZ-CD1 3.94Å; F243-F290 HydrophobicContact CZ-CD2 4.46Å; F243-F290 AromaticContact CZ-CE1 3.59Å; F243-F290 HydrophobicContact CZ-CE1 3.59Å; F243-F290 HydrophobicContact CZ-CE2 4.15Å; F243-F290 HydrophobicContact CZ-CG 4.37Å; F243-F290 AromaticContact CZ-CZ 3.7Å; F243-F290 HydrophobicContact CZ-CZ 3.7Å
244Q91.7Very high84.2Confident31 Ų3155.6 Ų55.615%0.14528%0.283CS..Hα-helixtrans-58.1-46.9172.2178.8-179.143.400111.8L240 D242 F246 L247 I248 A256 L259 V262L240-Q244 WeakPolarHBondContact O-CB 3.46Å; L240-Q244 PolarHBondContact O-N 3.18Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-F246 VanDerWaalsContact C-N 3.33Å; Q244-F246 PolarHBondContact O-N 3.34Å; Q244-L247 PolarHBondContact O-N 3.01Å; Q244-I248 HydrophobicContact CG-CD1 3.77Å; Q244-I248 WeakPolarHBondContact O-CG1 3.29Å; Q244-I248 PolarHBondContact O-N 3.07Å; Q244-A256 WeakPolarHBondContact CG-O 3.18Å; Q244-A256 PolarHBondContact NE2-O 2.95Å; Q244-L259 HydrophobicContact CB-CD1 4.46Å; Q244-V262 HydrophobicContact CB-CG1 4.31Å; Q244-V262 HydrophobicContact CB-CG2 4.45Å; Q244-V262 HydrophobicContact CG-CG2 4.38Å
245R89.1Confident86.1Confident129 Ų12953.5 Ų53.549%0.48727%0.266SS..Hα-helixtrans-60.1-44177.4-75.4169.4175.1170.9-3.5111.4F225 H241 D242 F243 L247 I248 Y249F225-R245 HydrophobicContact CE2-CB 3.88Å; F225-R245 HydrophobicContact CZ-CB 4.18Å; H241-R245 VanDerWaalsContact O-CG 3.31Å; H241-R245 WeakPolarHBondContact O-CG 3.48Å; H241-R245 PolarHBondContact O-N 2.98Å; D242-R245 WeakPolarHBondContact O-CB 3.43Å; D242-R245 PolarHBondContact O-N 2.95Å; D242-R245 IonicContact OD1-NH1 2.64Å; D242-R245 PolarHBondContact OD1-NH1 2.98Å; F243-R245 PolarHBondContact O-N 3.16Å; R245-L247 PolarHBondContact O-N 3.06Å; R245-I248 PolarHBondContact O-N 2.82Å; R245-Y249 HydrophobicContact CB-CD2 4.1Å; R245-Y249 HydrophobicContact CB-CE2 4.42Å; R245-Y249 HydrophobicContact CG-CD2 4.44Å; R245-Y249 HydrophobicContact CG-CE2 4.26Å; R245-Y249 WeakPolarHBondContact O-CB 3.43Å; R245-Y249 VanDerWaalsContact O-CD2 3.25Å; R245-Y249 WeakPolarHBondContact O-CD2 3.33Å; R245-Y249 PolarHBondContact O-N 2.93Å
246F90.3Very high88.1Confident0 Ų049.5 Ų49.50%023%0.233CC..Hα-helixtrans-56.2-49.1174.2171.3-105.7000112I226 D242 F243 Q244 I248 D250 Q251 F287 F290 L291 Y1151I226-F246 HydrophobicContact CD1-CB 3.68Å; I226-F246 HydrophobicContact CD1-CD2 3.59Å; I226-F246 HydrophobicContact CD1-CG 3.86Å; D242-F246 PolarHBondContact O-N 3.47Å; F243-F246 HydrophobicContact CD2-CD1 4.08Å; F243-F246 HydrophobicContact CE2-CD1 4.01Å; F243-F246 HydrophobicContact CE2-CE1 4.41Å; F243-F246 WeakPolarHBondContact O-CB 3.28Å; F243-F246 PolarHBondContact O-N 2.96Å; Q244-F246 VanDerWaalsContact C-N 3.33Å; Q244-F246 PolarHBondContact O-N 3.34Å; F246-I248 VanDerWaalsContact C-N 3.35Å; F246-I248 PolarHBondContact O-N 2.92Å; F246-D250 HydrophobicContact CD2-CB 3.75Å; F246-D250 HydrophobicContact CE2-CB 3.91Å; F246-D250 WeakPolarHBondContact O-CA 3.29Å; F246-D250 WeakPolarHBondContact O-CB 3.48Å; F246-D250 PolarHBondContact O-N 3.12Å; F246-Q251 HydrophobicContact CD1-CG 3.91Å; F246-Q251 HydrophobicContact CE1-CG 3.41Å; F246-Q251 VanDerWaalsContact CE1-CG 3.41Å; F246-Q251 HydrophobicContact CE2-CG 4.24Å; F246-Q251 VanDerWaalsContact CZ-CD 3.43Å; F246-Q251 HydrophobicContact CZ-CG 3.6Å; F246-Q251 VanDerWaalsContact CZ-OE1 3.25Å; F246-Q251 PolarHBondContact O-N 2.71Å; F246-F287 AromaticContact CD1-CE2 3.92Å; F246-F287 HydrophobicContact CD1-CE2 3.92Å; F246-F287 HydrophobicContact CD1-CZ 4.27Å; F246-F287 HydrophobicContact CD2-CZ 4.32Å; F246-F287 AromaticContact CE1-CE2 3.86Å; F246-F287 HydrophobicContact CE1-CE2 3.86Å; F246-F287 HydrophobicContact CE1-CZ 4.05Å; F246-F287 HydrophobicContact CE2-CZ 4.11Å; F246-F287 HydrophobicContact CG-CE2 4.36Å; F246-F287 HydrophobicContact CG-CZ 4.4Å; F246-F287 HydrophobicContact CZ-CE2 4.26Å; F246-F287 AromaticContact CZ-CZ 3.97Å; F246-F287 HydrophobicContact CZ-CZ 3.97Å; F246-F290 HydrophobicContact CE1-CE1 4.43Å; F246-L291 HydrophobicContact CE1-CD2 4.11Å; F246-L291 HydrophobicContact CZ-CD2 3.69Å; F246-Y1151 AromaticContact CE2-CD2 3.92Å; F246-Y1151 HydrophobicContact CE2-CD2 3.92Å; F246-Y1151 HydrophobicContact CZ-CD2 4.34Å
247L92.6Very high89.3Confident2 Ų253.5 Ų53.51%0.0125%0.253CS..Hα-helixtrans-60.1-43.6178.5-69.2175.8000111.9F243 Q244 R245 Q251 K252 E253 W255 A256 V262 F290F243-L247 HydrophobicContact CD1-CD1 4.01Å; F243-L247 HydrophobicContact CD1-CG 4.46Å; F243-L247 HydrophobicContact CE1-CD1 3.68Å; F243-L247 HydrophobicContact CE1-CD2 4.48Å; F243-L247 HydrophobicContact CE1-CG 4.18Å; F243-L247 HydrophobicContact CE2-CD2 4.43Å; F243-L247 HydrophobicContact CE2-CG 4.47Å; F243-L247 HydrophobicContact CZ-CD1 4.12Å; F243-L247 HydrophobicContact CZ-CD2 4.07Å; F243-L247 HydrophobicContact CZ-CG 4.18Å; F243-L247 WeakPolarHBondContact O-CG 3.44Å; F243-L247 PolarHBondContact O-N 3.03Å; Q244-L247 PolarHBondContact O-N 3.01Å; R245-L247 PolarHBondContact O-N 3.06Å; L247-Q251 HydrophobicContact CD2-CG 4.19Å; L247-Q251 CarbonylContact O-C 3.44Å; L247-Q251 WeakPolarHBondContact O-CB 3.46Å; L247-K252 PolarHBondContact O-N 3.32Å; L247-K252 VanDerWaalsContact O-N 3.08Å; L247-E253 HydrophobicContact CB-CB 4.3Å; L247-E253 WeakPolarHBondContact O-CB 3.46Å; L247-E253 PolarHBondContact O-N 2.76Å; L247-W255 HydrophobicContact CD1-CH2 3.8Å; L247-W255 HydrophobicContact CD1-CZ2 4.25Å; L247-A256 HydrophobicContact CB-CB 3.54Å; L247-A256 HydrophobicContact CD1-CB 3.87Å; L247-A256 HydrophobicContact CG-CB 4.37Å; L247-V262 HydrophobicContact CD1-CG1 4.03Å; L247-V262 HydrophobicContact CD1-CG2 4.05Å; L247-F290 HydrophobicContact CD2-CZ 4.48Å
248I91.3Very high90.1Very high34 Ų3454.5 Ų54.517%0.17425%0.253CS..Hα-helixtrans-73.9-47.6-177-65.7170000111.8Q244 R245 F246 K252 A256Q244-I248 HydrophobicContact CG-CD1 3.77Å; Q244-I248 WeakPolarHBondContact O-CG1 3.29Å; Q244-I248 PolarHBondContact O-N 3.07Å; R245-I248 PolarHBondContact O-N 2.82Å; F246-I248 VanDerWaalsContact C-N 3.35Å; F246-I248 PolarHBondContact O-N 2.92Å; I248-K252 WeakPolarHBondContact O-CA 3.36Å; I248-A256 HydrophobicContact CG1-CB 3.93Å
249Y88Confident90.5Very high151 Ų15156.7 Ų56.759%0.59226%0.264SS*.Hα-helixtrans-92.7-40-168-65.1-63.4000113.5R245 K252R245-Y249 HydrophobicContact CB-CD2 4.1Å; R245-Y249 HydrophobicContact CB-CE2 4.42Å; R245-Y249 HydrophobicContact CG-CD2 4.44Å; R245-Y249 HydrophobicContact CG-CE2 4.26Å; R245-Y249 WeakPolarHBondContact O-CB 3.43Å; R245-Y249 VanDerWaalsContact O-CD2 3.25Å; R245-Y249 WeakPolarHBondContact O-CD2 3.33Å; R245-Y249 PolarHBondContact O-N 2.93Å; Y249-K252 WeakPolarHBondContact O-CD 3.29Å; Y249-K252 WeakPolarHBondContact O-CE 3.48Å; Y249-K252 PolarHBondContact O-NZ 2.82Å
250D87.6Confident90.6Very high34 Ų3457.4 Ų57.418%0.18227%0.268CS..THydrogen-bonded Turntrans-92.7-46.2-178.4-59.9-74.7000110.9F246 G1150F246-D250 HydrophobicContact CD2-CB 3.75Å; F246-D250 HydrophobicContact CE2-CB 3.91Å; F246-D250 WeakPolarHBondContact O-CA 3.29Å; F246-D250 WeakPolarHBondContact O-CB 3.48Å; F246-D250 PolarHBondContact O-N 3.12Å; D250-G1150 VanDerWaalsContact O-CA 3.29Å; D250-G1150 WeakPolarHBondContact O-CA 3.42Å
251Q91Very high90.8Very high1 Ų160.9 Ų60.91%0.00528%0.284CS..SBendtrans-82.7-14.5179.4-52.3-65.9100.500113.9F246 L247 E253 N296 Y1151 R1152F246-Q251 HydrophobicContact CD1-CG 3.91Å; F246-Q251 HydrophobicContact CE1-CG 3.41Å; F246-Q251 VanDerWaalsContact CE1-CG 3.41Å; F246-Q251 HydrophobicContact CE2-CG 4.24Å; F246-Q251 VanDerWaalsContact CZ-CD 3.43Å; F246-Q251 HydrophobicContact CZ-CG 3.6Å; F246-Q251 VanDerWaalsContact CZ-OE1 3.25Å; F246-Q251 PolarHBondContact O-N 2.71Å; L247-Q251 HydrophobicContact CD2-CG 4.19Å; L247-Q251 CarbonylContact O-C 3.44Å; L247-Q251 WeakPolarHBondContact O-CB 3.46Å; Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 HydrophobicContact CB-CG 3.84Å; Q251-E253 PolarHBondContact O-N 3.01Å; Q251-N296 PolarHBondContact NE2-OD1 3.35Å; Q251-Y1151 PolarHBondContact NE2-O 2.84Å; Q251-Y1151 PolarHBondContact OE1-O 3.06Å; Q251-R1152 PolarHBondContact O-NH2 2.72Å
252K92.4Very high90.9Very high129 Ų12956.1 Ų56.156%0.56126%0.262SS*.  trans60.433.9-177.4-51.2-57.1-174.4-168.80114.2L247 I248 Y249L247-K252 PolarHBondContact O-N 3.32Å; L247-K252 VanDerWaalsContact O-N 3.08Å; I248-K252 WeakPolarHBondContact O-CA 3.36Å; Y249-K252 WeakPolarHBondContact O-CD 3.29Å; Y249-K252 WeakPolarHBondContact O-CE 3.48Å; Y249-K252 PolarHBondContact O-NZ 2.82Å
253E91.5Very high91.1Very high20 Ų2058 Ų589%0.09327%0.267CS..  trans-89.7109.3-179.8-65-59.4145.200112.2L247 Q251 W255 A256 R1148 R1152L247-E253 HydrophobicContact CB-CB 4.3Å; L247-E253 WeakPolarHBondContact O-CB 3.46Å; L247-E253 PolarHBondContact O-N 2.76Å; Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 HydrophobicContact CB-CG 3.84Å; Q251-E253 PolarHBondContact O-N 3.01Å; E253-W255 PolarHBondContact OE2-NE1 2.6Å; E253-A256 HydrophobicContact CB-CB 4.32Å; E253-R1148 IonicContact OE1-CZ 2.71Å; E253-R1148 IonicContact OE1-NE 2.94Å; E253-R1148 PolarHBondContact OE1-NE 2.76Å; E253-R1148 IonicContact OE1-NH2 3.51Å; E253-R1148 PolarHBondContact OE1-NH2 3.41Å; E253-R1148 IonicContact OE2-CZ 2.76Å; E253-R1148 IonicContact OE2-NE 3.59Å; E253-R1148 IonicContact OE2-NH2 2.86Å; E253-R1148 PolarHBondContact OE2-NH2 3.26Å; E253-R1152 IonicContact OE1-CZ 3.42Å; E253-R1152 IonicContact OE1-NH1 3.07Å; E253-R1152 PolarHBondContact OE1-NH1 3.33Å; E253-R1152 IonicContact OE1-NH2 2.7Å; E253-R1152 PolarHBondContact OE1-NH2 2.97Å
254L90.4Very high91Very high138 Ų13864 Ų6472%0.72330%0.295SS*.SBendtrans-76.2-26.5-177.7-64.2176.3000113.7A256 N257L254-A256 PolarHBondContact O-N 3.21Å; L254-N257 WeakPolarHBondContact O-CB 3.49Å; L254-N257 PolarHBondContact O-N 3.48Å; L254-N257 PolarHBondContact O-ND2 2.97Å
255W92.3Very high90.9Very high84 Ų8464 Ų6432%0.31830%0.296SS..G310 helixtrans-66.4-25.5177.563.6-96.2000111.8L247 E253 N257 D258 Q261 V262 L265L247-W255 HydrophobicContact CD1-CH2 3.8Å; L247-W255 HydrophobicContact CD1-CZ2 4.25Å; E253-W255 PolarHBondContact OE2-NE1 2.6Å; W255-N257 PolarHBondContact O-N 2.83Å; W255-D258 PolarHBondContact O-N 2.97Å; W255-Q261 HydrophobicContact CE3-CB 3.78Å; W255-Q261 HydrophobicContact CZ3-CB 3.85Å; W255-V262 HydrophobicContact CZ3-CG2 4.2Å; W255-L265 HydrophobicContact CH2-CD2 3.71Å; W255-L265 HydrophobicContact CZ2-CD2 4.34Å
256A92.8Very high90.9Very high0 Ų057.9 Ų57.90%027%0.273CS..G310 helixtrans-66.9-6177.800000113.8Q244 L247 I248 E253 L254 D258 V262Q244-A256 WeakPolarHBondContact CG-O 3.18Å; Q244-A256 PolarHBondContact NE2-O 2.95Å; L247-A256 HydrophobicContact CB-CB 3.54Å; L247-A256 HydrophobicContact CD1-CB 3.87Å; L247-A256 HydrophobicContact CG-CB 4.37Å; I248-A256 HydrophobicContact CG1-CB 3.93Å; E253-A256 HydrophobicContact CB-CB 4.32Å; L254-A256 PolarHBondContact O-N 3.21Å; A256-D258 PolarHBondContact O-N 3.08Å; A256-V262 HydrophobicContact CB-CG2 3.83Å
257N92.1Very high90.7Very high106 Ų10660.6 Ų60.657%0.56729%0.29SS*.G310 helixtrans-60.7-25.7165.8-73.5-58.6000112.1L254 W255 L259L254-N257 WeakPolarHBondContact O-CB 3.49Å; L254-N257 PolarHBondContact O-N 3.48Å; L254-N257 PolarHBondContact O-ND2 2.97Å; W255-N257 PolarHBondContact O-N 2.83Å; N257-L259 PolarHBondContact O-N 3.14Å
258D94Very high90.2Very high62 Ų6264.6 Ų64.633%0.33231%0.31SS..SBendtrans-85.1105.4170.3-174.6-4000110.7W255 A256 N260 Q261 V262W255-D258 PolarHBondContact O-N 2.97Å; A256-D258 PolarHBondContact O-N 3.08Å; D258-N260 PolarHBondContact O-N 2.97Å; D258-N260 WeakPolarHBondContact OD1-CB 3.41Å; D258-N260 PolarHBondContact OD1-N 3.36Å; D258-Q261 HydrophobicContact CB-CB 4.46Å; D258-Q261 HydrophobicContact CB-CG 4.23Å; D258-Q261 PolarHBondContact O-N 3.22Å; D258-Q261 PolarHBondContact OD2-NE2 2.71Å; D258-V262 PolarHBondContact O-N 2.83Å
259L91.3Very high89.7Confident46 Ų4663.4 Ų63.424%0.24130%0.303CS..Hα-helixtrans-60.6-27.8-178.6-167.768000113L240 Q244 N257 V262 R263L240-L259 HydrophobicContact CD1-CD1 4.33Å; L240-L259 HydrophobicContact CD2-CD1 3.98Å; L240-L259 HydrophobicContact CD2-CD2 4.32Å; L240-L259 HydrophobicContact CD2-CG 4.06Å; L240-L259 HydrophobicContact CG-CD1 3.86Å; L240-L259 HydrophobicContact CG-CG 4.47Å; Q244-L259 HydrophobicContact CB-CD1 4.46Å; N257-L259 PolarHBondContact O-N 3.14Å; L259-V262 PolarHBondContact O-N 2.87Å; L259-R263 WeakPolarHBondContact O-CB 3.42Å; L259-R263 PolarHBondContact O-N 2.86Å
260N90.8Very high89.4Confident101 Ų10157.1 Ų57.154%0.5428%0.28SS..Hα-helixtrans-69.1-38.4-179.9-64.9-51.6000111.6D258 R263 E264D258-N260 PolarHBondContact O-N 2.97Å; D258-N260 WeakPolarHBondContact OD1-CB 3.41Å; D258-N260 PolarHBondContact OD1-N 3.36Å; N260-R263 WeakPolarHBondContact O-CB 3.43Å; N260-R263 PolarHBondContact O-N 2.79Å; N260-E264 PolarHBondContact O-N 3Å
261Q91.1Very high88Confident80 Ų8059.7 Ų59.737%0.37429%0.294SS..Hα-helixtrans-66.9-39.1176.2-68.517849.800111.2W255 D258 R263 E264 L265W255-Q261 HydrophobicContact CE3-CB 3.78Å; W255-Q261 HydrophobicContact CZ3-CB 3.85Å; D258-Q261 HydrophobicContact CB-CB 4.46Å; D258-Q261 HydrophobicContact CB-CG 4.23Å; D258-Q261 PolarHBondContact O-N 3.22Å; D258-Q261 PolarHBondContact OD2-NE2 2.71Å; Q261-R263 VanDerWaalsContact C-N 3.34Å; Q261-R263 PolarHBondContact O-N 2.86Å; Q261-E264 PolarHBondContact O-N 3.18Å; Q261-L265 PolarHBondContact O-N 3.13Å
262V91.6Very high86.6Confident0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-62.5-43.4174.5-176.20000110.8L240 F243 Q244 L247 W255 A256 D258 L259 L265 M266L240-V262 HydrophobicContact CD1-CB 4.25Å; L240-V262 HydrophobicContact CD1-CG1 3.79Å; F243-V262 HydrophobicContact CD1-CG1 3.62Å; F243-V262 HydrophobicContact CE1-CG1 4.2Å; Q244-V262 HydrophobicContact CB-CG1 4.31Å; Q244-V262 HydrophobicContact CB-CG2 4.45Å; Q244-V262 HydrophobicContact CG-CG2 4.38Å; L247-V262 HydrophobicContact CD1-CG1 4.03Å; L247-V262 HydrophobicContact CD1-CG2 4.05Å; W255-V262 HydrophobicContact CZ3-CG2 4.2Å; A256-V262 HydrophobicContact CB-CG2 3.83Å; D258-V262 PolarHBondContact O-N 2.83Å; L259-V262 PolarHBondContact O-N 2.87Å; V262-L265 PolarHBondContact O-N 2.91Å; V262-M266 HydrophobicContact CG1-SD 4.46Å; V262-M266 WeakPolarHBondContact O-CG 3.42Å; V262-M266 PolarHBondContact O-N 2.87Å
263R90.6Very high84.8Confident71 Ų7161.2 Ų61.227%0.26831%0.312SS..Hα-helixtrans-61.9-44177179.1-177.6-67.2170.3-14.3112.2L240 L259 N260 Q261 M266 T267 N278 D279 P280L240-R263 HydrophobicContact CD1-CB 4.13Å; L240-R263 HydrophobicContact CD2-CB 4.44Å; L259-R263 WeakPolarHBondContact O-CB 3.42Å; L259-R263 PolarHBondContact O-N 2.86Å; N260-R263 WeakPolarHBondContact O-CB 3.43Å; N260-R263 PolarHBondContact O-N 2.79Å; Q261-R263 VanDerWaalsContact C-N 3.34Å; Q261-R263 PolarHBondContact O-N 2.86Å; R263-M266 PolarHBondContact O-N 2.74Å; R263-T267 WeakPolarHBondContact O-CB 3.49Å; R263-T267 PolarHBondContact O-N 2.87Å; R263-T267 PolarHBondContact O-OG1 2.88Å; R263-N278 WeakPolarHBondContact CD-O 3.43Å; R263-N278 PolarHBondContact NE-O 3.36Å; R263-N278 PolarHBondContact NH2-O 3.34Å; R263-N278 VanDerWaalsContact NH2-O 3.13Å; R263-D279 IonicContact CZ-OD1 3.04Å; R263-D279 IonicContact NH2-OD1 3.93Å; R263-D279 PolarHBondContact NH2-OD1 3.24Å; R263-P280 HydrophobicContact CG-CG 3.98Å
264E88.4Confident82.7Confident125 Ų12568.2 Ų68.258%0.58435%0.347SS*.Hα-helixtrans-61.6-47.7177.4-175.9172.4-166.700111.2N260 Q261 M266 T267 I268N260-E264 PolarHBondContact O-N 3Å; Q261-E264 PolarHBondContact O-N 3.18Å; E264-M266 VanDerWaalsContact C-N 3.35Å; E264-M266 PolarHBondContact O-N 3.43Å; E264-T267 PolarHBondContact O-N 3.08Å; E264-T267 VanDerWaalsContact O-N 3.15Å; E264-I268 HydrophobicContact CG-CD1 4.08Å; E264-I268 WeakPolarHBondContact O-CG1 3.5Å; E264-I268 PolarHBondContact O-N 2.97Å
265L89.1Confident81.4Confident31 Ų3165.4 Ų65.416%0.16233%0.327CS..Hα-helixtrans-57.1-46.4176.3178.563.5000112F243 W255 Q261 V262 T267 I268 F269 F290 E295F243-L265 HydrophobicContact CE1-CD2 4.07Å; F243-L265 HydrophobicContact CZ-CD2 4.28Å; W255-L265 HydrophobicContact CH2-CD2 3.71Å; W255-L265 HydrophobicContact CZ2-CD2 4.34Å; Q261-L265 PolarHBondContact O-N 3.13Å; V262-L265 PolarHBondContact O-N 2.91Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-T267 PolarHBondContact O-N 3.46Å; L265-I268 PolarHBondContact O-N 3.36Å; L265-F269 PolarHBondContact O-N 2.97Å; L265-F290 HydrophobicContact CD1-CE2 4.38Å; L265-F290 HydrophobicContact CD2-CE2 3.96Å; L265-F290 HydrophobicContact CD2-CZ 4.23Å; L265-F290 HydrophobicContact CG-CE2 4.38Å; L265-E295 HydrophobicContact CD1-CB 4.36Å
266M89.2Confident79.7Confident0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-63.1-42177.2-70.6-177.673.500111.9L240 F243 V262 R263 E264 I268 F269 I270 P280 F282L240-M266 HydrophobicContact CB-SD 4.3Å; L240-M266 HydrophobicContact CD1-SD 3.52Å; L240-M266 VanDerWaalsContact CD1-SD 3.52Å; F243-M266 HydrophobicContact CB-CE 4.47Å; F243-M266 HydrophobicContact CB-SD 4Å; F243-M266 HydrophobicContact CD1-CG 3.52Å; F243-M266 HydrophobicContact CD1-SD 3.59Å; F243-M266 VanDerWaalsContact CD1-SD 3.59Å; F243-M266 HydrophobicContact CE1-CG 3.75Å; F243-M266 HydrophobicContact CE1-SD 4.42Å; F243-M266 HydrophobicContact CG-CG 4.4Å; F243-M266 HydrophobicContact CG-SD 4.1Å; V262-M266 HydrophobicContact CG1-SD 4.46Å; V262-M266 WeakPolarHBondContact O-CG 3.42Å; V262-M266 PolarHBondContact O-N 2.87Å; R263-M266 PolarHBondContact O-N 2.74Å; E264-M266 VanDerWaalsContact C-N 3.35Å; E264-M266 PolarHBondContact O-N 3.43Å; M266-I268 VanDerWaalsContact C-N 3.33Å; M266-I268 PolarHBondContact O-N 3.19Å; M266-F269 PolarHBondContact O-N 3.16Å; M266-F269 VanDerWaalsContact O-N 3.13Å; M266-I270 VanDerWaalsContact O-CG1 3.32Å; M266-I270 WeakPolarHBondContact O-CG1 3.49Å; M266-I270 PolarHBondContact O-N 2.98Å; M266-I270 VanDerWaalsContact O-N 3.11Å; M266-P280 HydrophobicContact CB-CB 4.02Å; M266-P280 HydrophobicContact CB-CG 3.75Å; M266-P280 HydrophobicContact CE-CB 4.43Å; M266-P280 VanDerWaalsContact CE-O 3.31Å; M266-P280 WeakPolarHBondContact CE-O 3.44Å; M266-P280 HydrophobicContact SD-CG 4.25Å; M266-F282 HydrophobicContact CB-CE1 4.01Å; M266-F282 HydrophobicContact CB-CZ 3.96Å; M266-F282 HydrophobicContact CE-CD1 4.13Å; M266-F282 HydrophobicContact CE-CD2 4.03Å; M266-F282 HydrophobicContact CE-CE1 4.42Å; M266-F282 HydrophobicContact CE-CE2 4.34Å; M266-F282 HydrophobicContact CE-CG 3.94Å; M266-F282 HydrophobicContact CG-CE1 4.19Å; M266-F282 HydrophobicContact CG-CE2 3.95Å; M266-F282 HydrophobicContact CG-CZ 3.76Å; M266-F282 WeakPolarHBondContact O-CE1 3.24Å
267T86.4Confident78.3Confident58 Ų5872.9 Ų72.936%0.35637%0.368SS..Hα-helixtrans-65.4-36.3-178.4-54.60000112.2R263 E264 L265 F269R263-T267 WeakPolarHBondContact O-CB 3.49Å; R263-T267 PolarHBondContact O-N 2.87Å; R263-T267 PolarHBondContact O-OG1 2.88Å; E264-T267 PolarHBondContact O-N 3.08Å; E264-T267 VanDerWaalsContact O-N 3.15Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-T267 PolarHBondContact O-N 3.46Å; T267-F269 PolarHBondContact O-N 2.78Å
268I82.3Confident77.1Confident86 Ų8674.2 Ų74.244%0.44138%0.376SS..Hα-helixtrans-63.3-32.6175.8-70.4165.9000111.4P135 E264 L265 M266P135-I268 HydrophobicContact CB-CG2 3.8Å; P135-I268 HydrophobicContact CG-CG2 3.65Å; E264-I268 HydrophobicContact CG-CD1 4.08Å; E264-I268 WeakPolarHBondContact O-CG1 3.5Å; E264-I268 PolarHBondContact O-N 2.97Å; L265-I268 PolarHBondContact O-N 3.36Å; M266-I268 VanDerWaalsContact C-N 3.33Å; M266-I268 PolarHBondContact O-N 3.19Å
269F81.1Confident76.4Confident8 Ų876 Ų764%0.03539%0.385CS..Hα-helixtrans-90.5-17.1-174.7-146.1-92.2000113.9T136 P137 L265 M266 T267 D271 F282 F290T136-F269 HydrophobicContact CG2-CZ 4.49Å; P137-F269 HydrophobicContact CG-CD1 3.98Å; P137-F269 HydrophobicContact CG-CD2 3.82Å; P137-F269 HydrophobicContact CG-CE1 4.02Å; P137-F269 HydrophobicContact CG-CE2 3.88Å; P137-F269 HydrophobicContact CG-CG 3.87Å; P137-F269 HydrophobicContact CG-CZ 3.96Å; L265-F269 PolarHBondContact O-N 2.97Å; M266-F269 PolarHBondContact O-N 3.16Å; M266-F269 VanDerWaalsContact O-N 3.13Å; T267-F269 PolarHBondContact O-N 2.78Å; F269-D271 PolarHBondContact O-N 3.3Å; F269-F282 HydrophobicContact CB-CE1 3.87Å; F269-F282 HydrophobicContact CB-CZ 3.87Å; F269-F282 HydrophobicContact CD1-CE1 4.44Å; F269-F282 HydrophobicContact CD1-CZ 4.44Å; F269-F282 HydrophobicContact CG-CZ 4.41Å; F269-F290 HydrophobicContact CD1-CB 4.26Å; F269-F290 HydrophobicContact CD2-CD2 4.48Å; F269-F290 HydrophobicContact CE1-CB 3.98Å; F269-F290 HydrophobicContact CE2-CB 4.48Å; F269-F290 VanDerWaalsContact CZ-CA 3.48Å; F269-F290 HydrophobicContact CZ-CB 4.11Å
270I81.3Confident76.1Confident20 Ų2074 Ų7410%0.10338%0.375CS..  trans-79.6109.5176.3-68162.5000108.8M266 D272 R275 P280 F282M266-I270 VanDerWaalsContact O-CG1 3.32Å; M266-I270 WeakPolarHBondContact O-CG1 3.49Å; M266-I270 PolarHBondContact O-N 2.98Å; M266-I270 VanDerWaalsContact O-N 3.11Å; I270-D272 HydrophobicContact CG2-CB 4.05Å; I270-D272 PolarHBondContact O-N 3.01Å; I270-R275 HydrophobicContact CG2-CB 4.21Å; I270-P280 HydrophobicContact CD1-CB 3.47Å; I270-P280 VanDerWaalsContact CD1-CB 3.47Å; I270-F282 HydrophobicContact CD1-CD1 4.26Å; I270-F282 HydrophobicContact CD1-CE1 4.34Å; I270-F282 HydrophobicContact CG1-CD1 3.88Å; I270-F282 HydrophobicContact CG1-CE1 3.87Å
271D58.7Low75.9Confident87 Ų8773.8 Ų73.847%0.46537%0.371SS..  trans-71.715-178.4-168.428.5000114F269F269-D271 PolarHBondContact O-N 3.3Å
272D62.2Low75.6Confident52 Ų5270 Ų7028%0.27835%0.353SS..  trans-121.7102.1-172.2-170.2-9.2000111.3I270 M274 R275I270-D272 HydrophobicContact CG2-CB 4.05Å; I270-D272 PolarHBondContact O-N 3.01Å; D272-M274 PolarHBondContact O-N 3.33Å; D272-M274 VanDerWaalsContact O-N 3.08Å; D272-M274 WeakPolarHBondContact OD1-CA 3.34Å; D272-M274 WeakPolarHBondContact OD1-CB 3.13Å; D272-M274 PolarHBondContact OD1-N 3.43Å; D272-R275 HydrophobicContact CB-CB 3.99Å; D272-R275 HydrophobicContact CB-CG 4.22Å; D272-R275 VanDerWaalsContact CB-NE 3.32Å; D272-R275 PolarHBondContact O-N 2.76Å; D272-R275 VanDerWaalsContact O-N 3.12Å; D272-R275 PolarHBondContact OD1-N 3.13Å; D272-R275 VanDerWaalsContact OD2-CG 3.26Å; D272-R275 WeakPolarHBondContact OD2-CG 3.41Å; D272-R275 IonicContact OD2-CZ 3.56Å; D272-R275 IonicContact OD2-NE 3.88Å; D272-R275 PolarHBondContact OD2-NE 2.89Å; D272-R275 IonicContact OD2-NH2 2.94Å
273T53.3Low75.2Confident110 Ų11073 Ų7368%0.67537%0.372SS*.THydrogen-bonded Turntrans-59.5-17.1174.350.40000113.4
274M48.3Very low74.7Confident168 Ų16869.9 Ų69.983%0.82836%0.36SS*.THydrogen-bonded Turntrans-93-18.7179-53.4-66.6-73.500113.4D272 K276D272-M274 PolarHBondContact O-N 3.33Å; D272-M274 VanDerWaalsContact O-N 3.08Å; D272-M274 WeakPolarHBondContact OD1-CA 3.34Å; D272-M274 WeakPolarHBondContact OD1-CB 3.13Å; D272-M274 PolarHBondContact OD1-N 3.43Å; M274-K276 VanDerWaalsContact C-N 3.32Å; M274-K276 PolarHBondContact O-N 3.38Å
275R63.1Low74.2Confident78 Ų7865.2 Ų65.229%0.29434%0.341SS..  trans-90.420.1175.3-80-175.4-72.6149.62113.6I270 D272 T277 E286I270-R275 HydrophobicContact CG2-CB 4.21Å; D272-R275 HydrophobicContact CB-CB 3.99Å; D272-R275 HydrophobicContact CB-CG 4.22Å; D272-R275 VanDerWaalsContact CB-NE 3.32Å; D272-R275 PolarHBondContact O-N 2.76Å; D272-R275 VanDerWaalsContact O-N 3.12Å; D272-R275 PolarHBondContact OD1-N 3.13Å; D272-R275 VanDerWaalsContact OD2-CG 3.26Å; D272-R275 WeakPolarHBondContact OD2-CG 3.41Å; D272-R275 IonicContact OD2-CZ 3.56Å; D272-R275 IonicContact OD2-NE 3.88Å; D272-R275 PolarHBondContact OD2-NE 2.89Å; D272-R275 IonicContact OD2-NH2 2.94Å; R275-T277 PolarHBondContact O-N 3.26Å; R275-E286 IonicContact CZ-OE1 2.68Å; R275-E286 IonicContact NH1-OE1 2.89Å; R275-E286 PolarHBondContact NH1-OE1 3.2Å; R275-E286 IonicContact NH1-OE2 2.78Å; R275-E286 PolarHBondContact NH1-OE2 3.28Å; R275-E286 IonicContact NH2-OE1 3.6Å; R275-E286 PolarHBondContact NH2-OE1 2.93Å
276K57.2Low74.1Confident160 Ų16065 Ų6570%0.69634%0.339SS*.  trans-68.176.9173.7-69.8-173.8179.8-175.90111.1M274M274-K276 VanDerWaalsContact C-N 3.32Å; M274-K276 PolarHBondContact O-N 3.38Å
277T63Low74Confident81 Ų8165.1 Ų65.150%0.49734%0.34SS..  trans-94.2160.2172.157.40000109.7R275 D279R275-T277 PolarHBondContact O-N 3.26Å; T277-D279 PolarHBondContact O-N 3.11Å; T277-D279 PolarHBondContact OG1-O 2.88Å
278N65.8Low73.9Confident135 Ų13562.3 Ų62.372%0.72232%0.323SS*.SBendtrans-66.4-24.4172.8-76.8-22.5000112.1R263R263-N278 WeakPolarHBondContact CD-O 3.43Å; R263-N278 PolarHBondContact NE-O 3.36Å; R263-N278 PolarHBondContact NH2-O 3.34Å; R263-N278 VanDerWaalsContact NH2-O 3.13Å
279D79.1Confident74.2Confident100 Ų10059 Ų5954%0.53531%0.307SS..SBendtrans-121.294.5177-64.9-38.6000108.5R263 T277R263-D279 IonicContact CZ-OD1 3.04Å; R263-D279 IonicContact NH2-OD1 3.93Å; R263-D279 PolarHBondContact NH2-OD1 3.24Å; T277-D279 PolarHBondContact O-N 3.11Å; T277-D279 PolarHBondContact OG1-O 2.88Å
280P85.4Confident74.7Confident4 Ų458.8 Ų58.83%0.02631%0.306CS..  trans-69.1148.7179.627.4-33.8000111L240 R263 M266 I270L240-P280 HydrophobicContact CD1-CG 4.36Å; R263-P280 HydrophobicContact CG-CG 3.98Å; M266-P280 HydrophobicContact CB-CB 4.02Å; M266-P280 HydrophobicContact CB-CG 3.75Å; M266-P280 HydrophobicContact CE-CB 4.43Å; M266-P280 VanDerWaalsContact CE-O 3.31Å; M266-P280 WeakPolarHBondContact CE-O 3.44Å; M266-P280 HydrophobicContact SD-CG 4.25Å; I270-P280 HydrophobicContact CD1-CB 3.47Å; I270-P280 VanDerWaalsContact CD1-CB 3.47Å
281E86.1Confident75.2Confident96 Ų9657.8 Ų57.845%0.44930%0.301SS..EExtended strand (participates in β ladder)trans-129.6140.4174.663-175.5-173.700109.6A237 V238A237-E281 HydrophobicContact CB-CB 4.44Å; V238-E281 WeakPolarHBondContact O-CA 3.33Å
282F86.1Confident76.9Confident0 Ų054.3 Ų54.30%028%0.282CS..EExtended strand (participates in β ladder)trans-93.1137.3169.8-70.6-30.9000110A237 V238 F243 M266 F269 I270 E286 F287 F290A237-F282 CarbonylContact C-O 3.43Å; A237-F282 WeakPolarHBondContact CA-O 3.48Å; V238-F282 HydrophobicContact CB-CB 4.2Å; V238-F282 PolarHBondContact N-O 3.3Å; V238-F282 PolarHBondContact O-N 3.44Å; F243-F282 HydrophobicContact CD1-CE2 4.47Å; F243-F282 HydrophobicContact CD2-CD2 4.44Å; F243-F282 HydrophobicContact CD2-CE2 4.31Å; F243-F282 HydrophobicContact CE1-CE2 4.17Å; F243-F282 HydrophobicContact CE2-CD2 4.5Å; F243-F282 HydrophobicContact CE2-CE2 4.02Å; F243-F282 AromaticContact CZ-CE2 3.94Å; F243-F282 HydrophobicContact CZ-CE2 3.94Å; M266-F282 HydrophobicContact CB-CE1 4.01Å; M266-F282 HydrophobicContact CB-CZ 3.96Å; M266-F282 HydrophobicContact CE-CD1 4.13Å; M266-F282 HydrophobicContact CE-CD2 4.03Å; M266-F282 HydrophobicContact CE-CE1 4.42Å; M266-F282 HydrophobicContact CE-CE2 4.34Å; M266-F282 HydrophobicContact CE-CG 3.94Å; M266-F282 HydrophobicContact CG-CE1 4.19Å; M266-F282 HydrophobicContact CG-CE2 3.95Å; M266-F282 HydrophobicContact CG-CZ 3.76Å; M266-F282 WeakPolarHBondContact O-CE1 3.24Å; F269-F282 HydrophobicContact CB-CE1 3.87Å; F269-F282 HydrophobicContact CB-CZ 3.87Å; F269-F282 HydrophobicContact CD1-CE1 4.44Å; F269-F282 HydrophobicContact CD1-CZ 4.44Å; F269-F282 HydrophobicContact CG-CZ 4.41Å; I270-F282 HydrophobicContact CD1-CD1 4.26Å; I270-F282 HydrophobicContact CD1-CE1 4.34Å; I270-F282 HydrophobicContact CG1-CD1 3.88Å; I270-F282 HydrophobicContact CG1-CE1 3.87Å; F282-E286 HydrophobicContact CB-CB 4.09Å; F282-E286 HydrophobicContact CD1-CB 4.06Å; F282-E286 HydrophobicContact CG-CB 4.24Å; F282-F287 HydrophobicContact CB-CB 4.26Å; F282-F287 HydrophobicContact CD2-CB 4.3Å; F282-F287 HydrophobicContact CD2-CD2 4.42Å; F282-F290 HydrophobicContact CE2-CB 4.43Å
283T82.8Confident78.4Confident64 Ų6451.9 Ų51.939%0.39327%0.269SS..EExtended strand (participates in β ladder)trans-63.5157.7154.562.60000109.6S285 E286 F287T283-S285 PolarHBondContact O-N 2.98Å; T283-E286 WeakPolarHBondContact CB-OE2 3.29Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.17Å; T283-E286 PolarHBondContact N-OE2 2.99Å; T283-E286 PolarHBondContact O-N 3.46Å; T283-E286 VanDerWaalsContact O-N 3.11Å; T283-E286 WeakPolarHBondContact OG1-CB 3.28Å; T283-E286 VanDerWaalsContact OG1-CD 3.25Å; T283-E286 VanDerWaalsContact OG1-CG 3.24Å; T283-E286 WeakPolarHBondContact OG1-CG 3.3Å; T283-E286 PolarHBondContact OG1-N 3.29Å; T283-E286 PolarHBondContact OG1-OE2 3.25Å; T283-F287 PolarHBondContact O-N 3.03Å
284V78.9Confident80.2Confident5 Ų550 Ų503%0.0325%0.252CS..Hα-helixtrans-57.6-36176.7-175.10000111.6F209 L215 L227 P233 S236 F287 L288F209-V284 HydrophobicContact CE2-CB 3.99Å; F209-V284 HydrophobicContact CE2-CG1 3.79Å; F209-V284 HydrophobicContact CZ-CB 4.13Å; F209-V284 HydrophobicContact CZ-CG1 3.99Å; L215-V284 HydrophobicContact CD1-CG1 4.2Å; L215-V284 HydrophobicContact CD2-CG1 3.49Å; L215-V284 VanDerWaalsContact CD2-CG1 3.49Å; L215-V284 HydrophobicContact CG-CG1 4.5Å; L227-V284 HydrophobicContact CD2-CG1 3.83Å; L227-V284 HydrophobicContact CD2-CG2 4.25Å; P233-V284 VanDerWaalsContact O-CG2 3.25Å; P233-V284 WeakPolarHBondContact O-CG2 3.41Å; S236-V284 WeakPolarHBondContact O-CG2 3.31Å; V284-F287 PolarHBondContact O-N 3.2Å; V284-L288 HydrophobicContact CG1-CG 4.49Å; V284-L288 WeakPolarHBondContact O-CG 3.22Å; V284-L288 PolarHBondContact O-N 3.39Å
285S79.8Confident82.3Confident26 Ų2644.4 Ų44.418%0.18222%0.223CC..Hα-helixtrans-66.8-39.6177-172.70000113.1T283 S289T283-S285 PolarHBondContact O-N 2.98Å; S285-S289 WeakPolarHBondContact O-CB 3.4Å; S285-S289 PolarHBondContact O-N 3.45Å; S285-S289 PolarHBondContact O-OG 3.36Å
286E85.8Confident83.9Confident26 Ų2640.7 Ų40.712%0.12121%0.21CC..Hα-helixtrans-64.8-43.2173.6-74.4161.1156.900110.9R275 F282 T283 S289 F290R275-E286 IonicContact CZ-OE1 2.68Å; R275-E286 IonicContact NH1-OE1 2.89Å; R275-E286 PolarHBondContact NH1-OE1 3.2Å; R275-E286 IonicContact NH1-OE2 2.78Å; R275-E286 PolarHBondContact NH1-OE2 3.28Å; R275-E286 IonicContact NH2-OE1 3.6Å; R275-E286 PolarHBondContact NH2-OE1 2.93Å; F282-E286 HydrophobicContact CB-CB 4.09Å; F282-E286 HydrophobicContact CD1-CB 4.06Å; F282-E286 HydrophobicContact CG-CB 4.24Å; T283-E286 WeakPolarHBondContact CB-OE2 3.29Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.17Å; T283-E286 PolarHBondContact N-OE2 2.99Å; T283-E286 PolarHBondContact O-N 3.46Å; T283-E286 VanDerWaalsContact O-N 3.11Å; T283-E286 WeakPolarHBondContact OG1-CB 3.28Å; T283-E286 VanDerWaalsContact OG1-CD 3.25Å; T283-E286 VanDerWaalsContact OG1-CG 3.24Å; T283-E286 WeakPolarHBondContact OG1-CG 3.3Å; T283-E286 PolarHBondContact OG1-N 3.29Å; T283-E286 PolarHBondContact OG1-OE2 3.25Å; E286-S289 PolarHBondContact O-N 3.41Å; E286-F290 PolarHBondContact O-N 2.98Å
287F86.6Confident85.7Confident3 Ų333.8 Ų33.81%0.01318%0.181CC..Hα-helixtrans-61.6-46.9175.4175.7-108.1000112.3I226 V238 F243 F246 F282 T283 V284 S289 F290 L291I226-F287 HydrophobicContact CD1-CZ 4.33Å; I226-F287 HydrophobicContact CG2-CE1 4.31Å; I226-F287 HydrophobicContact CG2-CZ 4.43Å; V238-F287 HydrophobicContact CG2-CB 4.07Å; V238-F287 HydrophobicContact CG2-CG 4.18Å; F243-F287 HydrophobicContact CD2-CD2 4.11Å; F243-F287 HydrophobicContact CD2-CE2 4Å; F243-F287 HydrophobicContact CE2-CD2 4.13Å; F243-F287 HydrophobicContact CE2-CE2 4.01Å; F246-F287 AromaticContact CD1-CE2 3.92Å; F246-F287 HydrophobicContact CD1-CE2 3.92Å; F246-F287 HydrophobicContact CD1-CZ 4.27Å; F246-F287 HydrophobicContact CD2-CZ 4.32Å; F246-F287 AromaticContact CE1-CE2 3.86Å; F246-F287 HydrophobicContact CE1-CE2 3.86Å; F246-F287 HydrophobicContact CE1-CZ 4.05Å; F246-F287 HydrophobicContact CE2-CZ 4.11Å; F246-F287 HydrophobicContact CG-CE2 4.36Å; F246-F287 HydrophobicContact CG-CZ 4.4Å; F246-F287 HydrophobicContact CZ-CE2 4.26Å; F246-F287 AromaticContact CZ-CZ 3.97Å; F246-F287 HydrophobicContact CZ-CZ 3.97Å; F282-F287 HydrophobicContact CB-CB 4.26Å; F282-F287 HydrophobicContact CD2-CB 4.3Å; F282-F287 HydrophobicContact CD2-CD2 4.42Å; T283-F287 PolarHBondContact O-N 3.03Å; V284-F287 PolarHBondContact O-N 3.2Å; F287-S289 VanDerWaalsContact C-N 3.26Å; F287-S289 PolarHBondContact O-N 2.87Å; F287-F290 WeakPolarHBondContact O-CB 3.44Å; F287-F290 PolarHBondContact O-N 3.48Å; F287-L291 HydrophobicContact CD1-CD1 4.45Å; F287-L291 HydrophobicContact CE1-CD1 3.94Å; F287-L291 HydrophobicContact CE1-CG 4.33Å; F287-L291 HydrophobicContact CE2-CD2 4.37Å; F287-L291 HydrophobicContact CZ-CD1 4.27Å; F287-L291 HydrophobicContact CZ-CD2 4.08Å; F287-L291 HydrophobicContact CZ-CG 4.3Å; F287-L291 WeakPolarHBondContact O-CG 3.38Å; F287-L291 PolarHBondContact O-N 2.85Å
288L86.1Confident87.3Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-61.1-37.9174.9-71.9-178.8000111.5F209 I214 L215 V284 L291 F292F209-L288 HydrophobicContact CD2-CD1 3.89Å; F209-L288 HydrophobicContact CE2-CD1 3.81Å; I214-L288 HydrophobicContact CG2-CD2 3.89Å; L215-L288 HydrophobicContact CD2-CD1 4.1Å; L215-L288 HydrophobicContact CD2-CD2 4.22Å; L215-L288 HydrophobicContact CD2-CG 4.39Å; L215-L288 HydrophobicContact CG-CD1 4.39Å; V284-L288 HydrophobicContact CG1-CG 4.49Å; V284-L288 WeakPolarHBondContact O-CG 3.22Å; V284-L288 PolarHBondContact O-N 3.39Å; L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.5Å; L288-L291 PolarHBondContact O-N 3.4Å; L288-F292 WeakPolarHBondContact O-CD2 3.44Å
289S88.7Confident88.7Confident16 Ų1624.7 Ų24.711%0.11213%0.128CC..Hα-helixtrans-67.7-36176.6-61.60000112.3S285 E286 F287 L291 F292 S293 R1062S285-S289 WeakPolarHBondContact O-CB 3.4Å; S285-S289 PolarHBondContact O-N 3.45Å; S285-S289 PolarHBondContact O-OG 3.36Å; E286-S289 PolarHBondContact O-N 3.41Å; F287-S289 VanDerWaalsContact C-N 3.26Å; F287-S289 PolarHBondContact O-N 2.87Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 3.29Å; S289-F292 PolarHBondContact O-N 3.16Å; S289-S293 PolarHBondContact O-N 3.38Å; S289-R1062 PolarHBondContact OG-NH1 3.4Å
290F91.4Very high89.4Confident3 Ų321.8 Ų21.81%0.01311%0.112CC..Hα-helixtrans-60-40.1170.4167.8-97000111.8F243 F246 L247 L265 F269 F282 E286 F287 F292 S293 E295 N296F243-F290 AromaticContact CE2-CD1 3.81Å; F243-F290 HydrophobicContact CE2-CD1 3.81Å; F243-F290 AromaticContact CE2-CE1 3.66Å; F243-F290 HydrophobicContact CE2-CE1 3.66Å; F243-F290 HydrophobicContact CE2-CZ 4.26Å; F243-F290 AromaticContact CZ-CD1 3.94Å; F243-F290 HydrophobicContact CZ-CD1 3.94Å; F243-F290 HydrophobicContact CZ-CD2 4.46Å; F243-F290 AromaticContact CZ-CE1 3.59Å; F243-F290 HydrophobicContact CZ-CE1 3.59Å; F243-F290 HydrophobicContact CZ-CE2 4.15Å; F243-F290 HydrophobicContact CZ-CG 4.37Å; F243-F290 AromaticContact CZ-CZ 3.7Å; F243-F290 HydrophobicContact CZ-CZ 3.7Å; F246-F290 HydrophobicContact CE1-CE1 4.43Å; L247-F290 HydrophobicContact CD2-CZ 4.48Å; L265-F290 HydrophobicContact CD1-CE2 4.38Å; L265-F290 HydrophobicContact CD2-CE2 3.96Å; L265-F290 HydrophobicContact CD2-CZ 4.23Å; L265-F290 HydrophobicContact CG-CE2 4.38Å; F269-F290 HydrophobicContact CD1-CB 4.26Å; F269-F290 HydrophobicContact CD2-CD2 4.48Å; F269-F290 HydrophobicContact CE1-CB 3.98Å; F269-F290 HydrophobicContact CE2-CB 4.48Å; F269-F290 VanDerWaalsContact CZ-CA 3.48Å; F269-F290 HydrophobicContact CZ-CB 4.11Å; F282-F290 HydrophobicContact CE2-CB 4.43Å; E286-F290 PolarHBondContact O-N 2.98Å; F287-F290 WeakPolarHBondContact O-CB 3.44Å; F287-F290 PolarHBondContact O-N 3.48Å; F290-F292 VanDerWaalsContact C-N 3.27Å; F290-F292 PolarHBondContact O-N 2.87Å; F290-S293 WeakPolarHBondContact O-CB 3.32Å; F290-S293 PolarHBondContact O-N 3.36Å; F290-S293 PolarHBondContact O-OG 3.04Å; F290-E295 HydrophobicContact CE2-CB 4.38Å; F290-N296 HydrophobicContact CE1-CB 4.01Å; F290-N296 HydrophobicContact CE2-CB 4.15Å; F290-N296 HydrophobicContact CZ-CB 3.8Å; F290-N296 WeakPolarHBondContact O-CB 3.5Å
291L91.6Very high89.6Confident0 Ų028.3 Ų28.30%014%0.142CC..Hα-helixtrans-60-34.5-178.9-68.4178.3000113.7F218 F246 F287 L288 S289 N296 S1153 L1170F218-L291 HydrophobicContact CE1-CD1 4.25Å; F218-L291 HydrophobicContact CE2-CD1 3.81Å; F218-L291 HydrophobicContact CZ-CD1 3.42Å; F218-L291 VanDerWaalsContact CZ-CD1 3.42Å; F246-L291 HydrophobicContact CE1-CD2 4.11Å; F246-L291 HydrophobicContact CZ-CD2 3.69Å; F287-L291 HydrophobicContact CD1-CD1 4.45Å; F287-L291 HydrophobicContact CE1-CD1 3.94Å; F287-L291 HydrophobicContact CE1-CG 4.33Å; F287-L291 HydrophobicContact CE2-CD2 4.37Å; F287-L291 HydrophobicContact CZ-CD1 4.27Å; F287-L291 HydrophobicContact CZ-CD2 4.08Å; F287-L291 HydrophobicContact CZ-CG 4.3Å; F287-L291 WeakPolarHBondContact O-CG 3.38Å; F287-L291 PolarHBondContact O-N 2.85Å; L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.5Å; L288-L291 PolarHBondContact O-N 3.4Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 3.29Å; L291-N296 PolarHBondContact O-ND2 3.35Å; L291-N296 VanDerWaalsContact O-ND2 3.07Å; L291-S1153 WeakPolarHBondContact O-CB 3.23Å; L291-S1153 PolarHBondContact O-N 3.24Å; L291-L1170 HydrophobicContact CB-CD1 3.92Å; L291-L1170 HydrophobicContact CB-CD2 4.37Å; L291-L1170 HydrophobicContact CD1-CD2 4.33Å
292F93.3Very high89.7Confident13 Ų1329.6 Ų29.66%0.05715%0.147CC..Hα-helixtrans-88.9-6.7175.7-72.6-91.8000113.7I214 L288 S289 F290 A1060 R1062 S1153 A1168 L1170I214-F292 HydrophobicContact CD1-CE2 4.42Å; I214-F292 HydrophobicContact CD1-CZ 4.41Å; L288-F292 WeakPolarHBondContact O-CD2 3.44Å; S289-F292 PolarHBondContact O-N 3.16Å; F290-F292 VanDerWaalsContact C-N 3.27Å; F290-F292 PolarHBondContact O-N 2.87Å; F292-A1060 HydrophobicContact CE1-CB 4.2Å; F292-A1060 HydrophobicContact CZ-CB 3.67Å; F292-R1062 HydrophobicContact CD1-CB 4.13Å; F292-R1062 HydrophobicContact CD1-CG 3.72Å; F292-R1062 HydrophobicContact CD2-CG 4.3Å; F292-R1062 HydrophobicContact CE1-CB 4.39Å; F292-R1062 HydrophobicContact CE1-CG 3.73Å; F292-R1062 HydrophobicContact CE2-CG 4.31Å; F292-R1062 HydrophobicContact CG-CG 4.01Å; F292-R1062 HydrophobicContact CZ-CG 4.01Å; F292-S1153 VanDerWaalsContact C-OG 3.26Å; F292-S1153 WeakPolarHBondContact O-CB 3.07Å; F292-S1153 PolarHBondContact O-OG 3.05Å; F292-A1168 HydrophobicContact CD1-CB 4.48Å; F292-L1170 HydrophobicContact CD1-CB 3.94Å; F292-L1170 HydrophobicContact CD2-CB 4.5Å; F292-L1170 HydrophobicContact CE1-CB 3.42Å; F292-L1170 VanDerWaalsContact CE1-CB 3.42Å; F292-L1170 HydrophobicContact CE2-CB 4.05Å; F292-L1170 HydrophobicContact CE2-CD2 3.86Å; F292-L1170 HydrophobicContact CG-CB 4.47Å; F292-L1170 HydrophobicContact CZ-CB 3.5Å; F292-L1170 VanDerWaalsContact CZ-CB 3.5Å; F292-L1170 HydrophobicContact CZ-CD2 3.98Å; F292-L1170 HydrophobicContact CZ-CG 4.39Å
293S93.6Very high89.9Confident1 Ų131.7 Ų31.71%0.00716%0.156CC..SBendtrans-70.4157.1-174.677.90000112.9S289 F290 E295 N296 S1153S289-S293 PolarHBondContact O-N 3.38Å; F290-S293 WeakPolarHBondContact O-CB 3.32Å; F290-S293 PolarHBondContact O-N 3.36Å; F290-S293 PolarHBondContact O-OG 3.04Å; S293-E295 WeakPolarHBondContact CB-OE2 3.24Å; S293-E295 PolarHBondContact O-N 3.35Å; S293-E295 PolarHBondContact OG-OE2 3.43Å; S293-N296 PolarHBondContact O-N 3.01Å; S293-N296 VanDerWaalsContact O-N 3.16Å; S293-N296 PolarHBondContact OG-N 2.97Å; S293-S1153 WeakPolarHBondContact O-CB 3.36Å; S293-S1153 PolarHBondContact O-OG 2.6Å
294K91.9Very high90.1Very high72 Ų7231 Ų3131%0.31315%0.154SC..G310 helixtrans-65.1-27.1175.469.7-179.7-179.2179.60111.9L132 A134 T136 N296 S297L132-K294 PolarHBondContact O-NZ 2.89Å; A134-K294 WeakPolarHBondContact O-CE 3.43Å; A134-K294 PolarHBondContact O-NZ 3.28Å; T136-K294 PolarHBondContact OG1-N 2.83Å; K294-N296 PolarHBondContact O-N 2.96Å; K294-S297 WeakPolarHBondContact O-CB 3.42Å; K294-S297 PolarHBondContact O-N 2.88Å
295E92.4Very high90.6Very high49 Ų4936.4 Ų36.423%0.22918%0.182CC..G310 helixtrans-63.8-25.4176.6-63.28217300111.8P135 T136 L265 F290 S293P135-E295 WeakPolarHBondContact CA-OE1 3.38Å; T136-E295 WeakPolarHBondContact CB-OE2 3.44Å; T136-E295 PolarHBondContact N-OE1 3.4Å; T136-E295 PolarHBondContact OG1-OE2 2.81Å; L265-E295 HydrophobicContact CD1-CB 4.36Å; F290-E295 HydrophobicContact CE2-CB 4.38Å; S293-E295 WeakPolarHBondContact CB-OE2 3.24Å; S293-E295 PolarHBondContact O-N 3.35Å; S293-E295 PolarHBondContact OG-OE2 3.43Å
296N95.4Very high91.1Very high1 Ų138.6 Ų38.61%0.00519%0.191CC..G310 helixtrans-100.724.9172.7-169.342.6000113.3Q251 F290 L291 S293 K294 Y1151 R1152 S1153Q251-N296 PolarHBondContact NE2-OD1 3.35Å; F290-N296 HydrophobicContact CE1-CB 4.01Å; F290-N296 HydrophobicContact CE2-CB 4.15Å; F290-N296 HydrophobicContact CZ-CB 3.8Å; F290-N296 WeakPolarHBondContact O-CB 3.5Å; L291-N296 PolarHBondContact O-ND2 3.35Å; L291-N296 VanDerWaalsContact O-ND2 3.07Å; S293-N296 PolarHBondContact O-N 3.01Å; S293-N296 VanDerWaalsContact O-N 3.16Å; S293-N296 PolarHBondContact OG-N 2.97Å; K294-N296 PolarHBondContact O-N 2.96Å; N296-Y1151 PolarHBondContact ND2-O 3.19Å; N296-R1152 PolarHBondContact OD1-NH1 3.09Å; N296-S1153 PolarHBondContact O-N 3.45Å
297S96.2Very high91.2Very high15 Ų1540.5 Ų40.511%0.10520%0.202CC..BIsolated β-bridgetrans-56.1143.7-180-179.80000112.7K294 W299 R1148 S1153K294-S297 WeakPolarHBondContact O-CB 3.42Å; K294-S297 PolarHBondContact O-N 2.88Å; S297-W299 PolarHBondContact O-N 3.39Å; S297-W299 PolarHBondContact OG-N 2.97Å; S297-R1148 PolarHBondContact O-NH1 2.91Å; S297-R1148 VanDerWaalsContact O-NH1 3.16Å; S297-S1153 CarbonylContact C-O 3.59Å; S297-S1153 WeakPolarHBondContact CA-O 3.22Å
298I96.8Very high91.2Very high0 Ų044.9 Ų44.90%023%0.226CC..SBendtrans-60.5-27.5170.5-169.6167.4000112.6F1123 F1142 I1147 R1148 R1152 S1153 V1154 V1171 I1173I298-F1123 HydrophobicContact CD1-CE2 4.11Å; I298-F1123 HydrophobicContact CD1-CZ 4.16Å; I298-F1142 HydrophobicContact CG2-CD1 4.27Å; I298-F1142 HydrophobicContact CG2-CD2 3.98Å; I298-F1142 HydrophobicContact CG2-CE1 3.88Å; I298-F1142 HydrophobicContact CG2-CE2 3.58Å; I298-F1142 HydrophobicContact CG2-CG 4.31Å; I298-F1142 HydrophobicContact CG2-CZ 3.51Å; I298-I1147 HydrophobicContact CD1-CG2 4.01Å; I298-I1147 HydrophobicContact CG1-CG2 3.78Å; I298-R1148 PolarHBondContact O-N 3.37Å; I298-R1152 HydrophobicContact CB-CB 3.83Å; I298-R1152 HydrophobicContact CB-CG 4.34Å; I298-R1152 HydrophobicContact CG1-CB 4.23Å; I298-R1152 HydrophobicContact CG1-CG 4.43Å; I298-S1153 PolarHBondContact N-O 3.47Å; I298-V1154 HydrophobicContact CB-CG2 4.32Å; I298-V1154 HydrophobicContact CD1-CG2 4.13Å; I298-V1154 HydrophobicContact CG2-CG2 4.09Å; I298-V1171 HydrophobicContact CD1-CG2 4.28Å; I298-I1173 HydrophobicContact CD1-CD1 3.92Å; I298-I1173 HydrophobicContact CD1-CG2 4.23Å; I298-I1173 HydrophobicContact CG1-CG2 4.47Å
299W95.8Very high91.1Very high25 Ų2551.5 Ų51.510%0.09526%0.26CS..BIsolated β-bridgetrans-78.3134179.3178-110.3000111.1S297 F303 S304 L1023 F1142 P1143S297-W299 PolarHBondContact O-N 3.39Å; S297-W299 PolarHBondContact OG-N 2.97Å; W299-F303 HydrophobicContact CH2-CB 3.74Å; W299-F303 HydrophobicContact CZ2-CB 3.55Å; W299-S304 PolarHBondContact NE1-OG 2.7Å; W299-L1023 HydrophobicContact CH2-CD2 3.73Å; W299-L1023 HydrophobicContact CH2-CG 4.42Å; W299-L1023 HydrophobicContact CZ3-CD2 4.48Å; W299-F1142 HydrophobicContact CB-CD1 4.01Å; W299-F1142 HydrophobicContact CB-CE1 3.92Å; W299-F1142 HydrophobicContact CD2-CD1 4.46Å; W299-F1142 HydrophobicContact CE3-CD1 4.02Å; W299-F1142 HydrophobicContact CG-CD1 4.5Å; W299-P1143 HydrophobicContact CH2-CG 4.41Å; W299-P1143 HydrophobicContact CZ3-CG 4.19Å
300D93.6Very high91.1Very high38 Ų3853.7 Ų53.720%0.20327%0.271CS..  trans-87.7109.5172.9-168-20.9000110.6K302 F303 G1146 R1148D300-K302 HydrophobicContact CB-CG 4.44Å; D300-K302 PolarHBondContact O-N 3.21Å; D300-K302 WeakPolarHBondContact OD1-CD 3.37Å; D300-K302 VanDerWaalsContact OD1-CG 3.24Å; D300-K302 WeakPolarHBondContact OD1-CG 3.35Å; D300-K302 PolarHBondContact OD1-N 2.8Å; D300-K302 VanDerWaalsContact OD2-CD 3.22Å; D300-K302 WeakPolarHBondContact OD2-CD 3.34Å; D300-K302 WeakPolarHBondContact OD2-CE 3.29Å; D300-K302 IonicContact OD2-NZ 2.62Å; D300-K302 PolarHBondContact OD2-NZ 2.87Å; D300-F303 HydrophobicContact CB-CD2 4.01Å; D300-F303 HydrophobicContact CB-CE2 4.31Å; D300-F303 PolarHBondContact O-N 2.85Å; D300-F303 VanDerWaalsContact O-N 3.09Å; D300-G1146 PolarHBondContact N-O 3.05Å; D300-R1148 HydrophobicContact CB-CG 3.87Å
301E89.6Confident91.3Very high141 Ų14153.5 Ų53.566%0.65927%0.27SS*.G310 helixtrans-58.9-19.7-176.1-66-171.6163.600113.4F303 S304E301-F303 PolarHBondContact O-N 3.02Å; E301-F303 VanDerWaalsContact O-N 3.07Å; E301-S304 WeakPolarHBondContact O-CA 3.5Å; E301-S304 VanDerWaalsContact O-CB 3.26Å; E301-S304 WeakPolarHBondContact O-CB 3.36Å; E301-S304 PolarHBondContact O-N 3.49Å
302K88.3Confident91.4Very high124 Ų12457.6 Ų57.654%0.53929%0.292SS..G310 helixtrans-58.2-25.4174.880.4-169.3178.3-151.60113.4D300 S304D300-K302 HydrophobicContact CB-CG 4.44Å; D300-K302 PolarHBondContact O-N 3.21Å; D300-K302 WeakPolarHBondContact OD1-CD 3.37Å; D300-K302 VanDerWaalsContact OD1-CG 3.24Å; D300-K302 WeakPolarHBondContact OD1-CG 3.35Å; D300-K302 PolarHBondContact OD1-N 2.8Å; D300-K302 VanDerWaalsContact OD2-CD 3.22Å; D300-K302 WeakPolarHBondContact OD2-CD 3.34Å; D300-K302 WeakPolarHBondContact OD2-CE 3.29Å; D300-K302 IonicContact OD2-NZ 2.62Å; D300-K302 PolarHBondContact OD2-NZ 2.87Å; K302-S304 VanDerWaalsContact C-N 3.34Å
303F89.3Confident91.5Very high44 Ų4458.9 Ų58.919%0.19330%0.299CS..G310 helixtrans-86-9.4177.3-68.2-72.2000113.1W299 D300 E301 D305 L1023 N1024 K1145W299-F303 HydrophobicContact CH2-CB 3.74Å; W299-F303 HydrophobicContact CZ2-CB 3.55Å; D300-F303 HydrophobicContact CB-CD2 4.01Å; D300-F303 HydrophobicContact CB-CE2 4.31Å; D300-F303 PolarHBondContact O-N 2.85Å; D300-F303 VanDerWaalsContact O-N 3.09Å; E301-F303 PolarHBondContact O-N 3.02Å; E301-F303 VanDerWaalsContact O-N 3.07Å; F303-D305 VanDerWaalsContact C-N 3.25Å; F303-L1023 HydrophobicContact CB-CD2 4.04Å; F303-L1023 HydrophobicContact CD1-CD2 4.1Å; F303-L1023 HydrophobicContact CG-CD2 4.2Å; F303-L1023 CarbonylContact O-C 3.58Å; F303-N1024 PolarHBondContact O-N 3.47Å; F303-K1145 HydrophobicContact CE1-CD 4.39Å; F303-K1145 HydrophobicContact CE1-CG 4.14Å; F303-K1145 VanDerWaalsContact CE2-O 3.27Å; F303-K1145 WeakPolarHBondContact CE2-O 3.27Å; F303-K1145 HydrophobicContact CZ-CG 3.95Å; F303-K1145 WeakPolarHBondContact CZ-O 3.16Å
304S87.9Confident91.6Very high50 Ų5059.3 Ų59.335%0.3530%0.302SS..G310 helixtrans-81.4-4.7169.3-650000112.8W299 E301 K302 G1025W299-S304 PolarHBondContact NE1-OG 2.7Å; E301-S304 WeakPolarHBondContact O-CA 3.5Å; E301-S304 VanDerWaalsContact O-CB 3.26Å; E301-S304 WeakPolarHBondContact O-CB 3.36Å; E301-S304 PolarHBondContact O-N 3.49Å; K302-S304 VanDerWaalsContact C-N 3.34Å; S304-G1025 WeakPolarHBondContact O-CA 3.37Å
305D89.2Confident91.8Very high117 Ų11756 Ų5663%0.62629%0.288SS*.SBendtrans-93.7151.5171.2-68.4-38.6000111.9F303F303-D305 VanDerWaalsContact C-N 3.25Å
306I89.6Confident92Very high72 Ų7253.8 Ų53.837%0.36928%0.278SS..  trans-79.7122.1176.8-63166.7000109.4N308 M311 F395 N1024I306-N308 PolarHBondContact O-N 2.95Å; I306-M311 HydrophobicContact CG2-CG 4.43Å; I306-F395 HydrophobicContact CD1-CE2 4.19Å; I306-F395 HydrophobicContact CG2-CE2 4.08Å; I306-F395 HydrophobicContact CG2-CZ 4.09Å; I306-N1024 WeakPolarHBondContact CA-OD1 3.48Å
307N87.9Confident92.1Very high67 Ų6755.2 Ų55.236%0.35828%0.284SS..  trans-86.199.4169.7-174.9-0.1000110.4L309 D310 N1024N307-L309 PolarHBondContact O-N 3.01Å; N307-L309 VanDerWaalsContact O-N 3.13Å; N307-L309 PolarHBondContact OD1-N 3.3Å; N307-D310 HydrophobicContact CB-CB 4.3Å; N307-D310 PolarHBondContact ND2-OD1 3.04Å; N307-D310 PolarHBondContact ND2-OD2 3.46Å; N307-D310 PolarHBondContact O-N 2.89Å; N307-N1024 PolarHBondContact N-OD1 3.03Å
308N85.8Confident92.2Very high95 Ų9554.5 Ų54.551%0.50828%0.279SS..THydrogen-bonded Turntrans-60.4-24.8-177.9-71-56.9000114.2I306 D310 N312I306-N308 PolarHBondContact O-N 2.95Å; N308-D310 VanDerWaalsContact C-N 3.35Å; N308-N312 PolarHBondContact O-ND2 2.85Å; N308-N312 VanDerWaalsContact O-ND2 3.08Å
309L85.9Confident92.2Very high138 Ų13854.6 Ų54.672%0.72328%0.28SS*.THydrogen-bonded Turntrans-69.3-37.2177.1-66.9173.2000111.3N307 M311N307-L309 PolarHBondContact O-N 3.01Å; N307-L309 VanDerWaalsContact O-N 3.13Å; N307-L309 PolarHBondContact OD1-N 3.3Å; L309-M311 PolarHBondContact O-N 3.48Å
310D87.8Confident92.3Very high62 Ų6253.5 Ų53.533%0.33228%0.275SS..G310 helixtrans-70.9-16.7-177.9-69.6-18.9000112.3N307 N308 N312 Y318 L1031N307-D310 HydrophobicContact CB-CB 4.3Å; N307-D310 PolarHBondContact ND2-OD1 3.04Å; N307-D310 PolarHBondContact ND2-OD2 3.46Å; N307-D310 PolarHBondContact O-N 2.89Å; N308-D310 VanDerWaalsContact C-N 3.35Å; D310-N312 PolarHBondContact O-N 3.46Å; D310-Y318 VanDerWaalsContact O-CE1 3.27Å; D310-Y318 WeakPolarHBondContact O-CE1 3.22Å; D310-Y318 VanDerWaalsContact O-CZ 3.25Å; D310-Y318 PolarHBondContact O-OH 3.43Å; D310-L1031 HydrophobicContact CB-CB 4.34Å; D310-L1031 HydrophobicContact CB-CD2 4Å
311M94.9Very high92.6Very high0 Ų051.8 Ų51.80%027%0.266CS..G310 helixtrans-89.17.2-174.7-61.9-56.5-76.200114.9I306 L309 Y318 F395 P440 T441 N1024 Y1029I306-M311 HydrophobicContact CG2-CG 4.43Å; L309-M311 PolarHBondContact O-N 3.48Å; M311-Y318 VanDerWaalsContact CA-OH 3.22Å; M311-Y318 WeakPolarHBondContact CA-OH 3.35Å; M311-Y318 HydrophobicContact SD-CE1 3.9Å; M311-F395 HydrophobicContact CB-CE1 3.94Å; M311-F395 HydrophobicContact CB-CZ 4.1Å; M311-F395 HydrophobicContact CE-CD1 3.4Å; M311-F395 VanDerWaalsContact CE-CD1 3.4Å; M311-F395 HydrophobicContact CE-CD2 3.7Å; M311-F395 HydrophobicContact CE-CE1 3.31Å; M311-F395 HydrophobicContact CE-CE2 3.58Å; M311-F395 HydrophobicContact CE-CG 3.59Å; M311-F395 HydrophobicContact CE-CZ 3.39Å; M311-F395 HydrophobicContact CG-CE1 3.94Å; M311-F395 HydrophobicContact CG-CE2 4.41Å; M311-F395 HydrophobicContact CG-CZ 3.64Å; M311-F395 HydrophobicContact SD-CE1 4.47Å; M311-F395 HydrophobicContact SD-CZ 4.27Å; M311-P440 HydrophobicContact CE-CB 3.52Å; M311-P440 HydrophobicContact CE-CG 4.05Å; M311-P440 WeakPolarHBondContact O-CD 3.46Å; M311-T441 WeakPolarHBondContact CB-OG1 3.4Å; M311-T441 PolarHBondContact O-N 3.34Å; M311-T441 PolarHBondContact O-OG1 2.83Å; M311-N1024 PolarHBondContact SD-ND2 3.31Å; M311-Y1029 HydrophobicContact CE-CD2 4.41Å; M311-Y1029 HydrophobicContact CE-CG 4.13Å
312N95.2Very high93Very high85 Ų8545 Ų4546%0.45524%0.235SC..G310 helixtrans-103.52.2-175.9-61.2-44.7000115.1N308 D310 Y318 S439 T441N308-N312 PolarHBondContact O-ND2 2.85Å; N308-N312 VanDerWaalsContact O-ND2 3.08Å; D310-N312 PolarHBondContact O-N 3.46Å; N312-Y318 PolarHBondContact N-OH 2.84Å; N312-S439 VanDerWaalsContact C-CB 3.48Å; N312-S439 WeakPolarHBondContact O-CB 3.46Å; N312-T441 VanDerWaalsContact OD1-CB 3.3Å; N312-T441 WeakPolarHBondContact OD1-CB 3.29Å; N312-T441 PolarHBondContact OD1-OG1 3.43Å
313N95.1Very high93.5Very high40 Ų4039.1 Ų39.121%0.21421%0.209CC..SBendtrans-77.9162.5174-75.6-96.4000110.9H317 Y318 S439 P440 L1031 R1037N313-H317 HydrophobicContact CB-CB 3.98Å; N313-Y318 HydrophobicContact CB-CE2 3.87Å; N313-Y318 WeakPolarHBondContact CB-OH 3.33Å; N313-Y318 PolarHBondContact N-OH 3.03Å; N313-Y318 WeakPolarHBondContact O-CE2 3.23Å; N313-S439 WeakPolarHBondContact O-CA 3.42Å; N313-S439 WeakPolarHBondContact O-CB 3.2Å; N313-P440 WeakPolarHBondContact O-CD 3.44Å; N313-L1031 HydrophobicContact CB-CD1 3.8Å; N313-R1037 PolarHBondContact OD1-NH1 3.2Å
314P95.7Very high93.9Very high11 Ų1137.8 Ų37.87%0.07120%0.204CC..  trans-53.9147.4170.4-2835.5000113S316 H317 Y318 Q436 L437P314-S316 PolarHBondContact O-N 3.45Å; P314-H317 WeakPolarHBondContact O-CB 3.26Å; P314-H317 PolarHBondContact O-N 3Å; P314-Y318 VanDerWaalsContact O-CD2 3.31Å; P314-Y318 WeakPolarHBondContact O-CD2 3.17Å; P314-Y318 VanDerWaalsContact O-CE2 3.24Å; P314-Y318 WeakPolarHBondContact O-CE2 3.39Å; P314-Q436 HydrophobicContact CG-CB 4.35Å; P314-Q436 HydrophobicContact CG-CG 4.18Å; P314-Q436 VanDerWaalsContact CG-OE1 3.28Å; P314-L437 WeakPolarHBondContact CA-O 3.42Å; P314-L437 WeakPolarHBondContact CB-O 3.28Å
315L96.6Very high94.3Very high3 Ų335.7 Ų35.72%0.01619%0.188CC..G310 helixtrans-55.9-26.7-179.9-160.763.8000114H317 Y318 I320 I398 L437 P438 P440 L443 I448 L975 Y1029L315-H317 PolarHBondContact O-N 3.02Å; L315-Y318 PolarHBondContact O-N 3.03Å; L315-I320 HydrophobicContact CD1-CD1 4.35Å; L315-I320 HydrophobicContact CG-CD1 4.22Å; L315-I398 HydrophobicContact CD2-CD1 4.5Å; L315-L437 HydrophobicContact CB-CB 3.92Å; L315-L437 HydrophobicContact CB-CD1 4.19Å; L315-P438 WeakPolarHBondContact CB-O 3.4Å; L315-P438 PolarHBondContact N-O 3.03Å; L315-P440 HydrophobicContact CD1-CG 3.96Å; L315-L443 HydrophobicContact CD2-CD1 4.46Å; L315-I448 HydrophobicContact CD2-CD1 4.46Å; L315-L975 HydrophobicContact CD2-CD1 4.19Å; L315-Y1029 HydrophobicContact CD1-CD1 4.29Å; L315-Y1029 HydrophobicContact CD1-CE1 3.52Å
316S96.3Very high94.7Very high2 Ų230.1 Ų30.11%0.01416%0.159CC..G310 helixtrans-70.6-1.4174.454.10000114.7P314 R972 H1001P314-S316 PolarHBondContact O-N 3.45Å; S316-R972 WeakPolarHBondContact CB-O 3.42Å; S316-R972 PolarHBondContact OG-O 2.9Å; S316-H1001 VanDerWaalsContact C-NE2 3.29Å; S316-H1001 VanDerWaalsContact CA-NE2 3.25Å; S316-H1001 WeakPolarHBondContact CA-NE2 3.21Å; S316-H1001 PolarHBondContact O-CD2 3.13Å; S316-H1001 PolarHBondContact O-NE2 2.94Å
317H96.6Very high95.1Very high31 Ų3126.7 Ų26.714%0.14414%0.141CC..G310 helixtrans-101.97.8178.1-68.3-179.8000112.6N313 P314 L315 R972 L1031 Q1032N313-H317 HydrophobicContact CB-CB 3.98Å; P314-H317 WeakPolarHBondContact O-CB 3.26Å; P314-H317 PolarHBondContact O-N 3Å; L315-H317 PolarHBondContact O-N 3.02Å; H317-R972 PolarHBondContact NE2-O 2.81Å; H317-L1031 HydrophobicContact CB-CD1 4.04Å; H317-Q1032 VanDerWaalsContact O-CB 3.24Å; H317-Q1032 WeakPolarHBondContact O-CB 3.04Å; H317-Q1032 VanDerWaalsContact O-CG 3.25Å; H317-Q1032 WeakPolarHBondContact O-CG 3.37Å; H317-Q1032 PolarHBondContact O-N 3.48Å
318Y97.7Very high95.5Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-119.4143.4-176.1-60.5-96.7000111.8D310 M311 N312 N313 P314 L315 P440 H1001 Y1029 V1030 L1031D310-Y318 VanDerWaalsContact O-CE1 3.27Å; D310-Y318 WeakPolarHBondContact O-CE1 3.22Å; D310-Y318 VanDerWaalsContact O-CZ 3.25Å; D310-Y318 PolarHBondContact O-OH 3.43Å; M311-Y318 VanDerWaalsContact CA-OH 3.22Å; M311-Y318 WeakPolarHBondContact CA-OH 3.35Å; M311-Y318 HydrophobicContact SD-CE1 3.9Å; N312-Y318 PolarHBondContact N-OH 2.84Å; N313-Y318 HydrophobicContact CB-CE2 3.87Å; N313-Y318 WeakPolarHBondContact CB-OH 3.33Å; N313-Y318 PolarHBondContact N-OH 3.03Å; N313-Y318 WeakPolarHBondContact O-CE2 3.23Å; P314-Y318 VanDerWaalsContact O-CD2 3.31Å; P314-Y318 WeakPolarHBondContact O-CD2 3.17Å; P314-Y318 VanDerWaalsContact O-CE2 3.24Å; P314-Y318 WeakPolarHBondContact O-CE2 3.39Å; L315-Y318 PolarHBondContact O-N 3.03Å; Y318-P440 HydrophobicContact CD1-CG 4.39Å; Y318-P440 HydrophobicContact CD2-CG 3.89Å; Y318-P440 HydrophobicContact CE1-CG 4.13Å; Y318-P440 VanDerWaalsContact CE2-CD 3.45Å; Y318-P440 HydrophobicContact CE2-CG 3.59Å; Y318-P440 HydrophobicContact CG-CG 4.28Å; Y318-H1001 PolarHBondContact O-CD2 2.75Å; Y318-Y1029 HydrophobicContact CG-CD1 4.24Å; Y318-V1030 CarbonylContact C-O 3.49Å; Y318-V1030 VanDerWaalsContact CA-O 3.3Å; Y318-V1030 WeakPolarHBondContact CA-O 3.25Å; Y318-L1031 HydrophobicContact CD1-CB 4.14Å; Y318-L1031 HydrophobicContact CD1-CD1 4.32Å; Y318-L1031 HydrophobicContact CE1-CB 3.89Å; Y318-L1031 HydrophobicContact CE1-CD1 3.86Å; Y318-L1031 HydrophobicContact CE1-CG 4.47Å; Y318-L1031 HydrophobicContact CE2-CD1 4.31Å
319W97.9Very high95.9Very high2 Ų220.3 Ų20.31%0.00811%0.108CC..EExtended strand (participates in β ladder)trans-74.6138.1153.5-58-54.5000108.7W996 C1000 L1020 F1021 V1030 Q1032 P1033 M1036 L1118W319-W996 AromaticContact CD1-CD1 3.61Å; W319-W996 PolarHBondContact NE1-O 3.31Å; W319-C1000 VanDerWaalsContact CD1-O 3.28Å; W319-L1020 HydrophobicContact CB-CD2 4.36Å; W319-L1020 HydrophobicContact CD2-CD2 4.4Å; W319-L1020 HydrophobicContact CE3-CD1 4.02Å; W319-L1020 HydrophobicContact CE3-CD2 4.21Å; W319-L1020 HydrophobicContact CG-CD2 4.49Å; W319-L1020 HydrophobicContact CZ3-CD1 4.16Å; W319-F1021 HydrophobicContact CB-CE1 4.31Å; W319-F1021 HydrophobicContact CB-CZ 4.07Å; W319-F1021 WeakPolarHBondContact O-CE1 3.36Å; W319-V1030 HydrophobicContact CE3-CB 4.12Å; W319-V1030 HydrophobicContact CE3-CG1 3.84Å; W319-V1030 HydrophobicContact CZ3-CG1 4.13Å; W319-V1030 PolarHBondContact N-O 3.5Å; W319-V1030 PolarHBondContact O-N 2.88Å; W319-V1030 VanDerWaalsContact O-N 3.13Å; W319-Q1032 HydrophobicContact CD2-CG 3.99Å; W319-Q1032 HydrophobicContact CG-CG 4.29Å; W319-Q1032 HydrophobicContact CZ2-CB 4.42Å; W319-Q1032 HydrophobicContact CZ2-CG 3.98Å; W319-P1033 HydrophobicContact CH2-CG 3.99Å; W319-M1036 HydrophobicContact CZ2-CE 3.87Å; W319-M1036 HydrophobicContact CZ2-SD 3.84Å; W319-L1118 HydrophobicContact CE3-CD2 4.37Å; W319-L1118 HydrophobicContact CH2-CD1 3.87Å; W319-L1118 HydrophobicContact CH2-CD2 3.34Å; W319-L1118 HydrophobicContact CH2-CG 3.48Å; W319-L1118 VanDerWaalsContact CH2-CG 3.48Å; W319-L1118 HydrophobicContact CZ2-CD1 3.65Å; W319-L1118 HydrophobicContact CZ2-CD2 3.59Å; W319-L1118 HydrophobicContact CZ2-CG 3.79Å; W319-L1118 HydrophobicContact CZ3-CD2 3.78Å; W319-L1118 HydrophobicContact CZ3-CG 4.32Å
320I98.5Very high96.1Very high1 Ų114.9 Ų14.91%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-124.1120.9-173.1-50.8180000108.6L315 S322 R351 I398 H1001 M1002 F1021 Y1029L315-I320 HydrophobicContact CD1-CD1 4.35Å; L315-I320 HydrophobicContact CG-CD1 4.22Å; I320-S322 PolarHBondContact O-N 3.24Å; I320-S322 VanDerWaalsContact O-N 3.17Å; I320-S322 PolarHBondContact O-OG 2.81Å; I320-R351 HydrophobicContact CG2-CB 3.85Å; I320-I398 HydrophobicContact CD1-CD1 4.18Å; I320-H1001 HydrophobicContact CD1-CB 4.31Å; I320-H1001 HydrophobicContact CG1-CB 4.41Å; I320-H1001 PolarHBondContact N-O 3.33Å; I320-M1002 HydrophobicContact CB-CG 4.16Å; I320-M1002 HydrophobicContact CD1-CG 4.33Å; I320-M1002 HydrophobicContact CG2-CG 4.49Å; I320-F1021 VanDerWaalsContact C-CZ 3.4Å; I320-Y1029 HydrophobicContact CB-CE1 4.24Å; I320-Y1029 HydrophobicContact CD1-CE1 3.75Å; I320-Y1029 HydrophobicContact CG1-CD1 3.94Å; I320-Y1029 HydrophobicContact CG1-CE1 3.59Å; I320-Y1029 HydrophobicContact CG2-CD1 4.47Å; I320-Y1029 HydrophobicContact CG2-CE1 3.82Å
321S98.4Very high96Very high2 Ų214.4 Ų14.41%0.0148%0.083CC..  trans-61.2117.4179.8-173.20000110.1C350 R351 C352 Y1007 F1021 G1028S321-C350 PolarHBondContact O-SG 3.43Å; S321-R351 CarbonylContact O-C 3.57Å; S321-R351 PolarHBondContact O-N 3.08Å; S321-C352 PolarHBondContact O-N 2.76Å; S321-Y1007 PolarHBondContact OG-OH 3.21Å; S321-F1021 VanDerWaalsContact CA-CZ 3.44Å; S321-F1021 VanDerWaalsContact N-CE1 3.28Å; S321-G1028 PolarHBondContact N-O 2.9Å
322S98.6Very high95.3Very high0 Ų015 Ų150%09%0.085CC..EExtended strand (participates in β ladder)trans-133135.7-165.4-60.50000112.6I320 C352 M1002 A1004 L1005 Y1007I320-S322 PolarHBondContact O-N 3.24Å; I320-S322 VanDerWaalsContact O-N 3.17Å; I320-S322 PolarHBondContact O-OG 2.81Å; S322-C352 WeakPolarHBondContact CA-O 3.29Å; S322-C352 WeakPolarHBondContact OG-CB 3.29Å; S322-M1002 WeakPolarHBondContact OG-CA 3.44Å; S322-M1002 VanDerWaalsContact OG-CB 3.28Å; S322-M1002 WeakPolarHBondContact OG-CB 3.29Å; S322-M1002 WeakPolarHBondContact OG-CG 3.44Å; S322-A1004 WeakPolarHBondContact O-CA 3.37Å; S322-L1005 PolarHBondContact O-N 3.04Å; S322-L1005 VanDerWaalsContact O-N 3.14Å; S322-Y1007 VanDerWaalsContact O-CE2 3.25Å; S322-Y1007 WeakPolarHBondContact O-CE2 3.37Å
323S98.3Very high94.3Very high0 Ų012 Ų120%07%0.069CC..EExtended strand (participates in β ladder)trans-108.8144177.7171.10000110.7T326 C350 C352 R977 L1005S323-T326 WeakPolarHBondContact CB-OG1 3.47Å; S323-T326 WeakPolarHBondContact OG-CB 3.38Å; S323-T326 PolarHBondContact OG-OG1 2.82Å; S323-C350 PolarHBondContact N-SG 3.2Å; S323-C350 VanDerWaalsContact N-SG 3.44Å; S323-C352 PolarHBondContact N-O 3.31Å; S323-R977 PolarHBondContact O-NH2 3.05Å; S323-L1005 WeakPolarHBondContact CA-O 3.16Å
324H97.6Very high93.5Very high16 Ų1613.5 Ų13.57%0.0748%0.077CC..SBendtrans-106.3140171.4174.3-105.7000109.7T326 E354 P980 A1004 L1005 N1006H324-T326 PolarHBondContact O-N 3.48Å; H324-T326 VanDerWaalsContact O-N 3.16Å; H324-E354 WeakPolarHBondContact CA-OE2 3.43Å; H324-E354 IonicContact CD2-OE2 2.88Å; H324-E354 PolarHBondContact CD2-OE2 2.93Å; H324-E354 IonicContact CG-OE2 3.85Å; H324-E354 IonicContact NE2-OE2 2.87Å; H324-P980 HydrophobicContact CB-CG 4.28Å; H324-P980 VanDerWaalsContact CG-CD 3.41Å; H324-A1004 HydrophobicContact CB-CB 3.97Å; H324-L1005 PolarHBondContact N-O 3.2Å; H324-N1006 PolarHBondContact ND1-OD1 2.75Å
325N96.9Very high93.1Very high5 Ų513.5 Ų13.53%0.0278%0.078CC..SBendtrans40.852.5-177.9-70.2-5.4000112.7Y327 L328 Q332 E354 D356N325-Y327 HydrophobicContact CB-CE1 4.04Å; N325-Y327 PolarHBondContact O-N 3.44Å; N325-L328 HydrophobicContact CB-CD1 3.81Å; N325-L328 HydrophobicContact CB-CG 4.25Å; N325-L328 PolarHBondContact O-N 3.17Å; N325-Q332 PolarHBondContact ND2-OE1 3.17Å; N325-E354 PolarHBondContact N-OE2 3.03Å; N325-E354 PolarHBondContact OD1-OE2 3.03Å; N325-D356 PolarHBondContact OD1-OD2 2.64Å
326T97.9Very high92.9Very high1 Ų117.2 Ų17.21%0.00610%0.095CC..THydrogen-bonded Turntrans-55.4-24.7-167.7-51.40000114.1S323 H324 L328 A341 Y342 C345 V353 E354S323-T326 WeakPolarHBondContact CB-OG1 3.47Å; S323-T326 WeakPolarHBondContact OG-CB 3.38Å; S323-T326 PolarHBondContact OG-OG1 2.82Å; H324-T326 PolarHBondContact O-N 3.48Å; H324-T326 VanDerWaalsContact O-N 3.16Å; T326-L328 VanDerWaalsContact C-N 3.3Å; T326-L328 PolarHBondContact O-N 3.35Å; T326-A341 WeakPolarHBondContact O-CB 3.25Å; T326-Y342 HydrophobicContact CG2-CD1 3.6Å; T326-Y342 HydrophobicContact CG2-CE1 3.89Å; T326-Y342 HydrophobicContact CG2-CG 4.13Å; T326-C345 HydrophobicContact CG2-CB 3.97Å; T326-V353 HydrophobicContact CG2-CB 4.01Å; T326-V353 HydrophobicContact CG2-CG1 3.94Å; T326-E354 PolarHBondContact OG1-N 3.01Å
327Y97.2Very high92.9Very high0 Ų017.1 Ų17.10%09%0.094CC..THydrogen-bonded Turntrans-69.5-22.3179.351.7-88.3000113.6N325 S337 S338 D356 I366 H368N325-Y327 HydrophobicContact CB-CE1 4.04Å; N325-Y327 PolarHBondContact O-N 3.44Å; Y327-S337 CarbonylContact O-C 3.43Å; Y327-S337 VanDerWaalsContact O-CA 3.23Å; Y327-S337 WeakPolarHBondContact O-CA 3.33Å; Y327-S338 PolarHBondContact O-N 3.44Å; Y327-D356 HydrophobicContact CE1-CB 3.71Å; Y327-D356 PolarHBondContact OH-OD2 3.14Å; Y327-I366 HydrophobicContact CD1-CG2 3.65Å; Y327-I366 HydrophobicContact CD2-CG2 4.27Å; Y327-I366 HydrophobicContact CE1-CG2 4.23Å; Y327-I366 HydrophobicContact CG-CG2 3.68Å; Y327-H368 HydrophobicContact CE2-CB 3.97Å; Y327-H368 VanDerWaalsContact CE2-N 3.35Å; Y327-H368 VanDerWaalsContact OH-CA 3.28Å; Y327-H368 WeakPolarHBondContact OH-CA 3.46Å; Y327-H368 WeakPolarHBondContact OH-CB 3.36Å
328L96.1Very high92.8Very high0 Ų016 Ų160%09%0.09CC..BIsolated β-bridgetrans-79.6137-175.4-64.2177.2000112.8N325 T326 Q332 T373N325-L328 HydrophobicContact CB-CD1 3.81Å; N325-L328 HydrophobicContact CB-CG 4.25Å; N325-L328 PolarHBondContact O-N 3.17Å; T326-L328 VanDerWaalsContact C-N 3.3Å; T326-L328 PolarHBondContact O-N 3.35Å; L328-Q332 VanDerWaalsContact CD1-OE1 3.27Å; L328-T373 HydrophobicContact CD2-CG2 3.59Å
329T94.1Very high92.7Very high28 Ų2817.8 Ų17.817%0.17210%0.101CC..SBendtrans-97.1-6.3175.1670000114V103 E336 A341V103-T329 HydrophobicContact CG2-CG2 4.1Å; T329-E336 WeakPolarHBondContact CG2-O 3.21Å; T329-E336 PolarHBondContact N-O 3.25Å; T329-E336 PolarHBondContact OG1-O 2.73Å; T329-E336 VanDerWaalsContact OG1-O 3.07Å; T329-A341 HydrophobicContact CG2-CB 4.26Å
330G91.3Very high92.5Very high24 Ų2420.3 Ų20.325%0.24711%0.113CC..SBendtrans-154.4-132.2-178.300000113.5S335 S987 Q1008G330-S335 VanDerWaalsContact CA-CB 3.46Å; G330-S335 PolarHBondContact N-OG 2.85Å; G330-S987 PolarHBondContact O-OG 2.99Å; G330-Q1008 WeakPolarHBondContact O-CG 3.29Å; G330-Q1008 PolarHBondContact O-NE2 3.11Å
331D84.9Confident92.4Very high51 Ų5120.3 Ų20.327%0.27311%0.113SC..  trans-63.5167.917768.265.9000113.4L333 L334 S335 V985 S987D331-L333 PolarHBondContact O-N 3.41Å; D331-L333 PolarHBondContact OD1-N 3.2Å; D331-L334 PolarHBondContact OD1-N 3.47Å; D331-S335 VanDerWaalsContact O-CB 3.26Å; D331-S335 WeakPolarHBondContact O-CB 3.35Å; D331-S335 PolarHBondContact O-OG 3.26Å; D331-S335 PolarHBondContact OD1-N 2.65Å; D331-V985 WeakPolarHBondContact CB-O 3.46Å; D331-S987 WeakPolarHBondContact CA-OG 3.44Å
332Q81.3Confident92.4Very high12 Ų1220.2 Ų20.26%0.05611%0.113CC..SBendtrans-81.2-5.2-176-59.1-68.3-45.500114.2N325 L328 H368 V985 S987 N1006N325-Q332 PolarHBondContact ND2-OE1 3.17Å; L328-Q332 VanDerWaalsContact CD1-OE1 3.27Å; Q332-H368 PolarHBondContact O-ND1 2.81Å; Q332-V985 PolarHBondContact N-O 3.04Å; Q332-S987 PolarHBondContact NE2-OG 2.79Å; Q332-N1006 PolarHBondContact NE2-OD1 2.87Å
333L73.4Confident92.3Very high22 Ų2220.4 Ų20.412%0.11511%0.113CC..SBendtrans-116.4-42.7-171-72.8179.3000114.9D331 T371 R372 T373 Y488 L833 L836 V985D331-L333 PolarHBondContact O-N 3.41Å; D331-L333 PolarHBondContact OD1-N 3.2Å; L333-T371 HydrophobicContact CD2-CG2 3.81Å; L333-R372 CarbonylContact O-C 3.56Å; L333-R372 WeakPolarHBondContact O-CA 3.34Å; L333-R372 WeakPolarHBondContact O-CB 3.24Å; L333-R372 PolarHBondContact O-N 3.15Å; L333-T373 PolarHBondContact O-N 3.44Å; L333-T373 VanDerWaalsContact O-N 3.12Å; L333-Y488 HydrophobicContact CD1-CD1 4.5Å; L333-Y488 HydrophobicContact CD2-CE1 4.41Å; L333-L833 HydrophobicContact CD1-CD2 4.18Å; L333-L836 HydrophobicContact CD1-CD1 4.38Å; L333-V985 HydrophobicContact CB-CG1 4.37Å; L333-V985 HydrophobicContact CD1-CG1 3.38Å; L333-V985 HydrophobicContact CG-CG1 3.49Å; L333-V985 VanDerWaalsContact CG-CG1 3.49Å
334L78.6Confident92.2Very high72 Ų7221.2 Ų21.238%0.37712%0.117SC..SBendtrans-117.7-20.2-167.5-58.1178.2000112.2D331 R372 C502D331-L334 PolarHBondContact OD1-N 3.47Å; L334-R372 HydrophobicContact CD2-CB 4.03Å; L334-R372 HydrophobicContact CD2-CG 4.37Å; L334-C502 VanDerWaalsContact CD1-SG 3.6Å
335S87.3Confident92.2Very high12 Ų1220.5 Ų20.58%0.08411%0.113CC..SBendtrans-66.2161.5-17281.10000113.9G330 D331 T373G330-S335 VanDerWaalsContact CA-CB 3.46Å; G330-S335 PolarHBondContact N-OG 2.85Å; D331-S335 VanDerWaalsContact O-CB 3.26Å; D331-S335 WeakPolarHBondContact O-CB 3.35Å; D331-S335 PolarHBondContact O-OG 3.26Å; D331-S335 PolarHBondContact OD1-N 2.65Å; S335-T373 VanDerWaalsContact O-CA 3.28Å; S335-T373 WeakPolarHBondContact O-CA 3.31Å; S335-T373 WeakPolarHBondContact O-CB 3.49Å; S335-T373 WeakPolarHBondContact O-CG2 3.41Å
336E93Very high92.2Very high80 Ų8020.2 Ų20.237%0.37411%0.112SC..PPolyproline II helixtrans-74.1135.2177.9-173.4172.4-142.900111K76 T329 T374K76-E336 IonicContact NZ-OE1 2.94Å; K76-E336 PolarHBondContact NZ-OE1 3.4Å; K76-E336 IonicContact NZ-OE2 3.38Å; K76-E336 PolarHBondContact NZ-OE2 3.09Å; T329-E336 WeakPolarHBondContact CG2-O 3.21Å; T329-E336 PolarHBondContact N-O 3.25Å; T329-E336 PolarHBondContact OG1-O 2.73Å; T329-E336 VanDerWaalsContact OG1-O 3.07Å; E336-T374 HydrophobicContact CG-CG2 4.26Å; E336-T374 WeakPolarHBondContact CG-OG1 3.48Å
337S94.9Very high92Very high1 Ų123.4 Ų23.41%0.00712%0.124CC..BIsolated β-bridgetrans-84.4133.3161.9-55.70000109.6Y327 T374 I376Y327-S337 CarbonylContact O-C 3.43Å; Y327-S337 VanDerWaalsContact O-CA 3.23Å; Y327-S337 WeakPolarHBondContact O-CA 3.33Å; S337-T374 WeakPolarHBondContact CB-O 3.34Å; S337-T374 PolarHBondContact N-OG1 3.4Å; S337-T374 PolarHBondContact O-OG1 3.07Å; S337-T374 PolarHBondContact OG-O 3.33Å; S337-I376 WeakPolarHBondContact O-CG2 3.02Å
338S95.1Very high91.8Very high8 Ų826 Ų266%0.05613%0.133CC..  trans-143.8139.6-174.7-1730000113.2Y327 E340 A341Y327-S338 PolarHBondContact O-N 3.44Å; S338-E340 PolarHBondContact O-N 3.36Å; S338-E340 WeakPolarHBondContact OG-CB 3.31Å; S338-E340 PolarHBondContact OG-N 2.88Å; S338-A341 WeakPolarHBondContact O-CB 3.33Å; S338-A341 PolarHBondContact O-N 2.75Å
339T95.1Very high91.8Very high37 Ų3726 Ų2623%0.22713%0.134CC..Hα-helixtrans-60.9-32.1167.649.50000111.5A341 Y342 V343 D380 V381T339-A341 PolarHBondContact O-N 3.21Å; T339-Y342 WeakPolarHBondContact O-CB 3.3Å; T339-Y342 PolarHBondContact O-N 2.82Å; T339-Y342 VanDerWaalsContact O-N 3.16Å; T339-V343 PolarHBondContact O-N 3.31Å; T339-D380 HydrophobicContact CG2-CB 4.13Å; T339-V381 HydrophobicContact CG2-CG2 4.03Å
340E94.5Very high92Very high54 Ų5424.7 Ų24.725%0.25213%0.126SC..Hα-helixtrans-64.7-26178.3-63.9-57.1139.500113R70 S338 Y342 V343 R344R70-E340 IonicContact CZ-OE1 3Å; R70-E340 IonicContact CZ-OE2 3.74Å; R70-E340 VanDerWaalsContact CZ-OE2 3.32Å; R70-E340 VanDerWaalsContact NH1-CD 3.27Å; R70-E340 IonicContact NH1-OE1 3.69Å; R70-E340 PolarHBondContact NH1-OE1 2.84Å; R70-E340 IonicContact NH1-OE2 3.03Å; R70-E340 PolarHBondContact NH1-OE2 2.82Å; R70-E340 VanDerWaalsContact NH1-OE2 3.08Å; R70-E340 IonicContact NH2-OE1 2.66Å; R70-E340 IonicContact NH2-OE2 3.45Å; R70-E340 PolarHBondContact NH2-OE2 3.11Å; S338-E340 PolarHBondContact O-N 3.36Å; S338-E340 WeakPolarHBondContact OG-CB 3.31Å; S338-E340 PolarHBondContact OG-N 2.88Å; E340-Y342 VanDerWaalsContact C-N 3.35Å; E340-V343 PolarHBondContact O-N 3.46Å; E340-R344 VanDerWaalsContact O-CB 3.31Å; E340-R344 WeakPolarHBondContact O-CB 3.22Å; E340-R344 PolarHBondContact O-N 3.28Å
341A96.9Very high92.3Very high2 Ų223.5 Ų23.52%0.01711%0.114CC..Hα-helixtrans-65.4-40.1175.600000110.9F102 T326 T329 S338 T339 R344 C345F102-A341 HydrophobicContact CE1-CB 3.96Å; F102-A341 HydrophobicContact CZ-CB 4.1Å; T326-A341 WeakPolarHBondContact O-CB 3.25Å; T329-A341 HydrophobicContact CG2-CB 4.26Å; S338-A341 WeakPolarHBondContact O-CB 3.33Å; S338-A341 PolarHBondContact O-N 2.75Å; T339-A341 PolarHBondContact O-N 3.21Å; A341-R344 PolarHBondContact O-N 2.88Å; A341-C345 WeakPolarHBondContact O-CB 3.08Å; A341-C345 PolarHBondContact O-N 3.37Å; A341-C345 PolarHBondContact O-SG 3.33Å; A341-C345 VanDerWaalsContact O-SG 3.34Å
342Y97.9Very high93Very high0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-62.1-48.1170.7-69.1-85.2000111.8T326 T339 E340 R344 C345 L346 V353 E354 L355 I376 V381 I385T326-Y342 HydrophobicContact CG2-CD1 3.6Å; T326-Y342 HydrophobicContact CG2-CE1 3.89Å; T326-Y342 HydrophobicContact CG2-CG 4.13Å; T339-Y342 WeakPolarHBondContact O-CB 3.3Å; T339-Y342 PolarHBondContact O-N 2.82Å; T339-Y342 VanDerWaalsContact O-N 3.16Å; E340-Y342 VanDerWaalsContact C-N 3.35Å; Y342-R344 VanDerWaalsContact C-N 3.28Å; Y342-R344 PolarHBondContact O-N 2.91Å; Y342-C345 PolarHBondContact O-N 3.44Å; Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 WeakPolarHBondContact O-CG 3.44Å; Y342-L346 PolarHBondContact O-N 2.91Å; Y342-V353 HydrophobicContact CD1-CB 4.25Å; Y342-V353 HydrophobicContact CD1-CG2 4.26Å; Y342-V353 HydrophobicContact CE1-CB 4.35Å; Y342-V353 HydrophobicContact CE1-CG2 4.4Å; Y342-E354 VanDerWaalsContact CE1-O 3.26Å; Y342-E354 WeakPolarHBondContact CE1-O 3.28Å; Y342-E354 PolarHBondContact OH-O 2.76Å; Y342-L355 HydrophobicContact CE1-CD1 4.2Å; Y342-L355 HydrophobicContact CE1-CG 4.15Å; Y342-I376 HydrophobicContact CE2-CD1 4.24Å; Y342-V381 HydrophobicContact CD1-CG1 4.33Å; Y342-V381 HydrophobicContact CD2-CG1 3.79Å; Y342-V381 HydrophobicContact CD2-CG2 4.46Å; Y342-V381 HydrophobicContact CE1-CG1 4.06Å; Y342-V381 HydrophobicContact CE2-CB 4.38Å; Y342-V381 HydrophobicContact CE2-CG1 3.45Å; Y342-V381 VanDerWaalsContact CE2-CG1 3.45Å; Y342-V381 HydrophobicContact CE2-CG2 4.02Å; Y342-V381 HydrophobicContact CG-CG1 4.2Å; Y342-I385 HydrophobicContact CD1-CD1 3.99Å; Y342-I385 HydrophobicContact CD1-CG1 4.18Å; Y342-I385 HydrophobicContact CE1-CD1 4.26Å; Y342-I385 HydrophobicContact CG-CG1 4.45Å
343V96.5Very high93.8Very high3 Ų320.5 Ų20.52%0.01810%0.098CC..Hα-helixtrans-58.1-44.6179.3179.50000110.5T339 E340 L346 R347 A384 H388T339-V343 PolarHBondContact O-N 3.31Å; E340-V343 PolarHBondContact O-N 3.46Å; V343-L346 PolarHBondContact O-N 2.91Å; V343-R347 HydrophobicContact CG1-CG 4.37Å; V343-R347 WeakPolarHBondContact O-CB 3.3Å; V343-R347 VanDerWaalsContact O-CG 3.29Å; V343-R347 WeakPolarHBondContact O-CG 3.37Å; V343-R347 PolarHBondContact O-N 3.09Å; V343-A384 HydrophobicContact CG2-CB 4.21Å; V343-H388 HydrophobicContact CG1-CB 4.28Å; V343-H388 HydrophobicContact CG2-CB 4.48Å; V343-H388 VanDerWaalsContact CG2-CD2 3.41Å; V343-H388 WeakPolarHBondContact CG2-CD2 3.35Å
344R95.3Very high95Very high18 Ų1819.7 Ų19.77%0.0689%0.094CC..Hα-helixtrans-62.1-50.2179.3-169.760162.91400.9111.9Q101 F102 E340 A341 Y342 L346 R347 W348 E1162Q101-R344 PolarHBondContact O-NH2 3.01Å; Q101-R344 VanDerWaalsContact O-NH2 3.1Å; F102-R344 HydrophobicContact CD2-CG 3.78Å; F102-R344 HydrophobicContact CE2-CB 4.08Å; F102-R344 HydrophobicContact CE2-CG 3.72Å; F102-R344 HydrophobicContact CG-CG 4.49Å; F102-R344 HydrophobicContact CZ-CB 4.32Å; F102-R344 HydrophobicContact CZ-CG 4.39Å; E340-R344 VanDerWaalsContact O-CB 3.31Å; E340-R344 WeakPolarHBondContact O-CB 3.22Å; E340-R344 PolarHBondContact O-N 3.28Å; A341-R344 PolarHBondContact O-N 2.88Å; Y342-R344 VanDerWaalsContact C-N 3.28Å; Y342-R344 PolarHBondContact O-N 2.91Å; R344-L346 PolarHBondContact O-N 3.04Å; R344-R347 PolarHBondContact O-N 2.69Å; R344-W348 VanDerWaalsContact CZ-CE2 3.48Å; R344-W348 PolarHBondContact O-N 2.92Å; R344-E1162 IonicContact CZ-OE1 3.36Å; R344-E1162 IonicContact NH1-OE1 2.69Å; R344-E1162 PolarHBondContact NH1-OE1 3.42Å; R344-E1162 VanDerWaalsContact NH1-OE1 3.12Å; R344-E1162 IonicContact NH2-OE1 2.81Å; R344-E1162 PolarHBondContact NH2-OE1 3.32Å
345C97.1Very high95.9Very high0 Ų016.2 Ų16.20%08%0.076CC..Hα-helixtrans-60.2-45.3178-71.80000112T326 A341 Y342 R347 W348 G349 C350 Y1007T326-C345 HydrophobicContact CG2-CB 3.97Å; A341-C345 WeakPolarHBondContact O-CB 3.08Å; A341-C345 PolarHBondContact O-N 3.37Å; A341-C345 PolarHBondContact O-SG 3.33Å; A341-C345 VanDerWaalsContact O-SG 3.34Å; Y342-C345 PolarHBondContact O-N 3.44Å; C345-R347 VanDerWaalsContact C-N 3.34Å; C345-R347 PolarHBondContact O-N 3.11Å; C345-W348 PolarHBondContact O-N 3.36Å; C345-G349 PolarHBondContact O-N 2.92Å; C345-C350 HydrophobicContact CB-CB 4.04Å; C345-C350 WeakPolarHBondContact O-CB 3.31Å; C345-C350 PolarHBondContact O-N 3.13Å; C345-Y1007 HydrophobicContact CB-CD1 4.19Å; C345-Y1007 VanDerWaalsContact SG-CB 3.58Å; C345-Y1007 VanDerWaalsContact SG-CD1 3.56Å
346L97.7Very high96.3Very high0 Ų015.9 Ų15.90%07%0.073CC..Hα-helixtrans-63.5-39.7178.6-68.7170.7000111.9Y342 V343 R344 W348 G349 R351 V353 I385 H388 L397Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 WeakPolarHBondContact O-CG 3.44Å; Y342-L346 PolarHBondContact O-N 2.91Å; V343-L346 PolarHBondContact O-N 2.91Å; R344-L346 PolarHBondContact O-N 3.04Å; L346-W348 VanDerWaalsContact C-N 3.3Å; L346-W348 PolarHBondContact O-N 3.31Å; L346-G349 PolarHBondContact O-N 3.07Å; L346-R351 PolarHBondContact O-NH2 3.33Å; L346-V353 HydrophobicContact CD2-CG1 4.18Å; L346-I385 HydrophobicContact CD1-CG1 4.35Å; L346-H388 HydrophobicContact CD1-CB 4.13Å; L346-L397 HydrophobicContact CD2-CD1 3.52Å; L346-L397 HydrophobicContact CD2-CD2 3.75Å; L346-L397 HydrophobicContact CD2-CG 4.3Å
347R94Very high96.4Very high68 Ų6812 Ų1226%0.2576%0.055SC..Hα-helixtrans-69.7-24.7176.2-75.4-176.6170.2-72.1-6.7113.5E68 V343 R344 C345 G349 V391 A392E68-R347 IonicContact OE1-CZ 3.84Å; E68-R347 IonicContact OE1-NE 3.67Å; E68-R347 PolarHBondContact OE1-NE 2.89Å; E68-R347 IonicContact OE1-NH2 3.61Å; E68-R347 PolarHBondContact OE1-NH2 2.87Å; E68-R347 IonicContact OE2-CZ 2.73Å; E68-R347 IonicContact OE2-NE 2.82Å; E68-R347 PolarHBondContact OE2-NE 3.38Å; E68-R347 IonicContact OE2-NH2 3.42Å; V343-R347 HydrophobicContact CG1-CG 4.37Å; V343-R347 WeakPolarHBondContact O-CB 3.3Å; V343-R347 VanDerWaalsContact O-CG 3.29Å; V343-R347 WeakPolarHBondContact O-CG 3.37Å; V343-R347 PolarHBondContact O-N 3.09Å; R344-R347 PolarHBondContact O-N 2.69Å; C345-R347 VanDerWaalsContact C-N 3.34Å; C345-R347 PolarHBondContact O-N 3.11Å; R347-G349 PolarHBondContact O-N 2.89Å; R347-V391 VanDerWaalsContact NH1-CG1 3.35Å; R347-A392 WeakPolarHBondContact O-CB 3.28Å
348W93.6Very high96.2Very high53 Ų5313.4 Ų13.420%0.2016%0.06CC..THydrogen-bonded Turntrans-79.56.9168.1-76.5-8.1000113.7F102 R344 C345 L346 Y1007 Y1160 E1162F102-W348 AromaticContact CD2-CH2 3.73Å; F102-W348 HydrophobicContact CD2-CH2 3.73Å; F102-W348 AromaticContact CD2-CZ3 3.75Å; F102-W348 HydrophobicContact CD2-CZ3 3.75Å; F102-W348 HydrophobicContact CE2-CZ3 4.14Å; R344-W348 VanDerWaalsContact CZ-CE2 3.48Å; R344-W348 PolarHBondContact O-N 2.92Å; C345-W348 PolarHBondContact O-N 3.36Å; L346-W348 VanDerWaalsContact C-N 3.3Å; L346-W348 PolarHBondContact O-N 3.31Å; W348-Y1007 AromaticContact CE3-CD1 3.7Å; W348-Y1007 HydrophobicContact CE3-CD1 3.7Å; W348-Y1007 HydrophobicContact CE3-CE1 4.29Å; W348-Y1007 HydrophobicContact CZ3-CD1 4.22Å; W348-Y1160 AromaticContact CH2-CD1 3.92Å; W348-Y1160 HydrophobicContact CH2-CD1 3.92Å; W348-Y1160 HydrophobicContact CH2-CG 4.46Å; W348-E1162 PolarHBondContact NE1-OE1 3.12Å
349G95.6Very high95.9Very high1 Ų119 Ų191%0.019%0.085CC..THydrogen-bonded Turntrans81.913.4178.300000113.9C345 L346 R347 R351 G1028C345-G349 PolarHBondContact O-N 2.92Å; L346-G349 PolarHBondContact O-N 3.07Å; R347-G349 PolarHBondContact O-N 2.89Å; G349-R351 PolarHBondContact O-N 3.12Å; G349-G1028 WeakPolarHBondContact O-CA 3.38Å
350C98.1Very high95.6Very high0 Ų017.6 Ų17.60%08%0.078CC..  trans-63.2134.5173.4-167.30000110.7S321 S323 C345 C352 Y1007S321-C350 PolarHBondContact O-SG 3.43Å; S323-C350 PolarHBondContact N-SG 3.2Å; S323-C350 VanDerWaalsContact N-SG 3.44Å; C345-C350 HydrophobicContact CB-CB 4.04Å; C345-C350 WeakPolarHBondContact O-CB 3.31Å; C345-C350 PolarHBondContact O-N 3.13Å; C350-C352 PolarHBondContact SG-O 2.85Å; C350-C352 VanDerWaalsContact SG-O 3.35Å; C350-Y1007 HydrophobicContact CB-CE1 3.89Å
351R98.4Very high95.1Very high0 Ų021 Ų210%011%0.105CC..  trans-121.61.9-174.1-62.4-65.786.1179.90.7114I320 S321 L346 G349 A389 S393 F395 I398 S1027 Y1029I320-R351 HydrophobicContact CG2-CB 3.85Å; S321-R351 CarbonylContact O-C 3.57Å; S321-R351 PolarHBondContact O-N 3.08Å; L346-R351 PolarHBondContact O-NH2 3.33Å; G349-R351 PolarHBondContact O-N 3.12Å; R351-A389 PolarHBondContact NH1-O 2.97Å; R351-A389 PolarHBondContact NH2-O 3.18Å; R351-S393 PolarHBondContact NH1-O 2.96Å; R351-F395 PolarHBondContact NH1-O 2.92Å; R351-I398 PolarHBondContact O-N 2.98Å; R351-S1027 WeakPolarHBondContact CG-O 3.38Å; R351-Y1029 HydrophobicContact CB-CD2 4.42Å; R351-Y1029 HydrophobicContact CB-CE2 3.69Å; R351-Y1029 HydrophobicContact CG-CD2 3.83Å; R351-Y1029 HydrophobicContact CG-CE2 3.45Å; R351-Y1029 VanDerWaalsContact CG-CE2 3.45Å
352C98.5Very high94.6Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans-137.7114.8168.5-178.10000109.3S321 S322 S323 C350 I398 M1002S321-C352 PolarHBondContact O-N 2.76Å; S322-C352 WeakPolarHBondContact CA-O 3.29Å; S322-C352 WeakPolarHBondContact OG-CB 3.29Å; S323-C352 PolarHBondContact N-O 3.31Å; C350-C352 PolarHBondContact SG-O 2.85Å; C350-C352 VanDerWaalsContact SG-O 3.35Å; C352-I398 VanDerWaalsContact CA-O 3.28Å; C352-I398 WeakPolarHBondContact CA-O 3.4Å; C352-I398 HydrophobicContact CB-CB 4.24Å; C352-M1002 HydrophobicContact CB-CG 4.21Å; C352-M1002 HydrophobicContact CB-SD 4.23Å
353V98.6Very high94.3Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-120.5154.3-178.5-61.50000110.8T326 Y342 L346 L355 I385 L397 I398 L399 S400T326-V353 HydrophobicContact CG2-CB 4.01Å; T326-V353 HydrophobicContact CG2-CG1 3.94Å; Y342-V353 HydrophobicContact CD1-CB 4.25Å; Y342-V353 HydrophobicContact CD1-CG2 4.26Å; Y342-V353 HydrophobicContact CE1-CB 4.35Å; Y342-V353 HydrophobicContact CE1-CG2 4.4Å; L346-V353 HydrophobicContact CD2-CG1 4.18Å; V353-L355 HydrophobicContact CG2-CD1 4.31Å; V353-I385 HydrophobicContact CG2-CD1 4.42Å; V353-L397 HydrophobicContact CG1-CD1 4.49Å; V353-L397 HydrophobicContact CG2-CD1 4.33Å; V353-I398 PolarHBondContact N-O 3.03Å; V353-L399 HydrophobicContact CG2-CD2 3.35Å; V353-S400 PolarHBondContact O-N 2.8Å
354E98.4Very high94.1Very high4 Ų425.6 Ų25.62%0.01914%0.143CC..EExtended strand (participates in β ladder)trans-110.1139-173.3-174.6152.4-119.500112.4H324 N325 T326 Y342 D356 S400 R977H324-E354 WeakPolarHBondContact CA-OE2 3.43Å; H324-E354 IonicContact CD2-OE2 2.88Å; H324-E354 PolarHBondContact CD2-OE2 2.93Å; H324-E354 IonicContact CG-OE2 3.85Å; H324-E354 IonicContact NE2-OE2 2.87Å; N325-E354 PolarHBondContact N-OE2 3.03Å; N325-E354 PolarHBondContact OD1-OE2 3.03Å; T326-E354 PolarHBondContact OG1-N 3.01Å; Y342-E354 VanDerWaalsContact CE1-O 3.26Å; Y342-E354 WeakPolarHBondContact CE1-O 3.28Å; Y342-E354 PolarHBondContact OH-O 2.76Å; E354-D356 WeakPolarHBondContact CG-OD1 3.36Å; E354-S400 WeakPolarHBondContact CA-O 3.4Å; E354-R977 IonicContact OE1-CZ 3.78Å; E354-R977 VanDerWaalsContact OE1-CZ 3.25Å; E354-R977 IonicContact OE1-NH1 2.77Å; E354-R977 PolarHBondContact OE1-NH1 3.01Å; E354-R977 IonicContact OE1-NH2 2.73Å; E354-R977 PolarHBondContact OE1-NH2 3.09Å; E354-R977 IonicContact OE2-CZ 3.93Å; E354-R977 IonicContact OE2-NH1 3.6Å; E354-R977 IonicContact OE2-NH2 3.71Å; E354-R977 PolarHBondContact OE2-NH2 3.23Å
355L98Very high94.1Very high0 Ų025.5 Ų25.50%014%0.144CC..EExtended strand (participates in β ladder)trans-130.3110.3178.6-6883.2000108.8Y342 V353 C357 I366 F378 V381 I385 L399 S400 E402Y342-L355 HydrophobicContact CE1-CD1 4.2Å; Y342-L355 HydrophobicContact CE1-CG 4.15Å; V353-L355 HydrophobicContact CG2-CD1 4.31Å; L355-C357 PolarHBondContact O-N 2.71Å; L355-I366 HydrophobicContact CB-CD1 4.02Å; L355-I366 HydrophobicContact CD2-CD1 3.9Å; L355-I366 HydrophobicContact CG-CD1 4.05Å; L355-F378 HydrophobicContact CD2-CD2 4.45Å; L355-F378 HydrophobicContact CD2-CE2 4.02Å; L355-V381 HydrophobicContact CD2-CG1 4.03Å; L355-V381 HydrophobicContact CG-CG1 4.45Å; L355-I385 HydrophobicContact CD1-CD1 4.22Å; L355-I385 HydrophobicContact CD2-CD1 4.24Å; L355-L399 HydrophobicContact CD1-CB 4.11Å; L355-L399 HydrophobicContact CD1-CD2 4.22Å; L355-S400 PolarHBondContact N-O 3.11Å; L355-E402 PolarHBondContact O-N 3.41Å
356D95.8Very high94.1Very high4 Ų425.5 Ų25.52%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-95.196.6177.2-69.14.5000109.3N325 Y327 E354 I366 E402N325-D356 PolarHBondContact OD1-OD2 2.64Å; Y327-D356 HydrophobicContact CE1-CB 3.71Å; Y327-D356 PolarHBondContact OH-OD2 3.14Å; E354-D356 WeakPolarHBondContact CG-OD1 3.36Å; D356-I366 VanDerWaalsContact O-CA 3.29Å; D356-I366 WeakPolarHBondContact O-CA 3.29Å; D356-E402 WeakPolarHBondContact OD1-CB 3.4Å
357C94.9Very high93.8Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-94.8121.5-168.8-55.80000110.8L355 I365 E402 H404 C405 M413L355-C357 PolarHBondContact O-N 2.71Å; C357-I365 WeakPolarHBondContact CA-O 3.47Å; C357-E402 PolarHBondContact N-O 3.37Å; C357-H404 PolarHBondContact O-N 3.08Å; C357-C405 VanDerWaalsContact C-SG 3.53Å; C357-C405 PolarHBondContact O-SG 3.41Å; C357-M413 HydrophobicContact CB-CE 3.61Å; C357-M413 HydrophobicContact CB-SD 4.06Å; C357-M413 WeakPolarHBondContact SG-CE 3.47Å
358W90.4Very high93.4Very high29 Ų2925.7 Ų25.711%0.1115%0.147CC..EExtended strand (participates in β ladder)trans-124.2161.2-179.1-67.786.1000111.7G360 I365 Y367 G369 W370 H404 C405W358-G360 PolarHBondContact O-N 2.71Å; W358-I365 HydrophobicContact CB-CG1 4.19Å; W358-I365 PolarHBondContact N-O 3.14Å; W358-I365 WeakPolarHBondContact O-CG1 3.01Å; W358-I365 PolarHBondContact O-N 3.25Å; W358-Y367 HydrophobicContact CB-CD1 4.05Å; W358-Y367 HydrophobicContact CB-CE1 3.52Å; W358-Y367 AromaticContact CD1-CD1 3.73Å; W358-Y367 AromaticContact CD1-CE1 3.63Å; W358-Y367 HydrophobicContact CD2-CE1 4.01Å; W358-Y367 AromaticContact CG-CD1 3.95Å; W358-Y367 HydrophobicContact CG-CD1 3.95Å; W358-Y367 AromaticContact CG-CE1 3.42Å; W358-Y367 HydrophobicContact CG-CE1 3.42Å; W358-Y367 VanDerWaalsContact CG-CE1 3.42Å; W358-Y367 PolarHBondContact NE1-O 3.12Å; W358-G369 VanDerWaalsContact CE2-CA 3.46Å; W358-W370 AromaticContact CH2-CD1 3.84Å; W358-W370 AromaticContact CH2-NE1 3.47Å; W358-W370 AromaticContact CZ3-NE1 3.67Å; W358-H404 HydrophobicContact CD2-CB 3.72Å; W358-H404 AromaticContact CD2-CD2 3.93Å; W358-H404 AromaticContact CE2-CD2 3.33Å; W358-H404 AromaticContact CE2-CG 3.77Å; W358-H404 AromaticContact CE2-NE2 3.99Å; W358-H404 HydrophobicContact CE3-CB 3.54Å; W358-H404 HydrophobicContact CG-CB 4.36Å; W358-H404 HydrophobicContact CH2-CB 4.01Å; W358-H404 AromaticContact CH2-CD2 3.83Å; W358-H404 AromaticContact CH2-CG 3.62Å; W358-H404 AromaticContact CH2-ND1 3.79Å; W358-H404 HydrophobicContact CZ2-CB 4.17Å; W358-H404 AromaticContact CZ2-CD2 3.27Å; W358-H404 WeakPolarHBondContact CZ2-CD2 3.43Å; W358-H404 AromaticContact CZ2-CE1 3.93Å; W358-H404 AromaticContact CZ2-CG 3.57Å; W358-H404 AromaticContact CZ2-ND1 4Å; W358-H404 AromaticContact CZ2-NE2 3.5Å; W358-H404 HydrophobicContact CZ3-CB 3.71Å; W358-H404 AromaticContact CZ3-CG 3.87Å; W358-H404 AromaticContact NE1-CD2 3.7Å; W358-C405 PolarHBondContact O-SG 3.41Å
359E89.1Confident92.4Very high126 Ų12623.7 Ų23.759%0.58914%0.143SC*.  trans-60.7125173.9-170.5177.6-170.900111.3I365 P406E359-I365 WeakPolarHBondContact O-CD1 3.41Å; E359-P406 HydrophobicContact CG-CG 4.15Å
360G87.8Confident91.2Very high8 Ų831.3 Ų31.38%0.08217%0.171CC..  trans-119.5171.4173.300000113.4W358 G362 E363 Q409W358-G360 PolarHBondContact O-N 2.71Å; G360-G362 PolarHBondContact O-N 3.34Å; G360-E363 CarbonylContact C-O 3.58Å; G360-E363 VanDerWaalsContact C-O 3.26Å; G360-E363 WeakPolarHBondContact CA-O 3.49Å; G360-E363 PolarHBondContact N-O 2.71Å; G360-Q409 PolarHBondContact O-NE2 2.8Å
361P84.6Confident89.9Confident126 Ų12632.2 Ų32.282%0.81818%0.177SC*.SBendtrans-70.491.4-179.728.8-33.4000110.7E363P361-E363 VanDerWaalsContact C-N 3.28Å; P361-E363 PolarHBondContact O-N 2.94Å
362G86.1Confident88.7Confident65 Ų6538 Ų3867%0.6720%0.198SC*.SBendtrans85.7-21.6178.200000115.4G360 Q412G360-G362 PolarHBondContact O-N 3.34Å; G362-Q412 PolarHBondContact O-OE1 2.78Å
363E91.1Very high88Confident35 Ų3538 Ų3816%0.16420%0.199CC..SBendtrans-140.6154.7174.965.9-178.9131.800111.3G360 P361 K377G360-E363 CarbonylContact C-O 3.58Å; G360-E363 VanDerWaalsContact C-O 3.26Å; G360-E363 WeakPolarHBondContact CA-O 3.49Å; G360-E363 PolarHBondContact N-O 2.71Å; P361-E363 VanDerWaalsContact C-N 3.28Å; P361-E363 PolarHBondContact O-N 2.94Å; E363-K377 VanDerWaalsContact OE1-CD 3.23Å; E363-K377 WeakPolarHBondContact OE1-CD 3.1Å; E363-K377 WeakPolarHBondContact OE1-CE 3.32Å; E363-K377 IonicContact OE1-NZ 3.47Å; E363-K377 PolarHBondContact OE1-NZ 3.42Å
364P93Very high87.6Confident0 Ų041 Ų410%022%0.217CC..  trans-63145.4176-918.3000112.1F378 Q409 M413P364-F378 HydrophobicContact CB-CB 3.85Å; P364-F378 HydrophobicContact CB-CG 4.24Å; P364-F378 HydrophobicContact CG-CB 4.45Å; P364-F378 WeakPolarHBondContact O-CB 3.35Å; P364-F378 PolarHBondContact O-N 3.04Å; P364-Q409 HydrophobicContact CG-CB 4.12Å; P364-M413 HydrophobicContact CB-CG 4.03Å; P364-M413 HydrophobicContact CB-SD 4.39Å; P364-M413 HydrophobicContact CG-CG 3.59Å; P364-M413 HydrophobicContact CG-SD 4.44Å
365I95.7Very high87.4Confident16 Ų1646.8 Ų46.88%0.08224%0.242CC..EExtended strand (participates in β ladder)trans-122.2159.5178.654.4167000111.1C357 W358 E359 Y367 K375 I376C357-I365 WeakPolarHBondContact CA-O 3.47Å; W358-I365 HydrophobicContact CB-CG1 4.19Å; W358-I365 PolarHBondContact N-O 3.14Å; W358-I365 WeakPolarHBondContact O-CG1 3.01Å; W358-I365 PolarHBondContact O-N 3.25Å; E359-I365 WeakPolarHBondContact O-CD1 3.41Å; I365-Y367 HydrophobicContact CD1-CD1 4.02Å; I365-Y367 HydrophobicContact CD1-CE1 4.04Å; I365-Y367 HydrophobicContact CG1-CD1 4.45Å; I365-K375 HydrophobicContact CD1-CB 4.35Å; I365-K375 HydrophobicContact CD1-CD 3.65Å; I365-K375 HydrophobicContact CD1-CG 4.08Å; I365-I376 CarbonylContact C-O 3.26Å; I365-I376 WeakPolarHBondContact CA-O 3.49Å
366I95.9Very high87.3Confident0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-118.5127.5173.9-58.9-179.1000109.4Y327 L355 D356 I376 F378 V381Y327-I366 HydrophobicContact CD1-CG2 3.65Å; Y327-I366 HydrophobicContact CD2-CG2 4.27Å; Y327-I366 HydrophobicContact CE1-CG2 4.23Å; Y327-I366 HydrophobicContact CG-CG2 3.68Å; L355-I366 HydrophobicContact CB-CD1 4.02Å; L355-I366 HydrophobicContact CD2-CD1 3.9Å; L355-I366 HydrophobicContact CG-CD1 4.05Å; D356-I366 VanDerWaalsContact O-CA 3.29Å; D356-I366 WeakPolarHBondContact O-CA 3.29Å; I366-I376 HydrophobicContact CB-CD1 4.49Å; I366-I376 HydrophobicContact CB-CG1 3.92Å; I366-I376 HydrophobicContact CG2-CG1 4.45Å; I366-I376 PolarHBondContact N-O 3.39Å; I366-I376 PolarHBondContact O-N 3.02Å; I366-F378 HydrophobicContact CD1-CD2 4.07Å; I366-F378 HydrophobicContact CG1-CB 4.49Å; I366-F378 HydrophobicContact CG1-CD2 4.33Å; I366-V381 HydrophobicContact CD1-CB 3.89Å; I366-V381 HydrophobicContact CD1-CG1 3.79Å; I366-V381 HydrophobicContact CD1-CG2 3.78Å
367Y92.1Very high87.3Confident28 Ų2852.4 Ų52.411%0.1127%0.267CS..SBendtrans-167.9169.7170.878.2-66.5000109.7W358 I365 G369 W370 T374 K375W358-Y367 HydrophobicContact CB-CD1 4.05Å; W358-Y367 HydrophobicContact CB-CE1 3.52Å; W358-Y367 AromaticContact CD1-CD1 3.73Å; W358-Y367 AromaticContact CD1-CE1 3.63Å; W358-Y367 HydrophobicContact CD2-CE1 4.01Å; W358-Y367 AromaticContact CG-CD1 3.95Å; W358-Y367 HydrophobicContact CG-CD1 3.95Å; W358-Y367 AromaticContact CG-CE1 3.42Å; W358-Y367 HydrophobicContact CG-CE1 3.42Å; W358-Y367 VanDerWaalsContact CG-CE1 3.42Å; W358-Y367 PolarHBondContact NE1-O 3.12Å; I365-Y367 HydrophobicContact CD1-CD1 4.02Å; I365-Y367 HydrophobicContact CD1-CE1 4.04Å; I365-Y367 HydrophobicContact CG1-CD1 4.45Å; Y367-G369 PolarHBondContact O-N 3.21Å; Y367-W370 PolarHBondContact OH-N 3.32Å; Y367-T374 WeakPolarHBondContact CB-O 3.35Å; Y367-K375 HydrophobicContact CD1-CG 4.12Å; Y367-K375 HydrophobicContact CD2-CG 4.31Å; Y367-K375 HydrophobicContact CG-CG 3.87Å
368H85Confident87.4Confident45 Ų4552.4 Ų52.421%0.20827%0.267CS..  trans-79.7111.9174.2-172.7-150.9000109.3Y327 Q332 W370 T371 T373Y327-H368 HydrophobicContact CE2-CB 3.97Å; Y327-H368 VanDerWaalsContact CE2-N 3.35Å; Y327-H368 VanDerWaalsContact OH-CA 3.28Å; Y327-H368 WeakPolarHBondContact OH-CA 3.46Å; Y327-H368 WeakPolarHBondContact OH-CB 3.36Å; Q332-H368 PolarHBondContact O-ND1 2.81Å; H368-W370 PolarHBondContact O-N 2.91Å; H368-T371 HydrophobicContact CB-CG2 4.26Å; H368-T371 WeakPolarHBondContact ND1-CG2 3.44Å; H368-T371 WeakPolarHBondContact O-CB 3.44Å; H368-T371 PolarHBondContact O-N 3.27Å; H368-T371 VanDerWaalsContact O-N 3.17Å; H368-T371 PolarHBondContact O-OG1 3.1Å; H368-T373 HydrophobicContact CB-CG2 4.2Å; H368-T373 PolarHBondContact N-OG1 3.04Å; H368-T373 VanDerWaalsContact N-OG1 3.14Å
369G73.4Confident87.7Confident11 Ų1154 Ų5411%0.11328%0.276CS..THydrogen-bonded Turntrans-49134.7-170.200000113.9W358 Y367 T371W358-G369 VanDerWaalsContact CE2-CA 3.46Å; Y367-G369 PolarHBondContact O-N 3.21Å; G369-T371 PolarHBondContact O-N 3.41Å; G369-T371 VanDerWaalsContact O-N 3.14Å
370W69.9Low87.9Confident160 Ų16051.5 Ų51.561%0.60627%0.266SS*.THydrogen-bonded Turntrans61.815.8176.9-46.293.4000115.8W358 Y367 H368 F465 Q471 Y488W358-W370 AromaticContact CH2-CD1 3.84Å; W358-W370 AromaticContact CH2-NE1 3.47Å; W358-W370 AromaticContact CZ3-NE1 3.67Å; Y367-W370 PolarHBondContact OH-N 3.32Å; H368-W370 PolarHBondContact O-N 2.91Å; W370-F465 HydrophobicContact CZ2-CE1 4.42Å; W370-Q471 VanDerWaalsContact O-CD 3.29Å; W370-Q471 PolarHBondContact O-NE2 2.98Å; W370-Y488 PolarHBondContact O-OH 2.86Å
371T71.6Confident88.4Confident19 Ų1951.1 Ų51.112%0.11726%0.263CS..SBendtrans-105.6-178.5174.372.10000112.1L333 H368 G369 T373L333-T371 HydrophobicContact CD2-CG2 3.81Å; H368-T371 HydrophobicContact CB-CG2 4.26Å; H368-T371 WeakPolarHBondContact ND1-CG2 3.44Å; H368-T371 WeakPolarHBondContact O-CB 3.44Å; H368-T371 PolarHBondContact O-N 3.27Å; H368-T371 VanDerWaalsContact O-N 3.17Å; H368-T371 PolarHBondContact O-OG1 3.1Å; G369-T371 PolarHBondContact O-N 3.41Å; G369-T371 VanDerWaalsContact O-N 3.14Å; T371-T373 VanDerWaalsContact C-N 3.32Å; T371-T373 WeakPolarHBondContact OG1-CG2 3.31Å; T371-T373 PolarHBondContact OG1-N 2.79Å; T371-T373 PolarHBondContact OG1-OG1 3.12Å
372R72.3Confident89Confident121 Ų12145.1 Ų45.146%0.45722%0.224SC..SBendtrans-92.88.2175.5-57.2177.8105.9-148-3112.6L333 L334 D473 Y488L333-R372 CarbonylContact O-C 3.56Å; L333-R372 WeakPolarHBondContact O-CA 3.34Å; L333-R372 WeakPolarHBondContact O-CB 3.24Å; L333-R372 PolarHBondContact O-N 3.15Å; L334-R372 HydrophobicContact CD2-CB 4.03Å; L334-R372 HydrophobicContact CD2-CG 4.37Å; R372-D473 VanDerWaalsContact CZ-CG 3.49Å; R372-D473 IonicContact CZ-OD1 2.79Å; R372-D473 IonicContact CZ-OD2 3.19Å; R372-D473 VanDerWaalsContact CZ-OD2 3.24Å; R372-D473 IonicContact NE-OD1 3.81Å; R372-D473 PolarHBondContact NE-OD1 2.9Å; R372-D473 VanDerWaalsContact NE-OD1 3.11Å; R372-D473 IonicContact NE-OD2 2.72Å; R372-D473 IonicContact NH1-OD1 3.58Å; R372-D473 VanDerWaalsContact NH2-CG 3.25Å; R372-D473 IonicContact NH2-OD1 3.24Å; R372-D473 PolarHBondContact NH2-OD1 3.45Å; R372-D473 IonicContact NH2-OD2 2.69Å; R372-D473 PolarHBondContact NH2-OD2 2.88Å; R372-Y488 HydrophobicContact CG-CD2 4.42Å; R372-Y488 HydrophobicContact CG-CE2 4.17Å
373T84.1Confident89.5Confident2 Ų246 Ų461%0.01221%0.209CC..  trans-58.5142.3173.957.50000110.2L328 L333 S335 H368 T371L328-T373 HydrophobicContact CD2-CG2 3.59Å; L333-T373 PolarHBondContact O-N 3.44Å; L333-T373 VanDerWaalsContact O-N 3.12Å; S335-T373 VanDerWaalsContact O-CA 3.28Å; S335-T373 WeakPolarHBondContact O-CA 3.31Å; S335-T373 WeakPolarHBondContact O-CB 3.49Å; S335-T373 WeakPolarHBondContact O-CG2 3.41Å; H368-T373 HydrophobicContact CB-CG2 4.2Å; H368-T373 PolarHBondContact N-OG1 3.04Å; H368-T373 VanDerWaalsContact N-OG1 3.14Å; T371-T373 VanDerWaalsContact C-N 3.32Å; T371-T373 WeakPolarHBondContact OG1-CG2 3.31Å; T371-T373 PolarHBondContact OG1-N 2.79Å; T371-T373 PolarHBondContact OG1-OG1 3.12Å
374T91.4Very high89.7Confident61 Ų6145 Ų4537%0.37421%0.207SC..  trans-66.5160.5179.865.40000110.3E336 S337 Y367E336-T374 HydrophobicContact CG-CG2 4.26Å; E336-T374 WeakPolarHBondContact CG-OG1 3.48Å; S337-T374 WeakPolarHBondContact CB-O 3.34Å; S337-T374 PolarHBondContact N-OG1 3.4Å; S337-T374 PolarHBondContact O-OG1 3.07Å; S337-T374 PolarHBondContact OG-O 3.33Å; Y367-T374 WeakPolarHBondContact CB-O 3.35Å
375K93.8Very high90Very high126 Ų12645 Ų4555%0.54821%0.207SC..  trans-107.9134-176.2-63168.9174.879.10109.5I365 Y367I365-K375 HydrophobicContact CD1-CB 4.35Å; I365-K375 HydrophobicContact CD1-CD 3.65Å; I365-K375 HydrophobicContact CD1-CG 4.08Å; Y367-K375 HydrophobicContact CD1-CG 4.12Å; Y367-K375 HydrophobicContact CD2-CG 4.31Å; Y367-K375 HydrophobicContact CG-CG 3.87Å
376I95.2Very high90.1Very high25 Ų2545.5 Ų45.513%0.12821%0.21CC..EExtended strand (participates in β ladder)trans-118.8151.917460.2-177.7000110.4S337 Y342 I365 I366 V381S337-I376 WeakPolarHBondContact O-CG2 3.02Å; Y342-I376 HydrophobicContact CE2-CD1 4.24Å; I365-I376 CarbonylContact C-O 3.26Å; I365-I376 WeakPolarHBondContact CA-O 3.49Å; I366-I376 HydrophobicContact CB-CD1 4.49Å; I366-I376 HydrophobicContact CB-CG1 3.92Å; I366-I376 HydrophobicContact CG2-CG1 4.45Å; I366-I376 PolarHBondContact N-O 3.39Å; I366-I376 PolarHBondContact O-N 3.02Å; I376-V381 HydrophobicContact CD1-CG2 3.43Å; I376-V381 VanDerWaalsContact CD1-CG2 3.43Å; I376-V381 HydrophobicContact CG1-CG2 3.8Å
377K95.5Very high90Very high97 Ų9750.1 Ų50.142%0.42223%0.234SC..EExtended strand (participates in β ladder)trans-72.6136.9-179.6-63.2-179.5173.4-144.80110.5E363 E379 D380 V381E363-K377 VanDerWaalsContact OE1-CD 3.23Å; E363-K377 WeakPolarHBondContact OE1-CD 3.1Å; E363-K377 WeakPolarHBondContact OE1-CE 3.32Å; E363-K377 IonicContact OE1-NZ 3.47Å; E363-K377 PolarHBondContact OE1-NZ 3.42Å; K377-E379 VanDerWaalsContact C-N 3.31Å; K377-E379 PolarHBondContact O-N 3.44Å; K377-D380 HydrophobicContact CB-CB 4.25Å; K377-D380 WeakPolarHBondContact CD-OD2 3.39Å; K377-D380 PolarHBondContact O-N 3.03Å; K377-V381 WeakPolarHBondContact O-CG2 3.25Å; K377-V381 PolarHBondContact O-N 2.93Å
378F97.1Very high90.2Very high0 Ų049.7 Ų49.70%023%0.233CC..Hα-helixtrans-59.8-42.4176173.4-94.3000111.8L355 P364 I366 D380 V381 V382 M413 I416 F417L355-F378 HydrophobicContact CD2-CD2 4.45Å; L355-F378 HydrophobicContact CD2-CE2 4.02Å; P364-F378 HydrophobicContact CB-CB 3.85Å; P364-F378 HydrophobicContact CB-CG 4.24Å; P364-F378 HydrophobicContact CG-CB 4.45Å; P364-F378 WeakPolarHBondContact O-CB 3.35Å; P364-F378 PolarHBondContact O-N 3.04Å; I366-F378 HydrophobicContact CD1-CD2 4.07Å; I366-F378 HydrophobicContact CG1-CB 4.49Å; I366-F378 HydrophobicContact CG1-CD2 4.33Å; F378-D380 VanDerWaalsContact C-N 3.35Å; F378-D380 PolarHBondContact O-N 3.17Å; F378-V381 WeakPolarHBondContact O-CB 3.4Å; F378-V381 PolarHBondContact O-N 3Å; F378-V382 HydrophobicContact CD1-CG2 4.08Å; F378-V382 HydrophobicContact CD2-CG2 4.41Å; F378-V382 HydrophobicContact CE1-CG2 3.6Å; F378-V382 HydrophobicContact CE2-CG2 3.96Å; F378-V382 HydrophobicContact CG-CG2 4.46Å; F378-V382 HydrophobicContact CZ-CG2 3.54Å; F378-V382 WeakPolarHBondContact O-CG2 3.25Å; F378-V382 PolarHBondContact O-N 3.4Å; F378-M413 HydrophobicContact CD1-CG 4.14Å; F378-M413 HydrophobicContact CD2-CE 4.36Å; F378-M413 HydrophobicContact CD2-CG 4.49Å; F378-M413 HydrophobicContact CE1-CB 3.87Å; F378-M413 HydrophobicContact CE1-CG 3.86Å; F378-M413 HydrophobicContact CE2-CE 3.77Å; F378-M413 HydrophobicContact CE2-CG 4.24Å; F378-M413 HydrophobicContact CG-CG 4.44Å; F378-M413 HydrophobicContact CZ-CB 3.86Å; F378-M413 HydrophobicContact CZ-CE 4.07Å; F378-M413 HydrophobicContact CZ-CG 3.91Å; F378-I416 HydrophobicContact CD1-CB 4.46Å; F378-I416 HydrophobicContact CD1-CD1 3.87Å; F378-I416 HydrophobicContact CD1-CG2 4.11Å; F378-I416 HydrophobicContact CE1-CB 3.97Å; F378-I416 HydrophobicContact CE1-CD1 4.17Å; F378-I416 HydrophobicContact CE1-CG2 3.74Å; F378-F417 HydrophobicContact CE2-CE1 4.32Å; F378-F417 HydrophobicContact CE2-CE2 4.24Å; F378-F417 AromaticContact CE2-CZ 3.8Å; F378-F417 HydrophobicContact CE2-CZ 3.8Å; F378-F417 HydrophobicContact CZ-CD1 4.26Å; F378-F417 HydrophobicContact CZ-CD2 4.14Å; F378-F417 AromaticContact CZ-CE1 3.73Å; F378-F417 HydrophobicContact CZ-CE1 3.73Å; F378-F417 AromaticContact CZ-CE2 3.58Å; F378-F417 HydrophobicContact CZ-CE2 3.58Å; F378-F417 HydrophobicContact CZ-CG 4.47Å; F378-F417 AromaticContact CZ-CZ 3.38Å; F378-F417 HydrophobicContact CZ-CZ 3.38Å
379E96.1Very high90.7Very high64 Ų6447.5 Ų47.530%0.29922%0.223SC..Hα-helixtrans-60.6-42.1-179.5-167.6-177.5156.500112.4K377 V381 V382 K383 I416K377-E379 VanDerWaalsContact C-N 3.31Å; K377-E379 PolarHBondContact O-N 3.44Å; E379-V381 VanDerWaalsContact C-N 3.33Å; E379-V381 PolarHBondContact O-N 3.34Å; E379-V382 PolarHBondContact O-N 2.85Å; E379-K383 HydrophobicContact CG-CD 4.43Å; E379-K383 WeakPolarHBondContact O-CG 3.49Å; E379-K383 PolarHBondContact O-N 3.49Å; E379-K383 WeakPolarHBondContact OE1-CE 3.28Å; E379-K383 IonicContact OE1-NZ 2.7Å; E379-K383 PolarHBondContact OE1-NZ 3.42Å; E379-I416 HydrophobicContact CB-CD1 4.17Å; E379-I416 HydrophobicContact CB-CG2 4.46Å; E379-I416 HydrophobicContact CG-CD1 4.41Å; E379-I416 HydrophobicContact CG-CG2 4.15Å
380D95.1Very high91.9Very high72 Ų7248.7 Ų48.739%0.38523%0.225SC..Hα-helixtrans-66.6-36.4179.1-65.7-21.4000111.7T339 K377 F378 K383 A384T339-D380 HydrophobicContact CG2-CB 4.13Å; K377-D380 HydrophobicContact CB-CB 4.25Å; K377-D380 WeakPolarHBondContact CD-OD2 3.39Å; K377-D380 PolarHBondContact O-N 3.03Å; F378-D380 VanDerWaalsContact C-N 3.35Å; F378-D380 PolarHBondContact O-N 3.17Å; D380-K383 PolarHBondContact O-N 2.97Å; D380-A384 WeakPolarHBondContact O-CB 3.45Å; D380-A384 PolarHBondContact O-N 3.34Å
381V97.3Very high93Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-64.7-46.1173.9173.80000110.8T339 Y342 L355 I366 I376 K377 F378 E379 K383 A384 I385T339-V381 HydrophobicContact CG2-CG2 4.03Å; Y342-V381 HydrophobicContact CD1-CG1 4.33Å; Y342-V381 HydrophobicContact CD2-CG1 3.79Å; Y342-V381 HydrophobicContact CD2-CG2 4.46Å; Y342-V381 HydrophobicContact CE1-CG1 4.06Å; Y342-V381 HydrophobicContact CE2-CB 4.38Å; Y342-V381 HydrophobicContact CE2-CG1 3.45Å; Y342-V381 VanDerWaalsContact CE2-CG1 3.45Å; Y342-V381 HydrophobicContact CE2-CG2 4.02Å; Y342-V381 HydrophobicContact CG-CG1 4.2Å; L355-V381 HydrophobicContact CD2-CG1 4.03Å; L355-V381 HydrophobicContact CG-CG1 4.45Å; I366-V381 HydrophobicContact CD1-CB 3.89Å; I366-V381 HydrophobicContact CD1-CG1 3.79Å; I366-V381 HydrophobicContact CD1-CG2 3.78Å; I376-V381 HydrophobicContact CD1-CG2 3.43Å; I376-V381 VanDerWaalsContact CD1-CG2 3.43Å; I376-V381 HydrophobicContact CG1-CG2 3.8Å; K377-V381 WeakPolarHBondContact O-CG2 3.25Å; K377-V381 PolarHBondContact O-N 2.93Å; F378-V381 WeakPolarHBondContact O-CB 3.4Å; F378-V381 PolarHBondContact O-N 3Å; E379-V381 VanDerWaalsContact C-N 3.33Å; E379-V381 PolarHBondContact O-N 3.34Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 3.43Å; V381-A384 PolarHBondContact O-N 2.97Å; V381-I385 HydrophobicContact CG1-CD1 3.83Å; V381-I385 HydrophobicContact CG1-CG1 4.44Å; V381-I385 VanDerWaalsContact O-CG1 3.31Å; V381-I385 WeakPolarHBondContact O-CG1 3.47Å; V381-I385 PolarHBondContact O-N 3.36Å
382V97.8Very high94Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-63.3-39.8178.31780000111F378 E379 I385 N386 I416 F417 V420 F421F378-V382 HydrophobicContact CD1-CG2 4.08Å; F378-V382 HydrophobicContact CD2-CG2 4.41Å; F378-V382 HydrophobicContact CE1-CG2 3.6Å; F378-V382 HydrophobicContact CE2-CG2 3.96Å; F378-V382 HydrophobicContact CG-CG2 4.46Å; F378-V382 HydrophobicContact CZ-CG2 3.54Å; F378-V382 WeakPolarHBondContact O-CG2 3.25Å; F378-V382 PolarHBondContact O-N 3.4Å; E379-V382 PolarHBondContact O-N 2.85Å; V382-I385 PolarHBondContact O-N 3.02Å; V382-N386 WeakPolarHBondContact O-CB 3.21Å; V382-N386 PolarHBondContact O-N 3.08Å; V382-I416 HydrophobicContact CB-CG2 4.08Å; V382-I416 HydrophobicContact CG1-CG2 4.09Å; V382-I416 HydrophobicContact CG2-CG2 4.17Å; V382-F417 HydrophobicContact CG1-CD1 4.01Å; V382-F417 HydrophobicContact CG1-CE1 4.39Å; V382-F417 HydrophobicContact CG2-CD1 4.01Å; V382-F417 HydrophobicContact CG2-CE1 3.71Å; V382-V420 HydrophobicContact CG1-CB 3.81Å; V382-V420 HydrophobicContact CG1-CG1 3.81Å; V382-V420 HydrophobicContact CG1-CG2 4.33Å; V382-F421 HydrophobicContact CB-CZ 4.49Å; V382-F421 HydrophobicContact CG1-CD1 4.15Å; V382-F421 HydrophobicContact CG1-CD2 4.47Å; V382-F421 HydrophobicContact CG1-CE1 3.63Å; V382-F421 HydrophobicContact CG1-CE2 4.02Å; V382-F421 HydrophobicContact CG1-CZ 3.57Å; V382-F421 WeakPolarHBondContact O-CE1 3.47Å
383K96.4Very high95.1Very high83 Ų8340.4 Ų40.436%0.36121%0.211SC..Hα-helixtrans-62.2-47.6173.4-73.6171-176.9162.50112E379 D380 V381 I385 N386 D387 V420E379-K383 HydrophobicContact CG-CD 4.43Å; E379-K383 WeakPolarHBondContact O-CG 3.49Å; E379-K383 PolarHBondContact O-N 3.49Å; E379-K383 WeakPolarHBondContact OE1-CE 3.28Å; E379-K383 IonicContact OE1-NZ 2.7Å; E379-K383 PolarHBondContact OE1-NZ 3.42Å; D380-K383 PolarHBondContact O-N 2.97Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 3.43Å; K383-I385 VanDerWaalsContact C-N 3.33Å; K383-I385 PolarHBondContact O-N 3.3Å; K383-N386 WeakPolarHBondContact O-CB 3.4Å; K383-N386 PolarHBondContact O-N 2.9Å; K383-N386 VanDerWaalsContact O-N 3.13Å; K383-D387 PolarHBondContact O-N 3.47Å; K383-D387 VanDerWaalsContact O-N 3.07Å; K383-V420 HydrophobicContact CG-CG1 4.06Å; K383-V420 HydrophobicContact CG-CG2 4.4Å
384A95.8Very high95.7Very high14 Ų1444.4 Ų44.412%0.11623%0.232CC..Hα-helixtrans-59.6-43.8176.400000111.7V343 D380 V381 N386 D387 H388V343-A384 HydrophobicContact CG2-CB 4.21Å; D380-A384 WeakPolarHBondContact O-CB 3.45Å; D380-A384 PolarHBondContact O-N 3.34Å; V381-A384 PolarHBondContact O-N 2.97Å; A384-N386 PolarHBondContact O-N 3.26Å; A384-D387 PolarHBondContact O-N 2.78Å; A384-H388 WeakPolarHBondContact O-CB 3.18Å; A384-H388 PolarHBondContact O-CD2 3.02Å; A384-H388 PolarHBondContact O-N 2.8Å; A384-H388 VanDerWaalsContact O-N 3.1Å
385I98.1Very high96Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-61.2-45.1174.6-69.3168.4000110.5Y342 L346 V353 L355 V381 V382 K383 D387 H388 A389 L397 L399 F421 I447Y342-I385 HydrophobicContact CD1-CD1 3.99Å; Y342-I385 HydrophobicContact CD1-CG1 4.18Å; Y342-I385 HydrophobicContact CE1-CD1 4.26Å; Y342-I385 HydrophobicContact CG-CG1 4.45Å; L346-I385 HydrophobicContact CD1-CG1 4.35Å; V353-I385 HydrophobicContact CG2-CD1 4.42Å; L355-I385 HydrophobicContact CD1-CD1 4.22Å; L355-I385 HydrophobicContact CD2-CD1 4.24Å; V381-I385 HydrophobicContact CG1-CD1 3.83Å; V381-I385 HydrophobicContact CG1-CG1 4.44Å; V381-I385 VanDerWaalsContact O-CG1 3.31Å; V381-I385 WeakPolarHBondContact O-CG1 3.47Å; V381-I385 PolarHBondContact O-N 3.36Å; V382-I385 PolarHBondContact O-N 3.02Å; K383-I385 VanDerWaalsContact C-N 3.33Å; K383-I385 PolarHBondContact O-N 3.3Å; I385-D387 VanDerWaalsContact C-N 3.26Å; I385-D387 PolarHBondContact O-N 2.79Å; I385-H388 PolarHBondContact O-N 2.85Å; I385-A389 HydrophobicContact CG2-CB 4.39Å; I385-A389 WeakPolarHBondContact O-CA 3.39Å; I385-A389 WeakPolarHBondContact O-CB 3.35Å; I385-A389 PolarHBondContact O-N 3.03Å; I385-L397 HydrophobicContact CG2-CD2 3.58Å; I385-L399 HydrophobicContact CD1-CD2 4.14Å; I385-L399 HydrophobicContact CG2-CD2 4.25Å; I385-F421 HydrophobicContact CB-CE1 4.24Å; I385-F421 HydrophobicContact CB-CZ 4.26Å; I385-F421 HydrophobicContact CG2-CE1 3.89Å; I385-F421 HydrophobicContact CG2-CZ 3.8Å; I385-I447 HydrophobicContact CG2-CD1 4.46Å
386N97.4Very high96.2Very high27 Ų2735.7 Ų35.714%0.14419%0.189CC..Hα-helixtrans-57.3-40.6-179.5176.764.1000112.7V382 K383 A384 V420 F421 K424V382-N386 WeakPolarHBondContact O-CB 3.21Å; V382-N386 PolarHBondContact O-N 3.08Å; K383-N386 WeakPolarHBondContact O-CB 3.4Å; K383-N386 PolarHBondContact O-N 2.9Å; K383-N386 VanDerWaalsContact O-N 3.13Å; A384-N386 PolarHBondContact O-N 3.26Å; N386-V420 HydrophobicContact CB-CG1 3.84Å; N386-V420 PolarHBondContact OD1-O 2.76Å; N386-F421 HydrophobicContact CB-CD1 3.81Å; N386-F421 HydrophobicContact CB-CE1 3.88Å; N386-K424 PolarHBondContact O-NZ 2.81Å; N386-K424 WeakPolarHBondContact OD1-CD 3.42Å; N386-K424 PolarHBondContact OD1-NZ 3.29Å
387D94.9Very high96.3Very high98 Ų9834.5 Ų34.552%0.52418%0.182SC..Hα-helixtrans-78.5-30.7-175.4-67-14.4000112.3K383 A384 I385K383-D387 PolarHBondContact O-N 3.47Å; K383-D387 VanDerWaalsContact O-N 3.07Å; A384-D387 PolarHBondContact O-N 2.78Å; I385-D387 VanDerWaalsContact C-N 3.26Å; I385-D387 PolarHBondContact O-N 2.79Å
388H96.2Very high96.5Very high18 Ų1829.9 Ų29.98%0.08316%0.162CC..Hα-helixtrans-110.2-12.5-172.6-64.5-74000115.4E68 V343 L346 A384 I385 F390 V391E68-H388 IonicContact OE1-CE1 3.49Å; E68-H388 PolarHBondContact OE1-CE1 3.46Å; E68-H388 IonicContact OE1-ND1 2.85Å; V343-H388 HydrophobicContact CG1-CB 4.28Å; V343-H388 HydrophobicContact CG2-CB 4.48Å; V343-H388 VanDerWaalsContact CG2-CD2 3.41Å; V343-H388 WeakPolarHBondContact CG2-CD2 3.35Å; L346-H388 HydrophobicContact CD1-CB 4.13Å; A384-H388 WeakPolarHBondContact O-CB 3.18Å; A384-H388 PolarHBondContact O-CD2 3.02Å; A384-H388 PolarHBondContact O-N 2.8Å; A384-H388 VanDerWaalsContact O-N 3.1Å; I385-H388 PolarHBondContact O-N 2.85Å; H388-F390 PolarHBondContact O-N 3.16Å; H388-F390 VanDerWaalsContact O-N 3.08Å; H388-V391 PolarHBondContact O-N 2.49Å
389A96.4Very high96.6Very high0 Ų029.9 Ų29.90%016%0.162CC..THydrogen-bonded Turntrans-50-42.6-174.700000112.6R351 I385 L397 I447R351-A389 PolarHBondContact NH1-O 2.97Å; R351-A389 PolarHBondContact NH2-O 3.18Å; I385-A389 HydrophobicContact CG2-CB 4.39Å; I385-A389 WeakPolarHBondContact O-CA 3.39Å; I385-A389 WeakPolarHBondContact O-CB 3.35Å; I385-A389 PolarHBondContact O-N 3.03Å; A389-L397 HydrophobicContact CB-CD2 3.66Å; A389-I447 HydrophobicContact CB-CD1 4.41Å
390F97.3Very high96.6Very high36 Ų3626.9 Ų26.916%0.15815%0.148CC..THydrogen-bonded Turntrans-113.623.2-172.4-51.9-69.4000114.2H388 S393 F395 K424 G445 I447H388-F390 PolarHBondContact O-N 3.16Å; H388-F390 VanDerWaalsContact O-N 3.08Å; F390-S393 VanDerWaalsContact CA-O 3.24Å; F390-S393 WeakPolarHBondContact CA-O 3.33Å; F390-F395 WeakPolarHBondContact CE1-O 3.24Å; F390-K424 HydrophobicContact CD2-CD 4.46Å; F390-K424 HydrophobicContact CE2-CB 4.41Å; F390-K424 HydrophobicContact CE2-CD 4.08Å; F390-K424 HydrophobicContact CE2-CG 4.28Å; F390-G445 WeakPolarHBondContact CE2-O 3.5Å; F390-G445 WeakPolarHBondContact CZ-O 3.24Å; F390-I447 HydrophobicContact CE2-CD1 4.35Å; F390-I447 HydrophobicContact CE2-CG1 4.05Å; F390-I447 HydrophobicContact CZ-CG1 3.8Å
391V93.9Very high96.6Very high76 Ų7623.9 Ų23.946%0.46113%0.132SC..THydrogen-bonded Turntrans-78.3-44.6179.9175.40000112R347 H388R347-V391 VanDerWaalsContact NH1-CG1 3.35Å; H388-V391 PolarHBondContact O-N 2.49Å
392A93.1Very high96.3Very high44 Ų4428.1 Ų28.136%0.36415%0.152SC..SBendtrans-90.6-23.7179.300000113.3R347R347-A392 WeakPolarHBondContact O-CB 3.28Å
393S95.4Very high95.8Very high6 Ų629.2 Ų29.24%0.04216%0.157CC..  trans-153.7131.4-175.9172.30000110.5R351 F390 F395 S1027R351-S393 PolarHBondContact NH1-O 2.96Å; F390-S393 VanDerWaalsContact CA-O 3.24Å; F390-S393 WeakPolarHBondContact CA-O 3.33Å; S393-F395 VanDerWaalsContact C-N 3.25Å; S393-F395 PolarHBondContact O-N 3.3Å; S393-F395 PolarHBondContact OG-N 3.48Å; S393-S1027 WeakPolarHBondContact CB-O 3.34Å; S393-S1027 PolarHBondContact OG-O 3.44Å
394D95.6Very high95.4Very high85 Ų8528.7 Ų28.746%0.45516%0.156SC..  trans-79-8.9177.8-64.8-17.7000113R444 G445D394-R444 HydrophobicContact CB-CG 3.81Å; D394-R444 CarbonylContact O-C 3.59Å; D394-R444 WeakPolarHBondContact O-CA 3.22Å; D394-R444 WeakPolarHBondContact O-CG 3.27Å; D394-G445 PolarHBondContact O-N 3.04Å
395F97.4Very high94.7Very high4 Ų428.4 Ų28.42%0.01815%0.153CC..SBendtrans-76158.8-175.8-67.6-68.4000112.3I306 M311 R351 F390 S393 P440 Y1029I306-F395 HydrophobicContact CD1-CE2 4.19Å; I306-F395 HydrophobicContact CG2-CE2 4.08Å; I306-F395 HydrophobicContact CG2-CZ 4.09Å; M311-F395 HydrophobicContact CB-CE1 3.94Å; M311-F395 HydrophobicContact CB-CZ 4.1Å; M311-F395 HydrophobicContact CE-CD1 3.4Å; M311-F395 VanDerWaalsContact CE-CD1 3.4Å; M311-F395 HydrophobicContact CE-CD2 3.7Å; M311-F395 HydrophobicContact CE-CE1 3.31Å; M311-F395 HydrophobicContact CE-CE2 3.58Å; M311-F395 HydrophobicContact CE-CG 3.59Å; M311-F395 HydrophobicContact CE-CZ 3.39Å; M311-F395 HydrophobicContact CG-CE1 3.94Å; M311-F395 HydrophobicContact CG-CE2 4.41Å; M311-F395 HydrophobicContact CG-CZ 3.64Å; M311-F395 HydrophobicContact SD-CE1 4.47Å; M311-F395 HydrophobicContact SD-CZ 4.27Å; R351-F395 PolarHBondContact NH1-O 2.92Å; F390-F395 WeakPolarHBondContact CE1-O 3.24Å; S393-F395 VanDerWaalsContact C-N 3.25Å; S393-F395 PolarHBondContact O-N 3.3Å; S393-F395 PolarHBondContact OG-N 3.48Å; F395-P440 HydrophobicContact CD1-CB 3.75Å; F395-P440 HydrophobicContact CE1-CB 4.28Å; F395-Y1029 HydrophobicContact CB-CD2 3.64Å; F395-Y1029 HydrophobicContact CB-CE2 3.71Å; F395-Y1029 HydrophobicContact CG-CD2 4.32Å
396P97.9Very high94Very high0 Ų030.8 Ų30.80%017%0.169CC..  trans-55.1150.4-170.218.9-33.9000114.4P440 L443 K446 I448 Y1029P396-P440 WeakPolarHBondContact CD-O 3.39Å; P396-L443 HydrophobicContact CB-CB 3.84Å; P396-L443 WeakPolarHBondContact CB-O 3.38Å; P396-L443 WeakPolarHBondContact CD-O 3.24Å; P396-L443 HydrophobicContact CG-CB 3.68Å; P396-K446 WeakPolarHBondContact CA-O 3.31Å; P396-I448 HydrophobicContact CB-CD1 4.09Å; P396-Y1029 HydrophobicContact CG-CE2 4.22Å; P396-Y1029 WeakPolarHBondContact O-CE2 3.23Å; P396-Y1029 PolarHBondContact O-OH 3.13Å
397L98.6Very high93.3Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-113.1129174.6177.165.2000109.9L346 V353 I385 A389 L399 K446 I447 I448L346-L397 HydrophobicContact CD2-CD1 3.52Å; L346-L397 HydrophobicContact CD2-CD2 3.75Å; L346-L397 HydrophobicContact CD2-CG 4.3Å; V353-L397 HydrophobicContact CG1-CD1 4.49Å; V353-L397 HydrophobicContact CG2-CD1 4.33Å; I385-L397 HydrophobicContact CG2-CD2 3.58Å; A389-L397 HydrophobicContact CB-CD2 3.66Å; L397-L399 HydrophobicContact CD2-CD2 3.88Å; L397-L399 HydrophobicContact CG-CD2 3.94Å; L397-K446 PolarHBondContact N-O 3.03Å; L397-I447 HydrophobicContact CB-CG1 4.45Å; L397-I447 CarbonylContact O-C 3.57Å; L397-I447 WeakPolarHBondContact O-CA 3.47Å; L397-I448 PolarHBondContact O-N 2.66Å
398I98.6Very high92.7Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-99.4128.7174.9-57.7171.9000109.3L315 I320 R351 C352 V353 I448 K450 M1002L315-I398 HydrophobicContact CD2-CD1 4.5Å; I320-I398 HydrophobicContact CD1-CD1 4.18Å; R351-I398 PolarHBondContact O-N 2.98Å; C352-I398 VanDerWaalsContact CA-O 3.28Å; C352-I398 WeakPolarHBondContact CA-O 3.4Å; C352-I398 HydrophobicContact CB-CB 4.24Å; V353-I398 PolarHBondContact N-O 3.03Å; I398-I448 CarbonylContact C-O 3.58Å; I398-I448 WeakPolarHBondContact CA-O 3.21Å; I398-I448 HydrophobicContact CG1-CB 4.35Å; I398-I448 HydrophobicContact CG1-CD1 4.41Å; I398-K450 HydrophobicContact CG2-CB 4.2Å; I398-M1002 HydrophobicContact CD1-SD 3.91Å; I398-M1002 HydrophobicContact CG2-SD 4.38Å
399L98.4Very high92.3Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-103.1110.2172.4-54.6-170.4000109.3V353 L355 I385 L397 I401 F417 F421 I447 I448 L449 K450V353-L399 HydrophobicContact CG2-CD2 3.35Å; L355-L399 HydrophobicContact CD1-CB 4.11Å; L355-L399 HydrophobicContact CD1-CD2 4.22Å; I385-L399 HydrophobicContact CD1-CD2 4.14Å; I385-L399 HydrophobicContact CG2-CD2 4.25Å; L397-L399 HydrophobicContact CD2-CD2 3.88Å; L397-L399 HydrophobicContact CG-CD2 3.94Å; L399-I401 PolarHBondContact O-N 3.31Å; L399-F417 HydrophobicContact CD1-CE1 3.92Å; L399-F417 HydrophobicContact CD1-CZ 4.48Å; L399-F421 HydrophobicContact CD1-CE2 3.62Å; L399-F421 HydrophobicContact CD1-CZ 3.76Å; L399-I447 HydrophobicContact CD1-CG2 3.7Å; L399-I447 HydrophobicContact CD2-CG2 4.41Å; L399-I447 HydrophobicContact CG-CG2 3.72Å; L399-I448 PolarHBondContact N-O 3.33Å; L399-L449 HydrophobicContact CB-CD2 3.96Å; L399-L449 HydrophobicContact CD1-CD2 3.77Å; L399-L449 HydrophobicContact CG-CD2 4.12Å; L399-K450 WeakPolarHBondContact O-CB 3.43Å; L399-K450 PolarHBondContact O-N 2.86Å
400S97.4Very high91.8Very high1 Ų136.7 Ų36.71%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-82.7104.3172.1-176.40000109.1V353 E354 L355 K450V353-S400 PolarHBondContact O-N 2.8Å; E354-S400 WeakPolarHBondContact CA-O 3.4Å; L355-S400 PolarHBondContact N-O 3.11Å; S400-K450 PolarHBondContact OG-NZ 3.01Å
401I95.4Very high91.4Very high9 Ų939.5 Ų39.55%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-95.9114.7-178-52175.6000108.7L399 E403 M413 F417 L449 K450 H451 M925L399-I401 PolarHBondContact O-N 3.31Å; I401-E403 HydrophobicContact CG2-CB 4.25Å; I401-M413 HydrophobicContact CG2-CE 4.01Å; I401-F417 HydrophobicContact CD1-CE2 3.55Å; I401-F417 HydrophobicContact CD1-CZ 3.61Å; I401-F417 HydrophobicContact CG1-CZ 4.46Å; I401-L449 HydrophobicContact CD1-CB 4.41Å; I401-L449 HydrophobicContact CD1-CD1 4.39Å; I401-L449 HydrophobicContact CD1-CD2 4.35Å; I401-K450 PolarHBondContact N-O 3.06Å; I401-K450 VanDerWaalsContact N-O 3.07Å; I401-H451 HydrophobicContact CB-CB 4.31Å; I401-H451 HydrophobicContact CD1-CB 4.28Å; I401-M925 HydrophobicContact CD1-CE 3.96Å
402E91.3Very high91.3Very high89 Ų8938.6 Ų38.642%0.41619%0.194SC..EExtended strand (participates in β ladder)trans-92.3124.5161.9-162.9174.7136.200108.2L355 D356 C357 H404L355-E402 PolarHBondContact O-N 3.41Å; D356-E402 WeakPolarHBondContact OD1-CB 3.4Å; C357-E402 PolarHBondContact N-O 3.37Å; E402-H404 WeakPolarHBondContact CG-NE2 3.47Å; E402-H404 IonicContact OE1-CE1 3.46Å; E402-H404 PolarHBondContact OE1-CE1 3.2Å; E402-H404 IonicContact OE1-NE2 3.84Å; E402-H404 PolarHBondContact OE1-NE2 3.38Å
403E87.1Confident91.4Very high24 Ų2436.5 Ų36.511%0.11218%0.177CC..EExtended strand (participates in β ladder)trans-125.9125-163.1-175.6-76.4140.300110.1I401 C405 Q410 H451I401-E403 HydrophobicContact CG2-CB 4.25Å; E403-C405 WeakPolarHBondContact OE1-CA 3.27Å; E403-C405 WeakPolarHBondContact OE1-CB 3.4Å; E403-C405 PolarHBondContact OE1-N 2.95Å; E403-Q410 HydrophobicContact CG-CG 4.17Å; E403-Q410 WeakPolarHBondContact OE1-CG 3.46Å; E403-Q410 PolarHBondContact OE1-NE2 2.94Å; E403-Q410 PolarHBondContact OE2-NE2 3.35Å; E403-H451 WeakPolarHBondContact CB-CE1 3.3Å
404H86.9Confident91.2Very high71 Ų7136.3 Ų36.333%0.32918%0.176SC..EExtended strand (participates in β ladder)trans-135.423-178.8-55.4-79.2000111.3C357 W358 E402C357-H404 PolarHBondContact O-N 3.08Å; W358-H404 HydrophobicContact CD2-CB 3.72Å; W358-H404 AromaticContact CD2-CD2 3.93Å; W358-H404 AromaticContact CE2-CD2 3.33Å; W358-H404 AromaticContact CE2-CG 3.77Å; W358-H404 AromaticContact CE2-NE2 3.99Å; W358-H404 HydrophobicContact CE3-CB 3.54Å; W358-H404 HydrophobicContact CG-CB 4.36Å; W358-H404 HydrophobicContact CH2-CB 4.01Å; W358-H404 AromaticContact CH2-CD2 3.83Å; W358-H404 AromaticContact CH2-CG 3.62Å; W358-H404 AromaticContact CH2-ND1 3.79Å; W358-H404 HydrophobicContact CZ2-CB 4.17Å; W358-H404 AromaticContact CZ2-CD2 3.27Å; W358-H404 WeakPolarHBondContact CZ2-CD2 3.43Å; W358-H404 AromaticContact CZ2-CE1 3.93Å; W358-H404 AromaticContact CZ2-CG 3.57Å; W358-H404 AromaticContact CZ2-ND1 4Å; W358-H404 AromaticContact CZ2-NE2 3.5Å; W358-H404 HydrophobicContact CZ3-CB 3.71Å; W358-H404 AromaticContact CZ3-CG 3.87Å; W358-H404 AromaticContact NE1-CD2 3.7Å; E402-H404 WeakPolarHBondContact CG-NE2 3.47Å; E402-H404 IonicContact OE1-CE1 3.46Å; E402-H404 PolarHBondContact OE1-CE1 3.2Å; E402-H404 IonicContact OE1-NE2 3.84Å; E402-H404 PolarHBondContact OE1-NE2 3.38Å
405C81.7Confident91.1Very high9 Ų940 Ų406%0.06118%0.184CC..  trans-93.5150.5-175.5-68.70000111.5C357 W358 E403 Q409 Q410 M413C357-C405 VanDerWaalsContact C-SG 3.53Å; C357-C405 PolarHBondContact O-SG 3.41Å; W358-C405 PolarHBondContact O-SG 3.41Å; E403-C405 WeakPolarHBondContact OE1-CA 3.27Å; E403-C405 WeakPolarHBondContact OE1-CB 3.4Å; E403-C405 PolarHBondContact OE1-N 2.95Å; C405-Q409 HydrophobicContact CB-CB 4.07Å; C405-Q410 HydrophobicContact CB-CG 4.07Å; C405-Q410 PolarHBondContact O-NE2 3.4Å; C405-M413 HydrophobicContact CB-SD 4.28Å
406P82.9Confident91.1Very high50 Ų5040.5 Ų40.533%0.32519%0.186SC..  trans-65.1155.5167.327.7-34.1000111E359 E408 Q409 Q410E359-P406 HydrophobicContact CG-CG 4.15Å; P406-E408 PolarHBondContact O-N 3.12Å; P406-Q409 HydrophobicContact CG-CB 4.1Å; P406-Q409 HydrophobicContact CG-CG 4.08Å; P406-Q409 PolarHBondContact O-N 3.17Å; P406-Q410 PolarHBondContact O-N 3.4Å
407I83.3Confident91Very high87 Ų8740.5 Ų40.545%0.44619%0.186SC..Hα-helixtrans-51-36.2-177.5-66.7174.6000112.6Q410 R411 A922I407-Q410 PolarHBondContact O-N 3.1Å; I407-R411 WeakPolarHBondContact O-CG 3.47Å; I407-R411 PolarHBondContact O-N 3.12Å; I407-A922 HydrophobicContact CG2-CB 4.15Å
408E82.4Confident90.8Very high154 Ų15445.2 Ų45.272%0.7221%0.207SC*.Hα-helixtrans-64-44.6178.3-64.9-176.8170.500112.3P406 R411 Q412P406-E408 PolarHBondContact O-N 3.12Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.13Å; E408-Q412 PolarHBondContact O-N 2.87Å; E408-Q412 VanDerWaalsContact O-N 3.13Å
409Q87.4Confident90.7Very high17 Ų1751.6 Ų51.68%0.07924%0.241CC..Hα-helixtrans-72.4-32.6175.7-72.8-162.918.100111.6G360 P364 C405 P406 R411 Q412 M413G360-Q409 PolarHBondContact O-NE2 2.8Å; P364-Q409 HydrophobicContact CG-CB 4.12Å; C405-Q409 HydrophobicContact CB-CB 4.07Å; P406-Q409 HydrophobicContact CG-CB 4.1Å; P406-Q409 HydrophobicContact CG-CG 4.08Å; P406-Q409 PolarHBondContact O-N 3.17Å; Q409-R411 VanDerWaalsContact C-N 3.32Å; Q409-R411 PolarHBondContact O-N 3.39Å; Q409-Q412 CarbonylContact O-C 3.54Å; Q409-Q412 WeakPolarHBondContact O-CA 3.4Å; Q409-Q412 WeakPolarHBondContact O-CB 3.33Å; Q409-Q412 PolarHBondContact O-N 2.9Å; Q409-Q412 VanDerWaalsContact O-N 3.11Å; Q409-M413 WeakPolarHBondContact O-CG 3.4Å; Q409-M413 PolarHBondContact O-N 3.31Å
410Q86.8Confident90.6Very high8 Ų853.2 Ų53.24%0.03725%0.251CS..Hα-helixtrans-59.7-40.9169.4-66.4-179.327.200112E403 C405 P406 I407 Q412 M413 A414 A922 M925E403-Q410 HydrophobicContact CG-CG 4.17Å; E403-Q410 WeakPolarHBondContact OE1-CG 3.46Å; E403-Q410 PolarHBondContact OE1-NE2 2.94Å; E403-Q410 PolarHBondContact OE2-NE2 3.35Å; C405-Q410 HydrophobicContact CB-CG 4.07Å; C405-Q410 PolarHBondContact O-NE2 3.4Å; P406-Q410 PolarHBondContact O-N 3.4Å; I407-Q410 PolarHBondContact O-N 3.1Å; Q410-Q412 VanDerWaalsContact C-N 3.31Å; Q410-Q412 PolarHBondContact O-N 3.31Å; Q410-M413 WeakPolarHBondContact O-CB 3.46Å; Q410-M413 PolarHBondContact O-N 3.12Å; Q410-A414 PolarHBondContact O-N 2.68Å; Q410-A922 HydrophobicContact CB-CB 3.77Å; Q410-M925 HydrophobicContact CB-CG 4.08Å; Q410-M925 VanDerWaalsContact O-CG 3.23Å; Q410-M925 WeakPolarHBondContact O-CG 3.38Å
411R87.1Confident90.6Very high96 Ų9653.4 Ų53.436%0.36225%0.251SS..Hα-helixtrans-63.5-38173.6-71-178-175.4126.92.1112I407 E408 Q409 A414 R415 A922 E924I407-R411 WeakPolarHBondContact O-CG 3.47Å; I407-R411 PolarHBondContact O-N 3.12Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.13Å; Q409-R411 VanDerWaalsContact C-N 3.32Å; Q409-R411 PolarHBondContact O-N 3.39Å; R411-A414 PolarHBondContact O-N 2.79Å; R411-R415 WeakPolarHBondContact O-CG 3.41Å; R411-R415 PolarHBondContact O-N 3.5Å; R411-A922 HydrophobicContact CG-CB 4.36Å; R411-E924 WeakPolarHBondContact CD-OE1 3.2Å; R411-E924 IonicContact NE-OE1 3.17Å; R411-E924 PolarHBondContact NE-OE1 2.93Å; R411-E924 IonicContact NE-OE2 3.66Å
412Q92.3Very high90.6Very high56 Ų5654.8 Ų54.826%0.26227%0.268SS..Hα-helixtrans-64-43.2174.1-175.5176.9-7.200111.1G362 E408 Q409 Q410 A414 R415 I416G362-Q412 PolarHBondContact O-OE1 2.78Å; E408-Q412 PolarHBondContact O-N 2.87Å; E408-Q412 VanDerWaalsContact O-N 3.13Å; Q409-Q412 CarbonylContact O-C 3.54Å; Q409-Q412 WeakPolarHBondContact O-CA 3.4Å; Q409-Q412 WeakPolarHBondContact O-CB 3.33Å; Q409-Q412 PolarHBondContact O-N 2.9Å; Q409-Q412 VanDerWaalsContact O-N 3.11Å; Q410-Q412 VanDerWaalsContact C-N 3.31Å; Q410-Q412 PolarHBondContact O-N 3.31Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 2.83Å; Q412-R415 PolarHBondContact O-N 3.5Å; Q412-I416 HydrophobicContact CG-CD1 3.85Å; Q412-I416 HydrophobicContact CG-CG1 4.44Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.35Å; Q412-I416 PolarHBondContact O-N 2.89Å
413M94.6Very high90.8Very high0 Ų057.6 Ų57.60%029%0.286CS..Hα-helixtrans-57.3-46.3173.5-66167.764.500111.5C357 P364 F378 I401 C405 Q409 Q410 R415 I416 F417 M925C357-M413 HydrophobicContact CB-CE 3.61Å; C357-M413 HydrophobicContact CB-SD 4.06Å; C357-M413 WeakPolarHBondContact SG-CE 3.47Å; P364-M413 HydrophobicContact CB-CG 4.03Å; P364-M413 HydrophobicContact CB-SD 4.39Å; P364-M413 HydrophobicContact CG-CG 3.59Å; P364-M413 HydrophobicContact CG-SD 4.44Å; F378-M413 HydrophobicContact CD1-CG 4.14Å; F378-M413 HydrophobicContact CD2-CE 4.36Å; F378-M413 HydrophobicContact CD2-CG 4.49Å; F378-M413 HydrophobicContact CE1-CB 3.87Å; F378-M413 HydrophobicContact CE1-CG 3.86Å; F378-M413 HydrophobicContact CE2-CE 3.77Å; F378-M413 HydrophobicContact CE2-CG 4.24Å; F378-M413 HydrophobicContact CG-CG 4.44Å; F378-M413 HydrophobicContact CZ-CB 3.86Å; F378-M413 HydrophobicContact CZ-CE 4.07Å; F378-M413 HydrophobicContact CZ-CG 3.91Å; I401-M413 HydrophobicContact CG2-CE 4.01Å; C405-M413 HydrophobicContact CB-SD 4.28Å; Q409-M413 WeakPolarHBondContact O-CG 3.4Å; Q409-M413 PolarHBondContact O-N 3.31Å; Q410-M413 WeakPolarHBondContact O-CB 3.46Å; Q410-M413 PolarHBondContact O-N 3.12Å; M413-R415 VanDerWaalsContact C-N 3.32Å; M413-R415 PolarHBondContact O-N 3.03Å; M413-I416 PolarHBondContact O-N 3.39Å; M413-F417 VanDerWaalsContact O-CD2 3.25Å; M413-F417 WeakPolarHBondContact O-CD2 3.46Å; M413-F417 PolarHBondContact O-N 3.33Å; M413-M925 HydrophobicContact CB-SD 4Å; M413-M925 HydrophobicContact CE-CE 4.41Å
414A92.3Very high91.2Very high3 Ų359.7 Ų59.73%0.02530%0.295CS..Hα-helixtrans-60.8-39.8177.900000112.6Q410 R411 Q412 K418 E924 M925 L928Q410-A414 PolarHBondContact O-N 2.68Å; R411-A414 PolarHBondContact O-N 2.79Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 2.83Å; A414-K418 WeakPolarHBondContact O-CG 3.26Å; A414-K418 PolarHBondContact O-N 3.38Å; A414-K418 VanDerWaalsContact O-N 3.16Å; A414-E924 HydrophobicContact CB-CB 3.84Å; A414-M925 HydrophobicContact CB-CG 3.97Å; A414-M925 HydrophobicContact CB-SD 3.66Å; A414-M925 PolarHBondContact N-SD 2.91Å; A414-L928 HydrophobicContact CB-CD1 4.06Å
415R93.6Very high91.7Very high162 Ų16257 Ų5761%0.61128%0.282SS*.Hα-helixtrans-65.3-50.6175.1-71172.9-171.9168.72.5111.1R411 Q412 M413 F417 K418 D419R411-R415 WeakPolarHBondContact O-CG 3.41Å; R411-R415 PolarHBondContact O-N 3.5Å; Q412-R415 PolarHBondContact O-N 3.5Å; M413-R415 VanDerWaalsContact C-N 3.32Å; M413-R415 PolarHBondContact O-N 3.03Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.02Å; R415-K418 PolarHBondContact O-N 3.15Å; R415-K418 VanDerWaalsContact O-N 3.07Å; R415-D419 WeakPolarHBondContact O-CB 3.41Å; R415-D419 PolarHBondContact O-N 2.87Å
416I96.3Very high92.3Very high14 Ų1457.1 Ų57.17%0.07228%0.282CS..Hα-helixtrans-56.2-44.5178.1-69.8167000110.7F378 E379 V382 Q412 M413 K418 D419 V420F378-I416 HydrophobicContact CD1-CB 4.46Å; F378-I416 HydrophobicContact CD1-CD1 3.87Å; F378-I416 HydrophobicContact CD1-CG2 4.11Å; F378-I416 HydrophobicContact CE1-CB 3.97Å; F378-I416 HydrophobicContact CE1-CD1 4.17Å; F378-I416 HydrophobicContact CE1-CG2 3.74Å; E379-I416 HydrophobicContact CB-CD1 4.17Å; E379-I416 HydrophobicContact CB-CG2 4.46Å; E379-I416 HydrophobicContact CG-CD1 4.41Å; E379-I416 HydrophobicContact CG-CG2 4.15Å; V382-I416 HydrophobicContact CB-CG2 4.08Å; V382-I416 HydrophobicContact CG1-CG2 4.09Å; V382-I416 HydrophobicContact CG2-CG2 4.17Å; Q412-I416 HydrophobicContact CG-CD1 3.85Å; Q412-I416 HydrophobicContact CG-CG1 4.44Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.35Å; Q412-I416 PolarHBondContact O-N 2.89Å; M413-I416 PolarHBondContact O-N 3.39Å; I416-K418 PolarHBondContact O-N 3Å; I416-D419 PolarHBondContact O-N 2.87Å; I416-V420 HydrophobicContact CG2-CG2 4.06Å; I416-V420 VanDerWaalsContact O-CB 3.26Å; I416-V420 WeakPolarHBondContact O-CB 3.04Å; I416-V420 VanDerWaalsContact O-CG2 3.28Å; I416-V420 WeakPolarHBondContact O-CG2 3.44Å; I416-V420 PolarHBondContact O-N 3.32Å
417F96.9Very high92.5Very high0 Ų057.1 Ų57.10%029%0.287CS..Hα-helixtrans-59.8-46176.1-78.2-47.2000112.6F378 V382 L399 I401 M413 R415 F421 L425 L449 M925 L928F378-F417 HydrophobicContact CE2-CE1 4.32Å; F378-F417 HydrophobicContact CE2-CE2 4.24Å; F378-F417 AromaticContact CE2-CZ 3.8Å; F378-F417 HydrophobicContact CE2-CZ 3.8Å; F378-F417 HydrophobicContact CZ-CD1 4.26Å; F378-F417 HydrophobicContact CZ-CD2 4.14Å; F378-F417 AromaticContact CZ-CE1 3.73Å; F378-F417 HydrophobicContact CZ-CE1 3.73Å; F378-F417 AromaticContact CZ-CE2 3.58Å; F378-F417 HydrophobicContact CZ-CE2 3.58Å; F378-F417 HydrophobicContact CZ-CG 4.47Å; F378-F417 AromaticContact CZ-CZ 3.38Å; F378-F417 HydrophobicContact CZ-CZ 3.38Å; V382-F417 HydrophobicContact CG1-CD1 4.01Å; V382-F417 HydrophobicContact CG1-CE1 4.39Å; V382-F417 HydrophobicContact CG2-CD1 4.01Å; V382-F417 HydrophobicContact CG2-CE1 3.71Å; L399-F417 HydrophobicContact CD1-CE1 3.92Å; L399-F417 HydrophobicContact CD1-CZ 4.48Å; I401-F417 HydrophobicContact CD1-CE2 3.55Å; I401-F417 HydrophobicContact CD1-CZ 3.61Å; I401-F417 HydrophobicContact CG1-CZ 4.46Å; M413-F417 VanDerWaalsContact O-CD2 3.25Å; M413-F417 WeakPolarHBondContact O-CD2 3.46Å; M413-F417 PolarHBondContact O-N 3.33Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.02Å; F417-F421 HydrophobicContact CB-CD2 4.43Å; F417-F421 AromaticContact CD1-CD2 3.75Å; F417-F421 HydrophobicContact CD1-CD2 3.75Å; F417-F421 AromaticContact CD1-CE2 3.3Å; F417-F421 HydrophobicContact CD1-CE2 3.3Å; F417-F421 HydrophobicContact CD1-CZ 4.15Å; F417-F421 AromaticContact CE1-CE2 3.66Å; F417-F421 HydrophobicContact CE1-CE2 3.66Å; F417-F421 HydrophobicContact CE1-CZ 4.26Å; F417-F421 HydrophobicContact CG-CE2 4.41Å; F417-F421 VanDerWaalsContact O-CB 3.27Å; F417-F421 WeakPolarHBondContact O-CB 3.35Å; F417-F421 PolarHBondContact O-N 2.9Å; F417-L425 HydrophobicContact CB-CD2 4.13Å; F417-L449 HydrophobicContact CD2-CD1 3.82Å; F417-L449 HydrophobicContact CE1-CD2 4.3Å; F417-L449 HydrophobicContact CE2-CD1 4.02Å; F417-L449 HydrophobicContact CG-CD1 4.2Å; F417-L449 HydrophobicContact CZ-CD2 4.28Å; F417-M925 HydrophobicContact CD2-CE 4.36Å; F417-M925 HydrophobicContact CD2-SD 4.18Å; F417-M925 HydrophobicContact CE2-CE 4Å; F417-M925 HydrophobicContact CE2-SD 4.34Å; F417-L928 HydrophobicContact CB-CD1 4.24Å
418K95.1Very high92.6Very high100 Ų10060.2 Ų60.244%0.43530%0.299SS..Hα-helixtrans-65.1-45.7178.5-72.7177.3-179-178.30111.8A414 R415 I416 G422 L425 L928A414-K418 WeakPolarHBondContact O-CG 3.26Å; A414-K418 PolarHBondContact O-N 3.38Å; A414-K418 VanDerWaalsContact O-N 3.16Å; R415-K418 PolarHBondContact O-N 3.15Å; R415-K418 VanDerWaalsContact O-N 3.07Å; I416-K418 PolarHBondContact O-N 3Å; K418-G422 WeakPolarHBondContact O-CA 3.28Å; K418-G422 PolarHBondContact O-N 3.03Å; K418-L425 HydrophobicContact CG-CD2 4.19Å; K418-L928 HydrophobicContact CD-CD2 4.39Å; K418-L928 HydrophobicContact CG-CD1 4.48Å; K418-L928 HydrophobicContact CG-CD2 4.06Å
419D95.8Very high92.8Very high134 Ų13455.4 Ų55.472%0.71728%0.282SS*.Hα-helixtrans-70.2-41.5-174.8-65.5-16.7000111.7R415 I416R415-D419 WeakPolarHBondContact O-CB 3.41Å; R415-D419 PolarHBondContact O-N 2.87Å; I416-D419 PolarHBondContact O-N 2.87Å
420V97.1Very high92.9Very high33 Ų3357.7 Ų57.720%0.230%0.297CS..Hα-helixtrans-83.9-45-175.4179.40000112.2V382 K383 N386 I416V382-V420 HydrophobicContact CG1-CB 3.81Å; V382-V420 HydrophobicContact CG1-CG1 3.81Å; V382-V420 HydrophobicContact CG1-CG2 4.33Å; K383-V420 HydrophobicContact CG-CG1 4.06Å; K383-V420 HydrophobicContact CG-CG2 4.4Å; N386-V420 HydrophobicContact CB-CG1 3.84Å; N386-V420 PolarHBondContact OD1-O 2.76Å; I416-V420 HydrophobicContact CG2-CG2 4.06Å; I416-V420 VanDerWaalsContact O-CB 3.26Å; I416-V420 WeakPolarHBondContact O-CB 3.04Å; I416-V420 VanDerWaalsContact O-CG2 3.28Å; I416-V420 WeakPolarHBondContact O-CG2 3.44Å; I416-V420 PolarHBondContact O-N 3.32Å
421F97.3Very high92.8Very high5 Ų562.8 Ų62.82%0.02232%0.32CS..Hα-helixtrans-82.5-27.1-178.4-64.8-32.5000113.2V382 I385 N386 L399 F417 D423 K424 L425 I447V382-F421 HydrophobicContact CB-CZ 4.49Å; V382-F421 HydrophobicContact CG1-CD1 4.15Å; V382-F421 HydrophobicContact CG1-CD2 4.47Å; V382-F421 HydrophobicContact CG1-CE1 3.63Å; V382-F421 HydrophobicContact CG1-CE2 4.02Å; V382-F421 HydrophobicContact CG1-CZ 3.57Å; V382-F421 WeakPolarHBondContact O-CE1 3.47Å; I385-F421 HydrophobicContact CB-CE1 4.24Å; I385-F421 HydrophobicContact CB-CZ 4.26Å; I385-F421 HydrophobicContact CG2-CE1 3.89Å; I385-F421 HydrophobicContact CG2-CZ 3.8Å; N386-F421 HydrophobicContact CB-CD1 3.81Å; N386-F421 HydrophobicContact CB-CE1 3.88Å; L399-F421 HydrophobicContact CD1-CE2 3.62Å; L399-F421 HydrophobicContact CD1-CZ 3.76Å; F417-F421 HydrophobicContact CB-CD2 4.43Å; F417-F421 AromaticContact CD1-CD2 3.75Å; F417-F421 HydrophobicContact CD1-CD2 3.75Å; F417-F421 AromaticContact CD1-CE2 3.3Å; F417-F421 HydrophobicContact CD1-CE2 3.3Å; F417-F421 HydrophobicContact CD1-CZ 4.15Å; F417-F421 AromaticContact CE1-CE2 3.66Å; F417-F421 HydrophobicContact CE1-CE2 3.66Å; F417-F421 HydrophobicContact CE1-CZ 4.26Å; F417-F421 HydrophobicContact CG-CE2 4.41Å; F417-F421 VanDerWaalsContact O-CB 3.27Å; F417-F421 WeakPolarHBondContact O-CB 3.35Å; F417-F421 PolarHBondContact O-N 2.9Å; F421-D423 PolarHBondContact O-N 3.22Å; F421-K424 HydrophobicContact CB-CB 4.39Å; F421-K424 VanDerWaalsContact O-CB 3.27Å; F421-K424 WeakPolarHBondContact O-CB 3.3Å; F421-K424 PolarHBondContact O-N 2.8Å; F421-L425 HydrophobicContact CB-CB 3.88Å; F421-L425 HydrophobicContact CD2-CD1 4.29Å; F421-I447 HydrophobicContact CB-CD1 4.47Å; F421-I447 HydrophobicContact CD1-CD1 3.55Å; F421-I447 HydrophobicContact CD2-CD1 4.06Å; F421-I447 HydrophobicContact CD2-CG2 4.25Å; F421-I447 HydrophobicContact CE1-CD1 3.6Å; F421-I447 HydrophobicContact CE2-CD1 4.07Å; F421-I447 HydrophobicContact CE2-CG2 3.9Å; F421-I447 HydrophobicContact CG-CD1 3.79Å; F421-I447 HydrophobicContact CZ-CD1 3.86Å; F421-I447 HydrophobicContact CZ-CG2 4.36Å
422G95.5Very high92.2Very high39 Ų3966.5 Ų66.540%0.40234%0.342SS..G310 helixtrans48.8-126.5-177.800000111.9K418 K424 L425K418-G422 WeakPolarHBondContact O-CA 3.28Å; K418-G422 PolarHBondContact O-N 3.03Å; G422-K424 PolarHBondContact O-N 3.2Å; G422-K424 VanDerWaalsContact O-N 3.13Å; G422-L425 WeakPolarHBondContact O-CB 3.47Å; G422-L425 PolarHBondContact O-N 3.44Å; G422-L425 VanDerWaalsContact O-N 3.07Å
423D93.8Very high91.5Very high148 Ų14871.3 Ų71.379%0.79137%0.369SS*.G310 helixtrans-64.5-16-179.1-63.1-28.7000114.6F421 L425 K446F421-D423 PolarHBondContact O-N 3.22Å; D423-L425 VanDerWaalsContact C-N 3.28Å; D423-K446 PolarHBondContact O-NZ 3Å
424K97.1Very high91Very high68 Ų6872.3 Ų72.330%0.29638%0.377SS..G310 helixtrans-71-27.7174.8-61.7170.6-179.8171.30111.1N386 F390 F421 G422 L426 K446 I447N386-K424 PolarHBondContact O-NZ 2.81Å; N386-K424 WeakPolarHBondContact OD1-CD 3.42Å; N386-K424 PolarHBondContact OD1-NZ 3.29Å; F390-K424 HydrophobicContact CD2-CD 4.46Å; F390-K424 HydrophobicContact CE2-CB 4.41Å; F390-K424 HydrophobicContact CE2-CD 4.08Å; F390-K424 HydrophobicContact CE2-CG 4.28Å; F421-K424 HydrophobicContact CB-CB 4.39Å; F421-K424 VanDerWaalsContact O-CB 3.27Å; F421-K424 WeakPolarHBondContact O-CB 3.3Å; F421-K424 PolarHBondContact O-N 2.8Å; G422-K424 PolarHBondContact O-N 3.2Å; G422-K424 VanDerWaalsContact O-N 3.13Å; K424-L426 PolarHBondContact O-N 2.99Å; K424-K446 CarbonylContact O-C 3.52Å; K424-K446 VanDerWaalsContact O-CA 3.26Å; K424-K446 WeakPolarHBondContact O-CA 3.47Å; K424-I447 HydrophobicContact CB-CD1 4.21Å; K424-I447 HydrophobicContact CB-CG1 4.35Å; K424-I447 PolarHBondContact O-N 3.34Å
425L97.3Very high90.7Very high13 Ų1380 Ų807%0.06841%0.412CS..BIsolated β-bridgetrans-72.2128.8179-177.959.6000110.7F417 K418 F421 G422 D423 A427 L449 L928F417-L425 HydrophobicContact CB-CD2 4.13Å; K418-L425 HydrophobicContact CG-CD2 4.19Å; F421-L425 HydrophobicContact CB-CB 3.88Å; F421-L425 HydrophobicContact CD2-CD1 4.29Å; G422-L425 WeakPolarHBondContact O-CB 3.47Å; G422-L425 PolarHBondContact O-N 3.44Å; G422-L425 VanDerWaalsContact O-N 3.07Å; D423-L425 VanDerWaalsContact C-N 3.28Å; L425-A427 PolarHBondContact O-N 3.34Å; L425-L449 HydrophobicContact CD1-CD1 3.97Å; L425-L449 HydrophobicContact CD1-CD2 4.06Å; L425-L449 HydrophobicContact CD1-CG 3.77Å; L425-L928 HydrophobicContact CD2-CD1 4.23Å; L425-L928 HydrophobicContact CD2-CD2 3.69Å; L425-L928 HydrophobicContact CD2-CG 4.49Å; L425-L928 HydrophobicContact CG-CD2 4.49Å
426L93.7Very high90.6Very high12 Ų1277.9 Ų77.96%0.06341%0.409CS..  trans-81.896.9172.7-172.777.5000110.1K424 E428 V430 L443 K446 I447 I448 V930 Y931K424-L426 PolarHBondContact O-N 2.99Å; L426-E428 WeakPolarHBondContact CD1-O 3.47Å; L426-V430 HydrophobicContact CD1-CG2 4.37Å; L426-L443 HydrophobicContact CD1-CD2 4.12Å; L426-L443 HydrophobicContact CD2-CD2 3.94Å; L426-K446 HydrophobicContact CB-CB 4.47Å; L426-K446 HydrophobicContact CD1-CG 4.48Å; L426-I447 WeakPolarHBondContact CB-O 3.47Å; L426-I447 PolarHBondContact N-O 3.13Å; L426-I448 HydrophobicContact CD2-CG1 4.12Å; L426-V930 HydrophobicContact CD2-CB 4.3Å; L426-V930 HydrophobicContact CD2-CG1 4.42Å; L426-V930 HydrophobicContact CG-CG2 4.46Å; L426-V930 WeakPolarHBondContact O-CG2 3.49Å; L426-Y931 HydrophobicContact CD2-CD2 3.64Å; L426-Y931 HydrophobicContact CD2-CE2 3.67Å
427A87.2Confident90.4Very high51 Ų5177.4 Ų77.442%0.42141%0.407SS..  trans-94.7-18.9178.800000114.1L425 L928 V930L425-A427 PolarHBondContact O-N 3.34Å; A427-L928 HydrophobicContact CB-CD2 4.43Å; A427-V930 VanDerWaalsContact O-CG2 3.31Å; A427-V930 WeakPolarHBondContact O-CG2 3.41Å
428E86Confident90.4Very high151 Ų15177.8 Ų77.871%0.70641%0.409SS*.SBendtrans-130.2152.6-177.9-64.4-173.8170.100111.9L426L426-E428 WeakPolarHBondContact CD1-O 3.47Å
429P86.7Confident90.4Very high53 Ų5373.3 Ų73.334%0.34439%0.39SS..  trans-60.4139.3173-17.228.7000111.7E431 V930P429-E431 VanDerWaalsContact C-N 3.28Å; P429-E431 PolarHBondContact O-N 3.17Å; P429-V930 HydrophobicContact CB-CG1 4.07Å; P429-V930 HydrophobicContact CG-CG1 3.86Å
430V88.1Confident90.5Very high66 Ų6666.9 Ų66.940%0.436%0.356SS..SBendtrans-61.1-40.5175.9179.90000111L426 P438 L443 Y931L426-V430 HydrophobicContact CD1-CG2 4.37Å; V430-P438 HydrophobicContact CB-CB 4.41Å; V430-P438 HydrophobicContact CB-CG 4Å; V430-P438 HydrophobicContact CG2-CB 4.17Å; V430-P438 HydrophobicContact CG2-CG 3.81Å; V430-L443 HydrophobicContact CG2-CD2 3.63Å; V430-L443 HydrophobicContact CG2-CG 4.47Å; V430-Y931 HydrophobicContact CG2-CE2 4.45Å; V430-Y931 PolarHBondContact N-OH 2.91Å
431E84.8Confident90.5Very high114 Ų11467.5 Ų67.553%0.53336%0.36SS..  trans-140.6129.1175.7-178.8174.4-16000109.5P429 A434P429-E431 VanDerWaalsContact C-N 3.28Å; P429-E431 PolarHBondContact O-N 3.17Å; E431-A434 HydrophobicContact CB-CB 4.06Å; E431-A434 HydrophobicContact CG-CB 4.21Å
432Q73.8Confident90.4Very high174 Ų17472.5 Ų72.581%0.81338%0.384SS*.THydrogen-bonded Turntrans-77.2-28.1-168.1-150.7160.612.400113.1
433L78.7Confident90.4Very high158 Ų15870.7 Ų70.783%0.82737%0.365SS*.THydrogen-bonded Turntrans-104.811.2-179.4-64.2173.3000113.4
434A83.9Confident90.5Very high20 Ų2069 Ų6917%0.16535%0.347CS..  trans-63.1145178.900000111.8E431 Y947E431-A434 HydrophobicContact CB-CB 4.06Å; E431-A434 HydrophobicContact CG-CB 4.21Å; A434-Y947 WeakPolarHBondContact O-CE1 3.35Å; A434-Y947 PolarHBondContact O-OH 3.08Å
435E86.1Confident90.5Very high164 Ų16467 Ų6777%0.76635%0.345SS*.SBendtrans-102.3-3.5175.4-62.3-169.2163.800113.5Y947E435-Y947 VanDerWaalsContact C-CD1 3.42Å; E435-Y947 WeakPolarHBondContact O-CD1 3.39Å
436Q90.6Very high90.5Very high119 Ų11969.7 Ų69.756%0.55636%0.357SS*.SBendtrans-139.4165.2-177.364.1-174.63.400111.5P314 Y947P314-Q436 HydrophobicContact CG-CB 4.35Å; P314-Q436 HydrophobicContact CG-CG 4.18Å; P314-Q436 VanDerWaalsContact CG-OE1 3.28Å; Q436-Y947 WeakPolarHBondContact O-CD2 3.48Å; Q436-Y947 WeakPolarHBondContact O-CE2 3.04Å
437L93.8Very high90.8Very high4 Ų469.1 Ų69.12%0.02135%0.354CS..PPolyproline II helixtrans-66.2145.3174.3-73.6165.3000111P314 L315 Y931 Y947 L975P314-L437 WeakPolarHBondContact CA-O 3.42Å; P314-L437 WeakPolarHBondContact CB-O 3.28Å; L315-L437 HydrophobicContact CB-CB 3.92Å; L315-L437 HydrophobicContact CB-CD1 4.19Å; L437-Y931 HydrophobicContact CD2-CD1 3.79Å; L437-Y931 HydrophobicContact CD2-CG 3.97Å; L437-Y947 HydrophobicContact CD2-CD2 4.1Å; L437-Y947 VanDerWaalsContact CD2-O 3.3Å; L437-Y947 WeakPolarHBondContact CD2-O 3.27Å; L437-Y947 HydrophobicContact CG-CD2 4.09Å; L437-Y947 VanDerWaalsContact CG-O 3.29Å; L437-Y947 WeakPolarHBondContact CG-O 3.33Å; L437-L975 HydrophobicContact CD1-CD1 4.13Å; L437-L975 HydrophobicContact CD1-CD2 3.99Å; L437-L975 HydrophobicContact CD1-CG 3.72Å
438P95.3Very high91.3Very high8 Ų866.8 Ų66.85%0.05233%0.334CS..PPolyproline II helixtrans-62161.8171.9-17.229.7000111.6L315 V430 Q442 L443 Y931L315-P438 WeakPolarHBondContact CB-O 3.4Å; L315-P438 PolarHBondContact N-O 3.03Å; V430-P438 HydrophobicContact CB-CB 4.41Å; V430-P438 HydrophobicContact CB-CG 4Å; V430-P438 HydrophobicContact CG2-CB 4.17Å; V430-P438 HydrophobicContact CG2-CG 3.81Å; P438-Q442 HydrophobicContact CB-CB 4.12Å; P438-L443 HydrophobicContact CB-CD1 3.82Å; P438-L443 HydrophobicContact CB-CD2 4.42Å; P438-L443 HydrophobicContact CB-CG 3.91Å; P438-L443 HydrophobicContact CG-CD1 4.19Å; P438-L443 HydrophobicContact CG-CD2 4.48Å; P438-L443 HydrophobicContact CG-CG 4.42Å; P438-Y931 HydrophobicContact CG-CE1 4.28Å; P438-Y931 HydrophobicContact CG-CE2 3.66Å; P438-Y931 VanDerWaalsContact CG-CZ 3.48Å; P438-Y931 VanDerWaalsContact CG-OH 3.23Å; P438-Y931 WeakPolarHBondContact CG-OH 3.48Å
439S96.5Very high91.8Very high5 Ų559.6 Ų59.64%0.03530%0.301CS..PPolyproline II helixtrans-78.7157.9175.371.90000113N312 N313 T441 Q442 L443N312-S439 VanDerWaalsContact C-CB 3.48Å; N312-S439 WeakPolarHBondContact O-CB 3.46Å; N313-S439 WeakPolarHBondContact O-CA 3.42Å; N313-S439 WeakPolarHBondContact O-CB 3.2Å; S439-T441 PolarHBondContact O-N 3.14Å; S439-Q442 PolarHBondContact O-N 2.9Å; S439-Q442 VanDerWaalsContact O-N 3.07Å; S439-Q442 WeakPolarHBondContact OG-CG 3.17Å; S439-Q442 PolarHBondContact OG-N 3.43Å; S439-Q442 PolarHBondContact OG-OE1 3.37Å; S439-L443 PolarHBondContact O-N 3Å
440P97.1Very high92.2Very high0 Ų057.9 Ų57.90%029%0.288CS..THydrogen-bonded Turntrans-51-38.3169-28.835.5000113.1M311 N313 L315 Y318 F395 P396 L443 R444 Y1029M311-P440 HydrophobicContact CE-CB 3.52Å; M311-P440 HydrophobicContact CE-CG 4.05Å; M311-P440 WeakPolarHBondContact O-CD 3.46Å; N313-P440 WeakPolarHBondContact O-CD 3.44Å; L315-P440 HydrophobicContact CD1-CG 3.96Å; Y318-P440 HydrophobicContact CD1-CG 4.39Å; Y318-P440 HydrophobicContact CD2-CG 3.89Å; Y318-P440 HydrophobicContact CE1-CG 4.13Å; Y318-P440 VanDerWaalsContact CE2-CD 3.45Å; Y318-P440 HydrophobicContact CE2-CG 3.59Å; Y318-P440 HydrophobicContact CG-CG 4.28Å; F395-P440 HydrophobicContact CD1-CB 3.75Å; F395-P440 HydrophobicContact CE1-CB 4.28Å; P396-P440 WeakPolarHBondContact CD-O 3.39Å; P440-L443 CarbonylContact O-C 3.24Å; P440-L443 PolarHBondContact O-N 3.48Å; P440-R444 PolarHBondContact O-N 3.19Å; P440-Y1029 HydrophobicContact CG-CD1 4.17Å
441T96.4Very high92.3Very high45 Ų4555 Ų5528%0.27627%0.27SS..THydrogen-bonded Turntrans-62-44.2175.8-61.80000112.5M311 N312 S439 L443 R444M311-T441 WeakPolarHBondContact CB-OG1 3.4Å; M311-T441 PolarHBondContact O-N 3.34Å; M311-T441 PolarHBondContact O-OG1 2.83Å; N312-T441 VanDerWaalsContact OD1-CB 3.3Å; N312-T441 WeakPolarHBondContact OD1-CB 3.29Å; N312-T441 PolarHBondContact OD1-OG1 3.43Å; S439-T441 PolarHBondContact O-N 3.14Å; T441-L443 PolarHBondContact O-N 2.93Å; T441-R444 WeakPolarHBondContact O-CB 3.41Å; T441-R444 PolarHBondContact O-N 3.47Å
442Q95.6Very high92.3Very high111 Ų11154 Ų5452%0.51926%0.264SS..THydrogen-bonded Turntrans-66.2-24178.9-72.5173.7-51.700112.9P438 S439P438-Q442 HydrophobicContact CB-CB 4.12Å; S439-Q442 PolarHBondContact O-N 2.9Å; S439-Q442 VanDerWaalsContact O-N 3.07Å; S439-Q442 WeakPolarHBondContact OG-CG 3.17Å; S439-Q442 PolarHBondContact OG-N 3.43Å; S439-Q442 PolarHBondContact OG-OE1 3.37Å
443L96.6Very high92.4Very high1 Ų149 Ų491%0.00524%0.239CC..THydrogen-bonded Turntrans-104.718-177.2-67.8166.5000112.7L315 P396 L426 V430 P438 S439 P440 T441 G445 K446 I448L315-L443 HydrophobicContact CD2-CD1 4.46Å; P396-L443 HydrophobicContact CB-CB 3.84Å; P396-L443 WeakPolarHBondContact CB-O 3.38Å; P396-L443 WeakPolarHBondContact CD-O 3.24Å; P396-L443 HydrophobicContact CG-CB 3.68Å; L426-L443 HydrophobicContact CD1-CD2 4.12Å; L426-L443 HydrophobicContact CD2-CD2 3.94Å; V430-L443 HydrophobicContact CG2-CD2 3.63Å; V430-L443 HydrophobicContact CG2-CG 4.47Å; P438-L443 HydrophobicContact CB-CD1 3.82Å; P438-L443 HydrophobicContact CB-CD2 4.42Å; P438-L443 HydrophobicContact CB-CG 3.91Å; P438-L443 HydrophobicContact CG-CD1 4.19Å; P438-L443 HydrophobicContact CG-CD2 4.48Å; P438-L443 HydrophobicContact CG-CG 4.42Å; S439-L443 PolarHBondContact O-N 3Å; P440-L443 CarbonylContact O-C 3.24Å; P440-L443 PolarHBondContact O-N 3.48Å; T441-L443 PolarHBondContact O-N 2.93Å; L443-G445 PolarHBondContact O-N 3.23Å; L443-K446 VanDerWaalsContact O-CB 3.28Å; L443-K446 WeakPolarHBondContact O-CB 3.49Å; L443-K446 PolarHBondContact O-N 2.99Å; L443-I448 HydrophobicContact CD1-CD1 3.99Å
444R96.1Very high92Very high113 Ų11343 Ų4343%0.42621%0.209SC..THydrogen-bonded Turntrans-56.6133.4178.9-168.4-178.5-71.4-150.3-0.3111D394 P440 T441 K446D394-R444 HydrophobicContact CB-CG 3.81Å; D394-R444 CarbonylContact O-C 3.59Å; D394-R444 WeakPolarHBondContact O-CA 3.22Å; D394-R444 WeakPolarHBondContact O-CG 3.27Å; P440-R444 PolarHBondContact O-N 3.19Å; T441-R444 WeakPolarHBondContact O-CB 3.41Å; T441-R444 PolarHBondContact O-N 3.47Å; R444-K446 PolarHBondContact O-N 3.14Å
445G96.6Very high90.5Very high25 Ų2547.2 Ų47.226%0.25823%0.229SC..THydrogen-bonded Turntrans69.312-178.800000114.6F390 D394 L443F390-G445 WeakPolarHBondContact CE2-O 3.5Å; F390-G445 WeakPolarHBondContact CZ-O 3.24Å; D394-G445 PolarHBondContact O-N 3.04Å; L443-G445 PolarHBondContact O-N 3.23Å
446K98.1Very high88.1Confident69 Ų6945.6 Ų45.630%0.323%0.23SC..  trans-102.6142.6-178.8-60-63.6-178.7175.10113.2P396 L397 D423 K424 L426 L443 R444P396-K446 WeakPolarHBondContact CA-O 3.31Å; L397-K446 PolarHBondContact N-O 3.03Å; D423-K446 PolarHBondContact O-NZ 3Å; K424-K446 CarbonylContact O-C 3.52Å; K424-K446 VanDerWaalsContact O-CA 3.26Å; K424-K446 WeakPolarHBondContact O-CA 3.47Å; L426-K446 HydrophobicContact CB-CB 4.47Å; L426-K446 HydrophobicContact CD1-CG 4.48Å; L443-K446 VanDerWaalsContact O-CB 3.28Å; L443-K446 WeakPolarHBondContact O-CB 3.49Å; L443-K446 PolarHBondContact O-N 2.99Å; R444-K446 PolarHBondContact O-N 3.14Å
447I98.4Very high85.1Confident0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-108125.2174.5-58.1178000107.9I385 A389 F390 L397 L399 F421 K424 L426 L449I385-I447 HydrophobicContact CG2-CD1 4.46Å; A389-I447 HydrophobicContact CB-CD1 4.41Å; F390-I447 HydrophobicContact CE2-CD1 4.35Å; F390-I447 HydrophobicContact CE2-CG1 4.05Å; F390-I447 HydrophobicContact CZ-CG1 3.8Å; L397-I447 HydrophobicContact CB-CG1 4.45Å; L397-I447 CarbonylContact O-C 3.57Å; L397-I447 WeakPolarHBondContact O-CA 3.47Å; L399-I447 HydrophobicContact CD1-CG2 3.7Å; L399-I447 HydrophobicContact CD2-CG2 4.41Å; L399-I447 HydrophobicContact CG-CG2 3.72Å; F421-I447 HydrophobicContact CB-CD1 4.47Å; F421-I447 HydrophobicContact CD1-CD1 3.55Å; F421-I447 HydrophobicContact CD2-CD1 4.06Å; F421-I447 HydrophobicContact CD2-CG2 4.25Å; F421-I447 HydrophobicContact CE1-CD1 3.6Å; F421-I447 HydrophobicContact CE2-CD1 4.07Å; F421-I447 HydrophobicContact CE2-CG2 3.9Å; F421-I447 HydrophobicContact CG-CD1 3.79Å; F421-I447 HydrophobicContact CZ-CD1 3.86Å; F421-I447 HydrophobicContact CZ-CG2 4.36Å; K424-I447 HydrophobicContact CB-CD1 4.21Å; K424-I447 HydrophobicContact CB-CG1 4.35Å; K424-I447 PolarHBondContact O-N 3.34Å; L426-I447 WeakPolarHBondContact CB-O 3.47Å; L426-I447 PolarHBondContact N-O 3.13Å; I447-L449 HydrophobicContact CG2-CD2 4.41Å
448I97.7Very high81.9Confident2 Ų249.6 Ų49.61%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-111.3126.6-174.8-53.5171.7000108.4L315 P396 L397 I398 L399 L426 L443 C932L315-I448 HydrophobicContact CD2-CD1 4.46Å; P396-I448 HydrophobicContact CB-CD1 4.09Å; L397-I448 PolarHBondContact O-N 2.66Å; I398-I448 CarbonylContact C-O 3.58Å; I398-I448 WeakPolarHBondContact CA-O 3.21Å; I398-I448 HydrophobicContact CG1-CB 4.35Å; I398-I448 HydrophobicContact CG1-CD1 4.41Å; L399-I448 PolarHBondContact N-O 3.33Å; L426-I448 HydrophobicContact CD2-CG1 4.12Å; L443-I448 HydrophobicContact CD1-CD1 3.99Å; I448-C932 HydrophobicContact CG2-CB 4.27Å
449L96.8Very high78.6Confident1 Ų152.6 Ų52.61%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-90.8123.9176.7-53.2-170.4000110.7L399 I401 F417 L425 I447 L928L399-L449 HydrophobicContact CB-CD2 3.96Å; L399-L449 HydrophobicContact CD1-CD2 3.77Å; L399-L449 HydrophobicContact CG-CD2 4.12Å; I401-L449 HydrophobicContact CD1-CB 4.41Å; I401-L449 HydrophobicContact CD1-CD1 4.39Å; I401-L449 HydrophobicContact CD1-CD2 4.35Å; F417-L449 HydrophobicContact CD2-CD1 3.82Å; F417-L449 HydrophobicContact CE1-CD2 4.3Å; F417-L449 HydrophobicContact CE2-CD1 4.02Å; F417-L449 HydrophobicContact CG-CD1 4.2Å; F417-L449 HydrophobicContact CZ-CD2 4.28Å; L425-L449 HydrophobicContact CD1-CD1 3.97Å; L425-L449 HydrophobicContact CD1-CD2 4.06Å; L425-L449 HydrophobicContact CD1-CG 3.77Å; I447-L449 HydrophobicContact CG2-CD2 4.41Å; L449-L928 HydrophobicContact CD1-CB 3.79Å; L449-L928 HydrophobicContact CD1-CD1 4.06Å
450K95.4Very high75.3Confident17 Ų1755.8 Ų55.87%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-95.1101.4164.8171.5-175.6161.1-75.20107.9I398 L399 S400 I401 C932 P934 V950 S952I398-K450 HydrophobicContact CG2-CB 4.2Å; L399-K450 WeakPolarHBondContact O-CB 3.43Å; L399-K450 PolarHBondContact O-N 2.86Å; S400-K450 PolarHBondContact OG-NZ 3.01Å; I401-K450 PolarHBondContact N-O 3.06Å; I401-K450 VanDerWaalsContact N-O 3.07Å; K450-C932 HydrophobicContact CB-CB 3.84Å; K450-C932 HydrophobicContact CG-CB 4.36Å; K450-P934 HydrophobicContact CG-CG 4.04Å; K450-V950 HydrophobicContact CD-CG1 3.92Å; K450-V950 HydrophobicContact CD-CG2 4.47Å; K450-V950 HydrophobicContact CG-CG1 3.92Å; K450-S952 VanDerWaalsContact CE-OG 3.22Å; K450-S952 WeakPolarHBondContact CE-OG 3.2Å
451H90.3Very high71.9Confident4 Ų462.4 Ų62.42%0.01936%0.362CS..  trans-150.4163.4177.1-175.763.7000111I401 E403 V929 P934I401-H451 HydrophobicContact CB-CB 4.31Å; I401-H451 HydrophobicContact CD1-CB 4.28Å; E403-H451 WeakPolarHBondContact CB-CE1 3.3Å; H451-V929 HydrophobicContact CB-CG2 3.75Å; H451-V929 WeakPolarHBondContact O-CG1 3.33Å; H451-V929 WeakPolarHBondContact O-CG2 3.32Å; H451-P934 WeakPolarHBondContact O-CD 3.22Å
452K84.1Confident68.8Low95 Ų9564.6 Ų64.641%0.41339%0.385SS..  trans-59.6140-178.7-66.6174.6-175.2167.80110.3V921K452-V921 HydrophobicContact CB-CG2 3.48Å; K452-V921 VanDerWaalsContact CB-CG2 3.48Å; K452-V921 HydrophobicContact CD-CG2 3.84Å; K452-V921 HydrophobicContact CG-CG2 4.33Å
453K77.4Confident65.8Low67 Ų6768.2 Ų68.229%0.29140%0.399SS..  trans-115.9129.8177.9-170.3171.2-171.1144.80111.1S926 V929 Q933K453-S926 WeakPolarHBondContact CG-OG 3.43Å; K453-V929 HydrophobicContact CB-CB 4.44Å; K453-V929 HydrophobicContact CB-CG1 4.42Å; K453-V929 WeakPolarHBondContact CD-O 3.49Å; K453-V929 PolarHBondContact NZ-O 2.83Å; K453-Q933 HydrophobicContact CD-CG 4.15Å
454V69.3Low62.6Low34 Ų3474 Ų7421%0.20643%0.43CS..  trans-81.4127.5177.9-174.70000109.4V921 M923 S926V454-V921 HydrophobicContact CG2-CB 3.67Å; V454-V921 HydrophobicContact CG2-CG1 4.31Å; V454-V921 HydrophobicContact CG2-CG2 4.47Å; V454-M923 HydrophobicContact CB-SD 4.04Å; V454-M923 HydrophobicContact CG1-SD 4.12Å; V454-M923 HydrophobicContact CG2-SD 4.44Å; V454-S926 PolarHBondContact N-OG 3.25Å
455N52Low59.4Low108 Ų10876.1 Ų76.158%0.57844%0.442SS*.  trans-90.6129.5166-71.6-13.5000108E457N455-E457 PolarHBondContact O-N 2.91Å
456V35Very low56.7Low129 Ų12986.9 Ų86.978%0.78248%0.475SS*.SBendtrans-71.674.6-178.7-173.30000110.5
457E28Very low53.8Low156 Ų15693.9 Ų93.973%0.72951%0.506SS*.  trans-15094.5158.7-76.3-166.216700109N455 K918N455-E457 PolarHBondContact O-N 2.91Å; E457-K918 VanDerWaalsContact O-CD 3.28Å; E457-K918 WeakPolarHBondContact O-CD 3.25Å; E457-K918 WeakPolarHBondContact O-CE 3.24Å; E457-K918 PolarHBondContact O-NZ 3.29Å
458G27.1Very low51.5Low52 Ų5295.2 Ų95.254%0.53652%0.519SS..  trans109.299.6155.900000117.8
459G26Very low49.5Very low70 Ų70102.3 Ų102.372%0.72255%0.552SS**  trans41.7125.7134.600000121.5
460A26.4Very low47.9Very low73 Ų73103.9 Ų103.960%0.60356%0.559SS**  trans-117.1148.917900000112.3
461T26.9Very low46.4Very low139 Ų139106.5 Ų106.585%0.85357%0.572SS**  -174122.8122.338.10000113.2
462A31.2Very low45.3Very low91 Ų91107 Ų10775%0.75258%0.578SS**  trans42.6141.5141.400000121.3
463K32.2Very low44.9Very low187 Ų187103.2 Ų103.281%0.81356%0.562SS**  cis-174.8153.215.7-111.4174.6-176.5-167.40110.9
464D30.1Very low45Very low123 Ų123100 Ų10066%0.65855%0.549SS*.  trans57129.7138.8-73.2-10.9000130.2
465F29.1Very low45.5Very low156 Ų15698.7 Ų98.768%0.68454%0.54SS*.  trans56.5135147.8-61.7-69.6000126.1W370W370-F465 HydrophobicContact CZ2-CE1 4.42Å
466R38.7Very low46.9Very low251 Ų25194.2 Ų94.295%0.94752%0.516SS*.  trans-88142.2-178.8-57.5179.8-163.4-162.33.2112.4
467K37.4Very low48.8Very low217 Ų21790.5 Ų90.594%0.94349%0.488SS*.  trans-106.3134.6169.7-92-178.4172.9-177.10110.8
468G50.2Low50.5Low28 Ų2883.6 Ų83.629%0.28946%0.456SS..SBendtrans151-10.4164.800000117.7
469Q54.8Low51.8Low150 Ų15083.7 Ų83.770%0.70145%0.447SS*.  trans-122.9139-178.5-69.6176.3-3000109.8S492Q469-S492 PolarHBondContact NE2-OG 3.06Å
470K63.6Low53Low35 Ų3582 Ų8215%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-136.6138.9175-171.2175179.371.60109.7I491 E886 W887 V890K470-I491 PolarHBondContact O-N 2.93Å; K470-E886 HydrophobicContact CD-CB 4.32Å; K470-E886 IonicContact NZ-OE2 3.72Å; K470-E886 PolarHBondContact NZ-OE2 3.11Å; K470-W887 HydrophobicContact CB-CE3 4.48Å; K470-W887 HydrophobicContact CB-CZ3 4.37Å; K470-W887 HydrophobicContact CD-CB 4.44Å; K470-W887 HydrophobicContact CD-CD2 3.61Å; K470-W887 HydrophobicContact CD-CE3 3.92Å; K470-W887 HydrophobicContact CD-CG 3.86Å; K470-W887 HydrophobicContact CD-CZ3 4.48Å; K470-W887 VanDerWaalsContact CE-CG 3.41Å; K470-W887 HydrophobicContact CG-CD2 4.12Å; K470-W887 HydrophobicContact CG-CE3 4.17Å; K470-W887 HydrophobicContact CG-CH2 4.25Å; K470-W887 HydrophobicContact CG-CZ2 4.18Å; K470-W887 HydrophobicContact CG-CZ3 4.24Å; K470-V890 HydrophobicContact CB-CB 4.38Å; K470-V890 HydrophobicContact CB-CG1 4.18Å; K470-V890 HydrophobicContact CB-CG2 4.06Å; K470-V890 HydrophobicContact CD-CG2 4.15Å
471Q64.6Low54.2Low72 Ų7281.4 Ų81.434%0.33641%0.409SS..EExtended strand (participates in β ladder)trans-141.1155.1174.662.4-170.7-16.200110.3W370 Y488 C489 V490W370-Q471 VanDerWaalsContact O-CD 3.29Å; W370-Q471 PolarHBondContact O-NE2 2.98Å; Q471-Y488 VanDerWaalsContact CG-OH 3.3Å; Q471-Y488 WeakPolarHBondContact CG-OH 3.36Å; Q471-Y488 PolarHBondContact OE1-OH 3.38Å; Q471-C489 WeakPolarHBondContact CA-O 3.2Å; Q471-C489 WeakPolarHBondContact CB-O 3.47Å; Q471-V490 HydrophobicContact CB-CB 4.38Å; Q471-V490 HydrophobicContact CB-CG1 4.42Å; Q471-V490 HydrophobicContact CB-CG2 3.9Å
472G67.1Low55.8Low15 Ų1580.8 Ų80.816%0.15540%0.397CS..EExtended strand (participates in β ladder)trans151.5-173.1-173.800000111.2C489G472-C489 PolarHBondContact N-O 2.7Å; G472-C489 PolarHBondContact O-N 3.27Å
473D75.7Confident57.7Low14 Ų1481 Ų818%0.07538%0.379CS..EExtended strand (participates in β ladder)trans-89.5136.1-174.5-51.9-47.1000111.8R372 R486 H487R372-D473 VanDerWaalsContact CZ-CG 3.49Å; R372-D473 IonicContact CZ-OD1 2.79Å; R372-D473 IonicContact CZ-OD2 3.19Å; R372-D473 VanDerWaalsContact CZ-OD2 3.24Å; R372-D473 IonicContact NE-OD1 3.81Å; R372-D473 PolarHBondContact NE-OD1 2.9Å; R372-D473 VanDerWaalsContact NE-OD1 3.11Å; R372-D473 IonicContact NE-OD2 2.72Å; R372-D473 IonicContact NH1-OD1 3.58Å; R372-D473 VanDerWaalsContact NH2-CG 3.25Å; R372-D473 IonicContact NH2-OD1 3.24Å; R372-D473 PolarHBondContact NH2-OD1 3.45Å; R372-D473 IonicContact NH2-OD2 2.69Å; R372-D473 PolarHBondContact NH2-OD2 2.88Å; D473-R486 HydrophobicContact CB-CG 4.1Å; D473-R486 IonicContact OD2-CZ 3.11Å; D473-R486 IonicContact OD2-NE 2.6Å; D473-R486 PolarHBondContact OD2-NE 2.93Å; D473-R486 IonicContact OD2-NH2 2.68Å; D473-R486 PolarHBondContact OD2-NH2 3.21Å; D473-H487 WeakPolarHBondContact CA-O 3.46Å
474L79.4Confident59.7Low1 Ų174 Ų741%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-127.8136.2164-68.8170000108.7H487 C489 L876 A877 A878 W887L474-H487 PolarHBondContact N-O 2.84Å; L474-H487 PolarHBondContact O-N 3.39Å; L474-C489 HydrophobicContact CD1-CB 4.11Å; L474-C489 HydrophobicContact CG-CB 4.46Å; L474-L876 HydrophobicContact CB-CD2 4.35Å; L474-L876 HydrophobicContact CD1-CD1 4.2Å; L474-L876 HydrophobicContact CD1-CD2 4.15Å; L474-A877 CarbonylContact C-O 3.56Å; L474-A877 WeakPolarHBondContact CA-O 3.05Å; L474-A877 WeakPolarHBondContact CD2-O 3.33Å; L474-A878 HydrophobicContact CD2-CB 3.99Å; L474-W887 HydrophobicContact CD1-CD2 3.8Å; L474-W887 HydrophobicContact CD1-CE3 3.86Å; L474-W887 HydrophobicContact CD1-CG 4.28Å; L474-W887 HydrophobicContact CD1-CH2 4.29Å; L474-W887 HydrophobicContact CD1-CZ2 4.24Å; L474-W887 HydrophobicContact CD1-CZ3 4.09Å; L474-W887 HydrophobicContact CD2-CD2 4.23Å; L474-W887 HydrophobicContact CD2-CG 4.01Å; L474-W887 HydrophobicContact CG-CD2 4.18Å; L474-W887 HydrophobicContact CG-CG 4.48Å; L474-W887 HydrophobicContact CG-CZ2 4.21Å
475D80.9Confident61.6Low6 Ų668.4 Ų68.43%0.03232%0.317CS..EExtended strand (participates in β ladder)trans-78.9121.8167.4-61.5-18.9000107.2W484 N485 R486 K858 L876 A877D475-W484 HydrophobicContact CB-CB 4.28Å; D475-W484 HydrophobicContact CB-CE3 3.88Å; D475-W484 VanDerWaalsContact O-CZ3 3.29Å; D475-W484 WeakPolarHBondContact O-CZ3 3.01Å; D475-N485 CarbonylContact C-O 3.58Å; D475-N485 WeakPolarHBondContact CA-O 3.18Å; D475-R486 WeakPolarHBondContact OD1-CB 3.23Å; D475-R486 VanDerWaalsContact OD1-CG 3.31Å; D475-R486 WeakPolarHBondContact OD1-CG 3.26Å; D475-R486 IonicContact OD1-NH1 2.72Å; D475-R486 PolarHBondContact OD1-NH1 3.26Å; D475-K858 WeakPolarHBondContact OD2-CE 3.12Å; D475-K858 IonicContact OD2-NZ 3.5Å; D475-K858 PolarHBondContact OD2-NZ 3.44Å; D475-L876 CarbonylContact O-C 3.51Å; D475-A877 HydrophobicContact CB-CB 4.15Å; D475-A877 PolarHBondContact N-O 3.17Å; D475-A877 PolarHBondContact O-N 2.97Å
476I80Confident63.8Low13 Ų1366 Ų667%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-108.2133.4177.5-47.8-175000108D478 N485 H487 Y498 F874 L876I476-D478 PolarHBondContact O-N 3.23Å; I476-N485 PolarHBondContact N-O 2.83Å; I476-N485 PolarHBondContact O-N 2.86Å; I476-H487 HydrophobicContact CD1-CB 3.97Å; I476-H487 HydrophobicContact CG1-CB 4.24Å; I476-Y498 HydrophobicContact CD1-CD1 4.38Å; I476-Y498 HydrophobicContact CD1-CD2 4.04Å; I476-Y498 HydrophobicContact CD1-CG 3.92Å; I476-F874 HydrophobicContact CD1-CE1 4.27Å; I476-F874 HydrophobicContact CD1-CZ 4.12Å; I476-F874 HydrophobicContact CG2-CE1 4.26Å; I476-F874 HydrophobicContact CG2-CE2 4.33Å; I476-F874 HydrophobicContact CG2-CZ 3.92Å; I476-L876 HydrophobicContact CD1-CD2 4.09Å; I476-L876 HydrophobicContact CG1-CD2 3.78Å
477W75.1Confident65.5Low51 Ų5154.3 Ų54.319%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-72.7122.3179.9176.1-105000111.2P479 Q482 W484 Y856 D875W477-P479 WeakPolarHBondContact O-CD 3.5Å; W477-Q482 HydrophobicContact CH2-CB 4.04Å; W477-Q482 WeakPolarHBondContact CH2-O 3.44Å; W477-Q482 HydrophobicContact CZ2-CB 4.1Å; W477-Q482 WeakPolarHBondContact CZ3-O 3.35Å; W477-W484 HydrophobicContact CB-CD2 4.36Å; W477-W484 HydrophobicContact CB-CE3 4.01Å; W477-W484 HydrophobicContact CB-CH2 3.95Å; W477-W484 HydrophobicContact CB-CZ2 4.29Å; W477-W484 HydrophobicContact CB-CZ3 3.8Å; W477-W484 AromaticContact CE3-CD1 3.78Å; W477-W484 AromaticContact CE3-CD2 3.98Å; W477-W484 HydrophobicContact CE3-CD2 3.98Å; W477-W484 AromaticContact CE3-CE2 3.73Å; W477-W484 HydrophobicContact CE3-CG 4.03Å; W477-W484 HydrophobicContact CE3-CZ2 4.3Å; W477-W484 AromaticContact CE3-NE1 3.59Å; W477-W484 AromaticContact CZ3-CD1 3.92Å; W477-W484 AromaticContact CZ3-NE1 3.85Å; W477-Y856 AromaticContact CD1-CE2 3.83Å; W477-Y856 AromaticContact CD2-CD2 3.54Å; W477-Y856 HydrophobicContact CD2-CD2 3.54Å; W477-Y856 HydrophobicContact CD2-CE2 4.03Å; W477-Y856 AromaticContact CD2-CG 3.89Å; W477-Y856 HydrophobicContact CD2-CG 3.89Å; W477-Y856 AromaticContact CE2-CD2 3.7Å; W477-Y856 AromaticContact CE2-CE2 3.89Å; W477-Y856 AromaticContact CE2-CG 3.84Å; W477-Y856 AromaticContact CE3-CD2 3.92Å; W477-Y856 HydrophobicContact CE3-CD2 3.92Å; W477-Y856 AromaticContact CE3-CG 3.94Å; W477-Y856 HydrophobicContact CE3-CG 3.94Å; W477-Y856 AromaticContact CG-CD2 3.81Å; W477-Y856 HydrophobicContact CG-CD2 3.81Å; W477-Y856 AromaticContact CG-CE2 3.98Å; W477-Y856 HydrophobicContact CG-CE2 3.98Å; W477-Y856 HydrophobicContact CH2-CD1 4.08Å; W477-Y856 AromaticContact CH2-CG 3.89Å; W477-Y856 HydrophobicContact CH2-CG 3.89Å; W477-Y856 AromaticContact CZ2-CD1 3.85Å; W477-Y856 HydrophobicContact CZ2-CD1 3.85Å; W477-Y856 HydrophobicContact CZ2-CD2 4.2Å; W477-Y856 HydrophobicContact CZ2-CE1 4.22Å; W477-Y856 AromaticContact CZ2-CG 3.85Å; W477-Y856 HydrophobicContact CZ2-CG 3.85Å; W477-Y856 VanDerWaalsContact CZ3-CB 3.46Å; W477-Y856 HydrophobicContact CZ3-CD2 4.4Å; W477-Y856 AromaticContact CZ3-CG 3.95Å; W477-Y856 HydrophobicContact CZ3-CG 3.95Å; W477-Y856 AromaticContact NE1-CE2 3.75Å; W477-D875 HydrophobicContact CB-CB 4.19Å; W477-D875 PolarHBondContact N-O 3.2Å
478D64.3Low67.2Low11 Ų1145 Ų456%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-93.9115.5173.9-165.8-42.9000111I476 V480 D481 Q482 R483 N485 R654I476-D478 PolarHBondContact O-N 3.23Å; D478-V480 VanDerWaalsContact C-N 3.26Å; D478-V480 PolarHBondContact O-N 2.73Å; D478-V480 WeakPolarHBondContact OD1-CA 3.26Å; D478-V480 VanDerWaalsContact OD1-CB 3.28Å; D478-V480 WeakPolarHBondContact OD1-CB 3.46Å; D478-V480 PolarHBondContact OD1-N 2.8Å; D478-D481 HydrophobicContact CB-CB 4.46Å; D478-Q482 WeakPolarHBondContact O-CA 3.3Å; D478-Q482 PolarHBondContact O-N 3.32Å; D478-R483 PolarHBondContact N-O 3.26Å; D478-N485 VanDerWaalsContact CB-ND2 3.3Å; D478-N485 WeakPolarHBondContact CB-ND2 3.44Å; D478-R654 IonicContact OD2-NH2 3.67Å; D478-R654 PolarHBondContact OD2-NH2 3.04Å
479P55.1Low68.5Low55 Ų5543.7 Ų43.736%0.35721%0.205SC..THydrogen-bonded Turntrans-70.8-16.4-179.128.8-34.2000114.2W477W477-P479 WeakPolarHBondContact O-CD 3.5Å
480V49.8Very low69.3Low34 Ų3437.2 Ų37.221%0.20618%0.175CC..THydrogen-bonded Turntrans-80.7-54.6178.91790000110.5D478 Q482 F733D478-V480 VanDerWaalsContact C-N 3.26Å; D478-V480 PolarHBondContact O-N 2.73Å; D478-V480 WeakPolarHBondContact OD1-CA 3.26Å; D478-V480 VanDerWaalsContact OD1-CB 3.28Å; D478-V480 WeakPolarHBondContact OD1-CB 3.46Å; D478-V480 PolarHBondContact OD1-N 2.8Å; V480-Q482 VanDerWaalsContact C-N 3.33Å; V480-F733 HydrophobicContact CG1-CE2 4.39Å; V480-F733 HydrophobicContact CG1-CZ 3.83Å; V480-F733 HydrophobicContact CG2-CZ 4.13Å
481D52.8Low69.8Low60 Ų6035.7 Ų35.732%0.32117%0.169SC..THydrogen-bonded Turntrans-80.8-14.2-177.4-68.9-14.7000113D478 R483D478-D481 HydrophobicContact CB-CB 4.46Å; D481-R483 HydrophobicContact CB-CB 4.44Å; D481-R483 HydrophobicContact CB-CG 3.61Å; D481-R483 PolarHBondContact O-N 2.74Å; D481-R483 IonicContact OD2-CZ 3.32Å; D481-R483 IonicContact OD2-NE 2.97Å; D481-R483 PolarHBondContact OD2-NE 3.41Å; D481-R483 IonicContact OD2-NH2 3.7Å; D481-R483 PolarHBondContact OD2-NH2 2.98Å; D481-R483 VanDerWaalsContact OD2-NH2 3.15Å
482Q60Low69.9Low127 Ų12733 Ų3359%0.59316%0.158SC*.THydrogen-bonded Turntrans51.638.8-170.4-59.2-175.24.600112.5W477 D478 V480W477-Q482 HydrophobicContact CH2-CB 4.04Å; W477-Q482 WeakPolarHBondContact CH2-O 3.44Å; W477-Q482 HydrophobicContact CZ2-CB 4.1Å; W477-Q482 WeakPolarHBondContact CZ3-O 3.35Å; D478-Q482 WeakPolarHBondContact O-CA 3.3Å; D478-Q482 PolarHBondContact O-N 3.32Å; V480-Q482 VanDerWaalsContact C-N 3.33Å
483R71.5Confident69.7Low96 Ų9638.1 Ų38.136%0.36218%0.182SC..EExtended strand (participates in β ladder)trans-134.4156.6178.876-168.7171.9134.78.2110.5D478 D481 N485 E501D478-R483 PolarHBondContact N-O 3.26Å; D481-R483 HydrophobicContact CB-CB 4.44Å; D481-R483 HydrophobicContact CB-CG 3.61Å; D481-R483 PolarHBondContact O-N 2.74Å; D481-R483 IonicContact OD2-CZ 3.32Å; D481-R483 IonicContact OD2-NE 2.97Å; D481-R483 PolarHBondContact OD2-NE 3.41Å; D481-R483 IonicContact OD2-NH2 3.7Å; D481-R483 PolarHBondContact OD2-NH2 2.98Å; D481-R483 VanDerWaalsContact OD2-NH2 3.15Å; R483-N485 WeakPolarHBondContact CG-OD1 3.48Å; R483-N485 PolarHBondContact NE-OD1 3.12Å; R483-E501 IonicContact CZ-OE1 3.43Å; R483-E501 IonicContact NH1-OE1 3.23Å; R483-E501 IonicContact NH2-OE1 2.8Å; R483-E501 PolarHBondContact NH2-OE1 3.35Å; R483-E501 IonicContact NH2-OE2 3.15Å
484W73.9Confident69.3Low40 Ų4039.6 Ų39.615%0.15219%0.19CC..EExtended strand (participates in β ladder)trans-81.9124.3171.7-72.296.1000109.1D475 W477 Y856 K858 V861 D875 A877D475-W484 HydrophobicContact CB-CB 4.28Å; D475-W484 HydrophobicContact CB-CE3 3.88Å; D475-W484 VanDerWaalsContact O-CZ3 3.29Å; D475-W484 WeakPolarHBondContact O-CZ3 3.01Å; W477-W484 HydrophobicContact CB-CD2 4.36Å; W477-W484 HydrophobicContact CB-CE3 4.01Å; W477-W484 HydrophobicContact CB-CH2 3.95Å; W477-W484 HydrophobicContact CB-CZ2 4.29Å; W477-W484 HydrophobicContact CB-CZ3 3.8Å; W477-W484 AromaticContact CE3-CD1 3.78Å; W477-W484 AromaticContact CE3-CD2 3.98Å; W477-W484 HydrophobicContact CE3-CD2 3.98Å; W477-W484 AromaticContact CE3-CE2 3.73Å; W477-W484 HydrophobicContact CE3-CG 4.03Å; W477-W484 HydrophobicContact CE3-CZ2 4.3Å; W477-W484 AromaticContact CE3-NE1 3.59Å; W477-W484 AromaticContact CZ3-CD1 3.92Å; W477-W484 AromaticContact CZ3-NE1 3.85Å; W484-Y856 HydrophobicContact CZ2-CD2 4.11Å; W484-Y856 PolarHBondContact NE1-O 2.97Å; W484-K858 HydrophobicContact CD2-CG 3.94Å; W484-K858 HydrophobicContact CG-CG 3.87Å; W484-K858 HydrophobicContact CZ2-CB 4.26Å; W484-K858 HydrophobicContact CZ2-CG 4.39Å; W484-V861 HydrophobicContact CH2-CG1 3.82Å; W484-V861 HydrophobicContact CH2-CG2 3.95Å; W484-V861 HydrophobicContact CZ2-CG1 4.5Å; W484-V861 HydrophobicContact CZ2-CG2 3.98Å; W484-D875 HydrophobicContact CH2-CB 4.1Å; W484-A877 HydrophobicContact CE3-CB 4.09Å; W484-A877 HydrophobicContact CH2-CB 3.98Å; W484-A877 HydrophobicContact CZ3-CB 3.72Å
485N69.9Low69Low5 Ų541.3 Ų41.33%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-107.9131.9176.7-67.8-29.5000109.1D475 I476 D478 R483 H487D475-N485 CarbonylContact C-O 3.58Å; D475-N485 WeakPolarHBondContact CA-O 3.18Å; I476-N485 PolarHBondContact N-O 2.83Å; I476-N485 PolarHBondContact O-N 2.86Å; D478-N485 VanDerWaalsContact CB-ND2 3.3Å; D478-N485 WeakPolarHBondContact CB-ND2 3.44Å; R483-N485 WeakPolarHBondContact CG-OD1 3.48Å; R483-N485 PolarHBondContact NE-OD1 3.12Å; N485-H487 WeakPolarHBondContact CB-NE2 3.46Å; N485-H487 PolarHBondContact O-CD2 3.07Å
486R76.1Confident68.8Low105 Ų10541.2 Ų41.240%0.39620%0.196SC..EExtended strand (participates in β ladder)trans-83.1123.8-180-166.7161.3-17799.9-7.4109.7D473 D475D473-R486 HydrophobicContact CB-CG 4.1Å; D473-R486 IonicContact OD2-CZ 3.11Å; D473-R486 IonicContact OD2-NE 2.6Å; D473-R486 PolarHBondContact OD2-NE 2.93Å; D473-R486 IonicContact OD2-NH2 2.68Å; D473-R486 PolarHBondContact OD2-NH2 3.21Å; D475-R486 WeakPolarHBondContact OD1-CB 3.23Å; D475-R486 VanDerWaalsContact OD1-CG 3.31Å; D475-R486 WeakPolarHBondContact OD1-CG 3.26Å; D475-R486 IonicContact OD1-NH1 2.72Å; D475-R486 PolarHBondContact OD1-NH1 3.26Å
487H74.5Confident68.4Low6 Ų641 Ų413%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-123141.9-179.2-68.1-75.2000110.3D473 L474 I476 N485 A499D473-H487 WeakPolarHBondContact CA-O 3.46Å; L474-H487 PolarHBondContact N-O 2.84Å; L474-H487 PolarHBondContact O-N 3.39Å; I476-H487 HydrophobicContact CD1-CB 3.97Å; I476-H487 HydrophobicContact CG1-CB 4.24Å; N485-H487 WeakPolarHBondContact CB-NE2 3.46Å; N485-H487 PolarHBondContact O-CD2 3.07Å; H487-A499 PolarHBondContact ND1-O 2.97Å
488Y71.2Confident68.4Low22 Ų2239.2 Ų39.29%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-79.5122.5167.1-173.4-105.1000108.8L333 W370 R372 Q471 V490 Y498 A499 L833L333-Y488 HydrophobicContact CD1-CD1 4.5Å; L333-Y488 HydrophobicContact CD2-CE1 4.41Å; W370-Y488 PolarHBondContact O-OH 2.86Å; R372-Y488 HydrophobicContact CG-CD2 4.42Å; R372-Y488 HydrophobicContact CG-CE2 4.17Å; Q471-Y488 VanDerWaalsContact CG-OH 3.3Å; Q471-Y488 WeakPolarHBondContact CG-OH 3.36Å; Q471-Y488 PolarHBondContact OE1-OH 3.38Å; Y488-V490 HydrophobicContact CD1-CG2 4.13Å; Y488-V490 HydrophobicContact CE1-CG2 3.58Å; Y488-Y498 WeakPolarHBondContact O-CA 3.25Å; Y488-A499 PolarHBondContact O-N 3.01Å; Y488-L833 HydrophobicContact CD1-CD2 3.89Å; Y488-L833 HydrophobicContact CE1-CD2 4.13Å
489C79Confident68.6Low0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-115.6143.9-173.9-71.40000110.6Q471 G472 L474 L496 Y497 W887Q471-C489 WeakPolarHBondContact CA-O 3.2Å; Q471-C489 WeakPolarHBondContact CB-O 3.47Å; G472-C489 PolarHBondContact N-O 2.7Å; G472-C489 PolarHBondContact O-N 3.27Å; L474-C489 HydrophobicContact CD1-CB 4.11Å; L474-C489 HydrophobicContact CG-CB 4.46Å; C489-L496 HydrophobicContact CB-CD1 3.9Å; C489-Y497 CarbonylContact C-O 3.52Å; C489-Y497 VanDerWaalsContact CA-O 3.23Å; C489-Y497 WeakPolarHBondContact CA-O 3.31Å; C489-W887 HydrophobicContact CB-CH2 3.73Å; C489-W887 HydrophobicContact CB-CZ2 4.36Å; C489-W887 HydrophobicContact CB-CZ3 4.27Å; C489-W887 WeakPolarHBondContact O-CH2 3.4Å
490V72Confident68.9Low13 Ų1343.3 Ų43.38%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-134.2127.5175.5-179.10000108.8Q471 Y488 L496 Y497 P832 L833Q471-V490 HydrophobicContact CB-CB 4.38Å; Q471-V490 HydrophobicContact CB-CG1 4.42Å; Q471-V490 HydrophobicContact CB-CG2 3.9Å; Y488-V490 HydrophobicContact CD1-CG2 4.13Å; Y488-V490 HydrophobicContact CE1-CG2 3.58Å; V490-L496 CarbonylContact O-C 3.6Å; V490-L496 WeakPolarHBondContact O-CA 3.44Å; V490-Y497 PolarHBondContact N-O 2.6Å; V490-Y497 PolarHBondContact O-N 3.48Å; V490-P832 HydrophobicContact CB-CG 4.32Å; V490-P832 HydrophobicContact CG1-CB 4.24Å; V490-P832 HydrophobicContact CG1-CG 3.93Å; V490-L833 HydrophobicContact CG2-CD2 3.75Å; V490-L833 HydrophobicContact CG2-CG 4.23Å
491I73.8Confident69.4Low4 Ų444.4 Ų44.42%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-99.6115.4168.2-64.7170.4000108.7K470 K495 L496 I843 W887 V890 V894K470-I491 PolarHBondContact O-N 2.93Å; I491-K495 VanDerWaalsContact CA-O 3.31Å; I491-K495 WeakPolarHBondContact CA-O 3.21Å; I491-L496 HydrophobicContact CD1-CD1 4.15Å; I491-L496 HydrophobicContact CG1-CB 4.19Å; I491-L496 HydrophobicContact CG1-CD1 3.53Å; I491-L496 HydrophobicContact CG1-CG 4.49Å; I491-I843 HydrophobicContact CD1-CD1 3.74Å; I491-I843 HydrophobicContact CG1-CD1 3.82Å; I491-I843 HydrophobicContact CG2-CD1 3.89Å; I491-W887 HydrophobicContact CD1-CE3 3.64Å; I491-W887 HydrophobicContact CD1-CZ3 3.62Å; I491-W887 HydrophobicContact CG1-CE3 4.37Å; I491-W887 HydrophobicContact CG1-CZ3 3.82Å; I491-V890 HydrophobicContact CB-CG1 4.46Å; I491-V890 HydrophobicContact CD1-CG1 4.14Å; I491-V890 HydrophobicContact CG2-CG1 4.14Å; I491-V894 HydrophobicContact CG2-CG2 4.48Å
492S66.3Low68.8Low14 Ų1446.1 Ų46.110%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-137.3143.1170.1-164.30000109.4Q469 D494 K495Q469-S492 PolarHBondContact NE2-OG 3.06Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact O-N 3.32Å; S492-K495 PolarHBondContact N-O 3.13Å; S492-K495 PolarHBondContact O-N 2.98Å
493D62.1Low68Low124 Ų12446.4 Ų46.466%0.66322%0.223SC*.THydrogen-bonded Turntrans48.949.1172.2-52.3-59.8000113.5K495D493-K495 PolarHBondContact O-N 3.1Å; D493-K495 VanDerWaalsContact O-N 3.1Å
494D67.3Low66.2Low44 Ų4450.2 Ų50.224%0.23525%0.246CC..THydrogen-bonded Turntrans63.99.8178.5-53.5-33.7000115.5S492 I843 V894 R897S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact O-N 3.32Å; D494-I843 PolarHBondContact O-N 3.31Å; D494-V894 HydrophobicContact CB-CG1 3.56Å; D494-V894 WeakPolarHBondContact OD1-CG1 3.4Å; D494-R897 IonicContact OD1-NH1 3.19Å
495K72.6Confident64.3Low38 Ų3857.1 Ų57.117%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-116.7141.9177.7-62.9179.6179-171.70111.7I491 S492 D493 Y497 E827 I840 V841 E842I491-K495 VanDerWaalsContact CA-O 3.31Å; I491-K495 WeakPolarHBondContact CA-O 3.21Å; S492-K495 PolarHBondContact N-O 3.13Å; S492-K495 PolarHBondContact O-N 2.98Å; D493-K495 PolarHBondContact O-N 3.1Å; D493-K495 VanDerWaalsContact O-N 3.1Å; K495-Y497 HydrophobicContact CB-CD2 4.42Å; K495-Y497 HydrophobicContact CB-CE2 3.66Å; K495-E827 IonicContact NZ-OE1 3.92Å; K495-E827 PolarHBondContact NZ-OE1 3.1Å; K495-I840 HydrophobicContact CB-CG2 3.98Å; K495-I840 HydrophobicContact CD-CG2 4.02Å; K495-I840 HydrophobicContact CG-CG2 4.33Å; K495-V841 CarbonylContact C-O 3.33Å; K495-E842 HydrophobicContact CG-CB 4.25Å; K495-E842 HydrophobicContact CG-CG 4.15Å
496L76.8Confident62.5Low3 Ų364.2 Ų64.22%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-100.6117.6172.1173.673.1000109.3C489 V490 I491 I840 V841 I843 F874 L876 W887C489-L496 HydrophobicContact CB-CD1 3.9Å; V490-L496 CarbonylContact O-C 3.6Å; V490-L496 WeakPolarHBondContact O-CA 3.44Å; I491-L496 HydrophobicContact CD1-CD1 4.15Å; I491-L496 HydrophobicContact CG1-CB 4.19Å; I491-L496 HydrophobicContact CG1-CD1 3.53Å; I491-L496 HydrophobicContact CG1-CG 4.49Å; L496-I840 CarbonylContact O-C 3.49Å; L496-I840 WeakPolarHBondContact O-CA 3.39Å; L496-V841 HydrophobicContact CB-CB 4.2Å; L496-V841 HydrophobicContact CD2-CB 4.46Å; L496-V841 PolarHBondContact N-O 3.07Å; L496-V841 PolarHBondContact O-N 3.42Å; L496-I843 HydrophobicContact CB-CD1 3.94Å; L496-I843 HydrophobicContact CB-CG1 3.92Å; L496-F874 HydrophobicContact CD2-CE1 4.34Å; L496-L876 HydrophobicContact CD2-CD1 4.11Å; L496-W887 HydrophobicContact CD1-CZ3 4.13Å
497Y73.1Confident60.5Low10 Ų1067.3 Ų67.34%0.03934%0.336CS..EExtended strand (participates in β ladder)trans-102.6139176.5-57.3-98.9000109.3C489 V490 K495 N831 P832 I840C489-Y497 CarbonylContact C-O 3.52Å; C489-Y497 VanDerWaalsContact CA-O 3.23Å; C489-Y497 WeakPolarHBondContact CA-O 3.31Å; V490-Y497 PolarHBondContact N-O 2.6Å; V490-Y497 PolarHBondContact O-N 3.48Å; K495-Y497 HydrophobicContact CB-CD2 4.42Å; K495-Y497 HydrophobicContact CB-CE2 3.66Å; Y497-N831 HydrophobicContact CD1-CB 4.48Å; Y497-N831 WeakPolarHBondContact CD1-OD1 3.46Å; Y497-N831 HydrophobicContact CE1-CB 4.16Å; Y497-P832 HydrophobicContact CD1-CG 4.31Å; Y497-P832 HydrophobicContact CD2-CG 3.65Å; Y497-P832 HydrophobicContact CE2-CG 3.98Å; Y497-P832 HydrophobicContact CG-CG 3.85Å; Y497-I840 HydrophobicContact CD1-CB 4.45Å; Y497-I840 HydrophobicContact CD1-CD1 4.06Å; Y497-I840 HydrophobicContact CD1-CG1 3.69Å; Y497-I840 HydrophobicContact CD1-CG2 4.17Å; Y497-I840 HydrophobicContact CE1-CD1 3.71Å; Y497-I840 HydrophobicContact CE1-CG1 3.82Å; Y497-I840 HydrophobicContact CE1-CG2 3.93Å
498Y73.9Confident58.4Low13 Ų1370.5 Ų70.55%0.05135%0.353CS..EExtended strand (participates in β ladder)trans-134.7140.2176.464.4-87.5000113.4I476 Y488 K838 G839 V841 F874I476-Y498 HydrophobicContact CD1-CD1 4.38Å; I476-Y498 HydrophobicContact CD1-CD2 4.04Å; I476-Y498 HydrophobicContact CD1-CG 3.92Å; Y488-Y498 WeakPolarHBondContact O-CA 3.25Å; Y498-K838 HydrophobicContact CD2-CB 4.08Å; Y498-K838 HydrophobicContact CD2-CD 4.39Å; Y498-K838 HydrophobicContact CE2-CB 3.92Å; Y498-K838 HydrophobicContact CE2-CD 3.91Å; Y498-K838 HydrophobicContact CE2-CG 3.92Å; Y498-K838 PolarHBondContact O-N 3.29Å; Y498-G839 VanDerWaalsContact CD1-O 3.29Å; Y498-G839 WeakPolarHBondContact CD1-O 3.32Å; Y498-G839 WeakPolarHBondContact CE1-O 3.18Å; Y498-G839 PolarHBondContact N-O 2.69Å; Y498-G839 VanDerWaalsContact N-O 3.16Å; Y498-V841 HydrophobicContact CE1-CG2 4.15Å; Y498-F874 HydrophobicContact CD1-CZ 4.37Å; Y498-F874 AromaticContact CE1-CZ 3.92Å; Y498-F874 HydrophobicContact CE1-CZ 3.92Å
499A69.3Low56.7Low10 Ų1074.5 Ų74.58%0.08338%0.382CS..EExtended strand (participates in β ladder)trans-93.5163.4-174.500000114.6H487 Y488 L833 L836H487-A499 PolarHBondContact ND1-O 2.97Å; Y488-A499 PolarHBondContact O-N 3.01Å; A499-L833 HydrophobicContact CB-CD1 4.19Å; A499-L836 VanDerWaalsContact CA-O 3.26Å; A499-L836 WeakPolarHBondContact CA-O 3.41Å; A499-L836 HydrophobicContact CB-CB 4.43Å
500E61.8Low54.8Low142 Ų14284 Ų8466%0.66442%0.418SS*.PPolyproline II helixtrans-64.9159.6173.9-87.3-164.6159.600114.8L836 K838E500-L836 PolarHBondContact N-O 3.3Å; E500-K838 HydrophobicContact CG-CB 4.12Å; E500-K838 HydrophobicContact CG-CD 4.08Å; E500-K838 HydrophobicContact CG-CG 4.26Å
501E60.2Low53.3Low57 Ų5792 Ų9227%0.26645%0.452SS..PPolyproline II helixtrans-63.1133.3-173.3-169.5176.9-167.400112.9R483 E503R483-E501 IonicContact CZ-OE1 3.43Å; R483-E501 IonicContact NH1-OE1 3.23Å; R483-E501 IonicContact NH2-OE1 2.8Å; R483-E501 PolarHBondContact NH2-OE1 3.35Å; R483-E501 IonicContact NH2-OE2 3.15Å; E501-E503 HydrophobicContact CG-CG 4.32Å
502C38.9Very low51.7Low95 Ų95100.3 Ų100.364%0.64248%0.484SS*.  trans-107113.5160.3-81.30000108.1L334 E504L334-C502 VanDerWaalsContact CD1-SG 3.6Å; C502-E504 PolarHBondContact O-N 2.89Å
503E43.7Very low50.7Low133 Ų133107.9 Ų107.962%0.62152%0.518SS*.  trans-79.4115.4172.1-69.4-172.9164.200109.3E501E501-E503 HydrophobicContact CG-CG 4.32Å
504E34.5Very low50.3Low177 Ų177107 Ų10783%0.82751%0.514SS*.  trans-74.9124149.6-73.6-177.5168.400107C502 D506C502-E504 PolarHBondContact O-N 2.89Å; E504-D506 VanDerWaalsContact C-N 3.3Å; E504-D506 PolarHBondContact O-N 3.19Å
505E33.9Very low50Low184 Ų184108.3 Ų108.386%0.8652%0.52SS*.  trans-69.585.5175.1-70.2-176.7164.100109.5E507E505-E507 PolarHBondContact O-N 3.13Å; E505-E507 VanDerWaalsContact O-N 3.13Å
506D31.6Very low49.8Very low154 Ų154107.1 Ų107.182%0.82452%0.515SS*.  trans-70.9102.9165.2-92-27000109E504 D508E504-D506 VanDerWaalsContact C-N 3.3Å; E504-D506 PolarHBondContact O-N 3.19Å; D506-D508 PolarHBondContact O-N 2.81Å; D506-D508 VanDerWaalsContact O-N 3.08Å
507E33.3Very low49.3Very low171 Ų171110.4 Ų110.480%0.79954%0.538SS*.  trans-63.8104.6170.8-74.7-164.4151.400110.2E505 P509E505-E507 PolarHBondContact O-N 3.13Å; E505-E507 VanDerWaalsContact O-N 3.13Å; E507-P509 WeakPolarHBondContact O-CD 3.16Å
508D30.4Very low48.8Very low72 Ų72114.4 Ų114.439%0.38557%0.567SS.*  trans-60.3116.1171.3-168.9-24.9000109.9D506 R510 K511D506-D508 PolarHBondContact O-N 2.81Å; D506-D508 VanDerWaalsContact O-N 3.08Å; D508-R510 PolarHBondContact O-N 3.18Å; D508-R510 VanDerWaalsContact OD1-CB 3.29Å; D508-R510 WeakPolarHBondContact OD1-CB 3.37Å; D508-R510 WeakPolarHBondContact OD1-CG 3.34Å; D508-R510 IonicContact OD1-CZ 2.74Å; D508-R510 PolarHBondContact OD1-N 3.46Å; D508-R510 IonicContact OD1-NE 3.36Å; D508-R510 PolarHBondContact OD1-NE 2.84Å; D508-R510 IonicContact OD1-NH2 3.81Å; D508-R510 IonicContact OD2-CZ 2.7Å; D508-R510 IonicContact OD2-NE 3.85Å; D508-R510 PolarHBondContact OD2-NE 2.98Å; D508-R510 IonicContact OD2-NH2 3.28Å; D508-R510 PolarHBondContact OD2-NH2 3.44Å; D508-K511 PolarHBondContact O-N 3.37Å
509P36.4Very low48.9Very low107 Ų107116 Ų11670%0.69558%0.575SS**G310 helixtrans-65.3-5.5-179.5-19.432.4000114.1E507 K511E507-P509 WeakPolarHBondContact O-CD 3.16Å; P509-K511 VanDerWaalsContact C-N 3.3Å; P509-K511 PolarHBondContact O-N 3.07Å
510R39.3Very low49Very low199 Ų199118.9 Ų118.975%0.75159%0.593SS**G310 helixtrans-81.2-0.4179.8-67.8176.7-73.7-173.30.4114.6D508 Y512D508-R510 PolarHBondContact O-N 3.18Å; D508-R510 VanDerWaalsContact OD1-CB 3.29Å; D508-R510 WeakPolarHBondContact OD1-CB 3.37Å; D508-R510 WeakPolarHBondContact OD1-CG 3.34Å; D508-R510 IonicContact OD1-CZ 2.74Å; D508-R510 PolarHBondContact OD1-N 3.46Å; D508-R510 IonicContact OD1-NE 3.36Å; D508-R510 PolarHBondContact OD1-NE 2.84Å; D508-R510 IonicContact OD1-NH2 3.81Å; D508-R510 IonicContact OD2-CZ 2.7Å; D508-R510 IonicContact OD2-NE 3.85Å; D508-R510 PolarHBondContact OD2-NE 2.98Å; D508-R510 IonicContact OD2-NH2 3.28Å; D508-R510 PolarHBondContact OD2-NH2 3.44Å; R510-Y512 PolarHBondContact O-N 2.98Å
511K40.6Very low50Low180 Ų180112.2 Ų112.278%0.78356%0.561SS**G310 helixtrans-69.8-4.1179.8-101.1178.1179.7169.40116.2D508 P509D508-K511 PolarHBondContact O-N 3.37Å; P509-K511 VanDerWaalsContact C-N 3.3Å; P509-K511 PolarHBondContact O-N 3.07Å
512Y40.9Very low51.2Low179 Ų179110.4 Ų110.470%0.70255%0.553SS**G310 helixtrans-87-4-171.5-72.9-80.7000116.2R510 L515R510-Y512 PolarHBondContact O-N 2.98Å; Y512-L515 HydrophobicContact CD1-CD1 4.44Å
513Q44.1Very low53.2Low173 Ų173106.2 Ų106.281%0.80852%0.524SS*.SBendtrans-92.4-15.9-173.7-113.5150.73.200115.6
514D54.6Low54.8Low107 Ų107100.6 Ų100.657%0.57250%0.501SS*.  trans-131.433.1-173.8-71.9-39.9000115.1H516 C517D514-H516 PolarHBondContact O-N 2.99Å; D514-C517 HydrophobicContact CB-CB 4.46Å; D514-C517 WeakPolarHBondContact O-CB 3.17Å; D514-C517 PolarHBondContact O-N 3.09Å
515L60.1Low56.9Low70 Ų70101.6 Ų101.637%0.36650%0.498SS..THydrogen-bonded Turntrans-52.1-28.9-178.6-86.1146.4000115.5Y512 S518 Y600Y512-L515 HydrophobicContact CD1-CD1 4.44Å; L515-S518 PolarHBondContact O-OG 3.28Å; L515-Y600 HydrophobicContact CB-CG 4.27Å
516H69Low59Low13 Ų1394 Ų946%0.0646%0.463CS..THydrogen-bonded Turntrans-80.5-18.7-178.565-76.2000113.3D514 S518 E519 W521 F522 F563 V599D514-H516 PolarHBondContact O-N 2.99Å; H516-S518 VanDerWaalsContact C-N 3.26Å; H516-S518 PolarHBondContact O-N 3.44Å; H516-E519 WeakPolarHBondContact O-CB 3.42Å; H516-E519 PolarHBondContact O-N 3.42Å; H516-W521 HydrophobicContact CB-CH2 3.77Å; H516-W521 HydrophobicContact CB-CZ2 4.49Å; H516-W521 HydrophobicContact CB-CZ3 4.42Å; H516-F522 AromaticContact CD2-CD2 3.88Å; H516-F522 AromaticContact CD2-CE1 3.97Å; H516-F522 AromaticContact CD2-CE2 3.66Å; H516-F522 AromaticContact CD2-CZ 3.7Å; H516-F522 AromaticContact NE2-CZ 3.92Å; H516-F522 WeakPolarHBondContact O-CB 3.39Å; H516-F522 WeakPolarHBondContact O-CG 3.45Å; H516-F563 AromaticContact NE2-CZ 3.86Å; H516-V599 HydrophobicContact CB-CB 4.27Å
517C65.1Low60.7Low73 Ų7395.1 Ų95.149%0.49346%0.463SS..THydrogen-bonded Turntrans-72.5-20.9-179-68.40000112.9D514D514-C517 HydrophobicContact CB-CB 4.46Å; D514-C517 WeakPolarHBondContact O-CB 3.17Å; D514-C517 PolarHBondContact O-N 3.09Å
518S63.7Low62.4Low94 Ų9493.6 Ų93.666%0.65746%0.456SS*.THydrogen-bonded Turntrans-87.5-6174.548.50000113.9L515 H516L515-S518 PolarHBondContact O-OG 3.28Å; H516-S518 VanDerWaalsContact C-N 3.26Å; H516-S518 PolarHBondContact O-N 3.44Å
519E76.7Confident64.6Low45 Ų4590.2 Ų90.221%0.2144%0.438CS..  trans-85.1138.8-172.4-69.2-67.1128.900112.8H516 W521 F522 Y600H516-E519 WeakPolarHBondContact O-CB 3.42Å; H516-E519 PolarHBondContact O-N 3.42Å; E519-W521 VanDerWaalsContact C-N 3.25Å; E519-W521 HydrophobicContact CB-CD2 3.91Å; E519-W521 VanDerWaalsContact CB-CE2 3.41Å; E519-W521 HydrophobicContact CB-CG 4.23Å; E519-W521 HydrophobicContact CB-CH2 4.44Å; E519-W521 HydrophobicContact CB-CZ2 3.74Å; E519-W521 HydrophobicContact CG-CH2 4.46Å; E519-W521 HydrophobicContact CG-CZ2 3.6Å; E519-W521 PolarHBondContact O-N 2.65Å; E519-W521 PolarHBondContact OE2-NE1 2.83Å; E519-F522 HydrophobicContact CB-CB 4.44Å; E519-F522 PolarHBondContact O-N 3Å; E519-Y600 HydrophobicContact CG-CD2 3.78Å; E519-Y600 HydrophobicContact CG-CE2 3.96Å; E519-Y600 WeakPolarHBondContact OE1-CE2 3.38Å
520P69.4Low66.7Low71 Ų7191.8 Ų91.846%0.46143%0.43SS..THydrogen-bonded Turntrans-66.3-26.1-176.226.2-34.1000113.4F522 K626P520-F522 VanDerWaalsContact C-N 3.28Å; P520-F522 PolarHBondContact O-N 2.66Å; P520-K626 PolarHBondContact O-N 2.95Å
521W84.3Confident68.8Low2 Ų287 Ų871%0.00842%0.419CS..THydrogen-bonded Turntrans-76.9-10.9175.348.6-96.1000113.2H516 E519 H523 F551 L552 V553 V599 Y600 I603 A623H516-W521 HydrophobicContact CB-CH2 3.77Å; H516-W521 HydrophobicContact CB-CZ2 4.49Å; H516-W521 HydrophobicContact CB-CZ3 4.42Å; E519-W521 VanDerWaalsContact C-N 3.25Å; E519-W521 HydrophobicContact CB-CD2 3.91Å; E519-W521 VanDerWaalsContact CB-CE2 3.41Å; E519-W521 HydrophobicContact CB-CG 4.23Å; E519-W521 HydrophobicContact CB-CH2 4.44Å; E519-W521 HydrophobicContact CB-CZ2 3.74Å; E519-W521 HydrophobicContact CG-CH2 4.46Å; E519-W521 HydrophobicContact CG-CZ2 3.6Å; E519-W521 PolarHBondContact O-N 2.65Å; E519-W521 PolarHBondContact OE2-NE1 2.83Å; W521-H523 PolarHBondContact O-CD2 3.12Å; W521-F551 HydrophobicContact CB-CD2 4.34Å; W521-F551 HydrophobicContact CB-CE2 3.71Å; W521-F551 HydrophobicContact CB-CZ 4.07Å; W521-F551 HydrophobicContact CD2-CE2 4.12Å; W521-F551 HydrophobicContact CE3-CE2 4.46Å; W521-F551 AromaticContact CG-CE2 3.8Å; W521-F551 HydrophobicContact CG-CE2 3.8Å; W521-F551 HydrophobicContact CG-CZ 4.03Å; W521-L552 CarbonylContact O-C 3.58Å; W521-L552 WeakPolarHBondContact O-CA 3.2Å; W521-V553 HydrophobicContact CE3-CB 3.73Å; W521-V553 HydrophobicContact CE3-CG2 3.54Å; W521-V553 HydrophobicContact CZ3-CB 3.84Å; W521-V553 HydrophobicContact CZ3-CG1 4.37Å; W521-V553 HydrophobicContact CZ3-CG2 3.71Å; W521-V553 PolarHBondContact O-N 3.38Å; W521-V599 HydrophobicContact CH2-CG1 4.16Å; W521-V599 HydrophobicContact CZ3-CG1 4.12Å; W521-Y600 HydrophobicContact CZ2-CD2 4.1Å; W521-I603 HydrophobicContact CD2-CG2 4.29Å; W521-I603 HydrophobicContact CE3-CG1 4.31Å; W521-I603 HydrophobicContact CH2-CB 4.07Å; W521-I603 HydrophobicContact CH2-CG1 3.74Å; W521-I603 HydrophobicContact CH2-CG2 4.43Å; W521-I603 HydrophobicContact CZ2-CB 4.02Å; W521-I603 HydrophobicContact CZ2-CG1 4.18Å; W521-I603 HydrophobicContact CZ2-CG2 4.02Å; W521-I603 HydrophobicContact CZ3-CG1 3.82Å; W521-A623 HydrophobicContact CB-CB 3.66Å; W521-A623 HydrophobicContact CG-CB 4.32Å
522F85.3Confident70.7Confident20 Ų2081.3 Ų81.39%0.08840%0.395CS..BIsolated β-bridgetrans-97.1111.2-178.6-175.8-106.4000111.7H516 E519 P520 V553 F563H516-F522 AromaticContact CD2-CD2 3.88Å; H516-F522 AromaticContact CD2-CE1 3.97Å; H516-F522 AromaticContact CD2-CE2 3.66Å; H516-F522 AromaticContact CD2-CZ 3.7Å; H516-F522 AromaticContact NE2-CZ 3.92Å; H516-F522 WeakPolarHBondContact O-CB 3.39Å; H516-F522 WeakPolarHBondContact O-CG 3.45Å; E519-F522 HydrophobicContact CB-CB 4.44Å; E519-F522 PolarHBondContact O-N 3Å; P520-F522 VanDerWaalsContact C-N 3.28Å; P520-F522 PolarHBondContact O-N 2.66Å; F522-V553 HydrophobicContact CD2-CB 4.2Å; F522-V553 HydrophobicContact CD2-CG1 4.06Å; F522-V553 HydrophobicContact CE2-CG1 4.38Å; F522-F563 AromaticContact CE2-CD1 3.68Å; F522-F563 HydrophobicContact CE2-CD1 3.68Å; F522-F563 AromaticContact CE2-CE1 3.57Å; F522-F563 HydrophobicContact CE2-CE1 3.57Å; F522-F563 HydrophobicContact CZ-CD1 4.23Å; F522-F563 AromaticContact CZ-CE1 3.69Å; F522-F563 HydrophobicContact CZ-CE1 3.69Å
523H80.1Confident72.7Confident7 Ų772.8 Ų72.83%0.03236%0.362CS..  trans-97.80.7-172-72.8-137.4000112.9W521 I526 V553 V624 P625W521-H523 PolarHBondContact O-CD2 3.12Å; H523-I526 HydrophobicContact CB-CD1 3.57Å; H523-I526 HydrophobicContact CB-CG1 3.88Å; H523-V553 PolarHBondContact N-O 2.89Å; H523-V624 PolarHBondContact NE2-O 3.33Å; H523-P625 PolarHBondContact CE1-O 3.42Å
524G77.5Confident74.7Confident14 Ų1467.1 Ų67.114%0.14434%0.336CS..  trans59.4-138.1-177.600000112.1R554 Q555G524-R554 CarbonylContact O-C 3.53Å; G524-R554 WeakPolarHBondContact O-CA 3.44Å; G524-R554 WeakPolarHBondContact O-CB 3.37Å; G524-Q555 PolarHBondContact O-N 2.94Å
525R79.2Confident76.1Confident199 Ų19968.8 Ų68.875%0.75133%0.334SS*.SBendtrans-89.1119176.3-163.1173.7-174-174.41.6110.2
526I78.6Confident77.3Confident25 Ų2566.6 Ų66.613%0.12832%0.323CS..PPolyproline II helixtrans-103.1136.7-177.3-49.5177.1000109.9H523 G529 M532 L552 R554H523-I526 HydrophobicContact CB-CD1 3.57Å; H523-I526 HydrophobicContact CB-CG1 3.88Å; I526-G529 PolarHBondContact O-N 3.27Å; I526-G529 VanDerWaalsContact O-N 3.16Å; I526-M532 HydrophobicContact CG2-CB 3.65Å; I526-M532 HydrophobicContact CG2-CG 3.54Å; I526-L552 HydrophobicContact CD1-CD1 4.27Å; I526-R554 HydrophobicContact CD1-CB 3.76Å; I526-R554 HydrophobicContact CD1-CG 4.47Å; I526-R554 HydrophobicContact CG1-CB 4.1Å
527Q66.6Low78Confident176 Ų17666 Ų6682%0.82232%0.32SS*.THydrogen-bonded Turntrans-65.9136.9171.2-78.9-178.6-10.500110.5G529 M532Q527-G529 PolarHBondContact O-N 3.44Å; Q527-M532 WeakPolarHBondContact O-CB 3.35Å
528E69.9Low78.9Confident139 Ų13967.3 Ų67.365%0.6532%0.318SS*.THydrogen-bonded Turntrans59.311.2-171.1-52.8-174.9167.400114.7R530 L531E528-R530 PolarHBondContact O-N 3.39Å; E528-L531 PolarHBondContact O-N 2.94Å
529G75.9Confident79.7Confident1 Ų166.9 Ų66.91%0.0131%0.309CS..Hα-helixtrans45.4-96.2163.600000115.3I526 Q527 A533 D557I526-G529 PolarHBondContact O-N 3.27Å; I526-G529 VanDerWaalsContact O-N 3.16Å; Q527-G529 PolarHBondContact O-N 3.44Å; G529-A533 WeakPolarHBondContact O-CB 3.43Å; G529-A533 PolarHBondContact O-N 3.01Å; G529-D557 WeakPolarHBondContact CA-OD2 3.3Å
530R80.9Confident79.9Confident141 Ų14167.3 Ų67.353%0.53231%0.309SS..Hα-helixtrans-64.3-48.2-178-175.6178.7175.51661.5113.3E528 M532 A533 E534E528-R530 PolarHBondContact O-N 3.39Å; R530-M532 VanDerWaalsContact C-N 3.33Å; R530-M532 PolarHBondContact O-N 3.28Å; R530-A533 PolarHBondContact O-N 2.99Å; R530-E534 IonicContact CZ-OE1 3.65Å; R530-E534 IonicContact NE-OE1 3.4Å; R530-E534 PolarHBondContact NE-OE1 3.37Å; R530-E534 IonicContact NH2-OE1 3.25Å; R530-E534 PolarHBondContact NH2-OE1 3.17Å; R530-E534 WeakPolarHBondContact O-CG 3.13Å; R530-E534 PolarHBondContact O-N 3.02Å
531L82.2Confident80.4Confident98 Ų9864.3 Ų64.351%0.51329%0.289SS..Hα-helixtrans-65.7-39.5-173.6-71.2167000111.3E528 E534 R535E528-L531 PolarHBondContact O-N 2.94Å; L531-E534 PolarHBondContact O-N 3.33Å; L531-R535 WeakPolarHBondContact O-CG 3.39Å; L531-R535 PolarHBondContact O-N 3.01Å
532M81.1Confident80.1Confident60 Ų6067.8 Ų67.830%0.29632%0.318SS..Hα-helixtrans-69.4-39177.3-167.964.7-17100111.9I526 Q527 R530 E534 R535 L536I526-M532 HydrophobicContact CG2-CB 3.65Å; I526-M532 HydrophobicContact CG2-CG 3.54Å; Q527-M532 WeakPolarHBondContact O-CB 3.35Å; R530-M532 VanDerWaalsContact C-N 3.33Å; R530-M532 PolarHBondContact O-N 3.28Å; M532-E534 VanDerWaalsContact C-N 3.33Å; M532-E534 PolarHBondContact O-N 3.35Å; M532-R535 PolarHBondContact O-N 3.48Å; M532-L536 HydrophobicContact CE-CD1 4.35Å; M532-L536 HydrophobicContact CE-CD2 3.94Å; M532-L536 HydrophobicContact CE-CG 4.08Å; M532-L536 HydrophobicContact CG-CD1 4.28Å; M532-L536 HydrophobicContact CG-CG 4.48Å; M532-L536 VanDerWaalsContact O-CG 3.31Å; M532-L536 WeakPolarHBondContact O-CG 3.27Å; M532-L536 PolarHBondContact O-N 3.28Å
533A83.1Confident79.3Confident0 Ų074.1 Ų74.10%035%0.349CS..Hα-helixtrans-62.7-38.5173.500000112.6G529 R530 I537 L552G529-A533 WeakPolarHBondContact O-CB 3.43Å; G529-A533 PolarHBondContact O-N 3.01Å; R530-A533 PolarHBondContact O-N 2.99Å; A533-I537 WeakPolarHBondContact O-CG1 3.49Å; A533-I537 PolarHBondContact O-N 3.4Å; A533-L552 HydrophobicContact CB-CD1 4.05Å; A533-L552 HydrophobicContact CB-CD2 4.48Å
534E86.7Confident78.7Confident55 Ų5577 Ų7726%0.25737%0.367SS..Hα-helixtrans-64.5-43.2174.8-69.7176-17800111.3R530 L531 M532 H538 V573 H575R530-E534 IonicContact CZ-OE1 3.65Å; R530-E534 IonicContact NE-OE1 3.4Å; R530-E534 PolarHBondContact NE-OE1 3.37Å; R530-E534 IonicContact NH2-OE1 3.25Å; R530-E534 PolarHBondContact NH2-OE1 3.17Å; R530-E534 WeakPolarHBondContact O-CG 3.13Å; R530-E534 PolarHBondContact O-N 3.02Å; L531-E534 PolarHBondContact O-N 3.33Å; M532-E534 VanDerWaalsContact C-N 3.33Å; M532-E534 PolarHBondContact O-N 3.35Å; E534-H538 WeakPolarHBondContact O-CB 3.5Å; E534-H538 PolarHBondContact O-N 2.94Å; E534-V573 HydrophobicContact CB-CB 4.48Å; E534-V573 HydrophobicContact CG-CB 4.05Å; E534-V573 HydrophobicContact CG-CG1 4.04Å; E534-H575 WeakPolarHBondContact CG-NE2 3.45Å; E534-H575 IonicContact OE1-CD2 2.76Å; E534-H575 IonicContact OE1-NE2 3.06Å; E534-H575 PolarHBondContact OE1-NE2 3.02Å
535R83.9Confident78.1Confident142 Ų14279.7 Ų79.754%0.53639%0.394SS..Hα-helixtrans-62.2-50175.2-73.8-179-175.3164.24.3112.6L531 M532 I537 H538 D539L531-R535 WeakPolarHBondContact O-CG 3.39Å; L531-R535 PolarHBondContact O-N 3.01Å; M532-R535 PolarHBondContact O-N 3.48Å; R535-I537 VanDerWaalsContact C-N 3.35Å; R535-I537 PolarHBondContact O-N 3.33Å; R535-H538 WeakPolarHBondContact O-CB 3.42Å; R535-H538 PolarHBondContact O-N 3.02Å; R535-H538 VanDerWaalsContact O-N 3.1Å; R535-D539 WeakPolarHBondContact O-CB 3.34Å; R535-D539 VanDerWaalsContact O-CG 3.24Å; R535-D539 PolarHBondContact O-N 3.19Å
536L83.4Confident77.3Confident24 Ų2471.3 Ų71.313%0.12637%0.37CS..Hα-helixtrans-60.5-42-177.2-70.8173.9000113M532 Y540 L552 P627M532-L536 HydrophobicContact CE-CD1 4.35Å; M532-L536 HydrophobicContact CE-CD2 3.94Å; M532-L536 HydrophobicContact CE-CG 4.08Å; M532-L536 HydrophobicContact CG-CD1 4.28Å; M532-L536 HydrophobicContact CG-CG 4.48Å; M532-L536 VanDerWaalsContact O-CG 3.31Å; M532-L536 WeakPolarHBondContact O-CG 3.27Å; M532-L536 PolarHBondContact O-N 3.28Å; L536-Y540 VanDerWaalsContact O-CB 3.23Å; L536-Y540 WeakPolarHBondContact O-CB 3.4Å; L536-Y540 PolarHBondContact O-N 2.89Å; L536-Y540 VanDerWaalsContact O-N 3.1Å; L536-L552 HydrophobicContact CB-CD2 4.21Å; L536-P627 HydrophobicContact CD1-CG 4.18Å; L536-P627 HydrophobicContact CD2-CB 4.33Å; L536-P627 HydrophobicContact CD2-CG 3.66Å
537I83.8Confident77.4Confident0 Ų075.3 Ų75.30%039%0.388CS..Hα-helixtrans-68.5-41.2175.6-63169.6000110.3A533 R535 C541 L552 S566 W568 V573 V624A533-I537 WeakPolarHBondContact O-CG1 3.49Å; A533-I537 PolarHBondContact O-N 3.4Å; R535-I537 VanDerWaalsContact C-N 3.35Å; R535-I537 PolarHBondContact O-N 3.33Å; I537-C541 VanDerWaalsContact O-CB 3.26Å; I537-C541 WeakPolarHBondContact O-CB 3.5Å; I537-C541 PolarHBondContact O-N 3.23Å; I537-C541 PolarHBondContact O-SG 3.19Å; I537-L552 HydrophobicContact CD1-CD2 4.05Å; I537-L552 HydrophobicContact CD1-CG 4.03Å; I537-L552 HydrophobicContact CG1-CD2 3.66Å; I537-L552 HydrophobicContact CG1-CG 4.13Å; I537-S566 WeakPolarHBondContact CD1-O 3.38Å; I537-W568 HydrophobicContact CG2-CB 3.84Å; I537-W568 HydrophobicContact CG2-CD2 4.45Å; I537-W568 HydrophobicContact CG2-CE3 3.87Å; I537-V573 HydrophobicContact CB-CG2 3.91Å; I537-V573 HydrophobicContact CD1-CG1 3.74Å; I537-V573 HydrophobicContact CD1-CG2 4.39Å; I537-V573 HydrophobicContact CG2-CG2 3.88Å; I537-V624 HydrophobicContact CB-CG2 4.49Å; I537-V624 HydrophobicContact CG1-CG2 3.97Å
538H84.4Confident78.2Confident100 Ų10069.9 Ų69.946%0.46337%0.365SS..Hα-helixtrans-63.4-47.5179.9-178-80.5000112.3E534 R535 C541 A542 W568E534-H538 WeakPolarHBondContact O-CB 3.5Å; E534-H538 PolarHBondContact O-N 2.94Å; R535-H538 WeakPolarHBondContact O-CB 3.42Å; R535-H538 PolarHBondContact O-N 3.02Å; R535-H538 VanDerWaalsContact O-N 3.1Å; H538-C541 PolarHBondContact O-N 2.97Å; H538-A542 WeakPolarHBondContact O-CB 3.45Å; H538-A542 PolarHBondContact O-N 3.35Å; H538-W568 HydrophobicContact CB-CZ3 4.25Å; H538-W568 AromaticContact CD2-CH2 3.87Å; H538-W568 AromaticContact CD2-CZ3 3.98Å
539D80.7Confident78.8Confident86 Ų8663.3 Ų63.346%0.4633%0.334SS..Hα-helixtrans-64.1-45.3179.4-64-17.1000110.4R535 C541 A542 E543R535-D539 WeakPolarHBondContact O-CB 3.34Å; R535-D539 VanDerWaalsContact O-CG 3.24Å; R535-D539 PolarHBondContact O-N 3.19Å; D539-C541 PolarHBondContact O-N 3.17Å; D539-A542 PolarHBondContact O-N 3.3Å; D539-E543 PolarHBondContact O-N 3.24Å; D539-E543 VanDerWaalsContact O-N 3.1Å
540Y80.1Confident79.3Confident54 Ų5463.2 Ų63.221%0.21233%0.333CS..Hα-helixtrans-60.2-44.4174.8-175-94.8000112.3L536 A542 E543 T544 T550 V624 P625L536-Y540 VanDerWaalsContact O-CB 3.23Å; L536-Y540 WeakPolarHBondContact O-CB 3.4Å; L536-Y540 PolarHBondContact O-N 2.89Å; L536-Y540 VanDerWaalsContact O-N 3.1Å; Y540-A542 VanDerWaalsContact C-N 3.33Å; Y540-A542 PolarHBondContact O-N 2.78Å; Y540-E543 PolarHBondContact O-N 3.27Å; Y540-T544 HydrophobicContact CD1-CG2 4.35Å; Y540-T544 HydrophobicContact CD2-CG2 4.32Å; Y540-T544 HydrophobicContact CE1-CG2 4Å; Y540-T544 HydrophobicContact CE2-CG2 3.97Å; Y540-T544 WeakPolarHBondContact O-CB 3.31Å; Y540-T544 WeakPolarHBondContact O-CG2 3.38Å; Y540-T544 PolarHBondContact O-N 3.43Å; Y540-T544 PolarHBondContact O-OG1 2.93Å; Y540-T550 HydrophobicContact CD1-CG2 3.76Å; Y540-T550 HydrophobicContact CE1-CG2 3.9Å; Y540-V624 HydrophobicContact CD1-CG2 3.91Å; Y540-V624 HydrophobicContact CD2-CG1 4.42Å; Y540-V624 HydrophobicContact CE1-CG2 4.49Å; Y540-V624 HydrophobicContact CG-CG1 4.14Å; Y540-V624 HydrophobicContact CG-CG2 4.14Å; Y540-P625 HydrophobicContact CD2-CG 4.44Å; Y540-P625 VanDerWaalsContact CE2-CD 3.48Å; Y540-P625 HydrophobicContact CE2-CG 4.09Å
541C80.9Confident79.8Confident7 Ų756.5 Ų56.55%0.04731%0.308CS..Hα-helixtrans-68.2-32178.2-69.50000112.5I537 H538 D539 G545 G546 W568I537-C541 VanDerWaalsContact O-CB 3.26Å; I537-C541 WeakPolarHBondContact O-CB 3.5Å; I537-C541 PolarHBondContact O-N 3.23Å; I537-C541 PolarHBondContact O-SG 3.19Å; H538-C541 PolarHBondContact O-N 2.97Å; D539-C541 PolarHBondContact O-N 3.17Å; C541-G545 CarbonylContact O-C 3.44Å; C541-G545 PolarHBondContact O-N 2.8Å; C541-G545 VanDerWaalsContact O-N 3.07Å; C541-G546 PolarHBondContact O-N 3.12Å; C541-W568 HydrophobicContact CB-CD2 4.19Å; C541-W568 HydrophobicContact CB-CE3 4.42Å; C541-W568 HydrophobicContact CB-CZ2 4.28Å
542A77Confident80.2Confident75 Ų7551.9 Ų51.962%0.6228%0.283SS*.Hα-helixtrans-67.7-35.6175.800000112.1H538 D539 Y540H538-A542 WeakPolarHBondContact O-CB 3.45Å; H538-A542 PolarHBondContact O-N 3.35Å; D539-A542 PolarHBondContact O-N 3.3Å; Y540-A542 VanDerWaalsContact C-N 3.33Å; Y540-A542 PolarHBondContact O-N 2.78Å
543E69.8Low80.6Confident154 Ų15449 Ų4972%0.7227%0.269SS*.Hα-helixtrans-79.9-38.4178.2-70179.7178.700113.2D539 Y540D539-E543 PolarHBondContact O-N 3.24Å; D539-E543 VanDerWaalsContact O-N 3.1Å; Y540-E543 PolarHBondContact O-N 3.27Å
544T66.3Low80.9Confident68 Ų6849.5 Ų49.542%0.41727%0.271SS..Hα-helixtrans-96.3-7.6-172.358.10000114.8Y540Y540-T544 HydrophobicContact CD1-CG2 4.35Å; Y540-T544 HydrophobicContact CD2-CG2 4.32Å; Y540-T544 HydrophobicContact CE1-CG2 4Å; Y540-T544 HydrophobicContact CE2-CG2 3.97Å; Y540-T544 WeakPolarHBondContact O-CB 3.31Å; Y540-T544 WeakPolarHBondContact O-CG2 3.38Å; Y540-T544 PolarHBondContact O-N 3.43Å; Y540-T544 PolarHBondContact O-OG1 2.93Å
545G65.2Low80.8Confident70 Ų7050.5 Ų50.572%0.72228%0.276SS*.  trans88.77.1-177.800000114.9C541C541-G545 CarbonylContact O-C 3.44Å; C541-G545 PolarHBondContact O-N 2.8Å; C541-G545 VanDerWaalsContact O-N 3.07Å
546G63Low80.6Confident23 Ų2344.7 Ų44.724%0.23726%0.257CS..  trans54.193.2161.100000116.5C541C541-G546 PolarHBondContact O-N 3.12Å
547Q80.8Confident80.2Confident109 Ų10947.3 Ų47.351%0.50927%0.271SS..  trans-91.2139.9171.6-169.7175.910.200111.6G549 T550 T621Q547-G549 PolarHBondContact O-N 3.37Å; Q547-T550 PolarHBondContact O-N 3.42Å; Q547-T550 PolarHBondContact O-OG1 3.24Å; Q547-T621 HydrophobicContact CG-CG2 4.5Å
548D83.5Confident79.4Confident62 Ų6257.7 Ų57.733%0.33231%0.31SS..THydrogen-bonded Turntrans-59.6126.3169-87.917.5000109.7R569 T570 L618D548-R569 WeakPolarHBondContact OD1-CA 3.4Å; D548-T570 PolarHBondContact OD1-N 2.83Å; D548-T570 PolarHBondContact OD2-N 3.2Å; D548-L618 HydrophobicContact CB-CD1 3.93Å
549G81.4Confident78.8Confident0 Ų058.3 Ų58.30%031%0.309CS..THydrogen-bonded Turntrans108.3-9.1-17500000115Q547 F551 W568 R619 T621Q547-G549 PolarHBondContact O-N 3.37Å; G549-F551 WeakPolarHBondContact O-CD1 3.38Å; G549-F551 PolarHBondContact O-N 2.91Å; G549-W568 PolarHBondContact N-O 2.88Å; G549-R619 WeakPolarHBondContact CA-O 3.43Å; G549-T621 WeakPolarHBondContact CA-OG1 3.32Å; G549-T621 PolarHBondContact O-N 3.1Å; G549-T621 PolarHBondContact O-OG1 3.03Å
550T87.6Confident78.1Confident0 Ų061.1 Ų61.10%033%0.33CS..  trans-63128.8175.8-63.60000110.8Y540 Q547 F567 W568 T621 E622 V624Y540-T550 HydrophobicContact CD1-CG2 3.76Å; Y540-T550 HydrophobicContact CE1-CG2 3.9Å; Q547-T550 PolarHBondContact O-N 3.42Å; Q547-T550 PolarHBondContact O-OG1 3.24Å; T550-F567 CarbonylContact O-C 3.52Å; T550-F567 WeakPolarHBondContact O-CA 3.28Å; T550-W568 PolarHBondContact O-N 2.92Å; T550-T621 PolarHBondContact N-OG1 3.5Å; T550-E622 CarbonylContact C-O 3.49Å; T550-E622 WeakPolarHBondContact CA-O 3.23Å; T550-E622 HydrophobicContact CG2-CB 4.43Å; T550-V624 HydrophobicContact CG2-CG2 3.47Å; T550-V624 VanDerWaalsContact CG2-CG2 3.47Å
551F91.3Very high77.5Confident0 Ų063.1 Ų63.10%035%0.347CS..EExtended strand (participates in β ladder)trans-145.6161.8-163.476.9-78.4000116W521 G549 V553 L565 S566 F567 I603 L620 E622 V624W521-F551 HydrophobicContact CB-CD2 4.34Å; W521-F551 HydrophobicContact CB-CE2 3.71Å; W521-F551 HydrophobicContact CB-CZ 4.07Å; W521-F551 HydrophobicContact CD2-CE2 4.12Å; W521-F551 HydrophobicContact CE3-CE2 4.46Å; W521-F551 AromaticContact CG-CE2 3.8Å; W521-F551 HydrophobicContact CG-CE2 3.8Å; W521-F551 HydrophobicContact CG-CZ 4.03Å; G549-F551 WeakPolarHBondContact O-CD1 3.38Å; G549-F551 PolarHBondContact O-N 2.91Å; F551-V553 HydrophobicContact CD2-CG2 4.47Å; F551-L565 HydrophobicContact CB-CD1 4.03Å; F551-L565 HydrophobicContact CD2-CD1 3.54Å; F551-L565 HydrophobicContact CE2-CD1 4.42Å; F551-L565 HydrophobicContact CG-CD1 4.14Å; F551-S566 CarbonylContact C-O 3.56Å; F551-S566 WeakPolarHBondContact CA-O 3.32Å; F551-S566 WeakPolarHBondContact CB-O 3.46Å; F551-F567 HydrophobicContact CB-CB 3.76Å; F551-I603 HydrophobicContact CE2-CD1 4.3Å; F551-I603 HydrophobicContact CE2-CG2 3.6Å; F551-I603 HydrophobicContact CZ-CG2 3.65Å; F551-L620 HydrophobicContact CB-CD2 3.91Å; F551-L620 HydrophobicContact CD1-CB 3.76Å; F551-L620 HydrophobicContact CD1-CD2 4.11Å; F551-L620 HydrophobicContact CD1-CG 4.34Å; F551-L620 HydrophobicContact CD2-CD1 4.19Å; F551-L620 HydrophobicContact CD2-CD2 4.43Å; F551-L620 HydrophobicContact CE1-CB 3.77Å; F551-L620 HydrophobicContact CE2-CD1 4.19Å; F551-L620 HydrophobicContact CG-CB 4.32Å; F551-L620 HydrophobicContact CG-CD1 4.34Å; F551-L620 HydrophobicContact CG-CD2 3.89Å; F551-L620 HydrophobicContact CG-CG 4.41Å; F551-L620 HydrophobicContact CZ-CB 4.33Å; F551-L620 HydrophobicContact CZ-CD1 4.36Å; F551-E622 WeakPolarHBondContact CD1-O 3.23Å; F551-E622 PolarHBondContact N-O 3.03Å; F551-V624 PolarHBondContact O-N 3.49Å
552L90.3Very high77.6Confident0 Ų063.1 Ų63.10%035%0.347CS..EExtended strand (participates in β ladder)trans-143158.1164.367.786.2000111.3W521 I526 A533 L536 I537 R554 S566 V624W521-L552 CarbonylContact O-C 3.58Å; W521-L552 WeakPolarHBondContact O-CA 3.2Å; I526-L552 HydrophobicContact CD1-CD1 4.27Å; A533-L552 HydrophobicContact CB-CD1 4.05Å; A533-L552 HydrophobicContact CB-CD2 4.48Å; L536-L552 HydrophobicContact CB-CD2 4.21Å; I537-L552 HydrophobicContact CD1-CD2 4.05Å; I537-L552 HydrophobicContact CD1-CG 4.03Å; I537-L552 HydrophobicContact CG1-CD2 3.66Å; I537-L552 HydrophobicContact CG1-CG 4.13Å; L552-R554 HydrophobicContact CD1-CB 4.39Å; L552-S566 PolarHBondContact N-O 2.98Å; L552-S566 PolarHBondContact O-N 3.05Å; L552-V624 HydrophobicContact CB-CB 4.32Å; L552-V624 HydrophobicContact CD2-CB 4.36Å; L552-V624 HydrophobicContact CD2-CG1 4.39Å
553V89.4Confident78.1Confident0 Ų060.3 Ų60.30%032%0.321CS..EExtended strand (participates in β ladder)trans-118.7136.2175.8-177.70000109.8W521 F522 H523 F551 F563 T564 L565 I578 V599 I603W521-V553 HydrophobicContact CE3-CB 3.73Å; W521-V553 HydrophobicContact CE3-CG2 3.54Å; W521-V553 HydrophobicContact CZ3-CB 3.84Å; W521-V553 HydrophobicContact CZ3-CG1 4.37Å; W521-V553 HydrophobicContact CZ3-CG2 3.71Å; W521-V553 PolarHBondContact O-N 3.38Å; F522-V553 HydrophobicContact CD2-CB 4.2Å; F522-V553 HydrophobicContact CD2-CG1 4.06Å; F522-V553 HydrophobicContact CE2-CG1 4.38Å; H523-V553 PolarHBondContact N-O 2.89Å; F551-V553 HydrophobicContact CD2-CG2 4.47Å; V553-F563 HydrophobicContact CG1-CB 4.03Å; V553-T564 WeakPolarHBondContact CA-O 3.47Å; V553-L565 HydrophobicContact CG2-CB 4.49Å; V553-L565 HydrophobicContact CG2-CD1 3.75Å; V553-I578 HydrophobicContact CG1-CD1 4.08Å; V553-V599 HydrophobicContact CG1-CG1 4.26Å; V553-I603 HydrophobicContact CG2-CD1 3.65Å; V553-I603 HydrophobicContact CG2-CG1 4.1Å
554R88.4Confident79Confident11 Ų1153.5 Ų53.54%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-134.5158.7178.664-175-179.985.8-5.1111.6G524 I526 L552 D557 F563 T564G524-R554 CarbonylContact O-C 3.53Å; G524-R554 WeakPolarHBondContact O-CA 3.44Å; G524-R554 WeakPolarHBondContact O-CB 3.37Å; I526-R554 HydrophobicContact CD1-CB 3.76Å; I526-R554 HydrophobicContact CD1-CG 4.47Å; I526-R554 HydrophobicContact CG1-CB 4.1Å; L552-R554 HydrophobicContact CD1-CB 4.39Å; R554-D557 IonicContact CZ-OD2 2.87Å; R554-D557 IonicContact NH1-OD1 2.7Å; R554-D557 IonicContact NH1-OD2 3.03Å; R554-D557 PolarHBondContact NH1-OD2 3.42Å; R554-D557 IonicContact NH2-OD2 3.01Å; R554-F563 CarbonylContact O-C 3.6Å; R554-F563 WeakPolarHBondContact O-CA 3.33Å; R554-T564 PolarHBondContact N-O 3.16Å; R554-T564 PolarHBondContact O-N 2.97Å
555Q85.1Confident80.1Confident76 Ų7650.3 Ų50.336%0.35527%0.27SS..EExtended strand (participates in β ladder)trans-64143.2168.1-74.8-179.6-9.700110.3G524 F563G524-Q555 PolarHBondContact O-N 2.94Å; Q555-F563 HydrophobicContact CG-CD1 3.9Å; Q555-F563 HydrophobicContact CG-CE1 3.62Å
556S80.3Confident81.3Confident20 Ų2047 Ų4714%0.1424%0.236CC..  trans-75.1128.7-179-167.90000111.1R558 Y559 D562S556-R558 PolarHBondContact O-N 3.27Å; S556-Y559 WeakPolarHBondContact CB-O 3.5Å; S556-D562 VanDerWaalsContact CB-O 3.27Å; S556-D562 WeakPolarHBondContact CB-O 3.26Å; S556-D562 PolarHBondContact N-O 3.47Å
557D73.9Confident82.6Confident79 Ų7945.9 Ų45.942%0.42223%0.225SC..SBendtrans-68.6-20.4178.2-50.1-55000112.8G529 R554G529-D557 WeakPolarHBondContact CA-OD2 3.3Å; R554-D557 IonicContact CZ-OD2 2.87Å; R554-D557 IonicContact NH1-OD1 2.7Å; R554-D557 IonicContact NH1-OD2 3.03Å; R554-D557 PolarHBondContact NH1-OD2 3.42Å; R554-D557 IonicContact NH2-OD2 3.01Å
558R68.1Low82.9Confident218 Ų21842.2 Ų42.282%0.82321%0.206SC*.SBendtrans-99.3-23.1-175.7-69.1-173.2-179.4-165.4-0.2113.7S556S556-R558 PolarHBondContact O-N 3.27Å
559Y72Confident83Confident112 Ų11241.7 Ų41.744%0.43920%0.199SC..  trans-139.8111.2-171.9-60.9-81000109.6S556 T561 D562 R577S556-Y559 WeakPolarHBondContact CB-O 3.5Å; Y559-T561 PolarHBondContact O-N 3.23Å; Y559-T561 VanDerWaalsContact O-N 3.1Å; Y559-D562 PolarHBondContact O-N 2.96Å; Y559-D562 VanDerWaalsContact O-N 3.12Å; Y559-R577 VanDerWaalsContact CD1-NH2 3.26Å; Y559-R577 VanDerWaalsContact CD2-NH2 3.27Å
560V64.6Low83Confident146 Ų14646.4 Ų46.489%0.88523%0.228SC*.THydrogen-bonded Turntrans-61-25.3-168.4-176.70000113.4
561T68.2Low82.5Confident95 Ų9548.7 Ų48.758%0.58325%0.252SS*.THydrogen-bonded Turntrans-100.7-2.5-17757.60000113.9Y559 S580Y559-T561 PolarHBondContact O-N 3.23Å; Y559-T561 VanDerWaalsContact O-N 3.1Å; T561-S580 WeakPolarHBondContact CB-OG 3.42Å; T561-S580 WeakPolarHBondContact O-CB 3.42Å; T561-S580 PolarHBondContact O-OG 3.38Å; T561-S580 PolarHBondContact OG1-OG 2.77Å
562D83.5Confident82Confident7 Ų757.9 Ų57.94%0.03729%0.287CS..  trans-110.9160.2-173.1-77.22000112.5S556 Y559 R577 I578 S580S556-D562 VanDerWaalsContact CB-O 3.27Å; S556-D562 WeakPolarHBondContact CB-O 3.26Å; S556-D562 PolarHBondContact N-O 3.47Å; Y559-D562 PolarHBondContact O-N 2.96Å; Y559-D562 VanDerWaalsContact O-N 3.12Å; D562-R577 IonicContact OD2-CZ 2.94Å; D562-R577 IonicContact OD2-NE 3.06Å; D562-R577 PolarHBondContact OD2-NE 3.43Å; D562-R577 IonicContact OD2-NH2 3.83Å; D562-R577 PolarHBondContact OD2-NH2 3.11Å; D562-I578 WeakPolarHBondContact CB-O 3.47Å; D562-S580 PolarHBondContact OD1-N 2.73Å; D562-S580 PolarHBondContact OD1-OG 3.34Å; D562-S580 VanDerWaalsContact OD1-OG 3.08Å
563F88.1Confident81.9Confident16 Ų1659.1 Ų59.17%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-115.4162.6176.6-58.3-84.2000111.1H516 F522 V553 R554 Q555 I578 Y588 V599H516-F563 AromaticContact NE2-CZ 3.86Å; F522-F563 AromaticContact CE2-CD1 3.68Å; F522-F563 HydrophobicContact CE2-CD1 3.68Å; F522-F563 AromaticContact CE2-CE1 3.57Å; F522-F563 HydrophobicContact CE2-CE1 3.57Å; F522-F563 HydrophobicContact CZ-CD1 4.23Å; F522-F563 AromaticContact CZ-CE1 3.69Å; F522-F563 HydrophobicContact CZ-CE1 3.69Å; V553-F563 HydrophobicContact CG1-CB 4.03Å; R554-F563 CarbonylContact O-C 3.6Å; R554-F563 WeakPolarHBondContact O-CA 3.33Å; Q555-F563 HydrophobicContact CG-CD1 3.9Å; Q555-F563 HydrophobicContact CG-CE1 3.62Å; F563-I578 HydrophobicContact CB-CB 4.02Å; F563-I578 HydrophobicContact CB-CD1 4.13Å; F563-I578 PolarHBondContact N-O 2.96Å; F563-I578 PolarHBondContact O-N 3.25Å; F563-Y588 HydrophobicContact CD2-CD1 4.18Å; F563-Y588 AromaticContact CD2-CE1 3.92Å; F563-Y588 HydrophobicContact CD2-CE1 3.92Å; F563-Y588 HydrophobicContact CE2-CD1 4.26Å; F563-Y588 AromaticContact CE2-CE1 3.55Å; F563-Y588 HydrophobicContact CE2-CE1 3.55Å; F563-V599 HydrophobicContact CD2-CG2 3.51Å; F563-V599 HydrophobicContact CE2-CG2 3.56Å; F563-V599 HydrophobicContact CG-CG2 4.23Å; F563-V599 HydrophobicContact CZ-CG2 4.3Å
564T88.6Confident81.7Confident12 Ų1261.9 Ų61.97%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-129.3117.8176.8-54.80000108.9V553 R554 H575 C576V553-T564 WeakPolarHBondContact CA-O 3.47Å; R554-T564 PolarHBondContact N-O 3.16Å; R554-T564 PolarHBondContact O-N 2.97Å; T564-H575 HydrophobicContact CG2-CB 4.02Å; T564-C576 CarbonylContact C-O 3.59Å; T564-C576 WeakPolarHBondContact CA-O 3.44Å
565L89.5Confident81.6Confident1 Ų163.7 Ų63.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-84125.5170.4172.962.9000108.6F551 V553 F567 H575 C576 I578 L590 I603 L620F551-L565 HydrophobicContact CB-CD1 4.03Å; F551-L565 HydrophobicContact CD2-CD1 3.54Å; F551-L565 HydrophobicContact CE2-CD1 4.42Å; F551-L565 HydrophobicContact CG-CD1 4.14Å; V553-L565 HydrophobicContact CG2-CB 4.49Å; V553-L565 HydrophobicContact CG2-CD1 3.75Å; L565-F567 HydrophobicContact CD2-CD1 4.42Å; L565-F567 HydrophobicContact CG-CD1 4.15Å; L565-H575 CarbonylContact O-C 3.53Å; L565-H575 VanDerWaalsContact O-CA 3.32Å; L565-H575 WeakPolarHBondContact O-CA 2.99Å; L565-C576 HydrophobicContact CB-CB 4.5Å; L565-C576 PolarHBondContact N-O 3.09Å; L565-C576 PolarHBondContact O-N 3.16Å; L565-I578 HydrophobicContact CB-CD1 4.09Å; L565-I578 HydrophobicContact CB-CG1 4.35Å; L565-L590 HydrophobicContact CD2-CD1 4.08Å; L565-I603 HydrophobicContact CD1-CD1 3.93Å; L565-I603 HydrophobicContact CD2-CD1 4.39Å; L565-L620 HydrophobicContact CD1-CD1 4.2Å; L565-L620 HydrophobicContact CD1-CD2 4.27Å; L565-L620 HydrophobicContact CD2-CD1 4.1Å; L565-L620 HydrophobicContact CD2-CD2 4.2Å
566S90.6Very high81.7Confident0 Ų061.7 Ų61.70%031%0.31CS..EExtended strand (participates in β ladder)trans-118.1129.1177.6-480000108.5I537 F551 L552 Q574 H575I537-S566 WeakPolarHBondContact CD1-O 3.38Å; F551-S566 CarbonylContact C-O 3.56Å; F551-S566 WeakPolarHBondContact CA-O 3.32Å; F551-S566 WeakPolarHBondContact CB-O 3.46Å; L552-S566 PolarHBondContact N-O 2.98Å; L552-S566 PolarHBondContact O-N 3.05Å; S566-Q574 CarbonylContact C-O 3.59Å; S566-Q574 VanDerWaalsContact CA-O 3.24Å; S566-Q574 WeakPolarHBondContact CA-O 3.33Å; S566-H575 WeakPolarHBondContact CB-ND1 3.38Å; S566-H575 PolarHBondContact OG-ND1 3.22Å
567F89.7Confident81.9Confident0 Ų064.9 Ų64.90%032%0.319CS..EExtended strand (participates in β ladder)trans-143.9151.8-176.360.5-91.8000113.4T550 F551 L565 R569 V573 Q574 C576 L611 F616 L618 L620T550-F567 CarbonylContact O-C 3.52Å; T550-F567 WeakPolarHBondContact O-CA 3.28Å; F551-F567 HydrophobicContact CB-CB 3.76Å; L565-F567 HydrophobicContact CD2-CD1 4.42Å; L565-F567 HydrophobicContact CG-CD1 4.15Å; F567-R569 HydrophobicContact CD2-CB 4.42Å; F567-R569 HydrophobicContact CE2-CB 4.38Å; F567-V573 CarbonylContact O-C 3.58Å; F567-V573 WeakPolarHBondContact O-CA 3.47Å; F567-Q574 HydrophobicContact CD2-CB 4.27Å; F567-Q574 HydrophobicContact CE1-CB 4.22Å; F567-Q574 HydrophobicContact CE2-CB 3.75Å; F567-Q574 HydrophobicContact CE2-CG 4.29Å; F567-Q574 HydrophobicContact CZ-CB 3.72Å; F567-Q574 PolarHBondContact N-O 3.03Å; F567-Q574 PolarHBondContact O-N 3.2Å; F567-C576 HydrophobicContact CE1-CB 4.41Å; F567-L611 HydrophobicContact CE1-CD2 4.3Å; F567-L611 HydrophobicContact CZ-CD2 4.37Å; F567-F616 HydrophobicContact CE2-CE2 4.09Å; F567-F616 HydrophobicContact CE2-CZ 4.27Å; F567-F616 HydrophobicContact CZ-CE2 4.03Å; F567-F616 AromaticContact CZ-CZ 3.91Å; F567-F616 HydrophobicContact CZ-CZ 3.91Å; F567-L618 HydrophobicContact CD2-CD2 3.19Å; F567-L618 HydrophobicContact CE2-CD2 3.32Å; F567-L618 HydrophobicContact CG-CD2 4.14Å; F567-L618 HydrophobicContact CZ-CD2 4.34Å; F567-L620 HydrophobicContact CB-CD2 4.34Å
568W87.8Confident82.5Confident31 Ų3161.1 Ų61.112%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-81133179.1-171.2-103.7000111.6I537 H538 C541 G549 T550 G571 V573I537-W568 HydrophobicContact CG2-CB 3.84Å; I537-W568 HydrophobicContact CG2-CD2 4.45Å; I537-W568 HydrophobicContact CG2-CE3 3.87Å; H538-W568 HydrophobicContact CB-CZ3 4.25Å; H538-W568 AromaticContact CD2-CH2 3.87Å; H538-W568 AromaticContact CD2-CZ3 3.98Å; C541-W568 HydrophobicContact CB-CD2 4.19Å; C541-W568 HydrophobicContact CB-CE3 4.42Å; C541-W568 HydrophobicContact CB-CZ2 4.28Å; G549-W568 PolarHBondContact N-O 2.88Å; T550-W568 PolarHBondContact O-N 2.92Å; W568-G571 VanDerWaalsContact CZ2-CA 3.49Å; W568-V573 HydrophobicContact CE3-CG2 3.71Å; W568-V573 HydrophobicContact CZ3-CG2 4Å
569R85.6Confident83.3Confident51 Ų5156.5 Ų56.519%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-153.5127.1175-177.8177.5167.6-135-10.8111.6D548 F567 G571 R572 D615 F616D548-R569 WeakPolarHBondContact OD1-CA 3.4Å; F567-R569 HydrophobicContact CD2-CB 4.42Å; F567-R569 HydrophobicContact CE2-CB 4.38Å; R569-G571 PolarHBondContact O-N 3.29Å; R569-G571 VanDerWaalsContact O-N 3.16Å; R569-R572 PolarHBondContact N-O 3.42Å; R569-R572 PolarHBondContact O-N 3.43Å; R569-D615 PolarHBondContact NH2-O 3.25Å; R569-F616 VanDerWaalsContact NH1-CE1 3.31Å; R569-F616 VanDerWaalsContact NH2-CB 3.27Å
570T80.1Confident83.8Confident100 Ų10052.6 Ų52.661%0.61327%0.27SS*.THydrogen-bonded Turntrans5139.6173.157.30000113.5D548D548-T570 PolarHBondContact OD1-N 2.83Å; D548-T570 PolarHBondContact OD2-N 3.2Å
571G76.4Confident84.3Confident48 Ų4847.1 Ų47.150%0.49524%0.239SC..THydrogen-bonded Turntrans79.612.1179.500000115.5W568 R569W568-G571 VanDerWaalsContact CZ2-CA 3.49Å; R569-G571 PolarHBondContact O-N 3.29Å; R569-G571 VanDerWaalsContact O-N 3.16Å
572R82.6Confident84.3Confident193 Ų19347.5 Ų47.573%0.72824%0.241SC*.EExtended strand (participates in β ladder)trans-138.5152.7177.5-63-174.9-178.4-173.60.4111.3R569R569-R572 PolarHBondContact N-O 3.42Å; R569-R572 PolarHBondContact O-N 3.43Å
573V86.9Confident82.9Confident26 Ų2656.1 Ų56.116%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-87.7131.5173.7179.30000109.9E534 I537 F567 W568E534-V573 HydrophobicContact CB-CB 4.48Å; E534-V573 HydrophobicContact CG-CB 4.05Å; E534-V573 HydrophobicContact CG-CG1 4.04Å; I537-V573 HydrophobicContact CB-CG2 3.91Å; I537-V573 HydrophobicContact CD1-CG1 3.74Å; I537-V573 HydrophobicContact CD1-CG2 4.39Å; I537-V573 HydrophobicContact CG2-CG2 3.88Å; F567-V573 CarbonylContact O-C 3.58Å; F567-V573 WeakPolarHBondContact O-CA 3.47Å; W568-V573 HydrophobicContact CE3-CG2 3.71Å; W568-V573 HydrophobicContact CZ3-CG2 4Å
574Q86.1Confident81.2Confident58 Ų5858.8 Ų58.827%0.27131%0.313SS..EExtended strand (participates in β ladder)trans-110.5154172.5-60.5-158.310.700110.8S566 F567S566-Q574 CarbonylContact C-O 3.59Å; S566-Q574 VanDerWaalsContact CA-O 3.24Å; S566-Q574 WeakPolarHBondContact CA-O 3.33Å; F567-Q574 HydrophobicContact CD2-CB 4.27Å; F567-Q574 HydrophobicContact CE1-CB 4.22Å; F567-Q574 HydrophobicContact CE2-CB 3.75Å; F567-Q574 HydrophobicContact CE2-CG 4.29Å; F567-Q574 HydrophobicContact CZ-CB 3.72Å; F567-Q574 PolarHBondContact N-O 3.03Å; F567-Q574 PolarHBondContact O-N 3.2Å
575H86.6Confident79.8Confident48 Ų4860.5 Ų60.522%0.22233%0.333CS..EExtended strand (participates in β ladder)trans-127.6128.6-179.9-54.3-81.1000111.4E534 T564 L565 S566E534-H575 WeakPolarHBondContact CG-NE2 3.45Å; E534-H575 IonicContact OE1-CD2 2.76Å; E534-H575 IonicContact OE1-NE2 3.06Å; E534-H575 PolarHBondContact OE1-NE2 3.02Å; T564-H575 HydrophobicContact CG2-CB 4.02Å; L565-H575 CarbonylContact O-C 3.53Å; L565-H575 VanDerWaalsContact O-CA 3.32Å; L565-H575 WeakPolarHBondContact O-CA 2.99Å; S566-H575 WeakPolarHBondContact CB-ND1 3.38Å; S566-H575 PolarHBondContact OG-ND1 3.22Å
576C86.3Confident78.6Confident34 Ų3466.7 Ų66.723%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-117.9133.1173.7-700000110.4T564 L565 F567 L590T564-C576 CarbonylContact C-O 3.59Å; T564-C576 WeakPolarHBondContact CA-O 3.44Å; L565-C576 HydrophobicContact CB-CB 4.5Å; L565-C576 PolarHBondContact N-O 3.09Å; L565-C576 PolarHBondContact O-N 3.16Å; F567-C576 HydrophobicContact CE1-CB 4.41Å; C576-L590 HydrophobicContact CB-CD2 3.95Å
577R84.3Confident78Confident87 Ų8768.3 Ų68.333%0.32837%0.371SS..EExtended strand (participates in β ladder)trans-83.4123.3177.6179.6179.8174-177.11.4110.1Y559 D562 R579 L590Y559-R577 VanDerWaalsContact CD1-NH2 3.26Å; Y559-R577 VanDerWaalsContact CD2-NH2 3.27Å; D562-R577 IonicContact OD2-CZ 2.94Å; D562-R577 IonicContact OD2-NE 3.06Å; D562-R577 PolarHBondContact OD2-NE 3.43Å; D562-R577 IonicContact OD2-NH2 3.83Å; D562-R577 PolarHBondContact OD2-NH2 3.11Å; R577-R579 HydrophobicContact CG-CG 4.31Å; R577-L590 WeakPolarHBondContact O-CD2 3.46Å
578I87.4Confident77.8Confident0 Ų070.1 Ų70.10%038%0.378CS..EExtended strand (participates in β ladder)trans-89.5114.3168.7-58.8167.4000107.2V553 D562 F563 L565 Y588 L590 V599 L602V553-I578 HydrophobicContact CG1-CD1 4.08Å; D562-I578 WeakPolarHBondContact CB-O 3.47Å; F563-I578 HydrophobicContact CB-CB 4.02Å; F563-I578 HydrophobicContact CB-CD1 4.13Å; F563-I578 PolarHBondContact N-O 2.96Å; F563-I578 PolarHBondContact O-N 3.25Å; L565-I578 HydrophobicContact CB-CD1 4.09Å; L565-I578 HydrophobicContact CB-CG1 4.35Å; I578-Y588 HydrophobicContact CG2-CD1 4.3Å; I578-L590 HydrophobicContact CB-CD2 4.3Å; I578-L590 HydrophobicContact CG1-CD2 3.52Å; I578-L590 HydrophobicContact CG1-CG 4.19Å; I578-V599 HydrophobicContact CD1-CG1 4.31Å; I578-L602 HydrophobicContact CD1-CD2 4.2Å; I578-L602 HydrophobicContact CG1-CD2 4.41Å; I578-L602 HydrophobicContact CG2-CD1 3.83Å
579R85.1Confident77.6Confident122 Ų12269.8 Ų69.846%0.4638%0.378SS..EExtended strand (participates in β ladder)trans-88.5139.6-179.7-60.9-179.2-170.9-178.72.3109.7R577 Y588 F589R577-R579 HydrophobicContact CG-CG 4.31Å; R579-Y588 WeakPolarHBondContact O-CA 3.36Å; R579-F589 HydrophobicContact CB-CD1 4.42Å; R579-F589 HydrophobicContact CB-CD2 4.31Å; R579-F589 HydrophobicContact CB-CE1 3.99Å; R579-F589 HydrophobicContact CB-CE2 3.9Å; R579-F589 HydrophobicContact CB-CZ 3.72Å; R579-F589 HydrophobicContact CG-CE2 4.39Å; R579-F589 PolarHBondContact N-O 2.95Å; R579-F589 PolarHBondContact O-N 2.8Å
580S82Confident77.4Confident30 Ų3068.6 Ų68.621%0.2138%0.375CS..EExtended strand (participates in β ladder)trans-98.4138.7166.660.60000110.9T561 D562 T587T561-S580 WeakPolarHBondContact CB-OG 3.42Å; T561-S580 WeakPolarHBondContact O-CB 3.42Å; T561-S580 PolarHBondContact O-OG 3.38Å; T561-S580 PolarHBondContact OG1-OG 2.77Å; D562-S580 PolarHBondContact OD1-N 2.73Å; D562-S580 PolarHBondContact OD1-OG 3.34Å; D562-S580 VanDerWaalsContact OD1-OG 3.08Å; S580-T587 CarbonylContact C-O 3.57Å; S580-T587 WeakPolarHBondContact CA-O 3.45Å
581S75.9Confident77.2Confident31 Ų3166.5 Ų66.522%0.21736%0.362CS..EExtended strand (participates in β ladder)trans-122140.4169.6178.60000110E583 T587S581-E583 PolarHBondContact OG-N 2.8Å; S581-T587 PolarHBondContact N-O 2.88Å; S581-T587 PolarHBondContact O-N 3.44Å
582T66.5Low76.8Confident102 Ų10268.3 Ų68.363%0.62637%0.365SS*.  trans-103.9-3.9178.545.90000113.3G584T582-G584 PolarHBondContact O-N 3.25Å
583E54.6Low76.3Confident189 Ų18966.3 Ų66.388%0.88337%0.369SS*.THydrogen-bonded Turntrans-76.810.9-170.2-71.3-172.8159.100115.4S581S581-E583 PolarHBondContact OG-N 2.8Å
584G52.8Low76Confident72 Ų7268.2 Ų68.274%0.74238%0.378SS*.THydrogen-bonded Turntrans-166.227177.500000115.1T582T582-G584 PolarHBondContact O-N 3.25Å
585G58.4Low75.8Confident47 Ų4770 Ų7049%0.48539%0.386SS..SBendtrans98.3148.8-16000000110.4T587G585-T587 PolarHBondContact O-N 3.12Å
586H65.7Low75.6Confident131 Ų13168.6 Ų68.661%0.60638%0.379SS*.SBendtrans-59.8103.9-178.5-72.2-73.8000110.3
587T77.8Confident75.3Confident34 Ų3471.8 Ų71.821%0.20940%0.4CS..EExtended strand (participates in β ladder)trans-119.7146.9-179.553.30000111.3S580 S581 G585 F596S580-T587 CarbonylContact C-O 3.57Å; S580-T587 WeakPolarHBondContact CA-O 3.45Å; S581-T587 PolarHBondContact N-O 2.88Å; S581-T587 PolarHBondContact O-N 3.44Å; G585-T587 PolarHBondContact O-N 3.12Å; T587-F596 CarbonylContact C-O 3.2Å; T587-F596 VanDerWaalsContact CA-O 3.25Å; T587-F596 WeakPolarHBondContact CA-O 3.45Å
588Y84.3Confident75.3Confident39 Ų3969 Ų6915%0.15339%0.394CS..EExtended strand (participates in β ladder)trans-119.9138.6-176.3-60.4-81.6000110.5F563 I578 R579 F596 V599F563-Y588 HydrophobicContact CD2-CD1 4.18Å; F563-Y588 AromaticContact CD2-CE1 3.92Å; F563-Y588 HydrophobicContact CD2-CE1 3.92Å; F563-Y588 HydrophobicContact CE2-CD1 4.26Å; F563-Y588 AromaticContact CE2-CE1 3.55Å; F563-Y588 HydrophobicContact CE2-CE1 3.55Å; I578-Y588 HydrophobicContact CG2-CD1 4.3Å; R579-Y588 WeakPolarHBondContact O-CA 3.36Å; Y588-F596 PolarHBondContact N-O 3.5Å; Y588-F596 PolarHBondContact O-N 3.02Å; Y588-V599 HydrophobicContact CD1-CG2 3.63Å; Y588-V599 HydrophobicContact CD2-CG2 4.08Å; Y588-V599 HydrophobicContact CE1-CG2 3.76Å; Y588-V599 HydrophobicContact CE2-CG2 4.17Å; Y588-V599 HydrophobicContact CG-CG2 3.78Å
589F84.5Confident75.1Confident23 Ų2369 Ų6910%0.10139%0.394CS..EExtended strand (participates in β ladder)trans-152.9148.9179.860.2-82.9000113.2R579 T591 L594 H595R579-F589 HydrophobicContact CB-CD1 4.42Å; R579-F589 HydrophobicContact CB-CD2 4.31Å; R579-F589 HydrophobicContact CB-CE1 3.99Å; R579-F589 HydrophobicContact CB-CE2 3.9Å; R579-F589 HydrophobicContact CB-CZ 3.72Å; R579-F589 HydrophobicContact CG-CE2 4.39Å; R579-F589 PolarHBondContact N-O 2.95Å; R579-F589 PolarHBondContact O-N 2.8Å; F589-T591 WeakPolarHBondContact CD2-O 3.47Å; F589-L594 WeakPolarHBondContact CB-O 3.39Å; F589-H595 AromaticContact CD1-CD2 3.42Å; F589-H595 VanDerWaalsContact CD1-CD2 3.42Å; F589-H595 WeakPolarHBondContact CD1-CD2 3.48Å; F589-H595 AromaticContact CD1-NE2 3.7Å; F589-H595 AromaticContact CE1-CD2 3.96Å; F589-H595 AromaticContact CE1-NE2 3.89Å; F589-H595 AromaticContact CG-CD2 3.9Å
590L81.5Confident75.1Confident27 Ų2766.6 Ų66.614%0.14139%0.385CS..SBendtrans-94.1-32.6168.6-75.2177.7000111.8L565 C576 R577 I578 L602 Y606 L611L565-L590 HydrophobicContact CD2-CD1 4.08Å; C576-L590 HydrophobicContact CB-CD2 3.95Å; R577-L590 WeakPolarHBondContact O-CD2 3.46Å; I578-L590 HydrophobicContact CB-CD2 4.3Å; I578-L590 HydrophobicContact CG1-CD2 3.52Å; I578-L590 HydrophobicContact CG1-CG 4.19Å; L590-L602 HydrophobicContact CD1-CD2 4.15Å; L590-L602 HydrophobicContact CG-CD1 4.43Å; L590-L602 HydrophobicContact CG-CD2 4.23Å; L590-Y606 HydrophobicContact CB-CE2 4.34Å; L590-Y606 HydrophobicContact CD1-CD2 3.87Å; L590-Y606 HydrophobicContact CD1-CE2 3.58Å; L590-Y606 HydrophobicContact CG-CE2 4.22Å; L590-L611 HydrophobicContact CD1-CD1 3.75Å
591T75.6Confident75.2Confident55 Ų5566.7 Ų66.734%0.33739%0.385SS..SBendtrans-125.7146.617764.50000109.9F589 N593 L594F589-T591 WeakPolarHBondContact CD2-O 3.47Å; T591-N593 PolarHBondContact O-N 2.78Å; T591-L594 PolarHBondContact O-N 3.39Å
592P68.9Low75.7Confident87 Ų8765.2 Ų65.257%0.56538%0.375SS*.THydrogen-bonded Turntrans-61.3-12.4-175.8-22.332.9000115.3H595P592-H595 PolarHBondContact O-CE1 2.82Å
593N72.3Confident76.7Confident151 Ų15160.3 Ų60.381%0.80735%0.345SS*.THydrogen-bonded Turntrans-95.1-9.5-174.6-62.4-20.4000113.3T591T591-N593 PolarHBondContact O-N 2.78Å
594L79.2Confident78.1Confident65 Ų6554 Ų5434%0.3432%0.316SS..  trans-137.7106-171.4-162.371.6000110.9F589 T591 F596F589-L594 WeakPolarHBondContact CB-O 3.39Å; T591-L594 PolarHBondContact O-N 3.39Å; L594-F596 HydrophobicContact CB-CE2 4.38Å; L594-F596 HydrophobicContact CD2-CE2 3.72Å; L594-F596 HydrophobicContact CD2-CZ 3.42Å; L594-F596 VanDerWaalsContact CD2-CZ 3.42Å; L594-F596 HydrophobicContact CG-CE2 3.71Å; L594-F596 HydrophobicContact CG-CZ 3.61Å
595H82.6Confident79.6Confident96 Ų9653.2 Ų53.244%0.44429%0.293SS..  trans-109.1140.4-175.8-6381.8000111F589 P592F589-H595 AromaticContact CD1-CD2 3.42Å; F589-H595 VanDerWaalsContact CD1-CD2 3.42Å; F589-H595 WeakPolarHBondContact CD1-CD2 3.48Å; F589-H595 AromaticContact CD1-NE2 3.7Å; F589-H595 AromaticContact CE1-CD2 3.96Å; F589-H595 AromaticContact CE1-NE2 3.89Å; F589-H595 AromaticContact CG-CD2 3.9Å; P592-H595 PolarHBondContact O-CE1 2.82Å
596F82.2Confident80.9Confident19 Ų1951.6 Ų51.68%0.08327%0.272CS..BIsolated β-bridgetrans-123.6145-178.4-62.2-84.3000110.9T587 Y588 L594 S598 L602 H605 Y606T587-F596 CarbonylContact C-O 3.2Å; T587-F596 VanDerWaalsContact CA-O 3.25Å; T587-F596 WeakPolarHBondContact CA-O 3.45Å; Y588-F596 PolarHBondContact N-O 3.5Å; Y588-F596 PolarHBondContact O-N 3.02Å; L594-F596 HydrophobicContact CB-CE2 4.38Å; L594-F596 HydrophobicContact CD2-CE2 3.72Å; L594-F596 HydrophobicContact CD2-CZ 3.42Å; L594-F596 VanDerWaalsContact CD2-CZ 3.42Å; L594-F596 HydrophobicContact CG-CE2 3.71Å; L594-F596 HydrophobicContact CG-CZ 3.61Å; F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.83Å; F596-L602 HydrophobicContact CB-CB 3.88Å; F596-L602 HydrophobicContact CD1-CB 4.47Å; F596-L602 HydrophobicContact CD2-CB 3.68Å; F596-L602 HydrophobicContact CD2-CD1 3.78Å; F596-L602 HydrophobicContact CD2-CG 3.65Å; F596-L602 HydrophobicContact CE2-CB 4.31Å; F596-L602 HydrophobicContact CE2-CD1 4.36Å; F596-L602 HydrophobicContact CE2-CG 3.98Å; F596-L602 HydrophobicContact CG-CB 3.75Å; F596-L602 HydrophobicContact CG-CG 4.26Å; F596-H605 HydrophobicContact CD1-CB 4.41Å; F596-H605 HydrophobicContact CE1-CB 3.45Å; F596-H605 VanDerWaalsContact CE1-CB 3.45Å; F596-H605 AromaticContact CE1-CG 3.54Å; F596-H605 AromaticContact CE1-ND1 4Å; F596-H605 HydrophobicContact CZ-CB 3.7Å; F596-H605 AromaticContact CZ-CD2 3.51Å; F596-H605 AromaticContact CZ-CG 3.48Å; F596-H605 VanDerWaalsContact CZ-CG 3.48Å; F596-Y606 HydrophobicContact CE2-CE2 4.13Å; F596-Y606 HydrophobicContact CZ-CE2 4.49Å
597P79.8Confident81.8Confident101 Ų10149.7 Ų49.766%0.65626%0.26SS*.SBendtrans-72-17.1-179.728.9-35.6000113.6S601P597-S601 WeakPolarHBondContact CD-OG 3.37Å
598S84.5Confident81.9Confident29 Ų2954.7 Ų54.720%0.20328%0.28CS..SBendtrans-150.7157.1178.468.20000111.5F596 Y600 S601 L602F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.83Å; S598-Y600 PolarHBondContact O-N 3.32Å; S598-S601 PolarHBondContact N-OG 3.29Å; S598-S601 VanDerWaalsContact N-OG 3.14Å; S598-S601 PolarHBondContact O-N 3.41Å; S598-S601 PolarHBondContact O-OG 2.92Å; S598-S601 PolarHBondContact OG-N 3.29Å; S598-S601 PolarHBondContact OG-OG 3.49Å; S598-L602 PolarHBondContact O-N 2.84Å; S598-L602 VanDerWaalsContact O-N 3.13Å
599V83Confident81.6Confident0 Ų056 Ų560%029%0.29CS..Hα-helixtrans-59.2-35.5171.6-178.70000111H516 W521 V553 F563 I578 Y588 L602 I603H516-V599 HydrophobicContact CB-CB 4.27Å; W521-V599 HydrophobicContact CH2-CG1 4.16Å; W521-V599 HydrophobicContact CZ3-CG1 4.12Å; V553-V599 HydrophobicContact CG1-CG1 4.26Å; F563-V599 HydrophobicContact CD2-CG2 3.51Å; F563-V599 HydrophobicContact CE2-CG2 3.56Å; F563-V599 HydrophobicContact CG-CG2 4.23Å; F563-V599 HydrophobicContact CZ-CG2 4.3Å; I578-V599 HydrophobicContact CD1-CG1 4.31Å; Y588-V599 HydrophobicContact CD1-CG2 3.63Å; Y588-V599 HydrophobicContact CD2-CG2 4.08Å; Y588-V599 HydrophobicContact CE1-CG2 3.76Å; Y588-V599 HydrophobicContact CE2-CG2 4.17Å; Y588-V599 HydrophobicContact CG-CG2 3.78Å; V599-L602 WeakPolarHBondContact O-CB 3.43Å; V599-L602 PolarHBondContact O-N 3.27Å; V599-I603 HydrophobicContact CG1-CG1 4.42Å; V599-I603 WeakPolarHBondContact O-CG1 3.32Å; V599-I603 PolarHBondContact O-N 2.83Å
600Y84.8Confident81.3Confident71 Ų7156 Ų5628%0.27829%0.293SS..Hα-helixtrans-57.9-54175.4-179.7-92.7000112.1L515 E519 W521 S598 L602 I603 E604L515-Y600 HydrophobicContact CB-CG 4.27Å; E519-Y600 HydrophobicContact CG-CD2 3.78Å; E519-Y600 HydrophobicContact CG-CE2 3.96Å; E519-Y600 WeakPolarHBondContact OE1-CE2 3.38Å; W521-Y600 HydrophobicContact CZ2-CD2 4.1Å; S598-Y600 PolarHBondContact O-N 3.32Å; Y600-L602 VanDerWaalsContact C-N 3.27Å; Y600-L602 PolarHBondContact O-N 2.89Å; Y600-I603 PolarHBondContact O-N 2.74Å; Y600-I603 VanDerWaalsContact O-N 3.14Å; Y600-E604 HydrophobicContact CD1-CG 4.33Å; Y600-E604 HydrophobicContact CE1-CG 3.88Å; Y600-E604 HydrophobicContact CE2-CG 4.44Å; Y600-E604 PolarHBondContact O-N 2.85Å
601S83.9Confident81.2Confident31 Ų3155.6 Ų55.622%0.21729%0.29CS..Hα-helixtrans-63.8-31.5179.754.70000113.2P597 S598 H605P597-S601 WeakPolarHBondContact CD-OG 3.37Å; S598-S601 PolarHBondContact N-OG 3.29Å; S598-S601 VanDerWaalsContact N-OG 3.14Å; S598-S601 PolarHBondContact O-N 3.41Å; S598-S601 PolarHBondContact O-OG 2.92Å; S598-S601 PolarHBondContact OG-N 3.29Å; S598-S601 PolarHBondContact OG-OG 3.49Å; S601-H605 WeakPolarHBondContact O-CB 3.39Å; S601-H605 PolarHBondContact O-N 2.85Å; S601-H605 VanDerWaalsContact O-N 3.11Å
602L87Confident81Confident0 Ų061.8 Ų61.80%031%0.308CS..Hα-helixtrans-63.7-47.6172.2-177.2155.4000111.6I578 L590 F596 S598 V599 Y600 H605 Y606I578-L602 HydrophobicContact CD1-CD2 4.2Å; I578-L602 HydrophobicContact CG1-CD2 4.41Å; I578-L602 HydrophobicContact CG2-CD1 3.83Å; L590-L602 HydrophobicContact CD1-CD2 4.15Å; L590-L602 HydrophobicContact CG-CD1 4.43Å; L590-L602 HydrophobicContact CG-CD2 4.23Å; F596-L602 HydrophobicContact CB-CB 3.88Å; F596-L602 HydrophobicContact CD1-CB 4.47Å; F596-L602 HydrophobicContact CD2-CB 3.68Å; F596-L602 HydrophobicContact CD2-CD1 3.78Å; F596-L602 HydrophobicContact CD2-CG 3.65Å; F596-L602 HydrophobicContact CE2-CB 4.31Å; F596-L602 HydrophobicContact CE2-CD1 4.36Å; F596-L602 HydrophobicContact CE2-CG 3.98Å; F596-L602 HydrophobicContact CG-CB 3.75Å; F596-L602 HydrophobicContact CG-CG 4.26Å; S598-L602 PolarHBondContact O-N 2.84Å; S598-L602 VanDerWaalsContact O-N 3.13Å; V599-L602 WeakPolarHBondContact O-CB 3.43Å; V599-L602 PolarHBondContact O-N 3.27Å; Y600-L602 VanDerWaalsContact C-N 3.27Å; Y600-L602 PolarHBondContact O-N 2.89Å; L602-H605 PolarHBondContact O-N 3.19Å; L602-Y606 HydrophobicContact CD2-CD2 3.83Å; L602-Y606 HydrophobicContact CD2-CE2 4.07Å; L602-Y606 HydrophobicContact CG-CD2 4.18Å; L602-Y606 HydrophobicContact CG-CE2 4.09Å; L602-Y606 WeakPolarHBondContact O-CD2 3.45Å; L602-Y606 PolarHBondContact O-N 3.05Å
603I87.8Confident80.8Confident0 Ų061.1 Ų61.10%030%0.304CS..Hα-helixtrans-66.9-46.3-178.6-67.8-62000110.9W521 F551 V553 L565 V599 Y600 H605 Y606 R607 L620W521-I603 HydrophobicContact CD2-CG2 4.29Å; W521-I603 HydrophobicContact CE3-CG1 4.31Å; W521-I603 HydrophobicContact CH2-CB 4.07Å; W521-I603 HydrophobicContact CH2-CG1 3.74Å; W521-I603 HydrophobicContact CH2-CG2 4.43Å; W521-I603 HydrophobicContact CZ2-CB 4.02Å; W521-I603 HydrophobicContact CZ2-CG1 4.18Å; W521-I603 HydrophobicContact CZ2-CG2 4.02Å; W521-I603 HydrophobicContact CZ3-CG1 3.82Å; F551-I603 HydrophobicContact CE2-CD1 4.3Å; F551-I603 HydrophobicContact CE2-CG2 3.6Å; F551-I603 HydrophobicContact CZ-CG2 3.65Å; V553-I603 HydrophobicContact CG2-CD1 3.65Å; V553-I603 HydrophobicContact CG2-CG1 4.1Å; L565-I603 HydrophobicContact CD1-CD1 3.93Å; L565-I603 HydrophobicContact CD2-CD1 4.39Å; V599-I603 HydrophobicContact CG1-CG1 4.42Å; V599-I603 WeakPolarHBondContact O-CG1 3.32Å; V599-I603 PolarHBondContact O-N 2.83Å; Y600-I603 PolarHBondContact O-N 2.74Å; Y600-I603 VanDerWaalsContact O-N 3.14Å; I603-H605 VanDerWaalsContact C-N 3.28Å; I603-H605 PolarHBondContact O-N 2.86Å; I603-Y606 CarbonylContact O-C 3.48Å; I603-Y606 PolarHBondContact O-N 3.46Å; I603-R607 HydrophobicContact CG2-CG 4.41Å; I603-R607 WeakPolarHBondContact O-CG 3.26Å; I603-R607 PolarHBondContact O-N 3.27Å; I603-L620 HydrophobicContact CD1-CD1 3.89Å; I603-L620 HydrophobicContact CG2-CD1 4.28Å
604E84.1Confident80Confident55 Ų5563.3 Ų63.326%0.25731%0.309SS..Hα-helixtrans-57.7-41.6176.6-74.6-65.4109.200111.7Y600 Y606 R607 E608Y600-E604 HydrophobicContact CD1-CG 4.33Å; Y600-E604 HydrophobicContact CE1-CG 3.88Å; Y600-E604 HydrophobicContact CE2-CG 4.44Å; Y600-E604 PolarHBondContact O-N 2.85Å; E604-Y606 VanDerWaalsContact C-N 3.32Å; E604-Y606 PolarHBondContact O-N 2.83Å; E604-R607 PolarHBondContact O-N 3.45Å; E604-R607 WeakPolarHBondContact OE1-CD 3.21Å; E604-R607 IonicContact OE1-CZ 2.84Å; E604-R607 IonicContact OE1-NH1 3.89Å; E604-R607 PolarHBondContact OE1-NH1 3.24Å; E604-E608 PolarHBondContact O-N 3.03Å
605H84.2Confident78.9Confident57 Ų5766.7 Ų66.726%0.26433%0.328SS..Hα-helixtrans-57.6-42.6174.2178.984.4000112.8F596 S601 L602 I603 E608 N609F596-H605 HydrophobicContact CD1-CB 4.41Å; F596-H605 HydrophobicContact CE1-CB 3.45Å; F596-H605 VanDerWaalsContact CE1-CB 3.45Å; F596-H605 AromaticContact CE1-CG 3.54Å; F596-H605 AromaticContact CE1-ND1 4Å; F596-H605 HydrophobicContact CZ-CB 3.7Å; F596-H605 AromaticContact CZ-CD2 3.51Å; F596-H605 AromaticContact CZ-CG 3.48Å; F596-H605 VanDerWaalsContact CZ-CG 3.48Å; S601-H605 WeakPolarHBondContact O-CB 3.39Å; S601-H605 PolarHBondContact O-N 2.85Å; S601-H605 VanDerWaalsContact O-N 3.11Å; L602-H605 PolarHBondContact O-N 3.19Å; I603-H605 VanDerWaalsContact C-N 3.28Å; I603-H605 PolarHBondContact O-N 2.86Å; H605-E608 PolarHBondContact O-N 3.27Å; H605-N609 PolarHBondContact CE1-ND2 3.17Å; H605-N609 PolarHBondContact ND1-ND2 3.28Å; H605-N609 WeakPolarHBondContact O-CA 3.43Å; H605-N609 VanDerWaalsContact O-CB 3.26Å; H605-N609 WeakPolarHBondContact O-CB 3.49Å; H605-N609 PolarHBondContact O-N 2.85Å; H605-N609 PolarHBondContact O-ND2 2.7Å
606Y85.4Confident78.5Confident12 Ų1263.6 Ų63.65%0.04731%0.313CS..Hα-helixtrans-83.5-6.6-179-73-63.7000114.8L590 F596 L602 I603 E604 N609 L611 L620L590-Y606 HydrophobicContact CB-CE2 4.34Å; L590-Y606 HydrophobicContact CD1-CD2 3.87Å; L590-Y606 HydrophobicContact CD1-CE2 3.58Å; L590-Y606 HydrophobicContact CG-CE2 4.22Å; F596-Y606 HydrophobicContact CE2-CE2 4.13Å; F596-Y606 HydrophobicContact CZ-CE2 4.49Å; L602-Y606 HydrophobicContact CD2-CD2 3.83Å; L602-Y606 HydrophobicContact CD2-CE2 4.07Å; L602-Y606 HydrophobicContact CG-CD2 4.18Å; L602-Y606 HydrophobicContact CG-CE2 4.09Å; L602-Y606 WeakPolarHBondContact O-CD2 3.45Å; L602-Y606 PolarHBondContact O-N 3.05Å; I603-Y606 CarbonylContact O-C 3.48Å; I603-Y606 PolarHBondContact O-N 3.46Å; E604-Y606 VanDerWaalsContact C-N 3.32Å; E604-Y606 PolarHBondContact O-N 2.83Å; Y606-N609 CarbonylContact C-O 3.55Å; Y606-N609 VanDerWaalsContact CA-O 3.23Å; Y606-N609 WeakPolarHBondContact CA-O 3.31Å; Y606-N609 VanDerWaalsContact O-O 3.07Å; Y606-L611 HydrophobicContact CD1-CB 3.98Å; Y606-L611 HydrophobicContact CD1-CD1 3.85Å; Y606-L611 HydrophobicContact CE1-CB 4.29Å; Y606-L611 HydrophobicContact CE1-CD1 3.48Å; Y606-L611 VanDerWaalsContact CE1-CD1 3.48Å; Y606-L611 HydrophobicContact CE2-CD1 4.41Å; Y606-L611 HydrophobicContact CG-CD1 4.45Å; Y606-L620 PolarHBondContact O-N 2.83Å
607R83.5Confident78.3Confident92 Ų9268 Ų6835%0.34733%0.334SS..Hα-helixtrans-78.4-40.9164.9-67.8177.691.3-176.36.8110.7I603 E604 L620I603-R607 HydrophobicContact CG2-CG 4.41Å; I603-R607 WeakPolarHBondContact O-CG 3.26Å; I603-R607 PolarHBondContact O-N 3.27Å; E604-R607 PolarHBondContact O-N 3.45Å; E604-R607 WeakPolarHBondContact OE1-CD 3.21Å; E604-R607 IonicContact OE1-CZ 2.84Å; E604-R607 IonicContact OE1-NH1 3.89Å; E604-R607 PolarHBondContact OE1-NH1 3.24Å; R607-L620 HydrophobicContact CG-CB 3.81Å
608E80Confident78.5Confident138 Ų13864 Ų6465%0.64531%0.307SS*.Hα-helixtrans-81.2-38.6178.3-63.8-170.1157.300112.9E604 H605 R619E604-E608 PolarHBondContact O-N 3.03Å; H605-E608 PolarHBondContact O-N 3.27Å; E608-R619 PolarHBondContact O-NH1 3.44Å
609N79.6Confident78.5Confident66 Ų6669.3 Ų69.335%0.35332%0.323SS..SBendtrans-114138.1-175.3-56.9-81000110.8H605 Y606H605-N609 PolarHBondContact CE1-ND2 3.17Å; H605-N609 PolarHBondContact ND1-ND2 3.28Å; H605-N609 WeakPolarHBondContact O-CA 3.43Å; H605-N609 VanDerWaalsContact O-CB 3.26Å; H605-N609 WeakPolarHBondContact O-CB 3.49Å; H605-N609 PolarHBondContact O-N 2.85Å; H605-N609 PolarHBondContact O-ND2 2.7Å; Y606-N609 CarbonylContact C-O 3.55Å; Y606-N609 VanDerWaalsContact CA-O 3.23Å; Y606-N609 WeakPolarHBondContact CA-O 3.31Å; Y606-N609 VanDerWaalsContact O-O 3.07Å
610P77.6Confident78.7Confident25 Ų2569.7 Ų69.716%0.16233%0.325CS..  trans-72.3136.8-177.128.1-32.6000112.9R612 E617 L618 R619P610-R612 PolarHBondContact O-N 3.43Å; P610-E617 HydrophobicContact CB-CG 3.39Å; P610-E617 HydrophobicContact CG-CG 3.83Å; P610-E617 WeakPolarHBondContact CG-OE1 3.47Å; P610-L618 CarbonylContact C-O 3.5Å; P610-R619 HydrophobicContact CB-CG 3.79Å
611L79.5Confident78.7Confident17 Ų1768 Ų689%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-69.3114.3166.5-173.772.8000108.9F567 L590 Y606 E617 L618F567-L611 HydrophobicContact CE1-CD2 4.3Å; F567-L611 HydrophobicContact CZ-CD2 4.37Å; L590-L611 HydrophobicContact CD1-CD1 3.75Å; Y606-L611 HydrophobicContact CD1-CB 3.98Å; Y606-L611 HydrophobicContact CD1-CD1 3.85Å; Y606-L611 HydrophobicContact CE1-CB 4.29Å; Y606-L611 HydrophobicContact CE1-CD1 3.48Å; Y606-L611 VanDerWaalsContact CE1-CD1 3.48Å; Y606-L611 HydrophobicContact CE2-CD1 4.41Å; Y606-L611 HydrophobicContact CG-CD1 4.45Å; L611-E617 WeakPolarHBondContact O-CA 3.3Å; L611-L618 WeakPolarHBondContact CB-O 3.39Å; L611-L618 PolarHBondContact N-O 3.09Å; L611-L618 PolarHBondContact O-N 3.12Å
612R71.8Confident78.6Confident186 Ų18670.4 Ų70.470%0.70233%0.33SS*.EExtended strand (participates in β ladder)trans-101117.7179.8-69.7178.6177.3176.7-1.2110.9P610 E617P610-R612 PolarHBondContact O-N 3.43Å; R612-E617 HydrophobicContact CG-CG 3.99Å; R612-E617 IonicContact CZ-OE1 3.44Å; R612-E617 VanDerWaalsContact CZ-OE1 3.28Å; R612-E617 IonicContact NE-OE1 3.77Å; R612-E617 PolarHBondContact NE-OE1 3.13Å; R612-E617 IonicContact NH2-OE1 2.94Å; R612-E617 PolarHBondContact NH2-OE1 3.32Å
613C63.8Low78.5Confident73 Ų7371.4 Ų71.449%0.49334%0.338SS..EExtended strand (participates in β ladder)trans-117163.7169-165.50000109.3D615 F616C613-D615 PolarHBondContact O-N 3.15Å; C613-F616 HydrophobicContact CB-CD1 3.68Å; C613-F616 HydrophobicContact CB-CE1 3.51Å; C613-F616 HydrophobicContact CB-CG 4.33Å; C613-F616 HydrophobicContact CB-CZ 3.98Å; C613-F616 PolarHBondContact N-O 3.36Å; C613-F616 PolarHBondContact O-N 3.29Å; C613-F616 VanDerWaalsContact O-N 3.16Å; C613-F616 VanDerWaalsContact O-O 3.05Å
614Q55.4Low78.2Confident196 Ų19671.6 Ų71.692%0.91634%0.339SS*.THydrogen-bonded Turntrans-55.2-24.3-177.5-73.4-178.7-6.100113.4
615D56.8Low77.7Confident136 Ų13671.9 Ų71.973%0.72735%0.346SS*.THydrogen-bonded Turntrans-112.70.3-176.2-55.5-46.2000114.7R569 C613R569-D615 PolarHBondContact NH2-O 3.25Å; C613-D615 PolarHBondContact O-N 3.15Å
616F74.9Confident77.2Confident32 Ų3272 Ų7214%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-170.4162.2-179.666.3-80.1000117.2F567 R569 C613 L618F567-F616 HydrophobicContact CE2-CE2 4.09Å; F567-F616 HydrophobicContact CE2-CZ 4.27Å; F567-F616 HydrophobicContact CZ-CE2 4.03Å; F567-F616 AromaticContact CZ-CZ 3.91Å; F567-F616 HydrophobicContact CZ-CZ 3.91Å; R569-F616 VanDerWaalsContact NH1-CE1 3.31Å; R569-F616 VanDerWaalsContact NH2-CB 3.27Å; C613-F616 HydrophobicContact CB-CD1 3.68Å; C613-F616 HydrophobicContact CB-CE1 3.51Å; C613-F616 HydrophobicContact CB-CG 4.33Å; C613-F616 HydrophobicContact CB-CZ 3.98Å; C613-F616 PolarHBondContact N-O 3.36Å; C613-F616 PolarHBondContact O-N 3.29Å; C613-F616 VanDerWaalsContact O-N 3.16Å; C613-F616 VanDerWaalsContact O-O 3.05Å; F616-L618 HydrophobicContact CD2-CB 3.8Å; F616-L618 HydrophobicContact CE2-CB 3.99Å
617E77.8Confident76.2Confident110 Ų11074.3 Ų74.351%0.51436%0.362SS..EExtended strand (participates in β ladder)trans-124.9120.8169.8-169.6169.5-154.400109P610 L611 R612P610-E617 HydrophobicContact CB-CG 3.39Å; P610-E617 HydrophobicContact CG-CG 3.83Å; P610-E617 WeakPolarHBondContact CG-OE1 3.47Å; L611-E617 WeakPolarHBondContact O-CA 3.3Å; R612-E617 HydrophobicContact CG-CG 3.99Å; R612-E617 IonicContact CZ-OE1 3.44Å; R612-E617 VanDerWaalsContact CZ-OE1 3.28Å; R612-E617 IonicContact NE-OE1 3.77Å; R612-E617 PolarHBondContact NE-OE1 3.13Å; R612-E617 IonicContact NH2-OE1 2.94Å; R612-E617 PolarHBondContact NH2-OE1 3.32Å
618L82.6Confident75.5Confident19 Ų1972.6 Ų72.610%0.09936%0.36CS..EExtended strand (participates in β ladder)trans-141135.2-176.1-174.376.4000111.5D548 F567 P610 L611 F616D548-L618 HydrophobicContact CB-CD1 3.93Å; F567-L618 HydrophobicContact CD2-CD2 3.19Å; F567-L618 HydrophobicContact CE2-CD2 3.32Å; F567-L618 HydrophobicContact CG-CD2 4.14Å; F567-L618 HydrophobicContact CZ-CD2 4.34Å; P610-L618 CarbonylContact C-O 3.5Å; L611-L618 WeakPolarHBondContact CB-O 3.39Å; L611-L618 PolarHBondContact N-O 3.09Å; L611-L618 PolarHBondContact O-N 3.12Å; F616-L618 HydrophobicContact CD2-CB 3.8Å; F616-L618 HydrophobicContact CE2-CB 3.99Å
619R85.9Confident75.2Confident140 Ų14067.4 Ų67.453%0.52834%0.338SS..  trans-98.5146170-65.5-176.9-171.2-164.30.5110.1G549 E608 P610G549-R619 WeakPolarHBondContact CA-O 3.43Å; E608-R619 PolarHBondContact O-NH1 3.44Å; P610-R619 HydrophobicContact CB-CG 3.79Å
620L86.9Confident75.2Confident8 Ų864.4 Ų64.44%0.04232%0.322CS..  trans-73126.8171.6-62.6-178.6000109.3F551 L565 F567 I603 Y606 R607F551-L620 HydrophobicContact CB-CD2 3.91Å; F551-L620 HydrophobicContact CD1-CB 3.76Å; F551-L620 HydrophobicContact CD1-CD2 4.11Å; F551-L620 HydrophobicContact CD1-CG 4.34Å; F551-L620 HydrophobicContact CD2-CD1 4.19Å; F551-L620 HydrophobicContact CD2-CD2 4.43Å; F551-L620 HydrophobicContact CE1-CB 3.77Å; F551-L620 HydrophobicContact CE2-CD1 4.19Å; F551-L620 HydrophobicContact CG-CB 4.32Å; F551-L620 HydrophobicContact CG-CD1 4.34Å; F551-L620 HydrophobicContact CG-CD2 3.89Å; F551-L620 HydrophobicContact CG-CG 4.41Å; F551-L620 HydrophobicContact CZ-CB 4.33Å; F551-L620 HydrophobicContact CZ-CD1 4.36Å; L565-L620 HydrophobicContact CD1-CD1 4.2Å; L565-L620 HydrophobicContact CD1-CD2 4.27Å; L565-L620 HydrophobicContact CD2-CD1 4.1Å; L565-L620 HydrophobicContact CD2-CD2 4.2Å; F567-L620 HydrophobicContact CB-CD2 4.34Å; I603-L620 HydrophobicContact CD1-CD1 3.89Å; I603-L620 HydrophobicContact CG2-CD1 4.28Å; Y606-L620 PolarHBondContact O-N 2.83Å; R607-L620 HydrophobicContact CG-CB 3.81Å
621T85Confident75.3Confident36 Ų3668.5 Ų68.522%0.22134%0.342CS..  trans-108.7-98-174.855.10000110.8Q547 G549 T550Q547-T621 HydrophobicContact CG-CG2 4.5Å; G549-T621 WeakPolarHBondContact CA-OG1 3.32Å; G549-T621 PolarHBondContact O-N 3.1Å; G549-T621 PolarHBondContact O-OG1 3.03Å; T550-T621 PolarHBondContact N-OG1 3.5Å
622E81.4Confident75.1Confident80 Ų8074.5 Ų74.537%0.37437%0.369SS..PPolyproline II helixtrans-87.5135.6-175.3-64.3-170.215900111.3T550 F551T550-E622 CarbonylContact C-O 3.49Å; T550-E622 WeakPolarHBondContact CA-O 3.23Å; T550-E622 HydrophobicContact CG2-CB 4.43Å; F551-E622 WeakPolarHBondContact CD1-O 3.23Å; F551-E622 PolarHBondContact N-O 3.03Å
623A84.3Confident75.5Confident22 Ų2269.1 Ų69.118%0.18235%0.352CS..BIsolated β-bridgetrans-82.4126.9175.600000109.4W521 P625W521-A623 HydrophobicContact CB-CB 3.66Å; W521-A623 HydrophobicContact CG-CB 4.32Å; A623-P625 VanDerWaalsContact O-CD 3.3Å; A623-P625 WeakPolarHBondContact O-CD 3.2Å
624V82.4Confident76.3Confident4 Ų474.1 Ų74.12%0.02436%0.361CS..PPolyproline II helixtrans-74.9116.4171-179.40000108.1H523 I537 Y540 T550 F551 L552H523-V624 PolarHBondContact NE2-O 3.33Å; I537-V624 HydrophobicContact CB-CG2 4.49Å; I537-V624 HydrophobicContact CG1-CG2 3.97Å; Y540-V624 HydrophobicContact CD1-CG2 3.91Å; Y540-V624 HydrophobicContact CD2-CG1 4.42Å; Y540-V624 HydrophobicContact CE1-CG2 4.49Å; Y540-V624 HydrophobicContact CG-CG1 4.14Å; Y540-V624 HydrophobicContact CG-CG2 4.14Å; T550-V624 HydrophobicContact CG2-CG2 3.47Å; T550-V624 VanDerWaalsContact CG2-CG2 3.47Å; F551-V624 PolarHBondContact O-N 3.49Å; L552-V624 HydrophobicContact CB-CB 4.32Å; L552-V624 HydrophobicContact CD2-CB 4.36Å; L552-V624 HydrophobicContact CD2-CG1 4.39Å
625P73.6Confident77.8Confident61 Ų6165 Ų6540%0.39632%0.318SS..PPolyproline II helixtrans-69151.5-179.628.7-33.3000110.8H523 Y540 A623H523-P625 PolarHBondContact CE1-O 3.42Å; Y540-P625 HydrophobicContact CD2-CG 4.44Å; Y540-P625 VanDerWaalsContact CE2-CD 3.48Å; Y540-P625 HydrophobicContact CE2-CG 4.09Å; A623-P625 VanDerWaalsContact O-CD 3.3Å; A623-P625 WeakPolarHBondContact O-CD 3.2Å
626K72.3Confident79.4Confident59 Ų5959.6 Ų59.626%0.25729%0.288SS..PPolyproline II helixtrans-66.6128.4174.4-171-179.9-175.6-178.70109.9P520 P629 Q632P520-K626 PolarHBondContact O-N 2.95Å; K626-P629 HydrophobicContact CD-CB 4.39Å; K626-P629 WeakPolarHBondContact O-CD 3.42Å; K626-Q632 VanDerWaalsContact NZ-CD 3.27Å
627P65.1Low80Confident60 Ų6059.5 Ų59.539%0.3929%0.287SS..SBendtrans-68.2135.7174.330.3-37.6000110.6L536L536-P627 HydrophobicContact CD1-CG 4.18Å; L536-P627 HydrophobicContact CD2-CB 4.33Å; L536-P627 HydrophobicContact CD2-CG 3.66Å
628D69.1Low80.3Confident56 Ų5658 Ų5830%0.29929%0.288SS..  trans45.354.8173.2-56-51000115.1H630 L631 K687 Y692D628-H630 VanDerWaalsContact CB-CE1 3.47Å; D628-H630 WeakPolarHBondContact CB-CE1 3.44Å; D628-H630 PolarHBondContact O-N 3.43Å; D628-H630 IonicContact OD1-CE1 2.64Å; D628-H630 PolarHBondContact OD1-CE1 2.61Å; D628-L631 HydrophobicContact CB-CD1 3.79Å; D628-L631 HydrophobicContact CB-CG 4.01Å; D628-L631 PolarHBondContact O-N 3.03Å; D628-L631 VanDerWaalsContact O-N 3.08Å; D628-K687 IonicContact OD1-NZ 3.6Å; D628-K687 PolarHBondContact OD1-NZ 3.21Å; D628-Y692 PolarHBondContact OD1-OH 3.35Å; D628-Y692 VanDerWaalsContact OD1-OH 3.12Å
629P73.4Confident80.3Confident29 Ų2963.3 Ų63.319%0.18832%0.317CS..G310 helixtrans-61.9-23.5-174.926.6-34.6000112.9K626 L631 Q632 V704K626-P629 HydrophobicContact CD-CB 4.39Å; K626-P629 WeakPolarHBondContact O-CD 3.42Å; P629-L631 PolarHBondContact O-N 3.43Å; P629-Q632 PolarHBondContact O-N 2.98Å; P629-V704 HydrophobicContact CB-CG2 3.99Å; P629-V704 HydrophobicContact CG-CB 4.39Å; P629-V704 HydrophobicContact CG-CG2 3.82Å
630H80Confident80.4Confident4 Ų457 Ų572%0.01929%0.294CS..G310 helixtrans-62.8-20.5177.361.3-90.7000113.8D628 Q632 E633 W635 F636 L703 V704D628-H630 VanDerWaalsContact CB-CE1 3.47Å; D628-H630 WeakPolarHBondContact CB-CE1 3.44Å; D628-H630 PolarHBondContact O-N 3.43Å; D628-H630 IonicContact OD1-CE1 2.64Å; D628-H630 PolarHBondContact OD1-CE1 2.61Å; H630-Q632 PolarHBondContact O-N 2.74Å; H630-E633 WeakPolarHBondContact O-CB 3.3Å; H630-E633 PolarHBondContact O-N 3.09Å; H630-E633 VanDerWaalsContact O-N 3.07Å; H630-W635 HydrophobicContact CB-CH2 3.83Å; H630-W635 HydrophobicContact CB-CZ3 4.27Å; H630-F636 HydrophobicContact CB-CD2 4.4Å; H630-F636 HydrophobicContact CB-CG 4.5Å; H630-F636 AromaticContact CD2-CD1 3.96Å; H630-F636 AromaticContact CD2-CD2 3.58Å; H630-F636 AromaticContact CD2-CE1 3.82Å; H630-F636 AromaticContact CD2-CE2 3.41Å; H630-F636 VanDerWaalsContact CD2-CE2 3.41Å; H630-F636 WeakPolarHBondContact CD2-CE2 3.34Å; H630-F636 AromaticContact CD2-CG 3.85Å; H630-F636 AromaticContact CD2-CZ 3.54Å; H630-F636 AromaticContact NE2-CE2 3.96Å; H630-F636 AromaticContact NE2-CZ 3.84Å; H630-F636 WeakPolarHBondContact O-CB 3.38Å; H630-L703 HydrophobicContact CB-CB 3.95Å; H630-L703 HydrophobicContact CB-CD1 4.23Å; H630-V704 HydrophobicContact CB-CG2 4.19Å
631L80.2Confident80.4Confident110 Ų11058.1 Ų58.158%0.57630%0.302SS*.G310 helixtrans-65-20.4177.4-66.2176.5000113.3D628 P629 F636D628-L631 HydrophobicContact CB-CD1 3.79Å; D628-L631 HydrophobicContact CB-CG 4.01Å; D628-L631 PolarHBondContact O-N 3.03Å; D628-L631 VanDerWaalsContact O-N 3.08Å; P629-L631 PolarHBondContact O-N 3.43Å; L631-F636 HydrophobicContact CD2-CD1 4.12Å; L631-F636 HydrophobicContact CD2-CE1 3.56Å; L631-F636 HydrophobicContact CD2-CZ 4.29Å
632Q73.7Confident80.3Confident143 Ų14363.2 Ų63.267%0.66832%0.317SS*.G310 helixtrans-93.5-5.7177.1-61.8-172.8-12.100112.6K626 P629 H630K626-Q632 VanDerWaalsContact NZ-CD 3.27Å; P629-Q632 PolarHBondContact O-N 2.98Å; H630-Q632 PolarHBondContact O-N 2.74Å
633E81.3Confident80.3Confident74 Ų7461.5 Ų61.535%0.34632%0.321SS..  trans-88.3132.7-174.9-67.7-69.8147.900111H630 W635 F636 V704H630-E633 WeakPolarHBondContact O-CB 3.3Å; H630-E633 PolarHBondContact O-N 3.09Å; H630-E633 VanDerWaalsContact O-N 3.07Å; E633-W635 HydrophobicContact CB-CD2 3.92Å; E633-W635 HydrophobicContact CB-CG 4.32Å; E633-W635 HydrophobicContact CB-CH2 4.24Å; E633-W635 HydrophobicContact CB-CZ2 3.61Å; E633-W635 HydrophobicContact CG-CH2 4.3Å; E633-W635 HydrophobicContact CG-CZ2 3.52Å; E633-W635 PolarHBondContact O-N 3.38Å; E633-W635 PolarHBondContact OE2-NE1 3.43Å; E633-F636 PolarHBondContact O-N 2.68Å; E633-F636 VanDerWaalsContact O-N 3.11Å; E633-V704 HydrophobicContact CG-CG2 4.08Å
634R80Confident80.3Confident177 Ų17764.8 Ų64.867%0.66833%0.333SS*.THydrogen-bonded Turntrans-71.5-13.5-174.3-58.3-171.8-176.2-173.11.8114.5T726R634-T726 HydrophobicContact CB-CG2 3.59Å
635W87.5Confident80.4Confident6 Ų664.6 Ų64.62%0.02333%0.331CS..THydrogen-bonded Turntrans-87-5.3174.849.3-99.4000113.1H630 E633 F658 L659 I660 L703 V704 V707 P724H630-W635 HydrophobicContact CB-CH2 3.83Å; H630-W635 HydrophobicContact CB-CZ3 4.27Å; E633-W635 HydrophobicContact CB-CD2 3.92Å; E633-W635 HydrophobicContact CB-CG 4.32Å; E633-W635 HydrophobicContact CB-CH2 4.24Å; E633-W635 HydrophobicContact CB-CZ2 3.61Å; E633-W635 HydrophobicContact CG-CH2 4.3Å; E633-W635 HydrophobicContact CG-CZ2 3.52Å; E633-W635 PolarHBondContact O-N 3.38Å; E633-W635 PolarHBondContact OE2-NE1 3.43Å; W635-F658 HydrophobicContact CB-CE2 4.19Å; W635-F658 HydrophobicContact CB-CZ 4.48Å; W635-F658 HydrophobicContact CD2-CE2 4.31Å; W635-F658 HydrophobicContact CG-CE2 4.09Å; W635-F658 HydrophobicContact CG-CZ 4.34Å; W635-L659 WeakPolarHBondContact O-CA 3.46Å; W635-I660 HydrophobicContact CE3-CB 3.89Å; W635-I660 HydrophobicContact CE3-CD1 3.94Å; W635-I660 HydrophobicContact CE3-CG1 4.07Å; W635-I660 HydrophobicContact CH2-CD1 4.16Å; W635-I660 HydrophobicContact CZ3-CB 3.83Å; W635-I660 HydrophobicContact CZ3-CD1 3.45Å; W635-I660 VanDerWaalsContact CZ3-CD1 3.45Å; W635-I660 HydrophobicContact CZ3-CG1 3.99Å; W635-I660 PolarHBondContact O-N 3.22Å; W635-L703 HydrophobicContact CH2-CB 4.25Å; W635-V704 HydrophobicContact CH2-CG2 4.33Å; W635-V704 HydrophobicContact CZ2-CG2 4.13Å; W635-V707 HydrophobicContact CD2-CG2 4.4Å; W635-V707 HydrophobicContact CE3-CG2 4.31Å; W635-V707 HydrophobicContact CH2-CG2 3.79Å; W635-V707 HydrophobicContact CZ2-CB 4.17Å; W635-V707 HydrophobicContact CZ2-CG1 4.44Å; W635-V707 HydrophobicContact CZ2-CG2 3.85Å; W635-V707 HydrophobicContact CZ3-CG2 4.05Å; W635-P724 HydrophobicContact CB-CB 3.77Å; W635-P724 HydrophobicContact CG-CB 4.33Å
636F90.3Very high81Confident22 Ų2264.5 Ų64.510%0.09633%0.326CS..EExtended strand (participates in β ladder)trans-96.9135.9-179-179.5-97.1000112H630 L631 E633 I660 Q662 F670 L703H630-F636 HydrophobicContact CB-CD2 4.4Å; H630-F636 HydrophobicContact CB-CG 4.5Å; H630-F636 AromaticContact CD2-CD1 3.96Å; H630-F636 AromaticContact CD2-CD2 3.58Å; H630-F636 AromaticContact CD2-CE1 3.82Å; H630-F636 AromaticContact CD2-CE2 3.41Å; H630-F636 VanDerWaalsContact CD2-CE2 3.41Å; H630-F636 WeakPolarHBondContact CD2-CE2 3.34Å; H630-F636 AromaticContact CD2-CG 3.85Å; H630-F636 AromaticContact CD2-CZ 3.54Å; H630-F636 AromaticContact NE2-CE2 3.96Å; H630-F636 AromaticContact NE2-CZ 3.84Å; H630-F636 WeakPolarHBondContact O-CB 3.38Å; L631-F636 HydrophobicContact CD2-CD1 4.12Å; L631-F636 HydrophobicContact CD2-CE1 3.56Å; L631-F636 HydrophobicContact CD2-CZ 4.29Å; E633-F636 PolarHBondContact O-N 2.68Å; E633-F636 VanDerWaalsContact O-N 3.11Å; F636-I660 CarbonylContact C-O 3.59Å; F636-I660 WeakPolarHBondContact CA-O 3.35Å; F636-I660 HydrophobicContact CD2-CB 4.32Å; F636-I660 HydrophobicContact CD2-CG2 3.99Å; F636-I660 HydrophobicContact CE2-CG2 4.24Å; F636-Q662 HydrophobicContact CZ-CB 4.3Å; F636-F670 AromaticContact CE2-CD1 3.84Å; F636-F670 HydrophobicContact CE2-CD1 3.84Å; F636-F670 AromaticContact CE2-CE1 3.96Å; F636-F670 HydrophobicContact CE2-CE1 3.96Å; F636-F670 HydrophobicContact CZ-CD1 4.29Å; F636-F670 HydrophobicContact CZ-CE1 4.03Å; F636-L703 HydrophobicContact CD2-CD1 4.46Å; F636-L703 HydrophobicContact CE2-CD1 4.2Å
637Y87.9Confident81.5Confident30 Ų3064.5 Ų64.512%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-128.6117.4179.1-64.1-97.1000111.2L640 Y648 L659 I660 R661 Q662 V725 P727Y637-L640 HydrophobicContact CD1-CB 4.36Å; Y637-L640 HydrophobicContact CD1-CD1 4.49Å; Y637-L640 HydrophobicContact CD1-CD2 4.06Å; Y637-L640 HydrophobicContact CD2-CD2 4.04Å; Y637-L640 HydrophobicContact CE1-CD2 4.49Å; Y637-L640 HydrophobicContact CE2-CD2 4.49Å; Y637-L640 HydrophobicContact CG-CB 4.15Å; Y637-L640 HydrophobicContact CG-CD2 3.8Å; Y637-Y648 HydrophobicContact CE1-CE2 4.4Å; Y637-L659 HydrophobicContact CD2-CB 4Å; Y637-L659 HydrophobicContact CD2-CD1 4.22Å; Y637-L659 HydrophobicContact CD2-CD2 4.46Å; Y637-L659 HydrophobicContact CD2-CG 4.46Å; Y637-L659 HydrophobicContact CE2-CB 3.76Å; Y637-L659 HydrophobicContact CE2-CD2 4.08Å; Y637-L659 HydrophobicContact CE2-CG 4.36Å; Y637-I660 PolarHBondContact N-O 3.36Å; Y637-R661 CarbonylContact O-C 3.54Å; Y637-R661 WeakPolarHBondContact O-CA 3.43Å; Y637-Q662 PolarHBondContact O-N 2.82Å; Y637-V725 PolarHBondContact OH-O 2.93Å; Y637-V725 VanDerWaalsContact OH-O 3.05Å; Y637-P727 HydrophobicContact CE1-CG 4.1Å; Y637-P727 WeakPolarHBondContact OH-CD 3.43Å
638S83.5Confident82.5Confident77 Ų7764.5 Ų64.554%0.53832%0.321SS..SBendtrans-76.8-23178.353.40000113.9
639N82.6Confident83.1Confident132 Ų13261.8 Ų61.871%0.70631%0.307SS*.SBendtrans-141.967.1-176.3-16824.8000111.2
640L87Confident83.3Confident7 Ų765.1 Ų65.14%0.03732%0.323CS..  trans-125.9121177-170.173.4000109.6Y637 Q644 A645 Y648 L659 R661Y637-L640 HydrophobicContact CD1-CB 4.36Å; Y637-L640 HydrophobicContact CD1-CD1 4.49Å; Y637-L640 HydrophobicContact CD1-CD2 4.06Å; Y637-L640 HydrophobicContact CD2-CD2 4.04Å; Y637-L640 HydrophobicContact CE1-CD2 4.49Å; Y637-L640 HydrophobicContact CE2-CD2 4.49Å; Y637-L640 HydrophobicContact CG-CB 4.15Å; Y637-L640 HydrophobicContact CG-CD2 3.8Å; L640-Q644 HydrophobicContact CD1-CB 3.6Å; L640-Q644 HydrophobicContact CG-CB 4.17Å; L640-A645 HydrophobicContact CD2-CB 3.81Å; L640-A645 HydrophobicContact CG-CB 4.32Å; L640-Y648 HydrophobicContact CD1-CD2 4.48Å; L640-Y648 HydrophobicContact CD1-CE2 4.03Å; L640-Y648 HydrophobicContact CD2-CD2 4.49Å; L640-L659 HydrophobicContact CD2-CD1 3.84Å; L640-L659 HydrophobicContact CD2-CD2 3.96Å; L640-R661 HydrophobicContact CB-CB 4.17Å; L640-R661 WeakPolarHBondContact O-CD 3.47Å
641S87.2Confident83.2Confident31 Ų3169.9 Ų69.922%0.21734%0.34CS..  trans-69.5162.1177.770.20000111.1G643 Q644 A645 E664S641-G643 VanDerWaalsContact C-N 3.34Å; S641-G643 PolarHBondContact O-N 3.45Å; S641-Q644 VanDerWaalsContact N-OE1 3.12Å; S641-Q644 PolarHBondContact O-N 2.92Å; S641-Q644 WeakPolarHBondContact OG-CB 3.31Å; S641-Q644 VanDerWaalsContact OG-CD 3.3Å; S641-Q644 VanDerWaalsContact OG-CG 3.26Å; S641-Q644 WeakPolarHBondContact OG-CG 3.19Å; S641-Q644 PolarHBondContact OG-N 2.84Å; S641-Q644 PolarHBondContact OG-OE1 3.07Å; S641-A645 PolarHBondContact O-N 3.09Å; S641-A645 VanDerWaalsContact O-N 3.11Å; S641-E664 WeakPolarHBondContact CB-OE1 3.49Å
642R83.9Confident83Confident143 Ų14364.9 Ų64.954%0.5431%0.314SS..Hα-helixtrans-57.6-46.5176.4-177.7-179.2170.4167.6-0.8111.9A645 E646 H682R642-A645 PolarHBondContact O-N 3.24Å; R642-E646 IonicContact CZ-OE1 3.78Å; R642-E646 IonicContact NE-OE1 3.92Å; R642-E646 PolarHBondContact NE-OE1 2.86Å; R642-E646 IonicContact NH2-OE1 2.83Å; R642-E646 PolarHBondContact NH2-OE1 2.94Å; R642-E646 WeakPolarHBondContact O-CG 3.48Å; R642-E646 PolarHBondContact O-N 3.04Å; R642-H682 PolarHBondContact NE-NE2 3.45Å
643G80.5Confident82.8Confident44 Ų4460.5 Ų60.545%0.45430%0.298SS..Hα-helixtrans-66.1-38.4-177.300000113S641 E646 D647S641-G643 VanDerWaalsContact C-N 3.34Å; S641-G643 PolarHBondContact O-N 3.45Å; G643-E646 PolarHBondContact O-N 3.39Å; G643-D647 PolarHBondContact O-N 3.33Å
644Q84.4Confident82.3Confident91 Ų9159.3 Ų59.343%0.42529%0.29SS..Hα-helixtrans-66.5-38.8175.3-71.2167-47.100112L640 S641 D647 Y648L640-Q644 HydrophobicContact CD1-CB 3.6Å; L640-Q644 HydrophobicContact CG-CB 4.17Å; S641-Q644 VanDerWaalsContact N-OE1 3.12Å; S641-Q644 PolarHBondContact O-N 2.92Å; S641-Q644 WeakPolarHBondContact OG-CB 3.31Å; S641-Q644 VanDerWaalsContact OG-CD 3.3Å; S641-Q644 VanDerWaalsContact OG-CG 3.26Å; S641-Q644 WeakPolarHBondContact OG-CG 3.19Å; S641-Q644 PolarHBondContact OG-N 2.84Å; S641-Q644 PolarHBondContact OG-OE1 3.07Å; Q644-D647 PolarHBondContact O-N 2.97Å; Q644-Y648 VanDerWaalsContact O-CD1 3.25Å; Q644-Y648 WeakPolarHBondContact O-CD1 3.36Å; Q644-Y648 PolarHBondContact O-N 3.03Å
645A85.2Confident82.2Confident0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-63.5-42.5174.500000112.3L640 S641 R642 Y648 L649 L659 T673L640-A645 HydrophobicContact CD2-CB 3.81Å; L640-A645 HydrophobicContact CG-CB 4.32Å; S641-A645 PolarHBondContact O-N 3.09Å; S641-A645 VanDerWaalsContact O-N 3.11Å; R642-A645 PolarHBondContact O-N 3.24Å; A645-Y648 PolarHBondContact O-N 3.04Å; A645-L649 WeakPolarHBondContact O-CD1 3.23Å; A645-L649 PolarHBondContact O-N 3.15Å; A645-L649 VanDerWaalsContact O-N 3.15Å; A645-L659 HydrophobicContact CB-CD1 3.98Å; A645-L659 HydrophobicContact CB-CD2 4.33Å; A645-T673 HydrophobicContact CB-CG2 4.19Å
646E86.7Confident81.7Confident59 Ų5953.5 Ų53.528%0.27627%0.273SS..Hα-helixtrans-60.5-46.7175.3-71173.4-173.800111.3R642 G643 Y648 L649 L650 V680 H682R642-E646 IonicContact CZ-OE1 3.78Å; R642-E646 IonicContact NE-OE1 3.92Å; R642-E646 PolarHBondContact NE-OE1 2.86Å; R642-E646 IonicContact NH2-OE1 2.83Å; R642-E646 PolarHBondContact NH2-OE1 2.94Å; R642-E646 WeakPolarHBondContact O-CG 3.48Å; R642-E646 PolarHBondContact O-N 3.04Å; G643-E646 PolarHBondContact O-N 3.39Å; E646-Y648 PolarHBondContact O-N 3.1Å; E646-L649 PolarHBondContact O-N 3.37Å; E646-L650 WeakPolarHBondContact O-CB 3.48Å; E646-L650 VanDerWaalsContact O-CG 3.25Å; E646-L650 WeakPolarHBondContact O-CG 3.29Å; E646-L650 PolarHBondContact O-N 2.82Å; E646-V680 HydrophobicContact CG-CB 4.35Å; E646-V680 HydrophobicContact CG-CG1 3.99Å; E646-H682 WeakPolarHBondContact CG-NE2 3.4Å; E646-H682 IonicContact OE1-CD2 2.9Å; E646-H682 IonicContact OE1-CE1 3.15Å; E646-H682 IonicContact OE1-NE2 3.44Å; E646-H682 PolarHBondContact OE1-NE2 3.03Å
647D82.4Confident81.5Confident59 Ų5952.4 Ų52.432%0.31627%0.268SS..Hα-helixtrans-59.2-46.7176.1170.861.3000112.5G643 Q644 L649 L650 R651G643-D647 PolarHBondContact O-N 3.33Å; Q644-D647 PolarHBondContact O-N 2.97Å; D647-L649 VanDerWaalsContact C-N 3.3Å; D647-L649 PolarHBondContact O-N 3.47Å; D647-L650 PolarHBondContact O-N 3.09Å; D647-R651 VanDerWaalsContact CG-NE 3.33Å; D647-R651 VanDerWaalsContact CG-NH2 3.28Å; D647-R651 VanDerWaalsContact O-CG 3.28Å; D647-R651 WeakPolarHBondContact O-CG 3.28Å; D647-R651 PolarHBondContact O-N 3.44Å; D647-R651 VanDerWaalsContact O-N 3.16Å; D647-R651 IonicContact OD1-CZ 2.88Å; D647-R651 IonicContact OD1-NE 3.1Å; D647-R651 PolarHBondContact OD1-NE 3.39Å; D647-R651 IonicContact OD1-NH2 2.68Å; D647-R651 PolarHBondContact OD1-NH2 3.23Å; D647-R651 IonicContact OD2-CZ 2.75Å; D647-R651 IonicContact OD2-NE 2.87Å; D647-R651 PolarHBondContact OD2-NE 3.4Å; D647-R651 VanDerWaalsContact OD2-NE 3.14Å; D647-R651 IonicContact OD2-NH2 3.98Å; D647-R651 PolarHBondContact OD2-NH2 3.08Å
648Y85.3Confident81.7Confident60 Ų6051 Ų5124%0.23526%0.263CS..Hα-helixtrans-60.8-39179.6-75.512.9000112.4Y637 L640 Q644 A645 E646 V730Y637-Y648 HydrophobicContact CE1-CE2 4.4Å; L640-Y648 HydrophobicContact CD1-CD2 4.48Å; L640-Y648 HydrophobicContact CD1-CE2 4.03Å; L640-Y648 HydrophobicContact CD2-CD2 4.49Å; Q644-Y648 VanDerWaalsContact O-CD1 3.25Å; Q644-Y648 WeakPolarHBondContact O-CD1 3.36Å; Q644-Y648 PolarHBondContact O-N 3.03Å; A645-Y648 PolarHBondContact O-N 3.04Å; E646-Y648 PolarHBondContact O-N 3.1Å; Y648-V730 HydrophobicContact CD1-CG1 3.75Å; Y648-V730 HydrophobicContact CD1-CG2 4.38Å; Y648-V730 HydrophobicContact CD2-CG1 4.43Å; Y648-V730 HydrophobicContact CD2-CG2 3.79Å; Y648-V730 HydrophobicContact CE1-CG1 3.93Å; Y648-V730 HydrophobicContact CE2-CG2 4.38Å; Y648-V730 HydrophobicContact CG-CG1 4.01Å; Y648-V730 HydrophobicContact CG-CG2 3.78Å
649L81.4Confident82.2Confident0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-79-33.2-180-81.2155.8000113.3A645 E646 D647 R651 I652 A657 L659 T673 R675 V680 V725A645-L649 WeakPolarHBondContact O-CD1 3.23Å; A645-L649 PolarHBondContact O-N 3.15Å; A645-L649 VanDerWaalsContact O-N 3.15Å; E646-L649 PolarHBondContact O-N 3.37Å; D647-L649 VanDerWaalsContact C-N 3.3Å; D647-L649 PolarHBondContact O-N 3.47Å; L649-R651 VanDerWaalsContact C-N 3.28Å; L649-R651 PolarHBondContact O-N 2.89Å; L649-I652 PolarHBondContact O-N 2.73Å; L649-I652 VanDerWaalsContact O-O 3.13Å; L649-A657 HydrophobicContact CD2-CB 3.67Å; L649-A657 WeakPolarHBondContact CD2-O 3.41Å; L649-L659 HydrophobicContact CD1-CD2 4.19Å; L649-L659 HydrophobicContact CD1-CG 4.21Å; L649-L659 HydrophobicContact CG-CD2 4.42Å; L649-T673 HydrophobicContact CD1-CG2 3.36Å; L649-T673 WeakPolarHBondContact CD1-O 3.47Å; L649-R675 HydrophobicContact CD2-CB 4.24Å; L649-R675 PolarHBondContact O-NH1 3.29Å; L649-V680 HydrophobicContact CB-CG1 4.39Å; L649-V680 HydrophobicContact CB-CG2 3.73Å; L649-V680 HydrophobicContact CD1-CG1 4.03Å; L649-V725 HydrophobicContact CD2-CG2 3.54Å; L649-V725 HydrophobicContact CG-CG2 4.09Å
650L78.9Confident82.7Confident99 Ų9941 Ų4152%0.51820%0.204SC..Hα-helixtrans-65.7-32.5174.8-75.6170.4000112E646 D647 I652 R675 V680E646-L650 WeakPolarHBondContact O-CB 3.48Å; E646-L650 VanDerWaalsContact O-CG 3.25Å; E646-L650 WeakPolarHBondContact O-CG 3.29Å; E646-L650 PolarHBondContact O-N 2.82Å; D647-L650 PolarHBondContact O-N 3.09Å; L650-I652 PolarHBondContact O-N 3Å; L650-R675 PolarHBondContact O-NH1 2.88Å; L650-V680 HydrophobicContact CD2-CG2 4.04Å; L650-V680 HydrophobicContact CG-CG2 3.88Å
651R78.1Confident82.9Confident103 Ų10341.6 Ų41.639%0.38921%0.205SC..THydrogen-bonded Turntrans-65.9-20.3174.3-69.7171.3-167.6-150.76.4113.9D647 L649 P653 S734D647-R651 VanDerWaalsContact CG-NE 3.33Å; D647-R651 VanDerWaalsContact CG-NH2 3.28Å; D647-R651 VanDerWaalsContact O-CG 3.28Å; D647-R651 WeakPolarHBondContact O-CG 3.28Å; D647-R651 PolarHBondContact O-N 3.44Å; D647-R651 VanDerWaalsContact O-N 3.16Å; D647-R651 IonicContact OD1-CZ 2.88Å; D647-R651 IonicContact OD1-NE 3.1Å; D647-R651 PolarHBondContact OD1-NE 3.39Å; D647-R651 IonicContact OD1-NH2 2.68Å; D647-R651 PolarHBondContact OD1-NH2 3.23Å; D647-R651 IonicContact OD2-CZ 2.75Å; D647-R651 IonicContact OD2-NE 2.87Å; D647-R651 PolarHBondContact OD2-NE 3.4Å; D647-R651 VanDerWaalsContact OD2-NE 3.14Å; D647-R651 IonicContact OD2-NH2 3.98Å; D647-R651 PolarHBondContact OD2-NH2 3.08Å; L649-R651 VanDerWaalsContact C-N 3.28Å; L649-R651 PolarHBondContact O-N 2.89Å; R651-P653 WeakPolarHBondContact O-CD 3.32Å; R651-S734 PolarHBondContact NH1-OG 3.26Å
652I74.7Confident83Confident6 Ų642.5 Ų42.53%0.03121%0.206CC..SBendtrans-101105.3-178.9-63.4167.8000108.7L649 L650 R654 A657 R675 V725 L729 F733L649-I652 PolarHBondContact O-N 2.73Å; L649-I652 VanDerWaalsContact O-O 3.13Å; L650-I652 PolarHBondContact O-N 3Å; I652-R654 HydrophobicContact CG2-CB 4.4Å; I652-R654 PolarHBondContact O-N 2.74Å; I652-A657 HydrophobicContact CB-CB 4.43Å; I652-A657 HydrophobicContact CG2-CB 3.89Å; I652-R675 VanDerWaalsContact O-CD 3.27Å; I652-R675 WeakPolarHBondContact O-CD 3.4Å; I652-R675 PolarHBondContact O-NH1 3.3Å; I652-V725 HydrophobicContact CD1-CB 4.04Å; I652-V725 HydrophobicContact CD1-CG1 3.64Å; I652-V725 HydrophobicContact CD1-CG2 3.46Å; I652-V725 VanDerWaalsContact CD1-CG2 3.46Å; I652-L729 HydrophobicContact CD1-CD2 3.74Å; I652-L729 HydrophobicContact CD1-CG 4.25Å; I652-L729 HydrophobicContact CG1-CD2 4.47Å; I652-F733 HydrophobicContact CG1-CD2 4.45Å
653P69.9Low83.1Confident51 Ų5139 Ų3933%0.33119%0.193SC..  trans-7944.3-171.635.3-38000113.2R651R651-P653 WeakPolarHBondContact O-CD 3.32Å
654R70.4Confident83Confident48 Ų4843 Ų4318%0.18120%0.199CC..SBendtrans-138.8126.7-179-66.1-65.2-167.7-145.80.5111D478 I652 A657 Y723D478-R654 IonicContact OD2-NH2 3.67Å; D478-R654 PolarHBondContact OD2-NH2 3.04Å; I652-R654 HydrophobicContact CG2-CB 4.4Å; I652-R654 PolarHBondContact O-N 2.74Å; R654-A657 WeakPolarHBondContact O-CB 3.4Å; R654-A657 PolarHBondContact O-N 3.01Å; R654-Y723 HydrophobicContact CB-CD2 4.02Å; R654-Y723 HydrophobicContact CB-CE2 3.86Å
655D77.6Confident82.4Confident61 Ų6142.7 Ų42.733%0.32622%0.221SC..THydrogen-bonded Turntrans-69.3147.3171.1-71.8-5.7000110.4A657 R675 D677 G678 I719 Y723D655-A657 VanDerWaalsContact C-N 3.33Å; D655-R675 WeakPolarHBondContact OD1-CG 3.36Å; D655-R675 IonicContact OD1-NE 3.66Å; D655-D677 VanDerWaalsContact OD2-CA 3.26Å; D655-D677 WeakPolarHBondContact OD2-CA 3.35Å; D655-D677 PolarHBondContact OD2-N 3.49Å; D655-G678 PolarHBondContact OD1-N 2.89Å; D655-G678 PolarHBondContact OD2-N 3.32Å; D655-I719 HydrophobicContact CB-CD1 4.44Å; D655-Y723 WeakPolarHBondContact O-CE2 3.18Å
656G77.4Confident82.2Confident0 Ų045.7 Ų45.70%024%0.235CC..THydrogen-bonded Turntrans860.2-169.900000114.2R675 K720 R722 Y723G656-R675 PolarHBondContact N-O 3.48Å; G656-K720 VanDerWaalsContact CA-O 3.29Å; G656-K720 WeakPolarHBondContact CA-O 3.44Å; G656-R722 PolarHBondContact O-N 2.91Å; G656-Y723 PolarHBondContact O-N 3.46Å
657A86.1Confident81.6Confident0 Ų047.1 Ų47.10%025%0.25CC..EExtended strand (participates in β ladder)trans-67.4136.316700000110.5L649 I652 R654 D655 F674 R675 Y723 V725L649-A657 HydrophobicContact CD2-CB 3.67Å; L649-A657 WeakPolarHBondContact CD2-O 3.41Å; I652-A657 HydrophobicContact CB-CB 4.43Å; I652-A657 HydrophobicContact CG2-CB 3.89Å; R654-A657 WeakPolarHBondContact O-CB 3.4Å; R654-A657 PolarHBondContact O-N 3.01Å; D655-A657 VanDerWaalsContact C-N 3.33Å; A657-F674 CarbonylContact O-C 3.6Å; A657-F674 WeakPolarHBondContact O-CA 3.44Å; A657-F674 VanDerWaalsContact O-CB 3.3Å; A657-F674 WeakPolarHBondContact O-CB 3.44Å; A657-R675 HydrophobicContact CB-CB 4.37Å; A657-R675 PolarHBondContact O-N 2.82Å; A657-Y723 CarbonylContact C-O 3.47Å; A657-Y723 VanDerWaalsContact CA-O 3.28Å; A657-Y723 WeakPolarHBondContact CA-O 3.38Å; A657-V725 HydrophobicContact CB-CG2 4.12Å
658F92.9Very high81.7Confident0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-152.2158-174.379.8-78.2000114.4W635 I672 T673 F674 V707 L721 Y723 P724 V725W635-F658 HydrophobicContact CB-CE2 4.19Å; W635-F658 HydrophobicContact CB-CZ 4.48Å; W635-F658 HydrophobicContact CD2-CE2 4.31Å; W635-F658 HydrophobicContact CG-CE2 4.09Å; W635-F658 HydrophobicContact CG-CZ 4.34Å; F658-I672 HydrophobicContact CD2-CD1 4.47Å; F658-T673 CarbonylContact C-O 3.5Å; F658-T673 VanDerWaalsContact CA-O 3.26Å; F658-T673 WeakPolarHBondContact CA-O 3.39Å; F658-F674 HydrophobicContact CB-CB 3.7Å; F658-V707 HydrophobicContact CE2-CG1 3.72Å; F658-V707 HydrophobicContact CE2-CG2 3.96Å; F658-V707 HydrophobicContact CZ-CG1 3.62Å; F658-L721 HydrophobicContact CB-CD2 3.69Å; F658-L721 HydrophobicContact CD1-CB 3.72Å; F658-L721 HydrophobicContact CD1-CD2 4.19Å; F658-L721 HydrophobicContact CD1-CG 4.42Å; F658-L721 HydrophobicContact CD2-CB 4.45Å; F658-L721 HydrophobicContact CD2-CD1 4.06Å; F658-L721 HydrophobicContact CD2-CD2 4.19Å; F658-L721 HydrophobicContact CD2-CG 4.47Å; F658-L721 HydrophobicContact CE1-CB 3.81Å; F658-L721 HydrophobicContact CE2-CD1 4.19Å; F658-L721 HydrophobicContact CG-CB 4.07Å; F658-L721 HydrophobicContact CG-CD1 4.36Å; F658-L721 HydrophobicContact CG-CD2 3.76Å; F658-L721 HydrophobicContact CG-CG 4.27Å; F658-L721 HydrophobicContact CZ-CB 4.23Å; F658-Y723 WeakPolarHBondContact CD1-O 3.27Å; F658-Y723 PolarHBondContact N-O 3.21Å; F658-P724 HydrophobicContact CE1-CB 4.15Å; F658-P724 HydrophobicContact CZ-CB 4.17Å; F658-V725 PolarHBondContact O-N 3.49Å
659L93Very high81.9Confident0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-147.8159.8167.860.486.2000110.2W635 Y637 L640 A645 L649 R661 T673 V725W635-L659 WeakPolarHBondContact O-CA 3.46Å; Y637-L659 HydrophobicContact CD2-CB 4Å; Y637-L659 HydrophobicContact CD2-CD1 4.22Å; Y637-L659 HydrophobicContact CD2-CD2 4.46Å; Y637-L659 HydrophobicContact CD2-CG 4.46Å; Y637-L659 HydrophobicContact CE2-CB 3.76Å; Y637-L659 HydrophobicContact CE2-CD2 4.08Å; Y637-L659 HydrophobicContact CE2-CG 4.36Å; L640-L659 HydrophobicContact CD2-CD1 3.84Å; L640-L659 HydrophobicContact CD2-CD2 3.96Å; A645-L659 HydrophobicContact CB-CD1 3.98Å; A645-L659 HydrophobicContact CB-CD2 4.33Å; L649-L659 HydrophobicContact CD1-CD2 4.19Å; L649-L659 HydrophobicContact CD1-CG 4.21Å; L649-L659 HydrophobicContact CG-CD2 4.42Å; L659-R661 HydrophobicContact CD1-CB 4.26Å; L659-T673 PolarHBondContact N-O 2.77Å; L659-T673 PolarHBondContact O-N 2.77Å; L659-T673 VanDerWaalsContact O-O 3.12Å; L659-V725 HydrophobicContact CB-CB 4.28Å; L659-V725 HydrophobicContact CD2-CB 4.11Å; L659-V725 HydrophobicContact CD2-CG1 4.14Å
660I92.9Very high82.3Confident0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-115.7133.2170.2-66.9172000108.7W635 F636 Y637 F670 A671 I672 L703 V707W635-I660 HydrophobicContact CE3-CB 3.89Å; W635-I660 HydrophobicContact CE3-CD1 3.94Å; W635-I660 HydrophobicContact CE3-CG1 4.07Å; W635-I660 HydrophobicContact CH2-CD1 4.16Å; W635-I660 HydrophobicContact CZ3-CB 3.83Å; W635-I660 HydrophobicContact CZ3-CD1 3.45Å; W635-I660 VanDerWaalsContact CZ3-CD1 3.45Å; W635-I660 HydrophobicContact CZ3-CG1 3.99Å; W635-I660 PolarHBondContact O-N 3.22Å; F636-I660 CarbonylContact C-O 3.59Å; F636-I660 WeakPolarHBondContact CA-O 3.35Å; F636-I660 HydrophobicContact CD2-CB 4.32Å; F636-I660 HydrophobicContact CD2-CG2 3.99Å; F636-I660 HydrophobicContact CE2-CG2 4.24Å; Y637-I660 PolarHBondContact N-O 3.36Å; I660-F670 HydrophobicContact CG2-CB 4.35Å; I660-A671 WeakPolarHBondContact CA-O 3.48Å; I660-I672 HydrophobicContact CD1-CD1 4.37Å; I660-I672 HydrophobicContact CG1-CB 3.88Å; I660-I672 HydrophobicContact CG1-CD1 4.25Å; I660-I672 HydrophobicContact CG1-CG1 3.94Å; I660-L703 HydrophobicContact CG2-CD1 4.24Å; I660-V707 HydrophobicContact CD1-CG2 3.49Å; I660-V707 VanDerWaalsContact CD1-CG2 3.49Å
661R91.4Very high82.8Confident18 Ų1841.1 Ų41.17%0.06822%0.222CC..EExtended strand (participates in β ladder)trans-123.7142.5178.165.6-169.9-175.775.65.2111.8Y637 L640 L659 F670 A671Y637-R661 CarbonylContact O-C 3.54Å; Y637-R661 WeakPolarHBondContact O-CA 3.43Å; L640-R661 HydrophobicContact CB-CB 4.17Å; L640-R661 WeakPolarHBondContact O-CD 3.47Å; L659-R661 HydrophobicContact CD1-CB 4.26Å; R661-F670 CarbonylContact O-C 3.54Å; R661-F670 WeakPolarHBondContact O-CA 3.32Å; R661-A671 HydrophobicContact CG-CB 4.08Å; R661-A671 PolarHBondContact N-O 3.06Å; R661-A671 PolarHBondContact O-N 2.97Å
662Q90.9Very high83.5Confident51 Ų5136.2 Ų36.224%0.23820%0.204CC..EExtended strand (participates in β ladder)trans-73.4140.5167-166.4171.717.200109.5F636 Y637 P667 F670F636-Q662 HydrophobicContact CZ-CB 4.3Å; Y637-Q662 PolarHBondContact O-N 2.82Å; Q662-P667 PolarHBondContact NE2-O 3.48Å; Q662-F670 HydrophobicContact CB-CD1 4.05Å; Q662-F670 HydrophobicContact CB-CE1 4.18Å; Q662-F670 HydrophobicContact CG-CD1 4.09Å; Q662-F670 HydrophobicContact CG-CE1 3.93Å
663R84.8Confident84.2Confident68 Ų6836 Ų3626%0.25720%0.202SC..PPolyproline II helixtrans-84.4136.5-177.5-69.1-176.359-128.5-13110.7G665 E666 S669 A671 R684R663-G665 PolarHBondContact O-N 3.38Å; R663-E666 IonicContact CZ-OE1 3.5Å; R663-E666 IonicContact CZ-OE2 2.76Å; R663-E666 VanDerWaalsContact NH1-CD 3.27Å; R663-E666 IonicContact NH1-OE1 3.33Å; R663-E666 PolarHBondContact NH1-OE1 3.49Å; R663-E666 VanDerWaalsContact NH1-OE1 3.1Å; R663-E666 IonicContact NH1-OE2 3.12Å; R663-E666 PolarHBondContact NH1-OE2 2.96Å; R663-E666 IonicContact NH2-OE1 3.27Å; R663-E666 PolarHBondContact NH2-OE1 3Å; R663-E666 IonicContact NH2-OE2 3.47Å; R663-E666 PolarHBondContact O-N 2.81Å; R663-S669 WeakPolarHBondContact CB-O 3.49Å; R663-S669 PolarHBondContact N-O 3.03Å; R663-S669 PolarHBondContact NH1-OG 3.48Å; R663-A671 HydrophobicContact CG-CB 4.16Å; R663-R684 VanDerWaalsContact NH1-NH1 3.2Å
664E78.2Confident85.3Confident128 Ų12833.6 Ų33.660%0.59819%0.187SC*.THydrogen-bonded Turntrans-58.7127177.3-69.2172.1-152.900110.9S641 E666S641-E664 WeakPolarHBondContact CB-OE1 3.49Å; E664-E666 VanDerWaalsContact C-N 3.32Å; E664-E666 PolarHBondContact O-N 3.3Å
665G72.9Confident85.9Confident85 Ų8532.2 Ų32.288%0.87618%0.182SC*.THydrogen-bonded Turntrans81.2-2.4176.300000116.3R663R663-G665 PolarHBondContact O-N 3.38Å
666E80.8Confident86Confident64 Ų6429.3 Ų29.330%0.29917%0.166SC..  trans-130.894.5-179.6-67.1179-144.600110.5R663 E664 D668 S669 R684R663-E666 IonicContact CZ-OE1 3.5Å; R663-E666 IonicContact CZ-OE2 2.76Å; R663-E666 VanDerWaalsContact NH1-CD 3.27Å; R663-E666 IonicContact NH1-OE1 3.33Å; R663-E666 PolarHBondContact NH1-OE1 3.49Å; R663-E666 VanDerWaalsContact NH1-OE1 3.1Å; R663-E666 IonicContact NH1-OE2 3.12Å; R663-E666 PolarHBondContact NH1-OE2 2.96Å; R663-E666 IonicContact NH2-OE1 3.27Å; R663-E666 PolarHBondContact NH2-OE1 3Å; R663-E666 IonicContact NH2-OE2 3.47Å; R663-E666 PolarHBondContact O-N 2.81Å; E664-E666 VanDerWaalsContact C-N 3.32Å; E664-E666 PolarHBondContact O-N 3.3Å; E666-D668 VanDerWaalsContact C-N 3.3Å; E666-D668 PolarHBondContact O-N 3.44Å; E666-S669 WeakPolarHBondContact O-CB 3.42Å; E666-S669 PolarHBondContact O-N 3.17Å; E666-S669 VanDerWaalsContact O-N 3.12Å; E666-S669 WeakPolarHBondContact OE2-CB 3.48Å; E666-S669 PolarHBondContact OE2-OG 2.9Å; E666-R684 IonicContact OE2-CZ 3.95Å; E666-R684 IonicContact OE2-NH1 3.36Å; E666-R684 IonicContact OE2-NH2 2.91Å; E666-R684 PolarHBondContact OE2-NH2 3.25Å
667P74.5Confident85.8Confident89 Ų8933.1 Ų33.158%0.57819%0.186SC*.THydrogen-bonded Turntrans-62.7-32.4-171.321.7-31.4000114Q662 S669Q662-P667 PolarHBondContact NE2-O 3.48Å; P667-S669 VanDerWaalsContact C-N 3.33Å
668D84.4Confident85Confident82 Ų8234.7 Ų34.744%0.43920%0.203SC..THydrogen-bonded Turntrans-9419.4179.3-66.7-43000113.4E666 Q686 K687E666-D668 VanDerWaalsContact C-N 3.3Å; E666-D668 PolarHBondContact O-N 3.44Å; D668-Q686 PolarHBondContact O-NE2 3.47Å; D668-Q686 VanDerWaalsContact O-NE2 3.13Å; D668-K687 HydrophobicContact CB-CB 4.05Å; D668-K687 PolarHBondContact O-N 3.08Å
669S87.7Confident84.3Confident0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-129122.9-173.4-164.20000110.3R663 E666 P667 R684R663-S669 WeakPolarHBondContact CB-O 3.49Å; R663-S669 PolarHBondContact N-O 3.03Å; R663-S669 PolarHBondContact NH1-OG 3.48Å; E666-S669 WeakPolarHBondContact O-CB 3.42Å; E666-S669 PolarHBondContact O-N 3.17Å; E666-S669 VanDerWaalsContact O-N 3.12Å; E666-S669 WeakPolarHBondContact OE2-CB 3.48Å; E666-S669 PolarHBondContact OE2-OG 2.9Å; P667-S669 VanDerWaalsContact C-N 3.33Å; S669-R684 PolarHBondContact OG-NE 2.97Å; S669-R684 PolarHBondContact OG-NH2 3.42Å
670F91.3Very high83.8Confident6 Ų643.1 Ų43.13%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-122.3163.7-177.9-52.4-93.8000110F636 I660 R661 Q662 I685 K687 Y692 L703F636-F670 AromaticContact CE2-CD1 3.84Å; F636-F670 HydrophobicContact CE2-CD1 3.84Å; F636-F670 AromaticContact CE2-CE1 3.96Å; F636-F670 HydrophobicContact CE2-CE1 3.96Å; F636-F670 HydrophobicContact CZ-CD1 4.29Å; F636-F670 HydrophobicContact CZ-CE1 4.03Å; I660-F670 HydrophobicContact CG2-CB 4.35Å; R661-F670 CarbonylContact O-C 3.54Å; R661-F670 WeakPolarHBondContact O-CA 3.32Å; Q662-F670 HydrophobicContact CB-CD1 4.05Å; Q662-F670 HydrophobicContact CB-CE1 4.18Å; Q662-F670 HydrophobicContact CG-CD1 4.09Å; Q662-F670 HydrophobicContact CG-CE1 3.93Å; F670-I685 HydrophobicContact CB-CB 4.11Å; F670-I685 PolarHBondContact N-O 2.87Å; F670-I685 PolarHBondContact O-N 2.84Å; F670-K687 HydrophobicContact CE2-CB 4.21Å; F670-Y692 HydrophobicContact CD2-CD1 4.31Å; F670-Y692 HydrophobicContact CD2-CE1 4.15Å; F670-Y692 HydrophobicContact CE2-CD1 4.26Å; F670-Y692 AromaticContact CE2-CE1 3.7Å; F670-Y692 HydrophobicContact CE2-CE1 3.7Å; F670-Y692 HydrophobicContact CZ-CE1 4.22Å; F670-L703 HydrophobicContact CD1-CD1 3.98Å; F670-L703 HydrophobicContact CE1-CD1 4.2Å; F670-L703 HydrophobicContact CG-CD1 4.14Å
671A89.3Confident83.3Confident4 Ų445.4 Ų45.43%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-136.2122.717300000110.6I660 R661 R663 C683I660-A671 WeakPolarHBondContact CA-O 3.48Å; R661-A671 HydrophobicContact CG-CB 4.08Å; R661-A671 PolarHBondContact N-O 3.06Å; R661-A671 PolarHBondContact O-N 2.97Å; R663-A671 HydrophobicContact CG-CB 4.16Å; A671-C683 CarbonylContact C-O 3.56Å; A671-C683 WeakPolarHBondContact CA-O 3.19Å
672I91.9Very high83.1Confident0 Ų046.8 Ų46.80%026%0.259CS..EExtended strand (participates in β ladder)trans-80.6127.3164.6-176.8164.1000108.2F658 I660 H682 C683 I685 L694 L706 L715 L721F658-I672 HydrophobicContact CD2-CD1 4.47Å; I660-I672 HydrophobicContact CD1-CD1 4.37Å; I660-I672 HydrophobicContact CG1-CB 3.88Å; I660-I672 HydrophobicContact CG1-CD1 4.25Å; I660-I672 HydrophobicContact CG1-CG1 3.94Å; I672-H682 CarbonylContact O-C 3.57Å; I672-H682 VanDerWaalsContact O-CA 3.32Å; I672-H682 WeakPolarHBondContact O-CA 3.2Å; I672-C683 HydrophobicContact CG2-CB 3.53Å; I672-C683 PolarHBondContact N-O 2.98Å; I672-C683 PolarHBondContact O-N 2.9Å; I672-I685 HydrophobicContact CB-CD1 4.03Å; I672-I685 HydrophobicContact CG2-CD1 4.06Å; I672-L694 HydrophobicContact CG2-CD1 4.2Å; I672-L706 HydrophobicContact CD1-CD2 4.35Å; I672-L715 HydrophobicContact CD1-CD2 3.89Å; I672-L721 HydrophobicContact CD1-CD1 3.57Å; I672-L721 HydrophobicContact CD1-CD2 3.9Å; I672-L721 HydrophobicContact CD1-CG 4.38Å
673T90.8Very high82.8Confident0 Ų044.8 Ų44.80%025%0.251CS..EExtended strand (participates in β ladder)trans-119.8126.9178-51.20000108.3A645 L649 F658 L659 V680 K681 H682A645-T673 HydrophobicContact CB-CG2 4.19Å; L649-T673 HydrophobicContact CD1-CG2 3.36Å; L649-T673 WeakPolarHBondContact CD1-O 3.47Å; F658-T673 CarbonylContact C-O 3.5Å; F658-T673 VanDerWaalsContact CA-O 3.26Å; F658-T673 WeakPolarHBondContact CA-O 3.39Å; L659-T673 PolarHBondContact N-O 2.77Å; L659-T673 PolarHBondContact O-N 2.77Å; L659-T673 VanDerWaalsContact O-O 3.12Å; T673-V680 HydrophobicContact CG2-CG1 3.38Å; T673-K681 VanDerWaalsContact CA-O 3.3Å; T673-K681 WeakPolarHBondContact CA-O 3.43Å; T673-H682 WeakPolarHBondContact CG2-CE1 3.26Å; T673-H682 WeakPolarHBondContact CG2-ND1 3.31Å; T673-H682 PolarHBondContact OG1-ND1 3.24Å
674F91.1Very high82.8Confident2 Ų247.6 Ų47.61%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-145.3159.3-17668.9-85000112A657 F658 V680 K681 L715 Y716 L721 F1131A657-F674 CarbonylContact O-C 3.6Å; A657-F674 WeakPolarHBondContact O-CA 3.44Å; A657-F674 VanDerWaalsContact O-CB 3.3Å; A657-F674 WeakPolarHBondContact O-CB 3.44Å; F658-F674 HydrophobicContact CB-CB 3.7Å; F674-V680 CarbonylContact O-C 3.5Å; F674-V680 WeakPolarHBondContact O-CA 3.32Å; F674-K681 HydrophobicContact CD1-CB 4.39Å; F674-K681 HydrophobicContact CE1-CB 3.84Å; F674-K681 HydrophobicContact CE2-CB 4.09Å; F674-K681 HydrophobicContact CE2-CD 4.19Å; F674-K681 HydrophobicContact CZ-CB 3.67Å; F674-K681 HydrophobicContact CZ-CD 3.99Å; F674-K681 HydrophobicContact CZ-CG 4.39Å; F674-K681 PolarHBondContact N-O 2.8Å; F674-K681 PolarHBondContact O-N 2.78Å; F674-L715 HydrophobicContact CD1-CD2 3.75Å; F674-L715 HydrophobicContact CE1-CD2 3.65Å; F674-L715 HydrophobicContact CE1-CG 4.31Å; F674-L715 HydrophobicContact CG-CD2 4.37Å; F674-L715 HydrophobicContact CZ-CD2 4.2Å; F674-L715 HydrophobicContact CZ-CG 4.47Å; F674-Y716 HydrophobicContact CE2-CD1 4.1Å; F674-Y716 HydrophobicContact CE2-CG 4.02Å; F674-Y716 HydrophobicContact CZ-CG 4.05Å; F674-L721 HydrophobicContact CB-CD2 4.35Å; F674-F1131 AromaticContact CE1-CE1 3.82Å; F674-F1131 HydrophobicContact CE1-CE1 3.82Å; F674-F1131 AromaticContact CE1-CZ 3.83Å; F674-F1131 HydrophobicContact CE1-CZ 3.83Å; F674-F1131 AromaticContact CZ-CE1 3.65Å; F674-F1131 HydrophobicContact CZ-CE1 3.65Å; F674-F1131 AromaticContact CZ-CZ 3.67Å; F674-F1131 HydrophobicContact CZ-CZ 3.67Å
675R84.6Confident83.4Confident19 Ų1941.5 Ų41.57%0.07223%0.233CC..EExtended strand (participates in β ladder)trans-97.7130.5176.2-172.7177.8171.3144.84.4110.3L649 L650 I652 D655 G656 A657 K679L649-R675 HydrophobicContact CD2-CB 4.24Å; L649-R675 PolarHBondContact O-NH1 3.29Å; L650-R675 PolarHBondContact O-NH1 2.88Å; I652-R675 VanDerWaalsContact O-CD 3.27Å; I652-R675 WeakPolarHBondContact O-CD 3.4Å; I652-R675 PolarHBondContact O-NH1 3.3Å; D655-R675 WeakPolarHBondContact OD1-CG 3.36Å; D655-R675 IonicContact OD1-NE 3.66Å; G656-R675 PolarHBondContact N-O 3.48Å; A657-R675 HydrophobicContact CB-CB 4.37Å; A657-R675 PolarHBondContact O-N 2.82Å; R675-K679 CarbonylContact C-O 3.6Å; R675-K679 WeakPolarHBondContact CA-O 3.41Å
676G78.2Confident84Confident0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-155.6137.2176.600000112.4G678 K679G676-G678 PolarHBondContact O-N 2.8Å; G676-K679 PolarHBondContact N-O 3.44Å; G676-K679 PolarHBondContact O-N 2.87Å; G676-K679 VanDerWaalsContact O-O 3.07Å
677D74.7Confident84.1Confident79 Ų7939.5 Ų39.542%0.42220%0.2SC..THydrogen-bonded Turntrans53.139.5-171.1-55.4-32.3000111.6D655 K679 Y716 R717D655-D677 VanDerWaalsContact OD2-CA 3.26Å; D655-D677 WeakPolarHBondContact OD2-CA 3.35Å; D655-D677 PolarHBondContact OD2-N 3.49Å; D677-K679 PolarHBondContact O-N 2.85Å; D677-K679 VanDerWaalsContact O-N 3.14Å; D677-Y716 WeakPolarHBondContact OD2-CE1 3.17Å; D677-Y716 PolarHBondContact OD2-OH 2.85Å; D677-R717 IonicContact OD2-CZ 3.4Å; D677-R717 IonicContact OD2-NE 3.43Å; D677-R717 IonicContact OD2-NH1 2.92Å; D677-R717 PolarHBondContact OD2-NH1 3.33Å
678G68.8Low84.3Confident34 Ų3440.9 Ų40.935%0.35120%0.199SC..THydrogen-bonded Turntrans69.23.8-176.300000115.8D655 G676D655-G678 PolarHBondContact OD1-N 2.89Å; D655-G678 PolarHBondContact OD2-N 3.32Å; G676-G678 PolarHBondContact O-N 2.8Å
679K77.6Confident83.8Confident146 Ų14640.3 Ų40.364%0.63521%0.213SC*.EExtended strand (participates in β ladder)trans-116.1152.5-179.1-63.2-178.8-175.4176.60111.7R675 G676 D677R675-K679 CarbonylContact C-O 3.6Å; R675-K679 WeakPolarHBondContact CA-O 3.41Å; G676-K679 PolarHBondContact N-O 3.44Å; G676-K679 PolarHBondContact O-N 2.87Å; G676-K679 VanDerWaalsContact O-O 3.07Å; D677-K679 PolarHBondContact O-N 2.85Å; D677-K679 VanDerWaalsContact O-N 3.14Å
680V83.4Confident82.9Confident30 Ų3044.6 Ų44.618%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-88.5133.9173.2-1770000110.2E646 L649 L650 T673 F674E646-V680 HydrophobicContact CG-CB 4.35Å; E646-V680 HydrophobicContact CG-CG1 3.99Å; L649-V680 HydrophobicContact CB-CG1 4.39Å; L649-V680 HydrophobicContact CB-CG2 3.73Å; L649-V680 HydrophobicContact CD1-CG1 4.03Å; L650-V680 HydrophobicContact CD2-CG2 4.04Å; L650-V680 HydrophobicContact CG-CG2 3.88Å; T673-V680 HydrophobicContact CG2-CG1 3.38Å; F674-V680 CarbonylContact O-C 3.5Å; F674-V680 WeakPolarHBondContact O-CA 3.32Å
681K83.1Confident82.1Confident48 Ų4846.1 Ų46.121%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-123.6152178.3-66.3-172.1175.5-125.30110.5T673 F674 Y716 F1131T673-K681 VanDerWaalsContact CA-O 3.3Å; T673-K681 WeakPolarHBondContact CA-O 3.43Å; F674-K681 HydrophobicContact CD1-CB 4.39Å; F674-K681 HydrophobicContact CE1-CB 3.84Å; F674-K681 HydrophobicContact CE2-CB 4.09Å; F674-K681 HydrophobicContact CE2-CD 4.19Å; F674-K681 HydrophobicContact CZ-CB 3.67Å; F674-K681 HydrophobicContact CZ-CD 3.99Å; F674-K681 HydrophobicContact CZ-CG 4.39Å; F674-K681 PolarHBondContact N-O 2.8Å; F674-K681 PolarHBondContact O-N 2.78Å; K681-Y716 HydrophobicContact CD-CD1 4.19Å; K681-Y716 HydrophobicContact CD-CD2 4.06Å; K681-Y716 HydrophobicContact CD-CE1 4.08Å; K681-Y716 HydrophobicContact CD-CE2 3.94Å; K681-Y716 HydrophobicContact CD-CG 4.18Å; K681-Y716 VanDerWaalsContact CE-OH 3.28Å; K681-Y716 WeakPolarHBondContact CE-OH 3.21Å; K681-Y716 PolarHBondContact NZ-OH 3.15Å; K681-F1131 HydrophobicContact CD-CD1 4.36Å; K681-F1131 HydrophobicContact CD-CE1 4.48Å
682H85.4Confident81.9Confident47 Ų4746.3 Ų46.322%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-128.8133.5178.5-51.1-92.1000110.7R642 E646 I672 T673R642-H682 PolarHBondContact NE-NE2 3.45Å; E646-H682 WeakPolarHBondContact CG-NE2 3.4Å; E646-H682 IonicContact OE1-CD2 2.9Å; E646-H682 IonicContact OE1-CE1 3.15Å; E646-H682 IonicContact OE1-NE2 3.44Å; E646-H682 PolarHBondContact OE1-NE2 3.03Å; I672-H682 CarbonylContact O-C 3.57Å; I672-H682 VanDerWaalsContact O-CA 3.32Å; I672-H682 WeakPolarHBondContact O-CA 3.2Å; T673-H682 WeakPolarHBondContact CG2-CE1 3.26Å; T673-H682 WeakPolarHBondContact CG2-ND1 3.31Å; T673-H682 PolarHBondContact OG1-ND1 3.24Å
683C84.9Confident81.4Confident10 Ų1047.1 Ų47.17%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-119137.5168.4-41.90000109.7A671 I672 L694 M1130 F1131A671-C683 CarbonylContact C-O 3.56Å; A671-C683 WeakPolarHBondContact CA-O 3.19Å; I672-C683 HydrophobicContact CG2-CB 3.53Å; I672-C683 PolarHBondContact N-O 2.98Å; I672-C683 PolarHBondContact O-N 2.9Å; C683-L694 HydrophobicContact CB-CD1 3.78Å; C683-M1130 HydrophobicContact CB-SD 4.44Å; C683-F1131 WeakPolarHBondContact SG-CE1 3.25Å; C683-F1131 WeakPolarHBondContact SG-CZ 3.4Å
684R86.2Confident81Confident127 Ų12747.2 Ų47.248%0.47926%0.257SS..EExtended strand (participates in β ladder)trans-79.8138.3173.7-175.2178.7175.21553.6110R663 E666 S669R663-R684 VanDerWaalsContact NH1-NH1 3.2Å; E666-R684 IonicContact OE2-CZ 3.95Å; E666-R684 IonicContact OE2-NH1 3.36Å; E666-R684 IonicContact OE2-NH2 2.91Å; E666-R684 PolarHBondContact OE2-NH2 3.25Å; S669-R684 PolarHBondContact OG-NE 2.97Å; S669-R684 PolarHBondContact OG-NH2 3.42Å
685I89.6Confident80.1Confident0 Ų049 Ų490%028%0.276CS..EExtended strand (participates in β ladder)trans-120.8127.8171.5-60.2159.4000107.1F670 I672 Y692 L693 L694 L703 L706F670-I685 HydrophobicContact CB-CB 4.11Å; F670-I685 PolarHBondContact N-O 2.87Å; F670-I685 PolarHBondContact O-N 2.84Å; I672-I685 HydrophobicContact CB-CD1 4.03Å; I672-I685 HydrophobicContact CG2-CD1 4.06Å; I685-Y692 HydrophobicContact CG2-CD1 4.2Å; I685-L693 CarbonylContact C-O 3.52Å; I685-L693 VanDerWaalsContact CA-O 3.25Å; I685-L693 WeakPolarHBondContact CA-O 3.37Å; I685-L694 HydrophobicContact CD1-CD1 4.29Å; I685-L694 HydrophobicContact CG1-CB 4.48Å; I685-L694 HydrophobicContact CG1-CD1 3.51Å; I685-L703 HydrophobicContact CD1-CD2 3.92Å; I685-L703 HydrophobicContact CG2-CD2 3.82Å; I685-L706 HydrophobicContact CD1-CD1 3.84Å; I685-L706 HydrophobicContact CG1-CD1 4.18Å
686Q86.5Confident79.1Confident54 Ų5452.4 Ų52.425%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-111.3132.1180-168.46641.500109.4D668 E688 L693D668-Q686 PolarHBondContact O-NE2 3.47Å; D668-Q686 VanDerWaalsContact O-NE2 3.13Å; Q686-E688 HydrophobicContact CG-CG 4.34Å; Q686-L693 PolarHBondContact N-O 3.48Å; Q686-L693 PolarHBondContact O-N 3.02Å
687K82.5Confident78.5Confident52 Ų5253.5 Ų53.523%0.22631%0.306CS..EExtended strand (participates in β ladder)trans-87.8122.2171.6-173.1178.1-178.4176.60108.6D628 D668 F670 V691 Y692D628-K687 IonicContact OD1-NZ 3.6Å; D628-K687 PolarHBondContact OD1-NZ 3.21Å; D668-K687 HydrophobicContact CB-CB 4.05Å; D668-K687 PolarHBondContact O-N 3.08Å; F670-K687 HydrophobicContact CE2-CB 4.21Å; K687-V691 WeakPolarHBondContact CA-O 3.34Å; K687-Y692 HydrophobicContact CB-CD1 4.21Å; K687-Y692 HydrophobicContact CB-CE1 4.17Å; K687-Y692 HydrophobicContact CD-CE1 4Å; K687-Y692 HydrophobicContact CG-CD1 4.41Å; K687-Y692 HydrophobicContact CG-CE1 4.12Å
688E79.1Confident78.5Confident118 Ų11850.1 Ų50.155%0.55129%0.288SS*.EExtended strand (participates in β ladder)trans-121.9102.2175.6-68.3-168.4-17800108.6Q686 S690 V691 L693Q686-E688 HydrophobicContact CG-CG 4.34Å; E688-S690 PolarHBondContact O-N 3.5Å; E688-V691 PolarHBondContact N-O 3.48Å; E688-V691 WeakPolarHBondContact O-CG2 3.14Å; E688-V691 PolarHBondContact O-N 3.26Å; E688-L693 HydrophobicContact CB-CD1 4.21Å; E688-L693 VanDerWaalsContact CD-CD1 3.41Å; E688-L693 HydrophobicContact CG-CD1 3.91Å; E688-L693 WeakPolarHBondContact OE2-CD1 3.38Å
689G72.9Confident79.1Confident71 Ų7154.3 Ų54.373%0.73230%0.298SS*.THydrogen-bonded Turntrans62-119.1-172.900000111.7
690S68.7Low79.3Confident89 Ų8947.6 Ų47.662%0.62227%0.269SS*.THydrogen-bonded Turntrans-92.40.1-179.365.60000114.5E688E688-S690 PolarHBondContact O-N 3.5Å
691V75.8Confident79.1Confident39 Ų3953.7 Ų53.724%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-118.4152.6-175.4-64.80000112.6K687 E688 F700K687-V691 WeakPolarHBondContact CA-O 3.34Å; E688-V691 PolarHBondContact N-O 3.48Å; E688-V691 WeakPolarHBondContact O-CG2 3.14Å; E688-V691 PolarHBondContact O-N 3.26Å; V691-F700 WeakPolarHBondContact CA-O 3.02Å
692Y83.6Confident79.2Confident8 Ų852.5 Ų52.53%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-108.1117.5176.1-65.3-96.8000109.6D628 F670 I685 K687 F700 L703D628-Y692 PolarHBondContact OD1-OH 3.35Å; D628-Y692 VanDerWaalsContact OD1-OH 3.12Å; F670-Y692 HydrophobicContact CD2-CD1 4.31Å; F670-Y692 HydrophobicContact CD2-CE1 4.15Å; F670-Y692 HydrophobicContact CE2-CD1 4.26Å; F670-Y692 AromaticContact CE2-CE1 3.7Å; F670-Y692 HydrophobicContact CE2-CE1 3.7Å; F670-Y692 HydrophobicContact CZ-CE1 4.22Å; I685-Y692 HydrophobicContact CG2-CD1 4.2Å; K687-Y692 HydrophobicContact CB-CD1 4.21Å; K687-Y692 HydrophobicContact CB-CE1 4.17Å; K687-Y692 HydrophobicContact CD-CE1 4Å; K687-Y692 HydrophobicContact CG-CD1 4.41Å; K687-Y692 HydrophobicContact CG-CE1 4.12Å; Y692-F700 PolarHBondContact N-O 3.07Å; Y692-F700 PolarHBondContact O-N 3.04Å; Y692-L703 HydrophobicContact CD1-CD1 4.41Å; Y692-L703 HydrophobicContact CD1-CD2 3.64Å; Y692-L703 HydrophobicContact CD1-CG 3.7Å; Y692-L703 HydrophobicContact CE1-CD1 4.04Å; Y692-L703 HydrophobicContact CE1-CD2 4.12Å; Y692-L703 HydrophobicContact CE1-CG 3.67Å; Y692-L703 HydrophobicContact CG-CD2 4.17Å; Y692-L703 HydrophobicContact CG-CG 4.26Å
693L81.6Confident79.1Confident17 Ų1750.3 Ų50.39%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-94.9119.8178.1-92.9152.2000110.9I685 Q686 E688 T698 E699I685-L693 CarbonylContact C-O 3.52Å; I685-L693 VanDerWaalsContact CA-O 3.25Å; I685-L693 WeakPolarHBondContact CA-O 3.37Å; Q686-L693 PolarHBondContact N-O 3.48Å; Q686-L693 PolarHBondContact O-N 3.02Å; E688-L693 HydrophobicContact CB-CD1 4.21Å; E688-L693 VanDerWaalsContact CD-CD1 3.41Å; E688-L693 HydrophobicContact CG-CD1 3.91Å; E688-L693 WeakPolarHBondContact OE2-CD1 3.38Å; L693-T698 CarbonylContact C-O 3.45Å; L693-T698 WeakPolarHBondContact CA-O 3.12Å; L693-E699 HydrophobicContact CD2-CG 3.77Å; L693-E699 HydrophobicContact CG-CG 4.06Å
694L82.1Confident79.2Confident1 Ų151 Ų511%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-99.6120.2167.9-179.472.2000109.2I672 C683 I685 T698 F700 L706 F710 L715 M1130I672-L694 HydrophobicContact CG2-CD1 4.2Å; C683-L694 HydrophobicContact CB-CD1 3.78Å; I685-L694 HydrophobicContact CD1-CD1 4.29Å; I685-L694 HydrophobicContact CG1-CB 4.48Å; I685-L694 HydrophobicContact CG1-CD1 3.51Å; L694-T698 PolarHBondContact N-O 3.49Å; L694-T698 WeakPolarHBondContact O-CB 3.43Å; L694-T698 PolarHBondContact O-N 3.49Å; L694-F700 HydrophobicContact CB-CD2 4.5Å; L694-F700 HydrophobicContact CB-CE2 4.07Å; L694-F700 HydrophobicContact CD2-CE2 4.38Å; L694-L706 HydrophobicContact CB-CD1 4.12Å; L694-L706 HydrophobicContact CD2-CD1 4.4Å; L694-F710 HydrophobicContact CD2-CD2 4.44Å; L694-F710 HydrophobicContact CD2-CE2 3.39Å; L694-F710 HydrophobicContact CD2-CZ 3.64Å; L694-L715 HydrophobicContact CD2-CD1 3.98Å; L694-M1130 HydrophobicContact CD1-SD 4.29Å; L694-M1130 HydrophobicContact CD2-CE 3.95Å; L694-M1130 HydrophobicContact CD2-SD 4.2Å; L694-M1130 HydrophobicContact CG-CE 3.92Å; L694-M1130 HydrophobicContact CG-SD 3.97Å
695G73.5Confident79.1Confident41 Ų4147.5 Ų47.542%0.42328%0.277SS..THydrogen-bonded Turntrans74.8-134.2-172.900000112
696T63.6Low79Confident90 Ų9047.5 Ų47.555%0.55228%0.277SS*.THydrogen-bonded Turntrans-104.1-18.8179.949.50000114.2D1095T696-D1095 PolarHBondContact OG1-OD1 2.93Å
697T63.9Low79Confident23 Ų2345 Ų4514%0.14127%0.265CS..THydrogen-bonded Turntrans-144.1-6.8-165.258.40000116I1071 D1095T697-I1071 HydrophobicContact CG2-CB 4Å; T697-I1071 HydrophobicContact CG2-CD1 4Å; T697-I1071 HydrophobicContact CG2-CG1 4.13Å; T697-I1071 PolarHBondContact OG1-N 3.44Å; T697-D1095 HydrophobicContact CG2-CB 4.19Å; T697-D1095 WeakPolarHBondContact CG2-OD1 3.46Å
698T75.3Confident79.1Confident8 Ų846.2 Ų46.25%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-94.9110.6-178.3-47.70000110.8L693 L694 F700 R1069L693-T698 CarbonylContact C-O 3.45Å; L693-T698 WeakPolarHBondContact CA-O 3.12Å; L694-T698 PolarHBondContact N-O 3.49Å; L694-T698 WeakPolarHBondContact O-CB 3.43Å; L694-T698 PolarHBondContact O-N 3.49Å; T698-F700 HydrophobicContact CG2-CD2 4.25Å; T698-F700 HydrophobicContact CG2-CE2 3.36Å; T698-F700 HydrophobicContact CG2-CZ 3.55Å; T698-R1069 HydrophobicContact CG2-CB 4.01Å
699E81.2Confident79.2Confident121 Ų12143.1 Ų43.157%0.56526%0.257SS*.EExtended strand (participates in β ladder)trans-97.5142.1-178.5-64.3173.1-168.100111.8L693L693-E699 HydrophobicContact CD2-CG 3.77Å; L693-E699 HydrophobicContact CG-CG 4.06Å
700F82.5Confident79.7Confident5 Ų540.4 Ų40.42%0.02223%0.225CC..EExtended strand (participates in β ladder)trans-136.4146.6173.7-62-85.9000110.2V691 Y692 L694 T698 S702 L706 Y709 F710V691-F700 WeakPolarHBondContact CA-O 3.02Å; Y692-F700 PolarHBondContact N-O 3.07Å; Y692-F700 PolarHBondContact O-N 3.04Å; L694-F700 HydrophobicContact CB-CD2 4.5Å; L694-F700 HydrophobicContact CB-CE2 4.07Å; L694-F700 HydrophobicContact CD2-CE2 4.38Å; T698-F700 HydrophobicContact CG2-CD2 4.25Å; T698-F700 HydrophobicContact CG2-CE2 3.36Å; T698-F700 HydrophobicContact CG2-CZ 3.55Å; F700-S702 VanDerWaalsContact C-N 3.32Å; F700-L706 HydrophobicContact CB-CB 4.19Å; F700-L706 HydrophobicContact CD1-CB 3.94Å; F700-L706 HydrophobicContact CD1-CG 4.48Å; F700-L706 HydrophobicContact CD2-CB 3.96Å; F700-L706 HydrophobicContact CD2-CD1 3.65Å; F700-L706 HydrophobicContact CD2-CG 3.86Å; F700-L706 HydrophobicContact CE1-CB 4.28Å; F700-L706 HydrophobicContact CE1-CG 4.45Å; F700-L706 HydrophobicContact CE2-CB 4.28Å; F700-L706 HydrophobicContact CE2-CD1 3.83Å; F700-L706 HydrophobicContact CE2-CG 3.81Å; F700-L706 HydrophobicContact CG-CB 3.76Å; F700-L706 HydrophobicContact CG-CD1 4.28Å; F700-L706 HydrophobicContact CG-CG 4.19Å; F700-L706 HydrophobicContact CZ-CB 4.44Å; F700-L706 HydrophobicContact CZ-CG 4.12Å; F700-Y709 AromaticContact CE1-CD1 3.96Å; F700-Y709 HydrophobicContact CE1-CD1 3.96Å; F700-Y709 AromaticContact CE1-CG 3.89Å; F700-Y709 HydrophobicContact CE1-CG 3.89Å; F700-Y709 HydrophobicContact CZ-CD1 4.06Å; F700-Y709 HydrophobicContact CZ-CG 4.46Å; F700-F710 HydrophobicContact CE2-CE2 4.07Å; F700-F710 HydrophobicContact CZ-CD2 4.45Å; F700-F710 AromaticContact CZ-CE2 3.6Å; F700-F710 HydrophobicContact CZ-CE2 3.6Å; F700-F710 HydrophobicContact CZ-CZ 4.09Å
701E80.1Confident80.4Confident158 Ų15840.1 Ų40.174%0.73821%0.213SC*.SBendtrans-73.8-27.1176.8-62.7-178.6173.400111.6E705E701-E705 PolarHBondContact N-OE2 2.91Å
702S83.6Confident80.5Confident24 Ų2446.1 Ų46.117%0.16824%0.236CC..  trans-153.6159.1175.870.20000112.9F700 V704 E705 L706F700-S702 VanDerWaalsContact C-N 3.32Å; S702-V704 PolarHBondContact O-N 2.89Å; S702-V704 PolarHBondContact OG-N 3.42Å; S702-E705 WeakPolarHBondContact O-CB 3.3Å; S702-E705 PolarHBondContact O-N 3.19Å; S702-E705 PolarHBondContact OG-N 2.88Å; S702-E705 VanDerWaalsContact OG-N 3.08Å; S702-L706 PolarHBondContact O-N 3.24Å
703L84.7Confident80.2Confident0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-59.6-28.5170.7-68.1178.8000112.8H630 W635 F636 I660 F670 I685 Y692 L706 V707H630-L703 HydrophobicContact CB-CB 3.95Å; H630-L703 HydrophobicContact CB-CD1 4.23Å; W635-L703 HydrophobicContact CH2-CB 4.25Å; F636-L703 HydrophobicContact CD2-CD1 4.46Å; F636-L703 HydrophobicContact CE2-CD1 4.2Å; I660-L703 HydrophobicContact CG2-CD1 4.24Å; F670-L703 HydrophobicContact CD1-CD1 3.98Å; F670-L703 HydrophobicContact CE1-CD1 4.2Å; F670-L703 HydrophobicContact CG-CD1 4.14Å; I685-L703 HydrophobicContact CD1-CD2 3.92Å; I685-L703 HydrophobicContact CG2-CD2 3.82Å; Y692-L703 HydrophobicContact CD1-CD1 4.41Å; Y692-L703 HydrophobicContact CD1-CD2 3.64Å; Y692-L703 HydrophobicContact CD1-CG 3.7Å; Y692-L703 HydrophobicContact CE1-CD1 4.04Å; Y692-L703 HydrophobicContact CE1-CD2 4.12Å; Y692-L703 HydrophobicContact CE1-CG 3.67Å; Y692-L703 HydrophobicContact CG-CD2 4.17Å; Y692-L703 HydrophobicContact CG-CG 4.26Å; L703-L706 WeakPolarHBondContact O-CB 3.41Å; L703-L706 PolarHBondContact O-N 3.29Å; L703-V707 WeakPolarHBondContact O-CG2 3.32Å; L703-V707 PolarHBondContact O-N 3.05Å
704V85.4Confident80.1Confident25 Ų2553.3 Ų53.315%0.15227%0.273CS..Hα-helixtrans-71.7-42.5177.2178.20000110.7P629 H630 E633 W635 S702 L706 V707 N708P629-V704 HydrophobicContact CB-CG2 3.99Å; P629-V704 HydrophobicContact CG-CB 4.39Å; P629-V704 HydrophobicContact CG-CG2 3.82Å; H630-V704 HydrophobicContact CB-CG2 4.19Å; E633-V704 HydrophobicContact CG-CG2 4.08Å; W635-V704 HydrophobicContact CH2-CG2 4.33Å; W635-V704 HydrophobicContact CZ2-CG2 4.13Å; S702-V704 PolarHBondContact O-N 2.89Å; S702-V704 PolarHBondContact OG-N 3.42Å; V704-L706 VanDerWaalsContact C-N 3.31Å; V704-L706 PolarHBondContact O-N 3.24Å; V704-V707 PolarHBondContact O-N 3.16Å; V704-N708 WeakPolarHBondContact O-CB 3.37Å; V704-N708 VanDerWaalsContact O-CG 3.28Å; V704-N708 PolarHBondContact O-N 3.16Å; V704-N708 PolarHBondContact O-ND2 3.2Å
705E85.4Confident80.1Confident54 Ų5454 Ų5425%0.25228%0.276SS..Hα-helixtrans-59.6-44.1172.4-166.6-145.5152.900110.8E701 S702 V707 N708 Y709 R1069E701-E705 PolarHBondContact N-OE2 2.91Å; S702-E705 WeakPolarHBondContact O-CB 3.3Å; S702-E705 PolarHBondContact O-N 3.19Å; S702-E705 PolarHBondContact OG-N 2.88Å; S702-E705 VanDerWaalsContact OG-N 3.08Å; E705-V707 PolarHBondContact O-N 2.8Å; E705-N708 PolarHBondContact O-N 3.21Å; E705-Y709 WeakPolarHBondContact O-CB 3.2Å; E705-Y709 PolarHBondContact O-N 3.07Å; E705-R1069 IonicContact OE1-CZ 3.12Å; E705-R1069 IonicContact OE1-NH1 2.71Å; E705-R1069 PolarHBondContact OE1-NH1 3.42Å; E705-R1069 IonicContact OE1-NH2 3.63Å; E705-R1069 PolarHBondContact OE1-NH2 2.81Å
706L87.9Confident80.3Confident0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-55.8-51.2175.5-177.1159.9000111.5I672 I685 L694 F700 S702 L703 V704 N708 Y709 F710I672-L706 HydrophobicContact CD1-CD2 4.35Å; I685-L706 HydrophobicContact CD1-CD1 3.84Å; I685-L706 HydrophobicContact CG1-CD1 4.18Å; L694-L706 HydrophobicContact CB-CD1 4.12Å; L694-L706 HydrophobicContact CD2-CD1 4.4Å; F700-L706 HydrophobicContact CB-CB 4.19Å; F700-L706 HydrophobicContact CD1-CB 3.94Å; F700-L706 HydrophobicContact CD1-CG 4.48Å; F700-L706 HydrophobicContact CD2-CB 3.96Å; F700-L706 HydrophobicContact CD2-CD1 3.65Å; F700-L706 HydrophobicContact CD2-CG 3.86Å; F700-L706 HydrophobicContact CE1-CB 4.28Å; F700-L706 HydrophobicContact CE1-CG 4.45Å; F700-L706 HydrophobicContact CE2-CB 4.28Å; F700-L706 HydrophobicContact CE2-CD1 3.83Å; F700-L706 HydrophobicContact CE2-CG 3.81Å; F700-L706 HydrophobicContact CG-CB 3.76Å; F700-L706 HydrophobicContact CG-CD1 4.28Å; F700-L706 HydrophobicContact CG-CG 4.19Å; F700-L706 HydrophobicContact CZ-CB 4.44Å; F700-L706 HydrophobicContact CZ-CG 4.12Å; S702-L706 PolarHBondContact O-N 3.24Å; L703-L706 WeakPolarHBondContact O-CB 3.41Å; L703-L706 PolarHBondContact O-N 3.29Å; V704-L706 VanDerWaalsContact C-N 3.31Å; V704-L706 PolarHBondContact O-N 3.24Å; L706-N708 PolarHBondContact O-N 3.11Å; L706-Y709 WeakPolarHBondContact O-CB 3.47Å; L706-Y709 PolarHBondContact O-N 2.9Å; L706-F710 HydrophobicContact CD2-CD2 3.85Å; L706-F710 HydrophobicContact CD2-CE2 4.21Å; L706-F710 HydrophobicContact CG-CD2 4.09Å; L706-F710 HydrophobicContact CG-CE2 4.08Å; L706-F710 VanDerWaalsContact O-CD2 3.26Å; L706-F710 WeakPolarHBondContact O-CD2 3.35Å; L706-F710 PolarHBondContact O-N 3.14Å
707V85.8Confident81Confident1 Ų154.3 Ų54.31%0.00626%0.255CS..Hα-helixtrans-63.4-43.7179.2169.70000111.1W635 F658 I660 L703 V704 E705 Y709 F710 K711 L721W635-V707 HydrophobicContact CD2-CG2 4.4Å; W635-V707 HydrophobicContact CE3-CG2 4.31Å; W635-V707 HydrophobicContact CH2-CG2 3.79Å; W635-V707 HydrophobicContact CZ2-CB 4.17Å; W635-V707 HydrophobicContact CZ2-CG1 4.44Å; W635-V707 HydrophobicContact CZ2-CG2 3.85Å; W635-V707 HydrophobicContact CZ3-CG2 4.05Å; F658-V707 HydrophobicContact CE2-CG1 3.72Å; F658-V707 HydrophobicContact CE2-CG2 3.96Å; F658-V707 HydrophobicContact CZ-CG1 3.62Å; I660-V707 HydrophobicContact CD1-CG2 3.49Å; I660-V707 VanDerWaalsContact CD1-CG2 3.49Å; L703-V707 WeakPolarHBondContact O-CG2 3.32Å; L703-V707 PolarHBondContact O-N 3.05Å; V704-V707 PolarHBondContact O-N 3.16Å; E705-V707 PolarHBondContact O-N 2.8Å; V707-Y709 VanDerWaalsContact C-N 3.3Å; V707-Y709 PolarHBondContact O-N 2.85Å; V707-F710 CarbonylContact O-C 3.12Å; V707-F710 PolarHBondContact O-N 3.04Å; V707-K711 HydrophobicContact CG1-CD 4.19Å; V707-K711 HydrophobicContact CG1-CG 4.35Å; V707-K711 WeakPolarHBondContact O-CG 3.5Å; V707-K711 PolarHBondContact O-N 3.36Å; V707-L721 HydrophobicContact CG1-CD1 4.46Å; V707-L721 HydrophobicContact CG2-CD1 4.42Å
708N83.6Confident81.4Confident78 Ų7861.2 Ų61.242%0.41728%0.283SS..Hα-helixtrans-65.3-34179.1-73.2-25.2000112.7V704 E705 L706V704-N708 WeakPolarHBondContact O-CB 3.37Å; V704-N708 VanDerWaalsContact O-CG 3.28Å; V704-N708 PolarHBondContact O-N 3.16Å; V704-N708 PolarHBondContact O-ND2 3.2Å; E705-N708 PolarHBondContact O-N 3.21Å; L706-N708 PolarHBondContact O-N 3.11Å
709Y82.6Confident81.5Confident52 Ų5262 Ų6220%0.20429%0.287CS..Hα-helixtrans-62.7-51172.3-179-94.8000110.9F700 E705 L706 V707 K711 K712 K713 R1069F700-Y709 AromaticContact CE1-CD1 3.96Å; F700-Y709 HydrophobicContact CE1-CD1 3.96Å; F700-Y709 AromaticContact CE1-CG 3.89Å; F700-Y709 HydrophobicContact CE1-CG 3.89Å; F700-Y709 HydrophobicContact CZ-CD1 4.06Å; F700-Y709 HydrophobicContact CZ-CG 4.46Å; E705-Y709 WeakPolarHBondContact O-CB 3.2Å; E705-Y709 PolarHBondContact O-N 3.07Å; L706-Y709 WeakPolarHBondContact O-CB 3.47Å; L706-Y709 PolarHBondContact O-N 2.9Å; V707-Y709 VanDerWaalsContact C-N 3.3Å; V707-Y709 PolarHBondContact O-N 2.85Å; Y709-K711 VanDerWaalsContact C-N 3.34Å; Y709-K711 PolarHBondContact O-N 2.83Å; Y709-K712 PolarHBondContact O-N 2.81Å; Y709-K712 VanDerWaalsContact O-N 3.12Å; Y709-K713 HydrophobicContact CD1-CB 4.44Å; Y709-K713 HydrophobicContact CE1-CB 4.05Å; Y709-K713 HydrophobicContact CE1-CG 4.24Å; Y709-K713 HydrophobicContact CE2-CG 4.15Å; Y709-K713 PolarHBondContact O-N 2.81Å; Y709-R1069 HydrophobicContact CE2-CG 4.24Å
710F83.8Confident81.7Confident14 Ų1459.8 Ų59.86%0.06128%0.275CS..Hα-helixtrans-81.5-5.5-178.2-68.4-65.8000115.4L694 F700 L706 V707 K712 K713 L715 L721L694-F710 HydrophobicContact CD2-CD2 4.44Å; L694-F710 HydrophobicContact CD2-CE2 3.39Å; L694-F710 HydrophobicContact CD2-CZ 3.64Å; F700-F710 HydrophobicContact CE2-CE2 4.07Å; F700-F710 HydrophobicContact CZ-CD2 4.45Å; F700-F710 AromaticContact CZ-CE2 3.6Å; F700-F710 HydrophobicContact CZ-CE2 3.6Å; F700-F710 HydrophobicContact CZ-CZ 4.09Å; L706-F710 HydrophobicContact CD2-CD2 3.85Å; L706-F710 HydrophobicContact CD2-CE2 4.21Å; L706-F710 HydrophobicContact CG-CD2 4.09Å; L706-F710 HydrophobicContact CG-CE2 4.08Å; L706-F710 VanDerWaalsContact O-CD2 3.26Å; L706-F710 WeakPolarHBondContact O-CD2 3.35Å; L706-F710 PolarHBondContact O-N 3.14Å; V707-F710 CarbonylContact O-C 3.12Å; V707-F710 PolarHBondContact O-N 3.04Å; F710-K712 VanDerWaalsContact C-N 3.33Å; F710-K713 CarbonylContact C-O 3.55Å; F710-K713 VanDerWaalsContact C-O 3.23Å; F710-K713 WeakPolarHBondContact CA-O 3.25Å; F710-L715 HydrophobicContact CB-CB 4.21Å; F710-L715 HydrophobicContact CD1-CB 3.69Å; F710-L715 HydrophobicContact CD1-CD1 3.81Å; F710-L715 HydrophobicContact CD1-CG 4.35Å; F710-L715 HydrophobicContact CD2-CD1 4.03Å; F710-L715 HydrophobicContact CE1-CB 4.23Å; F710-L715 HydrophobicContact CE1-CD1 3.62Å; F710-L715 HydrophobicContact CE2-CD1 3.87Å; F710-L715 HydrophobicContact CG-CB 4.01Å; F710-L715 HydrophobicContact CG-CD1 4.01Å; F710-L715 HydrophobicContact CZ-CD1 3.65Å; F710-L721 HydrophobicContact CB-CD1 3.58Å; F710-L721 HydrophobicContact CB-CG 3.73Å; F710-L721 PolarHBondContact O-N 3.03Å
711K82.2Confident81.7Confident84 Ų8459.7 Ų59.737%0.36528%0.275SS..Hα-helixtrans-68.7-35.8160.9-81.8174.6174.7177.50111.3V707 Y709 K720 L721V707-K711 HydrophobicContact CG1-CD 4.19Å; V707-K711 HydrophobicContact CG1-CG 4.35Å; V707-K711 WeakPolarHBondContact O-CG 3.5Å; V707-K711 PolarHBondContact O-N 3.36Å; Y709-K711 VanDerWaalsContact C-N 3.34Å; Y709-K711 PolarHBondContact O-N 2.83Å; K711-K720 WeakPolarHBondContact O-CD 3.37Å; K711-L721 WeakPolarHBondContact CA-O 3.49Å; K711-L721 HydrophobicContact CG-CB 4.38Å; K711-L721 VanDerWaalsContact CG-O 3.3Å; K711-L721 WeakPolarHBondContact CG-O 3.49Å
712K77.4Confident81.7Confident164 Ų16458.5 Ų58.571%0.71326%0.263SS*.Hα-helixtrans-91.2-39.9-178.8-63.4-177-179.4-175.20112.5Y709 F710 K720Y709-K712 PolarHBondContact O-N 2.81Å; Y709-K712 VanDerWaalsContact O-N 3.12Å; F710-K712 VanDerWaalsContact C-N 3.33Å; K712-K720 VanDerWaalsContact O-CE 3.23Å; K712-K720 WeakPolarHBondContact O-CE 3.37Å; K712-K720 PolarHBondContact O-NZ 3.01Å
713K77.1Confident81.5Confident117 Ų11760.2 Ų60.251%0.50927%0.266SS..SBendtrans-105.9144.5-179.5-63.9-66.4-174.1177.10110.7Y709 F710Y709-K713 HydrophobicContact CD1-CB 4.44Å; Y709-K713 HydrophobicContact CE1-CB 4.05Å; Y709-K713 HydrophobicContact CE1-CG 4.24Å; Y709-K713 HydrophobicContact CE2-CG 4.15Å; Y709-K713 PolarHBondContact O-N 2.81Å; F710-K713 CarbonylContact C-O 3.55Å; F710-K713 VanDerWaalsContact C-O 3.23Å; F710-K713 WeakPolarHBondContact CA-O 3.25Å
714P80.1Confident81.5Confident59 Ų5962.6 Ų62.638%0.38328%0.282SS..  trans-64139.5176.527.5-33.2000110.9R717 I719 K720P714-R717 WeakPolarHBondContact CB-O 3.23Å; P714-I719 CarbonylContact C-O 3.58Å; P714-I719 VanDerWaalsContact CA-O 3.31Å; P714-I719 WeakPolarHBondContact CA-O 3.14Å; P714-K720 HydrophobicContact CB-CG 4.42Å
715L81.8Confident81.5Confident15 Ų1561.4 Ų61.48%0.07928%0.275CS..SBendtrans-87.7-39.1172.1175.362.4000110.9I672 F674 L694 F710 I719 L721 F1131I672-L715 HydrophobicContact CD1-CD2 3.89Å; F674-L715 HydrophobicContact CD1-CD2 3.75Å; F674-L715 HydrophobicContact CE1-CD2 3.65Å; F674-L715 HydrophobicContact CE1-CG 4.31Å; F674-L715 HydrophobicContact CG-CD2 4.37Å; F674-L715 HydrophobicContact CZ-CD2 4.2Å; F674-L715 HydrophobicContact CZ-CG 4.47Å; L694-L715 HydrophobicContact CD2-CD1 3.98Å; F710-L715 HydrophobicContact CB-CB 4.21Å; F710-L715 HydrophobicContact CD1-CB 3.69Å; F710-L715 HydrophobicContact CD1-CD1 3.81Å; F710-L715 HydrophobicContact CD1-CG 4.35Å; F710-L715 HydrophobicContact CD2-CD1 4.03Å; F710-L715 HydrophobicContact CE1-CB 4.23Å; F710-L715 HydrophobicContact CE1-CD1 3.62Å; F710-L715 HydrophobicContact CE2-CD1 3.87Å; F710-L715 HydrophobicContact CG-CB 4.01Å; F710-L715 HydrophobicContact CG-CD1 4.01Å; F710-L715 HydrophobicContact CZ-CD1 3.65Å; L715-I719 PolarHBondContact N-O 3.06Å; L715-L721 HydrophobicContact CD2-CD2 3.83Å; L715-L721 HydrophobicContact CD2-CG 4.49Å; L715-F1131 HydrophobicContact CD1-CZ 4.49Å; L715-F1131 HydrophobicContact CG-CZ 4.23Å; L715-F1131 VanDerWaalsContact O-CE2 3.28Å; L715-F1131 WeakPolarHBondContact O-CE2 3.42Å
716Y77.6Confident81.3Confident7 Ų760 Ų603%0.02727%0.27CS..BIsolated β-bridgetrans-139.8118.9-176168.7-101.7000109F674 D677 K681 K718 I719 F1131 D1133F674-Y716 HydrophobicContact CE2-CD1 4.1Å; F674-Y716 HydrophobicContact CE2-CG 4.02Å; F674-Y716 HydrophobicContact CZ-CG 4.05Å; D677-Y716 WeakPolarHBondContact OD2-CE1 3.17Å; D677-Y716 PolarHBondContact OD2-OH 2.85Å; K681-Y716 HydrophobicContact CD-CD1 4.19Å; K681-Y716 HydrophobicContact CD-CD2 4.06Å; K681-Y716 HydrophobicContact CD-CE1 4.08Å; K681-Y716 HydrophobicContact CD-CE2 3.94Å; K681-Y716 HydrophobicContact CD-CG 4.18Å; K681-Y716 VanDerWaalsContact CE-OH 3.28Å; K681-Y716 WeakPolarHBondContact CE-OH 3.21Å; K681-Y716 PolarHBondContact NZ-OH 3.15Å; Y716-K718 PolarHBondContact O-N 3.05Å; Y716-I719 HydrophobicContact CD1-CD1 3.89Å; Y716-I719 HydrophobicContact CE1-CD1 4.23Å; Y716-I719 PolarHBondContact N-O 3.44Å; Y716-I719 WeakPolarHBondContact O-CA 3.24Å; Y716-I719 WeakPolarHBondContact O-CB 3.47Å; Y716-I719 PolarHBondContact O-N 3.34Å; Y716-F1131 HydrophobicContact CD2-CB 4.09Å; Y716-F1131 HydrophobicContact CD2-CD1 4.06Å; Y716-F1131 AromaticContact CD2-CD2 3.76Å; Y716-F1131 HydrophobicContact CD2-CD2 3.76Å; Y716-F1131 HydrophobicContact CD2-CE1 4.38Å; Y716-F1131 HydrophobicContact CD2-CE2 4.15Å; Y716-F1131 AromaticContact CD2-CG 3.7Å; Y716-F1131 HydrophobicContact CD2-CG 3.7Å; Y716-F1131 HydrophobicContact CD2-CZ 4.42Å; Y716-F1131 HydrophobicContact CE2-CB 4.19Å; Y716-F1131 HydrophobicContact CE2-CG 4.26Å; Y716-D1133 WeakPolarHBondContact CE2-OD2 3.36Å
717R78.3Confident80.6Confident132 Ų13262.8 Ų62.850%0.49829%0.288SS..THydrogen-bonded Turntrans51-117.8-174.6-58.6-179.4176.6-176.4-10.1111.9D677 P714 D1133D677-R717 IonicContact OD2-CZ 3.4Å; D677-R717 IonicContact OD2-NE 3.43Å; D677-R717 IonicContact OD2-NH1 2.92Å; D677-R717 PolarHBondContact OD2-NH1 3.33Å; P714-R717 WeakPolarHBondContact CB-O 3.23Å; R717-D1133 IonicContact CZ-OD2 2.59Å; R717-D1133 IonicContact NE-OD2 3.91Å; R717-D1133 PolarHBondContact NE-OD2 3.47Å; R717-D1133 IonicContact NH2-OD1 3.36Å; R717-D1133 PolarHBondContact NH2-OD1 3.26Å; R717-D1133 VanDerWaalsContact NH2-OD1 3.15Å; R717-D1133 IonicContact NH2-OD2 3.85Å; R717-D1133 PolarHBondContact NH2-OD2 3.19Å
718K73.6Confident80Confident168 Ų16867.7 Ų67.773%0.7331%0.311SS*.THydrogen-bonded Turntrans-94.5-0.9175.6-64.2-177.1-179.7177.80112.9Y716 E986Y716-K718 PolarHBondContact O-N 3.05Å; K718-E986 IonicContact NZ-OE2 3.46Å
719I77.3Confident79.3Confident25 Ų2565.9 Ų65.913%0.12830%0.301CS..BIsolated β-bridgetrans-87.2123.7-171.8-62.1159.2000110.9D655 P714 L715 Y716D655-I719 HydrophobicContact CB-CD1 4.44Å; P714-I719 CarbonylContact C-O 3.58Å; P714-I719 VanDerWaalsContact CA-O 3.31Å; P714-I719 WeakPolarHBondContact CA-O 3.14Å; L715-I719 PolarHBondContact N-O 3.06Å; Y716-I719 HydrophobicContact CD1-CD1 3.89Å; Y716-I719 HydrophobicContact CE1-CD1 4.23Å; Y716-I719 PolarHBondContact N-O 3.44Å; Y716-I719 WeakPolarHBondContact O-CA 3.24Å; Y716-I719 WeakPolarHBondContact O-CB 3.47Å; Y716-I719 PolarHBondContact O-N 3.34Å
720K84.7Confident78.9Confident74 Ų7463.7 Ų63.732%0.32229%0.293SS..  trans-97.6159.4172.4-56.8-177-172.9-175.30110.1G656 K711 K712 P714 R722G656-K720 VanDerWaalsContact CA-O 3.29Å; G656-K720 WeakPolarHBondContact CA-O 3.44Å; K711-K720 WeakPolarHBondContact O-CD 3.37Å; K712-K720 VanDerWaalsContact O-CE 3.23Å; K712-K720 WeakPolarHBondContact O-CE 3.37Å; K712-K720 PolarHBondContact O-NZ 3.01Å; P714-K720 HydrophobicContact CB-CG 4.42Å; K720-R722 HydrophobicContact CB-CG 4.45Å; K720-R722 PolarHBondContact O-N 3.34Å
721L83.1Confident78.2Confident3 Ų369.6 Ų69.62%0.01632%0.321CS..  trans-71.8111.7169-58.4-176.8000108.6F658 I672 F674 V707 F710 K711 L715F658-L721 HydrophobicContact CB-CD2 3.69Å; F658-L721 HydrophobicContact CD1-CB 3.72Å; F658-L721 HydrophobicContact CD1-CD2 4.19Å; F658-L721 HydrophobicContact CD1-CG 4.42Å; F658-L721 HydrophobicContact CD2-CB 4.45Å; F658-L721 HydrophobicContact CD2-CD1 4.06Å; F658-L721 HydrophobicContact CD2-CD2 4.19Å; F658-L721 HydrophobicContact CD2-CG 4.47Å; F658-L721 HydrophobicContact CE1-CB 3.81Å; F658-L721 HydrophobicContact CE2-CD1 4.19Å; F658-L721 HydrophobicContact CG-CB 4.07Å; F658-L721 HydrophobicContact CG-CD1 4.36Å; F658-L721 HydrophobicContact CG-CD2 3.76Å; F658-L721 HydrophobicContact CG-CG 4.27Å; F658-L721 HydrophobicContact CZ-CB 4.23Å; I672-L721 HydrophobicContact CD1-CD1 3.57Å; I672-L721 HydrophobicContact CD1-CD2 3.9Å; I672-L721 HydrophobicContact CD1-CG 4.38Å; F674-L721 HydrophobicContact CB-CD2 4.35Å; V707-L721 HydrophobicContact CG1-CD1 4.46Å; V707-L721 HydrophobicContact CG2-CD1 4.42Å; F710-L721 HydrophobicContact CB-CD1 3.58Å; F710-L721 HydrophobicContact CB-CG 3.73Å; F710-L721 PolarHBondContact O-N 3.03Å; K711-L721 WeakPolarHBondContact CA-O 3.49Å; K711-L721 HydrophobicContact CG-CB 4.38Å; K711-L721 VanDerWaalsContact CG-O 3.3Å; K711-L721 WeakPolarHBondContact CG-O 3.49Å; L715-L721 HydrophobicContact CD2-CD2 3.83Å; L715-L721 HydrophobicContact CD2-CG 4.49Å
722R78.9Confident77.5Confident132 Ų13270.7 Ų70.750%0.49832%0.323SS..  trans-116.2-53.5-176-68.7-168.2-174-1547.3112.2G656 K720 P724G656-R722 PolarHBondContact O-N 2.91Å; K720-R722 HydrophobicContact CB-CG 4.45Å; K720-R722 PolarHBondContact O-N 3.34Å; R722-P724 VanDerWaalsContact O-CD 3.23Å; R722-P724 WeakPolarHBondContact O-CD 3.42Å
723Y79.8Confident76.8Confident60 Ų6065 Ų6524%0.23530%0.298CS..EExtended strand (participates in β ladder)trans-107.1101.4-168.6-47.1-77.9000110.7R654 D655 G656 A657 F658 V725R654-Y723 HydrophobicContact CB-CD2 4.02Å; R654-Y723 HydrophobicContact CB-CE2 3.86Å; D655-Y723 WeakPolarHBondContact O-CE2 3.18Å; G656-Y723 PolarHBondContact O-N 3.46Å; A657-Y723 CarbonylContact C-O 3.47Å; A657-Y723 VanDerWaalsContact CA-O 3.28Å; A657-Y723 WeakPolarHBondContact CA-O 3.38Å; F658-Y723 WeakPolarHBondContact CD1-O 3.27Å; F658-Y723 PolarHBondContact N-O 3.21Å; Y723-V725 PolarHBondContact O-N 2.9Å
724P85.2Confident75.7Confident50 Ų5062.5 Ų62.533%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-65.3118.3173.626.8-32.5000109.2W635 F658 R722 T726W635-P724 HydrophobicContact CB-CB 3.77Å; W635-P724 HydrophobicContact CG-CB 4.33Å; F658-P724 HydrophobicContact CE1-CB 4.15Å; F658-P724 HydrophobicContact CZ-CB 4.17Å; R722-P724 VanDerWaalsContact O-CD 3.23Å; R722-P724 WeakPolarHBondContact O-CD 3.42Å; P724-T726 PolarHBondContact O-N 3.16Å
725V84.9Confident74.1Confident0 Ų063.6 Ų63.60%031%0.31CS..  trans-74.4114.9175.9-179.60000108Y637 L649 I652 A657 F658 L659 Y723 V730Y637-V725 PolarHBondContact OH-O 2.93Å; Y637-V725 VanDerWaalsContact OH-O 3.05Å; L649-V725 HydrophobicContact CD2-CG2 3.54Å; L649-V725 HydrophobicContact CG-CG2 4.09Å; I652-V725 HydrophobicContact CD1-CB 4.04Å; I652-V725 HydrophobicContact CD1-CG1 3.64Å; I652-V725 HydrophobicContact CD1-CG2 3.46Å; I652-V725 VanDerWaalsContact CD1-CG2 3.46Å; A657-V725 HydrophobicContact CB-CG2 4.12Å; F658-V725 PolarHBondContact O-N 3.49Å; L659-V725 HydrophobicContact CB-CB 4.28Å; L659-V725 HydrophobicContact CD2-CB 4.11Å; L659-V725 HydrophobicContact CD2-CG1 4.14Å; Y723-V725 PolarHBondContact O-N 2.9Å; V725-V730 HydrophobicContact CG1-CG2 3.61Å
726T82.2Confident72.1Confident24 Ų2466.9 Ų66.915%0.14733%0.327CS..  trans-113.3153.6179.157.40000109.9R634 P724 E728 L729 V730R634-T726 HydrophobicContact CB-CG2 3.59Å; P724-T726 PolarHBondContact O-N 3.16Å; T726-E728 WeakPolarHBondContact CB-OE2 3.41Å; T726-E728 PolarHBondContact O-N 2.81Å; T726-L729 WeakPolarHBondContact O-CB 3.33Å; T726-L729 PolarHBondContact O-N 3.12Å; T726-L729 VanDerWaalsContact O-N 3.1Å; T726-L729 WeakPolarHBondContact OG1-CB 3.5Å; T726-V730 WeakPolarHBondContact O-CG2 3.3Å; T726-V730 PolarHBondContact O-N 3.04Å; T726-V730 VanDerWaalsContact O-N 3.13Å
727P73.3Confident70.4Confident59 Ų5975.4 Ų75.438%0.38337%0.367SS..Hα-helixtrans-54-39.6178.4-25.635.2000113.4Y637 L729 V730 E731Y637-P727 HydrophobicContact CE1-CG 4.1Å; Y637-P727 WeakPolarHBondContact OH-CD 3.43Å; P727-L729 VanDerWaalsContact C-N 3.33Å; P727-L729 PolarHBondContact O-N 3.34Å; P727-V730 PolarHBondContact O-N 2.92Å; P727-E731 PolarHBondContact O-N 3.38Å
728E72.3Confident68.4Low105 Ų10576.4 Ų76.449%0.49138%0.382SS..Hα-helixtrans-66.4-35.9179.5-55.789.9163.800112.3T726 E731 R732T726-E728 WeakPolarHBondContact CB-OE2 3.41Å; T726-E728 PolarHBondContact O-N 2.81Å; E728-E731 PolarHBondContact O-N 2.7Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.98Å
729L69.5Low66.5Low39 Ų3970.5 Ų70.520%0.20436%0.362CS..Hα-helixtrans-66.5-43.2176.4-170.467.3000110.7I652 T726 P727 R732 F733I652-L729 HydrophobicContact CD1-CD2 3.74Å; I652-L729 HydrophobicContact CD1-CG 4.25Å; I652-L729 HydrophobicContact CG1-CD2 4.47Å; T726-L729 WeakPolarHBondContact O-CB 3.33Å; T726-L729 PolarHBondContact O-N 3.12Å; T726-L729 VanDerWaalsContact O-N 3.1Å; T726-L729 WeakPolarHBondContact OG1-CB 3.5Å; P727-L729 VanDerWaalsContact C-N 3.33Å; P727-L729 PolarHBondContact O-N 3.34Å; L729-R732 PolarHBondContact O-N 3.25Å; L729-F733 HydrophobicContact CD1-CD2 4.07Å; L729-F733 HydrophobicContact CD1-CE2 3.73Å; L729-F733 HydrophobicContact CG-CD2 4.14Å; L729-F733 HydrophobicContact CG-CE2 4.18Å; L729-F733 WeakPolarHBondContact O-CD2 3.37Å; L729-F733 PolarHBondContact O-N 2.96Å; L729-F733 VanDerWaalsContact O-N 3.12Å
730V73.8Confident64.4Low7 Ų773.2 Ų73.24%0.04238%0.383CS..Hα-helixtrans-62.7-43.5177.4178.10000110.6Y648 V725 T726 P727 F733 S734Y648-V730 HydrophobicContact CD1-CG1 3.75Å; Y648-V730 HydrophobicContact CD1-CG2 4.38Å; Y648-V730 HydrophobicContact CD2-CG1 4.43Å; Y648-V730 HydrophobicContact CD2-CG2 3.79Å; Y648-V730 HydrophobicContact CE1-CG1 3.93Å; Y648-V730 HydrophobicContact CE2-CG2 4.38Å; Y648-V730 HydrophobicContact CG-CG1 4.01Å; Y648-V730 HydrophobicContact CG-CG2 3.78Å; V725-V730 HydrophobicContact CG1-CG2 3.61Å; T726-V730 WeakPolarHBondContact O-CG2 3.3Å; T726-V730 PolarHBondContact O-N 3.04Å; T726-V730 VanDerWaalsContact O-N 3.13Å; P727-V730 PolarHBondContact O-N 2.92Å; V730-F733 PolarHBondContact O-N 3.02Å; V730-S734 WeakPolarHBondContact O-CB 3.4Å; V730-S734 PolarHBondContact O-N 2.94Å; V730-S734 PolarHBondContact O-OG 2.97Å
731E70.2Confident62.2Low137 Ų13773.9 Ų73.964%0.6440%0.397SS*.Hα-helixtrans-62.1-42.5175.9-75-179-179.700112.4P727 E728 F733 S734 A735P727-E731 PolarHBondContact O-N 3.38Å; E728-E731 PolarHBondContact O-N 2.7Å; E731-F733 PolarHBondContact O-N 3.19Å; E731-S734 CarbonylContact O-C 3.59Å; E731-S734 WeakPolarHBondContact O-CA 3.36Å; E731-S734 WeakPolarHBondContact O-CB 3.46Å; E731-S734 PolarHBondContact O-N 3.41Å; E731-A735 WeakPolarHBondContact O-CB 3.48Å; E731-A735 PolarHBondContact O-N 3.46Å
732R66.2Low60Low107 Ų10777.7 Ų77.740%0.40442%0.417SS..Hα-helixtrans-61.4-41.7178-174.4175.6175-164.1-9.6112.8E728 L729 S734E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.98Å; L729-R732 PolarHBondContact O-N 3.25Å; R732-S734 VanDerWaalsContact C-N 3.28Å
733F62.9Low58.1Low44 Ų4475.7 Ų75.719%0.19341%0.41CS..Hα-helixtrans-77.9-12.6174.8-79.8-79.8000113.4V480 I652 L729 V730 E731V480-F733 HydrophobicContact CG1-CE2 4.39Å; V480-F733 HydrophobicContact CG1-CZ 3.83Å; V480-F733 HydrophobicContact CG2-CZ 4.13Å; I652-F733 HydrophobicContact CG1-CD2 4.45Å; L729-F733 HydrophobicContact CD1-CD2 4.07Å; L729-F733 HydrophobicContact CD1-CE2 3.73Å; L729-F733 HydrophobicContact CG-CD2 4.14Å; L729-F733 HydrophobicContact CG-CE2 4.18Å; L729-F733 WeakPolarHBondContact O-CD2 3.37Å; L729-F733 PolarHBondContact O-N 2.96Å; L729-F733 VanDerWaalsContact O-N 3.12Å; V730-F733 PolarHBondContact O-N 3.02Å; E731-F733 PolarHBondContact O-N 3.19Å
734S54.3Low55.8Low65 Ų6577.7 Ų77.746%0.45542%0.422SS..Hα-helixtrans-89.6-22.4173.8-55.10000113.2R651 V730 E731 R732R651-S734 PolarHBondContact NH1-OG 3.26Å; V730-S734 WeakPolarHBondContact O-CB 3.4Å; V730-S734 PolarHBondContact O-N 2.94Å; V730-S734 PolarHBondContact O-OG 2.97Å; E731-S734 CarbonylContact O-C 3.59Å; E731-S734 WeakPolarHBondContact O-CA 3.36Å; E731-S734 WeakPolarHBondContact O-CB 3.46Å; E731-S734 PolarHBondContact O-N 3.41Å; R732-S734 VanDerWaalsContact C-N 3.28Å
735A45.5Very low53.2Low83 Ų8383.5 Ų83.569%0.68645%0.445SS*.Hα-helixtrans-97.4-16.4-175.700000114.9E731E731-A735 WeakPolarHBondContact O-CB 3.48Å; E731-A735 PolarHBondContact O-N 3.46Å
736N41Very low50.7Low83 Ų8388.4 Ų88.444%0.44448%0.475SS..  trans-100.1100.2-179.6-91-14.1000111.6N738 C739N736-N738 PolarHBondContact O-N 2.89Å; N736-C739 HydrophobicContact CB-CB 4.21Å
737E41Very low48.2Very low187 Ų18796.3 Ų96.387%0.87450%0.504SS*.THydrogen-bonded Turntrans-66.9-13.3166.1-72.3-167.4145.100113
738N37.3Very low46.1Very low152 Ų15299.4 Ų99.481%0.81352%0.521SS*.THydrogen-bonded Turntrans-1036.5-172.3-82.5-12.3000116.1N736N736-N738 PolarHBondContact O-N 2.89Å
739C34Very low44Very low44 Ų44101.8 Ų101.830%0.29753%0.53SS..SBendtrans-104.31.3178.3-153.50000113.4N736N736-C739 HydrophobicContact CB-CB 4.21Å
740S32.9Very low42.2Very low82 Ų82105.4 Ų105.457%0.57356%0.556SS**SBendtrans-98.6-2.1-167.8-51.40000114.9
741S38.1Very low40.3Very low88 Ų88112.7 Ų112.762%0.61559%0.594SS**SBendtrans-97.8-7.6-173.261.90000115.7
742I36.4Very low38.4Very low84 Ų84112 Ų11243%0.43160%0.595SS.*SBendtrans-88.7-13.9-179.7-57.6179.3000112
743Y40Very low37Very low90 Ų90114.3 Ų114.335%0.35361%0.614SS.*SBendtrans-143.540.1-173.7-61.9-70.8000115.3
744M30.1Very low35.5Very low101 Ų101114.7 Ų114.750%0.49863%0.63SS.*  trans-157.3109.9161.2-99.7-159.6-176.800112Y747M744-Y747 HydrophobicContact CE-CD2 4.01Å
745E30.9Very low34.3Very low172 Ų172117.8 Ų117.880%0.80465%0.649SS**SBendtrans-116.843.1147.9-130.1-158.9-153.700109.9
746T32.8Very low33.6Very low103 Ų103118.9 Ų118.963%0.63265%0.652SS**SBendtrans-154.487.2168.1-300000107.1
747Y30.3Very low33.1Very low191 Ų191124 Ų12475%0.74967%0.673SS**  trans160.2119.2148.3-86.1-67000108.9M744M744-Y747 HydrophobicContact CE-CD2 4.01Å
748V28.9Very low33.2Very low123 Ų123117.9 Ų117.975%0.74565%0.649SS**  trans-71.4135.1173.8176.30000108.8
749K28Very low33.9Very low155 Ų155117.1 Ų117.167%0.67464%0.641SS**  trans-65.2137.1176.7-68.1179.5-178.9176.40110.1N751 D752K749-N751 PolarHBondContact O-N 3.2Å; K749-D752 PolarHBondContact O-N 2.94Å
750P31Very low35.3Very low116 Ų116117.5 Ų117.575%0.75364%0.64SS**THydrogen-bonded Turntrans-62.50.8-176.3-24.934.1000117.6
751N33.6Very low37.5Very low159 Ų159115.6 Ų115.685%0.8563%0.625SS**THydrogen-bonded Turntrans-110.93.1179.6-91.70.3000114.9K749K749-N751 PolarHBondContact O-N 3.2Å
752D32.1Very low39.5Very low122 Ų122111.5 Ų111.565%0.65260%0.596SS**  trans-100.736.7171.3-68.8-37.7000112.2K749 G754K749-D752 PolarHBondContact O-N 2.94Å; D752-G754 PolarHBondContact O-N 2.89Å
753I35.6Very low41.8Very low157 Ų157113.4 Ų113.481%0.80560%0.598SS**  trans-79.768.8166.6-50.7177.7000108.4
754G30.9Very low43.9Very low52 Ų52109.2 Ų109.254%0.53658%0.582SS.*SBendtrans-90.8147.7148.200000108.1D752 S756D752-G754 PolarHBondContact O-N 2.89Å; G754-S756 PolarHBondContact O-N 3.42Å
755P30.7Very low46.3Very low129 Ų129107 Ų10784%0.83857%0.572SS**  trans-60.7113.9177.625.5-31.3000108.8Q757P755-Q757 PolarHBondContact O-N 3.1Å
756S30Very low48.5Very low107 Ų107105 Ų10575%0.74856%0.558SS**PPolyproline II helixtrans-52.3120.5170.752.30000109.1G754G754-S756 PolarHBondContact O-N 3.42Å
757Q30.4Very low51Low190 Ų190103.7 Ų103.789%0.88855%0.553SS**PPolyproline II helixtrans-62130.3167-76-174.6-1700108.7P755P755-Q757 PolarHBondContact O-N 3.1Å
758P43.3Very low53.6Low58 Ų5895.9 Ų95.938%0.37752%0.522SS..PPolyproline II helixtrans-87.2157.9-167.42.314.7000114.5N760P758-N760 WeakPolarHBondContact CB-OD1 3.26Å; P758-N760 WeakPolarHBondContact CD-OD1 3.34Å; P758-N760 WeakPolarHBondContact CG-OD1 3.46Å; P758-N760 PolarHBondContact O-N 2.6Å; P758-N760 PolarHBondContact O-OD1 3.35Å
759Q52.8Low56.4Low136 Ų13697.7 Ų97.764%0.63652%0.522SS*.  trans-59.9109.5154.5-70.3175.7-16.100108.3T761Q759-T761 PolarHBondContact O-N 3.28Å
760N62.3Low59.1Low52 Ų5291.8 Ų91.828%0.27850%0.503SS..  trans-100.450.2-160.4-86.1-1.1000112.3P758 H785 N786 V787P758-N760 WeakPolarHBondContact CB-OD1 3.26Å; P758-N760 WeakPolarHBondContact CD-OD1 3.34Å; P758-N760 WeakPolarHBondContact CG-OD1 3.46Å; P758-N760 PolarHBondContact O-N 2.6Å; P758-N760 PolarHBondContact O-OD1 3.35Å; N760-H785 CarbonylContact O-C 3.52Å; N760-H785 VanDerWaalsContact O-C 3.24Å; N760-H785 WeakPolarHBondContact O-CA 3.24Å; N760-N786 WeakPolarHBondContact O-CA 3.32Å; N760-N786 PolarHBondContact O-N 3.14Å; N760-V787 PolarHBondContact ND2-O 2.84Å; N760-V787 PolarHBondContact O-N 3.34Å; N760-V787 VanDerWaalsContact O-N 3.11Å; N760-V787 PolarHBondContact OD1-O 3.01Å
761T78.4Confident61.4Low43 Ų4395 Ų9526%0.26451%0.505SS..EExtended strand (participates in β ladder)trans-134.5129.7172.1-60.20000112.2Q759 L783 I784 H785 V815Q759-T761 PolarHBondContact O-N 3.28Å; T761-L783 HydrophobicContact CG2-CB 4.37Å; T761-L783 HydrophobicContact CG2-CD2 4.48Å; T761-I784 CarbonylContact C-O 3.51Å; T761-I784 VanDerWaalsContact CA-O 3.27Å; T761-I784 WeakPolarHBondContact CA-O 3.3Å; T761-H785 VanDerWaalsContact CG2-ND1 3.27Å; T761-H785 WeakPolarHBondContact CG2-ND1 3.39Å; T761-H785 PolarHBondContact OG1-ND1 3.33Å; T761-V815 PolarHBondContact O-N 3Å
762V81.5Confident63.7Low2 Ų295.3 Ų95.31%0.01249%0.494CS..EExtended strand (participates in β ladder)trans-125.2149.8-179.2-560000110.2L783 I784 V787 W795 F807 V812 E813 E814V762-L783 WeakPolarHBondContact O-CA 3.44Å; V762-I784 HydrophobicContact CG2-CB 3.85Å; V762-I784 HydrophobicContact CG2-CD1 4.32Å; V762-I784 HydrophobicContact CG2-CG1 4.46Å; V762-I784 PolarHBondContact N-O 2.66Å; V762-I784 PolarHBondContact O-N 2.96Å; V762-V787 HydrophobicContact CB-CG2 4.34Å; V762-V787 HydrophobicContact CG1-CB 4.29Å; V762-V787 HydrophobicContact CG1-CG1 4.16Å; V762-V787 HydrophobicContact CG1-CG2 3.94Å; V762-V787 HydrophobicContact CG2-CG2 3.69Å; V762-W795 HydrophobicContact CG1-CE3 4.2Å; V762-W795 HydrophobicContact CG1-CZ3 3.85Å; V762-F807 HydrophobicContact CG2-CE2 4.04Å; V762-F807 HydrophobicContact CG2-CZ 3.92Å; V762-V812 HydrophobicContact CB-CB 3.94Å; V762-V812 HydrophobicContact CB-CG2 3.98Å; V762-V812 HydrophobicContact CG1-CG2 4.38Å; V762-V812 HydrophobicContact CG2-CB 3.71Å; V762-V812 HydrophobicContact CG2-CG1 3.88Å; V762-V812 HydrophobicContact CG2-CG2 3.79Å; V762-E813 CarbonylContact C-O 3.6Å; V762-E813 VanDerWaalsContact CA-O 3.29Å; V762-E813 WeakPolarHBondContact CA-O 3.33Å; V762-E813 WeakPolarHBondContact CB-O 3.43Å; V762-E814 HydrophobicContact CG1-CG 3.94Å
763R83.3Confident65.7Low123 Ų12395.3 Ų95.346%0.46450%0.501SS..EExtended strand (participates in β ladder)trans-103.9129.9176.3-177.4170.471.2-176.40.7110.3L765 A782 L783 V812 E813 V815R763-L765 PolarHBondContact O-N 3.3Å; R763-A782 CarbonylContact C-O 3.56Å; R763-A782 WeakPolarHBondContact CA-O 3.26Å; R763-L783 HydrophobicContact CB-CD2 3.92Å; R763-L783 HydrophobicContact CG-CD2 4.2Å; R763-V812 CarbonylContact O-C 3.59Å; R763-V812 WeakPolarHBondContact O-CA 3.36Å; R763-E813 HydrophobicContact CB-CG 4.11Å; R763-E813 IonicContact CZ-OE1 3.23Å; R763-E813 PolarHBondContact N-O 2.93Å; R763-E813 IonicContact NE-OE1 3.02Å; R763-E813 PolarHBondContact NE-OE1 3.39Å; R763-E813 IonicContact NH2-OE1 2.93Å; R763-E813 PolarHBondContact NH2-OE1 3.08Å; R763-E813 PolarHBondContact O-N 3.09Å; R763-V815 HydrophobicContact CB-CG2 3.7Å
764A86.1Confident68Low2 Ų291.1 Ų91.12%0.01748%0.48CS..EExtended strand (participates in β ladder)trans-70.4120.1177.600000112.2F778 G781 A782 V812A764-F778 HydrophobicContact CB-CD2 3.34Å; A764-F778 HydrophobicContact CB-CE2 3.56Å; A764-F778 HydrophobicContact CB-CG 4.41Å; A764-G781 PolarHBondContact O-N 2.81Å; A764-A782 HydrophobicContact CB-CB 4.11Å; A764-A782 PolarHBondContact N-O 2.71Å; A764-V812 HydrophobicContact CB-CG1 4.48Å
765L79.3Confident70.7Confident55 Ų5589.3 Ų89.329%0.28846%0.457SS..SBendtrans-77.9-25.3174.9-70.4176000112.6R763 K780 Y811 E813R763-L765 PolarHBondContact O-N 3.3Å; L765-K780 WeakPolarHBondContact O-CD 3.29Å; L765-K780 WeakPolarHBondContact O-CE 3.49Å; L765-K780 VanDerWaalsContact O-CG 3.23Å; L765-K780 WeakPolarHBondContact O-CG 3.2Å; L765-Y811 PolarHBondContact N-O 2.79Å; L765-E813 HydrophobicContact CD1-CB 4.12Å; L765-E813 HydrophobicContact CD2-CB 4.24Å; L765-E813 HydrophobicContact CD2-CG 3.98Å; L765-E813 WeakPolarHBondContact CD2-OE1 3.42Å; L765-E813 HydrophobicContact CG-CB 4.11Å; L765-E813 HydrophobicContact CG-CG 4.22Å
766Y78.3Confident73.3Confident131 Ų13183.2 Ų83.251%0.51442%0.418SS..SBendtrans-140.1155.3-179-50.7-78.7000110.2Y811Y766-Y811 HydrophobicContact CD2-CD1 4.42Å
767S84.3Confident76Confident75 Ų7580.7 Ų80.752%0.52440%0.4SS..  trans-72.8138.3170.6-570000109.6F778 T779 K780S767-F778 CarbonylContact C-O 3.55Å; S767-F778 WeakPolarHBondContact CA-O 3.42Å; S767-T779 WeakPolarHBondContact OG-CA 3.44Å; S767-K780 PolarHBondContact OG-N 3.31Å
768Y85.8Confident78.7Confident27 Ų2772 Ų7211%0.10636%0.36CS..BIsolated β-bridgetrans-131.3133.7178.2-178.4-101.1000110E775 L776 S777 F778 W794 P808 Y811Y768-E775 HydrophobicContact CE1-CB 4.46Å; Y768-E775 PolarHBondContact OH-OE2 3.17Å; Y768-L776 VanDerWaalsContact CD1-O 3.28Å; Y768-L776 WeakPolarHBondContact CD1-O 3.28Å; Y768-S777 CarbonylContact O-C 3.43Å; Y768-S777 WeakPolarHBondContact O-CA 3.35Å; Y768-F778 AromaticContact CD1-CE1 3.96Å; Y768-F778 HydrophobicContact CD1-CE1 3.96Å; Y768-F778 HydrophobicContact CD1-CZ 4.21Å; Y768-F778 HydrophobicContact CG-CE1 4.33Å; Y768-F778 HydrophobicContact CG-CZ 4.14Å; Y768-F778 PolarHBondContact N-O 3.18Å; Y768-F778 PolarHBondContact O-N 3.15Å; Y768-W794 VanDerWaalsContact OH-CH2 3.25Å; Y768-W794 WeakPolarHBondContact OH-CH2 3.4Å; Y768-W794 WeakPolarHBondContact OH-CZ3 3.32Å; Y768-P808 HydrophobicContact CD2-CG 3.94Å; Y768-P808 HydrophobicContact CE1-CG 4.38Å; Y768-P808 HydrophobicContact CE2-CG 3.58Å; Y768-P808 HydrophobicContact CG-CG 4.48Å; Y768-Y811 HydrophobicContact CD2-CD1 4.12Å; Y768-Y811 HydrophobicContact CD2-CE1 4.11Å; Y768-Y811 HydrophobicContact CG-CD1 4.49Å
769Q86.2Confident80.6Confident160 Ų16073.2 Ų73.275%0.74837%0.366SS*.  trans-115.9123.2178.9-166.2165.64.600108.8K771Q769-K771 PolarHBondContact O-N 3.26Å
770A85.8Confident81.9Confident31 Ų3173.5 Ų73.526%0.25637%0.365SS..  trans-58.7124.7-17700000110.4E775 S777A770-E775 HydrophobicContact CB-CB 3.68Å; A770-E775 WeakPolarHBondContact CB-O 3.18Å; A770-S777 WeakPolarHBondContact CB-OG 3.22Å; A770-S777 PolarHBondContact N-OG 3.39Å
771K79.6Confident82.3Confident184 Ų18473.2 Ų73.280%0.837%0.374SS*.SBendtrans-93.6-18.9174.9-63.7-176.6-179.8178.50111.3Q769 E775Q769-K771 PolarHBondContact O-N 3.26Å; K771-E775 WeakPolarHBondContact CA-OE2 3.38Å; K771-E775 PolarHBondContact N-OE2 3.3Å
772R80.7Confident82.4Confident165 Ų16571.5 Ų71.562%0.62337%0.365SS*.SBendtrans-123.9154.2176-60.5-179171.7172.1-0.2111.4D774 E775R772-D774 WeakPolarHBondContact CB-OD1 3.1Å; R772-D774 PolarHBondContact O-N 3.23Å; R772-E775 HydrophobicContact CB-CG 4Å; R772-E775 WeakPolarHBondContact CD-OE1 3.34Å; R772-E775 WeakPolarHBondContact CG-OE1 3.49Å; R772-E775 PolarHBondContact N-OE2 2.9Å; R772-E775 VanDerWaalsContact N-OE2 3.09Å; R772-E775 WeakPolarHBondContact O-CB 3.26Å; R772-E775 PolarHBondContact O-N 2.91Å; R772-E775 VanDerWaalsContact O-N 3.09Å
773P74.8Confident82.4Confident122 Ų12275 Ų7579%0.79238%0.383SS*.THydrogen-bonded Turntrans-66.6-19.8-176.226-34.3000113.9
774D84Confident82.3Confident70 Ų7069.2 Ų69.237%0.37436%0.361SS..THydrogen-bonded Turntrans-89.82.9175.760.8-34.5000113.6R772 L805 F806R772-D774 WeakPolarHBondContact CB-OD1 3.1Å; R772-D774 PolarHBondContact O-N 3.23Å; D774-L805 WeakPolarHBondContact O-CB 3.43Å; D774-F806 HydrophobicContact CB-CD2 4.5Å; D774-F806 PolarHBondContact O-N 2.89Å
775E87.1Confident81.9Confident13 Ų1373.1 Ų73.16%0.06138%0.379CS..BIsolated β-bridgetrans-99.7147.9178.1-68.7168.1-17000112.5Y768 A770 K771 R772 W794 F806Y768-E775 HydrophobicContact CE1-CB 4.46Å; Y768-E775 PolarHBondContact OH-OE2 3.17Å; A770-E775 HydrophobicContact CB-CB 3.68Å; A770-E775 WeakPolarHBondContact CB-O 3.18Å; K771-E775 WeakPolarHBondContact CA-OE2 3.38Å; K771-E775 PolarHBondContact N-OE2 3.3Å; R772-E775 HydrophobicContact CB-CG 4Å; R772-E775 WeakPolarHBondContact CD-OE1 3.34Å; R772-E775 WeakPolarHBondContact CG-OE1 3.49Å; R772-E775 PolarHBondContact N-OE2 2.9Å; R772-E775 VanDerWaalsContact N-OE2 3.09Å; R772-E775 WeakPolarHBondContact O-CB 3.26Å; R772-E775 PolarHBondContact O-N 2.91Å; R772-E775 VanDerWaalsContact O-N 3.09Å; E775-W794 HydrophobicContact CG-CZ3 4.04Å; E775-F806 CarbonylContact C-O 3.52Å; E775-F806 WeakPolarHBondContact CA-O 3.37Å; E775-F806 HydrophobicContact CG-CB 4.47Å
776L86.4Confident81.7Confident1 Ų175 Ų751%0.00539%0.39CS..PPolyproline II helixtrans-94.1123.9-177.6-16665.8000110.6Y768 F778 I784 G797 R802 L805 F806 F807Y768-L776 VanDerWaalsContact CD1-O 3.28Å; Y768-L776 WeakPolarHBondContact CD1-O 3.28Å; L776-F778 HydrophobicContact CB-CD1 4.47Å; L776-F778 HydrophobicContact CD2-CD1 4.45Å; L776-F778 HydrophobicContact CG-CD1 4.31Å; L776-F778 WeakPolarHBondContact O-CD1 3.43Å; L776-F778 WeakPolarHBondContact O-CE1 3.34Å; L776-I784 HydrophobicContact CD2-CD1 4.34Å; L776-I784 HydrophobicContact CD2-CG1 4.5Å; L776-I784 HydrophobicContact CD2-CG2 3.73Å; L776-G797 WeakPolarHBondContact CD2-O 3.36Å; L776-R802 HydrophobicContact CD1-CB 3.96Å; L776-L805 HydrophobicContact CB-CB 3.85Å; L776-L805 HydrophobicContact CD1-CB 4.05Å; L776-L805 HydrophobicContact CD1-CD1 4.29Å; L776-F806 PolarHBondContact N-O 2.83Å; L776-F807 HydrophobicContact CB-CB 4.39Å; L776-F807 HydrophobicContact CB-CD1 4.34Å; L776-F807 HydrophobicContact CD2-CD1 3.86Å; L776-F807 HydrophobicContact CD2-CE1 4.29Å
777S85.9Confident81.8Confident55 Ų5568.9 Ų68.939%0.38537%0.365SS..PPolyproline II helixtrans-91.9132.8173-590000111.1Y768 A770 Y799Y768-S777 CarbonylContact O-C 3.43Å; Y768-S777 WeakPolarHBondContact O-CA 3.35Å; A770-S777 WeakPolarHBondContact CB-OG 3.22Å; A770-S777 PolarHBondContact N-OG 3.39Å; S777-Y799 WeakPolarHBondContact O-CD1 3.31Å
778F86.6Confident81.5Confident8 Ų867.1 Ų67.14%0.03535%0.353CS..BIsolated β-bridgetrans-150.3159.7178.850.9-92.3000112.1A764 S767 Y768 L776 A782 I784 Y799 F807 V812A764-F778 HydrophobicContact CB-CD2 3.34Å; A764-F778 HydrophobicContact CB-CE2 3.56Å; A764-F778 HydrophobicContact CB-CG 4.41Å; S767-F778 CarbonylContact C-O 3.55Å; S767-F778 WeakPolarHBondContact CA-O 3.42Å; Y768-F778 AromaticContact CD1-CE1 3.96Å; Y768-F778 HydrophobicContact CD1-CE1 3.96Å; Y768-F778 HydrophobicContact CD1-CZ 4.21Å; Y768-F778 HydrophobicContact CG-CE1 4.33Å; Y768-F778 HydrophobicContact CG-CZ 4.14Å; Y768-F778 PolarHBondContact N-O 3.18Å; Y768-F778 PolarHBondContact O-N 3.15Å; L776-F778 HydrophobicContact CB-CD1 4.47Å; L776-F778 HydrophobicContact CD2-CD1 4.45Å; L776-F778 HydrophobicContact CG-CD1 4.31Å; L776-F778 WeakPolarHBondContact O-CD1 3.43Å; L776-F778 WeakPolarHBondContact O-CE1 3.34Å; F778-A782 HydrophobicContact CB-CB 3.92Å; F778-I784 HydrophobicContact CD1-CD1 3.61Å; F778-I784 HydrophobicContact CD2-CD1 4.18Å; F778-I784 HydrophobicContact CE1-CD1 3.72Å; F778-I784 HydrophobicContact CE2-CD1 4.23Å; F778-I784 HydrophobicContact CG-CD1 3.85Å; F778-I784 HydrophobicContact CZ-CD1 4Å; F778-Y799 HydrophobicContact CB-CD1 3.56Å; F778-Y799 HydrophobicContact CB-CE1 3.56Å; F778-Y799 HydrophobicContact CB-CG 4.29Å; F778-F807 HydrophobicContact CE1-CB 3.44Å; F778-F807 VanDerWaalsContact CE1-CB 3.44Å; F778-F807 HydrophobicContact CE1-CD2 4.33Å; F778-F807 AromaticContact CE1-CG 3.92Å; F778-F807 HydrophobicContact CE1-CG 3.92Å; F778-F807 HydrophobicContact CZ-CB 3.97Å; F778-F807 HydrophobicContact CZ-CD2 4.32Å; F778-F807 HydrophobicContact CZ-CG 4.34Å; F778-V812 HydrophobicContact CE2-CG1 4.29Å; F778-V812 HydrophobicContact CZ-CG1 4.23Å
779T83.1Confident81.2Confident83 Ų8369.9 Ų69.951%0.50937%0.366SS..  trans-99.8154.2177.949.60000111S767 G781 A782S767-T779 WeakPolarHBondContact OG-CA 3.44Å; T779-G781 PolarHBondContact O-N 3.2Å; T779-A782 WeakPolarHBondContact O-CB 3.44Å; T779-A782 PolarHBondContact O-N 2.96Å
780K81.3Confident80.6Confident141 Ų14165.4 Ų65.461%0.61335%0.345SS*.THydrogen-bonded Turntrans-50.2129.1172.2178.6167.6-177167.90110.6L765 S767L765-K780 WeakPolarHBondContact O-CD 3.29Å; L765-K780 WeakPolarHBondContact O-CE 3.49Å; L765-K780 VanDerWaalsContact O-CG 3.23Å; L765-K780 WeakPolarHBondContact O-CG 3.2Å; S767-K780 PolarHBondContact OG-N 3.31Å
781G71.2Confident79.1Confident46 Ų4671.2 Ų71.247%0.47438%0.377SS..THydrogen-bonded Turntrans92.3-6.7-175.800000115.2A764 T779A764-G781 PolarHBondContact O-N 2.81Å; T779-G781 PolarHBondContact O-N 3.2Å
782A79.6Confident78.6Confident7 Ų768.1 Ų68.16%0.05837%0.369CS..  trans-63.2137.9177.500000112.6R763 A764 F778 T779 Y799R763-A782 CarbonylContact C-O 3.56Å; R763-A782 WeakPolarHBondContact CA-O 3.26Å; A764-A782 HydrophobicContact CB-CB 4.11Å; A764-A782 PolarHBondContact N-O 2.71Å; F778-A782 HydrophobicContact CB-CB 3.92Å; T779-A782 WeakPolarHBondContact O-CB 3.44Å; T779-A782 PolarHBondContact O-N 2.96Å; A782-Y799 HydrophobicContact CB-CD2 4.14Å; A782-Y799 HydrophobicContact CB-CE1 4.12Å; A782-Y799 HydrophobicContact CB-CE2 3.44Å; A782-Y799 VanDerWaalsContact CB-CE2 3.44Å; A782-Y799 VanDerWaalsContact CB-CZ 3.41Å; A782-Y799 WeakPolarHBondContact CB-OH 3.45Å
783L80.5Confident78.3Confident77 Ų7762 Ų6240%0.40336%0.357SS..EExtended strand (participates in β ladder)trans-93.7119.2171.4-64.6175.5000109.4T761 V762 R763 Y799 V815T761-L783 HydrophobicContact CG2-CB 4.37Å; T761-L783 HydrophobicContact CG2-CD2 4.48Å; V762-L783 WeakPolarHBondContact O-CA 3.44Å; R763-L783 HydrophobicContact CB-CD2 3.92Å; R763-L783 HydrophobicContact CG-CD2 4.2Å; L783-Y799 VanDerWaalsContact O-CD2 3.3Å; L783-Y799 WeakPolarHBondContact O-CD2 3.41Å; L783-V815 HydrophobicContact CD2-CG2 3.84Å
784I81.5Confident78.7Confident0 Ų060.4 Ų60.40%034%0.336CS..EExtended strand (participates in β ladder)trans-105.5123.5179.1-52.3170.6000107.4T761 V762 L776 F778 V787 Y799 F807 V812T761-I784 CarbonylContact C-O 3.51Å; T761-I784 VanDerWaalsContact CA-O 3.27Å; T761-I784 WeakPolarHBondContact CA-O 3.3Å; V762-I784 HydrophobicContact CG2-CB 3.85Å; V762-I784 HydrophobicContact CG2-CD1 4.32Å; V762-I784 HydrophobicContact CG2-CG1 4.46Å; V762-I784 PolarHBondContact N-O 2.66Å; V762-I784 PolarHBondContact O-N 2.96Å; L776-I784 HydrophobicContact CD2-CD1 4.34Å; L776-I784 HydrophobicContact CD2-CG1 4.5Å; L776-I784 HydrophobicContact CD2-CG2 3.73Å; F778-I784 HydrophobicContact CD1-CD1 3.61Å; F778-I784 HydrophobicContact CD2-CD1 4.18Å; F778-I784 HydrophobicContact CE1-CD1 3.72Å; F778-I784 HydrophobicContact CE2-CD1 4.23Å; F778-I784 HydrophobicContact CG-CD1 3.85Å; F778-I784 HydrophobicContact CZ-CD1 4Å; I784-V787 HydrophobicContact CB-CG2 4.46Å; I784-V787 HydrophobicContact CG2-CG2 4.15Å; I784-V787 WeakPolarHBondContact O-CG2 3.1Å; I784-Y799 HydrophobicContact CG1-CG 4.47Å; I784-F807 HydrophobicContact CB-CZ 4.46Å; I784-F807 HydrophobicContact CD1-CD1 4.26Å; I784-F807 HydrophobicContact CD1-CD2 4.23Å; I784-F807 HydrophobicContact CD1-CE1 4.15Å; I784-F807 HydrophobicContact CD1-CE2 4.14Å; I784-F807 HydrophobicContact CD1-CG 4.3Å; I784-F807 HydrophobicContact CD1-CZ 4.09Å; I784-F807 HydrophobicContact CG2-CD1 4.35Å; I784-F807 HydrophobicContact CG2-CE1 3.59Å; I784-F807 HydrophobicContact CG2-CZ 3.94Å; I784-V812 HydrophobicContact CD1-CG1 3.96Å
785H78.5Confident78.9Confident85 Ų8558.9 Ų58.939%0.39433%0.325SS..EExtended strand (participates in β ladder)trans-103.3169.6-172.6-58.6-70.9000111.6N760 T761 V787 G797 D798N760-H785 CarbonylContact O-C 3.52Å; N760-H785 VanDerWaalsContact O-C 3.24Å; N760-H785 WeakPolarHBondContact O-CA 3.24Å; T761-H785 VanDerWaalsContact CG2-ND1 3.27Å; T761-H785 WeakPolarHBondContact CG2-ND1 3.39Å; T761-H785 PolarHBondContact OG1-ND1 3.33Å; H785-V787 PolarHBondContact O-N 2.88Å; H785-V787 VanDerWaalsContact O-N 3.17Å; H785-G797 CarbonylContact O-C 3.6Å; H785-G797 WeakPolarHBondContact O-CA 2.98Å; H785-D798 PolarHBondContact N-O 2.75Å; H785-D798 PolarHBondContact O-N 2.84Å
786N75.3Confident78.7Confident95 Ų9560.6 Ų60.651%0.50833%0.332SS..EExtended strand (participates in β ladder)trans4840.9-178.1-61.7-26.7000114.3N760 S788 D798 Q804N760-N786 WeakPolarHBondContact O-CA 3.32Å; N760-N786 PolarHBondContact O-N 3.14Å; N786-S788 PolarHBondContact O-N 3.46Å; N786-D798 WeakPolarHBondContact CB-OD2 3.47Å; N786-D798 PolarHBondContact ND2-OD2 2.83Å; N786-Q804 PolarHBondContact O-NE2 3.28Å
787V79.8Confident78.6Confident1 Ų160.5 Ų60.51%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-67.5115.4-176.8-177.30000112.8N760 V762 I784 H785 W795 K796 F807N760-V787 PolarHBondContact ND2-O 2.84Å; N760-V787 PolarHBondContact O-N 3.34Å; N760-V787 VanDerWaalsContact O-N 3.11Å; N760-V787 PolarHBondContact OD1-O 3.01Å; V762-V787 HydrophobicContact CB-CG2 4.34Å; V762-V787 HydrophobicContact CG1-CB 4.29Å; V762-V787 HydrophobicContact CG1-CG1 4.16Å; V762-V787 HydrophobicContact CG1-CG2 3.94Å; V762-V787 HydrophobicContact CG2-CG2 3.69Å; I784-V787 HydrophobicContact CB-CG2 4.46Å; I784-V787 HydrophobicContact CG2-CG2 4.15Å; I784-V787 WeakPolarHBondContact O-CG2 3.1Å; H785-V787 PolarHBondContact O-N 2.88Å; H785-V787 VanDerWaalsContact O-N 3.17Å; V787-W795 HydrophobicContact CG1-CB 3.94Å; V787-W795 HydrophobicContact CG1-CD2 4.25Å; V787-W795 HydrophobicContact CG1-CE3 3.81Å; V787-W795 HydrophobicContact CG1-CG 4.36Å; V787-K796 CarbonylContact C-O 3.5Å; V787-K796 WeakPolarHBondContact CA-O 3.44Å; V787-F807 HydrophobicContact CG1-CZ 3.85Å; V787-F807 HydrophobicContact CG2-CZ 4.01Å
788S78.3Confident78.4Confident39 Ų3958.9 Ų58.927%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-97.7122.8168.156.90000110.4N786 W795 K796 Q804N786-S788 PolarHBondContact O-N 3.46Å; S788-W795 WeakPolarHBondContact O-CA 3.32Å; S788-K796 PolarHBondContact N-O 2.91Å; S788-K796 PolarHBondContact O-N 2.88Å; S788-K796 WeakPolarHBondContact OG-CB 3.27Å; S788-Q804 PolarHBondContact OG-OE1 3.04Å
789K78.7Confident78.1Confident85 Ų8562 Ų6237%0.3733%0.33SS..EExtended strand (participates in β ladder)trans-87.9113.8-177.3-56.8-177.1-170.7176.90109.6W795 E814K789-W795 HydrophobicContact CB-CD2 4.44Å; K789-W795 HydrophobicContact CB-CG 4.39Å; K789-W795 HydrophobicContact CD-CH2 4.23Å; K789-W795 HydrophobicContact CD-CZ2 3.87Å; K789-W795 HydrophobicContact CG-CD2 3.97Å; K789-W795 HydrophobicContact CG-CE3 4.45Å; K789-W795 HydrophobicContact CG-CG 4.32Å; K789-W795 HydrophobicContact CG-CZ2 4.03Å; K789-E814 VanDerWaalsContact CE-OE1 3.24Å; K789-E814 WeakPolarHBondContact CE-OE1 3.12Å; K789-E814 IonicContact NZ-OE1 3.44Å; K789-E814 PolarHBondContact NZ-OE1 2.73Å; K789-E814 IonicContact NZ-OE2 2.65Å; K789-E814 PolarHBondContact NZ-OE2 3.18Å
790E74.3Confident77.5Confident65 Ų6561.4 Ų61.430%0.30434%0.341SS..  trans-94.2158169.5-53.9-168-178.800110.6D792 W794 K796 F806E790-D792 PolarHBondContact O-N 3.06Å; E790-W794 WeakPolarHBondContact CB-O 3.3Å; E790-K796 IonicContact OE1-NZ 3.28Å; E790-K796 PolarHBondContact OE1-NZ 3.32Å; E790-F806 WeakPolarHBondContact OE2-CE1 3.49Å
791V54.8Low76.9Confident154 Ų15458.5 Ų58.593%0.93335%0.351SS*.THydrogen-bonded Turntrans-74.8-15.3-166-173.10000112.2
792D69.3Low77Confident119 Ų11963.2 Ų63.264%0.63636%0.355SS*.THydrogen-bonded Turntrans-99.716.7-166.227.4-31.6000113.2E790 W794E790-D792 PolarHBondContact O-N 3.06Å; D792-W794 VanDerWaalsContact C-N 3.29Å; D792-W794 PolarHBondContact O-N 3.07Å
793G74.2Confident76.9Confident36 Ų3668.8 Ų68.837%0.37138%0.383SS..SBendtrans80.75.7172.500000114.9A809G793-A809 VanDerWaalsContact O-CB 3.23Å; G793-A809 WeakPolarHBondContact O-CB 3.45Å; G793-A809 PolarHBondContact O-N 3.29Å
794W82.1Confident77Confident89 Ų8968.9 Ų68.934%0.33738%0.381SS..EExtended strand (participates in β ladder)trans-116.1131.8172.1-71.981000109.6Y768 E775 E790 D792 F806 F807 P808Y768-W794 VanDerWaalsContact OH-CH2 3.25Å; Y768-W794 WeakPolarHBondContact OH-CH2 3.4Å; Y768-W794 WeakPolarHBondContact OH-CZ3 3.32Å; E775-W794 HydrophobicContact CG-CZ3 4.04Å; E790-W794 WeakPolarHBondContact CB-O 3.3Å; D792-W794 VanDerWaalsContact C-N 3.29Å; D792-W794 PolarHBondContact O-N 3.07Å; W794-F806 HydrophobicContact CB-CD1 4.08Å; W794-F806 HydrophobicContact CE3-CB 4.19Å; W794-F807 CarbonylContact C-O 3.58Å; W794-F807 WeakPolarHBondContact CA-O 3.32Å; W794-P808 HydrophobicContact CE3-CG 4.19Å; W794-P808 HydrophobicContact CH2-CG 3.83Å; W794-P808 HydrophobicContact CZ2-CG 4.31Å; W794-P808 HydrophobicContact CZ3-CG 3.74Å
795W88.1Confident77.2Confident37 Ų3770.5 Ų70.514%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-113.4153.3-179.9-63.6-9.1000109.5V762 V787 S788 K789 F806 F807 A809 V812 E814V762-W795 HydrophobicContact CG1-CE3 4.2Å; V762-W795 HydrophobicContact CG1-CZ3 3.85Å; V787-W795 HydrophobicContact CG1-CB 3.94Å; V787-W795 HydrophobicContact CG1-CD2 4.25Å; V787-W795 HydrophobicContact CG1-CE3 3.81Å; V787-W795 HydrophobicContact CG1-CG 4.36Å; S788-W795 WeakPolarHBondContact O-CA 3.32Å; K789-W795 HydrophobicContact CB-CD2 4.44Å; K789-W795 HydrophobicContact CB-CG 4.39Å; K789-W795 HydrophobicContact CD-CH2 4.23Å; K789-W795 HydrophobicContact CD-CZ2 3.87Å; K789-W795 HydrophobicContact CG-CD2 3.97Å; K789-W795 HydrophobicContact CG-CE3 4.45Å; K789-W795 HydrophobicContact CG-CG 4.32Å; K789-W795 HydrophobicContact CG-CZ2 4.03Å; W795-F806 CarbonylContact O-C 3.59Å; W795-F806 VanDerWaalsContact O-CA 3.3Å; W795-F806 WeakPolarHBondContact O-CA 3.25Å; W795-F807 HydrophobicContact CB-CD2 4.44Å; W795-F807 HydrophobicContact CB-CE1 4.38Å; W795-F807 HydrophobicContact CB-CE2 3.87Å; W795-F807 HydrophobicContact CB-CZ 3.84Å; W795-F807 HydrophobicContact CE3-CE2 4.2Å; W795-F807 PolarHBondContact N-O 3.29Å; W795-F807 WeakPolarHBondContact O-CD1 3.28Å; W795-F807 PolarHBondContact O-N 2.99Å; W795-A809 HydrophobicContact CD2-CB 3.57Å; W795-A809 HydrophobicContact CE3-CB 4.18Å; W795-A809 HydrophobicContact CG-CB 3.87Å; W795-A809 HydrophobicContact CH2-CB 4.37Å; W795-A809 HydrophobicContact CZ2-CB 3.79Å; W795-V812 HydrophobicContact CE3-CG2 3.79Å; W795-V812 HydrophobicContact CZ3-CG2 3.71Å; W795-E814 HydrophobicContact CH2-CG 4.41Å; W795-E814 WeakPolarHBondContact CH2-OE1 3.1Å; W795-E814 HydrophobicContact CZ3-CG 4.39Å
796K84.3Confident77.6Confident49 Ų4968.7 Ų68.721%0.21338%0.381CS..EExtended strand (participates in β ladder)trans-105150.2171.3-67.6172.1175.3137.20110.3V787 S788 E790 L805 F806V787-K796 CarbonylContact C-O 3.5Å; V787-K796 WeakPolarHBondContact CA-O 3.44Å; S788-K796 PolarHBondContact N-O 2.91Å; S788-K796 PolarHBondContact O-N 2.88Å; S788-K796 WeakPolarHBondContact OG-CB 3.27Å; E790-K796 IonicContact OE1-NZ 3.28Å; E790-K796 PolarHBondContact OE1-NZ 3.32Å; K796-L805 VanDerWaalsContact CA-O 3.26Å; K796-L805 WeakPolarHBondContact CA-O 3.5Å; K796-F806 HydrophobicContact CD-CD1 4.45Å; K796-F806 HydrophobicContact CD-CE1 4.24Å; K796-F806 HydrophobicContact CD-CE2 4.49Å; K796-F806 HydrophobicContact CD-CZ 4.3Å; K796-F806 HydrophobicContact CG-CD1 3.65Å; K796-F806 HydrophobicContact CG-CD2 4.33Å; K796-F806 HydrophobicContact CG-CE1 3.88Å; K796-F806 HydrophobicContact CG-CG 3.93Å; K796-F806 HydrophobicContact CG-CZ 4.35Å; K796-F806 VanDerWaalsContact NZ-CZ 3.29Å
797G83.6Confident78.2Confident0 Ų064.2 Ų64.20%036%0.356CS..EExtended strand (participates in β ladder)trans-172.7-17717400000112.7L776 H785 Q804 L805L776-G797 WeakPolarHBondContact CD2-O 3.36Å; H785-G797 CarbonylContact O-C 3.6Å; H785-G797 WeakPolarHBondContact O-CA 2.98Å; G797-Q804 PolarHBondContact O-N 2.96Å; G797-L805 PolarHBondContact N-O 2.87Å; G797-L805 VanDerWaalsContact N-O 3.09Å; G797-L805 PolarHBondContact O-N 2.84Å
798D80.5Confident78.5Confident20 Ų2064.6 Ų64.611%0.10736%0.359CS..EExtended strand (participates in β ladder)trans-112.5122.1-167.5-58.1-6.7000109.6H785 N786 R802 L803 Q804H785-D798 PolarHBondContact N-O 2.75Å; H785-D798 PolarHBondContact O-N 2.84Å; N786-D798 WeakPolarHBondContact CB-OD2 3.47Å; N786-D798 PolarHBondContact ND2-OD2 2.83Å; D798-R802 WeakPolarHBondContact CA-O 3.26Å; D798-L803 HydrophobicContact CB-CD2 3.91Å; D798-L803 WeakPolarHBondContact OD1-CA 3.22Å; D798-Q804 PolarHBondContact OD1-N 2.79Å; D798-Q804 PolarHBondContact OD1-NE2 2.84Å
799Y81Confident78.8Confident74 Ų7463.5 Ų63.529%0.2935%0.353SS..EExtended strand (participates in β ladder)trans-155140.2175.5-176.7-107.1000111.5S777 F778 A782 L783 I784 G801 R802S777-Y799 WeakPolarHBondContact O-CD1 3.31Å; F778-Y799 HydrophobicContact CB-CD1 3.56Å; F778-Y799 HydrophobicContact CB-CE1 3.56Å; F778-Y799 HydrophobicContact CB-CG 4.29Å; A782-Y799 HydrophobicContact CB-CD2 4.14Å; A782-Y799 HydrophobicContact CB-CE1 4.12Å; A782-Y799 HydrophobicContact CB-CE2 3.44Å; A782-Y799 VanDerWaalsContact CB-CE2 3.44Å; A782-Y799 VanDerWaalsContact CB-CZ 3.41Å; A782-Y799 WeakPolarHBondContact CB-OH 3.45Å; L783-Y799 VanDerWaalsContact O-CD2 3.3Å; L783-Y799 WeakPolarHBondContact O-CD2 3.41Å; I784-Y799 HydrophobicContact CG1-CG 4.47Å; Y799-G801 VanDerWaalsContact C-N 3.3Å; Y799-G801 PolarHBondContact O-N 2.84Å; Y799-R802 PolarHBondContact N-O 3.15Å; Y799-R802 PolarHBondContact O-N 3.05Å
800G70.3Confident79.2Confident71 Ų7165.2 Ų65.273%0.73237%0.366SS*.THydrogen-bonded Turntrans60.734174.500000114.7R802G800-R802 VanDerWaalsContact C-N 3.28Å; G800-R802 PolarHBondContact O-N 3.09Å
801G68Low79.6Confident80 Ų8066.2 Ų66.283%0.82537%0.367SS*.THydrogen-bonded Turntrans79.12.3-179.800000115.2Y799Y799-G801 VanDerWaalsContact C-N 3.3Å; Y799-G801 PolarHBondContact O-N 2.84Å
802R74.6Confident80.9Confident145 Ų14559.4 Ų59.455%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-102.2135172.4-59.3-170.6-179-159.6-0.2109.6L776 D798 Y799 G800 L805L776-R802 HydrophobicContact CD1-CB 3.96Å; D798-R802 WeakPolarHBondContact CA-O 3.26Å; Y799-R802 PolarHBondContact N-O 3.15Å; Y799-R802 PolarHBondContact O-N 3.05Å; G800-R802 VanDerWaalsContact C-N 3.28Å; G800-R802 PolarHBondContact O-N 3.09Å; R802-L805 HydrophobicContact CB-CD1 3.8Å; R802-L805 HydrophobicContact CB-CG 4.42Å; R802-L805 HydrophobicContact CG-CD1 4.35Å
803L78.3Confident81.5Confident123 Ų12357 Ų5764%0.64431%0.311SS*.EExtended strand (participates in β ladder)trans-111.4137.5-171.7-55174.9000110.3D798 L805D798-L803 HydrophobicContact CB-CD2 3.91Å; D798-L803 WeakPolarHBondContact OD1-CA 3.22Å; L803-L805 VanDerWaalsContact C-N 3.34Å; L803-L805 PolarHBondContact O-N 3.27Å
804Q81.7Confident81.5Confident79 Ų7960.1 Ų60.137%0.36932%0.316SS..EExtended strand (participates in β ladder)trans52.641.4171.8-62.8-61.7-67.100115.3N786 S788 G797 D798N786-Q804 PolarHBondContact O-NE2 3.28Å; S788-Q804 PolarHBondContact OG-OE1 3.04Å; G797-Q804 PolarHBondContact O-N 2.96Å; D798-Q804 PolarHBondContact OD1-N 2.79Å; D798-Q804 PolarHBondContact OD1-NE2 2.84Å
805L84.6Confident80.8Confident34 Ų3458.8 Ų58.818%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-96.4150.8173.6-63-174.1000111.5D774 L776 K796 G797 R802 L803D774-L805 WeakPolarHBondContact O-CB 3.43Å; L776-L805 HydrophobicContact CB-CB 3.85Å; L776-L805 HydrophobicContact CD1-CB 4.05Å; L776-L805 HydrophobicContact CD1-CD1 4.29Å; K796-L805 VanDerWaalsContact CA-O 3.26Å; K796-L805 WeakPolarHBondContact CA-O 3.5Å; G797-L805 PolarHBondContact N-O 2.87Å; G797-L805 VanDerWaalsContact N-O 3.09Å; G797-L805 PolarHBondContact O-N 2.84Å; R802-L805 HydrophobicContact CB-CD1 3.8Å; R802-L805 HydrophobicContact CB-CG 4.42Å; R802-L805 HydrophobicContact CG-CD1 4.35Å; L803-L805 VanDerWaalsContact C-N 3.34Å; L803-L805 PolarHBondContact O-N 3.27Å
806F87.1Confident79Confident48 Ų4861.5 Ų61.521%0.21134%0.342CS..EExtended strand (participates in β ladder)trans-74.1144-174-75.6-80.4000113.4D774 E775 L776 E790 W794 W795 K796D774-F806 HydrophobicContact CB-CD2 4.5Å; D774-F806 PolarHBondContact O-N 2.89Å; E775-F806 CarbonylContact C-O 3.52Å; E775-F806 WeakPolarHBondContact CA-O 3.37Å; E775-F806 HydrophobicContact CG-CB 4.47Å; L776-F806 PolarHBondContact N-O 2.83Å; E790-F806 WeakPolarHBondContact OE2-CE1 3.49Å; W794-F806 HydrophobicContact CB-CD1 4.08Å; W794-F806 HydrophobicContact CE3-CB 4.19Å; W795-F806 CarbonylContact O-C 3.59Å; W795-F806 VanDerWaalsContact O-CA 3.3Å; W795-F806 WeakPolarHBondContact O-CA 3.25Å; K796-F806 HydrophobicContact CD-CD1 4.45Å; K796-F806 HydrophobicContact CD-CE1 4.24Å; K796-F806 HydrophobicContact CD-CE2 4.49Å; K796-F806 HydrophobicContact CD-CZ 4.3Å; K796-F806 HydrophobicContact CG-CD1 3.65Å; K796-F806 HydrophobicContact CG-CD2 4.33Å; K796-F806 HydrophobicContact CG-CE1 3.88Å; K796-F806 HydrophobicContact CG-CG 3.93Å; K796-F806 HydrophobicContact CG-CZ 4.35Å; K796-F806 VanDerWaalsContact NZ-CZ 3.29Å
807F88.4Confident76.8Confident0 Ų064.4 Ų64.40%036%0.36CS..EExtended strand (participates in β ladder)trans-149.9157.1169.860.1-92.4000112.1V762 L776 F778 I784 V787 W794 W795 A809 V812V762-F807 HydrophobicContact CG2-CE2 4.04Å; V762-F807 HydrophobicContact CG2-CZ 3.92Å; L776-F807 HydrophobicContact CB-CB 4.39Å; L776-F807 HydrophobicContact CB-CD1 4.34Å; L776-F807 HydrophobicContact CD2-CD1 3.86Å; L776-F807 HydrophobicContact CD2-CE1 4.29Å; F778-F807 HydrophobicContact CE1-CB 3.44Å; F778-F807 VanDerWaalsContact CE1-CB 3.44Å; F778-F807 HydrophobicContact CE1-CD2 4.33Å; F778-F807 AromaticContact CE1-CG 3.92Å; F778-F807 HydrophobicContact CE1-CG 3.92Å; F778-F807 HydrophobicContact CZ-CB 3.97Å; F778-F807 HydrophobicContact CZ-CD2 4.32Å; F778-F807 HydrophobicContact CZ-CG 4.34Å; I784-F807 HydrophobicContact CB-CZ 4.46Å; I784-F807 HydrophobicContact CD1-CD1 4.26Å; I784-F807 HydrophobicContact CD1-CD2 4.23Å; I784-F807 HydrophobicContact CD1-CE1 4.15Å; I784-F807 HydrophobicContact CD1-CE2 4.14Å; I784-F807 HydrophobicContact CD1-CG 4.3Å; I784-F807 HydrophobicContact CD1-CZ 4.09Å; I784-F807 HydrophobicContact CG2-CD1 4.35Å; I784-F807 HydrophobicContact CG2-CE1 3.59Å; I784-F807 HydrophobicContact CG2-CZ 3.94Å; V787-F807 HydrophobicContact CG1-CZ 3.85Å; V787-F807 HydrophobicContact CG2-CZ 4.01Å; W794-F807 CarbonylContact C-O 3.58Å; W794-F807 WeakPolarHBondContact CA-O 3.32Å; W795-F807 HydrophobicContact CB-CD2 4.44Å; W795-F807 HydrophobicContact CB-CE1 4.38Å; W795-F807 HydrophobicContact CB-CE2 3.87Å; W795-F807 HydrophobicContact CB-CZ 3.84Å; W795-F807 HydrophobicContact CE3-CE2 4.2Å; W795-F807 PolarHBondContact N-O 3.29Å; W795-F807 WeakPolarHBondContact O-CD1 3.28Å; W795-F807 PolarHBondContact O-N 2.99Å; F807-A809 PolarHBondContact O-N 3.13Å; F807-V812 HydrophobicContact CD2-CG1 3.91Å; F807-V812 HydrophobicContact CD2-CG2 4.39Å; F807-V812 HydrophobicContact CE2-CB 4.38Å; F807-V812 HydrophobicContact CE2-CG1 3.73Å; F807-V812 HydrophobicContact CE2-CG2 3.75Å
808P86.9Confident74.4Confident9 Ų967.8 Ų67.86%0.05838%0.384CS..EExtended strand (participates in β ladder)trans-69.6127.4-178.4-15.429000111.6Y768 W794 N810 Y811Y768-P808 HydrophobicContact CD2-CG 3.94Å; Y768-P808 HydrophobicContact CE1-CG 4.38Å; Y768-P808 HydrophobicContact CE2-CG 3.58Å; Y768-P808 HydrophobicContact CG-CG 4.48Å; W794-P808 HydrophobicContact CE3-CG 4.19Å; W794-P808 HydrophobicContact CH2-CG 3.83Å; W794-P808 HydrophobicContact CZ2-CG 4.31Å; W794-P808 HydrophobicContact CZ3-CG 3.74Å; P808-N810 VanDerWaalsContact CB-OD1 3.22Å; P808-N810 WeakPolarHBondContact CB-OD1 3.15Å; P808-N810 PolarHBondContact O-N 3.4Å; P808-Y811 HydrophobicContact CB-CD2 3.86Å; P808-Y811 HydrophobicContact CB-CG 4.33Å; P808-Y811 HydrophobicContact CG-CD2 4.26Å; P808-Y811 HydrophobicContact CG-CG 4.48Å; P808-Y811 PolarHBondContact O-N 2.81Å; P808-Y811 VanDerWaalsContact O-N 3.11Å
809A84.4Confident72.3Confident17 Ų1769.9 Ų69.914%0.1440%0.404CS..G310 helixtrans-60.8-32.5-179.800000112.9G793 W795 F807 Y811 V812G793-A809 VanDerWaalsContact O-CB 3.23Å; G793-A809 WeakPolarHBondContact O-CB 3.45Å; G793-A809 PolarHBondContact O-N 3.29Å; W795-A809 HydrophobicContact CD2-CB 3.57Å; W795-A809 HydrophobicContact CE3-CB 4.18Å; W795-A809 HydrophobicContact CG-CB 3.87Å; W795-A809 HydrophobicContact CH2-CB 4.37Å; W795-A809 HydrophobicContact CZ2-CB 3.79Å; F807-A809 PolarHBondContact O-N 3.13Å; A809-Y811 PolarHBondContact O-N 2.91Å; A809-V812 VanDerWaalsContact O-CG2 3.26Å; A809-V812 WeakPolarHBondContact O-CG2 3.39Å; A809-V812 PolarHBondContact O-N 3.27Å
810N86Confident70.1Confident120 Ų12073.2 Ų73.264%0.64242%0.422SS*.G310 helixtrans-75.8-3179.663.4-25.8000114.4P808P808-N810 VanDerWaalsContact CB-OD1 3.22Å; P808-N810 WeakPolarHBondContact CB-OD1 3.15Å; P808-N810 PolarHBondContact O-N 3.4Å
811Y84.3Confident68.3Low86 Ų8674.8 Ų74.834%0.33742%0.417SS..G310 helixtrans-96.4-1.1177.1-86.1-121.4000112.9L765 Y766 Y768 P808 A809L765-Y811 PolarHBondContact N-O 2.79Å; Y766-Y811 HydrophobicContact CD2-CD1 4.42Å; Y768-Y811 HydrophobicContact CD2-CD1 4.12Å; Y768-Y811 HydrophobicContact CD2-CE1 4.11Å; Y768-Y811 HydrophobicContact CG-CD1 4.49Å; P808-Y811 HydrophobicContact CB-CD2 3.86Å; P808-Y811 HydrophobicContact CB-CG 4.33Å; P808-Y811 HydrophobicContact CG-CD2 4.26Å; P808-Y811 HydrophobicContact CG-CG 4.48Å; P808-Y811 PolarHBondContact O-N 2.81Å; P808-Y811 VanDerWaalsContact O-N 3.11Å; A809-Y811 PolarHBondContact O-N 2.91Å
812V82.3Confident66.6Low11 Ų1175.4 Ų75.47%0.06740%0.402CS..EExtended strand (participates in β ladder)trans-131.8156.8-175.6-58.60000110.5V762 R763 A764 F778 I784 W795 F807 A809V762-V812 HydrophobicContact CB-CB 3.94Å; V762-V812 HydrophobicContact CB-CG2 3.98Å; V762-V812 HydrophobicContact CG1-CG2 4.38Å; V762-V812 HydrophobicContact CG2-CB 3.71Å; V762-V812 HydrophobicContact CG2-CG1 3.88Å; V762-V812 HydrophobicContact CG2-CG2 3.79Å; R763-V812 CarbonylContact O-C 3.59Å; R763-V812 WeakPolarHBondContact O-CA 3.36Å; A764-V812 HydrophobicContact CB-CG1 4.48Å; F778-V812 HydrophobicContact CE2-CG1 4.29Å; F778-V812 HydrophobicContact CZ-CG1 4.23Å; I784-V812 HydrophobicContact CD1-CG1 3.96Å; W795-V812 HydrophobicContact CE3-CG2 3.79Å; W795-V812 HydrophobicContact CZ3-CG2 3.71Å; F807-V812 HydrophobicContact CD2-CG1 3.91Å; F807-V812 HydrophobicContact CD2-CG2 4.39Å; F807-V812 HydrophobicContact CE2-CB 4.38Å; F807-V812 HydrophobicContact CE2-CG1 3.73Å; F807-V812 HydrophobicContact CE2-CG2 3.75Å; A809-V812 VanDerWaalsContact O-CG2 3.26Å; A809-V812 WeakPolarHBondContact O-CG2 3.39Å; A809-V812 PolarHBondContact O-N 3.27Å
813E81.3Confident64.5Low68 Ų6870.6 Ų70.632%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-120.5145.7168.469.4-170.5157.400109.4V762 R763 L765V762-E813 CarbonylContact C-O 3.6Å; V762-E813 VanDerWaalsContact CA-O 3.29Å; V762-E813 WeakPolarHBondContact CA-O 3.33Å; V762-E813 WeakPolarHBondContact CB-O 3.43Å; R763-E813 HydrophobicContact CB-CG 4.11Å; R763-E813 IonicContact CZ-OE1 3.23Å; R763-E813 PolarHBondContact N-O 2.93Å; R763-E813 IonicContact NE-OE1 3.02Å; R763-E813 PolarHBondContact NE-OE1 3.39Å; R763-E813 IonicContact NH2-OE1 2.93Å; R763-E813 PolarHBondContact NH2-OE1 3.08Å; R763-E813 PolarHBondContact O-N 3.09Å; L765-E813 HydrophobicContact CD1-CB 4.12Å; L765-E813 HydrophobicContact CD2-CB 4.24Å; L765-E813 HydrophobicContact CD2-CG 3.98Å; L765-E813 WeakPolarHBondContact CD2-OE1 3.42Å; L765-E813 HydrophobicContact CG-CB 4.11Å; L765-E813 HydrophobicContact CG-CG 4.22Å
814E74.8Confident62.4Low102 Ų10270.7 Ų70.748%0.47739%0.388SS..EExtended strand (participates in β ladder)trans-70.8132.7177-74.4170.6-140.600110.6V762 K789 W795 S816V762-E814 HydrophobicContact CG1-CG 3.94Å; K789-E814 VanDerWaalsContact CE-OE1 3.24Å; K789-E814 WeakPolarHBondContact CE-OE1 3.12Å; K789-E814 IonicContact NZ-OE1 3.44Å; K789-E814 PolarHBondContact NZ-OE1 2.73Å; K789-E814 IonicContact NZ-OE2 2.65Å; K789-E814 PolarHBondContact NZ-OE2 3.18Å; W795-E814 HydrophobicContact CH2-CG 4.41Å; W795-E814 WeakPolarHBondContact CH2-OE1 3.1Å; W795-E814 HydrophobicContact CZ3-CG 4.39Å; E814-S816 PolarHBondContact O-N 3.16Å
815V66.5Low60.3Low62 Ų6269.5 Ų69.538%0.37639%0.392SS..  trans-82.497.3176.5-176.70000107.8T761 R763 L783 N817T761-V815 PolarHBondContact O-N 3Å; R763-V815 HydrophobicContact CB-CG2 3.7Å; L783-V815 HydrophobicContact CD2-CG2 3.84Å; V815-N817 PolarHBondContact O-N 2.84Å
816S50.2Low57.9Low94 Ų9473.8 Ų73.866%0.65741%0.411SS*.  trans-65.4123.4169.354.60000109.7E814 S818E814-S816 PolarHBondContact O-N 3.16Å; S816-S818 VanDerWaalsContact C-N 3.31Å; S816-S818 PolarHBondContact O-N 3.02Å
817N39.1Very low55.6Low110 Ų11076.3 Ų76.359%0.58842%0.424SS*.  trans-66.991.3165.8-108.5-2.5000108.6V815 A819V815-N817 PolarHBondContact O-N 2.84Å; N817-A819 PolarHBondContact O-N 3.09Å; N817-A819 VanDerWaalsContact O-N 3.15Å
818S33.3Very low53.4Low71 Ų7183.6 Ų83.650%0.49746%0.459SS..THydrogen-bonded Turntrans-66.8-5.6172.257.50000113.1S816 Q820 T821 D822S816-S818 VanDerWaalsContact C-N 3.31Å; S816-S818 PolarHBondContact O-N 3.02Å; S818-Q820 VanDerWaalsContact C-N 3.34Å; S818-Q820 PolarHBondContact O-N 3.1Å; S818-T821 PolarHBondContact O-N 3.29Å; S818-D822 PolarHBondContact O-N 3.07Å; S818-D822 VanDerWaalsContact O-N 3.09Å
819A34.5Very low51.2Low64 Ų6489.3 Ų89.353%0.52949%0.485SS..Hα-helixtrans-69.8-20.2-178.800000114.9N817 A823N817-A819 PolarHBondContact O-N 3.09Å; N817-A819 VanDerWaalsContact O-N 3.15Å; A819-A823 VanDerWaalsContact O-CB 3.31Å; A819-A823 WeakPolarHBondContact O-CB 2.95Å; A819-A823 PolarHBondContact O-N 2.82Å; A819-A823 VanDerWaalsContact O-N 3.17Å
820Q35.6Very low49.4Very low143 Ų14394.2 Ų94.267%0.66851%0.509SS*.Hα-helixtrans-89.7-24.1176.1-91.6176.4-15.800113.5S818 K824S818-Q820 VanDerWaalsContact C-N 3.34Å; S818-Q820 PolarHBondContact O-N 3.1Å; Q820-K824 PolarHBondContact O-N 2.85Å
821T32.1Very low48Very low104 Ų10489 Ų8964%0.63848%0.482SS*.Hα-helixtrans-77.2-35169.5-4.50000111S818 A825S818-T821 PolarHBondContact O-N 3.29Å; T821-A825 WeakPolarHBondContact O-CB 3.33Å; T821-A825 PolarHBondContact O-N 3.49Å
822D32Very low46.6Very low94 Ų9487.3 Ų87.350%0.50348%0.481SS..Hα-helixtrans-71.9-33.6173.8-71.2-27.8000112.4S818 A825 Q826S818-D822 PolarHBondContact O-N 3.07Å; S818-D822 VanDerWaalsContact O-N 3.09Å; D822-A825 PolarHBondContact O-N 2.78Å; D822-Q826 WeakPolarHBondContact O-CB 3.32Å; D822-Q826 PolarHBondContact O-N 2.94Å
823A30.5Very low45Very low43 Ų4386.9 Ų86.936%0.35548%0.478SS..Hα-helixtrans-69.9-39.4174.200000113A819 Q826 E827A819-A823 VanDerWaalsContact O-CB 3.31Å; A819-A823 WeakPolarHBondContact O-CB 2.95Å; A819-A823 PolarHBondContact O-N 2.82Å; A819-A823 VanDerWaalsContact O-N 3.17Å; A823-Q826 PolarHBondContact O-N 3.06Å; A823-E827 WeakPolarHBondContact O-CB 3.37Å; A823-E827 WeakPolarHBondContact O-CG 3.5Å; A823-E827 PolarHBondContact O-N 2.89Å
824K35Very low43.9Very low126 Ų12684.4 Ų84.455%0.54847%0.47SS..Hα-helixtrans-71.2-30173.4-75.5-170.7175.9-173.90112.6Q820 M828Q820-K824 PolarHBondContact O-N 2.85Å; K824-M828 PolarHBondContact O-N 2.8Å
825A36.7Very low42.7Very low54 Ų5487.8 Ų87.845%0.44649%0.486SS..Hα-helixtrans-70.2-38.1171.200000112T821 D822 E829T821-A825 WeakPolarHBondContact O-CB 3.33Å; T821-A825 PolarHBondContact O-N 3.49Å; D822-A825 PolarHBondContact O-N 2.78Å; A825-E829 PolarHBondContact O-N 3.19Å; A825-E829 VanDerWaalsContact O-N 3.12Å
826Q35.1Very low41.9Very low123 Ų12387.3 Ų87.358%0.57548%0.482SS*.Hα-helixtrans-70.6-38.6173.5-88.9174.9-47.100113.2D822 A823 M828 E829 D830D822-Q826 WeakPolarHBondContact O-CB 3.32Å; D822-Q826 PolarHBondContact O-N 2.94Å; A823-Q826 PolarHBondContact O-N 3.06Å; Q826-M828 VanDerWaalsContact C-N 3.27Å; Q826-M828 PolarHBondContact O-N 2.9Å; Q826-E829 WeakPolarHBondContact O-CB 3.34Å; Q826-E829 PolarHBondContact O-N 3.04Å; Q826-E829 VanDerWaalsContact O-N 3.07Å; Q826-D830 PolarHBondContact O-N 3.29Å
827E39.7Very low42.2Very low102 Ų10284.2 Ų84.248%0.47746%0.46SS..Hα-helixtrans-68-25.7175.1-76.6-166.1135.500113.2K495 A823K495-E827 IonicContact NZ-OE1 3.92Å; K495-E827 PolarHBondContact NZ-OE1 3.1Å; A823-E827 WeakPolarHBondContact O-CB 3.37Å; A823-E827 WeakPolarHBondContact O-CG 3.5Å; A823-E827 PolarHBondContact O-N 2.89Å
828M40.7Very low43.5Very low153 Ų15381.7 Ų81.775%0.75444%0.443SS*.Hα-helixtrans-79.7-23.3168.6-97.7171.256.400113.5K824 Q826K824-M828 PolarHBondContact O-N 2.8Å; Q826-M828 VanDerWaalsContact C-N 3.27Å; Q826-M828 PolarHBondContact O-N 2.9Å
829E40.9Very low44.9Very low129 Ų12979 Ų7960%0.60343%0.427SS*.Hα-helixtrans-75.3-30.1-177.5-123.4-179.1167.400113A825 Q826 Q983A825-E829 PolarHBondContact O-N 3.19Å; A825-E829 VanDerWaalsContact O-N 3.12Å; Q826-E829 WeakPolarHBondContact O-CB 3.34Å; Q826-E829 PolarHBondContact O-N 3.04Å; Q826-E829 VanDerWaalsContact O-N 3.07Å; E829-Q983 PolarHBondContact O-NE2 2.79Å
830D46.3Very low46.7Very low120 Ų12079.6 Ų79.664%0.64242%0.421SS*.SBendtrans-99.87.1-177.3-76.6-26000114.5Q826 P832Q826-D830 PolarHBondContact O-N 3.29Å; D830-P832 WeakPolarHBondContact O-CD 3.36Å
831N57.8Low48.5Very low11 Ų1173.2 Ų73.26%0.05939%0.391CS..  trans-72.7117.7178.3169.212.8000112Y497 L833 G834 C837Y497-N831 HydrophobicContact CD1-CB 4.48Å; Y497-N831 WeakPolarHBondContact CD1-OD1 3.46Å; Y497-N831 HydrophobicContact CE1-CB 4.16Å; N831-L833 VanDerWaalsContact C-N 3.25Å; N831-L833 PolarHBondContact O-N 3.39Å; N831-L833 PolarHBondContact OD1-N 3.01Å; N831-G834 PolarHBondContact ND2-O 3.36Å; N831-G834 PolarHBondContact O-N 3.23Å; N831-C837 WeakPolarHBondContact ND2-CB 3.19Å
832P54Low50.5Low50 Ų5071.7 Ų71.733%0.32538%0.377SS..THydrogen-bonded Turntrans-69.8-16.5-178.228.5-34.6000114.2V490 Y497 D830V490-P832 HydrophobicContact CB-CG 4.32Å; V490-P832 HydrophobicContact CG1-CB 4.24Å; V490-P832 HydrophobicContact CG1-CG 3.93Å; Y497-P832 HydrophobicContact CD1-CG 4.31Å; Y497-P832 HydrophobicContact CD2-CG 3.65Å; Y497-P832 HydrophobicContact CE2-CG 3.98Å; Y497-P832 HydrophobicContact CG-CG 3.85Å; D830-P832 WeakPolarHBondContact O-CD 3.36Å
833L50.1Low52.4Low2 Ų267.3 Ų67.31%0.0135%0.353CS..THydrogen-bonded Turntrans-98.6-3.3179.2-65.1178.8000113.5L333 Y488 V490 A499 N831 L836 C837L333-L833 HydrophobicContact CD1-CD2 4.18Å; Y488-L833 HydrophobicContact CD1-CD2 3.89Å; Y488-L833 HydrophobicContact CE1-CD2 4.13Å; V490-L833 HydrophobicContact CG2-CD2 3.75Å; V490-L833 HydrophobicContact CG2-CG 4.23Å; A499-L833 HydrophobicContact CB-CD1 4.19Å; N831-L833 VanDerWaalsContact C-N 3.25Å; N831-L833 PolarHBondContact O-N 3.39Å; N831-L833 PolarHBondContact OD1-N 3.01Å; L833-L836 WeakPolarHBondContact O-CB 3.41Å; L833-L836 PolarHBondContact O-N 3.46Å; L833-C837 HydrophobicContact CB-CB 3.95Å
834G57Low54.3Low15 Ų1566.2 Ų66.216%0.15534%0.343CS..G310 helixtrans55.1-138.918000000113.2N831 L836 C837N831-G834 PolarHBondContact ND2-O 3.36Å; N831-G834 PolarHBondContact O-N 3.23Å; G834-L836 PolarHBondContact O-N 2.92Å; G834-C837 WeakPolarHBondContact O-CB 3.22Å; G834-C837 PolarHBondContact O-N 3.23Å
835E49.4Very low55.8Low174 Ų17464.2 Ų64.281%0.81334%0.337SS*.G310 helixtrans-64.5-17.6179.8-66.4-176.9-170.600114C837E835-C837 VanDerWaalsContact C-N 3.26Å; E835-C837 PolarHBondContact O-N 3.15Å
836L49.6Very low57.6Low52 Ų5263.1 Ų63.127%0.27232%0.321SS..G310 helixtrans-77.9-10.4178.9-63.2171.3000113.1L333 A499 E500 L833 G834 K838 V985L333-L836 HydrophobicContact CD1-CD1 4.38Å; A499-L836 VanDerWaalsContact CA-O 3.26Å; A499-L836 WeakPolarHBondContact CA-O 3.41Å; A499-L836 HydrophobicContact CB-CB 4.43Å; E500-L836 PolarHBondContact N-O 3.3Å; L833-L836 WeakPolarHBondContact O-CB 3.41Å; L833-L836 PolarHBondContact O-N 3.46Å; G834-L836 PolarHBondContact O-N 2.92Å; L836-K838 PolarHBondContact O-N 2.8Å; L836-K838 VanDerWaalsContact O-N 3.14Å; L836-V985 HydrophobicContact CD1-CB 4.13Å; L836-V985 HydrophobicContact CD1-CG1 3.5Å
837C56.2Low59.3Low29 Ų2961.2 Ų61.220%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-67.3110.1-179.4-175.60000111.1N831 L833 G834 E835 G839N831-C837 WeakPolarHBondContact ND2-CB 3.19Å; L833-C837 HydrophobicContact CB-CB 3.95Å; G834-C837 WeakPolarHBondContact O-CB 3.22Å; G834-C837 PolarHBondContact O-N 3.23Å; E835-C837 VanDerWaalsContact C-N 3.26Å; E835-C837 PolarHBondContact O-N 3.15Å; C837-G839 PolarHBondContact SG-O 3.44Å
838K66.3Low60.8Low56 Ų5657.4 Ų57.424%0.24330%0.298CS..EExtended strand (participates in β ladder)trans-78-32.4175.6-175.5178.2175.5-176.50111.9Y498 E500 L836Y498-K838 HydrophobicContact CD2-CB 4.08Å; Y498-K838 HydrophobicContact CD2-CD 4.39Å; Y498-K838 HydrophobicContact CE2-CB 3.92Å; Y498-K838 HydrophobicContact CE2-CD 3.91Å; Y498-K838 HydrophobicContact CE2-CG 3.92Å; Y498-K838 PolarHBondContact O-N 3.29Å; E500-K838 HydrophobicContact CG-CB 4.12Å; E500-K838 HydrophobicContact CG-CD 4.08Å; E500-K838 HydrophobicContact CG-CG 4.26Å; L836-K838 PolarHBondContact O-N 2.8Å; L836-K838 VanDerWaalsContact O-N 3.14Å
839G63.7Low61.9Low15 Ų1554.8 Ų54.816%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-169.5161.2179.800000113.7Y498 C837Y498-G839 VanDerWaalsContact CD1-O 3.29Å; Y498-G839 WeakPolarHBondContact CD1-O 3.32Å; Y498-G839 WeakPolarHBondContact CE1-O 3.18Å; Y498-G839 PolarHBondContact N-O 2.69Å; Y498-G839 VanDerWaalsContact N-O 3.16Å; C837-G839 PolarHBondContact SG-O 3.44Å
840I71.1Confident62.7Low77 Ų7754.2 Ų54.240%0.39529%0.285SS..EExtended strand (participates in β ladder)trans-124131.3-178.6-51.8174.7000107.6K495 L496 Y497K495-I840 HydrophobicContact CB-CG2 3.98Å; K495-I840 HydrophobicContact CD-CG2 4.02Å; K495-I840 HydrophobicContact CG-CG2 4.33Å; L496-I840 CarbonylContact O-C 3.49Å; L496-I840 WeakPolarHBondContact O-CA 3.39Å; Y497-I840 HydrophobicContact CD1-CB 4.45Å; Y497-I840 HydrophobicContact CD1-CD1 4.06Å; Y497-I840 HydrophobicContact CD1-CG1 3.69Å; Y497-I840 HydrophobicContact CD1-CG2 4.17Å; Y497-I840 HydrophobicContact CE1-CD1 3.71Å; Y497-I840 HydrophobicContact CE1-CG1 3.82Å; Y497-I840 HydrophobicContact CE1-CG2 3.93Å
841V74.3Confident63.2Low8 Ų851.9 Ų51.95%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-118.5109.9174.9-179.50000108.1K495 L496 Y498 I843 Y846 L864 F874K495-V841 CarbonylContact C-O 3.33Å; L496-V841 HydrophobicContact CB-CB 4.2Å; L496-V841 HydrophobicContact CD2-CB 4.46Å; L496-V841 PolarHBondContact N-O 3.07Å; L496-V841 PolarHBondContact O-N 3.42Å; Y498-V841 HydrophobicContact CE1-CG2 4.15Å; V841-I843 PolarHBondContact O-N 3.08Å; V841-I843 VanDerWaalsContact O-N 3.13Å; V841-Y846 HydrophobicContact CG1-CD2 3.98Å; V841-Y846 HydrophobicContact CG1-CE2 3.55Å; V841-L864 HydrophobicContact CG1-CD1 4.38Å; V841-F874 HydrophobicContact CG2-CD1 4.35Å; V841-F874 HydrophobicContact CG2-CE1 3.9Å; V841-F874 HydrophobicContact CG2-CE2 4.14Å; V841-F874 HydrophobicContact CG2-CZ 3.8Å
842E73.5Confident63.1Low73 Ų7356.9 Ų56.934%0.34129%0.292SS..EExtended strand (participates in β ladder)trans-75.5100.3176.8-173.7169.9-15200110K495 S844 M845 Y846K495-E842 HydrophobicContact CG-CB 4.25Å; K495-E842 HydrophobicContact CG-CG 4.15Å; E842-S844 WeakPolarHBondContact CG-OG 3.34Å; E842-S844 PolarHBondContact O-N 2.88Å; E842-M845 HydrophobicContact CB-CG 4.21Å; E842-M845 HydrophobicContact CG-CG 4.03Å; E842-M845 WeakPolarHBondContact O-CB 3.27Å; E842-M845 PolarHBondContact O-N 2.86Å; E842-M845 WeakPolarHBondContact OE2-CE 3.15Å; E842-Y846 WeakPolarHBondContact O-CD2 3.03Å
843I73.6Confident63.3Low1 Ų162.2 Ų62.21%0.00532%0.318CS..G310 helixtrans-63.3-30.3-167.6-53.8175000111I491 D494 L496 V841 M845 Y846 A891 V894 T895I491-I843 HydrophobicContact CD1-CD1 3.74Å; I491-I843 HydrophobicContact CG1-CD1 3.82Å; I491-I843 HydrophobicContact CG2-CD1 3.89Å; D494-I843 PolarHBondContact O-N 3.31Å; L496-I843 HydrophobicContact CB-CD1 3.94Å; L496-I843 HydrophobicContact CB-CG1 3.92Å; V841-I843 PolarHBondContact O-N 3.08Å; V841-I843 VanDerWaalsContact O-N 3.13Å; I843-M845 PolarHBondContact O-N 3.36Å; I843-Y846 PolarHBondContact O-N 2.93Å; I843-A891 HydrophobicContact CD1-CB 4.5Å; I843-A891 HydrophobicContact CG2-CB 4.07Å; I843-V894 HydrophobicContact CB-CG1 4Å; I843-V894 HydrophobicContact CG2-CG1 4.19Å; I843-T895 HydrophobicContact CG2-CG2 4.15Å
844S68.7Low64Low20 Ų2063.7 Ų63.714%0.1433%0.333CS..G310 helixtrans-59.7-24.4177.2640000113.5E842 Y846 K867E842-S844 WeakPolarHBondContact CG-OG 3.34Å; E842-S844 PolarHBondContact O-N 2.88Å; S844-Y846 VanDerWaalsContact C-N 3.34Å; S844-K867 WeakPolarHBondContact O-CE 3.45Å; S844-K867 PolarHBondContact O-NZ 3.01Å
845M68Low64.8Low84 Ų8464.8 Ų64.841%0.41433%0.334SS..G310 helixtrans-84.3-5177.8-60.1-68-175.700113.6E842 I843 K867E842-M845 HydrophobicContact CB-CG 4.21Å; E842-M845 HydrophobicContact CG-CG 4.03Å; E842-M845 WeakPolarHBondContact O-CB 3.27Å; E842-M845 PolarHBondContact O-N 2.86Å; E842-M845 WeakPolarHBondContact OE2-CE 3.15Å; I843-M845 PolarHBondContact O-N 3.36Å; M845-K867 WeakPolarHBondContact O-CB 3.24Å; M845-K867 VanDerWaalsContact O-CG 3.28Å; M845-K867 WeakPolarHBondContact O-CG 3.31Å; M845-K867 PolarHBondContact O-N 3.43Å
846Y73.2Confident65.9Low32 Ų3262.2 Ų62.213%0.12532%0.317CS..EExtended strand (participates in β ladder)trans-113.5147.9-176.8-65.9-104000111.6V841 E842 I843 S844 L864 Q865 H866 K867V841-Y846 HydrophobicContact CG1-CD2 3.98Å; V841-Y846 HydrophobicContact CG1-CE2 3.55Å; E842-Y846 WeakPolarHBondContact O-CD2 3.03Å; I843-Y846 PolarHBondContact O-N 2.93Å; S844-Y846 VanDerWaalsContact C-N 3.34Å; Y846-L864 HydrophobicContact CD1-CB 3.81Å; Y846-L864 HydrophobicContact CG-CB 4.11Å; Y846-Q865 CarbonylContact C-O 3.53Å; Y846-Q865 VanDerWaalsContact CA-O 3.29Å; Y846-Q865 WeakPolarHBondContact CA-O 3.4Å; Y846-Q865 VanDerWaalsContact CD1-C 3.49Å; Y846-H866 HydrophobicContact CD1-CB 4.1Å; Y846-H866 HydrophobicContact CE1-CB 3.86Å; Y846-H866 AromaticContact CE1-CD2 3.98Å; Y846-H866 AromaticContact CE2-CD2 3.91Å; Y846-H866 AromaticContact CZ-CD2 3.67Å; Y846-K867 WeakPolarHBondContact O-CE 3.39Å
847N71.3Confident66.8Low82 Ų8263.9 Ų63.944%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-95134.7163.3-72-33.6000108.6Q849 Q865 K867N847-Q849 PolarHBondContact O-N 2.89Å; N847-Q865 PolarHBondContact N-O 2.69Å; N847-Q865 PolarHBondContact O-N 2.97Å; N847-K867 WeakPolarHBondContact OD1-CE 3.33Å
848I71.9Confident67.8Low23 Ų2366 Ų6612%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-81.1103.4175.9-55.7179.3000108.4L862 L864 Y888 A891 W892 T895I848-L862 HydrophobicContact CG2-CD1 3.51Å; I848-L864 HydrophobicContact CG1-CD2 3.83Å; I848-Y888 HydrophobicContact CB-CE2 4.37Å; I848-Y888 HydrophobicContact CD1-CD2 4.46Å; I848-Y888 HydrophobicContact CD1-CE2 4.46Å; I848-Y888 HydrophobicContact CG2-CD2 3.69Å; I848-Y888 HydrophobicContact CG2-CE2 3.57Å; I848-A891 HydrophobicContact CD1-CB 3.73Å; I848-W892 HydrophobicContact CB-CE3 4.41Å; I848-W892 HydrophobicContact CD1-CB 4.1Å; I848-W892 HydrophobicContact CD1-CE3 4.25Å; I848-T895 HydrophobicContact CD1-CG2 4.47Å
849Q62.8Low67.9Low97 Ų9767.1 Ų67.145%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-98.2105.1176.9-84-159.6-7.400110.6N847 T863 Q865N847-Q849 PolarHBondContact O-N 2.89Å; Q849-T863 PolarHBondContact N-O 3.11Å; Q849-T863 VanDerWaalsContact N-O 3.08Å; Q849-Q865 HydrophobicContact CG-CB 4.32Å
850N57.5Low68.7Low118 Ų11868.8 Ų68.863%0.63137%0.37SS*.EExtended strand (participates in β ladder)trans64.6117.4150.9-133.3-5.4000117.2K852N850-K852 PolarHBondContact O-N 2.83Å
851M56.6Low69Low70 Ų7065.2 Ų65.235%0.34535%0.351SS..EExtended strand (participates in β ladder)trans-73.1104.7162.7-74.9169.573.300108.6L881 F885M851-L881 HydrophobicContact CE-CD1 3.53Å; M851-F885 HydrophobicContact SD-CD2 4.38Å
852K57.2Low69.4Low117 Ų11765 Ų6551%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-88.6143.3172.6-68.7-175.4-178.4177.90110.1N850 G854N850-K852 PolarHBondContact O-N 2.83Å; K852-G854 PolarHBondContact O-N 2.82Å
853N56.3Low69.7Low162 Ų16262.1 Ų62.187%0.86634%0.337SS*.EExtended strand (participates in β ladder)trans-71.382.2165-78.2-7.4000109
854G65.3Low70Confident32 Ų3262.2 Ų62.233%0.3334%0.338SS..EExtended strand (participates in β ladder)trans83.8137.6170.200000117.5K852 K858 P859K852-G854 PolarHBondContact O-N 2.82Å; G854-K858 CarbonylContact C-O 3.56Å; G854-K858 WeakPolarHBondContact CA-O 3.38Å; G854-P859 WeakPolarHBondContact CA-O 3.37Å; G854-P859 PolarHBondContact N-O 3.3Å
855K74.4Confident70.3Confident38 Ų3862.1 Ų62.117%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-147.4138.3175.6-158.8-176.5-174.4-174.30107.5G857 K858 V861 D875K855-G857 VanDerWaalsContact C-N 3.28Å; K855-G857 PolarHBondContact O-N 3Å; K855-G857 VanDerWaalsContact O-N 3.13Å; K855-K858 PolarHBondContact N-O 3.37Å; K855-K858 VanDerWaalsContact N-O 3.15Å; K855-K858 PolarHBondContact O-N 2.81Å; K855-V861 HydrophobicContact CB-CB 4.16Å; K855-V861 HydrophobicContact CB-CG1 4.27Å; K855-V861 HydrophobicContact CB-CG2 3.91Å; K855-V861 HydrophobicContact CD-CG1 4.48Å; K855-D875 WeakPolarHBondContact CE-OD2 3.17Å; K855-D875 IonicContact NZ-OD1 2.74Å; K855-D875 PolarHBondContact NZ-OD1 2.92Å; K855-D875 IonicContact NZ-OD2 3.54Å; K855-D875 PolarHBondContact NZ-OD2 3.19Å
856Y72.1Confident70.7Confident121 Ų12159.8 Ų59.848%0.47532%0.323SS..THydrogen-bonded Turntrans47.441.4179.9-48.8-59.6000115.5W477 W484 K858W477-Y856 AromaticContact CD1-CE2 3.83Å; W477-Y856 AromaticContact CD2-CD2 3.54Å; W477-Y856 HydrophobicContact CD2-CD2 3.54Å; W477-Y856 HydrophobicContact CD2-CE2 4.03Å; W477-Y856 AromaticContact CD2-CG 3.89Å; W477-Y856 HydrophobicContact CD2-CG 3.89Å; W477-Y856 AromaticContact CE2-CD2 3.7Å; W477-Y856 AromaticContact CE2-CE2 3.89Å; W477-Y856 AromaticContact CE2-CG 3.84Å; W477-Y856 AromaticContact CE3-CD2 3.92Å; W477-Y856 HydrophobicContact CE3-CD2 3.92Å; W477-Y856 AromaticContact CE3-CG 3.94Å; W477-Y856 HydrophobicContact CE3-CG 3.94Å; W477-Y856 AromaticContact CG-CD2 3.81Å; W477-Y856 HydrophobicContact CG-CD2 3.81Å; W477-Y856 AromaticContact CG-CE2 3.98Å; W477-Y856 HydrophobicContact CG-CE2 3.98Å; W477-Y856 HydrophobicContact CH2-CD1 4.08Å; W477-Y856 AromaticContact CH2-CG 3.89Å; W477-Y856 HydrophobicContact CH2-CG 3.89Å; W477-Y856 AromaticContact CZ2-CD1 3.85Å; W477-Y856 HydrophobicContact CZ2-CD1 3.85Å; W477-Y856 HydrophobicContact CZ2-CD2 4.2Å; W477-Y856 HydrophobicContact CZ2-CE1 4.22Å; W477-Y856 AromaticContact CZ2-CG 3.85Å; W477-Y856 HydrophobicContact CZ2-CG 3.85Å; W477-Y856 VanDerWaalsContact CZ3-CB 3.46Å; W477-Y856 HydrophobicContact CZ3-CD2 4.4Å; W477-Y856 AromaticContact CZ3-CG 3.95Å; W477-Y856 HydrophobicContact CZ3-CG 3.95Å; W477-Y856 AromaticContact NE1-CE2 3.75Å; W484-Y856 HydrophobicContact CZ2-CD2 4.11Å; W484-Y856 PolarHBondContact NE1-O 2.97Å; Y856-K858 PolarHBondContact O-N 3.02Å
857G68.1Low70.5Confident87 Ų8763.1 Ų63.190%0.89734%0.338SS*.THydrogen-bonded Turntrans82.7-4.4175.100000116.7K855K855-G857 VanDerWaalsContact C-N 3.28Å; K855-G857 PolarHBondContact O-N 3Å; K855-G857 VanDerWaalsContact O-N 3.13Å
858K78.3Confident70Confident74 Ų7467.3 Ų67.332%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-97.6142.1170.5-74.2-81.2178.7157.10110.4D475 W484 G854 K855 Y856 V861 A877D475-K858 WeakPolarHBondContact OD2-CE 3.12Å; D475-K858 IonicContact OD2-NZ 3.5Å; D475-K858 PolarHBondContact OD2-NZ 3.44Å; W484-K858 HydrophobicContact CD2-CG 3.94Å; W484-K858 HydrophobicContact CG-CG 3.87Å; W484-K858 HydrophobicContact CZ2-CB 4.26Å; W484-K858 HydrophobicContact CZ2-CG 4.39Å; G854-K858 CarbonylContact C-O 3.56Å; G854-K858 WeakPolarHBondContact CA-O 3.38Å; K855-K858 PolarHBondContact N-O 3.37Å; K855-K858 VanDerWaalsContact N-O 3.15Å; K855-K858 PolarHBondContact O-N 2.81Å; Y856-K858 PolarHBondContact O-N 3.02Å; K858-V861 HydrophobicContact CB-CG2 4.22Å; K858-A877 HydrophobicContact CB-CB 4.29Å; K858-A877 HydrophobicContact CG-CB 4.47Å
859P68.6Low69.4Low78 Ų7871.4 Ų71.451%0.50637%0.374SS..EExtended strand (participates in β ladder)trans-78.9-23.5-173.229.3-34.6000114.7G854G854-P859 WeakPolarHBondContact CA-O 3.37Å; G854-P859 PolarHBondContact N-O 3.3Å
860H79.1Confident68.9Low51 Ų5173.1 Ų73.124%0.23639%0.386CS..EExtended strand (participates in β ladder)trans-132.6108.2-172.8-50.9-52.1000110.1A877 L884H860-A877 WeakPolarHBondContact O-CA 3.23Å; H860-A877 VanDerWaalsContact O-CB 3.3Å; H860-A877 WeakPolarHBondContact O-CB 3.17Å; H860-L884 HydrophobicContact CB-CD2 3.7Å
861V78.5Confident68.5Low2 Ų272.7 Ų72.71%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-132.5134.7-175.5-174.70000110.9W484 K855 K858 D875 L876 A877W484-V861 HydrophobicContact CH2-CG1 3.82Å; W484-V861 HydrophobicContact CH2-CG2 3.95Å; W484-V861 HydrophobicContact CZ2-CG1 4.5Å; W484-V861 HydrophobicContact CZ2-CG2 3.98Å; K855-V861 HydrophobicContact CB-CB 4.16Å; K855-V861 HydrophobicContact CB-CG1 4.27Å; K855-V861 HydrophobicContact CB-CG2 3.91Å; K855-V861 HydrophobicContact CD-CG1 4.48Å; K858-V861 HydrophobicContact CB-CG2 4.22Å; V861-D875 HydrophobicContact CG1-CB 4.14Å; V861-L876 CarbonylContact C-O 3.56Å; V861-L876 WeakPolarHBondContact CA-O 3.48Å; V861-A877 HydrophobicContact CG2-CB 4.15Å
862L82.4Confident68.6Low3 Ų370.5 Ų70.52%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-107.6125.9174175.768.3000108.9I848 L876 L884 Y888I848-L862 HydrophobicContact CG2-CD1 3.51Å; L862-L876 HydrophobicContact CB-CB 4.33Å; L862-L876 HydrophobicContact CD2-CD1 4.35Å; L862-L876 PolarHBondContact N-O 2.76Å; L862-L876 PolarHBondContact O-N 2.83Å; L862-L884 HydrophobicContact CB-CD1 3.81Å; L862-L884 HydrophobicContact CB-CD2 4.48Å; L862-L884 HydrophobicContact CB-CG 4.31Å; L862-Y888 HydrophobicContact CD1-CD2 3.86Å
863T80.2Confident69.1Low12 Ų1269.3 Ų69.37%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-111.1123.4178.4-55.30000110.4Q849 Q873 F874 D875Q849-T863 PolarHBondContact N-O 3.11Å; Q849-T863 VanDerWaalsContact N-O 3.08Å; T863-Q873 HydrophobicContact CG2-CB 4.04Å; T863-Q873 HydrophobicContact CG2-CG 4.34Å; T863-F874 CarbonylContact C-O 3.55Å; T863-F874 WeakPolarHBondContact CA-O 3.42Å; T863-D875 WeakPolarHBondContact CB-OD1 3.36Å; T863-D875 WeakPolarHBondContact CG2-OD1 3.28Å; T863-D875 PolarHBondContact OG1-OD1 3.5Å
864L78.8Confident69.9Low3 Ų362.8 Ų62.82%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-93.5122.3169.1-53.1175.8000108.7V841 Y846 I848 F874 L876V841-L864 HydrophobicContact CG1-CD1 4.38Å; Y846-L864 HydrophobicContact CD1-CB 3.81Å; Y846-L864 HydrophobicContact CG-CB 4.11Å; I848-L864 HydrophobicContact CG1-CD2 3.83Å; L864-F874 HydrophobicContact CB-CB 4.16Å; L864-F874 HydrophobicContact CD1-CD1 4.33Å; L864-F874 PolarHBondContact N-O 2.95Å; L864-F874 PolarHBondContact O-N 2.96Å; L864-L876 HydrophobicContact CD1-CD1 3.97Å; L864-L876 HydrophobicContact CG-CD1 4.34Å
865Q76.8Confident70.7Confident19 Ų1961.9 Ų61.99%0.08933%0.33CS..EExtended strand (participates in β ladder)trans-107.9129.5176.8-167.5-171.519.600110.3Y846 N847 Q849 D870 Q873Y846-Q865 CarbonylContact C-O 3.53Å; Y846-Q865 VanDerWaalsContact CA-O 3.29Å; Y846-Q865 WeakPolarHBondContact CA-O 3.4Å; Y846-Q865 VanDerWaalsContact CD1-C 3.49Å; N847-Q865 PolarHBondContact N-O 2.69Å; N847-Q865 PolarHBondContact O-N 2.97Å; Q849-Q865 HydrophobicContact CG-CB 4.32Å; Q865-D870 PolarHBondContact NE2-O 3.14Å; Q865-D870 PolarHBondContact NE2-OD1 3.24Å; Q865-D870 VanDerWaalsContact NE2-OD1 3.16Å; Q865-Q873 HydrophobicContact CG-CG 4.47Å
866H75.5Confident71.1Confident35 Ų3560.3 Ų60.316%0.16232%0.324CS..EExtended strand (participates in β ladder)trans-65.6138.2-178.8-166.8-96.1000111.5Y846 E868 Q869 V872Y846-H866 HydrophobicContact CD1-CB 4.1Å; Y846-H866 HydrophobicContact CE1-CB 3.86Å; Y846-H866 AromaticContact CE1-CD2 3.98Å; Y846-H866 AromaticContact CE2-CD2 3.91Å; Y846-H866 AromaticContact CZ-CD2 3.67Å; H866-E868 VanDerWaalsContact C-N 3.32Å; H866-E868 PolarHBondContact ND1-N 3.06Å; H866-E868 PolarHBondContact O-N 3.17Å; H866-Q869 HydrophobicContact CB-CB 4.47Å; H866-Q869 PolarHBondContact ND1-N 2.94Å; H866-V872 HydrophobicContact CB-CB 4.09Å; H866-V872 HydrophobicContact CB-CG1 4.42Å; H866-V872 PolarHBondContact N-O 3.31Å
867K69.4Low71.7Confident102 Ų10254.6 Ų54.644%0.44330%0.301SS..SBendtrans-66.6-28.4-175.2-76.5172.9178.2174.10114.2S844 M845 Y846 N847S844-K867 WeakPolarHBondContact O-CE 3.45Å; S844-K867 PolarHBondContact O-NZ 3.01Å; M845-K867 WeakPolarHBondContact O-CB 3.24Å; M845-K867 VanDerWaalsContact O-CG 3.28Å; M845-K867 WeakPolarHBondContact O-CG 3.31Å; M845-K867 PolarHBondContact O-N 3.43Å; Y846-K867 WeakPolarHBondContact O-CE 3.39Å; N847-K867 WeakPolarHBondContact OD1-CE 3.33Å
868E60.5Low72.3Confident169 Ų16950.8 Ų50.879%0.7926%0.262SS*.SBendtrans-110.6-11.7-174.2-59-174.1162.700114.4H866H866-E868 VanDerWaalsContact C-N 3.32Å; H866-E868 PolarHBondContact ND1-N 3.06Å; H866-E868 PolarHBondContact O-N 3.17Å
869Q58.8Low72.1Confident110 Ų11050 Ų5051%0.51428%0.275SS..  trans-133.199.2-175.4-69.7-177.81.700110.3H866 S871 V872H866-Q869 HydrophobicContact CB-CB 4.47Å; H866-Q869 PolarHBondContact ND1-N 2.94Å; Q869-S871 PolarHBondContact O-N 3.27Å; Q869-S871 VanDerWaalsContact O-N 3.11Å; Q869-V872 HydrophobicContact CB-CG2 4.05Å; Q869-V872 PolarHBondContact O-N 2.87Å
870D52.3Low72.5Confident133 Ų13348.5 Ų48.571%0.71127%0.266SS*.THydrogen-bonded Turntrans-62-21.5-173.9-93.8-29.5000114.6Q865Q865-D870 PolarHBondContact NE2-O 3.14Å; Q865-D870 PolarHBondContact NE2-OD1 3.24Å; Q865-D870 VanDerWaalsContact NE2-OD1 3.16Å
871S50.6Low72.2Confident109 Ų10950 Ų5076%0.76228%0.275SS*.THydrogen-bonded Turntrans-83.6-9.2-179.156.50000114.7Q869Q869-S871 PolarHBondContact O-N 3.27Å; Q869-S871 VanDerWaalsContact O-N 3.11Å
872V57.5Low72Confident24 Ų2457.4 Ų57.415%0.14531%0.31CS..  trans-99.3110-176.8-177.20000110H866 Q869H866-V872 HydrophobicContact CB-CB 4.09Å; H866-V872 HydrophobicContact CB-CG1 4.42Å; H866-V872 PolarHBondContact N-O 3.31Å; Q869-V872 HydrophobicContact CB-CG2 4.05Å; Q869-V872 PolarHBondContact O-N 2.87Å
873Q67.6Low71.7Confident91 Ų9159.6 Ų59.643%0.42532%0.32SS..EExtended strand (participates in β ladder)trans-122.7135176.5-65.8-175.6-1.100110.1T863 Q865T863-Q873 HydrophobicContact CG2-CB 4.04Å; T863-Q873 HydrophobicContact CG2-CG 4.34Å; Q865-Q873 HydrophobicContact CG-CG 4.47Å
874F74.3Confident71.6Confident25 Ų2559.1 Ų59.111%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-117.1112.3177.9-156.8-105.7000109.1I476 L496 Y498 V841 T863 L864 L876I476-F874 HydrophobicContact CD1-CE1 4.27Å; I476-F874 HydrophobicContact CD1-CZ 4.12Å; I476-F874 HydrophobicContact CG2-CE1 4.26Å; I476-F874 HydrophobicContact CG2-CE2 4.33Å; I476-F874 HydrophobicContact CG2-CZ 3.92Å; L496-F874 HydrophobicContact CD2-CE1 4.34Å; Y498-F874 HydrophobicContact CD1-CZ 4.37Å; Y498-F874 AromaticContact CE1-CZ 3.92Å; Y498-F874 HydrophobicContact CE1-CZ 3.92Å; V841-F874 HydrophobicContact CG2-CD1 4.35Å; V841-F874 HydrophobicContact CG2-CE1 3.9Å; V841-F874 HydrophobicContact CG2-CE2 4.14Å; V841-F874 HydrophobicContact CG2-CZ 3.8Å; T863-F874 CarbonylContact C-O 3.55Å; T863-F874 WeakPolarHBondContact CA-O 3.42Å; L864-F874 HydrophobicContact CB-CB 4.16Å; L864-F874 HydrophobicContact CD1-CD1 4.33Å; L864-F874 PolarHBondContact N-O 2.95Å; L864-F874 PolarHBondContact O-N 2.96Å; F874-L876 HydrophobicContact CD1-CD1 4.45Å; F874-L876 HydrophobicContact CD1-CD2 3.97Å; F874-L876 HydrophobicContact CD1-CG 4.1Å; F874-L876 HydrophobicContact CE1-CD2 3.7Å; F874-L876 HydrophobicContact CE1-CG 4.33Å
875D82.2Confident71.4Confident13 Ų1363.4 Ų63.47%0.0734%0.336CS..EExtended strand (participates in β ladder)trans-101.1121.8-174.5-69.8-46.6000111.1W477 W484 K855 V861 T863W477-D875 HydrophobicContact CB-CB 4.19Å; W477-D875 PolarHBondContact N-O 3.2Å; W484-D875 HydrophobicContact CH2-CB 4.1Å; K855-D875 WeakPolarHBondContact CE-OD2 3.17Å; K855-D875 IonicContact NZ-OD1 2.74Å; K855-D875 PolarHBondContact NZ-OD1 2.92Å; K855-D875 IonicContact NZ-OD2 3.54Å; K855-D875 PolarHBondContact NZ-OD2 3.19Å; V861-D875 HydrophobicContact CG1-CB 4.14Å; T863-D875 WeakPolarHBondContact CB-OD1 3.36Å; T863-D875 WeakPolarHBondContact CG2-OD1 3.28Å; T863-D875 PolarHBondContact OG1-OD1 3.5Å
876L82.4Confident71.3Confident6 Ų667.1 Ų67.13%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-118.2134.2-178.4-62.7171.4000110.1L474 D475 I476 L496 V861 L862 L864 F874L474-L876 HydrophobicContact CB-CD2 4.35Å; L474-L876 HydrophobicContact CD1-CD1 4.2Å; L474-L876 HydrophobicContact CD1-CD2 4.15Å; D475-L876 CarbonylContact O-C 3.51Å; I476-L876 HydrophobicContact CD1-CD2 4.09Å; I476-L876 HydrophobicContact CG1-CD2 3.78Å; L496-L876 HydrophobicContact CD2-CD1 4.11Å; V861-L876 CarbonylContact C-O 3.56Å; V861-L876 WeakPolarHBondContact CA-O 3.48Å; L862-L876 HydrophobicContact CB-CB 4.33Å; L862-L876 HydrophobicContact CD2-CD1 4.35Å; L862-L876 PolarHBondContact N-O 2.76Å; L862-L876 PolarHBondContact O-N 2.83Å; L864-L876 HydrophobicContact CD1-CD1 3.97Å; L864-L876 HydrophobicContact CG-CD1 4.34Å; F874-L876 HydrophobicContact CD1-CD1 4.45Å; F874-L876 HydrophobicContact CD1-CD2 3.97Å; F874-L876 HydrophobicContact CD1-CG 4.1Å; F874-L876 HydrophobicContact CE1-CD2 3.7Å; F874-L876 HydrophobicContact CE1-CG 4.33Å
877A83.6Confident71.4Confident0 Ų065.8 Ų65.80%035%0.347CS..EExtended strand (participates in β ladder)trans-127150.3173.600000110.7L474 D475 W484 K858 H860 V861L474-A877 CarbonylContact C-O 3.56Å; L474-A877 WeakPolarHBondContact CA-O 3.05Å; L474-A877 WeakPolarHBondContact CD2-O 3.33Å; D475-A877 HydrophobicContact CB-CB 4.15Å; D475-A877 PolarHBondContact N-O 3.17Å; D475-A877 PolarHBondContact O-N 2.97Å; W484-A877 HydrophobicContact CE3-CB 4.09Å; W484-A877 HydrophobicContact CH2-CB 3.98Å; W484-A877 HydrophobicContact CZ3-CB 3.72Å; K858-A877 HydrophobicContact CB-CB 4.29Å; K858-A877 HydrophobicContact CG-CB 4.47Å; H860-A877 WeakPolarHBondContact O-CA 3.23Å; H860-A877 VanDerWaalsContact O-CB 3.3Å; H860-A877 WeakPolarHBondContact O-CB 3.17Å; V861-A877 HydrophobicContact CG2-CB 4.15Å
878A80.8Confident71.9Confident8 Ų863.6 Ų63.67%0.06634%0.336CS..  trans-120.8168.4178.200000111.1L474 S880 E883 L884L474-A878 HydrophobicContact CD2-CB 3.99Å; A878-S880 VanDerWaalsContact C-N 3.25Å; A878-S880 PolarHBondContact O-N 2.78Å; A878-E883 HydrophobicContact CB-CB 4.15Å; A878-E883 HydrophobicContact CB-CG 4.04Å; A878-L884 HydrophobicContact CB-CB 3.84Å; A878-L884 HydrophobicContact CB-CD1 3.95Å
879G73.9Confident72.5Confident58 Ų5860 Ų6060%0.59832%0.319SS*.SBendtrans-69.4-23.5-179.200000113.4E883G879-E883 PolarHBondContact N-OE2 3.39Å; G879-E883 VanDerWaalsContact N-OE2 3.07Å
880S77Confident73.1Confident46 Ų4656 Ų5632%0.32230%0.303SS..SBendtrans-143162.5177.370.80000112.2A878 E882 E883 L884A878-S880 VanDerWaalsContact C-N 3.25Å; A878-S880 PolarHBondContact O-N 2.78Å; S880-E882 VanDerWaalsContact C-N 3.34Å; S880-E883 VanDerWaalsContact OG-CB 3.25Å; S880-E883 WeakPolarHBondContact OG-CB 3.47Å; S880-E883 PolarHBondContact OG-N 2.99Å; S880-E883 VanDerWaalsContact OG-N 3.15Å; S880-L884 PolarHBondContact O-N 3.32Å; S880-L884 VanDerWaalsContact O-N 3.11Å
881L73.2Confident74Confident82 Ų8250 Ų5043%0.42927%0.271SS..Hα-helixtrans-66-36.4175.2-175.565.1000112.3M851 L884 F885M851-L881 HydrophobicContact CE-CD1 3.53Å; L881-L884 PolarHBondContact O-N 3.11Å; L881-F885 WeakPolarHBondContact O-CB 3.47Å; L881-F885 PolarHBondContact O-N 2.81Å
882E75.5Confident75.1Confident157 Ų15749.6 Ų49.673%0.73425%0.253SS*.Hα-helixtrans-63.3-48.3177.8-68.4175.6179.700110.6S880 L884 F885 E886S880-E882 VanDerWaalsContact C-N 3.34Å; E882-L884 PolarHBondContact O-N 2.94Å; E882-F885 WeakPolarHBondContact O-CB 3.41Å; E882-F885 PolarHBondContact O-N 2.76Å; E882-E886 WeakPolarHBondContact O-CG 3.32Å; E882-E886 PolarHBondContact O-N 3.28Å
883E75.2Confident75.6Confident50 Ų5052.5 Ų52.523%0.23427%0.267CS..Hα-helixtrans-61.2-45.5177.3-174179.2-152.900111.5A878 G879 S880 F885 E886 W887A878-E883 HydrophobicContact CB-CB 4.15Å; A878-E883 HydrophobicContact CB-CG 4.04Å; G879-E883 PolarHBondContact N-OE2 3.39Å; G879-E883 VanDerWaalsContact N-OE2 3.07Å; S880-E883 VanDerWaalsContact OG-CB 3.25Å; S880-E883 WeakPolarHBondContact OG-CB 3.47Å; S880-E883 PolarHBondContact OG-N 2.99Å; S880-E883 VanDerWaalsContact OG-N 3.15Å; E883-F885 VanDerWaalsContact C-N 3.26Å; E883-F885 PolarHBondContact O-N 2.94Å; E883-E886 PolarHBondContact O-N 3.22Å; E883-W887 PolarHBondContact O-N 3.39Å; E883-W887 VanDerWaalsContact O-N 3.07Å
884L77.7Confident75.6Confident1 Ų148.1 Ų48.11%0.00525%0.247CC..Hα-helixtrans-60.8-37.3176.9-167.967.7000112H860 L862 A878 S880 L881 E882 W887 Y888H860-L884 HydrophobicContact CB-CD2 3.7Å; L862-L884 HydrophobicContact CB-CD1 3.81Å; L862-L884 HydrophobicContact CB-CD2 4.48Å; L862-L884 HydrophobicContact CB-CG 4.31Å; A878-L884 HydrophobicContact CB-CB 3.84Å; A878-L884 HydrophobicContact CB-CD1 3.95Å; S880-L884 PolarHBondContact O-N 3.32Å; S880-L884 VanDerWaalsContact O-N 3.11Å; L881-L884 PolarHBondContact O-N 3.11Å; E882-L884 PolarHBondContact O-N 2.94Å; L884-W887 PolarHBondContact O-N 3.13Å; L884-Y888 WeakPolarHBondContact O-CB 3.28Å; L884-Y888 PolarHBondContact O-N 3.42Å
885F74.8Confident75.3Confident94 Ų9447.9 Ų47.941%0.41225%0.248SC..Hα-helixtrans-68.7-38.5178.5-174.4-106.8000112.1M851 L881 E882 E883 W887 Y888 Q889M851-F885 HydrophobicContact SD-CD2 4.38Å; L881-F885 WeakPolarHBondContact O-CB 3.47Å; L881-F885 PolarHBondContact O-N 2.81Å; E882-F885 WeakPolarHBondContact O-CB 3.41Å; E882-F885 PolarHBondContact O-N 2.76Å; E883-F885 VanDerWaalsContact C-N 3.26Å; E883-F885 PolarHBondContact O-N 2.94Å; F885-W887 VanDerWaalsContact C-N 3.34Å; F885-Y888 HydrophobicContact CD2-CD1 4.22Å; F885-Y888 HydrophobicContact CE2-CD1 4.21Å; F885-Y888 WeakPolarHBondContact O-CB 3.33Å; F885-Y888 PolarHBondContact O-N 3.45Å; F885-Q889 HydrophobicContact CD1-CG 4.3Å; F885-Q889 HydrophobicContact CE1-CG 4.02Å; F885-Q889 HydrophobicContact CZ-CG 4.23Å; F885-Q889 WeakPolarHBondContact O-CG 3.19Å; F885-Q889 PolarHBondContact O-N 2.92Å
886E75.2Confident74.4Confident97 Ų9750.5 Ų50.545%0.45326%0.259SS..Hα-helixtrans-63.8-39.9172.9-66.8177.3172.200112K470 E882 E883 Q889 V890K470-E886 HydrophobicContact CD-CB 4.32Å; K470-E886 IonicContact NZ-OE2 3.72Å; K470-E886 PolarHBondContact NZ-OE2 3.11Å; E882-E886 WeakPolarHBondContact O-CG 3.32Å; E882-E886 PolarHBondContact O-N 3.28Å; E883-E886 PolarHBondContact O-N 3.22Å; E886-Q889 PolarHBondContact O-N 2.96Å; E886-V890 WeakPolarHBondContact O-CG2 3.17Å; E886-V890 PolarHBondContact O-N 3.33Å
887W76.9Confident73.3Confident6 Ų654.8 Ų54.82%0.02328%0.275CS..Hα-helixtrans-63.8-42.6173.4-79.2107.6000111.9K470 L474 C489 I491 L496 E883 L884 F885 V890 A891K470-W887 HydrophobicContact CB-CE3 4.48Å; K470-W887 HydrophobicContact CB-CZ3 4.37Å; K470-W887 HydrophobicContact CD-CB 4.44Å; K470-W887 HydrophobicContact CD-CD2 3.61Å; K470-W887 HydrophobicContact CD-CE3 3.92Å; K470-W887 HydrophobicContact CD-CG 3.86Å; K470-W887 HydrophobicContact CD-CZ3 4.48Å; K470-W887 VanDerWaalsContact CE-CG 3.41Å; K470-W887 HydrophobicContact CG-CD2 4.12Å; K470-W887 HydrophobicContact CG-CE3 4.17Å; K470-W887 HydrophobicContact CG-CH2 4.25Å; K470-W887 HydrophobicContact CG-CZ2 4.18Å; K470-W887 HydrophobicContact CG-CZ3 4.24Å; L474-W887 HydrophobicContact CD1-CD2 3.8Å; L474-W887 HydrophobicContact CD1-CE3 3.86Å; L474-W887 HydrophobicContact CD1-CG 4.28Å; L474-W887 HydrophobicContact CD1-CH2 4.29Å; L474-W887 HydrophobicContact CD1-CZ2 4.24Å; L474-W887 HydrophobicContact CD1-CZ3 4.09Å; L474-W887 HydrophobicContact CD2-CD2 4.23Å; L474-W887 HydrophobicContact CD2-CG 4.01Å; L474-W887 HydrophobicContact CG-CD2 4.18Å; L474-W887 HydrophobicContact CG-CG 4.48Å; L474-W887 HydrophobicContact CG-CZ2 4.21Å; C489-W887 HydrophobicContact CB-CH2 3.73Å; C489-W887 HydrophobicContact CB-CZ2 4.36Å; C489-W887 HydrophobicContact CB-CZ3 4.27Å; C489-W887 WeakPolarHBondContact O-CH2 3.4Å; I491-W887 HydrophobicContact CD1-CE3 3.64Å; I491-W887 HydrophobicContact CD1-CZ3 3.62Å; I491-W887 HydrophobicContact CG1-CE3 4.37Å; I491-W887 HydrophobicContact CG1-CZ3 3.82Å; L496-W887 HydrophobicContact CD1-CZ3 4.13Å; E883-W887 PolarHBondContact O-N 3.39Å; E883-W887 VanDerWaalsContact O-N 3.07Å; L884-W887 PolarHBondContact O-N 3.13Å; F885-W887 VanDerWaalsContact C-N 3.34Å; W887-V890 PolarHBondContact O-N 3.39Å; W887-A891 WeakPolarHBondContact O-CB 3.46Å; W887-A891 PolarHBondContact O-N 3.41Å
888Y79.6Confident71.8Confident57 Ų5759.6 Ų59.622%0.22430%0.297CS..Hα-helixtrans-59.1-45.9173.6167.7-96.3000112I848 L862 L884 F885 V890 A891 W892I848-Y888 HydrophobicContact CB-CE2 4.37Å; I848-Y888 HydrophobicContact CD1-CD2 4.46Å; I848-Y888 HydrophobicContact CD1-CE2 4.46Å; I848-Y888 HydrophobicContact CG2-CD2 3.69Å; I848-Y888 HydrophobicContact CG2-CE2 3.57Å; L862-Y888 HydrophobicContact CD1-CD2 3.86Å; L884-Y888 WeakPolarHBondContact O-CB 3.28Å; L884-Y888 PolarHBondContact O-N 3.42Å; F885-Y888 HydrophobicContact CD2-CD1 4.22Å; F885-Y888 HydrophobicContact CE2-CD1 4.21Å; F885-Y888 WeakPolarHBondContact O-CB 3.33Å; F885-Y888 PolarHBondContact O-N 3.45Å; Y888-V890 PolarHBondContact O-N 3.02Å; Y888-A891 PolarHBondContact O-N 2.99Å; Y888-W892 HydrophobicContact CE1-CB 4.46Å; Y888-W892 HydrophobicContact CE2-CE3 4.01Å; Y888-W892 AromaticContact CZ-CE3 3.84Å; Y888-W892 WeakPolarHBondContact O-CB 3.46Å; Y888-W892 PolarHBondContact O-N 3.42Å; Y888-W892 VanDerWaalsContact OH-CE3 3.27Å
889Q72.8Confident70.2Confident92 Ų9266.1 Ų66.143%0.4333%0.328SS..Hα-helixtrans-60.6-45.3-179.7-77.8-175.7-26.200112.2F885 E886 W892 D893F885-Q889 HydrophobicContact CD1-CG 4.3Å; F885-Q889 HydrophobicContact CE1-CG 4.02Å; F885-Q889 HydrophobicContact CZ-CG 4.23Å; F885-Q889 WeakPolarHBondContact O-CG 3.19Å; F885-Q889 PolarHBondContact O-N 2.92Å; E886-Q889 PolarHBondContact O-N 2.96Å; Q889-W892 PolarHBondContact O-N 3.49Å; Q889-D893 WeakPolarHBondContact O-CB 3.3Å; Q889-D893 PolarHBondContact O-N 3.15Å
890V72.6Confident69.1Low28 Ų2866.4 Ų66.417%0.1732%0.321CS..Hα-helixtrans-67.1-43.5179.51760000111.1K470 I491 E886 W887 Y888 V894K470-V890 HydrophobicContact CB-CB 4.38Å; K470-V890 HydrophobicContact CB-CG1 4.18Å; K470-V890 HydrophobicContact CB-CG2 4.06Å; K470-V890 HydrophobicContact CD-CG2 4.15Å; I491-V890 HydrophobicContact CB-CG1 4.46Å; I491-V890 HydrophobicContact CD1-CG1 4.14Å; I491-V890 HydrophobicContact CG2-CG1 4.14Å; E886-V890 WeakPolarHBondContact O-CG2 3.17Å; E886-V890 PolarHBondContact O-N 3.33Å; W887-V890 PolarHBondContact O-N 3.39Å; Y888-V890 PolarHBondContact O-N 3.02Å; V890-V894 VanDerWaalsContact O-CG2 3.28Å; V890-V894 WeakPolarHBondContact O-CG2 3.25Å; V890-V894 PolarHBondContact O-N 3.16Å; V890-V894 VanDerWaalsContact O-N 3.14Å
891A71.1Confident67.8Low5 Ų570.1 Ų70.14%0.04133%0.332CS..Hα-helixtrans-64.8-38.7175.600000112.2I843 I848 W887 Y888 V894 T895I843-A891 HydrophobicContact CD1-CB 4.5Å; I843-A891 HydrophobicContact CG2-CB 4.07Å; I848-A891 HydrophobicContact CD1-CB 3.73Å; W887-A891 WeakPolarHBondContact O-CB 3.46Å; W887-A891 PolarHBondContact O-N 3.41Å; Y888-A891 PolarHBondContact O-N 2.99Å; A891-V894 WeakPolarHBondContact O-CB 3.25Å; A891-V894 PolarHBondContact O-N 2.88Å; A891-T895 WeakPolarHBondContact O-CG2 3.49Å; A891-T895 PolarHBondContact O-N 2.68Å; A891-T895 VanDerWaalsContact O-N 3.15Å
892W73.1Confident66.4Low101 Ų10174.9 Ų74.938%0.38335%0.352SS..Hα-helixtrans-66-47.6177.2-177.8-90.9000111.4I848 Y888 Q889 V894 T895 Q896I848-W892 HydrophobicContact CB-CE3 4.41Å; I848-W892 HydrophobicContact CD1-CB 4.1Å; I848-W892 HydrophobicContact CD1-CE3 4.25Å; Y888-W892 HydrophobicContact CE1-CB 4.46Å; Y888-W892 HydrophobicContact CE2-CE3 4.01Å; Y888-W892 AromaticContact CZ-CE3 3.84Å; Y888-W892 WeakPolarHBondContact O-CB 3.46Å; Y888-W892 PolarHBondContact O-N 3.42Å; Y888-W892 VanDerWaalsContact OH-CE3 3.27Å; Q889-W892 PolarHBondContact O-N 3.49Å; W892-V894 VanDerWaalsContact C-N 3.27Å; W892-V894 PolarHBondContact O-N 3.46Å; W892-T895 PolarHBondContact O-N 3.45Å; W892-T895 PolarHBondContact O-OG1 3.45Å; W892-Q896 WeakPolarHBondContact O-CG 3.27Å; W892-Q896 PolarHBondContact O-N 3.23Å; W892-Q896 VanDerWaalsContact O-N 3.09Å
893D68.1Low64.7Low85 Ų8576.5 Ų76.546%0.45535%0.353SS..Hα-helixtrans-57.2-41.1176.7-78.4-8.1000111.5Q889 Q896 R897Q889-D893 WeakPolarHBondContact O-CB 3.3Å; Q889-D893 PolarHBondContact O-N 3.15Å; D893-Q896 PolarHBondContact O-N 2.84Å; D893-R897 VanDerWaalsContact O-CG 3.31Å; D893-R897 WeakPolarHBondContact O-CG 3.42Å; D893-R897 PolarHBondContact O-N 2.83Å
894V68.3Low63.5Low0 Ų079.3 Ų79.30%037%0.365CS..Hα-helixtrans-57.4-48.3173165.30000111.3I491 D494 I843 V890 A891 W892 Q896 R897I491-V894 HydrophobicContact CG2-CG2 4.48Å; D494-V894 HydrophobicContact CB-CG1 3.56Å; D494-V894 WeakPolarHBondContact OD1-CG1 3.4Å; I843-V894 HydrophobicContact CB-CG1 4Å; I843-V894 HydrophobicContact CG2-CG1 4.19Å; V890-V894 VanDerWaalsContact O-CG2 3.28Å; V890-V894 WeakPolarHBondContact O-CG2 3.25Å; V890-V894 PolarHBondContact O-N 3.16Å; V890-V894 VanDerWaalsContact O-N 3.14Å; A891-V894 WeakPolarHBondContact O-CB 3.25Å; A891-V894 PolarHBondContact O-N 2.88Å; W892-V894 VanDerWaalsContact C-N 3.27Å; W892-V894 PolarHBondContact O-N 3.46Å; V894-Q896 PolarHBondContact O-N 3.48Å; V894-R897 PolarHBondContact O-N 2.83Å
895T68.1Low61.9Low20 Ų2087.4 Ų87.412%0.12340%0.396CS..Hα-helixtrans-65.7-23.2179.262.80000114.3I843 I848 A891 W892I843-T895 HydrophobicContact CG2-CG2 4.15Å; I848-T895 HydrophobicContact CD1-CG2 4.47Å; A891-T895 WeakPolarHBondContact O-CG2 3.49Å; A891-T895 PolarHBondContact O-N 2.68Å; A891-T895 VanDerWaalsContact O-N 3.15Å; W892-T895 PolarHBondContact O-N 3.45Å; W892-T895 PolarHBondContact O-OG1 3.45Å
896Q61.8Low60.2Low67 Ų6791.1 Ų91.131%0.31342%0.415SS..Hα-helixtrans-93.6-23.1-178.1-63.8-62.8-4200113.9W892 D893 V894 E898 M899W892-Q896 WeakPolarHBondContact O-CG 3.27Å; W892-Q896 PolarHBondContact O-N 3.23Å; W892-Q896 VanDerWaalsContact O-N 3.09Å; D893-Q896 PolarHBondContact O-N 2.84Å; V894-Q896 PolarHBondContact O-N 3.48Å; Q896-E898 VanDerWaalsContact C-N 3.26Å; Q896-E898 PolarHBondContact O-N 3.45Å; Q896-M899 PolarHBondContact O-N 3.28Å; Q896-M899 VanDerWaalsContact O-N 3.1Å
897R60.3Low58.4Low97 Ų9792.5 Ų92.537%0.36642%0.421SS..Hα-helixtrans-57.8-34.2-179.9-84.5171.5-165.3154.75.9113.4D494 D893 V894 M899 S900D494-R897 IonicContact OD1-NH1 3.19Å; D893-R897 VanDerWaalsContact O-CG 3.31Å; D893-R897 WeakPolarHBondContact O-CG 3.42Å; D893-R897 PolarHBondContact O-N 2.83Å; V894-R897 PolarHBondContact O-N 2.83Å; R897-M899 PolarHBondContact O-N 2.62Å; R897-S900 PolarHBondContact O-N 3.16Å
898E52Low56.9Low100 Ų10097 Ų9747%0.46744%0.442SS..THydrogen-bonded Turntrans-58.6-35.1177.1-139.176-127.400112.3Q896 K901Q896-E898 VanDerWaalsContact C-N 3.26Å; Q896-E898 PolarHBondContact O-N 3.45Å; E898-K901 IonicContact OE1-NZ 3.82Å; E898-K901 PolarHBondContact OE1-NZ 2.94Å
899M46.8Very low54.9Low145 Ų145101.1 Ų101.171%0.71447%0.465SS*.THydrogen-bonded Turntrans-81.2-15.9-176.9-66.5-155.3-6200114.2Q896 R897Q896-M899 PolarHBondContact O-N 3.28Å; Q896-M899 VanDerWaalsContact O-N 3.1Å; R897-M899 PolarHBondContact O-N 2.62Å
900S51.9Low53.3Low65 Ų65105.1 Ų105.146%0.45548%0.481SS..  trans-1128.4-169.4-60.30000115.3R897 Q902 Y903R897-S900 PolarHBondContact O-N 3.16Å; S900-Q902 PolarHBondContact O-N 3.32Å; S900-Y903 PolarHBondContact O-N 3.32Å
901K49.5Very low51.6Low124 Ų124109.6 Ų109.654%0.53950%0.5SS..THydrogen-bonded Turntrans-59.72.5-175.3-79.8177.1176172.60116.8E898 R905E898-K901 IonicContact OE1-NZ 3.82Å; E898-K901 PolarHBondContact OE1-NZ 2.94Å; K901-R905 PolarHBondContact O-NH2 2.73Å; K901-R905 VanDerWaalsContact O-NH2 3.11Å
902Q42.7Very low49.9Very low181 Ų181115.1 Ų115.185%0.84653%0.525SS*.THydrogen-bonded Turntrans-114.8-14.7-172.6-150.3136.7-5.600115.1S900S900-Q902 PolarHBondContact O-N 3.32Å
903Y41.2Very low48.1Very low192 Ų192118.4 Ų118.475%0.75355%0.545SS*.THydrogen-bonded Turntrans-101.1-23.2-176.7-160.1-103.6000114.2S900S900-Y903 PolarHBondContact O-N 3.32Å
904H48.9Very low46.6Very low108 Ų108122.2 Ų122.250%0.556%0.56SS.*THydrogen-bonded Turntrans-82-15.3-172.6-81-70.6000115.9E906 E908H904-E906 VanDerWaalsContact C-N 3.34Å; H904-E906 PolarHBondContact O-N 3.46Å; H904-E908 WeakPolarHBondContact O-CG 3.27Å; H904-E908 PolarHBondContact O-N 2.81Å
905R44.2Very low45.3Very low172 Ų172127.7 Ų127.765%0.64959%0.593SS**Hα-helixtrans-69.6-22.6-172.6-105.8-179.6-85.4179.4-5.7115.2K901K901-R905 PolarHBondContact O-NH2 2.73Å; K901-R905 VanDerWaalsContact O-NH2 3.11Å
906E38.7Very low44Very low172 Ų172134 Ų13480%0.80462%0.621SS**Hα-helixtrans-94.6-21.9-177.3-75.6-176.1165.200113.9H904H904-E906 VanDerWaalsContact C-N 3.34Å; H904-E906 PolarHBondContact O-N 3.46Å
907Q38.9Very low42.9Very low125 Ų125139.8 Ų139.858%0.58465%0.645SS**Hα-helixtrans-83.5-32.2173.7-74.7-160.6-2300112.3M909 K910 Q911Q907-M909 VanDerWaalsContact C-N 3.31Å; Q907-M909 PolarHBondContact O-N 3.16Å; Q907-K910 PolarHBondContact O-N 3.36Å; Q907-Q911 PolarHBondContact O-N 2.79Å
908E43.4Very low42.1Very low101 Ų101141.5 Ų141.547%0.47266%0.655SS.*Hα-helixtrans-60.5-37.3177.3-76.1170169.800112.4H904 K910 Q911 Q912H904-E908 WeakPolarHBondContact O-CG 3.27Å; H904-E908 PolarHBondContact O-N 2.81Å; E908-K910 PolarHBondContact O-N 2.62Å; E908-Q911 CarbonylContact O-C 3.41Å; E908-Q911 WeakPolarHBondContact O-CB 3.3Å; E908-Q911 PolarHBondContact O-N 2.8Å; E908-Q912 WeakPolarHBondContact O-CB 3.46Å; E908-Q912 PolarHBondContact O-N 3.12Å
909M38.4Very low41.8Very low143 Ų143139.7 Ų139.770%0.70466%0.657SS**Hα-helixtrans-70.8-29.5-178.4-72.8-130.6-66.300114.5Q907Q907-M909 VanDerWaalsContact C-N 3.31Å; Q907-M909 PolarHBondContact O-N 3.16Å
910K38.7Very low42.7Very low176 Ų176139.8 Ų139.877%0.76566%0.656SS**Hα-helixtrans-76.8-28.8171.5-81.9-176.5176.2177.40112.2Q907 E908Q907-K910 PolarHBondContact O-N 3.36Å; E908-K910 PolarHBondContact O-N 2.62Å
911Q37.8Very low43.7Very low122 Ų122137.7 Ų137.757%0.5764%0.641SS**Hα-helixtrans-77.5-27.6177.2-145.5129.626.700111.6Q907 E908 V915Q907-Q911 PolarHBondContact O-N 2.79Å; E908-Q911 CarbonylContact O-C 3.41Å; E908-Q911 WeakPolarHBondContact O-CB 3.3Å; E908-Q911 PolarHBondContact O-N 2.8Å; Q911-V915 WeakPolarHBondContact O-CG2 3.36Å
912Q34.6Very low44.9Very low121 Ų121132 Ų13257%0.56562%0.616SS**Hα-helixtrans-67.1-35.8-179.9-15295.81800113.3E908 V915E908-Q912 WeakPolarHBondContact O-CB 3.46Å; E908-Q912 PolarHBondContact O-N 3.12Å; Q912-V915 WeakPolarHBondContact O-CB 3.46Å; Q912-V915 PolarHBondContact O-N 2.74Å
913E35.2Very low46.4Very low170 Ų170127.2 Ų127.279%0.79460%0.595SS**THydrogen-bonded Turntrans-81.9-18.2-177.4-74.3-175150.900113.1
914E37.1Very low48.4Very low165 Ų165121.3 Ų121.377%0.77157%0.574SS**THydrogen-bonded Turntrans-79.2-20.5170.5-73.5-172.2152.300112.8E916E914-E916 VanDerWaalsContact C-N 3.31Å; E914-E916 PolarHBondContact O-N 3.01Å
915V40.8Very low50.1Low115 Ų115116.1 Ų116.170%0.69755%0.55SS**THydrogen-bonded Turntrans-74.1-16.1-176.3165.90000113.3Q911 Q912Q911-V915 WeakPolarHBondContact O-CG2 3.36Å; Q912-V915 WeakPolarHBondContact O-CB 3.46Å; Q912-V915 PolarHBondContact O-N 2.74Å
916E40.3Very low51.9Low153 Ų153108 Ų10872%0.71552%0.52SS*.THydrogen-bonded Turntrans-94.46.4-162.6-68.1-167.1152.100117.2E914E914-E916 VanDerWaalsContact C-N 3.31Å; E914-E916 PolarHBondContact O-N 3.01Å
917K39.8Very low53.9Low188 Ų188104 Ų10482%0.81750%0.504SS*.SBendtrans-135.188.6-173.3-74.4-179.2178.8168.50118.3
918K43.8Very low56.3Low134 Ų13498.2 Ų98.258%0.58348%0.477SS*.  trans67145.8145.9-62.7-177.7173.6-176.50120.3E457E457-K918 VanDerWaalsContact O-CD 3.28Å; E457-K918 WeakPolarHBondContact O-CD 3.25Å; E457-K918 WeakPolarHBondContact O-CE 3.24Å; E457-K918 PolarHBondContact O-NZ 3.29Å
919A45.2Very low58.4Low61 Ų6193.4 Ų93.450%0.50446%0.455SS..  cis-158.4153.7-14.500000109.9
920E66.4Low60.8Low148 Ų14887 Ų8769%0.69242%0.423SS*.  trans-125.531.6-145.1-98.5177.7-176.900117.9
921V71.8Confident63.1Low21 Ų2178.7 Ų78.713%0.12739%0.387CS..  trans-148.1141.6-173.9-176.50000112.1K452 V454 M925K452-V921 HydrophobicContact CB-CG2 3.48Å; K452-V921 VanDerWaalsContact CB-CG2 3.48Å; K452-V921 HydrophobicContact CD-CG2 3.84Å; K452-V921 HydrophobicContact CG-CG2 4.33Å; V454-V921 HydrophobicContact CG2-CB 3.67Å; V454-V921 HydrophobicContact CG2-CG1 4.31Å; V454-V921 HydrophobicContact CG2-CG2 4.47Å; V921-M925 HydrophobicContact CG1-CB 4.48Å
922A75.5Confident65.6Low4 Ų473 Ų733%0.03336%0.361CS..  trans-64.6133.7172.900000111.8I407 Q410 R411 E924 M925 S926I407-A922 HydrophobicContact CG2-CB 4.15Å; Q410-A922 HydrophobicContact CB-CB 3.77Å; R411-A922 HydrophobicContact CG-CB 4.36Å; A922-E924 VanDerWaalsContact C-N 3.26Å; A922-E924 PolarHBondContact O-N 3.22Å; A922-M925 HydrophobicContact CB-CB 4.44Å; A922-M925 PolarHBondContact O-N 2.81Å; A922-M925 VanDerWaalsContact O-N 3.13Å; A922-S926 PolarHBondContact O-N 3.4Å
923M74.2Confident68.2Low80 Ų8068.4 Ų68.439%0.39434%0.339SS..Hα-helixtrans-58.1-40.4179.8-77.4-60.8-5600111.9V454 M925 S926 D927V454-M923 HydrophobicContact CB-SD 4.04Å; V454-M923 HydrophobicContact CG1-SD 4.12Å; V454-M923 HydrophobicContact CG2-SD 4.44Å; M923-M925 VanDerWaalsContact C-N 3.25Å; M923-M925 PolarHBondContact O-N 2.88Å; M923-S926 WeakPolarHBondContact O-CB 3.39Å; M923-S926 PolarHBondContact O-N 3.36Å; M923-S926 VanDerWaalsContact O-N 3.09Å; M923-D927 WeakPolarHBondContact O-CB 3.41Å; M923-D927 PolarHBondContact O-N 3.35Å
924E82.6Confident70.6Confident68 Ų6861.4 Ų61.432%0.31831%0.309SS..Hα-helixtrans-62.6-31.4-179.7-60.290.6148.700112.9R411 A414 A922 L928R411-E924 WeakPolarHBondContact CD-OE1 3.2Å; R411-E924 IonicContact NE-OE1 3.17Å; R411-E924 PolarHBondContact NE-OE1 2.93Å; R411-E924 IonicContact NE-OE2 3.66Å; A414-E924 HydrophobicContact CB-CB 3.84Å; A922-E924 VanDerWaalsContact C-N 3.26Å; A922-E924 PolarHBondContact O-N 3.22Å; E924-L928 WeakPolarHBondContact O-CG 3.34Å
925M84.9Confident72.5Confident0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-77.8-43.1171.8-82.1-60.5-65.400111.4I401 Q410 M413 A414 F417 V921 A922 M923 D927 L928I401-M925 HydrophobicContact CD1-CE 3.96Å; Q410-M925 HydrophobicContact CB-CG 4.08Å; Q410-M925 VanDerWaalsContact O-CG 3.23Å; Q410-M925 WeakPolarHBondContact O-CG 3.38Å; M413-M925 HydrophobicContact CB-SD 4Å; M413-M925 HydrophobicContact CE-CE 4.41Å; A414-M925 HydrophobicContact CB-CG 3.97Å; A414-M925 HydrophobicContact CB-SD 3.66Å; A414-M925 PolarHBondContact N-SD 2.91Å; F417-M925 HydrophobicContact CD2-CE 4.36Å; F417-M925 HydrophobicContact CD2-SD 4.18Å; F417-M925 HydrophobicContact CE2-CE 4Å; F417-M925 HydrophobicContact CE2-SD 4.34Å; V921-M925 HydrophobicContact CG1-CB 4.48Å; A922-M925 HydrophobicContact CB-CB 4.44Å; A922-M925 PolarHBondContact O-N 2.81Å; A922-M925 VanDerWaalsContact O-N 3.13Å; M923-M925 VanDerWaalsContact C-N 3.25Å; M923-M925 PolarHBondContact O-N 2.88Å; M925-D927 VanDerWaalsContact C-N 3.29Å; M925-D927 PolarHBondContact O-N 3.33Å; M925-L928 PolarHBondContact O-N 3.3Å
926S82.1Confident73.6Confident1 Ų155.3 Ų55.31%0.00728%0.277CS..Hα-helixtrans-60.3-37.1178.5173.70000112.8K453 V454 A922 M923 L928 V929K453-S926 WeakPolarHBondContact CG-OG 3.43Å; V454-S926 PolarHBondContact N-OG 3.25Å; A922-S926 PolarHBondContact O-N 3.4Å; M923-S926 WeakPolarHBondContact O-CB 3.39Å; M923-S926 PolarHBondContact O-N 3.36Å; M923-S926 VanDerWaalsContact O-N 3.09Å; S926-L928 VanDerWaalsContact C-N 3.25Å; S926-L928 PolarHBondContact O-N 3.09Å; S926-V929 PolarHBondContact O-N 3.17Å; S926-V929 VanDerWaalsContact O-N 3.14Å
927D81.4Confident74.5Confident88 Ų8857.9 Ų57.947%0.47129%0.286SS..THydrogen-bonded Turntrans-65.5-28.9179.4-70.6-16.1000112.3M923 M925 V929M923-D927 WeakPolarHBondContact O-CB 3.41Å; M923-D927 PolarHBondContact O-N 3.35Å; M925-D927 VanDerWaalsContact C-N 3.29Å; M925-D927 PolarHBondContact O-N 3.33Å; D927-V929 VanDerWaalsContact C-N 3.26Å; D927-V929 PolarHBondContact O-N 2.9Å
928L87.9Confident75.4Confident4 Ų453.5 Ų53.52%0.02127%0.269CS..THydrogen-bonded Turntrans-76.4-11.1176.7-63177000113.3A414 F417 K418 L425 A427 L449 E924 M925 S926 V930A414-L928 HydrophobicContact CB-CD1 4.06Å; F417-L928 HydrophobicContact CB-CD1 4.24Å; K418-L928 HydrophobicContact CD-CD2 4.39Å; K418-L928 HydrophobicContact CG-CD1 4.48Å; K418-L928 HydrophobicContact CG-CD2 4.06Å; L425-L928 HydrophobicContact CD2-CD1 4.23Å; L425-L928 HydrophobicContact CD2-CD2 3.69Å; L425-L928 HydrophobicContact CD2-CG 4.49Å; L425-L928 HydrophobicContact CG-CD2 4.49Å; A427-L928 HydrophobicContact CB-CD2 4.43Å; L449-L928 HydrophobicContact CD1-CB 3.79Å; L449-L928 HydrophobicContact CD1-CD1 4.06Å; E924-L928 WeakPolarHBondContact O-CG 3.34Å; M925-L928 PolarHBondContact O-N 3.3Å; S926-L928 VanDerWaalsContact C-N 3.25Å; S926-L928 PolarHBondContact O-N 3.09Å; L928-V930 PolarHBondContact O-N 2.96Å
929V88.6Confident76.4Confident0 Ų050.1 Ų50.10%025%0.254CS..  trans-90.6100179.9-174.10000109.8H451 K453 S926 D927 Y931 Q933H451-V929 HydrophobicContact CB-CG2 3.75Å; H451-V929 WeakPolarHBondContact O-CG1 3.33Å; H451-V929 WeakPolarHBondContact O-CG2 3.32Å; K453-V929 HydrophobicContact CB-CB 4.44Å; K453-V929 HydrophobicContact CB-CG1 4.42Å; K453-V929 WeakPolarHBondContact CD-O 3.49Å; K453-V929 PolarHBondContact NZ-O 2.83Å; S926-V929 PolarHBondContact O-N 3.17Å; S926-V929 VanDerWaalsContact O-N 3.14Å; D927-V929 VanDerWaalsContact C-N 3.26Å; D927-V929 PolarHBondContact O-N 2.9Å; V929-Y931 WeakPolarHBondContact CG1-O 3.46Å; V929-Q933 HydrophobicContact CG1-CG 3.98Å
930V87.4Confident77.3Confident8 Ų850.9 Ų50.95%0.04825%0.25CC..SBendtrans-89-69.1-178.7-179.40000111.8L426 A427 P429 L928 Q933L426-V930 HydrophobicContact CD2-CB 4.3Å; L426-V930 HydrophobicContact CD2-CG1 4.42Å; L426-V930 HydrophobicContact CG-CG2 4.46Å; L426-V930 WeakPolarHBondContact O-CG2 3.49Å; A427-V930 VanDerWaalsContact O-CG2 3.31Å; A427-V930 WeakPolarHBondContact O-CG2 3.41Å; P429-V930 HydrophobicContact CB-CG1 4.07Å; P429-V930 HydrophobicContact CG-CG1 3.86Å; L928-V930 PolarHBondContact O-N 2.96Å; V930-Q933 PolarHBondContact O-NE2 2.84Å
931Y88.6Confident77.6Confident2 Ų251.2 Ų51.21%0.00824%0.244CC..SBendtrans-95-148.3171.9-55.2-65.5000108.6L426 V430 L437 P438 V929 Q933 Y947 K948L426-Y931 HydrophobicContact CD2-CD2 3.64Å; L426-Y931 HydrophobicContact CD2-CE2 3.67Å; V430-Y931 HydrophobicContact CG2-CE2 4.45Å; V430-Y931 PolarHBondContact N-OH 2.91Å; L437-Y931 HydrophobicContact CD2-CD1 3.79Å; L437-Y931 HydrophobicContact CD2-CG 3.97Å; P438-Y931 HydrophobicContact CG-CE1 4.28Å; P438-Y931 HydrophobicContact CG-CE2 3.66Å; P438-Y931 VanDerWaalsContact CG-CZ 3.48Å; P438-Y931 VanDerWaalsContact CG-OH 3.23Å; P438-Y931 WeakPolarHBondContact CG-OH 3.48Å; V929-Y931 WeakPolarHBondContact CG1-O 3.46Å; Y931-Q933 WeakPolarHBondContact O-CG 3.41Å; Y931-Q933 PolarHBondContact O-N 2.78Å; Y931-Y947 HydrophobicContact CD1-CE2 4.26Å; Y931-Y947 AromaticContact CE1-CE2 3.98Å; Y931-Y947 HydrophobicContact CE1-CE2 3.98Å; Y931-K948 CarbonylContact C-O 3.51Å; Y931-K948 HydrophobicContact CD1-CB 4.46Å; Y931-K948 HydrophobicContact CD1-CD 4.46Å; Y931-K948 HydrophobicContact CD1-CG 4.02Å
932C90.2Very high78Confident1 Ų151.1 Ų51.11%0.00724%0.243CC..  trans37.339.9171.4-61.60000115.7I448 K450 P934 K948 V950I448-C932 HydrophobicContact CG2-CB 4.27Å; K450-C932 HydrophobicContact CB-CB 3.84Å; K450-C932 HydrophobicContact CG-CB 4.36Å; C932-P934 VanDerWaalsContact O-CD 3.23Å; C932-P934 WeakPolarHBondContact O-CD 3.23Å; C932-K948 PolarHBondContact N-O 3.07Å; C932-V950 VanDerWaalsContact C-CG1 3.44Å; C932-V950 HydrophobicContact CB-CG1 4.39Å; C932-V950 VanDerWaalsContact O-CG1 3.29Å; C932-V950 WeakPolarHBondContact O-CG1 3.33Å
933Q89.4Confident77.9Confident25 Ų2558.2 Ų58.212%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-81.9111.8-174.4-58.6-179.16.400109.4K453 V929 V930 Y931 R935 K948 E949 V950K453-Q933 HydrophobicContact CD-CG 4.15Å; V929-Q933 HydrophobicContact CG1-CG 3.98Å; V930-Q933 PolarHBondContact O-NE2 2.84Å; Y931-Q933 WeakPolarHBondContact O-CG 3.41Å; Y931-Q933 PolarHBondContact O-N 2.78Å; Q933-R935 PolarHBondContact O-N 3.06Å; Q933-K948 PolarHBondContact N-O 3.44Å; Q933-E949 CarbonylContact O-C 3.46Å; Q933-E949 VanDerWaalsContact O-CA 3.3Å; Q933-E949 WeakPolarHBondContact O-CA 3.18Å; Q933-V950 PolarHBondContact O-N 3.32Å
934P83.8Confident78.1Confident24 Ų2459.4 Ų59.416%0.15630%0.296CS..EExtended strand (participates in β ladder)trans-66.8132.9-174.2-2033.2000112.6K450 H451 C932 V950K450-P934 HydrophobicContact CG-CG 4.04Å; H451-P934 WeakPolarHBondContact O-CD 3.22Å; C932-P934 VanDerWaalsContact O-CD 3.23Å; C932-P934 WeakPolarHBondContact O-CD 3.23Å; P934-V950 WeakPolarHBondContact CA-O 3.39Å; P934-V950 HydrophobicContact CB-CG1 4.43Å; P934-V950 HydrophobicContact CG-CG1 4.28Å
935R78.6Confident78.1Confident77 Ų7758.1 Ų58.129%0.29129%0.289SS..  trans-124.263.1175.6-72-69.8-171.7-122.5-0.1112.4Q933 E949 V950Q933-R935 PolarHBondContact O-N 3.06Å; R935-E949 HydrophobicContact CG-CB 4.03Å; R935-V950 PolarHBondContact N-O 3.22Å
936S63.1Low78.2Confident74 Ų7460.6 Ų60.652%0.51731%0.306SS..G310 helixtrans-73.4-28.7-173.7-47.70000115
937K58.6Low78.5Confident207 Ų20761.5 Ų61.590%0.931%0.309SS*.G310 helixtrans-75.3-20.3-177.5-68.2-172.4178.8-175.80113.9
938E60.4Low78.9Confident97 Ų9759.5 Ų59.545%0.45330%0.297SS..G310 helixtrans-118.926.1-179.3-62.2-173.9147.800112.2D940 R941E938-D940 PolarHBondContact O-N 3.4Å; E938-R941 PolarHBondContact O-N 3.16Å; E938-R941 IonicContact OE1-NH1 3.4Å
939K63.7Low79Confident62 Ų6260 Ų6027%0.2730%0.299SS..THydrogen-bonded Turntrans-53.8-27.9-173.963.9177.7-175.3169.10114.1R951 F953K939-R951 PolarHBondContact O-NH1 2.87Å; K939-F953 HydrophobicContact CB-CE1 4.03Å
940D65.1Low79.1Confident77 Ų7760 Ų6041%0.41230%0.299SS..THydrogen-bonded Turntrans-96.33.6-177.2-61.5-49.4000114.2E938 R963E938-D940 PolarHBondContact O-N 3.4Å; D940-R963 PolarHBondContact O-NH1 3.49Å
941R72.6Confident79.3Confident155 Ų15559.8 Ų59.859%0.58530%0.297SS*.  trans-104.6112.4176.4-68.5-175.3-179.9175-2.3110.4E938 R951E938-R941 PolarHBondContact O-N 3.16Å; E938-R941 IonicContact OE1-NH1 3.4Å; R941-R951 VanDerWaalsContact O-CZ 3.25Å; R941-R951 PolarHBondContact O-NH1 2.8Å; R941-R951 PolarHBondContact O-NH2 2.84Å
942F79.1Confident79.5Confident20 Ų2060.7 Ų60.79%0.08830%0.303CS..  trans-102.68.5179.9-67.1-74.1000113.2Y945 P959 D966 F967 Y970F942-Y945 WeakPolarHBondContact O-CE1 3.26Å; F942-P959 HydrophobicContact CE2-CB 4.42Å; F942-P959 HydrophobicContact CE2-CG 4.23Å; F942-P959 HydrophobicContact CZ-CB 4.46Å; F942-P959 HydrophobicContact CZ-CG 3.84Å; F942-D966 HydrophobicContact CB-CB 3.85Å; F942-D966 HydrophobicContact CD2-CB 3.91Å; F942-D966 HydrophobicContact CG-CB 3.87Å; F942-F967 AromaticContact CE1-CD2 3.86Å; F942-F967 HydrophobicContact CE1-CD2 3.86Å; F942-F967 HydrophobicContact CZ-CB 4.29Å; F942-F967 AromaticContact CZ-CD2 3.8Å; F942-F967 HydrophobicContact CZ-CD2 3.8Å; F942-F967 HydrophobicContact CZ-CG 4.44Å; F942-Y970 HydrophobicContact CD1-CD2 4.31Å; F942-Y970 HydrophobicContact CD1-CG 4.12Å; F942-Y970 HydrophobicContact CE1-CD1 4.37Å; F942-Y970 HydrophobicContact CE1-CD2 4.38Å; F942-Y970 AromaticContact CE1-CG 3.93Å; F942-Y970 HydrophobicContact CE1-CG 3.93Å
943D74.1Confident79.5Confident153 Ų15360.8 Ų60.882%0.81830%0.304SS*.SBendtrans-77.1-27.7-172.3-49.3-48.6000113
944S77.6Confident79.6Confident105 Ų10560.7 Ų60.773%0.73430%0.304SS*.SBendtrans-151.4125.8178.4-177.80000110.2
945Y82.9Confident79.8Confident41 Ų4161.1 Ų61.116%0.16130%0.304CS..  trans-153.1152.3177.851.8-91.9000111.6F942 E949 R969 Y970 K973 A974F942-Y945 WeakPolarHBondContact O-CE1 3.26Å; Y945-E949 WeakPolarHBondContact CA-OE2 3.5Å; Y945-E949 WeakPolarHBondContact CB-OE1 3.39Å; Y945-E949 WeakPolarHBondContact CB-OE2 3.4Å; Y945-R969 PolarHBondContact OH-O 3.38Å; Y945-Y970 HydrophobicContact CD1-CD2 4Å; Y945-Y970 AromaticContact CD2-CD2 3.77Å; Y945-Y970 HydrophobicContact CD2-CD2 3.77Å; Y945-Y970 HydrophobicContact CD2-CE2 4.18Å; Y945-Y970 HydrophobicContact CE1-CD2 4.27Å; Y945-Y970 HydrophobicContact CE2-CD2 4.06Å; Y945-Y970 AromaticContact CG-CD2 3.75Å; Y945-Y970 HydrophobicContact CG-CD2 3.75Å; Y945-Y970 HydrophobicContact CG-CE2 4.14Å; Y945-K973 HydrophobicContact CE2-CB 4.09Å; Y945-K973 HydrophobicContact CE2-CD 4.07Å; Y945-K973 HydrophobicContact CE2-CG 4.36Å; Y945-A974 HydrophobicContact CD2-CB 4.33Å
946S86.8Confident80.1Confident52 Ų5262.1 Ų62.136%0.36432%0.315SS..  trans-100.1148176.2-175.70000111K948 E949S946-K948 PolarHBondContact O-N 3.14Å; S946-K948 VanDerWaalsContact O-N 3.1Å; S946-K948 PolarHBondContact OG-N 3.03Å; S946-E949 PolarHBondContact N-OE2 3.47Å; S946-E949 VanDerWaalsContact O-CG 3.27Å; S946-E949 WeakPolarHBondContact O-CG 3.36Å; S946-E949 PolarHBondContact O-N 3.15Å; S946-E949 VanDerWaalsContact O-N 3.09Å
947Y88.7Confident81.2Confident19 Ų1964.2 Ų64.28%0.07532%0.315CS..THydrogen-bonded Turntrans-61.5-19.3173.569.2-93.3000112.8A434 E435 Q436 L437 Y931 E949 K973A434-Y947 WeakPolarHBondContact O-CE1 3.35Å; A434-Y947 PolarHBondContact O-OH 3.08Å; E435-Y947 VanDerWaalsContact C-CD1 3.42Å; E435-Y947 WeakPolarHBondContact O-CD1 3.39Å; Q436-Y947 WeakPolarHBondContact O-CD2 3.48Å; Q436-Y947 WeakPolarHBondContact O-CE2 3.04Å; L437-Y947 HydrophobicContact CD2-CD2 4.1Å; L437-Y947 VanDerWaalsContact CD2-O 3.3Å; L437-Y947 WeakPolarHBondContact CD2-O 3.27Å; L437-Y947 HydrophobicContact CG-CD2 4.09Å; L437-Y947 VanDerWaalsContact CG-O 3.29Å; L437-Y947 WeakPolarHBondContact CG-O 3.33Å; Y931-Y947 HydrophobicContact CD1-CE2 4.26Å; Y931-Y947 AromaticContact CE1-CE2 3.98Å; Y931-Y947 HydrophobicContact CE1-CE2 3.98Å; Y947-E949 VanDerWaalsContact C-N 3.29Å; Y947-E949 PolarHBondContact O-N 2.87Å; Y947-K973 WeakPolarHBondContact CA-O 3.18Å; Y947-K973 WeakPolarHBondContact CB-O 3.21Å
948K89.6Confident82.5Confident47 Ų4757.6 Ų57.620%0.20429%0.288CS..THydrogen-bonded Turntrans-78.2-11.8178.3-55.4-169.9-179.8178.60113.2Y931 C932 Q933 S946Y931-K948 CarbonylContact C-O 3.51Å; Y931-K948 HydrophobicContact CD1-CB 4.46Å; Y931-K948 HydrophobicContact CD1-CD 4.46Å; Y931-K948 HydrophobicContact CD1-CG 4.02Å; C932-K948 PolarHBondContact N-O 3.07Å; Q933-K948 PolarHBondContact N-O 3.44Å; S946-K948 PolarHBondContact O-N 3.14Å; S946-K948 VanDerWaalsContact O-N 3.1Å; S946-K948 PolarHBondContact OG-N 3.03Å
949E89.6Confident83.6Confident14 Ų1453.7 Ų53.77%0.06527%0.271CS..EExtended strand (participates in β ladder)trans-87.2156.1-174.189-173.3-141.600112.9Q933 R935 Y945 S946 Y947 R951 Y970 A974 L975Q933-E949 CarbonylContact O-C 3.46Å; Q933-E949 VanDerWaalsContact O-CA 3.3Å; Q933-E949 WeakPolarHBondContact O-CA 3.18Å; R935-E949 HydrophobicContact CG-CB 4.03Å; Y945-E949 WeakPolarHBondContact CA-OE2 3.5Å; Y945-E949 WeakPolarHBondContact CB-OE1 3.39Å; Y945-E949 WeakPolarHBondContact CB-OE2 3.4Å; S946-E949 PolarHBondContact N-OE2 3.47Å; S946-E949 VanDerWaalsContact O-CG 3.27Å; S946-E949 WeakPolarHBondContact O-CG 3.36Å; S946-E949 PolarHBondContact O-N 3.15Å; S946-E949 VanDerWaalsContact O-N 3.09Å; Y947-E949 VanDerWaalsContact C-N 3.29Å; Y947-E949 PolarHBondContact O-N 2.87Å; E949-R951 IonicContact OE1-CZ 2.64Å; E949-R951 IonicContact OE1-NE 3.32Å; E949-R951 PolarHBondContact OE1-NE 3.36Å; E949-R951 IonicContact OE1-NH2 2.7Å; E949-R951 PolarHBondContact OE1-NH2 2.81Å; E949-Y970 HydrophobicContact CG-CE2 4.02Å; E949-Y970 WeakPolarHBondContact OE1-CE2 3.41Å; E949-A974 HydrophobicContact CG-CB 4.22Å; E949-L975 PolarHBondContact O-N 3.04Å
950V91.8Very high84.3Confident0 Ų052.9 Ų52.90%028%0.28CS..EExtended strand (participates in β ladder)trans-130.9139.4170.264.70000110.2K450 C932 Q933 P934 R935 L975 M1002K450-V950 HydrophobicContact CD-CG1 3.92Å; K450-V950 HydrophobicContact CD-CG2 4.47Å; K450-V950 HydrophobicContact CG-CG1 3.92Å; C932-V950 VanDerWaalsContact C-CG1 3.44Å; C932-V950 HydrophobicContact CB-CG1 4.39Å; C932-V950 VanDerWaalsContact O-CG1 3.29Å; C932-V950 WeakPolarHBondContact O-CG1 3.33Å; Q933-V950 PolarHBondContact O-N 3.32Å; P934-V950 WeakPolarHBondContact CA-O 3.39Å; P934-V950 HydrophobicContact CB-CG1 4.43Å; P934-V950 HydrophobicContact CG-CG1 4.28Å; R935-V950 PolarHBondContact N-O 3.22Å; V950-L975 VanDerWaalsContact CA-O 3.24Å; V950-L975 WeakPolarHBondContact CA-O 3.44Å; V950-L975 HydrophobicContact CB-CB 4.21Å; V950-L975 HydrophobicContact CG2-CB 3.91Å; V950-L975 WeakPolarHBondContact CG2-O 3.38Å; V950-M1002 HydrophobicContact CG2-CE 3.64Å
951R91.4Very high84.9Confident4 Ų457.8 Ų57.82%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-111.7132.7172.3-70.6171.4-165.8-157.62110.4K939 R941 E949 F953 Y970 L975 S976 R977K939-R951 PolarHBondContact O-NH1 2.87Å; R941-R951 VanDerWaalsContact O-CZ 3.25Å; R941-R951 PolarHBondContact O-NH1 2.8Å; R941-R951 PolarHBondContact O-NH2 2.84Å; E949-R951 IonicContact OE1-CZ 2.64Å; E949-R951 IonicContact OE1-NE 3.32Å; E949-R951 PolarHBondContact OE1-NE 3.36Å; E949-R951 IonicContact OE1-NH2 2.7Å; E949-R951 PolarHBondContact OE1-NH2 2.81Å; R951-F953 HydrophobicContact CB-CD2 4.44Å; R951-F953 HydrophobicContact CB-CE2 3.51Å; R951-F953 HydrophobicContact CB-CZ 3.71Å; R951-Y970 HydrophobicContact CB-CE1 4.26Å; R951-Y970 HydrophobicContact CG-CE1 4.36Å; R951-Y970 HydrophobicContact CG-CE2 4.39Å; R951-Y970 VanDerWaalsContact CG-OH 3.29Å; R951-Y970 WeakPolarHBondContact CG-OH 3.44Å; R951-Y970 PolarHBondContact N-OH 3.1Å; R951-L975 PolarHBondContact N-O 3.42Å; R951-S976 CarbonylContact O-C 3.58Å; R951-S976 WeakPolarHBondContact O-CA 3.22Å; R951-R977 PolarHBondContact O-N 2.93Å
952S91.6Very high85.3Confident20 Ų2056 Ų5614%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-110.8130.8178.6-58.40000110.5K450 R977K450-S952 VanDerWaalsContact CE-OG 3.22Å; K450-S952 WeakPolarHBondContact CE-OG 3.2Å; S952-R977 CarbonylContact C-O 3.6Å; S952-R977 VanDerWaalsContact CA-O 3.23Å; S952-R977 WeakPolarHBondContact CA-O 3.33Å
953F92.1Very high85.5Confident3 Ų360.2 Ų60.21%0.01333%0.325CS..EExtended strand (participates in β ladder)trans-126.6135.9-177.2-55.4-90.6000110.3K939 R951 I958 P959 F967 R977 I978 Y979K939-F953 HydrophobicContact CB-CE1 4.03Å; R951-F953 HydrophobicContact CB-CD2 4.44Å; R951-F953 HydrophobicContact CB-CE2 3.51Å; R951-F953 HydrophobicContact CB-CZ 3.71Å; F953-I958 HydrophobicContact CB-CG2 4.05Å; F953-P959 HydrophobicContact CE1-CG 4.11Å; F953-P959 HydrophobicContact CZ-CG 4.31Å; F953-F967 HydrophobicContact CD2-CZ 4.41Å; F953-F967 AromaticContact CE2-CE2 3.71Å; F953-F967 HydrophobicContact CE2-CE2 3.71Å; F953-F967 HydrophobicContact CE2-CZ 4.01Å; F953-F967 AromaticContact CZ-CE2 4Å; F953-F967 HydrophobicContact CZ-CE2 4Å; F953-R977 PolarHBondContact N-O 2.96Å; F953-I978 HydrophobicContact CB-CG1 4.37Å; F953-I978 VanDerWaalsContact O-CA 3.23Å; F953-I978 WeakPolarHBondContact O-CA 3.49Å; F953-Y979 WeakPolarHBondContact O-CD1 3.38Å; F953-Y979 WeakPolarHBondContact O-CE1 3.42Å; F953-Y979 PolarHBondContact O-N 3.31Å
954M89.7Confident86.1Confident24 Ų2454 Ų5412%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-69.6147.8162.7-173.5-178.3-78.200108.8N956 K957 Y979 K981M954-N956 WeakPolarHBondContact CG-OD1 3.38Å; M954-N956 PolarHBondContact O-N 3Å; M954-N956 PolarHBondContact SD-OD1 2.86Å; M954-K957 HydrophobicContact CB-CB 4.33Å; M954-K957 HydrophobicContact CB-CD 4.39Å; M954-K957 HydrophobicContact CB-CG 4.49Å; M954-K957 PolarHBondContact O-N 2.99Å; M954-Y979 CarbonylContact C-O 3.6Å; M954-Y979 WeakPolarHBondContact CA-O 3.26Å; M954-Y979 HydrophobicContact CB-CE2 4.06Å; M954-Y979 HydrophobicContact CE-CE2 4.17Å; M954-Y979 HydrophobicContact CG-CE2 4.34Å; M954-K981 HydrophobicContact CG-CB 4.03Å; M954-K981 HydrophobicContact SD-CB 3.94Å
955E88.1Confident86.5Confident33 Ų3356.6 Ų56.615%0.15429%0.29CS..THydrogen-bonded Turntrans-48.8-35.6-173.673.6-175.8110.100114.5Y979 K981 R984 F990E955-Y979 PolarHBondContact N-O 3.44Å; E955-K981 HydrophobicContact CG-CB 4.19Å; E955-K981 WeakPolarHBondContact OE1-CB 3.45Å; E955-K981 WeakPolarHBondContact OE1-CG 3.27Å; E955-K981 PolarHBondContact OE1-N 3.12Å; E955-R984 VanDerWaalsContact OE1-CD 3.3Å; E955-R984 WeakPolarHBondContact OE1-CD 3.42Å; E955-R984 IonicContact OE1-CZ 3.16Å; E955-R984 IonicContact OE1-NE 3.56Å; E955-R984 PolarHBondContact OE1-NE 2.91Å; E955-R984 IonicContact OE1-NH2 2.66Å; E955-R984 IonicContact OE2-CZ 3.5Å; E955-R984 IonicContact OE2-NE 3.42Å; E955-R984 PolarHBondContact OE2-NE 3.46Å; E955-R984 IonicContact OE2-NH2 3.88Å; E955-R984 PolarHBondContact OE2-NH2 2.88Å; E955-F990 HydrophobicContact CB-CD1 3.86Å; E955-F990 HydrophobicContact CB-CE1 4.26Å; E955-F990 HydrophobicContact CB-CG 4.08Å; E955-F990 HydrophobicContact CG-CD1 4.49Å; E955-F990 WeakPolarHBondContact OE2-CB 3.46Å
956N85.4Confident86.8Confident98 Ų9858 Ų5852%0.52430%0.301SS..THydrogen-bonded Turntrans-93.2-2-178.463.8-10.4000114M954M954-N956 WeakPolarHBondContact CG-OD1 3.38Å; M954-N956 PolarHBondContact O-N 3Å; M954-N956 PolarHBondContact SD-OD1 2.86Å
957K86.6Confident87Confident118 Ų11855.9 Ų55.951%0.51329%0.285SS..SBendtrans-11422-177.4-69-179.5-177.31760112.7M954M954-K957 HydrophobicContact CB-CB 4.33Å; M954-K957 HydrophobicContact CB-CD 4.39Å; M954-K957 HydrophobicContact CB-CG 4.49Å; M954-K957 PolarHBondContact O-N 2.99Å
958I85.5Confident87.1Confident68 Ų6855.2 Ų55.235%0.34928%0.283SS..SBendtrans-70.4155.1174.557160.6000111.5F953 G960 I978 L995F953-I958 HydrophobicContact CB-CG2 4.05Å; I958-G960 PolarHBondContact O-N 2.79Å; I958-I978 HydrophobicContact CG2-CG1 4.34Å; I958-L995 HydrophobicContact CD1-CD2 4.08Å; I958-L995 HydrophobicContact CG2-CD2 4.12Å
959P84Confident87.2Confident14 Ų1460.6 Ų60.69%0.09130%0.302CS..PPolyproline II helixtrans-55.1130.1174.7-25.435.1000111.9F942 F953 R963 F967F942-P959 HydrophobicContact CE2-CB 4.42Å; F942-P959 HydrophobicContact CE2-CG 4.23Å; F942-P959 HydrophobicContact CZ-CB 4.46Å; F942-P959 HydrophobicContact CZ-CG 3.84Å; F953-P959 HydrophobicContact CE1-CG 4.11Å; F953-P959 HydrophobicContact CZ-CG 4.31Å; P959-R963 HydrophobicContact CB-CB 4.32Å; P959-F967 HydrophobicContact CB-CB 4.44Å; P959-F967 HydrophobicContact CB-CG 4.43Å; P959-F967 HydrophobicContact CG-CB 4.4Å; P959-F967 HydrophobicContact CG-CD1 4.31Å; P959-F967 HydrophobicContact CG-CD2 3.92Å; P959-F967 HydrophobicContact CG-CE2 4.23Å; P959-F967 HydrophobicContact CG-CG 3.97Å
960G78.7Confident87.3Confident45 Ų4559.9 Ų59.946%0.46430%0.299SS..PPolyproline II helixtrans-66.1167.6-179.200000113.6I958 S962 R963I958-G960 PolarHBondContact O-N 2.79Å; G960-S962 PolarHBondContact O-N 2.79Å; G960-R963 PolarHBondContact O-N 2.88Å
961K77.5Confident87.4Confident181 Ų18160 Ų6079%0.78730%0.299SS*.G310 helixtrans-51-34.5-173.7-69.6-176.7179177.50114.6R963 T964K961-R963 PolarHBondContact O-N 2.84Å; K961-T964 WeakPolarHBondContact CA-OG1 3.47Å; K961-T964 PolarHBondContact O-N 3.28Å; K961-T964 PolarHBondContact O-OG1 3.47Å
962S80.4Confident87.5Confident118 Ų11861.3 Ų61.383%0.82530%0.304SS*.G310 helixtrans-64.3-23.4179.154.30000114G960G960-S962 PolarHBondContact O-N 2.79Å
963R84.2Confident87.5Confident108 Ų10865 Ų6541%0.40832%0.317SS..G310 helixtrans-108.211.1-177.8-68.7-174.1164.3-165.1-11.3113.9D940 P959 G960 K961 K965 D966 F967D940-R963 PolarHBondContact O-NH1 3.49Å; P959-R963 HydrophobicContact CB-CB 4.32Å; G960-R963 PolarHBondContact O-N 2.88Å; K961-R963 PolarHBondContact O-N 2.84Å; R963-K965 VanDerWaalsContact C-N 3.26Å; R963-K965 PolarHBondContact O-N 3Å; R963-D966 PolarHBondContact O-N 3.07Å; R963-F967 PolarHBondContact O-N 2.65Å
964T86.1Confident87.6Confident23 Ų2364.8 Ų64.814%0.14132%0.317CS..Hα-helixtrans-56.2-39.7-178.5-50.80000112.3K961 F967 L968 V998K961-T964 WeakPolarHBondContact CA-OG1 3.47Å; K961-T964 PolarHBondContact O-N 3.28Å; K961-T964 PolarHBondContact O-OG1 3.47Å; T964-F967 PolarHBondContact O-N 3.36Å; T964-L968 HydrophobicContact CG2-CD1 4.16Å; T964-L968 WeakPolarHBondContact O-CB 3.23Å; T964-L968 WeakPolarHBondContact O-CG 3.25Å; T964-L968 PolarHBondContact O-N 3.48Å; T964-V998 HydrophobicContact CG2-CG1 4.01Å
965K86.8Confident87.8Confident158 Ų15863.7 Ų63.769%0.68731%0.311SS*.Hα-helixtrans-65.6-43.4179.5-69.4-170.6176.5-171.30112.5R963 F967 L968 R969R963-K965 VanDerWaalsContact C-N 3.26Å; R963-K965 PolarHBondContact O-N 3Å; K965-F967 VanDerWaalsContact C-N 3.29Å; K965-F967 PolarHBondContact O-N 3.1Å; K965-L968 PolarHBondContact O-N 3.22Å; K965-R969 WeakPolarHBondContact O-CB 3.35Å; K965-R969 PolarHBondContact O-N 2.87Å
966D89.3Confident88.2Confident72 Ų7262.1 Ų62.139%0.38530%0.304SS..Hα-helixtrans-65.2-38.8177.5-57.8-38.9000110.7F942 R963 R969 Y970F942-D966 HydrophobicContact CB-CB 3.85Å; F942-D966 HydrophobicContact CD2-CB 3.91Å; F942-D966 HydrophobicContact CG-CB 3.87Å; R963-D966 PolarHBondContact O-N 3.07Å; D966-R969 PolarHBondContact O-N 2.99Å; D966-Y970 WeakPolarHBondContact O-CB 3.44Å; D966-Y970 PolarHBondContact O-N 3.18Å
967F90.9Very high88.7Confident7 Ų757.7 Ų57.73%0.03128%0.28CS..Hα-helixtrans-69-39.9178.2-169-134.2000112.9F942 F953 P959 R963 T964 K965 Y970 N971 V998 C1000F942-F967 AromaticContact CE1-CD2 3.86Å; F942-F967 HydrophobicContact CE1-CD2 3.86Å; F942-F967 HydrophobicContact CZ-CB 4.29Å; F942-F967 AromaticContact CZ-CD2 3.8Å; F942-F967 HydrophobicContact CZ-CD2 3.8Å; F942-F967 HydrophobicContact CZ-CG 4.44Å; F953-F967 HydrophobicContact CD2-CZ 4.41Å; F953-F967 AromaticContact CE2-CE2 3.71Å; F953-F967 HydrophobicContact CE2-CE2 3.71Å; F953-F967 HydrophobicContact CE2-CZ 4.01Å; F953-F967 AromaticContact CZ-CE2 4Å; F953-F967 HydrophobicContact CZ-CE2 4Å; P959-F967 HydrophobicContact CB-CB 4.44Å; P959-F967 HydrophobicContact CB-CG 4.43Å; P959-F967 HydrophobicContact CG-CB 4.4Å; P959-F967 HydrophobicContact CG-CD1 4.31Å; P959-F967 HydrophobicContact CG-CD2 3.92Å; P959-F967 HydrophobicContact CG-CE2 4.23Å; P959-F967 HydrophobicContact CG-CG 3.97Å; R963-F967 PolarHBondContact O-N 2.65Å; T964-F967 PolarHBondContact O-N 3.36Å; K965-F967 VanDerWaalsContact C-N 3.29Å; K965-F967 PolarHBondContact O-N 3.1Å; F967-Y970 HydrophobicContact CD2-CD1 4.2Å; F967-Y970 HydrophobicContact CE2-CD1 4.18Å; F967-Y970 WeakPolarHBondContact O-CB 3.23Å; F967-Y970 PolarHBondContact O-N 2.93Å; F967-N971 WeakPolarHBondContact O-CB 3.14Å; F967-N971 PolarHBondContact O-N 3.43Å; F967-N971 PolarHBondContact O-ND2 2.81Å; F967-V998 HydrophobicContact CD1-CB 4.5Å; F967-V998 HydrophobicContact CD1-CG2 4.14Å; F967-V998 HydrophobicContact CE1-CG2 3.96Å; F967-C1000 WeakPolarHBondContact CE1-SG 3.18Å
968L91.1Very high89.2Confident5 Ų552 Ų523%0.02626%0.255CS..Hα-helixtrans-60-46.7170.7-82.2164.5000111.4T964 K965 Y970 N971 R972 V998 Y1041 P1043T964-L968 HydrophobicContact CG2-CD1 4.16Å; T964-L968 WeakPolarHBondContact O-CB 3.23Å; T964-L968 WeakPolarHBondContact O-CG 3.25Å; T964-L968 PolarHBondContact O-N 3.48Å; K965-L968 PolarHBondContact O-N 3.22Å; L968-Y970 VanDerWaalsContact C-N 3.29Å; L968-Y970 PolarHBondContact O-N 2.66Å; L968-N971 PolarHBondContact O-N 3.33Å; L968-N971 VanDerWaalsContact O-N 3.15Å; L968-R972 WeakPolarHBondContact O-CG 3.47Å; L968-R972 PolarHBondContact O-N 3.21Å; L968-V998 HydrophobicContact CD2-CB 4.45Å; L968-V998 WeakPolarHBondContact CD2-O 3.28Å; L968-Y1041 HydrophobicContact CD1-CD1 4.24Å; L968-Y1041 HydrophobicContact CD2-CD1 3.93Å; L968-Y1041 HydrophobicContact CD2-CE1 4.11Å; L968-P1043 HydrophobicContact CD1-CG 4.01Å
969R90.8Very high89.6Confident159 Ų15951.8 Ų51.860%0.625%0.25SS*.Hα-helixtrans-60.2-41.6177.4-167.8-173.9178.2-174.20111.5Y945 K965 D966Y945-R969 PolarHBondContact OH-O 3.38Å; K965-R969 WeakPolarHBondContact O-CB 3.35Å; K965-R969 PolarHBondContact O-N 2.87Å; D966-R969 PolarHBondContact O-N 2.99Å
970Y92.3Very high90.1Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-59.2-51.2172.4173.2-96.6000111.5F942 Y945 E949 R951 D966 F967 L968 R972 K973 A974 L975F942-Y970 HydrophobicContact CD1-CD2 4.31Å; F942-Y970 HydrophobicContact CD1-CG 4.12Å; F942-Y970 HydrophobicContact CE1-CD1 4.37Å; F942-Y970 HydrophobicContact CE1-CD2 4.38Å; F942-Y970 AromaticContact CE1-CG 3.93Å; F942-Y970 HydrophobicContact CE1-CG 3.93Å; Y945-Y970 HydrophobicContact CD1-CD2 4Å; Y945-Y970 AromaticContact CD2-CD2 3.77Å; Y945-Y970 HydrophobicContact CD2-CD2 3.77Å; Y945-Y970 HydrophobicContact CD2-CE2 4.18Å; Y945-Y970 HydrophobicContact CE1-CD2 4.27Å; Y945-Y970 HydrophobicContact CE2-CD2 4.06Å; Y945-Y970 AromaticContact CG-CD2 3.75Å; Y945-Y970 HydrophobicContact CG-CD2 3.75Å; Y945-Y970 HydrophobicContact CG-CE2 4.14Å; E949-Y970 HydrophobicContact CG-CE2 4.02Å; E949-Y970 WeakPolarHBondContact OE1-CE2 3.41Å; R951-Y970 HydrophobicContact CB-CE1 4.26Å; R951-Y970 HydrophobicContact CG-CE1 4.36Å; R951-Y970 HydrophobicContact CG-CE2 4.39Å; R951-Y970 VanDerWaalsContact CG-OH 3.29Å; R951-Y970 WeakPolarHBondContact CG-OH 3.44Å; R951-Y970 PolarHBondContact N-OH 3.1Å; D966-Y970 WeakPolarHBondContact O-CB 3.44Å; D966-Y970 PolarHBondContact O-N 3.18Å; F967-Y970 HydrophobicContact CD2-CD1 4.2Å; F967-Y970 HydrophobicContact CE2-CD1 4.18Å; F967-Y970 WeakPolarHBondContact O-CB 3.23Å; F967-Y970 PolarHBondContact O-N 2.93Å; L968-Y970 VanDerWaalsContact C-N 3.29Å; L968-Y970 PolarHBondContact O-N 2.66Å; Y970-R972 VanDerWaalsContact C-N 3.27Å; Y970-R972 PolarHBondContact O-N 3.04Å; Y970-K973 PolarHBondContact O-N 3.22Å; Y970-A974 HydrophobicContact CD2-CB 4.07Å; Y970-A974 HydrophobicContact CE1-CB 4.3Å; Y970-A974 HydrophobicContact CE2-CB 3.51Å; Y970-A974 PolarHBondContact O-N 2.87Å; Y970-L975 WeakPolarHBondContact CE1-O 3.49Å; Y970-L975 PolarHBondContact OH-O 3.18Å
971N94.1Very high90.4Very high2 Ų252.3 Ų52.31%0.01124%0.239CC..Hα-helixtrans-62.8-29.9-176.6-76.8-25.3000113F967 L968 K973 A974 S976 V998 G999 H1001F967-N971 WeakPolarHBondContact O-CB 3.14Å; F967-N971 PolarHBondContact O-N 3.43Å; F967-N971 PolarHBondContact O-ND2 2.81Å; L968-N971 PolarHBondContact O-N 3.33Å; L968-N971 VanDerWaalsContact O-N 3.15Å; N971-K973 PolarHBondContact O-N 2.76Å; N971-A974 WeakPolarHBondContact CA-O 3.49Å; N971-S976 WeakPolarHBondContact OD1-CB 3.43Å; N971-S976 PolarHBondContact OD1-OG 2.79Å; N971-V998 PolarHBondContact ND2-O 3.24Å; N971-G999 WeakPolarHBondContact CB-O 3.25Å; N971-H1001 PolarHBondContact O-CE1 3.08Å; N971-H1001 PolarHBondContact O-NE2 3.41Å
972R92.9Very high90.3Very high31 Ų3149 Ų4912%0.11723%0.23CC..Hα-helixtrans-62.9-27.1174.8-68.6174.2-164.61335.5113.4S316 H317 L968 Y970 M1036 S1038 D1039S316-R972 WeakPolarHBondContact CB-O 3.42Å; S316-R972 PolarHBondContact OG-O 2.9Å; H317-R972 PolarHBondContact NE2-O 2.81Å; L968-R972 WeakPolarHBondContact O-CG 3.47Å; L968-R972 PolarHBondContact O-N 3.21Å; Y970-R972 VanDerWaalsContact C-N 3.27Å; Y970-R972 PolarHBondContact O-N 3.04Å; R972-M1036 PolarHBondContact NE-O 2.84Å; R972-S1038 PolarHBondContact NE-O 2.86Å; R972-S1038 PolarHBondContact NH2-O 2.89Å; R972-D1039 IonicContact CZ-OD1 3.14Å; R972-D1039 IonicContact NH1-OD1 3.06Å; R972-D1039 PolarHBondContact NH1-OD1 3.09Å
973K91.6Very high89.9Confident97 Ų9746.3 Ų46.342%0.42220%0.204SC..Hα-helixtrans-114.9-28.8-172.4-176.7173.4-175.1177.70114.3Y945 Y947 Y970 N971Y945-K973 HydrophobicContact CE2-CB 4.09Å; Y945-K973 HydrophobicContact CE2-CD 4.07Å; Y945-K973 HydrophobicContact CE2-CG 4.36Å; Y947-K973 WeakPolarHBondContact CA-O 3.18Å; Y947-K973 WeakPolarHBondContact CB-O 3.21Å; Y970-K973 PolarHBondContact O-N 3.22Å; N971-K973 PolarHBondContact O-N 2.76Å
974A92.8Very high89.8Confident0 Ų043.4 Ų43.40%019%0.193CC..SBendtrans-135.6162.8-174.900000111Y945 E949 Y970 N971 H1001Y945-A974 HydrophobicContact CD2-CB 4.33Å; E949-A974 HydrophobicContact CG-CB 4.22Å; Y970-A974 HydrophobicContact CD2-CB 4.07Å; Y970-A974 HydrophobicContact CE1-CB 4.3Å; Y970-A974 HydrophobicContact CE2-CB 3.51Å; Y970-A974 PolarHBondContact O-N 2.87Å; N971-A974 WeakPolarHBondContact CA-O 3.49Å; A974-H1001 PolarHBondContact O-CE1 2.81Å
975L95.8Very high89.4Confident1 Ų142.6 Ų42.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-91.6147.3-170.1-62.5177.3000113L315 L437 E949 V950 R951 Y970 H1001 M1002L315-L975 HydrophobicContact CD2-CD1 4.19Å; L437-L975 HydrophobicContact CD1-CD1 4.13Å; L437-L975 HydrophobicContact CD1-CD2 3.99Å; L437-L975 HydrophobicContact CD1-CG 3.72Å; E949-L975 PolarHBondContact O-N 3.04Å; V950-L975 VanDerWaalsContact CA-O 3.24Å; V950-L975 WeakPolarHBondContact CA-O 3.44Å; V950-L975 HydrophobicContact CB-CB 4.21Å; V950-L975 HydrophobicContact CG2-CB 3.91Å; V950-L975 WeakPolarHBondContact CG2-O 3.38Å; R951-L975 PolarHBondContact N-O 3.42Å; Y970-L975 WeakPolarHBondContact CE1-O 3.49Å; Y970-L975 PolarHBondContact OH-O 3.18Å; L975-H1001 HydrophobicContact CD2-CB 4.14Å; L975-M1002 HydrophobicContact CB-CE 3.86Å; L975-M1002 HydrophobicContact CD1-CE 4.23Å
976S95.6Very high89Confident0 Ų039.1 Ų39.10%017%0.174CC..EExtended strand (participates in β ladder)trans-124.5137.7172.448.60000110.6R951 N971 C1000 H1001 M1002R951-S976 CarbonylContact O-C 3.58Å; R951-S976 WeakPolarHBondContact O-CA 3.22Å; N971-S976 WeakPolarHBondContact OD1-CB 3.43Å; N971-S976 PolarHBondContact OD1-OG 2.79Å; S976-C1000 WeakPolarHBondContact OG-CA 3.46Å; S976-H1001 PolarHBondContact N-ND1 3.49Å; S976-H1001 PolarHBondContact OG-ND1 3.12Å; S976-M1002 PolarHBondContact O-N 2.98Å
977R96.4Very high89Confident4 Ų435.7 Ų35.72%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-117134.4172.6-175.2178.7-174.1-105.20.8109.8S323 E354 R951 S952 F953 M1002S323-R977 PolarHBondContact O-NH2 3.05Å; E354-R977 IonicContact OE1-CZ 3.78Å; E354-R977 VanDerWaalsContact OE1-CZ 3.25Å; E354-R977 IonicContact OE1-NH1 2.77Å; E354-R977 PolarHBondContact OE1-NH1 3.01Å; E354-R977 IonicContact OE1-NH2 2.73Å; E354-R977 PolarHBondContact OE1-NH2 3.09Å; E354-R977 IonicContact OE2-CZ 3.93Å; E354-R977 IonicContact OE2-NH1 3.6Å; E354-R977 IonicContact OE2-NH2 3.71Å; E354-R977 PolarHBondContact OE2-NH2 3.23Å; R951-R977 PolarHBondContact O-N 2.93Å; S952-R977 CarbonylContact C-O 3.6Å; S952-R977 VanDerWaalsContact CA-O 3.23Å; S952-R977 WeakPolarHBondContact CA-O 3.33Å; F953-R977 PolarHBondContact N-O 2.96Å; R977-M1002 CarbonylContact C-O 3.5Å; R977-M1002 VanDerWaalsContact CA-O 3.28Å; R977-M1002 WeakPolarHBondContact CA-O 3.35Å; R977-M1002 HydrophobicContact CB-CB 4.01Å; R977-M1002 HydrophobicContact CB-CE 4.12Å; R977-M1002 HydrophobicContact CG-CB 3.95Å
978I96.6Very high89.1Confident0 Ų037.5 Ų37.50%017%0.17CC..EExtended strand (participates in β ladder)trans-121.4140.4174.4-62.987.6000108.5F953 I958 F990 L995 C1000 M1002 A1004F953-I978 HydrophobicContact CB-CG1 4.37Å; F953-I978 VanDerWaalsContact O-CA 3.23Å; F953-I978 WeakPolarHBondContact O-CA 3.49Å; I958-I978 HydrophobicContact CG2-CG1 4.34Å; I978-F990 HydrophobicContact CG2-CE1 4.49Å; I978-F990 HydrophobicContact CG2-CE2 4.3Å; I978-F990 HydrophobicContact CG2-CZ 3.9Å; I978-L995 HydrophobicContact CB-CD1 4.03Å; I978-L995 HydrophobicContact CG1-CD1 4.28Å; I978-L995 HydrophobicContact CG1-CD2 4.34Å; I978-L995 HydrophobicContact CG2-CD1 3.64Å; I978-C1000 HydrophobicContact CD1-CB 3.43Å; I978-C1000 VanDerWaalsContact CD1-CB 3.43Å; I978-C1000 WeakPolarHBondContact CD1-SG 3.37Å; I978-M1002 PolarHBondContact N-O 3.5Å; I978-A1004 WeakPolarHBondContact O-CA 3.4Å; I978-A1004 VanDerWaalsContact O-CB 3.24Å; I978-A1004 WeakPolarHBondContact O-CB 3.45Å; I978-A1004 PolarHBondContact O-N 3.42Å
979Y94.9Very high89.3Confident62 Ų6237.5 Ų37.524%0.24317%0.169CC..EExtended strand (participates in β ladder)trans-139156-179.361.8-85.2000111.8F953 M954 E955F953-Y979 WeakPolarHBondContact O-CD1 3.38Å; F953-Y979 WeakPolarHBondContact O-CE1 3.42Å; F953-Y979 PolarHBondContact O-N 3.31Å; M954-Y979 CarbonylContact C-O 3.6Å; M954-Y979 WeakPolarHBondContact CA-O 3.26Å; M954-Y979 HydrophobicContact CB-CE2 4.06Å; M954-Y979 HydrophobicContact CE-CE2 4.17Å; M954-Y979 HydrophobicContact CG-CE2 4.34Å; E955-Y979 PolarHBondContact N-O 3.44Å
980P93.3Very high89.5Confident2 Ų230.4 Ų30.41%0.01314%0.143CC..  trans-63.2157-177.9-18.431.1000112.9H324 F990H324-P980 HydrophobicContact CB-CG 4.28Å; H324-P980 VanDerWaalsContact CG-CD 3.41Å; P980-F990 HydrophobicContact CB-CD1 4.18Å; P980-F990 HydrophobicContact CB-CE1 4.2Å; P980-F990 HydrophobicContact CG-CD1 4.15Å; P980-F990 HydrophobicContact CG-CE1 3.79Å
981K85.3Confident89.7Confident68 Ų6832.6 Ų32.630%0.29616%0.155SC..  trans-76150.2173.174.4-172.7177.8168.30111.6M954 E955 Q983 R984M954-K981 HydrophobicContact CG-CB 4.03Å; M954-K981 HydrophobicContact SD-CB 3.94Å; E955-K981 HydrophobicContact CG-CB 4.19Å; E955-K981 WeakPolarHBondContact OE1-CB 3.45Å; E955-K981 WeakPolarHBondContact OE1-CG 3.27Å; E955-K981 PolarHBondContact OE1-N 3.12Å; K981-Q983 HydrophobicContact CD-CB 4.41Å; K981-Q983 HydrophobicContact CG-CB 4.26Å; K981-Q983 VanDerWaalsContact CG-OE1 3.27Å; K981-Q983 PolarHBondContact O-N 2.85Å; K981-Q983 VanDerWaalsContact O-N 3.12Å; K981-R984 HydrophobicContact CG-CG 3.99Å; K981-R984 WeakPolarHBondContact O-CB 3.25Å; K981-R984 PolarHBondContact O-N 2.81Å; K981-R984 VanDerWaalsContact O-N 3.08Å
982N75.3Confident89.7Confident113 Ų11332.5 Ų32.560%0.60415%0.154SC*.THydrogen-bonded Turntrans-61.2-24.8-176.3-61.17.2000113.6R984N982-R984 PolarHBondContact O-N 2.77Å
983Q73.3Confident89.8Confident60 Ų6031.8 Ų31.828%0.2815%0.152SC..THydrogen-bonded Turntrans-68.2-11.1177.9-62.686.4-7.600113.7E829 K981 V985E829-Q983 PolarHBondContact O-NE2 2.79Å; K981-Q983 HydrophobicContact CD-CB 4.41Å; K981-Q983 HydrophobicContact CG-CB 4.26Å; K981-Q983 VanDerWaalsContact CG-OE1 3.27Å; K981-Q983 PolarHBondContact O-N 2.85Å; K981-Q983 VanDerWaalsContact O-N 3.12Å; Q983-V985 PolarHBondContact O-N 3.44Å
984R81.4Confident89.8Confident47 Ų4730.3 Ų30.318%0.17715%0.152CC..  trans-80.861175.7-67.5173.2174.4-82.88.2110.4E955 K981 N982 E986 S987 S988 N989E955-R984 VanDerWaalsContact OE1-CD 3.3Å; E955-R984 WeakPolarHBondContact OE1-CD 3.42Å; E955-R984 IonicContact OE1-CZ 3.16Å; E955-R984 IonicContact OE1-NE 3.56Å; E955-R984 PolarHBondContact OE1-NE 2.91Å; E955-R984 IonicContact OE1-NH2 2.66Å; E955-R984 IonicContact OE2-CZ 3.5Å; E955-R984 IonicContact OE2-NE 3.42Å; E955-R984 PolarHBondContact OE2-NE 3.46Å; E955-R984 IonicContact OE2-NH2 3.88Å; E955-R984 PolarHBondContact OE2-NH2 2.88Å; K981-R984 HydrophobicContact CG-CG 3.99Å; K981-R984 WeakPolarHBondContact O-CB 3.25Å; K981-R984 PolarHBondContact O-N 2.81Å; K981-R984 VanDerWaalsContact O-N 3.08Å; N982-R984 PolarHBondContact O-N 2.77Å; R984-E986 VanDerWaalsContact C-N 3.29Å; R984-E986 PolarHBondContact O-N 3.43Å; R984-S987 WeakPolarHBondContact O-CA 3.29Å; R984-S987 PolarHBondContact O-N 2.62Å; R984-S988 WeakPolarHBondContact CD-O 3.41Å; R984-S988 PolarHBondContact NH1-OG 2.74Å; R984-N989 PolarHBondContact NH1-O 3.36Å
985V77Confident89.9Confident6 Ų630.8 Ų30.84%0.03616%0.155CC..THydrogen-bonded Turntrans-63.6-35.2-173.8-174.60000112.1D331 Q332 L333 L836 Q983 S987D331-V985 WeakPolarHBondContact CB-O 3.46Å; Q332-V985 PolarHBondContact N-O 3.04Å; L333-V985 HydrophobicContact CB-CG1 4.37Å; L333-V985 HydrophobicContact CD1-CG1 3.38Å; L333-V985 HydrophobicContact CG-CG1 3.49Å; L333-V985 VanDerWaalsContact CG-CG1 3.49Å; L836-V985 HydrophobicContact CD1-CB 4.13Å; L836-V985 HydrophobicContact CD1-CG1 3.5Å; Q983-V985 PolarHBondContact O-N 3.44Å; V985-S987 PolarHBondContact O-N 2.72Å; V985-S987 VanDerWaalsContact O-N 3.11Å
986E78.6Confident89.9Confident86 Ų8630.8 Ų30.840%0.40216%0.155SC..THydrogen-bonded Turntrans-73.28.8172.1-58.4-162.4159.800113.7K718 R984 S988K718-E986 IonicContact NZ-OE2 3.46Å; R984-E986 VanDerWaalsContact C-N 3.29Å; R984-E986 PolarHBondContact O-N 3.43Å; E986-S988 VanDerWaalsContact C-N 3.29Å; E986-S988 PolarHBondContact O-N 3.32Å
987S89.9Confident89.7Confident0 Ų031 Ų310%016%0.157CC..  trans6227.9-178-58.10000114.5G330 D331 Q332 R984 V985 N1006 Q1008 T1009G330-S987 PolarHBondContact O-OG 2.99Å; D331-S987 WeakPolarHBondContact CA-OG 3.44Å; Q332-S987 PolarHBondContact NE2-OG 2.79Å; R984-S987 WeakPolarHBondContact O-CA 3.29Å; R984-S987 PolarHBondContact O-N 2.62Å; V985-S987 PolarHBondContact O-N 2.72Å; V985-S987 VanDerWaalsContact O-N 3.11Å; S987-N1006 VanDerWaalsContact O-CB 3.27Å; S987-N1006 WeakPolarHBondContact O-CB 3.49Å; S987-N1006 PolarHBondContact O-ND2 3Å; S987-N1006 VanDerWaalsContact O-ND2 3.09Å; S987-Q1008 PolarHBondContact OG-NE2 3.05Å; S987-T1009 WeakPolarHBondContact CB-OG1 3.37Å; S987-T1009 WeakPolarHBondContact O-CB 3.22Å; S987-T1009 PolarHBondContact O-OG1 3.08Å
988S92.3Very high89.6Confident45 Ų4532 Ų3232%0.31516%0.163SC..  trans-63.6155.8173.963.90000112.3R984 E986 N1006R984-S988 WeakPolarHBondContact CD-O 3.41Å; R984-S988 PolarHBondContact NH1-OG 2.74Å; E986-S988 VanDerWaalsContact C-N 3.29Å; E986-S988 PolarHBondContact O-N 3.32Å; S988-N1006 PolarHBondContact O-ND2 3.31Å
989N96.1Very high89.4Confident4 Ų432 Ų322%0.02116%0.163CC..  trans-104.8162.7176.5-67.3-66.8000113.9R984 L1005 N1006 D1011 Y1013 T1014R984-N989 PolarHBondContact NH1-O 3.36Å; N989-L1005 HydrophobicContact CB-CD2 4.12Å; N989-L1005 VanDerWaalsContact OD1-CA 3.31Å; N989-L1005 WeakPolarHBondContact OD1-CA 3.44Å; N989-L1005 WeakPolarHBondContact OD1-CB 3.26Å; N989-N1006 PolarHBondContact ND2-O 3.39Å; N989-N1006 VanDerWaalsContact ND2-O 3.14Å; N989-N1006 PolarHBondContact OD1-N 3.48Å; N989-D1011 WeakPolarHBondContact CB-OD2 3.26Å; N989-D1011 PolarHBondContact N-OD2 2.8Å; N989-D1011 PolarHBondContact ND2-OD1 2.75Å; N989-D1011 PolarHBondContact ND2-OD2 3.28Å; N989-Y1013 HydrophobicContact CB-CD2 3.95Å; N989-Y1013 HydrophobicContact CB-CG 4.39Å; N989-Y1013 VanDerWaalsContact O-CD2 3.3Å; N989-Y1013 WeakPolarHBondContact O-CD2 3.24Å; N989-Y1013 VanDerWaalsContact O-CE2 3.31Å; N989-Y1013 WeakPolarHBondContact O-CE2 3.38Å; N989-T1014 PolarHBondContact ND2-OG1 3.47Å
990F95.1Very high89.5Confident10 Ų1029.1 Ų29.14%0.04415%0.152CC..  trans-98164.417159.6-97.2000110.8E955 I978 P980 P992 L995 V1003 L1005 Y1013E955-F990 HydrophobicContact CB-CD1 3.86Å; E955-F990 HydrophobicContact CB-CE1 4.26Å; E955-F990 HydrophobicContact CB-CG 4.08Å; E955-F990 HydrophobicContact CG-CD1 4.49Å; E955-F990 WeakPolarHBondContact OE2-CB 3.46Å; I978-F990 HydrophobicContact CG2-CE1 4.49Å; I978-F990 HydrophobicContact CG2-CE2 4.3Å; I978-F990 HydrophobicContact CG2-CZ 3.9Å; P980-F990 HydrophobicContact CB-CD1 4.18Å; P980-F990 HydrophobicContact CB-CE1 4.2Å; P980-F990 HydrophobicContact CG-CD1 4.15Å; P980-F990 HydrophobicContact CG-CE1 3.79Å; F990-P992 VanDerWaalsContact O-CD 3.26Å; F990-P992 WeakPolarHBondContact O-CD 3.37Å; F990-L995 HydrophobicContact CD2-CD1 3.88Å; F990-L995 HydrophobicContact CE2-CD1 3.31Å; F990-L995 HydrophobicContact CZ-CD1 4.14Å; F990-V1003 HydrophobicContact CE2-CG1 3.47Å; F990-V1003 VanDerWaalsContact CE2-CG1 3.47Å; F990-V1003 HydrophobicContact CZ-CG1 3.78Å; F990-L1005 HydrophobicContact CE1-CD2 4.21Å; F990-L1005 HydrophobicContact CE2-CD2 4.03Å; F990-L1005 HydrophobicContact CZ-CD2 3.85Å; F990-Y1013 VanDerWaalsContact O-CG 3.3Å
991D94.8Very high89.7Confident47 Ų4729 Ų2925%0.25115%0.151SC..  trans-68.9116.7176.8-177.510.3000111.5Y993 P994 Y1013D991-Y993 WeakPolarHBondContact OD1-CB 3.32Å; D991-Y993 PolarHBondContact OD1-N 2.78Å; D991-P994 WeakPolarHBondContact O-CD 3.43Å; D991-P994 WeakPolarHBondContact OD2-CD 3.21Å; D991-Y1013 VanDerWaalsContact CA-CE1 3.45Å; D991-Y1013 HydrophobicContact CB-CD1 4.11Å; D991-Y1013 HydrophobicContact CB-CE1 3.54Å
992P95.9Very high90.3Very high0 Ų025.8 Ų25.80%014%0.137CC..SBendtrans-78-20.1-179.232.5-36.5000113.3F990 L995 W996 V1003F990-P992 VanDerWaalsContact O-CD 3.26Å; F990-P992 WeakPolarHBondContact O-CD 3.37Å; P992-L995 WeakPolarHBondContact O-CB 3.45Å; P992-L995 PolarHBondContact O-N 2.83Å; P992-L995 VanDerWaalsContact O-N 3.11Å; P992-W996 HydrophobicContact CB-CD2 4.02Å; P992-W996 HydrophobicContact CB-CE3 4.04Å; P992-W996 HydrophobicContact CB-CH2 3.6Å; P992-W996 HydrophobicContact CB-CZ2 3.58Å; P992-W996 HydrophobicContact CB-CZ3 3.85Å; P992-W996 HydrophobicContact CG-CE3 4.16Å; P992-W996 HydrophobicContact CG-CH2 3.38Å; P992-W996 HydrophobicContact CG-CZ2 3.91Å; P992-W996 HydrophobicContact CG-CZ3 3.54Å; P992-W996 PolarHBondContact O-N 2.98Å; P992-V1003 HydrophobicContact CB-CG1 3.79Å
993Y93.7Very high91.4Very high15 Ų1520.4 Ų20.46%0.05911%0.109CC..Hα-helixtrans-56.8-49.5-173.7164.1-98.6000113.6D991 L995 W996 A997 G1082 H1083 L1118D991-Y993 WeakPolarHBondContact OD1-CB 3.32Å; D991-Y993 PolarHBondContact OD1-N 2.78Å; Y993-L995 PolarHBondContact O-N 2.94Å; Y993-L995 VanDerWaalsContact O-N 3.09Å; Y993-W996 PolarHBondContact O-N 3.34Å; Y993-A997 HydrophobicContact CE2-CB 4.33Å; Y993-A997 WeakPolarHBondContact O-CB 2.97Å; Y993-A997 PolarHBondContact O-N 2.83Å; Y993-G1082 VanDerWaalsContact CD1-O 3.23Å; Y993-G1082 WeakPolarHBondContact CD1-O 3.4Å; Y993-G1082 VanDerWaalsContact CD2-CA 3.49Å; Y993-G1082 VanDerWaalsContact CE1-C 3.4Å; Y993-G1082 WeakPolarHBondContact CE1-O 3.19Å; Y993-H1083 VanDerWaalsContact CZ-N 3.33Å; Y993-H1083 VanDerWaalsContact OH-CA 3.25Å; Y993-H1083 WeakPolarHBondContact OH-CA 3.49Å; Y993-H1083 WeakPolarHBondContact OH-CB 3.36Å; Y993-H1083 PolarHBondContact OH-N 2.59Å; Y993-L1118 HydrophobicContact CD2-CB 4.33Å; Y993-L1118 HydrophobicContact CE2-CB 4.07Å
994P92.6Very high92.6Very high67 Ų6717.6 Ų17.644%0.43510%0.095SC..Hα-helixtrans-58.9-27.6-179.7-25.435.1000113.4D991D991-P994 WeakPolarHBondContact O-CD 3.43Å; D991-P994 WeakPolarHBondContact OD2-CD 3.21Å
995L94.9Very high93.4Very high9 Ų915.3 Ų15.35%0.0479%0.087CC..Hα-helixtrans-82.7-43.1-179.4-57.3171.8000111.2I958 I978 F990 P992 Y993 A997 V998 G999 C1000 V1003I958-L995 HydrophobicContact CD1-CD2 4.08Å; I958-L995 HydrophobicContact CG2-CD2 4.12Å; I978-L995 HydrophobicContact CB-CD1 4.03Å; I978-L995 HydrophobicContact CG1-CD1 4.28Å; I978-L995 HydrophobicContact CG1-CD2 4.34Å; I978-L995 HydrophobicContact CG2-CD1 3.64Å; F990-L995 HydrophobicContact CD2-CD1 3.88Å; F990-L995 HydrophobicContact CE2-CD1 3.31Å; F990-L995 HydrophobicContact CZ-CD1 4.14Å; P992-L995 WeakPolarHBondContact O-CB 3.45Å; P992-L995 PolarHBondContact O-N 2.83Å; P992-L995 VanDerWaalsContact O-N 3.11Å; Y993-L995 PolarHBondContact O-N 2.94Å; Y993-L995 VanDerWaalsContact O-N 3.09Å; L995-A997 VanDerWaalsContact C-N 3.27Å; L995-A997 PolarHBondContact O-N 3.09Å; L995-V998 WeakPolarHBondContact O-CG2 3.37Å; L995-V998 PolarHBondContact O-N 2.8Å; L995-V998 VanDerWaalsContact O-N 3.16Å; L995-G999 PolarHBondContact O-N 3.23Å; L995-C1000 HydrophobicContact CB-CB 4.1Å; L995-C1000 WeakPolarHBondContact O-CB 3.38Å; L995-C1000 PolarHBondContact O-N 3.4Å; L995-C1000 PolarHBondContact O-SG 3.37Å; L995-V1003 HydrophobicContact CB-CG1 4.47Å; L995-V1003 HydrophobicContact CB-CG2 3.83Å; L995-V1003 HydrophobicContact CD1-CG1 3.74Å; L995-V1003 HydrophobicContact CD1-CG2 4.34Å
996W95.4Very high94.4Very high2 Ų215.1 Ų15.11%0.0089%0.085CC..Hα-helixtrans-61.1-38.5172.7-67-34.4000111.8W319 P992 Y993 V998 G999 N1017 L1020 F1021 M1036 L1118 F1120W319-W996 AromaticContact CD1-CD1 3.61Å; W319-W996 PolarHBondContact NE1-O 3.31Å; P992-W996 HydrophobicContact CB-CD2 4.02Å; P992-W996 HydrophobicContact CB-CE3 4.04Å; P992-W996 HydrophobicContact CB-CH2 3.6Å; P992-W996 HydrophobicContact CB-CZ2 3.58Å; P992-W996 HydrophobicContact CB-CZ3 3.85Å; P992-W996 HydrophobicContact CG-CE3 4.16Å; P992-W996 HydrophobicContact CG-CH2 3.38Å; P992-W996 HydrophobicContact CG-CZ2 3.91Å; P992-W996 HydrophobicContact CG-CZ3 3.54Å; P992-W996 PolarHBondContact O-N 2.98Å; Y993-W996 PolarHBondContact O-N 3.34Å; W996-V998 PolarHBondContact O-N 2.81Å; W996-G999 PolarHBondContact O-N 3.27Å; W996-N1017 HydrophobicContact CH2-CB 4.33Å; W996-N1017 HydrophobicContact CZ2-CB 4.49Å; W996-L1020 HydrophobicContact CD2-CD2 3.75Å; W996-L1020 HydrophobicContact CE3-CD2 3.91Å; W996-L1020 HydrophobicContact CG-CD2 4.41Å; W996-L1020 HydrophobicContact CH2-CB 4.31Å; W996-L1020 HydrophobicContact CH2-CD2 3.85Å; W996-L1020 HydrophobicContact CZ2-CD2 3.66Å; W996-L1020 HydrophobicContact CZ3-CD2 3.96Å; W996-F1021 HydrophobicContact CZ2-CE2 4.44Å; W996-M1036 WeakPolarHBondContact O-CE 3.3Å; W996-L1118 HydrophobicContact CB-CD1 4.28Å; W996-L1118 HydrophobicContact CB-CD2 3.96Å; W996-L1118 HydrophobicContact CE3-CD2 4.43Å; W996-F1120 HydrophobicContact CZ3-CE2 4.22Å; W996-F1120 HydrophobicContact CZ3-CZ 4.1Å
997A92.1Very high95.2Very high5 Ų511.2 Ų11.24%0.0417%0.067CC..THydrogen-bonded Turntrans-64-20.1176.900000113.8Y993 L995 Y1041 P1043 L1118Y993-A997 HydrophobicContact CE2-CB 4.33Å; Y993-A997 WeakPolarHBondContact O-CB 2.97Å; Y993-A997 PolarHBondContact O-N 2.83Å; L995-A997 VanDerWaalsContact C-N 3.27Å; L995-A997 PolarHBondContact O-N 3.09Å; A997-Y1041 WeakPolarHBondContact O-CE1 3.26Å; A997-Y1041 PolarHBondContact O-OH 3.06Å; A997-P1043 WeakPolarHBondContact O-CG 3.46Å; A997-L1118 HydrophobicContact CB-CD1 4.42Å
998V92.6Very high95.5Very high24 Ų2411.6 Ų11.615%0.1457%0.069CC..THydrogen-bonded Turntrans-101.716.7172.4-59.60000112.9T964 F967 L968 N971 L995 W996 C1000T964-V998 HydrophobicContact CG2-CG1 4.01Å; F967-V998 HydrophobicContact CD1-CB 4.5Å; F967-V998 HydrophobicContact CD1-CG2 4.14Å; F967-V998 HydrophobicContact CE1-CG2 3.96Å; L968-V998 HydrophobicContact CD2-CB 4.45Å; L968-V998 WeakPolarHBondContact CD2-O 3.28Å; N971-V998 PolarHBondContact ND2-O 3.24Å; L995-V998 WeakPolarHBondContact O-CG2 3.37Å; L995-V998 PolarHBondContact O-N 2.8Å; L995-V998 VanDerWaalsContact O-N 3.16Å; W996-V998 PolarHBondContact O-N 2.81Å; V998-C1000 PolarHBondContact O-N 3.18Å
999G93.4Very high95.6Very high1 Ų110.9 Ų10.91%0.016%0.063CC..THydrogen-bonded Turntrans7617.3175.800000114.6N971 L995 W996 H1001 Q1032N971-G999 WeakPolarHBondContact CB-O 3.25Å; L995-G999 PolarHBondContact O-N 3.23Å; W996-G999 PolarHBondContact O-N 3.27Å; G999-H1001 PolarHBondContact O-CE1 2.72Å; G999-H1001 PolarHBondContact O-N 2.74Å; G999-H1001 PolarHBondContact O-ND1 3.46Å; G999-Q1032 PolarHBondContact O-NE2 3.13Å
1000C96.5Very high95.5Very high0 Ų012.6 Ų12.60%08%0.077CC..  trans-67.1134.9177.2-67.60000111.8W319 F967 S976 I978 L995 V998 V1003W319-C1000 VanDerWaalsContact CD1-O 3.28Å; F967-C1000 WeakPolarHBondContact CE1-SG 3.18Å; S976-C1000 WeakPolarHBondContact OG-CA 3.46Å; I978-C1000 HydrophobicContact CD1-CB 3.43Å; I978-C1000 VanDerWaalsContact CD1-CB 3.43Å; I978-C1000 WeakPolarHBondContact CD1-SG 3.37Å; L995-C1000 HydrophobicContact CB-CB 4.1Å; L995-C1000 WeakPolarHBondContact O-CB 3.38Å; L995-C1000 PolarHBondContact O-N 3.4Å; L995-C1000 PolarHBondContact O-SG 3.37Å; V998-C1000 PolarHBondContact O-N 3.18Å; C1000-V1003 HydrophobicContact CB-CG2 3.98Å
1001H97.9Very high95.4Very high0 Ų013.5 Ų13.50%08%0.082CC..SBendtrans-90-56.3-167.7-49.377.7000112.2S316 Y318 I320 N971 A974 L975 S976 G999S316-H1001 VanDerWaalsContact C-NE2 3.29Å; S316-H1001 VanDerWaalsContact CA-NE2 3.25Å; S316-H1001 WeakPolarHBondContact CA-NE2 3.21Å; S316-H1001 PolarHBondContact O-CD2 3.13Å; S316-H1001 PolarHBondContact O-NE2 2.94Å; Y318-H1001 PolarHBondContact O-CD2 2.75Å; I320-H1001 HydrophobicContact CD1-CB 4.31Å; I320-H1001 HydrophobicContact CG1-CB 4.41Å; I320-H1001 PolarHBondContact N-O 3.33Å; N971-H1001 PolarHBondContact O-CE1 3.08Å; N971-H1001 PolarHBondContact O-NE2 3.41Å; A974-H1001 PolarHBondContact O-CE1 2.81Å; L975-H1001 HydrophobicContact CD2-CB 4.14Å; S976-H1001 PolarHBondContact N-ND1 3.49Å; S976-H1001 PolarHBondContact OG-ND1 3.12Å; G999-H1001 PolarHBondContact O-CE1 2.72Å; G999-H1001 PolarHBondContact O-N 2.74Å; G999-H1001 PolarHBondContact O-ND1 3.46Å
1002M97.9Very high95.4Very high0 Ų013 Ų130%08%0.078CC..EExtended strand (participates in β ladder)trans-105.877-173.8-67.7170.7-77.400109.7I320 S322 C352 I398 V950 L975 S976 R977 I978 A1004I320-M1002 HydrophobicContact CB-CG 4.16Å; I320-M1002 HydrophobicContact CD1-CG 4.33Å; I320-M1002 HydrophobicContact CG2-CG 4.49Å; S322-M1002 WeakPolarHBondContact OG-CA 3.44Å; S322-M1002 VanDerWaalsContact OG-CB 3.28Å; S322-M1002 WeakPolarHBondContact OG-CB 3.29Å; S322-M1002 WeakPolarHBondContact OG-CG 3.44Å; C352-M1002 HydrophobicContact CB-CG 4.21Å; C352-M1002 HydrophobicContact CB-SD 4.23Å; I398-M1002 HydrophobicContact CD1-SD 3.91Å; I398-M1002 HydrophobicContact CG2-SD 4.38Å; V950-M1002 HydrophobicContact CG2-CE 3.64Å; L975-M1002 HydrophobicContact CB-CE 3.86Å; L975-M1002 HydrophobicContact CD1-CE 4.23Å; S976-M1002 PolarHBondContact O-N 2.98Å; R977-M1002 CarbonylContact C-O 3.5Å; R977-M1002 VanDerWaalsContact CA-O 3.28Å; R977-M1002 WeakPolarHBondContact CA-O 3.35Å; R977-M1002 HydrophobicContact CB-CB 4.01Å; R977-M1002 HydrophobicContact CB-CE 4.12Å; R977-M1002 HydrophobicContact CG-CB 3.95Å; I978-M1002 PolarHBondContact N-O 3.5Å; M1002-A1004 PolarHBondContact O-N 3.05Å
1003V98.1Very high95.4Very high1 Ų116 Ų161%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-83.292.2174.2-175.50000107.6F990 P992 L995 C1000 L1005F990-V1003 HydrophobicContact CE2-CG1 3.47Å; F990-V1003 VanDerWaalsContact CE2-CG1 3.47Å; F990-V1003 HydrophobicContact CZ-CG1 3.78Å; P992-V1003 HydrophobicContact CB-CG1 3.79Å; L995-V1003 HydrophobicContact CB-CG1 4.47Å; L995-V1003 HydrophobicContact CB-CG2 3.83Å; L995-V1003 HydrophobicContact CD1-CG1 3.74Å; L995-V1003 HydrophobicContact CD1-CG2 4.34Å; C1000-V1003 HydrophobicContact CB-CG2 3.98Å; V1003-L1005 HydrophobicContact CG1-CD2 4.49Å
1004A98.1Very high95.6Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-80127.6-171.600000111.5S322 H324 I978 M1002S322-A1004 WeakPolarHBondContact O-CA 3.37Å; H324-A1004 HydrophobicContact CB-CB 3.97Å; I978-A1004 WeakPolarHBondContact O-CA 3.4Å; I978-A1004 VanDerWaalsContact O-CB 3.24Å; I978-A1004 WeakPolarHBondContact O-CB 3.45Å; I978-A1004 PolarHBondContact O-N 3.42Å; M1002-A1004 PolarHBondContact O-N 3.05Å
1005L98.1Very high95.8Very high0 Ų012.5 Ų12.50%07%0.069CC..EExtended strand (participates in β ladder)trans-119.7156.7-179.2-56.9-179.1000111S322 S323 H324 N989 F990 V1003 Y1007 N1017S322-L1005 PolarHBondContact O-N 3.04Å; S322-L1005 VanDerWaalsContact O-N 3.14Å; S323-L1005 WeakPolarHBondContact CA-O 3.16Å; H324-L1005 PolarHBondContact N-O 3.2Å; N989-L1005 HydrophobicContact CB-CD2 4.12Å; N989-L1005 VanDerWaalsContact OD1-CA 3.31Å; N989-L1005 WeakPolarHBondContact OD1-CA 3.44Å; N989-L1005 WeakPolarHBondContact OD1-CB 3.26Å; F990-L1005 HydrophobicContact CE1-CD2 4.21Å; F990-L1005 HydrophobicContact CE2-CD2 4.03Å; F990-L1005 HydrophobicContact CZ-CD2 3.85Å; V1003-L1005 HydrophobicContact CG1-CD2 4.49Å; L1005-Y1007 HydrophobicContact CB-CD2 4.46Å; L1005-Y1007 HydrophobicContact CB-CE2 4.39Å; L1005-Y1007 WeakPolarHBondContact O-CD2 3.45Å; L1005-Y1007 PolarHBondContact O-N 3.02Å; L1005-N1017 HydrophobicContact CD1-CB 3.67Å
1006N97.8Very high95.9Very high1 Ų112.2 Ų12.21%0.0057%0.067CC..  trans-78.1102.8170.3-63.2-45.3000109.2H324 Q332 S987 S988 N989 Q1008 T1009H324-N1006 PolarHBondContact ND1-OD1 2.75Å; Q332-N1006 PolarHBondContact NE2-OD1 2.87Å; S987-N1006 VanDerWaalsContact O-CB 3.27Å; S987-N1006 WeakPolarHBondContact O-CB 3.49Å; S987-N1006 PolarHBondContact O-ND2 3Å; S987-N1006 VanDerWaalsContact O-ND2 3.09Å; S988-N1006 PolarHBondContact O-ND2 3.31Å; N989-N1006 PolarHBondContact ND2-O 3.39Å; N989-N1006 VanDerWaalsContact ND2-O 3.14Å; N989-N1006 PolarHBondContact OD1-N 3.48Å; N1006-Q1008 VanDerWaalsContact C-N 3.31Å; N1006-Q1008 PolarHBondContact O-N 2.81Å; N1006-T1009 PolarHBondContact O-N 3.3Å
1007Y96.9Very high95.9Very high5 Ų512.3 Ų12.32%0.027%0.068CC..THydrogen-bonded Turntrans-73.4-22-172.9-88.1-135.3000113.7S321 S322 C345 W348 C350 L1005 T1009 N1017S321-Y1007 PolarHBondContact OG-OH 3.21Å; S322-Y1007 VanDerWaalsContact O-CE2 3.25Å; S322-Y1007 WeakPolarHBondContact O-CE2 3.37Å; C345-Y1007 HydrophobicContact CB-CD1 4.19Å; C345-Y1007 VanDerWaalsContact SG-CB 3.58Å; C345-Y1007 VanDerWaalsContact SG-CD1 3.56Å; W348-Y1007 AromaticContact CE3-CD1 3.7Å; W348-Y1007 HydrophobicContact CE3-CD1 3.7Å; W348-Y1007 HydrophobicContact CE3-CE1 4.29Å; W348-Y1007 HydrophobicContact CZ3-CD1 4.22Å; C350-Y1007 HydrophobicContact CB-CE1 3.89Å; L1005-Y1007 HydrophobicContact CB-CD2 4.46Å; L1005-Y1007 HydrophobicContact CB-CE2 4.39Å; L1005-Y1007 WeakPolarHBondContact O-CD2 3.45Å; L1005-Y1007 PolarHBondContact O-N 3.02Å; Y1007-T1009 PolarHBondContact O-N 3.35Å; Y1007-N1017 PolarHBondContact OH-ND2 3.24Å; Y1007-N1017 VanDerWaalsContact OH-ND2 3.12Å
1008Q94.6Very high96.1Very high8 Ų813.2 Ų13.24%0.0377%0.074CC..THydrogen-bonded Turntrans-70.4-10.5176.172.1-84.233.100113.2F102 G330 S987 N1006 Y1160F102-Q1008 HydrophobicContact CD1-CB 3.59Å; F102-Q1008 HydrophobicContact CE1-CB 3.75Å; F102-Q1008 HydrophobicContact CG-CB 4.09Å; F102-Q1008 HydrophobicContact CZ-CB 4.37Å; G330-Q1008 WeakPolarHBondContact O-CG 3.29Å; G330-Q1008 PolarHBondContact O-NE2 3.11Å; S987-Q1008 PolarHBondContact OG-NE2 3.05Å; N1006-Q1008 VanDerWaalsContact C-N 3.31Å; N1006-Q1008 PolarHBondContact O-N 2.81Å; Q1008-Y1160 VanDerWaalsContact O-CE1 3.25Å; Q1008-Y1160 WeakPolarHBondContact O-CE1 3.49Å; Q1008-Y1160 PolarHBondContact O-OH 2.85Å
1009T94.9Very high96.3Very high30 Ų3012.2 Ų12.218%0.1847%0.068CC..SBendtrans-102.4117.3-177.6-550000111.4S987 N1006 Y1007 D1011 T1014S987-T1009 WeakPolarHBondContact CB-OG1 3.37Å; S987-T1009 WeakPolarHBondContact O-CB 3.22Å; S987-T1009 PolarHBondContact O-OG1 3.08Å; N1006-T1009 PolarHBondContact O-N 3.3Å; Y1007-T1009 PolarHBondContact O-N 3.35Å; T1009-D1011 VanDerWaalsContact C-N 3.33Å; T1009-D1011 HydrophobicContact CG2-CB 4.18Å; T1009-D1011 PolarHBondContact O-N 2.68Å; T1009-T1014 PolarHBondContact O-OG1 2.84Å; T1009-T1014 VanDerWaalsContact O-OG1 3.13Å
1010A93.4Very high96.4Very high40 Ų4012.2 Ų12.233%0.3317%0.067SC..  trans-8169.517800000112.7G1159 Y1160A1010-G1159 VanDerWaalsContact CB-C 3.47Å; A1010-G1159 WeakPolarHBondContact CB-O 3.31Å; A1010-Y1160 HydrophobicContact CB-CD1 3.86Å; A1010-Y1160 HydrophobicContact CB-CD2 3.96Å; A1010-Y1160 HydrophobicContact CB-CE1 3.71Å; A1010-Y1160 HydrophobicContact CB-CE2 3.78Å; A1010-Y1160 HydrophobicContact CB-CG 4Å
1011D93.8Very high96.4Very high28 Ų2812.6 Ų12.615%0.157%0.069CC..SBendtrans-112174.1-18063.218.9000114.2N989 T1009 Y1013 T1014 Q1015N989-D1011 WeakPolarHBondContact CB-OD2 3.26Å; N989-D1011 PolarHBondContact N-OD2 2.8Å; N989-D1011 PolarHBondContact ND2-OD1 2.75Å; N989-D1011 PolarHBondContact ND2-OD2 3.28Å; T1009-D1011 VanDerWaalsContact C-N 3.33Å; T1009-D1011 HydrophobicContact CG2-CB 4.18Å; T1009-D1011 PolarHBondContact O-N 2.68Å; D1011-Y1013 PolarHBondContact O-N 2.82Å; D1011-Y1013 PolarHBondContact OD1-N 3.35Å; D1011-T1014 PolarHBondContact O-N 3.34Å; D1011-T1014 WeakPolarHBondContact OD1-CB 3.45Å; D1011-T1014 PolarHBondContact OD1-N 3.03Å; D1011-T1014 PolarHBondContact OD1-OG1 3.32Å; D1011-Q1015 WeakPolarHBondContact O-CG 3.12Å; D1011-Q1015 PolarHBondContact O-N 3.2Å; D1011-Q1015 PolarHBondContact O-NE2 3.43Å
1012K95.5Very high96.2Very high36 Ų3613.6 Ų13.616%0.1578%0.076CC..Hα-helixtrans-51.8-39.4177.5172.9174.7170.6171.90111.6Q1015 L1016 E1079 C1081 E1085K1012-Q1015 WeakPolarHBondContact O-CB 3.06Å; K1012-Q1015 PolarHBondContact O-N 2.92Å; K1012-L1016 HydrophobicContact CG-CD1 4.16Å; K1012-L1016 WeakPolarHBondContact O-CG 3.46Å; K1012-L1016 PolarHBondContact O-N 2.85Å; K1012-E1079 IonicContact NZ-OE2 3.06Å; K1012-E1079 PolarHBondContact NZ-OE2 2.85Å; K1012-C1081 WeakPolarHBondContact CE-SG 3.38Å; K1012-E1085 IonicContact NZ-OE1 3.41Å; K1012-E1085 PolarHBondContact NZ-OE1 2.86Å
1013Y96.3Very high95.9Very high65 Ų6514.3 Ų14.326%0.2558%0.08SC..Hα-helixtrans-77.4-38-170.9-54.5-54.3000112.6N989 F990 D991 D1011 Q1015 L1016 N1017N989-Y1013 HydrophobicContact CB-CD2 3.95Å; N989-Y1013 HydrophobicContact CB-CG 4.39Å; N989-Y1013 VanDerWaalsContact O-CD2 3.3Å; N989-Y1013 WeakPolarHBondContact O-CD2 3.24Å; N989-Y1013 VanDerWaalsContact O-CE2 3.31Å; N989-Y1013 WeakPolarHBondContact O-CE2 3.38Å; F990-Y1013 VanDerWaalsContact O-CG 3.3Å; D991-Y1013 VanDerWaalsContact CA-CE1 3.45Å; D991-Y1013 HydrophobicContact CB-CD1 4.11Å; D991-Y1013 HydrophobicContact CB-CE1 3.54Å; D1011-Y1013 PolarHBondContact O-N 2.82Å; D1011-Y1013 PolarHBondContact OD1-N 3.35Å; Y1013-Q1015 PolarHBondContact O-N 3.36Å; Y1013-L1016 HydrophobicContact CD1-CD1 4.3Å; Y1013-L1016 PolarHBondContact O-N 3.46Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.45Å; Y1013-N1017 PolarHBondContact O-N 3.07Å
1014T96.1Very high95.6Very high4 Ų415 Ų153%0.0258%0.084CC..Hα-helixtrans-65.1-32.8171.3-55.30000111.4N989 T1009 D1011 N1017 S1018N989-T1014 PolarHBondContact ND2-OG1 3.47Å; T1009-T1014 PolarHBondContact O-OG1 2.84Å; T1009-T1014 VanDerWaalsContact O-OG1 3.13Å; D1011-T1014 PolarHBondContact O-N 3.34Å; D1011-T1014 WeakPolarHBondContact OD1-CB 3.45Å; D1011-T1014 PolarHBondContact OD1-N 3.03Å; D1011-T1014 PolarHBondContact OD1-OG1 3.32Å; T1014-N1017 PolarHBondContact O-N 2.96Å; T1014-S1018 WeakPolarHBondContact O-CB 3.46Å; T1014-S1018 PolarHBondContact O-N 3.31Å; T1014-S1018 PolarHBondContact O-OG 2.98Å
1015Q96.8Very high95Very high4 Ų415.8 Ų15.82%0.0199%0.092CC..Hα-helixtrans-70.6-40.8174.9-65.315912.400111.8D1011 K1012 Y1013 S1018 A1019 Q1139 G1159D1011-Q1015 WeakPolarHBondContact O-CG 3.12Å; D1011-Q1015 PolarHBondContact O-N 3.2Å; D1011-Q1015 PolarHBondContact O-NE2 3.43Å; K1012-Q1015 WeakPolarHBondContact O-CB 3.06Å; K1012-Q1015 PolarHBondContact O-N 2.92Å; Y1013-Q1015 PolarHBondContact O-N 3.36Å; Q1015-S1018 PolarHBondContact O-N 3.23Å; Q1015-A1019 WeakPolarHBondContact O-CB 3.33Å; Q1015-A1019 PolarHBondContact O-N 3.17Å; Q1015-Q1139 HydrophobicContact CG-CG 4.36Å; Q1015-G1159 PolarHBondContact NE2-O 3.48Å
1016L96.9Very high94.7Very high3 Ų319.8 Ų19.82%0.01611%0.113CC..Hα-helixtrans-63.3-42.3171.5-70171.2000112K1012 Y1013 A1019 L1020 C1081 F1120 T1141K1012-L1016 HydrophobicContact CG-CD1 4.16Å; K1012-L1016 WeakPolarHBondContact O-CG 3.46Å; K1012-L1016 PolarHBondContact O-N 2.85Å; Y1013-L1016 HydrophobicContact CD1-CD1 4.3Å; Y1013-L1016 PolarHBondContact O-N 3.46Å; L1016-A1019 PolarHBondContact O-N 3.4Å; L1016-L1020 PolarHBondContact O-N 2.95Å; L1016-C1081 HydrophobicContact CD1-CB 4.36Å; L1016-C1081 HydrophobicContact CD2-CB 3.75Å; L1016-F1120 HydrophobicContact CD2-CB 3.69Å; L1016-F1120 HydrophobicContact CD2-CD1 4.43Å; L1016-F1120 HydrophobicContact CD2-CD2 3.75Å; L1016-F1120 HydrophobicContact CD2-CG 3.69Å; L1016-T1141 HydrophobicContact CD2-CG2 3.85Å
1017N97.1Very high94.5Very high4 Ų419.8 Ų19.82%0.02111%0.113CC..Hα-helixtrans-58.1-49.3173.8-179.986.2000111.1W996 L1005 Y1007 Y1013 T1014 A1019 L1020 F1021W996-N1017 HydrophobicContact CH2-CB 4.33Å; W996-N1017 HydrophobicContact CZ2-CB 4.49Å; L1005-N1017 HydrophobicContact CD1-CB 3.67Å; Y1007-N1017 PolarHBondContact OH-ND2 3.24Å; Y1007-N1017 VanDerWaalsContact OH-ND2 3.12Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.45Å; Y1013-N1017 PolarHBondContact O-N 3.07Å; T1014-N1017 PolarHBondContact O-N 2.96Å; N1017-A1019 VanDerWaalsContact C-N 3.26Å; N1017-A1019 PolarHBondContact O-N 3.22Å; N1017-L1020 PolarHBondContact O-N 2.8Å; N1017-F1021 WeakPolarHBondContact O-CD2 3.32Å; N1017-F1021 PolarHBondContact O-N 3.07Å; N1017-F1021 WeakPolarHBondContact OD1-CD2 3.17Å; N1017-F1021 VanDerWaalsContact OD1-CE2 3.26Å; N1017-F1021 WeakPolarHBondContact OD1-CE2 3.42Å
1018S95.9Very high94.5Very high24 Ų2419.5 Ų19.517%0.16811%0.112CC..Hα-helixtrans-62-34.7177.7-56.60000112.6T1014 Q1015 S1022 N1161T1014-S1018 WeakPolarHBondContact O-CB 3.46Å; T1014-S1018 PolarHBondContact O-N 3.31Å; T1014-S1018 PolarHBondContact O-OG 2.98Å; Q1015-S1018 PolarHBondContact O-N 3.23Å; S1018-S1022 WeakPolarHBondContact O-CB 3.48Å; S1018-S1022 PolarHBondContact O-N 2.81Å; S1018-N1161 WeakPolarHBondContact CB-ND2 3.45Å
1019A95.9Very high94.7Very high2 Ų219.1 Ų19.12%0.01711%0.11CC..Hα-helixtrans-70.3-43.9176.100000112.2Q1015 L1016 N1017 F1021 S1022 F1120 T1141 P1143Q1015-A1019 WeakPolarHBondContact O-CB 3.33Å; Q1015-A1019 PolarHBondContact O-N 3.17Å; L1016-A1019 PolarHBondContact O-N 3.4Å; N1017-A1019 VanDerWaalsContact C-N 3.26Å; N1017-A1019 PolarHBondContact O-N 3.22Å; A1019-F1021 VanDerWaalsContact C-N 3.35Å; A1019-F1021 PolarHBondContact O-N 2.78Å; A1019-S1022 PolarHBondContact O-N 2.83Å; A1019-S1022 PolarHBondContact O-OG 2.94Å; A1019-F1120 HydrophobicContact CB-CD1 4.01Å; A1019-F1120 HydrophobicContact CB-CE1 4.35Å; A1019-T1141 HydrophobicContact CB-CG2 3.62Å; A1019-T1141 WeakPolarHBondContact CB-O 3.37Å; A1019-P1143 WeakPolarHBondContact O-CD 3.21Å; A1019-P1143 WeakPolarHBondContact O-CG 3.12Å
1020L96.3Very high94.7Very high1 Ų118.2 Ų18.21%0.00511%0.105CC..Hα-helixtrans-59.2-49.1175.3179.462000110.7W319 W996 L1016 N1017 S1022 L1023 V1030 L1118 F1120W319-L1020 HydrophobicContact CB-CD2 4.36Å; W319-L1020 HydrophobicContact CD2-CD2 4.4Å; W319-L1020 HydrophobicContact CE3-CD1 4.02Å; W319-L1020 HydrophobicContact CE3-CD2 4.21Å; W319-L1020 HydrophobicContact CG-CD2 4.49Å; W319-L1020 HydrophobicContact CZ3-CD1 4.16Å; W996-L1020 HydrophobicContact CD2-CD2 3.75Å; W996-L1020 HydrophobicContact CE3-CD2 3.91Å; W996-L1020 HydrophobicContact CG-CD2 4.41Å; W996-L1020 HydrophobicContact CH2-CB 4.31Å; W996-L1020 HydrophobicContact CH2-CD2 3.85Å; W996-L1020 HydrophobicContact CZ2-CD2 3.66Å; W996-L1020 HydrophobicContact CZ3-CD2 3.96Å; L1016-L1020 PolarHBondContact O-N 2.95Å; N1017-L1020 PolarHBondContact O-N 2.8Å; L1020-S1022 VanDerWaalsContact C-N 3.26Å; L1020-S1022 PolarHBondContact O-N 2.75Å; L1020-L1023 HydrophobicContact CD1-CD1 4.29Å; L1020-L1023 WeakPolarHBondContact O-CB 3.32Å; L1020-L1023 WeakPolarHBondContact O-CG 3.41Å; L1020-L1023 PolarHBondContact O-N 3.26Å; L1020-V1030 HydrophobicContact CD1-CG1 4.3Å; L1020-V1030 WeakPolarHBondContact O-CG2 3.33Å; L1020-L1118 HydrophobicContact CD1-CD2 4.47Å; L1020-F1120 HydrophobicContact CB-CE1 3.83Å; L1020-F1120 HydrophobicContact CB-CZ 3.88Å; L1020-F1120 HydrophobicContact CD1-CE1 4.36Å; L1020-F1120 HydrophobicContact CD1-CZ 4.12Å; L1020-F1120 HydrophobicContact CG-CZ 4.47Å
1021F96.3Very high94.9Very high8 Ų817.9 Ų17.94%0.03510%0.097CC..THydrogen-bonded Turntrans-80.7-1-176.8-68.1-68.2000114.2W319 I320 S321 W996 N1017 A1019 N1026 G1028 V1030W319-F1021 HydrophobicContact CB-CE1 4.31Å; W319-F1021 HydrophobicContact CB-CZ 4.07Å; W319-F1021 WeakPolarHBondContact O-CE1 3.36Å; I320-F1021 VanDerWaalsContact C-CZ 3.4Å; S321-F1021 VanDerWaalsContact CA-CZ 3.44Å; S321-F1021 VanDerWaalsContact N-CE1 3.28Å; W996-F1021 HydrophobicContact CZ2-CE2 4.44Å; N1017-F1021 WeakPolarHBondContact O-CD2 3.32Å; N1017-F1021 PolarHBondContact O-N 3.07Å; N1017-F1021 WeakPolarHBondContact OD1-CD2 3.17Å; N1017-F1021 VanDerWaalsContact OD1-CE2 3.26Å; N1017-F1021 WeakPolarHBondContact OD1-CE2 3.42Å; A1019-F1021 VanDerWaalsContact C-N 3.35Å; A1019-F1021 PolarHBondContact O-N 2.78Å; F1021-N1026 VanDerWaalsContact O-CA 3.3Å; F1021-N1026 WeakPolarHBondContact O-CA 3.39Å; F1021-N1026 PolarHBondContact O-OD1 2.95Å; F1021-G1028 WeakPolarHBondContact CE1-O 3.15Å; F1021-V1030 HydrophobicContact CD1-CG2 3.83Å; F1021-V1030 HydrophobicContact CE1-CG2 4.16Å
1022S93.3Very high94.9Very high22 Ų2216.7 Ų16.715%0.1549%0.091CC..THydrogen-bonded Turntrans-72.8-17.8166.277.90000112.9S1018 A1019 L1020 N1026S1018-S1022 WeakPolarHBondContact O-CB 3.48Å; S1018-S1022 PolarHBondContact O-N 2.81Å; A1019-S1022 PolarHBondContact O-N 2.83Å; A1019-S1022 PolarHBondContact O-OG 2.94Å; L1020-S1022 VanDerWaalsContact C-N 3.26Å; L1020-S1022 PolarHBondContact O-N 2.75Å; S1022-N1026 VanDerWaalsContact CA-OD1 3.32Å; S1022-N1026 WeakPolarHBondContact CA-OD1 3.24Å
1023L92.1Very high94.7Very high14 Ų1416 Ų167%0.0739%0.09CC..THydrogen-bonded Turntrans-66.4148.3167.3-63.3167.3000110.1W299 F303 L1020 G1025 V1030 P1143W299-L1023 HydrophobicContact CH2-CD2 3.73Å; W299-L1023 HydrophobicContact CH2-CG 4.42Å; W299-L1023 HydrophobicContact CZ3-CD2 4.48Å; F303-L1023 HydrophobicContact CB-CD2 4.04Å; F303-L1023 HydrophobicContact CD1-CD2 4.1Å; F303-L1023 HydrophobicContact CG-CD2 4.2Å; F303-L1023 CarbonylContact O-C 3.58Å; L1020-L1023 HydrophobicContact CD1-CD1 4.29Å; L1020-L1023 WeakPolarHBondContact O-CB 3.32Å; L1020-L1023 WeakPolarHBondContact O-CG 3.41Å; L1020-L1023 PolarHBondContact O-N 3.26Å; L1023-G1025 VanDerWaalsContact C-N 3.32Å; L1023-G1025 PolarHBondContact O-N 3.11Å; L1023-V1030 HydrophobicContact CB-CG2 4.15Å; L1023-V1030 HydrophobicContact CD1-CG1 4.23Å; L1023-P1143 HydrophobicContact CD1-CB 4.12Å; L1023-P1143 HydrophobicContact CD1-CG 4.05Å; L1023-P1143 HydrophobicContact CD2-CB 4.33Å; L1023-P1143 HydrophobicContact CD2-CG 4.24Å; L1023-P1143 HydrophobicContact CG-CB 4.35Å; L1023-P1143 HydrophobicContact CG-CG 3.95Å
1024N90.9Very high94.3Very high16 Ų1620.6 Ų20.69%0.08611%0.114CC..THydrogen-bonded Turntrans60.443.8174.1-166.743.2000112F303 I306 N307 M311 N1026 S1027 Y1029F303-N1024 PolarHBondContact O-N 3.47Å; I306-N1024 WeakPolarHBondContact CA-OD1 3.48Å; N307-N1024 PolarHBondContact N-OD1 3.03Å; M311-N1024 PolarHBondContact SD-ND2 3.31Å; N1024-N1026 PolarHBondContact O-N 2.87Å; N1024-S1027 PolarHBondContact ND2-OG 2.96Å; N1024-S1027 VanDerWaalsContact O-CB 3.24Å; N1024-S1027 WeakPolarHBondContact O-CB 3.45Å; N1024-S1027 PolarHBondContact O-N 3.04Å; N1024-S1027 PolarHBondContact O-OG 3.4Å; N1024-Y1029 PolarHBondContact ND2-O 2.9Å
1025G86.3Confident93.8Very high17 Ų1725 Ų2518%0.17514%0.135CC..THydrogen-bonded Turntrans59.840.7170.900000116.9S304 L1023 S1027S304-G1025 WeakPolarHBondContact O-CA 3.37Å; L1023-G1025 VanDerWaalsContact C-N 3.32Å; L1023-G1025 PolarHBondContact O-N 3.11Å; G1025-S1027 PolarHBondContact O-N 3.38Å
1026N91.2Very high93.5Very high84 Ų8425 Ų2545%0.44914%0.135SC..THydrogen-bonded Turntrans54.624.7-179.6-62.5-49.9000113.6F1021 S1022 N1024 G1028F1021-N1026 VanDerWaalsContact O-CA 3.3Å; F1021-N1026 WeakPolarHBondContact O-CA 3.39Å; F1021-N1026 PolarHBondContact O-OD1 2.95Å; S1022-N1026 VanDerWaalsContact CA-OD1 3.32Å; S1022-N1026 WeakPolarHBondContact CA-OD1 3.24Å; N1024-N1026 PolarHBondContact O-N 2.87Å; N1026-G1028 PolarHBondContact O-N 2.75Å; N1026-G1028 VanDerWaalsContact O-N 3.12Å
1027S94.9Very high93.1Very high0 Ų027.8 Ų27.80%015%0.146CC..  trans-63.5-18.9-179.157.20000113.3R351 S393 N1024 G1025 Y1029R351-S1027 WeakPolarHBondContact CG-O 3.38Å; S393-S1027 WeakPolarHBondContact CB-O 3.34Å; S393-S1027 PolarHBondContact OG-O 3.44Å; N1024-S1027 PolarHBondContact ND2-OG 2.96Å; N1024-S1027 VanDerWaalsContact O-CB 3.24Å; N1024-S1027 WeakPolarHBondContact O-CB 3.45Å; N1024-S1027 PolarHBondContact O-N 3.04Å; N1024-S1027 PolarHBondContact O-OG 3.4Å; G1025-S1027 PolarHBondContact O-N 3.38Å; S1027-Y1029 VanDerWaalsContact C-N 3.26Å; S1027-Y1029 PolarHBondContact OG-N 2.74Å; S1027-Y1029 PolarHBondContact OG-O 3.03Å
1028G96.4Very high92.6Very high0 Ų029.8 Ų29.80%016%0.16CC..SBendtrans79.17-173.100000114.2S321 G349 F1021 N1026S321-G1028 PolarHBondContact N-O 2.9Å; G349-G1028 WeakPolarHBondContact O-CA 3.38Å; F1021-G1028 WeakPolarHBondContact CE1-O 3.15Å; N1026-G1028 PolarHBondContact O-N 2.75Å; N1026-G1028 VanDerWaalsContact O-N 3.12Å
1029Y97.8Very high92Very high0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-128.8122.2177.4-74.9-84.8000110.3M311 L315 Y318 I320 R351 F395 P396 P440 N1024 S1027M311-Y1029 HydrophobicContact CE-CD2 4.41Å; M311-Y1029 HydrophobicContact CE-CG 4.13Å; L315-Y1029 HydrophobicContact CD1-CD1 4.29Å; L315-Y1029 HydrophobicContact CD1-CE1 3.52Å; Y318-Y1029 HydrophobicContact CG-CD1 4.24Å; I320-Y1029 HydrophobicContact CB-CE1 4.24Å; I320-Y1029 HydrophobicContact CD1-CE1 3.75Å; I320-Y1029 HydrophobicContact CG1-CD1 3.94Å; I320-Y1029 HydrophobicContact CG1-CE1 3.59Å; I320-Y1029 HydrophobicContact CG2-CD1 4.47Å; I320-Y1029 HydrophobicContact CG2-CE1 3.82Å; R351-Y1029 HydrophobicContact CB-CD2 4.42Å; R351-Y1029 HydrophobicContact CB-CE2 3.69Å; R351-Y1029 HydrophobicContact CG-CD2 3.83Å; R351-Y1029 HydrophobicContact CG-CE2 3.45Å; R351-Y1029 VanDerWaalsContact CG-CE2 3.45Å; F395-Y1029 HydrophobicContact CB-CD2 3.64Å; F395-Y1029 HydrophobicContact CB-CE2 3.71Å; F395-Y1029 HydrophobicContact CG-CD2 4.32Å; P396-Y1029 HydrophobicContact CG-CE2 4.22Å; P396-Y1029 WeakPolarHBondContact O-CE2 3.23Å; P396-Y1029 PolarHBondContact O-OH 3.13Å; P440-Y1029 HydrophobicContact CG-CD1 4.17Å; N1024-Y1029 PolarHBondContact ND2-O 2.9Å; S1027-Y1029 VanDerWaalsContact C-N 3.26Å; S1027-Y1029 PolarHBondContact OG-N 2.74Å; S1027-Y1029 PolarHBondContact OG-O 3.03Å
1030V96.4Very high91.4Very high11 Ų1141.2 Ų41.27%0.06722%0.219CC..EExtended strand (participates in β ladder)trans-123.4123.7176.1179.90000108.6Y318 W319 L1020 F1021 L1023 Q1032Y318-V1030 CarbonylContact C-O 3.49Å; Y318-V1030 VanDerWaalsContact CA-O 3.3Å; Y318-V1030 WeakPolarHBondContact CA-O 3.25Å; W319-V1030 HydrophobicContact CE3-CB 4.12Å; W319-V1030 HydrophobicContact CE3-CG1 3.84Å; W319-V1030 HydrophobicContact CZ3-CG1 4.13Å; W319-V1030 PolarHBondContact N-O 3.5Å; W319-V1030 PolarHBondContact O-N 2.88Å; W319-V1030 VanDerWaalsContact O-N 3.13Å; L1020-V1030 HydrophobicContact CD1-CG1 4.3Å; L1020-V1030 WeakPolarHBondContact O-CG2 3.33Å; F1021-V1030 HydrophobicContact CD1-CG2 3.83Å; F1021-V1030 HydrophobicContact CE1-CG2 4.16Å; L1023-V1030 HydrophobicContact CB-CG2 4.15Å; L1023-V1030 HydrophobicContact CD1-CG1 4.23Å; V1030-Q1032 PolarHBondContact O-N 3.15Å
1031L95.9Very high90.8Very high32 Ų3241.7 Ų41.717%0.16822%0.221CC..EExtended strand (participates in β ladder)trans-66.6129180-178.766.4000110D310 N313 H317 Y318D310-L1031 HydrophobicContact CB-CB 4.34Å; D310-L1031 HydrophobicContact CB-CD2 4Å; N313-L1031 HydrophobicContact CB-CD1 3.8Å; H317-L1031 HydrophobicContact CB-CD1 4.04Å; Y318-L1031 HydrophobicContact CD1-CB 4.14Å; Y318-L1031 HydrophobicContact CD1-CD1 4.32Å; Y318-L1031 HydrophobicContact CE1-CB 3.89Å; Y318-L1031 HydrophobicContact CE1-CD1 3.86Å; Y318-L1031 HydrophobicContact CE1-CG 4.47Å; Y318-L1031 HydrophobicContact CE2-CD1 4.31Å
1032Q95.3Very high90.1Very high3 Ų343 Ų431%0.01423%0.228CC..PPolyproline II helixtrans-65144.5175.2-68171.60.700110.7H317 W319 G999 V1030 M1036 R1037H317-Q1032 VanDerWaalsContact O-CB 3.24Å; H317-Q1032 WeakPolarHBondContact O-CB 3.04Å; H317-Q1032 VanDerWaalsContact O-CG 3.25Å; H317-Q1032 WeakPolarHBondContact O-CG 3.37Å; H317-Q1032 PolarHBondContact O-N 3.48Å; W319-Q1032 HydrophobicContact CD2-CG 3.99Å; W319-Q1032 HydrophobicContact CG-CG 4.29Å; W319-Q1032 HydrophobicContact CZ2-CB 4.42Å; W319-Q1032 HydrophobicContact CZ2-CG 3.98Å; G999-Q1032 PolarHBondContact O-NE2 3.13Å; V1030-Q1032 PolarHBondContact O-N 3.15Å; Q1032-M1036 HydrophobicContact CB-SD 4.11Å; Q1032-M1036 HydrophobicContact CG-SD 4.06Å; Q1032-R1037 HydrophobicContact CB-CG 4.28Å; Q1032-R1037 PolarHBondContact O-NE 2.93Å
1033P91.2Very high89.5Confident23 Ų2342.4 Ų42.415%0.14922%0.223CC..PPolyproline II helixtrans-52144.2178.2-28.935.3000112.2W319 M1035 M1036 R1037 E1117W319-P1033 HydrophobicContact CH2-CG 3.99Å; P1033-M1035 PolarHBondContact O-N 3.41Å; P1033-M1036 WeakPolarHBondContact O-CB 3.37Å; P1033-M1036 PolarHBondContact O-N 2.85Å; P1033-R1037 PolarHBondContact O-N 2.79Å; P1033-E1117 HydrophobicContact CB-CG 4.27Å; P1033-E1117 HydrophobicContact CG-CB 3.54Å; P1033-E1117 HydrophobicContact CG-CG 3.78Å
1034E88.3Confident88.7Confident161 Ų16146.1 Ų46.175%0.75224%0.24SC*.THydrogen-bonded Turntrans-53.5-40.6179.8-174.7174.4-17000112.5M1036 R1037 S1038E1034-M1036 PolarHBondContact O-N 3.29Å; E1034-R1037 PolarHBondContact O-N 2.92Å; E1034-R1037 VanDerWaalsContact O-N 3.17Å; E1034-S1038 PolarHBondContact O-N 2.83Å
1035M85.4Confident87.8Confident96 Ų9651.4 Ų51.447%0.47326%0.264SS..G310 helixtrans-59.5-43.5177.5-166.766.374.700112P1033 R1037 S1038 Y1041P1033-M1035 PolarHBondContact O-N 3.41Å; M1035-R1037 PolarHBondContact O-N 2.86Å; M1035-S1038 VanDerWaalsContact O-CB 3.3Å; M1035-S1038 WeakPolarHBondContact O-CB 3.41Å; M1035-S1038 PolarHBondContact O-N 2.96Å; M1035-Y1041 HydrophobicContact CB-CD2 4.41Å; M1035-Y1041 HydrophobicContact CG-CD2 3.84Å; M1035-Y1041 VanDerWaalsContact O-CB 3.32Å; M1035-Y1041 WeakPolarHBondContact O-CB 3.32Å
1036M88.8Confident87Confident3 Ų352.6 Ų52.62%0.01527%0.265CS..G310 helixtrans-61.2-28.5-179.3-175.3174.9-71.200112.7W319 R972 W996 Q1032 P1033 E1034 S1038 Y1041 L1118W319-M1036 HydrophobicContact CZ2-CE 3.87Å; W319-M1036 HydrophobicContact CZ2-SD 3.84Å; R972-M1036 PolarHBondContact NE-O 2.84Å; W996-M1036 WeakPolarHBondContact O-CE 3.3Å; Q1032-M1036 HydrophobicContact CB-SD 4.11Å; Q1032-M1036 HydrophobicContact CG-SD 4.06Å; P1033-M1036 WeakPolarHBondContact O-CB 3.37Å; P1033-M1036 PolarHBondContact O-N 2.85Å; E1034-M1036 PolarHBondContact O-N 3.29Å; M1036-S1038 VanDerWaalsContact C-N 3.33Å; M1036-Y1041 HydrophobicContact CB-CD1 4.31Å; M1036-Y1041 HydrophobicContact CB-CE1 4.2Å; M1036-Y1041 HydrophobicContact CB-CE2 4.47Å; M1036-Y1041 HydrophobicContact CB-CG 4.5Å; M1036-Y1041 HydrophobicContact CE-CE1 3.96Å; M1036-Y1041 WeakPolarHBondContact CE-OH 3.5Å; M1036-Y1041 HydrophobicContact CG-CD1 4.09Å; M1036-Y1041 HydrophobicContact CG-CE1 3.84Å; M1036-L1118 HydrophobicContact CE-CD1 3.95Å
1037R88.8Confident85.8Confident63 Ų6351.8 Ų51.824%0.23826%0.258CS..G310 helixtrans-83.8-8.7178.9-59.4-177.6-73.2132.1-4113N313 Q1032 P1033 E1034 M1035N313-R1037 PolarHBondContact OD1-NH1 3.2Å; Q1032-R1037 HydrophobicContact CB-CG 4.28Å; Q1032-R1037 PolarHBondContact O-NE 2.93Å; P1033-R1037 PolarHBondContact O-N 2.79Å; E1034-R1037 PolarHBondContact O-N 2.92Å; E1034-R1037 VanDerWaalsContact O-N 3.17Å; M1035-R1037 PolarHBondContact O-N 2.86Å
1038S87.4Confident84.8Confident45 Ų4560.1 Ų60.132%0.31529%0.294SS..SBendtrans-86.3149.9174-177.90000112.1R972 E1034 M1035 M1036 D1040 Y1041R972-S1038 PolarHBondContact NE-O 2.86Å; R972-S1038 PolarHBondContact NH2-O 2.89Å; E1034-S1038 PolarHBondContact O-N 2.83Å; M1035-S1038 VanDerWaalsContact O-CB 3.3Å; M1035-S1038 WeakPolarHBondContact O-CB 3.41Å; M1035-S1038 PolarHBondContact O-N 2.96Å; M1036-S1038 VanDerWaalsContact C-N 3.33Å; S1038-D1040 PolarHBondContact O-N 3.48Å; S1038-Y1041 PolarHBondContact O-N 3.21Å
1039D83.4Confident84.1Confident122 Ų12267.5 Ų67.565%0.65233%0.326SS*.THydrogen-bonded Turntrans-64.7-25.6179.2-78.2-29.6000114.5R972 Y1041R972-D1039 IonicContact CZ-OD1 3.14Å; R972-D1039 IonicContact NH1-OD1 3.06Å; R972-D1039 PolarHBondContact NH1-OD1 3.09Å; D1039-Y1041 VanDerWaalsContact C-N 3.31Å; D1039-Y1041 PolarHBondContact O-N 2.86Å
1040D82.8Confident83.5Confident144 Ų14470 Ų7077%0.7734%0.341SS*.THydrogen-bonded Turntrans-82-4.1-177.9-63.1-42.3000114.2S1038 D1042S1038-D1040 PolarHBondContact O-N 3.48Å; D1040-D1042 PolarHBondContact O-N 2.93Å
1041Y84.4Confident83.1Confident12 Ų1272.7 Ų72.75%0.04735%0.352CS..  trans-64.1123.1-178.8-177.9-114.1000112.3L968 A997 M1035 M1036 S1038 D1039 P1043 E1046 E1115L968-Y1041 HydrophobicContact CD1-CD1 4.24Å; L968-Y1041 HydrophobicContact CD2-CD1 3.93Å; L968-Y1041 HydrophobicContact CD2-CE1 4.11Å; A997-Y1041 WeakPolarHBondContact O-CE1 3.26Å; A997-Y1041 PolarHBondContact O-OH 3.06Å; M1035-Y1041 HydrophobicContact CB-CD2 4.41Å; M1035-Y1041 HydrophobicContact CG-CD2 3.84Å; M1035-Y1041 VanDerWaalsContact O-CB 3.32Å; M1035-Y1041 WeakPolarHBondContact O-CB 3.32Å; M1036-Y1041 HydrophobicContact CB-CD1 4.31Å; M1036-Y1041 HydrophobicContact CB-CE1 4.2Å; M1036-Y1041 HydrophobicContact CB-CE2 4.47Å; M1036-Y1041 HydrophobicContact CB-CG 4.5Å; M1036-Y1041 HydrophobicContact CE-CE1 3.96Å; M1036-Y1041 WeakPolarHBondContact CE-OH 3.5Å; M1036-Y1041 HydrophobicContact CG-CD1 4.09Å; M1036-Y1041 HydrophobicContact CG-CE1 3.84Å; S1038-Y1041 PolarHBondContact O-N 3.21Å; D1039-Y1041 VanDerWaalsContact C-N 3.31Å; D1039-Y1041 PolarHBondContact O-N 2.86Å; Y1041-P1043 HydrophobicContact CD1-CG 4.16Å; Y1041-P1043 HydrophobicContact CE1-CB 4.32Å; Y1041-P1043 HydrophobicContact CE1-CG 3.57Å; Y1041-E1046 HydrophobicContact CD2-CG 4.13Å; Y1041-E1046 HydrophobicContact CE2-CG 3.84Å; Y1041-E1115 PolarHBondContact OH-OE1 2.99Å
1042D81.8Confident82.8Confident36 Ų3674 Ų7419%0.19336%0.355CS..  trans-125110.1168.9-175.2-9.9000109D1040 H1044 Q1045 E1046D1040-D1042 PolarHBondContact O-N 2.93Å; D1042-H1044 PolarHBondContact O-N 2.87Å; D1042-H1044 WeakPolarHBondContact OD1-CB 3.29Å; D1042-H1044 IonicContact OD1-CG 2.88Å; D1042-H1044 PolarHBondContact OD1-N 3.33Å; D1042-H1044 IonicContact OD1-ND1 3.44Å; D1042-H1044 PolarHBondContact OD1-ND1 2.8Å; D1042-Q1045 HydrophobicContact CB-CB 4.1Å; D1042-Q1045 HydrophobicContact CB-CG 3.9Å; D1042-Q1045 PolarHBondContact O-N 2.82Å; D1042-Q1045 WeakPolarHBondContact OD2-CG 3.48Å; D1042-Q1045 PolarHBondContact OD2-NE2 3.17Å; D1042-E1046 PolarHBondContact O-N 2.92Å
1043P79.1Confident82.7Confident8 Ų874.6 Ų74.65%0.05236%0.359CS..THydrogen-bonded Turntrans-55.3-20.8177-20.326.2000113.3L968 A997 Y1041 K1047L968-P1043 HydrophobicContact CD1-CG 4.01Å; A997-P1043 WeakPolarHBondContact O-CG 3.46Å; Y1041-P1043 HydrophobicContact CD1-CG 4.16Å; Y1041-P1043 HydrophobicContact CE1-CB 4.32Å; Y1041-P1043 HydrophobicContact CE1-CG 3.57Å; P1043-K1047 VanDerWaalsContact O-CD 3.27Å; P1043-K1047 WeakPolarHBondContact O-CD 3.33Å; P1043-K1047 WeakPolarHBondContact O-CE 3.43Å; P1043-K1047 WeakPolarHBondContact O-CG 3.47Å
1044H76.5Confident82.9Confident93 Ų9373.5 Ų73.543%0.43135%0.352SS..THydrogen-bonded Turntrans-85.6-22.6178.4-61.582000113.7D1042D1042-H1044 PolarHBondContact O-N 2.87Å; D1042-H1044 WeakPolarHBondContact OD1-CB 3.29Å; D1042-H1044 IonicContact OD1-CG 2.88Å; D1042-H1044 PolarHBondContact OD1-N 3.33Å; D1042-H1044 IonicContact OD1-ND1 3.44Å; D1042-H1044 PolarHBondContact OD1-ND1 2.8Å
1045Q71.3Confident83.2Confident126 Ų12669.9 Ų69.959%0.58933%0.332SS*.THydrogen-bonded Turntrans-86-38.1179.4-67.9179.63300111.7D1042 K1047 K1048D1042-Q1045 HydrophobicContact CB-CB 4.1Å; D1042-Q1045 HydrophobicContact CB-CG 3.9Å; D1042-Q1045 PolarHBondContact O-N 2.82Å; D1042-Q1045 WeakPolarHBondContact OD2-CG 3.48Å; D1042-Q1045 PolarHBondContact OD2-NE2 3.17Å; Q1045-K1047 PolarHBondContact O-N 2.88Å; Q1045-K1047 VanDerWaalsContact O-N 3.08Å; Q1045-K1048 PolarHBondContact O-N 2.89Å
1046E69.2Low83.6Confident42 Ų4265.5 Ų65.520%0.19631%0.31CS..G310 helixtrans-59.5-21.1175.3-70.6-65.8134.600112.7Y1041 D1042 K1048 K1051Y1041-E1046 HydrophobicContact CD2-CG 4.13Å; Y1041-E1046 HydrophobicContact CE2-CG 3.84Å; D1042-E1046 PolarHBondContact O-N 2.92Å; E1046-K1048 PolarHBondContact O-N 2.91Å; E1046-K1048 VanDerWaalsContact O-N 3.15Å; E1046-K1051 IonicContact OE2-NZ 2.6Å; E1046-K1051 PolarHBondContact OE2-NZ 2.81Å
1047K67.6Low83.8Confident67 Ų6766 Ų6629%0.29131%0.313SS..G310 helixtrans-67.8-5.1176.7-69.9-179.4176.4-172.20115.6P1043 Q1045 H1083 F1114P1043-K1047 VanDerWaalsContact O-CD 3.27Å; P1043-K1047 WeakPolarHBondContact O-CD 3.33Å; P1043-K1047 WeakPolarHBondContact O-CE 3.43Å; P1043-K1047 WeakPolarHBondContact O-CG 3.47Å; Q1045-K1047 PolarHBondContact O-N 2.88Å; Q1045-K1047 VanDerWaalsContact O-N 3.08Å; K1047-H1083 WeakPolarHBondContact CB-NE2 3.48Å; K1047-H1083 WeakPolarHBondContact CD-CE1 3.1Å; K1047-H1083 WeakPolarHBondContact CD-ND1 3.46Å; K1047-H1083 WeakPolarHBondContact CE-ND1 3.36Å; K1047-H1083 WeakPolarHBondContact CG-CE1 3.05Å; K1047-H1083 WeakPolarHBondContact CG-ND1 3.1Å; K1047-H1083 VanDerWaalsContact CG-NE2 3.34Å; K1047-H1083 WeakPolarHBondContact CG-NE2 3.45Å; K1047-H1083 PolarHBondContact O-NE2 2.7Å; K1047-F1114 VanDerWaalsContact O-CD1 3.26Å; K1047-F1114 WeakPolarHBondContact O-CD1 3.16Å; K1047-F1114 WeakPolarHBondContact O-CE1 3.47Å
1048K73.5Confident84.1Confident175 Ų17563.2 Ų63.276%0.76130%0.303SS*.G310 helixtrans-106.6-15.9-172.5-64.2-174.2-179.3-179.90114.7Q1045 E1046Q1045-K1048 PolarHBondContact O-N 2.89Å; E1046-K1048 PolarHBondContact O-N 2.91Å; E1046-K1048 VanDerWaalsContact O-N 3.15Å
1049K81.6Confident84.3Confident155 Ų15561.5 Ų61.567%0.67429%0.29SS*.SBendtrans-110.4114.2-176-171.6178.4-178.9179.60110.9K1051K1049-K1051 PolarHBondContact O-N 2.85Å
1050V85.1Confident84.7Confident52 Ų5255.7 Ų55.732%0.31526%0.259SS..  trans-66.4123.2172.7-177.50000108.7Y1052 F1114 A1178V1050-Y1052 VanDerWaalsContact CG1-O 3.28Å; V1050-Y1052 WeakPolarHBondContact CG1-O 3.5Å; V1050-F1114 HydrophobicContact CG2-CD1 4.18Å; V1050-F1114 HydrophobicContact CG2-CE1 3.61Å; V1050-F1114 HydrophobicContact CG2-CZ 3.92Å; V1050-A1178 WeakPolarHBondContact O-CB 3.15Å
1051K87.4Confident85.3Confident69 Ų6948.9 Ų48.930%0.322%0.222SC..  trans-99.6-36.4177.1-66.3-175.3-171.7167.10111.1E1046 K1049 V1113 F1114 P1116 A1178E1046-K1051 IonicContact OE2-NZ 2.6Å; E1046-K1051 PolarHBondContact OE2-NZ 2.81Å; K1049-K1051 PolarHBondContact O-N 2.85Å; K1051-V1113 PolarHBondContact N-O 3.07Å; K1051-F1114 VanDerWaalsContact CD-O 3.23Å; K1051-F1114 WeakPolarHBondContact CD-O 3.48Å; K1051-F1114 WeakPolarHBondContact CE-O 3.34Å; K1051-F1114 WeakPolarHBondContact CG-O 3.39Å; K1051-P1116 HydrophobicContact CB-CG 3.88Å; K1051-P1116 HydrophobicContact CD-CG 4.41Å; K1051-A1178 PolarHBondContact O-N 2.85Å
1052Y90.8Very high85.8Confident59 Ų5948.7 Ų48.723%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-132.9143.6-179.5-76.5-117.5000110V1050 V1113 P1116 V1175 Q1176 Q1177V1050-Y1052 VanDerWaalsContact CG1-O 3.28Å; V1050-Y1052 WeakPolarHBondContact CG1-O 3.5Å; Y1052-V1113 PolarHBondContact N-O 3.13Å; Y1052-V1113 PolarHBondContact O-N 3.49Å; Y1052-P1116 HydrophobicContact CD2-CB 3.87Å; Y1052-P1116 HydrophobicContact CD2-CG 3.14Å; Y1052-P1116 HydrophobicContact CE2-CB 3.89Å; Y1052-P1116 HydrophobicContact CE2-CG 3.44Å; Y1052-P1116 VanDerWaalsContact CE2-CG 3.44Å; Y1052-P1116 HydrophobicContact CG-CB 4.49Å; Y1052-P1116 HydrophobicContact CG-CG 4.01Å; Y1052-V1175 HydrophobicContact CD1-CG1 3.48Å; Y1052-V1175 VanDerWaalsContact CD1-CG1 3.48Å; Y1052-V1175 HydrophobicContact CE1-CG1 3.9Å; Y1052-Q1176 CarbonylContact C-O 3.5Å; Y1052-Q1176 VanDerWaalsContact CA-O 3.28Å; Y1052-Q1176 WeakPolarHBondContact CA-O 3.34Å; Y1052-Q1177 HydrophobicContact CE2-CG 4.19Å
1053S93.1Very high86.4Confident15 Ų1547.9 Ų47.911%0.10522%0.216CC..EExtended strand (participates in β ladder)trans-113.6127.2164.1166.70000107.9E1110 Q1176S1053-E1110 WeakPolarHBondContact OG-CG 3.29Å; S1053-E1110 PolarHBondContact OG-OE1 3.26Å; S1053-Q1176 PolarHBondContact N-O 3.22Å; S1053-Q1176 PolarHBondContact O-N 3.14Å
1054I94.4Very high87.2Confident0 Ų047.8 Ų47.80%022%0.215CC..EExtended strand (participates in β ladder)trans-116118-179.4-53.2179.7000108.4V1056 E1110 F1111 V1113 V1144 I1173 N1174 V1175I1054-V1056 HydrophobicContact CG2-CG2 3.63Å; I1054-E1110 CarbonylContact O-C 3.42Å; I1054-E1110 WeakPolarHBondContact O-CA 3.19Å; I1054-F1111 HydrophobicContact CB-CB 4.46Å; I1054-F1111 PolarHBondContact N-O 2.94Å; I1054-F1111 PolarHBondContact O-N 3.3Å; I1054-V1113 HydrophobicContact CD1-CG2 3.69Å; I1054-V1113 HydrophobicContact CG1-CG2 4Å; I1054-V1144 HydrophobicContact CD1-CB 4.37Å; I1054-V1144 HydrophobicContact CD1-CG1 3.68Å; I1054-V1144 HydrophobicContact CD1-CG2 3.81Å; I1054-I1173 HydrophobicContact CG2-CD1 3.77Å; I1054-I1173 HydrophobicContact CG2-CG1 3.88Å; I1054-N1174 WeakPolarHBondContact CA-O 3.21Å; I1054-V1175 HydrophobicContact CG2-CG2 4.38Å
1055R94.5Very high88Confident86 Ų8645 Ų4533%0.32521%0.206SC..EExtended strand (participates in β ladder)trans-99.8123.8172.2-71.2-175.2-73.6172.8-5110P1108 V1109 E1110 I1173 N1174R1055-P1108 HydrophobicContact CB-CB 4.07Å; R1055-V1109 CarbonylContact C-O 3.55Å; R1055-V1109 VanDerWaalsContact CA-O 3.26Å; R1055-V1109 WeakPolarHBondContact CA-O 3.45Å; R1055-E1110 HydrophobicContact CG-CB 4.08Å; R1055-E1110 HydrophobicContact CG-CG 4.07Å; R1055-I1173 CarbonylContact O-C 3.54Å; R1055-I1173 VanDerWaalsContact O-CA 3.26Å; R1055-I1173 WeakPolarHBondContact O-CA 3.42Å; R1055-N1174 HydrophobicContact CB-CB 4.41Å; R1055-N1174 PolarHBondContact N-O 2.67Å; R1055-N1174 PolarHBondContact NH2-ND2 2.98Å; R1055-N1174 PolarHBondContact O-N 3.48Å
1056V94.6Very high88.7Confident3 Ų342 Ų422%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-127.1134.7-175.4-171.90000110.8I1054 V1078 V1109 F1111 L1121 F1123 Y1172 I1173I1054-V1056 HydrophobicContact CG2-CG2 3.63Å; V1056-V1078 HydrophobicContact CG1-CG1 4.41Å; V1056-V1109 PolarHBondContact N-O 2.64Å; V1056-V1109 PolarHBondContact O-N 3.4Å; V1056-F1111 HydrophobicContact CB-CE2 4.23Å; V1056-F1111 HydrophobicContact CG2-CD2 4.04Å; V1056-F1111 HydrophobicContact CG2-CE2 4.07Å; V1056-L1121 HydrophobicContact CG2-CD2 4.07Å; V1056-F1123 HydrophobicContact CG1-CE1 4.07Å; V1056-F1123 HydrophobicContact CG1-CZ 4.33Å; V1056-Y1172 CarbonylContact C-O 3.58Å; V1056-Y1172 WeakPolarHBondContact CA-O 3.47Å; V1056-I1173 HydrophobicContact CG2-CD1 4.02Å; V1056-I1173 HydrophobicContact CG2-CG1 4.18Å
1057K92.5Very high89Confident15 Ų1541.2 Ų41.27%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-133.6120.9172179.4174.5174.9177.20109.3E217 E221 I1059 A1106 P1108 V1171 Y1172E217-K1057 IonicContact OE1-NZ 3.48Å; E217-K1057 PolarHBondContact OE1-NZ 3.23Å; E221-K1057 IonicContact OE1-NZ 2.67Å; K1057-I1059 HydrophobicContact CG-CG1 4.47Å; K1057-A1106 PolarHBondContact NZ-O 3.29Å; K1057-P1108 HydrophobicContact CB-CB 4.17Å; K1057-P1108 HydrophobicContact CB-CG 4.27Å; K1057-P1108 HydrophobicContact CD-CG 4.39Å; K1057-V1171 CarbonylContact O-C 3.52Å; K1057-V1171 VanDerWaalsContact O-CA 3.25Å; K1057-V1171 WeakPolarHBondContact O-CA 3.39Å; K1057-Y1172 PolarHBondContact N-O 2.74Å; K1057-Y1172 PolarHBondContact O-N 2.64Å
1058V94.2Very high89.3Confident4 Ų440.7 Ų40.72%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-83.7123.5174.5-178.90000108.4V1076 V1078 T1090 W1102 V1171V1058-V1076 HydrophobicContact CG1-CB 4.12Å; V1058-V1076 HydrophobicContact CG1-CG1 4.36Å; V1058-V1076 HydrophobicContact CG1-CG2 3.96Å; V1058-V1076 HydrophobicContact CG2-CB 4.45Å; V1058-V1076 HydrophobicContact CG2-CG1 4.13Å; V1058-V1078 HydrophobicContact CG2-CG2 3.67Å; V1058-T1090 HydrophobicContact CB-CG2 3.86Å; V1058-T1090 HydrophobicContact CG1-CG2 4.15Å; V1058-T1090 HydrophobicContact CG2-CG2 4.23Å; V1058-W1102 HydrophobicContact CG1-CE3 3.84Å; V1058-W1102 HydrophobicContact CG1-CZ3 4.15Å; V1058-V1171 HydrophobicContact CG2-CG1 4.33Å
1059I91.4Very high89.3Confident9 Ų937.4 Ų37.45%0.04619%0.186CC..EExtended strand (participates in β ladder)trans-102.8-54.2-173.6-57.8173.5000110.3K1057 V1101 W1102 Y1151 L1170K1057-I1059 HydrophobicContact CG-CG1 4.47Å; I1059-V1101 CarbonylContact O-C 3.58Å; I1059-W1102 PolarHBondContact O-N 2.97Å; I1059-Y1151 HydrophobicContact CD1-CD1 3.77Å; I1059-Y1151 HydrophobicContact CD1-CE1 4.01Å; I1059-L1170 HydrophobicContact CB-CG 4.34Å; I1059-L1170 WeakPolarHBondContact CB-O 3.31Å; I1059-L1170 HydrophobicContact CD1-CG 4.34Å; I1059-L1170 HydrophobicContact CG2-CD2 4.38Å; I1059-L1170 PolarHBondContact N-O 3.15Å
1060A92.9Very high89.2Confident0 Ų031.2 Ų31.20%016%0.162CC..EExtended strand (participates in β ladder)trans-159.4170.7-171.600000112.1I214 F292 P1100 V1101 L1169 L1170I214-A1060 HydrophobicContact CD1-CB 3.87Å; F292-A1060 HydrophobicContact CE1-CB 4.2Å; F292-A1060 HydrophobicContact CZ-CB 3.67Å; A1060-P1100 CarbonylContact C-O 3.59Å; A1060-P1100 VanDerWaalsContact CA-O 3.22Å; A1060-P1100 WeakPolarHBondContact CA-O 3.42Å; A1060-P1100 WeakPolarHBondContact CB-O 3.31Å; A1060-V1101 HydrophobicContact CB-CB 4.39Å; A1060-V1101 HydrophobicContact CB-CG1 4.4Å; A1060-V1101 HydrophobicContact CB-CG2 4.02Å; A1060-L1169 CarbonylContact O-C 3.54Å; A1060-L1169 WeakPolarHBondContact O-CA 3.18Å; A1060-L1170 PolarHBondContact N-O 3.35Å; A1060-L1170 PolarHBondContact O-N 3.43Å
1061A94.9Very high89.3Confident0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-134.4162.1171.200000111.7L1064 N1099 P1100 W1102 A1168 L1169A1061-L1064 HydrophobicContact CB-CD1 3.9Å; A1061-L1064 HydrophobicContact CB-CD2 3.92Å; A1061-L1064 HydrophobicContact CB-CG 3.94Å; A1061-N1099 CarbonylContact O-C 3.5Å; A1061-N1099 VanDerWaalsContact O-CA 3.31Å; A1061-N1099 WeakPolarHBondContact O-CA 3.32Å; A1061-P1100 HydrophobicContact CB-CG 3.83Å; A1061-P1100 PolarHBondContact N-O 3.2Å; A1061-P1100 WeakPolarHBondContact O-CD 3.25Å; A1061-W1102 HydrophobicContact CB-CH2 3.83Å; A1061-W1102 HydrophobicContact CB-CZ3 3.77Å; A1061-A1168 CarbonylContact C-O 3.51Å; A1061-A1168 VanDerWaalsContact CA-O 3.25Å; A1061-A1168 WeakPolarHBondContact CA-O 3.12Å; A1061-L1169 HydrophobicContact CB-CD2 3.49Å; A1061-L1169 VanDerWaalsContact CB-CD2 3.49Å
1062R94.8Very high89.3Confident9 Ų926.1 Ų26.13%0.03414%0.136CC..EExtended strand (participates in β ladder)trans-133.2147.1169.9-70-175.4172.7-172.3-4.1111M208 S289 F292 L1064 L1098 A1167 A1168M208-R1062 HydrophobicContact CE-CB 3.99Å; M208-R1062 VanDerWaalsContact CE-CD 3.41Å; M208-R1062 HydrophobicContact CE-CG 3.53Å; S289-R1062 PolarHBondContact OG-NH1 3.4Å; F292-R1062 HydrophobicContact CD1-CB 4.13Å; F292-R1062 HydrophobicContact CD1-CG 3.72Å; F292-R1062 HydrophobicContact CD2-CG 4.3Å; F292-R1062 HydrophobicContact CE1-CB 4.39Å; F292-R1062 HydrophobicContact CE1-CG 3.73Å; F292-R1062 HydrophobicContact CE2-CG 4.31Å; F292-R1062 HydrophobicContact CG-CG 4.01Å; F292-R1062 HydrophobicContact CZ-CG 4.01Å; R1062-L1064 PolarHBondContact O-N 2.91Å; R1062-L1098 CarbonylContact C-O 3.49Å; R1062-L1098 VanDerWaalsContact CA-O 3.23Å; R1062-L1098 WeakPolarHBondContact CA-O 3.32Å; R1062-A1167 VanDerWaalsContact O-CA 3.31Å; R1062-A1167 WeakPolarHBondContact O-CA 3.13Å; R1062-A1168 PolarHBondContact N-O 2.95Å; R1062-A1168 PolarHBondContact O-N 2.89Å; R1062-A1168 VanDerWaalsContact O-N 3.09Å
1063H95.2Very high89.4Confident18 Ų1824 Ų248%0.08313%0.13CC..SBendtrans50.244.2173.1-52.193.2000115.2W143 Y204 L1098 L1166 A1167W143-H1063 AromaticContact CH2-CD2 3.7Å; W143-H1063 AromaticContact CH2-NE2 3.91Å; W143-H1063 AromaticContact CZ2-CD2 3.67Å; W143-H1063 AromaticContact CZ3-NE2 3.85Å; Y204-H1063 AromaticContact CE2-NE2 3.72Å; Y204-H1063 AromaticContact CZ-NE2 3.82Å; Y204-H1063 PolarHBondContact OH-CE1 3.23Å; Y204-H1063 PolarHBondContact OH-NE2 3.39Å; Y204-H1063 VanDerWaalsContact OH-NE2 3.12Å; H1063-L1098 PolarHBondContact N-O 3.25Å; H1063-L1166 HydrophobicContact CB-CB 4.07Å; H1063-L1166 PolarHBondContact ND1-O 3.43Å; H1063-A1167 VanDerWaalsContact O-CB 3.22Å; H1063-A1167 WeakPolarHBondContact O-CB 3.4Å
1064L96.1Very high89.5Confident6 Ų623.3 Ų23.33%0.03113%0.125CC..PPolyproline II helixtrans-64.6141.7176.2-60.5176.8000110.7N172 A1061 R1062 P1074 G1097 P1100 V1125 L1156N172-L1064 PolarHBondContact ND2-O 3.12Å; A1061-L1064 HydrophobicContact CB-CD1 3.9Å; A1061-L1064 HydrophobicContact CB-CD2 3.92Å; A1061-L1064 HydrophobicContact CB-CG 3.94Å; R1062-L1064 PolarHBondContact O-N 2.91Å; L1064-P1074 HydrophobicContact CD1-CB 3.5Å; L1064-P1074 HydrophobicContact CD1-CG 3.7Å; L1064-G1097 WeakPolarHBondContact CB-O 3.38Å; L1064-G1097 WeakPolarHBondContact CG-O 3.28Å; L1064-G1097 PolarHBondContact N-O 3.25Å; L1064-P1100 HydrophobicContact CD1-CG 4.02Å; L1064-V1125 HydrophobicContact CD1-CG1 3.88Å; L1064-V1125 HydrophobicContact CD2-CG1 3.98Å; L1064-V1125 HydrophobicContact CD2-CG2 4.31Å; L1064-L1156 HydrophobicContact CD2-CD1 3.39Å
1065P92.4Very high89.6Confident36 Ų3624 Ų2423%0.23413%0.128CC..PPolyproline II helixtrans-64.1151.6-178.527.9-34.3000110.9N172 L1137 A1138 L1164N172-P1065 PolarHBondContact ND2-O 3.1Å; P1065-L1137 HydrophobicContact CG-CB 3.98Å; P1065-L1137 VanDerWaalsContact CG-O 3.28Å; P1065-L1137 WeakPolarHBondContact CG-O 3.42Å; P1065-A1138 HydrophobicContact CG-CB 4.29Å; P1065-L1164 HydrophobicContact CG-CD1 3.98Å
1066K85.8Confident89.7Confident62 Ų6219.9 Ų19.927%0.2711%0.112SC..PPolyproline II helixtrans-88.2129.9-175.4-169178176.21760111.7P169 G1068 R1069 S1070P169-K1066 WeakPolarHBondContact O-CE 3.5Å; P169-K1066 PolarHBondContact O-NZ 3.32Å; K1066-G1068 WeakPolarHBondContact CE-O 3.28Å; K1066-G1068 PolarHBondContact O-N 2.76Å; K1066-R1069 VanDerWaalsContact CE-C 3.49Å; K1066-R1069 WeakPolarHBondContact CE-O 3.34Å; K1066-R1069 PolarHBondContact NZ-O 3.33Å; K1066-S1070 WeakPolarHBondContact CE-O 3.39Å; K1066-S1070 VanDerWaalsContact CG-O 3.32Å; K1066-S1070 WeakPolarHBondContact CG-O 3.26Å
1067P77.1Confident89.8Confident26 Ų2620.3 Ų20.317%0.16911%0.114CC..  trans-80.479175.429-29.1000110.6R1069 S1070 A1072 E1127 L1137P1067-R1069 PolarHBondContact O-N 2.86Å; P1067-S1070 PolarHBondContact O-OG 2.91Å; P1067-S1070 VanDerWaalsContact O-OG 3.1Å; P1067-A1072 HydrophobicContact CG-CB 4Å; P1067-E1127 HydrophobicContact CB-CG 4.06Å; P1067-E1127 WeakPolarHBondContact CB-OE1 3.39Å; P1067-E1127 VanDerWaalsContact CG-CD 3.42Å; P1067-E1127 HydrophobicContact CG-CG 4.12Å; P1067-E1127 WeakPolarHBondContact CG-OE2 3.27Å; P1067-L1137 HydrophobicContact CB-CD2 3.95Å; P1067-L1137 HydrophobicContact CG-CD2 4.18Å
1068G73.9Confident90Very high56 Ų5619.7 Ų19.758%0.57711%0.112SC*.THydrogen-bonded Turntrans67.2-122179.700000113.1K1066K1066-G1068 WeakPolarHBondContact CE-O 3.28Å; K1066-G1068 PolarHBondContact O-N 2.76Å
1069R73.6Confident90.1Very high106 Ų10620 Ų2040%0.411%0.113SC..THydrogen-bonded Turntrans-88.7-28.7-175.8-79-172.3172.9-171.6-0.2113.5T698 E705 Y709 K1066 P1067T698-R1069 HydrophobicContact CG2-CB 4.01Å; E705-R1069 IonicContact OE1-CZ 3.12Å; E705-R1069 IonicContact OE1-NH1 2.71Å; E705-R1069 PolarHBondContact OE1-NH1 3.42Å; E705-R1069 IonicContact OE1-NH2 3.63Å; E705-R1069 PolarHBondContact OE1-NH2 2.81Å; Y709-R1069 HydrophobicContact CE2-CG 4.24Å; K1066-R1069 VanDerWaalsContact CE-C 3.49Å; K1066-R1069 WeakPolarHBondContact CE-O 3.34Å; K1066-R1069 PolarHBondContact NZ-O 3.33Å; P1067-R1069 PolarHBondContact O-N 2.86Å
1070S79.2Confident90.3Very high25 Ų2519.6 Ų19.618%0.17511%0.111CC..SBendtrans-74.6158.8-177.446.80000112.6K1066 P1067K1066-S1070 WeakPolarHBondContact CE-O 3.39Å; K1066-S1070 VanDerWaalsContact CG-O 3.32Å; K1066-S1070 WeakPolarHBondContact CG-O 3.26Å; P1067-S1070 PolarHBondContact O-OG 2.91Å; P1067-S1070 VanDerWaalsContact O-OG 3.1Å
1071I86.3Confident90.3Very high13 Ų1319.7 Ų19.77%0.06711%0.111CC..PPolyproline II helixtrans-81.7133166.1-55.8175.4000107.4N172 K174 T697 D1095N172-I1071 WeakPolarHBondContact OD1-CA 3.22Å; N172-I1071 WeakPolarHBondContact OD1-CG2 3.46Å; K174-I1071 HydrophobicContact CB-CD1 4.06Å; T697-I1071 HydrophobicContact CG2-CB 4Å; T697-I1071 HydrophobicContact CG2-CD1 4Å; T697-I1071 HydrophobicContact CG2-CG1 4.13Å; T697-I1071 PolarHBondContact OG1-N 3.44Å; I1071-D1095 VanDerWaalsContact CG2-C 3.4Å; I1071-D1095 WeakPolarHBondContact CG2-O 3.28Å
1072A88.4Confident90Very high0 Ų020 Ų200%012%0.115CC..PPolyproline II helixtrans-62.5141.2-178.500000111.5N172 P1067 P1074 N1096 E1127 L1137N172-A1072 PolarHBondContact OD1-N 3.28Å; P1067-A1072 HydrophobicContact CG-CB 4Å; A1072-P1074 VanDerWaalsContact C-CD 3.47Å; A1072-P1074 VanDerWaalsContact O-CD 3.25Å; A1072-P1074 WeakPolarHBondContact O-CD 3.26Å; A1072-N1096 CarbonylContact O-C 3.58Å; A1072-N1096 PolarHBondContact O-N 2.79Å; A1072-E1127 HydrophobicContact CB-CB 4.48Å; A1072-L1137 HydrophobicContact CB-CD1 4.04Å
1073S92.2Very high89.4Confident15 Ų1522.1 Ų22.111%0.10513%0.125CC..  trans-108.683162.7-67.20000109.6Y1093 D1095 E1127 E1128S1073-Y1093 CarbonylContact C-O 3.43Å; S1073-Y1093 WeakPolarHBondContact CA-O 3.26Å; S1073-Y1093 WeakPolarHBondContact CB-O 3.35Å; S1073-D1095 PolarHBondContact OG-N 2.93Å; S1073-D1095 VanDerWaalsContact OG-N 3.07Å; S1073-E1127 WeakPolarHBondContact O-CA 3.29Å; S1073-E1128 PolarHBondContact O-N 2.73Å
1074P95.4Very high88.5Confident0 Ų022.2 Ų22.20%013%0.128CC..EExtended strand (participates in β ladder)trans-79.3148.7-166.631.6-37.6000114.1L1064 A1072 Y1093 N1096 P1100 W1102 V1125 N1126L1064-P1074 HydrophobicContact CD1-CB 3.5Å; L1064-P1074 HydrophobicContact CD1-CG 3.7Å; A1072-P1074 VanDerWaalsContact C-CD 3.47Å; A1072-P1074 VanDerWaalsContact O-CD 3.25Å; A1072-P1074 WeakPolarHBondContact O-CD 3.26Å; P1074-Y1093 WeakPolarHBondContact CD-O 3.21Å; P1074-Y1093 PolarHBondContact O-N 2.83Å; P1074-N1096 VanDerWaalsContact CD-O 3.26Å; P1074-N1096 WeakPolarHBondContact CD-O 3.34Å; P1074-N1096 VanDerWaalsContact CG-O 3.29Å; P1074-N1096 WeakPolarHBondContact CG-O 3.37Å; P1074-P1100 HydrophobicContact CG-CB 4.15Å; P1074-P1100 HydrophobicContact CG-CG 3.9Å; P1074-W1102 HydrophobicContact CB-CZ2 4.22Å; P1074-W1102 HydrophobicContact CG-CZ2 4.21Å; P1074-V1125 HydrophobicContact CB-CG1 4.18Å; P1074-N1126 CarbonylContact C-O 3.23Å; P1074-N1126 VanDerWaalsContact CA-O 3.27Å; P1074-N1126 WeakPolarHBondContact CA-O 3.47Å
1075F95.9Very high88Confident14 Ų1427.4 Ų27.46%0.06115%0.152CC..EExtended strand (participates in β ladder)trans-137.8157.4160.971.6-85.4000109.9K1089 V1092 N1126 P1134F1075-K1089 HydrophobicContact CE2-CD 4.18Å; F1075-V1092 HydrophobicContact CB-CG2 4.06Å; F1075-V1092 HydrophobicContact CD1-CG2 3.97Å; F1075-V1092 HydrophobicContact CG-CG2 4.24Å; F1075-N1126 HydrophobicContact CD1-CB 4.17Å; F1075-N1126 HydrophobicContact CE1-CB 3.51Å; F1075-N1126 HydrophobicContact CE2-CB 4.12Å; F1075-N1126 HydrophobicContact CZ-CB 3.48Å; F1075-N1126 VanDerWaalsContact CZ-CB 3.48Å; F1075-N1126 PolarHBondContact N-O 2.72Å; F1075-N1126 PolarHBondContact O-N 3.37Å; F1075-P1134 HydrophobicContact CE1-CB 3.98Å; F1075-P1134 HydrophobicContact CZ-CB 3.68Å
1076V97Very high87.9Confident0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-112.3128.4-178.4-174.30000109.6V1058 V1078 K1089 T1090 W1102 V1124 V1125 L1169V1058-V1076 HydrophobicContact CG1-CB 4.12Å; V1058-V1076 HydrophobicContact CG1-CG1 4.36Å; V1058-V1076 HydrophobicContact CG1-CG2 3.96Å; V1058-V1076 HydrophobicContact CG2-CB 4.45Å; V1058-V1076 HydrophobicContact CG2-CG1 4.13Å; V1076-V1078 HydrophobicContact CG1-CG2 4.24Å; V1076-K1089 WeakPolarHBondContact O-CA 3.4Å; V1076-T1090 HydrophobicContact CB-CG2 4.07Å; V1076-T1090 PolarHBondContact N-OG1 2.99Å; V1076-T1090 PolarHBondContact O-N 3.23Å; V1076-W1102 HydrophobicContact CG2-CH2 3.62Å; V1076-W1102 HydrophobicContact CG2-CZ2 3.9Å; V1076-W1102 HydrophobicContact CG2-CZ3 3.97Å; V1076-V1124 CarbonylContact C-O 3.56Å; V1076-V1124 WeakPolarHBondContact CA-O 3.44Å; V1076-V1125 HydrophobicContact CG2-CG2 4.3Å; V1076-L1169 HydrophobicContact CG1-CD1 3.8Å; V1076-L1169 HydrophobicContact CG2-CD1 4.22Å; V1076-L1169 HydrophobicContact CG2-CD2 4.02Å
1077E96.3Very high88.2Confident13 Ų1331.2 Ų31.26%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-101.7121.9168.1-178.3166.3153.700108.9E1079 K1087 F1088 K1089 F1123 V1124E1077-E1079 HydrophobicContact CG-CG 3.9Å; E1077-K1087 WeakPolarHBondContact OE1-CD 3.41Å; E1077-K1087 IonicContact OE1-NZ 3.04Å; E1077-K1087 PolarHBondContact OE1-NZ 2.88Å; E1077-F1088 CarbonylContact C-O 3.47Å; E1077-F1088 VanDerWaalsContact CA-O 3.29Å; E1077-F1088 WeakPolarHBondContact CA-O 3.48Å; E1077-K1089 HydrophobicContact CB-CG 4.2Å; E1077-K1089 HydrophobicContact CG-CG 4.02Å; E1077-K1089 WeakPolarHBondContact OE2-CE 3.45Å; E1077-K1089 IonicContact OE2-NZ 3.57Å; E1077-K1089 PolarHBondContact OE2-NZ 3.02Å; E1077-F1123 CarbonylContact O-C 3.6Å; E1077-F1123 WeakPolarHBondContact O-CA 3.37Å; E1077-V1124 HydrophobicContact CB-CB 4.36Å; E1077-V1124 PolarHBondContact N-O 2.91Å; E1077-V1124 PolarHBondContact O-N 3.39Å
1078V96.6Very high89Confident1 Ų131.9 Ų31.91%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-105.2117.2173.8-173.10000107.6V1056 V1058 V1076 K1087 F1088 F1111 L1121 R1122 F1123V1056-V1078 HydrophobicContact CG1-CG1 4.41Å; V1058-V1078 HydrophobicContact CG2-CG2 3.67Å; V1076-V1078 HydrophobicContact CG1-CG2 4.24Å; V1078-K1087 CarbonylContact O-C 3.57Å; V1078-K1087 WeakPolarHBondContact O-CA 3.04Å; V1078-F1088 HydrophobicContact CG2-CD1 4.41Å; V1078-F1088 PolarHBondContact N-O 2.89Å; V1078-F1088 PolarHBondContact O-N 2.86Å; V1078-F1111 HydrophobicContact CB-CZ 4.39Å; V1078-F1111 HydrophobicContact CG1-CE2 3.95Å; V1078-F1111 HydrophobicContact CG1-CZ 4.04Å; V1078-L1121 HydrophobicContact CG1-CD1 3.76Å; V1078-L1121 HydrophobicContact CG1-CG 4.36Å; V1078-R1122 CarbonylContact C-O 3.56Å; V1078-R1122 WeakPolarHBondContact CA-O 3.46Å; V1078-F1123 HydrophobicContact CG1-CD1 4.32Å; V1078-F1123 HydrophobicContact CG1-CE1 4.06Å; V1078-F1123 HydrophobicContact CG2-CD1 3.8Å; V1078-F1123 HydrophobicContact CG2-CE1 3.94Å
1079E96.1Very high89.9Confident11 Ų1134.6 Ų34.65%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-114.1130.1178.9-46.6-175.1-171.100110K1012 E1077 E1086 K1087 R1122K1012-E1079 IonicContact NZ-OE2 3.06Å; K1012-E1079 PolarHBondContact NZ-OE2 2.85Å; E1077-E1079 HydrophobicContact CG-CG 3.9Å; E1079-E1086 CarbonylContact C-O 3.52Å; E1079-E1086 WeakPolarHBondContact CA-O 3.23Å; E1079-K1087 HydrophobicContact CB-CG 4.24Å; E1079-K1087 HydrophobicContact CG-CD 4.18Å; E1079-K1087 HydrophobicContact CG-CG 3.92Å; E1079-K1087 IonicContact OE1-NZ 2.78Å; E1079-K1087 PolarHBondContact OE1-NZ 2.95Å; E1079-K1087 WeakPolarHBondContact OE2-CE 3.37Å; E1079-K1087 IonicContact OE2-NZ 2.72Å; E1079-K1087 PolarHBondContact OE2-NZ 2.77Å; E1079-R1122 HydrophobicContact CB-CB 4.26Å; E1079-R1122 PolarHBondContact N-O 3.32Å; E1079-R1122 PolarHBondContact O-N 3.35Å
1080L95.9Very high90.9Very high1 Ų130 Ų301%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-85.6116.2157.5-175.770.8000107.2E1085 E1086 F1111 V1113 V1144L1080-E1085 WeakPolarHBondContact O-CA 3.43Å; L1080-E1086 HydrophobicContact CB-CB 4.44Å; L1080-E1086 PolarHBondContact N-O 2.86Å; L1080-E1086 PolarHBondContact O-N 3.29Å; L1080-F1111 HydrophobicContact CB-CD1 3.91Å; L1080-F1111 HydrophobicContact CB-CE1 4.39Å; L1080-F1111 HydrophobicContact CB-CG 4.37Å; L1080-F1111 HydrophobicContact CD2-CB 4.17Å; L1080-V1113 HydrophobicContact CD1-CG2 3.9Å; L1080-V1113 HydrophobicContact CD2-CG2 3.91Å; L1080-V1144 HydrophobicContact CD1-CG2 4.08Å
1081C94.1Very high91.5Very high1 Ų133.5 Ų33.51%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-106.1144.2177.4-58.30000109.8K1012 L1016 S1119 F1120K1012-C1081 WeakPolarHBondContact CE-SG 3.38Å; L1016-C1081 HydrophobicContact CD1-CB 4.36Å; L1016-C1081 HydrophobicContact CD2-CB 3.75Å; C1081-S1119 CarbonylContact O-C 3.51Å; C1081-S1119 WeakPolarHBondContact O-CA 3.26Å; C1081-F1120 HydrophobicContact CB-CB 4.3Å; C1081-F1120 PolarHBondContact N-O 2.97Å; C1081-F1120 PolarHBondContact O-N 3.06Å
1082G87.9Confident91.7Very high8 Ų834.9 Ų34.98%0.08217%0.17CC..SBendtrans132-123.5-179.500000109.9Y993Y993-G1082 VanDerWaalsContact CD1-O 3.23Å; Y993-G1082 WeakPolarHBondContact CD1-O 3.4Å; Y993-G1082 VanDerWaalsContact CD2-CA 3.49Å; Y993-G1082 VanDerWaalsContact CE1-C 3.4Å; Y993-G1082 WeakPolarHBondContact CE1-O 3.19Å
1083H81.5Confident91.8Very high52 Ų5238.7 Ų38.724%0.24119%0.185CC..SBendtrans-62.2-54.4-178177.826.8000113.6Y993 K1047 F1114Y993-H1083 VanDerWaalsContact CZ-N 3.33Å; Y993-H1083 VanDerWaalsContact OH-CA 3.25Å; Y993-H1083 WeakPolarHBondContact OH-CA 3.49Å; Y993-H1083 WeakPolarHBondContact OH-CB 3.36Å; Y993-H1083 PolarHBondContact OH-N 2.59Å; K1047-H1083 WeakPolarHBondContact CB-NE2 3.48Å; K1047-H1083 WeakPolarHBondContact CD-CE1 3.1Å; K1047-H1083 WeakPolarHBondContact CD-ND1 3.46Å; K1047-H1083 WeakPolarHBondContact CE-ND1 3.36Å; K1047-H1083 WeakPolarHBondContact CG-CE1 3.05Å; K1047-H1083 WeakPolarHBondContact CG-ND1 3.1Å; K1047-H1083 VanDerWaalsContact CG-NE2 3.34Å; K1047-H1083 WeakPolarHBondContact CG-NE2 3.45Å; K1047-H1083 PolarHBondContact O-NE2 2.7Å; H1083-F1114 AromaticContact CD2-CD2 3.54Å; H1083-F1114 AromaticContact CD2-CG 3.72Å
1084S77.8Confident91.7Very high20 Ų2047.3 Ų47.314%0.1422%0.216CC..SBendtrans-98.6140.7171.250.60000108.9E1086S1084-E1086 PolarHBondContact OG-OE1 2.93Å
1085E84.4Confident91.3Very high116 Ų11648.2 Ų48.254%0.54222%0.22SC..  trans-102.984167.8-69.1-155.812600108.3K1012 L1080K1012-E1085 IonicContact NZ-OE1 3.41Å; K1012-E1085 PolarHBondContact NZ-OE1 2.86Å; L1080-E1085 WeakPolarHBondContact O-CA 3.43Å
1086E90.8Very high91Very high66 Ų6648.2 Ų48.231%0.30822%0.221SC..EExtended strand (participates in β ladder)trans-99.6136.7175.1-72.8168.4-139.300109E1079 L1080 S1084 F1111E1079-E1086 CarbonylContact C-O 3.52Å; E1079-E1086 WeakPolarHBondContact CA-O 3.23Å; L1080-E1086 HydrophobicContact CB-CB 4.44Å; L1080-E1086 PolarHBondContact N-O 2.86Å; L1080-E1086 PolarHBondContact O-N 3.29Å; S1084-E1086 PolarHBondContact OG-OE1 2.93Å; E1086-F1111 HydrophobicContact CB-CD1 3.79Å; E1086-F1111 HydrophobicContact CB-CE1 3.91Å
1087K92.8Very high90.8Very high111 Ų11148.2 Ų48.248%0.48322%0.221SC..EExtended strand (participates in β ladder)trans-133.2139.3-176.7-57.8-173.8164.5-139.70110.8E1077 V1078 E1079E1077-K1087 WeakPolarHBondContact OE1-CD 3.41Å; E1077-K1087 IonicContact OE1-NZ 3.04Å; E1077-K1087 PolarHBondContact OE1-NZ 2.88Å; V1078-K1087 CarbonylContact O-C 3.57Å; V1078-K1087 WeakPolarHBondContact O-CA 3.04Å; E1079-K1087 HydrophobicContact CB-CG 4.24Å; E1079-K1087 HydrophobicContact CG-CD 4.18Å; E1079-K1087 HydrophobicContact CG-CG 3.92Å; E1079-K1087 IonicContact OE1-NZ 2.78Å; E1079-K1087 PolarHBondContact OE1-NZ 2.95Å; E1079-K1087 WeakPolarHBondContact OE2-CE 3.37Å; E1079-K1087 IonicContact OE2-NZ 2.72Å; E1079-K1087 PolarHBondContact OE2-NZ 2.77Å
1088F93Very high90.7Very high41 Ų4147.7 Ų47.718%0.1822%0.219CC..EExtended strand (participates in β ladder)trans-128.2140.7174.1170.4-102.5000109.6E1077 V1078 T1090 P1105 V1109 F1111E1077-F1088 CarbonylContact C-O 3.47Å; E1077-F1088 VanDerWaalsContact CA-O 3.29Å; E1077-F1088 WeakPolarHBondContact CA-O 3.48Å; V1078-F1088 HydrophobicContact CG2-CD1 4.41Å; V1078-F1088 PolarHBondContact N-O 2.89Å; V1078-F1088 PolarHBondContact O-N 2.86Å; F1088-T1090 HydrophobicContact CE1-CG2 3.94Å; F1088-P1105 HydrophobicContact CE1-CG 4.41Å; F1088-P1105 HydrophobicContact CE2-CG 3.7Å; F1088-P1105 VanDerWaalsContact CZ-CD 3.5Å; F1088-P1105 HydrophobicContact CZ-CG 3.46Å; F1088-P1105 VanDerWaalsContact CZ-CG 3.46Å; F1088-V1109 HydrophobicContact CB-CG1 4.15Å; F1088-V1109 HydrophobicContact CB-CG2 4.39Å; F1088-V1109 HydrophobicContact CD1-CG2 3.95Å; F1088-V1109 HydrophobicContact CD2-CG1 4.44Å; F1088-V1109 HydrophobicContact CD2-CG2 3.5Å; F1088-V1109 VanDerWaalsContact CD2-CG2 3.5Å; F1088-V1109 HydrophobicContact CE1-CG2 4.17Å; F1088-V1109 HydrophobicContact CE2-CG2 3.74Å; F1088-V1109 HydrophobicContact CG-CB 4.36Å; F1088-V1109 HydrophobicContact CG-CG1 4.28Å; F1088-V1109 HydrophobicContact CG-CG2 3.63Å; F1088-V1109 HydrophobicContact CZ-CG2 4.1Å; F1088-F1111 HydrophobicContact CB-CZ 4.06Å
1089K93Very high90.5Very high112 Ų11248 Ų4849%0.48722%0.221SC..EExtended strand (participates in β ladder)trans-125.9134.9176.9-56-170.4-166.6-141.30110.3F1075 V1076 E1077F1075-K1089 HydrophobicContact CE2-CD 4.18Å; V1076-K1089 WeakPolarHBondContact O-CA 3.4Å; E1077-K1089 HydrophobicContact CB-CG 4.2Å; E1077-K1089 HydrophobicContact CG-CG 4.02Å; E1077-K1089 WeakPolarHBondContact OE2-CE 3.45Å; E1077-K1089 IonicContact OE2-NZ 3.57Å; E1077-K1089 PolarHBondContact OE2-NZ 3.02Å
1090T94Very high90.3Very high11 Ų1147.5 Ų47.57%0.06722%0.218CC..PPolyproline II helixtrans-73.3167.6169.568.30000110.7V1058 V1076 F1088 W1102V1058-T1090 HydrophobicContact CB-CG2 3.86Å; V1058-T1090 HydrophobicContact CG1-CG2 4.15Å; V1058-T1090 HydrophobicContact CG2-CG2 4.23Å; V1076-T1090 HydrophobicContact CB-CG2 4.07Å; V1076-T1090 PolarHBondContact N-OG1 2.99Å; V1076-T1090 PolarHBondContact O-N 3.23Å; F1088-T1090 HydrophobicContact CE1-CG2 3.94Å; T1090-W1102 HydrophobicContact CG2-CG 4.38Å; T1090-W1102 PolarHBondContact OG1-NE1 3.11Å
1091I92.1Very high90Very high98 Ų9848 Ų4850%0.50322%0.221SC..PPolyproline II helixtrans-65.7156.7165.362.5174.8000110.9W1102 A1104I1091-W1102 PolarHBondContact O-NE1 3.21Å; I1091-A1104 HydrophobicContact CD1-CB 4.48Å
1092V91.8Very high89.8Confident41 Ų4148.6 Ų48.625%0.24822%0.223CC..PPolyproline II helixtrans-75.6125.5173.9179.60000109.9F1075 E1128F1075-V1092 HydrophobicContact CB-CG2 4.06Å; F1075-V1092 HydrophobicContact CD1-CG2 3.97Å; F1075-V1092 HydrophobicContact CG-CG2 4.24Å; V1092-E1128 HydrophobicContact CG1-CB 3.88Å; V1092-E1128 HydrophobicContact CG2-CB 3.97Å; V1092-E1128 HydrophobicContact CG2-CG 4.49Å
1093Y90.3Very high89.1Confident80 Ų8055.1 Ų55.131%0.31425%0.249SC..PPolyproline II helixtrans-90127.9169-161.1-74.9000108.5S1073 P1074 N1096 P1100 V1101S1073-Y1093 CarbonylContact C-O 3.43Å; S1073-Y1093 WeakPolarHBondContact CA-O 3.26Å; S1073-Y1093 WeakPolarHBondContact CB-O 3.35Å; P1074-Y1093 WeakPolarHBondContact CD-O 3.21Å; P1074-Y1093 PolarHBondContact O-N 2.83Å; Y1093-N1096 HydrophobicContact CD1-CB 3.79Å; Y1093-N1096 HydrophobicContact CE1-CB 3.57Å; Y1093-P1100 HydrophobicContact CD1-CB 3.88Å; Y1093-P1100 HydrophobicContact CD2-CB 4.06Å; Y1093-P1100 HydrophobicContact CE1-CB 4.41Å; Y1093-P1100 HydrophobicContact CG-CB 3.69Å; Y1093-V1101 WeakPolarHBondContact CD2-O 3.3Å; Y1093-V1101 WeakPolarHBondContact CE2-O 3.26Å
1094R89Confident88.1Confident196 Ų19654.7 Ų54.774%0.7426%0.255SS*.PPolyproline II helixtrans-89.8139.3-172.5-65.7-172.3179-172.6-1.1112.9N1096R1094-N1096 VanDerWaalsContact C-N 3.27Å; R1094-N1096 PolarHBondContact O-N 3Å; R1094-N1096 VanDerWaalsContact O-N 3.17Å
1095D87.5Confident87.5Confident19 Ų1955.7 Ų55.710%0.10226%0.261CS..SBendtrans49.538.1169.1-55.1-25.7000114.7K174 T696 T697 I1071 S1073K174-D1095 HydrophobicContact CD-CB 4.08Å; K174-D1095 IonicContact NZ-OD2 2.74Å; K174-D1095 PolarHBondContact NZ-OD2 3.18Å; T696-D1095 PolarHBondContact OG1-OD1 2.93Å; T697-D1095 HydrophobicContact CG2-CB 4.19Å; T697-D1095 WeakPolarHBondContact CG2-OD1 3.46Å; I1071-D1095 VanDerWaalsContact CG2-C 3.4Å; I1071-D1095 WeakPolarHBondContact CG2-O 3.28Å; S1073-D1095 PolarHBondContact OG-N 2.93Å; S1073-D1095 VanDerWaalsContact OG-N 3.07Å
1096N90.4Very high86.7Confident15 Ų1553.2 Ų53.28%0.0826%0.26CS..BIsolated β-bridgetrans-154.3106.9175.4-173.9-4.2000111.2A1072 P1074 Y1093 R1094 L1098 N1099A1072-N1096 CarbonylContact O-C 3.58Å; A1072-N1096 PolarHBondContact O-N 2.79Å; P1074-N1096 VanDerWaalsContact CD-O 3.26Å; P1074-N1096 WeakPolarHBondContact CD-O 3.34Å; P1074-N1096 VanDerWaalsContact CG-O 3.29Å; P1074-N1096 WeakPolarHBondContact CG-O 3.37Å; Y1093-N1096 HydrophobicContact CD1-CB 3.79Å; Y1093-N1096 HydrophobicContact CE1-CB 3.57Å; R1094-N1096 VanDerWaalsContact C-N 3.27Å; R1094-N1096 PolarHBondContact O-N 3Å; R1094-N1096 VanDerWaalsContact O-N 3.17Å; N1096-L1098 PolarHBondContact OD1-N 3Å; N1096-N1099 PolarHBondContact ND2-OD1 2.87Å; N1096-N1099 PolarHBondContact OD1-N 3.02Å; N1096-N1099 VanDerWaalsContact OD1-N 3.09Å; N1096-N1099 PolarHBondContact OD1-OD1 2.78Å
1097G92.1Very high86.1Confident0 Ų057 Ų570%028%0.278CS..SBendtrans-105.4-7.1169.200000114.1N172 L1064N172-G1097 WeakPolarHBondContact ND2-CA 3.44Å; N172-G1097 PolarHBondContact O-N 3.06Å; L1064-G1097 WeakPolarHBondContact CB-O 3.38Å; L1064-G1097 WeakPolarHBondContact CG-O 3.28Å; L1064-G1097 PolarHBondContact N-O 3.25Å
1098L93.3Very high85.8Confident1 Ų153.3 Ų53.31%0.00527%0.265CS..SBendtrans-73.3-45.3179.6-177.658.8000112W143 L171 N172 Y173 M207 M208 R1062 H1063 N1096W143-L1098 HydrophobicContact CH2-CD1 4.44Å; L171-L1098 HydrophobicContact CB-CD2 4.49Å; L171-L1098 WeakPolarHBondContact O-CB 3.13Å; N172-L1098 PolarHBondContact O-N 3.46Å; N172-L1098 VanDerWaalsContact O-N 3.15Å; Y173-L1098 HydrophobicContact CD2-CB 4.17Å; Y173-L1098 HydrophobicContact CD2-CD2 4.01Å; Y173-L1098 HydrophobicContact CG-CD2 4.05Å; M207-L1098 HydrophobicContact CE-CD2 3.6Å; M208-L1098 HydrophobicContact SD-CD1 4.28Å; M208-L1098 HydrophobicContact SD-CD2 4.23Å; M208-L1098 HydrophobicContact SD-CG 3.95Å; R1062-L1098 CarbonylContact C-O 3.49Å; R1062-L1098 VanDerWaalsContact CA-O 3.23Å; R1062-L1098 WeakPolarHBondContact CA-O 3.32Å; H1063-L1098 PolarHBondContact N-O 3.25Å; N1096-L1098 PolarHBondContact OD1-N 3Å
1099N92.3Very high85.7Confident9 Ų953 Ų535%0.04827%0.266CS..SBendtrans-153.149.4-172.466-10.5000115M207 M208 Q211 A1061 N1096M207-N1099 PolarHBondContact O-ND2 3.47Å; M208-N1099 HydrophobicContact CE-CB 4.17Å; M208-N1099 HydrophobicContact SD-CB 4Å; Q211-N1099 PolarHBondContact NE2-O 2.81Å; A1061-N1099 CarbonylContact O-C 3.5Å; A1061-N1099 VanDerWaalsContact O-CA 3.31Å; A1061-N1099 WeakPolarHBondContact O-CA 3.32Å; N1096-N1099 PolarHBondContact ND2-OD1 2.87Å; N1096-N1099 PolarHBondContact OD1-N 3.02Å; N1096-N1099 VanDerWaalsContact OD1-N 3.09Å; N1096-N1099 PolarHBondContact OD1-OD1 2.78Å
1100P92.3Very high85.7Confident0 Ų053.1 Ų53.10%027%0.269CS..  trans-67.6150.4-179.231.5-38.2000113.2A1060 A1061 L1064 P1074 Y1093 W1102A1060-P1100 CarbonylContact C-O 3.59Å; A1060-P1100 VanDerWaalsContact CA-O 3.22Å; A1060-P1100 WeakPolarHBondContact CA-O 3.42Å; A1060-P1100 WeakPolarHBondContact CB-O 3.31Å; A1061-P1100 HydrophobicContact CB-CG 3.83Å; A1061-P1100 PolarHBondContact N-O 3.2Å; A1061-P1100 WeakPolarHBondContact O-CD 3.25Å; L1064-P1100 HydrophobicContact CD1-CG 4.02Å; P1074-P1100 HydrophobicContact CG-CB 4.15Å; P1074-P1100 HydrophobicContact CG-CG 3.9Å; Y1093-P1100 HydrophobicContact CD1-CB 3.88Å; Y1093-P1100 HydrophobicContact CD2-CB 4.06Å; Y1093-P1100 HydrophobicContact CE1-CB 4.41Å; Y1093-P1100 HydrophobicContact CG-CB 3.69Å; P1100-W1102 HydrophobicContact CB-CH2 4.23Å; P1100-W1102 HydrophobicContact CB-CZ2 4.32Å; P1100-W1102 HydrophobicContact CG-CH2 3.77Å; P1100-W1102 HydrophobicContact CG-CZ2 4.25Å; P1100-W1102 HydrophobicContact CG-CZ3 4.25Å
1101V90.9Very high85.7Confident12 Ų1252.8 Ų52.87%0.07327%0.266CS..BIsolated β-bridgetrans-132.3125.8178.3-174.60000109.7Q211 I214 I1059 A1060 Y1093Q211-V1101 HydrophobicContact CB-CG2 4.22Å; Q211-V1101 HydrophobicContact CG-CG2 3.91Å; I214-V1101 HydrophobicContact CD1-CG2 4.1Å; I214-V1101 HydrophobicContact CG1-CG1 4.02Å; I214-V1101 HydrophobicContact CG1-CG2 4.11Å; I1059-V1101 CarbonylContact O-C 3.58Å; A1060-V1101 HydrophobicContact CB-CB 4.39Å; A1060-V1101 HydrophobicContact CB-CG1 4.4Å; A1060-V1101 HydrophobicContact CB-CG2 4.02Å; Y1093-V1101 WeakPolarHBondContact CD2-O 3.3Å; Y1093-V1101 WeakPolarHBondContact CE2-O 3.26Å
1102W89.2Confident85.7Confident13 Ų1350 Ų505%0.04926%0.256CS..  trans-99.8126.2-178.2-68.3-84.3000111.5V1058 I1059 A1061 P1074 V1076 T1090 I1091 P1100V1058-W1102 HydrophobicContact CG1-CE3 3.84Å; V1058-W1102 HydrophobicContact CG1-CZ3 4.15Å; I1059-W1102 PolarHBondContact O-N 2.97Å; A1061-W1102 HydrophobicContact CB-CH2 3.83Å; A1061-W1102 HydrophobicContact CB-CZ3 3.77Å; P1074-W1102 HydrophobicContact CB-CZ2 4.22Å; P1074-W1102 HydrophobicContact CG-CZ2 4.21Å; V1076-W1102 HydrophobicContact CG2-CH2 3.62Å; V1076-W1102 HydrophobicContact CG2-CZ2 3.9Å; V1076-W1102 HydrophobicContact CG2-CZ3 3.97Å; T1090-W1102 HydrophobicContact CG2-CG 4.38Å; T1090-W1102 PolarHBondContact OG1-NE1 3.11Å; I1091-W1102 PolarHBondContact O-NE1 3.21Å; P1100-W1102 HydrophobicContact CB-CH2 4.23Å; P1100-W1102 HydrophobicContact CB-CZ2 4.32Å; P1100-W1102 HydrophobicContact CG-CH2 3.77Å; P1100-W1102 HydrophobicContact CG-CZ2 4.25Å; P1100-W1102 HydrophobicContact CG-CZ3 4.25Å
1103K73.5Confident85.7Confident144 Ų14448 Ų4863%0.62624%0.244SC*.  trans-93.1-15.2-177.7-63.7-177179.7-179.80114.7E213E213-K1103 VanDerWaalsContact CD-NZ 3.29Å; E213-K1103 WeakPolarHBondContact OE1-CE 3.43Å; E213-K1103 IonicContact OE1-NZ 3.97Å; E213-K1103 PolarHBondContact OE1-NZ 2.79Å; E213-K1103 WeakPolarHBondContact OE2-CE 3.16Å; E213-K1103 IonicContact OE2-NZ 3Å; E213-K1103 PolarHBondContact OE2-NZ 2.95Å
1104A60.5Low85.7Confident43 Ų4345.8 Ų45.836%0.35524%0.236SC..  trans-130.9135.2-173.200000110.3I1091I1091-A1104 HydrophobicContact CD1-CB 4.48Å
1105P65.4Low85.6Confident42 Ų4237.2 Ų37.227%0.27320%0.204SC..  cis-84.71548.813.16.9000112F1088 E1107 V1109F1088-P1105 HydrophobicContact CE1-CG 4.41Å; F1088-P1105 HydrophobicContact CE2-CG 3.7Å; F1088-P1105 VanDerWaalsContact CZ-CD 3.5Å; F1088-P1105 HydrophobicContact CZ-CG 3.46Å; F1088-P1105 VanDerWaalsContact CZ-CG 3.46Å; P1105-E1107 VanDerWaalsContact C-N 3.32Å; P1105-V1109 HydrophobicContact CG-CG2 4.25Å
1106A66.1Low85.6Confident63 Ų6336.8 Ų36.852%0.52120%0.202SC..SBendtrans-65.2-39.2175.700000111.6K1057K1057-A1106 PolarHBondContact NZ-O 3.29Å
1107E78.6Confident85.5Confident147 Ų14739.2 Ų39.269%0.68721%0.213SC*.SBendtrans-90.1140.6177.8-67.6-61.9151.400111.8P1105P1105-E1107 VanDerWaalsContact C-N 3.32Å
1108P86.2Confident85.5Confident33 Ų3339.2 Ų39.221%0.21421%0.213CC..PPolyproline II helixtrans-60.7144.6171-21.432.8000112.5R1055 K1057 Y1172R1055-P1108 HydrophobicContact CB-CB 4.07Å; K1057-P1108 HydrophobicContact CB-CB 4.17Å; K1057-P1108 HydrophobicContact CB-CG 4.27Å; K1057-P1108 HydrophobicContact CD-CG 4.39Å; P1108-Y1172 HydrophobicContact CG-CD1 4.27Å; P1108-Y1172 HydrophobicContact CG-CE1 4.33Å
1109V91.8Very high85.5Confident33 Ų3339.2 Ų39.220%0.221%0.214CC..EExtended strand (participates in β ladder)trans-81.6131.9175.2179.90000109.2R1055 V1056 F1088 P1105 F1111R1055-V1109 CarbonylContact C-O 3.55Å; R1055-V1109 VanDerWaalsContact CA-O 3.26Å; R1055-V1109 WeakPolarHBondContact CA-O 3.45Å; V1056-V1109 PolarHBondContact N-O 2.64Å; V1056-V1109 PolarHBondContact O-N 3.4Å; F1088-V1109 HydrophobicContact CB-CG1 4.15Å; F1088-V1109 HydrophobicContact CB-CG2 4.39Å; F1088-V1109 HydrophobicContact CD1-CG2 3.95Å; F1088-V1109 HydrophobicContact CD2-CG1 4.44Å; F1088-V1109 HydrophobicContact CD2-CG2 3.5Å; F1088-V1109 VanDerWaalsContact CD2-CG2 3.5Å; F1088-V1109 HydrophobicContact CE1-CG2 4.17Å; F1088-V1109 HydrophobicContact CE2-CG2 3.74Å; F1088-V1109 HydrophobicContact CG-CB 4.36Å; F1088-V1109 HydrophobicContact CG-CG1 4.28Å; F1088-V1109 HydrophobicContact CG-CG2 3.63Å; F1088-V1109 HydrophobicContact CZ-CG2 4.1Å; P1105-V1109 HydrophobicContact CG-CG2 4.25Å; V1109-F1111 HydrophobicContact CB-CE2 4.42Å; V1109-F1111 HydrophobicContact CG1-CE1 4.38Å; V1109-F1111 HydrophobicContact CG1-CE2 4Å; V1109-F1111 HydrophobicContact CG1-CZ 3.92Å
1110E92.9Very high85.7Confident116 Ų11638.9 Ų38.954%0.54221%0.212SC..EExtended strand (participates in β ladder)trans-99.6127.3179.4-172.8172.6-172.400111.3S1053 I1054 R1055S1053-E1110 WeakPolarHBondContact OG-CG 3.29Å; S1053-E1110 PolarHBondContact OG-OE1 3.26Å; I1054-E1110 CarbonylContact O-C 3.42Å; I1054-E1110 WeakPolarHBondContact O-CA 3.19Å; R1055-E1110 HydrophobicContact CG-CB 4.08Å; R1055-E1110 HydrophobicContact CG-CG 4.07Å
1111F93.9Very high86Confident3 Ų338.9 Ų38.91%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-112.2130.6174.6-64.3-76.8000110.2I1054 V1056 V1078 L1080 E1086 F1088 V1109 L1121I1054-F1111 HydrophobicContact CB-CB 4.46Å; I1054-F1111 PolarHBondContact N-O 2.94Å; I1054-F1111 PolarHBondContact O-N 3.3Å; V1056-F1111 HydrophobicContact CB-CE2 4.23Å; V1056-F1111 HydrophobicContact CG2-CD2 4.04Å; V1056-F1111 HydrophobicContact CG2-CE2 4.07Å; V1078-F1111 HydrophobicContact CB-CZ 4.39Å; V1078-F1111 HydrophobicContact CG1-CE2 3.95Å; V1078-F1111 HydrophobicContact CG1-CZ 4.04Å; L1080-F1111 HydrophobicContact CB-CD1 3.91Å; L1080-F1111 HydrophobicContact CB-CE1 4.39Å; L1080-F1111 HydrophobicContact CB-CG 4.37Å; L1080-F1111 HydrophobicContact CD2-CB 4.17Å; E1086-F1111 HydrophobicContact CB-CD1 3.79Å; E1086-F1111 HydrophobicContact CB-CE1 3.91Å; F1088-F1111 HydrophobicContact CB-CZ 4.06Å; V1109-F1111 HydrophobicContact CB-CE2 4.42Å; V1109-F1111 HydrophobicContact CG1-CE1 4.38Å; V1109-F1111 HydrophobicContact CG1-CE2 4Å; V1109-F1111 HydrophobicContact CG1-CZ 3.92Å; F1111-L1121 HydrophobicContact CE2-CD1 4.49Å
1112S92.7Very high86.3Confident40 Ų4039 Ų3928%0.2821%0.211SC..EExtended strand (participates in β ladder)trans-93.9118177.7-69.90000111.2
1113V91.5Very high86.7Confident0 Ų038.3 Ų38.30%021%0.208CC..EExtended strand (participates in β ladder)trans-109120-176.3-178.40000111.2K1051 Y1052 I1054 L1080 P1116 V1144K1051-V1113 PolarHBondContact N-O 3.07Å; Y1052-V1113 PolarHBondContact N-O 3.13Å; Y1052-V1113 PolarHBondContact O-N 3.49Å; I1054-V1113 HydrophobicContact CD1-CG2 3.69Å; I1054-V1113 HydrophobicContact CG1-CG2 4Å; L1080-V1113 HydrophobicContact CD1-CG2 3.9Å; L1080-V1113 HydrophobicContact CD2-CG2 3.91Å; V1113-P1116 HydrophobicContact CG1-CB 4.33Å; V1113-P1116 HydrophobicContact CG1-CG 4.08Å; V1113-V1144 HydrophobicContact CG1-CG1 4.29Å
1114F88.7Confident87.9Confident32 Ų3231.8 Ų31.814%0.1418%0.18CC..SBendtrans-93.7-37.3-178.6-58.6-92.9000112.6K1047 V1050 K1051 H1083K1047-F1114 VanDerWaalsContact O-CD1 3.26Å; K1047-F1114 WeakPolarHBondContact O-CD1 3.16Å; K1047-F1114 WeakPolarHBondContact O-CE1 3.47Å; V1050-F1114 HydrophobicContact CG2-CD1 4.18Å; V1050-F1114 HydrophobicContact CG2-CE1 3.61Å; V1050-F1114 HydrophobicContact CG2-CZ 3.92Å; K1051-F1114 VanDerWaalsContact CD-O 3.23Å; K1051-F1114 WeakPolarHBondContact CD-O 3.48Å; K1051-F1114 WeakPolarHBondContact CE-O 3.34Å; K1051-F1114 WeakPolarHBondContact CG-O 3.39Å; H1083-F1114 AromaticContact CD2-CD2 3.54Å; H1083-F1114 AromaticContact CD2-CG 3.72Å
1115E87.6Confident89.7Confident17 Ų1729.7 Ų29.78%0.07916%0.163CC..  trans-128.479.8-177-168.6172.7-138.300111.1Y1041 E1117 L1118 S1119Y1041-E1115 PolarHBondContact OH-OE1 2.99Å; E1115-E1117 PolarHBondContact O-N 2.97Å; E1115-L1118 HydrophobicContact CG-CB 4.17Å; E1115-L1118 CarbonylContact O-C 3.54Å; E1115-L1118 PolarHBondContact O-N 2.93Å; E1115-S1119 WeakPolarHBondContact O-CB 3.31Å; E1115-S1119 PolarHBondContact O-N 2.85Å; E1115-S1119 PolarHBondContact O-OG 3.43Å; E1115-S1119 VanDerWaalsContact O-OG 3.09Å
1116P88.8Confident91.1Very high10 Ų1028.5 Ų28.57%0.06515%0.154CC..THydrogen-bonded Turntrans-58.9-23.2-174-23.332.5000115K1051 Y1052 V1113 V1144K1051-P1116 HydrophobicContact CB-CG 3.88Å; K1051-P1116 HydrophobicContact CD-CG 4.41Å; Y1052-P1116 HydrophobicContact CD2-CB 3.87Å; Y1052-P1116 HydrophobicContact CD2-CG 3.14Å; Y1052-P1116 HydrophobicContact CE2-CB 3.89Å; Y1052-P1116 HydrophobicContact CE2-CG 3.44Å; Y1052-P1116 VanDerWaalsContact CE2-CG 3.44Å; Y1052-P1116 HydrophobicContact CG-CB 4.49Å; Y1052-P1116 HydrophobicContact CG-CG 4.01Å; V1113-P1116 HydrophobicContact CG1-CB 4.33Å; V1113-P1116 HydrophobicContact CG1-CG 4.08Å; P1116-V1144 HydrophobicContact CB-CG1 4.25Å
1117E87.8Confident92.2Very high65 Ų6526.2 Ų26.230%0.30413%0.133SC..THydrogen-bonded Turntrans-76.7-22.7-179.5-60.3-71.7165.200113P1033 E1115 K1145P1033-E1117 HydrophobicContact CB-CG 4.27Å; P1033-E1117 HydrophobicContact CG-CB 3.54Å; P1033-E1117 HydrophobicContact CG-CG 3.78Å; E1115-E1117 PolarHBondContact O-N 2.97Å; E1117-K1145 WeakPolarHBondContact OE1-CE 2.82Å; E1117-K1145 IonicContact OE1-NZ 3.99Å; E1117-K1145 PolarHBondContact OE1-NZ 3.31Å; E1117-K1145 WeakPolarHBondContact OE2-CD 3.19Å; E1117-K1145 IonicContact OE2-NZ 3.72Å; E1117-K1145 PolarHBondContact OE2-NZ 2.99Å
1118L91.4Very high92.6Very high0 Ų022.3 Ų22.30%012%0.115CC..SBendtrans-126.916.4-180-79.4179.6000112.9W319 Y993 W996 A997 L1020 M1036 E1115 F1120W319-L1118 HydrophobicContact CE3-CD2 4.37Å; W319-L1118 HydrophobicContact CH2-CD1 3.87Å; W319-L1118 HydrophobicContact CH2-CD2 3.34Å; W319-L1118 HydrophobicContact CH2-CG 3.48Å; W319-L1118 VanDerWaalsContact CH2-CG 3.48Å; W319-L1118 HydrophobicContact CZ2-CD1 3.65Å; W319-L1118 HydrophobicContact CZ2-CD2 3.59Å; W319-L1118 HydrophobicContact CZ2-CG 3.79Å; W319-L1118 HydrophobicContact CZ3-CD2 3.78Å; W319-L1118 HydrophobicContact CZ3-CG 4.32Å; Y993-L1118 HydrophobicContact CD2-CB 4.33Å; Y993-L1118 HydrophobicContact CE2-CB 4.07Å; W996-L1118 HydrophobicContact CB-CD1 4.28Å; W996-L1118 HydrophobicContact CB-CD2 3.96Å; W996-L1118 HydrophobicContact CE3-CD2 4.43Å; A997-L1118 HydrophobicContact CB-CD1 4.42Å; L1020-L1118 HydrophobicContact CD1-CD2 4.47Å; M1036-L1118 HydrophobicContact CE-CD1 3.95Å; E1115-L1118 HydrophobicContact CG-CB 4.17Å; E1115-L1118 CarbonylContact O-C 3.54Å; E1115-L1118 PolarHBondContact O-N 2.93Å; L1118-F1120 WeakPolarHBondContact O-CE2 3.44Å
1119S94.2Very high92.2Very high2 Ų221.9 Ų21.91%0.01411%0.111CC..  trans-103.5141.1173.3-73.90000110.6C1081 E1115 V1144C1081-S1119 CarbonylContact O-C 3.51Å; C1081-S1119 WeakPolarHBondContact O-CA 3.26Å; E1115-S1119 WeakPolarHBondContact O-CB 3.31Å; E1115-S1119 PolarHBondContact O-N 2.85Å; E1115-S1119 PolarHBondContact O-OG 3.43Å; E1115-S1119 VanDerWaalsContact O-OG 3.09Å; S1119-V1144 WeakPolarHBondContact O-CB 3.32Å; S1119-V1144 WeakPolarHBondContact O-CG2 3.4Å; S1119-V1144 PolarHBondContact O-N 3Å
1120F96.9Very high91.3Very high2 Ų224.3 Ų24.31%0.00912%0.121CC..EExtended strand (participates in β ladder)trans-126.9134.7-177.9-51.2-91.2000109.5W996 L1016 A1019 L1020 C1081 L1118 T1141 F1142 P1143W996-F1120 HydrophobicContact CZ3-CE2 4.22Å; W996-F1120 HydrophobicContact CZ3-CZ 4.1Å; L1016-F1120 HydrophobicContact CD2-CB 3.69Å; L1016-F1120 HydrophobicContact CD2-CD1 4.43Å; L1016-F1120 HydrophobicContact CD2-CD2 3.75Å; L1016-F1120 HydrophobicContact CD2-CG 3.69Å; A1019-F1120 HydrophobicContact CB-CD1 4.01Å; A1019-F1120 HydrophobicContact CB-CE1 4.35Å; L1020-F1120 HydrophobicContact CB-CE1 3.83Å; L1020-F1120 HydrophobicContact CB-CZ 3.88Å; L1020-F1120 HydrophobicContact CD1-CE1 4.36Å; L1020-F1120 HydrophobicContact CD1-CZ 4.12Å; L1020-F1120 HydrophobicContact CG-CZ 4.47Å; C1081-F1120 HydrophobicContact CB-CB 4.3Å; C1081-F1120 PolarHBondContact N-O 2.97Å; C1081-F1120 PolarHBondContact O-N 3.06Å; L1118-F1120 WeakPolarHBondContact O-CE2 3.44Å; F1120-T1141 HydrophobicContact CB-CG2 4.12Å; F1120-F1142 CarbonylContact C-O 3.45Å; F1120-F1142 VanDerWaalsContact CA-O 3.26Å; F1120-F1142 WeakPolarHBondContact CA-O 3.47Å; F1120-P1143 HydrophobicContact CD1-CB 4.36Å; F1120-P1143 HydrophobicContact CD1-CG 4.24Å; F1120-P1143 HydrophobicContact CE1-CB 4.44Å; F1120-P1143 HydrophobicContact CE1-CG 4.23Å
1121L97.3Very high90.4Very high0 Ų020.5 Ų20.50%010%0.102CC..EExtended strand (participates in β ladder)trans-95.9120.2168.1-167.866.7000108.2V1056 V1078 F1111 F1123 F1142 I1147 I1173V1056-L1121 HydrophobicContact CG2-CD2 4.07Å; V1078-L1121 HydrophobicContact CG1-CD1 3.76Å; V1078-L1121 HydrophobicContact CG1-CG 4.36Å; F1111-L1121 HydrophobicContact CE2-CD1 4.49Å; L1121-F1123 HydrophobicContact CD2-CE2 3.72Å; L1121-F1123 HydrophobicContact CD2-CZ 3.58Å; L1121-F1123 HydrophobicContact CG-CE2 3.84Å; L1121-F1123 HydrophobicContact CG-CZ 4Å; L1121-F1142 PolarHBondContact N-O 2.74Å; L1121-F1142 PolarHBondContact O-N 2.65Å; L1121-I1147 HydrophobicContact CB-CD1 3.52Å; L1121-I1147 HydrophobicContact CD2-CD1 3.85Å; L1121-I1147 HydrophobicContact CG-CD1 4.35Å; L1121-I1173 HydrophobicContact CD2-CD1 3.66Å
1122R97.8Very high89.6Confident13 Ų1324.1 Ų24.15%0.04913%0.128CC..EExtended strand (participates in β ladder)trans-118.2124.8-174173.6-174.417587.43109.6V1078 E1079 V1124 T1141V1078-R1122 CarbonylContact C-O 3.56Å; V1078-R1122 WeakPolarHBondContact CA-O 3.46Å; E1079-R1122 HydrophobicContact CB-CB 4.26Å; E1079-R1122 PolarHBondContact N-O 3.32Å; E1079-R1122 PolarHBondContact O-N 3.35Å; R1122-V1124 HydrophobicContact CG-CG2 3.85Å; R1122-V1124 VanDerWaalsContact NE-CG2 3.26Å; R1122-T1141 HydrophobicContact CB-CG2 4.17Å; R1122-T1141 PolarHBondContact NH1-OG1 3.04Å
1123F98.1Very high88.9Confident0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-104.3124.5172-59.3-94.4000108.1I298 V1056 E1077 V1078 L1121 Q1139 A1140 F1142 V1154 L1169 V1171I298-F1123 HydrophobicContact CD1-CE2 4.11Å; I298-F1123 HydrophobicContact CD1-CZ 4.16Å; V1056-F1123 HydrophobicContact CG1-CE1 4.07Å; V1056-F1123 HydrophobicContact CG1-CZ 4.33Å; E1077-F1123 CarbonylContact O-C 3.6Å; E1077-F1123 WeakPolarHBondContact O-CA 3.37Å; V1078-F1123 HydrophobicContact CG1-CD1 4.32Å; V1078-F1123 HydrophobicContact CG1-CE1 4.06Å; V1078-F1123 HydrophobicContact CG2-CD1 3.8Å; V1078-F1123 HydrophobicContact CG2-CE1 3.94Å; L1121-F1123 HydrophobicContact CD2-CE2 3.72Å; L1121-F1123 HydrophobicContact CD2-CZ 3.58Å; L1121-F1123 HydrophobicContact CG-CE2 3.84Å; L1121-F1123 HydrophobicContact CG-CZ 4Å; F1123-Q1139 CarbonylContact O-C 3.54Å; F1123-Q1139 WeakPolarHBondContact O-CA 3.39Å; F1123-Q1139 WeakPolarHBondContact O-CB 3.32Å; F1123-A1140 PolarHBondContact N-O 3.47Å; F1123-A1140 PolarHBondContact O-N 3.29Å; F1123-F1142 HydrophobicContact CD2-CD2 4.33Å; F1123-F1142 HydrophobicContact CD2-CE2 4.26Å; F1123-F1142 HydrophobicContact CE2-CD2 4.31Å; F1123-F1142 HydrophobicContact CE2-CE2 4.45Å; F1123-V1154 HydrophobicContact CB-CG1 4.4Å; F1123-V1154 HydrophobicContact CD2-CG1 3.92Å; F1123-V1154 HydrophobicContact CE2-CG1 4.42Å; F1123-V1154 HydrophobicContact CE2-CG2 4.28Å; F1123-V1154 HydrophobicContact CG-CG1 4.14Å; F1123-V1154 HydrophobicContact CZ-CG2 4.3Å; F1123-L1169 HydrophobicContact CB-CD1 4.05Å; F1123-L1169 HydrophobicContact CD1-CD1 4.13Å; F1123-L1169 HydrophobicContact CG-CD1 4.38Å; F1123-V1171 HydrophobicContact CD1-CG1 4.49Å; F1123-V1171 HydrophobicContact CE1-CG1 3.95Å
1124V98Very high88.6Confident6 Ų627 Ų274%0.03614%0.144CC..EExtended strand (participates in β ladder)trans-121.2121.8175-172.70000108V1076 E1077 R1122 F1136V1076-V1124 CarbonylContact C-O 3.56Å; V1076-V1124 WeakPolarHBondContact CA-O 3.44Å; E1077-V1124 HydrophobicContact CB-CB 4.36Å; E1077-V1124 PolarHBondContact N-O 2.91Å; E1077-V1124 PolarHBondContact O-N 3.39Å; R1122-V1124 HydrophobicContact CG-CG2 3.85Å; R1122-V1124 VanDerWaalsContact NE-CG2 3.26Å; V1124-F1136 HydrophobicContact CG1-CD2 3.9Å; V1124-F1136 HydrophobicContact CG1-CE2 4.07Å
1125V97.4Very high88.5Confident0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-96.2121.5171.8-168.80000107.4L1064 P1074 V1076 L1137 A1138 L1156 L1169L1064-V1125 HydrophobicContact CD1-CG1 3.88Å; L1064-V1125 HydrophobicContact CD2-CG1 3.98Å; L1064-V1125 HydrophobicContact CD2-CG2 4.31Å; P1074-V1125 HydrophobicContact CB-CG1 4.18Å; V1076-V1125 HydrophobicContact CG2-CG2 4.3Å; V1125-L1137 HydrophobicContact CG1-CB 4.45Å; V1125-L1137 HydrophobicContact CG1-CD1 4.29Å; V1125-L1137 WeakPolarHBondContact O-CA 3.29Å; V1125-L1137 WeakPolarHBondContact O-CB 3.48Å; V1125-L1137 PolarHBondContact O-N 3.3Å; V1125-A1138 HydrophobicContact CB-CB 4.41Å; V1125-A1138 PolarHBondContact N-O 3.05Å; V1125-A1138 PolarHBondContact O-N 3.38Å; V1125-A1138 VanDerWaalsContact O-N 3.13Å; V1125-L1156 HydrophobicContact CG2-CD1 3.8Å; V1125-L1156 HydrophobicContact CG2-CD2 3.88Å; V1125-L1169 HydrophobicContact CG2-CD1 4.21Å; V1125-L1169 HydrophobicContact CG2-CD2 3.9Å; V1125-L1169 HydrophobicContact CG2-CG 4.4Å
1126N95Very high88.7Confident17 Ų1731.4 Ų31.49%0.09117%0.166CC..EExtended strand (participates in β ladder)trans-117.1154.4173.3-61.6-59.7000108.8P1074 F1075 P1134 N1135 F1136P1074-N1126 CarbonylContact C-O 3.23Å; P1074-N1126 VanDerWaalsContact CA-O 3.27Å; P1074-N1126 WeakPolarHBondContact CA-O 3.47Å; F1075-N1126 HydrophobicContact CD1-CB 4.17Å; F1075-N1126 HydrophobicContact CE1-CB 3.51Å; F1075-N1126 HydrophobicContact CE2-CB 4.12Å; F1075-N1126 HydrophobicContact CZ-CB 3.48Å; F1075-N1126 VanDerWaalsContact CZ-CB 3.48Å; F1075-N1126 PolarHBondContact N-O 2.72Å; F1075-N1126 PolarHBondContact O-N 3.37Å; N1126-P1134 HydrophobicContact CB-CB 4.35Å; N1126-N1135 CarbonylContact C-O 3.47Å; N1126-N1135 WeakPolarHBondContact CA-O 3.47Å; N1126-N1135 WeakPolarHBondContact CB-O 3.37Å; N1126-F1136 WeakPolarHBondContact OD1-CA 3.43Å
1127E90.6Very high88.9Confident15 Ų1531.7 Ų31.77%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-91.9151157.463.1145.8-169.700110.4P1067 A1072 S1073 P1134 N1135 L1137P1067-E1127 HydrophobicContact CB-CG 4.06Å; P1067-E1127 WeakPolarHBondContact CB-OE1 3.39Å; P1067-E1127 VanDerWaalsContact CG-CD 3.42Å; P1067-E1127 HydrophobicContact CG-CG 4.12Å; P1067-E1127 WeakPolarHBondContact CG-OE2 3.27Å; A1072-E1127 HydrophobicContact CB-CB 4.48Å; S1073-E1127 WeakPolarHBondContact O-CA 3.29Å; E1127-P1134 CarbonylContact O-C 3.59Å; E1127-P1134 VanDerWaalsContact O-CA 3.32Å; E1127-P1134 WeakPolarHBondContact O-CA 3.47Å; E1127-N1135 HydrophobicContact CG-CB 3.79Å; E1127-N1135 PolarHBondContact N-O 3.03Å; E1127-N1135 PolarHBondContact O-N 2.9Å; E1127-N1135 PolarHBondContact OE1-ND2 2.8Å; E1127-N1135 VanDerWaalsContact OE1-ND2 3.07Å; E1127-L1137 HydrophobicContact CB-CD1 3.97Å; E1127-L1137 HydrophobicContact CB-CD2 4.41Å; E1127-L1137 HydrophobicContact CB-CG 4.19Å; E1127-L1137 HydrophobicContact CG-CD2 4.19Å; E1127-L1137 HydrophobicContact CG-CG 4.34Å
1128E86.6Confident89.4Confident65 Ų6528.6 Ų28.630%0.30415%0.152SC..EExtended strand (participates in β ladder)trans-91.4116.4159.7-173.2174.9-113.600108.2S1073 V1092S1073-E1128 PolarHBondContact O-N 2.73Å; V1092-E1128 HydrophobicContact CG1-CB 3.88Å; V1092-E1128 HydrophobicContact CG2-CB 3.97Å; V1092-E1128 HydrophobicContact CG2-CG 4.49Å
1129D77.1Confident89.7Confident24 Ų2428.6 Ų28.613%0.12815%0.152CC..  trans-77-179176.771.315.4000112.6F1131 S1132 D1133 N1135D1129-F1131 PolarHBondContact O-N 3.23Å; D1129-F1131 VanDerWaalsContact OD1-CA 3.26Å; D1129-F1131 WeakPolarHBondContact OD1-CA 3.4Å; D1129-F1131 VanDerWaalsContact OD1-CB 3.3Å; D1129-F1131 WeakPolarHBondContact OD1-CB 3.49Å; D1129-F1131 PolarHBondContact OD1-N 3.25Å; D1129-S1132 PolarHBondContact O-N 2.98Å; D1129-S1132 PolarHBondContact OD1-N 3.4Å; D1129-D1133 PolarHBondContact N-O 3.41Å; D1129-D1133 VanDerWaalsContact N-O 3.09Å; D1129-D1133 PolarHBondContact OD1-N 3.17Å; D1129-N1135 WeakPolarHBondContact CB-ND2 3.19Å; D1129-N1135 PolarHBondContact OD2-ND2 3.45Å
1130M74.1Confident89.9Confident83 Ų8328.5 Ų28.541%0.40915%0.152SC..THydrogen-bonded Turntrans-63.3-11.9178.870.4-177.674.100114.4C683 L694C683-M1130 HydrophobicContact CB-SD 4.44Å; L694-M1130 HydrophobicContact CD1-SD 4.29Å; L694-M1130 HydrophobicContact CD2-CE 3.95Å; L694-M1130 HydrophobicContact CD2-SD 4.2Å; L694-M1130 HydrophobicContact CG-CE 3.92Å; L694-M1130 HydrophobicContact CG-SD 3.97Å
1131F72.9Confident89.9Confident36 Ų3628.8 Ų28.816%0.15815%0.153CC..THydrogen-bonded Turntrans-100.95.3177-56.3-81.2000113F674 K681 C683 L715 Y716 D1129 D1133F674-F1131 AromaticContact CE1-CE1 3.82Å; F674-F1131 HydrophobicContact CE1-CE1 3.82Å; F674-F1131 AromaticContact CE1-CZ 3.83Å; F674-F1131 HydrophobicContact CE1-CZ 3.83Å; F674-F1131 AromaticContact CZ-CE1 3.65Å; F674-F1131 HydrophobicContact CZ-CE1 3.65Å; F674-F1131 AromaticContact CZ-CZ 3.67Å; F674-F1131 HydrophobicContact CZ-CZ 3.67Å; K681-F1131 HydrophobicContact CD-CD1 4.36Å; K681-F1131 HydrophobicContact CD-CE1 4.48Å; C683-F1131 WeakPolarHBondContact SG-CE1 3.25Å; C683-F1131 WeakPolarHBondContact SG-CZ 3.4Å; L715-F1131 HydrophobicContact CD1-CZ 4.49Å; L715-F1131 HydrophobicContact CG-CZ 4.23Å; L715-F1131 VanDerWaalsContact O-CE2 3.28Å; L715-F1131 WeakPolarHBondContact O-CE2 3.42Å; Y716-F1131 HydrophobicContact CD2-CB 4.09Å; Y716-F1131 HydrophobicContact CD2-CD1 4.06Å; Y716-F1131 AromaticContact CD2-CD2 3.76Å; Y716-F1131 HydrophobicContact CD2-CD2 3.76Å; Y716-F1131 HydrophobicContact CD2-CE1 4.38Å; Y716-F1131 HydrophobicContact CD2-CE2 4.15Å; Y716-F1131 AromaticContact CD2-CG 3.7Å; Y716-F1131 HydrophobicContact CD2-CG 3.7Å; Y716-F1131 HydrophobicContact CD2-CZ 4.42Å; Y716-F1131 HydrophobicContact CE2-CB 4.19Å; Y716-F1131 HydrophobicContact CE2-CG 4.26Å; D1129-F1131 PolarHBondContact O-N 3.23Å; D1129-F1131 VanDerWaalsContact OD1-CA 3.26Å; D1129-F1131 WeakPolarHBondContact OD1-CA 3.4Å; D1129-F1131 VanDerWaalsContact OD1-CB 3.3Å; D1129-F1131 WeakPolarHBondContact OD1-CB 3.49Å; D1129-F1131 PolarHBondContact OD1-N 3.25Å; F1131-D1133 PolarHBondContact O-N 3.4Å
1132S77.6Confident89.9Confident80 Ų8029.6 Ų29.656%0.55916%0.157SC*.SBendtrans60.223-171.5-55.60000113.6D1129D1129-S1132 PolarHBondContact O-N 2.98Å; D1129-S1132 PolarHBondContact OD1-N 3.4Å
1133D77.3Confident89.8Confident26 Ų2629 Ų2914%0.13916%0.155CC..  trans-88.8137.5171.3-87-19.8000109.3Y716 R717 D1129 F1131 N1135Y716-D1133 WeakPolarHBondContact CE2-OD2 3.36Å; R717-D1133 IonicContact CZ-OD2 2.59Å; R717-D1133 IonicContact NE-OD2 3.91Å; R717-D1133 PolarHBondContact NE-OD2 3.47Å; R717-D1133 IonicContact NH2-OD1 3.36Å; R717-D1133 PolarHBondContact NH2-OD1 3.26Å; R717-D1133 VanDerWaalsContact NH2-OD1 3.15Å; R717-D1133 IonicContact NH2-OD2 3.85Å; R717-D1133 PolarHBondContact NH2-OD2 3.19Å; D1129-D1133 PolarHBondContact N-O 3.41Å; D1129-D1133 VanDerWaalsContact N-O 3.09Å; D1129-D1133 PolarHBondContact OD1-N 3.17Å; F1131-D1133 PolarHBondContact O-N 3.4Å; D1133-N1135 PolarHBondContact O-N 3.45Å
1134P84.6Confident89.7Confident73 Ų7329.2 Ų29.247%0.47416%0.156SC..EExtended strand (participates in β ladder)trans-79.4120.8177.731.9-34.2000110.9F1075 N1126 E1127F1075-P1134 HydrophobicContact CE1-CB 3.98Å; F1075-P1134 HydrophobicContact CZ-CB 3.68Å; N1126-P1134 HydrophobicContact CB-CB 4.35Å; E1127-P1134 CarbonylContact O-C 3.59Å; E1127-P1134 VanDerWaalsContact O-CA 3.32Å; E1127-P1134 WeakPolarHBondContact O-CA 3.47Å
1135N86.8Confident89.3Confident52 Ų5232.8 Ų32.828%0.27817%0.171SC..EExtended strand (participates in β ladder)trans-108.2133.1173.1-59.6-49.2000111.2N1126 E1127 D1129 D1133 L1137N1126-N1135 CarbonylContact C-O 3.47Å; N1126-N1135 WeakPolarHBondContact CA-O 3.47Å; N1126-N1135 WeakPolarHBondContact CB-O 3.37Å; E1127-N1135 HydrophobicContact CG-CB 3.79Å; E1127-N1135 PolarHBondContact N-O 3.03Å; E1127-N1135 PolarHBondContact O-N 2.9Å; E1127-N1135 PolarHBondContact OE1-ND2 2.8Å; E1127-N1135 VanDerWaalsContact OE1-ND2 3.07Å; D1129-N1135 WeakPolarHBondContact CB-ND2 3.19Å; D1129-N1135 PolarHBondContact OD2-ND2 3.45Å; D1133-N1135 PolarHBondContact O-N 3.45Å; N1135-L1137 PolarHBondContact O-N 3.27Å
1136F92.6Very high89Confident91 Ų9132.9 Ų32.940%0.39917%0.172SC..EExtended strand (participates in β ladder)trans-62.6127.8179.1178.8-91.7000112.1V1124 N1126 Q1139V1124-F1136 HydrophobicContact CG1-CD2 3.9Å; V1124-F1136 HydrophobicContact CG1-CE2 4.07Å; N1126-F1136 WeakPolarHBondContact OD1-CA 3.43Å; F1136-Q1139 HydrophobicContact CE2-CB 3.81Å; F1136-Q1139 HydrophobicContact CE2-CG 4.02Å; F1136-Q1139 HydrophobicContact CZ-CB 3.98Å; F1136-Q1139 HydrophobicContact CZ-CG 3.8Å
1137L93.9Very high89Confident16 Ų1632.9 Ų32.98%0.08417%0.172CC..EExtended strand (participates in β ladder)trans-106.9-52.5171.6-68.7-177.5000111.4P1065 P1067 A1072 V1125 E1127 N1135P1065-L1137 HydrophobicContact CG-CB 3.98Å; P1065-L1137 VanDerWaalsContact CG-O 3.28Å; P1065-L1137 WeakPolarHBondContact CG-O 3.42Å; P1067-L1137 HydrophobicContact CB-CD2 3.95Å; P1067-L1137 HydrophobicContact CG-CD2 4.18Å; A1072-L1137 HydrophobicContact CB-CD1 4.04Å; V1125-L1137 HydrophobicContact CG1-CB 4.45Å; V1125-L1137 HydrophobicContact CG1-CD1 4.29Å; V1125-L1137 WeakPolarHBondContact O-CA 3.29Å; V1125-L1137 WeakPolarHBondContact O-CB 3.48Å; V1125-L1137 PolarHBondContact O-N 3.3Å; E1127-L1137 HydrophobicContact CB-CD1 3.97Å; E1127-L1137 HydrophobicContact CB-CD2 4.41Å; E1127-L1137 HydrophobicContact CB-CG 4.19Å; E1127-L1137 HydrophobicContact CG-CD2 4.19Å; E1127-L1137 HydrophobicContact CG-CG 4.34Å; N1135-L1137 PolarHBondContact O-N 3.27Å
1138A97.3Very high89.2Confident0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-159.2165.3-17400000111.9P1065 V1125 L1156 K1157 L1164P1065-A1138 HydrophobicContact CG-CB 4.29Å; V1125-A1138 HydrophobicContact CB-CB 4.41Å; V1125-A1138 PolarHBondContact N-O 3.05Å; V1125-A1138 PolarHBondContact O-N 3.38Å; V1125-A1138 VanDerWaalsContact O-N 3.13Å; A1138-L1156 HydrophobicContact CB-CB 3.99Å; A1138-L1156 HydrophobicContact CB-CD1 4.15Å; A1138-L1156 HydrophobicContact CB-CD2 4.41Å; A1138-L1156 HydrophobicContact CB-CG 4.43Å; A1138-K1157 CarbonylContact C-O 3.57Å; A1138-K1157 WeakPolarHBondContact CA-O 3.46Å; A1138-L1164 HydrophobicContact CB-CD1 3.52Å
1139Q97.8Very high89.6Confident0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-146.4160172.965.187.821.200113Q1015 F1123 F1136 T1141 K1157 N1158 N1161Q1015-Q1139 HydrophobicContact CG-CG 4.36Å; F1123-Q1139 CarbonylContact O-C 3.54Å; F1123-Q1139 WeakPolarHBondContact O-CA 3.39Å; F1123-Q1139 WeakPolarHBondContact O-CB 3.32Å; F1136-Q1139 HydrophobicContact CE2-CB 3.81Å; F1136-Q1139 HydrophobicContact CE2-CG 4.02Å; F1136-Q1139 HydrophobicContact CZ-CB 3.98Å; F1136-Q1139 HydrophobicContact CZ-CG 3.8Å; Q1139-T1141 PolarHBondContact OE1-OG1 3.26Å; Q1139-K1157 PolarHBondContact N-O 2.9Å; Q1139-K1157 CarbonylContact O-C 3.58Å; Q1139-K1157 WeakPolarHBondContact O-CA 3.25Å; Q1139-K1157 WeakPolarHBondContact O-CB 3.45Å; Q1139-K1157 PolarHBondContact O-N 2.8Å; Q1139-K1157 VanDerWaalsContact O-O 3.13Å; Q1139-N1158 PolarHBondContact NE2-O 2.69Å; Q1139-N1161 PolarHBondContact NE2-OD1 3.09Å
1140A98.1Very high90.4Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-143.4127.3163.200000109.3F1123 F1142 V1154 P1155 L1156F1123-A1140 PolarHBondContact N-O 3.47Å; F1123-A1140 PolarHBondContact O-N 3.29Å; A1140-F1142 HydrophobicContact CB-CE2 3.55Å; A1140-F1142 HydrophobicContact CB-CZ 3.79Å; A1140-V1154 HydrophobicContact CB-CG1 3.53Å; A1140-P1155 WeakPolarHBondContact CB-O 3.41Å; A1140-L1156 HydrophobicContact CB-CD2 4.25Å
1141T97.8Very high91.3Very high7 Ų727.3 Ų27.34%0.04315%0.145CC..EExtended strand (participates in β ladder)trans-123.7128.1-177-55.10000109.3L1016 A1019 F1120 R1122 Q1139L1016-T1141 HydrophobicContact CD2-CG2 3.85Å; A1019-T1141 HydrophobicContact CB-CG2 3.62Å; A1019-T1141 WeakPolarHBondContact CB-O 3.37Å; F1120-T1141 HydrophobicContact CB-CG2 4.12Å; R1122-T1141 HydrophobicContact CB-CG2 4.17Å; R1122-T1141 PolarHBondContact NH1-OG1 3.04Å; Q1139-T1141 PolarHBondContact OE1-OG1 3.26Å
1142F96.7Very high92.4Very high17 Ų1725.6 Ų25.68%0.07514%0.137CC..EExtended strand (participates in β ladder)trans-129.9136.8-177.4-53.7-83.9000111.2I298 W299 F1120 L1121 F1123 A1140 V1144 I1147 V1154I298-F1142 HydrophobicContact CG2-CD1 4.27Å; I298-F1142 HydrophobicContact CG2-CD2 3.98Å; I298-F1142 HydrophobicContact CG2-CE1 3.88Å; I298-F1142 HydrophobicContact CG2-CE2 3.58Å; I298-F1142 HydrophobicContact CG2-CG 4.31Å; I298-F1142 HydrophobicContact CG2-CZ 3.51Å; W299-F1142 HydrophobicContact CB-CD1 4.01Å; W299-F1142 HydrophobicContact CB-CE1 3.92Å; W299-F1142 HydrophobicContact CD2-CD1 4.46Å; W299-F1142 HydrophobicContact CE3-CD1 4.02Å; W299-F1142 HydrophobicContact CG-CD1 4.5Å; F1120-F1142 CarbonylContact C-O 3.45Å; F1120-F1142 VanDerWaalsContact CA-O 3.26Å; F1120-F1142 WeakPolarHBondContact CA-O 3.47Å; L1121-F1142 PolarHBondContact N-O 2.74Å; L1121-F1142 PolarHBondContact O-N 2.65Å; F1123-F1142 HydrophobicContact CD2-CD2 4.33Å; F1123-F1142 HydrophobicContact CD2-CE2 4.26Å; F1123-F1142 HydrophobicContact CE2-CD2 4.31Å; F1123-F1142 HydrophobicContact CE2-CE2 4.45Å; A1140-F1142 HydrophobicContact CB-CE2 3.55Å; A1140-F1142 HydrophobicContact CB-CZ 3.79Å; F1142-V1144 PolarHBondContact O-N 2.87Å; F1142-I1147 HydrophobicContact CB-CD1 4.1Å; F1142-I1147 HydrophobicContact CB-CG1 3.92Å; F1142-V1154 HydrophobicContact CE2-CG1 3.73Å; F1142-V1154 HydrophobicContact CZ-CG1 4.15Å
1143P95.9Very high93.3Very high2 Ų221.8 Ų21.81%0.01311%0.111CC..EExtended strand (participates in β ladder)trans-57.8132.9163.5-21.331.8000110.6W299 A1019 L1023 F1120 K1145 G1146W299-P1143 HydrophobicContact CH2-CG 4.41Å; W299-P1143 HydrophobicContact CZ3-CG 4.19Å; A1019-P1143 WeakPolarHBondContact O-CD 3.21Å; A1019-P1143 WeakPolarHBondContact O-CG 3.12Å; L1023-P1143 HydrophobicContact CD1-CB 4.12Å; L1023-P1143 HydrophobicContact CD1-CG 4.05Å; L1023-P1143 HydrophobicContact CD2-CB 4.33Å; L1023-P1143 HydrophobicContact CD2-CG 4.24Å; L1023-P1143 HydrophobicContact CG-CB 4.35Å; L1023-P1143 HydrophobicContact CG-CG 3.95Å; F1120-P1143 HydrophobicContact CD1-CB 4.36Å; F1120-P1143 HydrophobicContact CD1-CG 4.24Å; F1120-P1143 HydrophobicContact CE1-CB 4.44Å; F1120-P1143 HydrophobicContact CE1-CG 4.23Å; P1143-K1145 PolarHBondContact O-N 2.61Å; P1143-K1145 VanDerWaalsContact O-N 3.14Å; P1143-G1146 PolarHBondContact O-N 2.95Å
1144V94.8Very high94.3Very high3 Ų320.6 Ų20.62%0.01810%0.104CC..G310 helixtrans-55.2-37-178.7162.70000112I1054 L1080 V1113 P1116 S1119 F1142 G1146 I1147I1054-V1144 HydrophobicContact CD1-CB 4.37Å; I1054-V1144 HydrophobicContact CD1-CG1 3.68Å; I1054-V1144 HydrophobicContact CD1-CG2 3.81Å; L1080-V1144 HydrophobicContact CD1-CG2 4.08Å; V1113-V1144 HydrophobicContact CG1-CG1 4.29Å; P1116-V1144 HydrophobicContact CB-CG1 4.25Å; S1119-V1144 WeakPolarHBondContact O-CB 3.32Å; S1119-V1144 WeakPolarHBondContact O-CG2 3.4Å; S1119-V1144 PolarHBondContact O-N 3Å; F1142-V1144 PolarHBondContact O-N 2.87Å; V1144-G1146 PolarHBondContact O-N 2.79Å; V1144-I1147 PolarHBondContact O-N 2.84Å
1145K90.1Very high94.9Very high82 Ų8218.7 Ų18.736%0.3579%0.092SC..G310 helixtrans-57.7-28.8177.4-173.9173.6-176.2169.30114.3F303 E1117 P1143F303-K1145 HydrophobicContact CE1-CD 4.39Å; F303-K1145 HydrophobicContact CE1-CG 4.14Å; F303-K1145 VanDerWaalsContact CE2-O 3.27Å; F303-K1145 WeakPolarHBondContact CE2-O 3.27Å; F303-K1145 HydrophobicContact CZ-CG 3.95Å; F303-K1145 WeakPolarHBondContact CZ-O 3.16Å; E1117-K1145 WeakPolarHBondContact OE1-CE 2.82Å; E1117-K1145 IonicContact OE1-NZ 3.99Å; E1117-K1145 PolarHBondContact OE1-NZ 3.31Å; E1117-K1145 WeakPolarHBondContact OE2-CD 3.19Å; E1117-K1145 IonicContact OE2-NZ 3.72Å; E1117-K1145 PolarHBondContact OE2-NZ 2.99Å; P1143-K1145 PolarHBondContact O-N 2.61Å; P1143-K1145 VanDerWaalsContact O-N 3.14Å
1146G91.8Very high95.5Very high1 Ų116.3 Ų16.31%0.018%0.079CC..G310 helixtrans-98.710.9-175.800000115.3D300 P1143 V1144D300-G1146 PolarHBondContact N-O 3.05Å; P1143-G1146 PolarHBondContact O-N 2.95Å; V1144-G1146 PolarHBondContact O-N 2.79Å
1147I95.1Very high95.7Very high18 Ų1814.2 Ų14.29%0.0927%0.07CC..BIsolated β-bridgetrans-93.5135.5-176.3-68.3176.1000111.3I298 L1121 F1142 V1144 I1173 V1175I298-I1147 HydrophobicContact CD1-CG2 4.01Å; I298-I1147 HydrophobicContact CG1-CG2 3.78Å; L1121-I1147 HydrophobicContact CB-CD1 3.52Å; L1121-I1147 HydrophobicContact CD2-CD1 3.85Å; L1121-I1147 HydrophobicContact CG-CD1 4.35Å; F1142-I1147 HydrophobicContact CB-CD1 4.1Å; F1142-I1147 HydrophobicContact CB-CG1 3.92Å; V1144-I1147 PolarHBondContact O-N 2.84Å; I1147-I1173 HydrophobicContact CG2-CD1 3.47Å; I1147-I1173 VanDerWaalsContact CG2-CD1 3.47Å; I1147-I1173 HydrophobicContact CG2-CG1 4.37Å; I1147-V1175 HydrophobicContact CG2-CG2 3.96Å
1148R95.1Very high95.7Very high39 Ų3914.2 Ų14.215%0.1477%0.07CC..PPolyproline II helixtrans-93.8156.2174-62162.872.2-175.514.8111.6E253 S297 I298 D300 I1173E253-R1148 IonicContact OE1-CZ 2.71Å; E253-R1148 IonicContact OE1-NE 2.94Å; E253-R1148 PolarHBondContact OE1-NE 2.76Å; E253-R1148 IonicContact OE1-NH2 3.51Å; E253-R1148 PolarHBondContact OE1-NH2 3.41Å; E253-R1148 IonicContact OE2-CZ 2.76Å; E253-R1148 IonicContact OE2-NE 3.59Å; E253-R1148 IonicContact OE2-NH2 2.86Å; E253-R1148 PolarHBondContact OE2-NH2 3.26Å; S297-R1148 PolarHBondContact O-NH1 2.91Å; S297-R1148 VanDerWaalsContact O-NH1 3.16Å; I298-R1148 PolarHBondContact O-N 3.37Å; D300-R1148 HydrophobicContact CB-CG 3.87Å; R1148-I1173 WeakPolarHBondContact O-CG2 3.26Å
1149S94.7Very high95.5Very high21 Ų2114.8 Ų14.815%0.1478%0.076CC..PPolyproline II helixtrans-92163.8174.7-65.20000112.2R1152 I1173 V1175S1149-R1152 VanDerWaalsContact O-CZ 3.25Å; S1149-R1152 PolarHBondContact O-NE 2.96Å; S1149-R1152 PolarHBondContact O-NH2 3.09Å; S1149-I1173 CarbonylContact C-O 3.49Å; S1149-I1173 VanDerWaalsContact CA-O 3.29Å; S1149-I1173 WeakPolarHBondContact CA-O 3.24Å; S1149-V1175 PolarHBondContact OG-N 3.11Å
1150G92.9Very high95.3Very high2 Ų217 Ų172%0.0219%0.085CC..EExtended strand (participates in β ladder)trans107.4-165.6179.800000114D250 R1152 I1173D250-G1150 VanDerWaalsContact O-CA 3.29Å; D250-G1150 WeakPolarHBondContact O-CA 3.42Å; G1150-R1152 PolarHBondContact O-N 2.93Å; G1150-I1173 PolarHBondContact N-O 2.63Å; G1150-I1173 WeakPolarHBondContact O-CG2 3.38Å; G1150-I1173 PolarHBondContact O-N 3.26Å
1151Y92.8Very high95.1Very high7 Ų718.5 Ų18.53%0.0279%0.093CC..EExtended strand (participates in β ladder)trans-80.7105.8169.9-60.2-87.4000109.2F218 E221 F246 Q251 N296 I1059 V1171 Y1172F218-Y1151 HydrophobicContact CE1-CD1 4.02Å; F218-Y1151 AromaticContact CE1-CD2 3.98Å; F218-Y1151 HydrophobicContact CE1-CD2 3.98Å; F218-Y1151 AromaticContact CE1-CE1 3.99Å; F218-Y1151 HydrophobicContact CE1-CE1 3.99Å; F218-Y1151 AromaticContact CE1-CE2 3.92Å; F218-Y1151 HydrophobicContact CE1-CE2 3.92Å; F218-Y1151 HydrophobicContact CE1-CG 4.01Å; F218-Y1151 AromaticContact CE1-CZ 3.93Å; F218-Y1151 AromaticContact CZ-CD1 3.77Å; F218-Y1151 HydrophobicContact CZ-CD1 3.77Å; F218-Y1151 HydrophobicContact CZ-CD2 4.42Å; F218-Y1151 HydrophobicContact CZ-CE1 4.02Å; F218-Y1151 AromaticContact CZ-CG 3.99Å; F218-Y1151 HydrophobicContact CZ-CG 3.99Å; E221-Y1151 PolarHBondContact OE2-OH 3.4Å; F246-Y1151 AromaticContact CE2-CD2 3.92Å; F246-Y1151 HydrophobicContact CE2-CD2 3.92Å; F246-Y1151 HydrophobicContact CZ-CD2 4.34Å; Q251-Y1151 PolarHBondContact NE2-O 2.84Å; Q251-Y1151 PolarHBondContact OE1-O 3.06Å; N296-Y1151 PolarHBondContact ND2-O 3.19Å; I1059-Y1151 HydrophobicContact CD1-CD1 3.77Å; I1059-Y1151 HydrophobicContact CD1-CE1 4.01Å; Y1151-V1171 CarbonylContact C-O 3.49Å; Y1151-V1171 WeakPolarHBondContact CA-O 3.18Å; Y1151-Y1172 HydrophobicContact CD1-CD2 4.09Å; Y1151-Y1172 HydrophobicContact CD2-CD2 4.35Å; Y1151-Y1172 AromaticContact CE1-CD2 3.89Å; Y1151-Y1172 HydrophobicContact CE1-CD2 3.89Å; Y1151-Y1172 HydrophobicContact CE1-CG 4.31Å; Y1151-Y1172 HydrophobicContact CE2-CD2 4.18Å; Y1151-Y1172 HydrophobicContact CG-CD2 4.32Å; Y1151-Y1172 AromaticContact CZ-CD2 3.95Å
1152R96.3Very high94.9Very high1 Ų118.9 Ų18.90%0.0049%0.094CC..EExtended strand (participates in β ladder)trans-115.9144-171-64.2-62.3175174.52.7112.8Q251 E253 N296 I298 S1149 G1150 V1171 I1173Q251-R1152 PolarHBondContact O-NH2 2.72Å; E253-R1152 IonicContact OE1-CZ 3.42Å; E253-R1152 IonicContact OE1-NH1 3.07Å; E253-R1152 PolarHBondContact OE1-NH1 3.33Å; E253-R1152 IonicContact OE1-NH2 2.7Å; E253-R1152 PolarHBondContact OE1-NH2 2.97Å; N296-R1152 PolarHBondContact OD1-NH1 3.09Å; I298-R1152 HydrophobicContact CB-CB 3.83Å; I298-R1152 HydrophobicContact CB-CG 4.34Å; I298-R1152 HydrophobicContact CG1-CB 4.23Å; I298-R1152 HydrophobicContact CG1-CG 4.43Å; S1149-R1152 VanDerWaalsContact O-CZ 3.25Å; S1149-R1152 PolarHBondContact O-NE 2.96Å; S1149-R1152 PolarHBondContact O-NH2 3.09Å; G1150-R1152 PolarHBondContact O-N 2.93Å; R1152-V1171 HydrophobicContact CB-CG2 4.32Å; R1152-V1171 PolarHBondContact N-O 3.3Å; R1152-V1171 PolarHBondContact O-N 3.42Å; R1152-I1173 HydrophobicContact CB-CG2 4.37Å; R1152-I1173 HydrophobicContact CG-CG2 3.94Å
1153S97.5Very high94.7Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-73.5137.3162.4-176.60000109.2L291 F292 S293 N296 S297 I298 P1155 L1169L291-S1153 WeakPolarHBondContact O-CB 3.23Å; L291-S1153 PolarHBondContact O-N 3.24Å; F292-S1153 VanDerWaalsContact C-OG 3.26Å; F292-S1153 WeakPolarHBondContact O-CB 3.07Å; F292-S1153 PolarHBondContact O-OG 3.05Å; S293-S1153 WeakPolarHBondContact O-CB 3.36Å; S293-S1153 PolarHBondContact O-OG 2.6Å; N296-S1153 PolarHBondContact O-N 3.45Å; S297-S1153 CarbonylContact C-O 3.59Å; S297-S1153 WeakPolarHBondContact CA-O 3.22Å; I298-S1153 PolarHBondContact N-O 3.47Å; S1153-P1155 WeakPolarHBondContact O-CD 3.49Å; S1153-L1169 CarbonylContact C-O 3.47Å; S1153-L1169 WeakPolarHBondContact CA-O 3.21Å
1154V98.3Very high94.6Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-11490.9167.9-179.90000107.2I298 F1123 A1140 F1142 L1156 A1168 L1169 V1171I298-V1154 HydrophobicContact CB-CG2 4.32Å; I298-V1154 HydrophobicContact CD1-CG2 4.13Å; I298-V1154 HydrophobicContact CG2-CG2 4.09Å; F1123-V1154 HydrophobicContact CB-CG1 4.4Å; F1123-V1154 HydrophobicContact CD2-CG1 3.92Å; F1123-V1154 HydrophobicContact CE2-CG1 4.42Å; F1123-V1154 HydrophobicContact CE2-CG2 4.28Å; F1123-V1154 HydrophobicContact CG-CG1 4.14Å; F1123-V1154 HydrophobicContact CZ-CG2 4.3Å; A1140-V1154 HydrophobicContact CB-CG1 3.53Å; F1142-V1154 HydrophobicContact CE2-CG1 3.73Å; F1142-V1154 HydrophobicContact CZ-CG1 4.15Å; V1154-L1156 PolarHBondContact O-N 3.27Å; V1154-A1168 CarbonylContact O-C 3.47Å; V1154-A1168 VanDerWaalsContact O-CA 3.28Å; V1154-A1168 WeakPolarHBondContact O-CA 3.45Å; V1154-L1169 HydrophobicContact CB-CB 4.02Å; V1154-L1169 HydrophobicContact CB-CG 4.49Å; V1154-L1169 PolarHBondContact N-O 2.91Å; V1154-L1169 PolarHBondContact O-N 3.39Å; V1154-V1171 HydrophobicContact CG2-CB 4.43Å; V1154-V1171 HydrophobicContact CG2-CG1 3.89Å; V1154-V1171 HydrophobicContact CG2-CG2 3.63Å
1155P97.3Very high94.3Very high34 Ų3428.7 Ų28.722%0.22115%0.147CC..EExtended strand (participates in β ladder)trans-60.1127.3174.8-23.334.3000110.4A1140 S1153A1140-P1155 WeakPolarHBondContact CB-O 3.41Å; S1153-P1155 WeakPolarHBondContact O-CD 3.49Å
1156L97.9Very high94.4Very high2 Ų226.4 Ų26.41%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-91.3149.5-173.7-67.9172.2000111.6L1064 V1125 A1138 A1140 V1154 L1164 A1167 L1169L1064-L1156 HydrophobicContact CD2-CD1 3.39Å; V1125-L1156 HydrophobicContact CG2-CD1 3.8Å; V1125-L1156 HydrophobicContact CG2-CD2 3.88Å; A1138-L1156 HydrophobicContact CB-CB 3.99Å; A1138-L1156 HydrophobicContact CB-CD1 4.15Å; A1138-L1156 HydrophobicContact CB-CD2 4.41Å; A1138-L1156 HydrophobicContact CB-CG 4.43Å; A1140-L1156 HydrophobicContact CB-CD2 4.25Å; V1154-L1156 PolarHBondContact O-N 3.27Å; L1156-L1164 HydrophobicContact CB-CD1 4.42Å; L1156-L1164 PolarHBondContact O-N 3.29Å; L1156-A1167 HydrophobicContact CB-CB 4.01Å; L1156-A1167 WeakPolarHBondContact CB-O 3.25Å; L1156-A1167 HydrophobicContact CD1-CB 4.31Å; L1156-A1167 PolarHBondContact N-O 2.96Å; L1156-L1169 HydrophobicContact CD1-CD2 4.1Å; L1156-L1169 HydrophobicContact CD1-CG 4.19Å; L1156-L1169 HydrophobicContact CD2-CD1 4.23Å; L1156-L1169 HydrophobicContact CD2-CG 4.07Å; L1156-L1169 HydrophobicContact CG-CG 4.33Å
1157K96.8Very high94.7Very high47 Ų4726.5 Ų26.520%0.20414%0.139CC..EExtended strand (participates in β ladder)trans-125161.3179.4-60.6176.6173-1730110.2A1138 Q1139 N1161 E1162 N1163A1138-K1157 CarbonylContact C-O 3.57Å; A1138-K1157 WeakPolarHBondContact CA-O 3.46Å; Q1139-K1157 PolarHBondContact N-O 2.9Å; Q1139-K1157 CarbonylContact O-C 3.58Å; Q1139-K1157 WeakPolarHBondContact O-CA 3.25Å; Q1139-K1157 WeakPolarHBondContact O-CB 3.45Å; Q1139-K1157 PolarHBondContact O-N 2.8Å; Q1139-K1157 VanDerWaalsContact O-O 3.13Å; K1157-N1161 WeakPolarHBondContact CD-OD1 3.48Å; K1157-N1161 PolarHBondContact NZ-ND2 2.8Å; K1157-N1161 PolarHBondContact NZ-OD1 3.2Å; K1157-E1162 CarbonylContact C-O 3.58Å; K1157-E1162 WeakPolarHBondContact CA-O 3.45Å; K1157-E1162 WeakPolarHBondContact CB-O 3.1Å; K1157-N1163 WeakPolarHBondContact CE-OD1 3.49Å
1158N95.1Very high94.8Very high15 Ų1525.9 Ų25.98%0.0814%0.136CC..  trans-79.3-175171.777.42000111.6S100 Q1139 Y1160 N1161 E1162 L1164S100-N1158 WeakPolarHBondContact CB-ND2 3.37Å; S100-N1158 PolarHBondContact O-ND2 2.89Å; Q1139-N1158 PolarHBondContact NE2-O 2.69Å; N1158-Y1160 PolarHBondContact O-N 2.75Å; N1158-Y1160 WeakPolarHBondContact OD1-CA 3.06Å; N1158-Y1160 PolarHBondContact OD1-N 3.4Å; N1158-N1161 PolarHBondContact O-N 3.1Å; N1158-N1161 VanDerWaalsContact O-N 3.12Å; N1158-N1161 PolarHBondContact OD1-N 2.65Å; N1158-E1162 PolarHBondContact N-O 3.11Å; N1158-E1162 PolarHBondContact OD1-N 3.48Å; N1158-L1164 HydrophobicContact CB-CD2 4.13Å; N1158-L1164 HydrophobicContact CB-CG 4.43Å
1159G93.1Very high94.9Very high12 Ų1224 Ų2412%0.12413%0.129CC..THydrogen-bonded Turntrans-62-25.6-179.900000114.8A1010 Q1015 N1161A1010-G1159 VanDerWaalsContact CB-C 3.47Å; A1010-G1159 WeakPolarHBondContact CB-O 3.31Å; Q1015-G1159 PolarHBondContact NE2-O 3.48Å; G1159-N1161 VanDerWaalsContact C-N 3.33Å
1160Y94.3Very high94.9Very high48 Ų4823 Ų2319%0.18812%0.122CC..THydrogen-bonded Turntrans-93.314.7178-71.4-71.4000113.3F102 W348 Q1008 A1010 N1158 E1162F102-Y1160 HydrophobicContact CB-CD1 4.05Å; F102-Y1160 HydrophobicContact CB-CE1 3.64Å; W348-Y1160 AromaticContact CH2-CD1 3.92Å; W348-Y1160 HydrophobicContact CH2-CD1 3.92Å; W348-Y1160 HydrophobicContact CH2-CG 4.46Å; Q1008-Y1160 VanDerWaalsContact O-CE1 3.25Å; Q1008-Y1160 WeakPolarHBondContact O-CE1 3.49Å; Q1008-Y1160 PolarHBondContact O-OH 2.85Å; A1010-Y1160 HydrophobicContact CB-CD1 3.86Å; A1010-Y1160 HydrophobicContact CB-CD2 3.96Å; A1010-Y1160 HydrophobicContact CB-CE1 3.71Å; A1010-Y1160 HydrophobicContact CB-CE2 3.78Å; A1010-Y1160 HydrophobicContact CB-CG 4Å; N1158-Y1160 PolarHBondContact O-N 2.75Å; N1158-Y1160 WeakPolarHBondContact OD1-CA 3.06Å; N1158-Y1160 PolarHBondContact OD1-N 3.4Å; Y1160-E1162 PolarHBondContact O-N 2.79Å
1161N93.4Very high95Very high31 Ų3122.9 Ų22.917%0.16612%0.121CC..SBendtrans62.624.5-179-156.657.3000113.9S1018 Q1139 K1157 N1158 G1159S1018-N1161 WeakPolarHBondContact CB-ND2 3.45Å; Q1139-N1161 PolarHBondContact NE2-OD1 3.09Å; K1157-N1161 WeakPolarHBondContact CD-OD1 3.48Å; K1157-N1161 PolarHBondContact NZ-ND2 2.8Å; K1157-N1161 PolarHBondContact NZ-OD1 3.2Å; N1158-N1161 PolarHBondContact O-N 3.1Å; N1158-N1161 VanDerWaalsContact O-N 3.12Å; N1158-N1161 PolarHBondContact OD1-N 2.65Å; G1159-N1161 VanDerWaalsContact C-N 3.33Å
1162E93.3Very high95Very high15 Ų1525.2 Ų25.27%0.0713%0.13CC..PPolyproline II helixtrans-90.9138.8172.1-64.4-66.1-17600110.8R67 R344 W348 K1157 N1158 Y1160R67-E1162 IonicContact CZ-OE1 2.87Å; R67-E1162 IonicContact CZ-OE2 3.46Å; R67-E1162 IonicContact NE-OE1 3.4Å; R67-E1162 IonicContact NE-OE2 3.53Å; R67-E1162 IonicContact NH1-OE1 3.36Å; R67-E1162 IonicContact NH1-OE2 2.92Å; R67-E1162 PolarHBondContact NH1-OE2 3.3Å; R67-E1162 VanDerWaalsContact NH2-CD 3.3Å; R67-E1162 IonicContact NH2-OE1 3.15Å; R67-E1162 IonicContact NH2-OE2 2.81Å; R67-E1162 PolarHBondContact NH2-OE2 3.03Å; R344-E1162 IonicContact CZ-OE1 3.36Å; R344-E1162 IonicContact NH1-OE1 2.69Å; R344-E1162 PolarHBondContact NH1-OE1 3.42Å; R344-E1162 VanDerWaalsContact NH1-OE1 3.12Å; R344-E1162 IonicContact NH2-OE1 2.81Å; R344-E1162 PolarHBondContact NH2-OE1 3.32Å; W348-E1162 PolarHBondContact NE1-OE1 3.12Å; K1157-E1162 CarbonylContact C-O 3.58Å; K1157-E1162 WeakPolarHBondContact CA-O 3.45Å; K1157-E1162 WeakPolarHBondContact CB-O 3.1Å; N1158-E1162 PolarHBondContact N-O 3.11Å; N1158-E1162 PolarHBondContact OD1-N 3.48Å; Y1160-E1162 PolarHBondContact O-N 2.79Å
1163N92.5Very high94.9Very high106 Ų10625.1 Ų25.157%0.56713%0.13SC*.EExtended strand (participates in β ladder)trans-62.1140.3-176.7-63-29.1000111.7K1157K1157-N1163 WeakPolarHBondContact CE-OD1 3.49Å
1164L93.3Very high94.8Very high46 Ų4626.5 Ų26.524%0.24114%0.137CC..EExtended strand (participates in β ladder)trans-97.6135171-68.5170.8000109.6P1065 A1138 L1156 N1158 L1166 A1167P1065-L1164 HydrophobicContact CG-CD1 3.98Å; A1138-L1164 HydrophobicContact CB-CD1 3.52Å; L1156-L1164 HydrophobicContact CB-CD1 4.42Å; L1156-L1164 PolarHBondContact O-N 3.29Å; N1158-L1164 HydrophobicContact CB-CD2 4.13Å; N1158-L1164 HydrophobicContact CB-CG 4.43Å; L1164-L1166 PolarHBondContact O-N 2.99Å; L1164-L1166 VanDerWaalsContact O-N 3.15Å; L1164-A1167 HydrophobicContact CB-CB 3.66Å; L1164-A1167 HydrophobicContact CD1-CB 4.38Å; L1164-A1167 PolarHBondContact O-N 2.59Å
1165D88.8Confident94.5Very high75 Ų7527.9 Ų27.940%0.40115%0.146SC..EExtended strand (participates in β ladder)trans-57.7117.3-179.4-84.99.7000111.3K146 A1167K146-D1165 IonicContact NZ-OD2 3.08Å; K146-D1165 PolarHBondContact NZ-OD2 2.65Å; D1165-A1167 PolarHBondContact O-N 3.15Å
1166L93.1Very high94.2Very high34 Ų3430 Ų3018%0.17815%0.153CC..EExtended strand (participates in β ladder)trans59.1-0.7176-53.1175.8000116.4L139 I140 W143 H1063 L1164 A1168L139-L1166 HydrophobicContact CB-CD2 3.87Å; I140-L1166 HydrophobicContact CG1-CD1 4.04Å; I140-L1166 HydrophobicContact CG1-CD2 3.82Å; W143-L1166 HydrophobicContact CB-CD1 3.54Å; W143-L1166 HydrophobicContact CD2-CD1 3.94Å; W143-L1166 HydrophobicContact CE3-CD1 4.35Å; W143-L1166 HydrophobicContact CG-CD1 3.57Å; H1063-L1166 HydrophobicContact CB-CB 4.07Å; H1063-L1166 PolarHBondContact ND1-O 3.43Å; L1164-L1166 PolarHBondContact O-N 2.99Å; L1164-L1166 VanDerWaalsContact O-N 3.15Å; L1166-A1168 PolarHBondContact O-N 3.49Å
1167A96.6Very high93.6Very high4 Ų434 Ų343%0.03317%0.171CC..EExtended strand (participates in β ladder)trans-72.7118.2-178.100000109.8R1062 H1063 L1156 L1164 D1165R1062-A1167 VanDerWaalsContact O-CA 3.31Å; R1062-A1167 WeakPolarHBondContact O-CA 3.13Å; H1063-A1167 VanDerWaalsContact O-CB 3.22Å; H1063-A1167 WeakPolarHBondContact O-CB 3.4Å; L1156-A1167 HydrophobicContact CB-CB 4.01Å; L1156-A1167 WeakPolarHBondContact CB-O 3.25Å; L1156-A1167 HydrophobicContact CD1-CB 4.31Å; L1156-A1167 PolarHBondContact N-O 2.96Å; L1164-A1167 HydrophobicContact CB-CB 3.66Å; L1164-A1167 HydrophobicContact CD1-CB 4.38Å; L1164-A1167 PolarHBondContact O-N 2.59Å; D1165-A1167 PolarHBondContact O-N 3.15Å
1168A97.6Very high92.5Very high4 Ų434 Ų343%0.03318%0.179CC..EExtended strand (participates in β ladder)trans-151.4148.9-17800000112.3F292 A1061 R1062 V1154 L1166F292-A1168 HydrophobicContact CD1-CB 4.48Å; A1061-A1168 CarbonylContact C-O 3.51Å; A1061-A1168 VanDerWaalsContact CA-O 3.25Å; A1061-A1168 WeakPolarHBondContact CA-O 3.12Å; R1062-A1168 PolarHBondContact N-O 2.95Å; R1062-A1168 PolarHBondContact O-N 2.89Å; R1062-A1168 VanDerWaalsContact O-N 3.09Å; V1154-A1168 CarbonylContact O-C 3.47Å; V1154-A1168 VanDerWaalsContact O-CA 3.28Å; V1154-A1168 WeakPolarHBondContact O-CA 3.45Å; L1166-A1168 PolarHBondContact O-N 3.49Å
1169L97.4Very high90.7Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-95.4150.9164.5-47.6174000110.1A1060 A1061 V1076 F1123 V1125 S1153 V1154 L1156 V1171A1060-L1169 CarbonylContact O-C 3.54Å; A1060-L1169 WeakPolarHBondContact O-CA 3.18Å; A1061-L1169 HydrophobicContact CB-CD2 3.49Å; A1061-L1169 VanDerWaalsContact CB-CD2 3.49Å; V1076-L1169 HydrophobicContact CG1-CD1 3.8Å; V1076-L1169 HydrophobicContact CG2-CD1 4.22Å; V1076-L1169 HydrophobicContact CG2-CD2 4.02Å; F1123-L1169 HydrophobicContact CB-CD1 4.05Å; F1123-L1169 HydrophobicContact CD1-CD1 4.13Å; F1123-L1169 HydrophobicContact CG-CD1 4.38Å; V1125-L1169 HydrophobicContact CG2-CD1 4.21Å; V1125-L1169 HydrophobicContact CG2-CD2 3.9Å; V1125-L1169 HydrophobicContact CG2-CG 4.4Å; S1153-L1169 CarbonylContact C-O 3.47Å; S1153-L1169 WeakPolarHBondContact CA-O 3.21Å; V1154-L1169 HydrophobicContact CB-CB 4.02Å; V1154-L1169 HydrophobicContact CB-CG 4.49Å; V1154-L1169 PolarHBondContact N-O 2.91Å; V1154-L1169 PolarHBondContact O-N 3.39Å; L1156-L1169 HydrophobicContact CD1-CD2 4.1Å; L1156-L1169 HydrophobicContact CD1-CG 4.19Å; L1156-L1169 HydrophobicContact CD2-CD1 4.23Å; L1156-L1169 HydrophobicContact CD2-CG 4.07Å; L1156-L1169 HydrophobicContact CG-CG 4.33Å; L1169-V1171 HydrophobicContact CB-CG1 4.14Å
1170L95.3Very high88.7Confident0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-103.3122.4161.8177.861.1000108.2L291 F292 I1059 A1060L291-L1170 HydrophobicContact CB-CD1 3.92Å; L291-L1170 HydrophobicContact CB-CD2 4.37Å; L291-L1170 HydrophobicContact CD1-CD2 4.33Å; F292-L1170 HydrophobicContact CD1-CB 3.94Å; F292-L1170 HydrophobicContact CD2-CB 4.5Å; F292-L1170 HydrophobicContact CE1-CB 3.42Å; F292-L1170 VanDerWaalsContact CE1-CB 3.42Å; F292-L1170 HydrophobicContact CE2-CB 4.05Å; F292-L1170 HydrophobicContact CE2-CD2 3.86Å; F292-L1170 HydrophobicContact CG-CB 4.47Å; F292-L1170 HydrophobicContact CZ-CB 3.5Å; F292-L1170 VanDerWaalsContact CZ-CB 3.5Å; F292-L1170 HydrophobicContact CZ-CD2 3.98Å; F292-L1170 HydrophobicContact CZ-CG 4.39Å; I1059-L1170 HydrophobicContact CB-CG 4.34Å; I1059-L1170 WeakPolarHBondContact CB-O 3.31Å; I1059-L1170 HydrophobicContact CD1-CG 4.34Å; I1059-L1170 HydrophobicContact CG2-CD2 4.38Å; I1059-L1170 PolarHBondContact N-O 3.15Å; A1060-L1170 PolarHBondContact N-O 3.35Å; A1060-L1170 PolarHBondContact O-N 3.43Å
1171V94.9Very high86.2Confident0 Ų041.9 Ų41.90%023%0.228CC..EExtended strand (participates in β ladder)trans-128.4144.6179.8-53.30000110.2I298 K1057 V1058 F1123 Y1151 R1152 V1154 L1169 I1173I298-V1171 HydrophobicContact CD1-CG2 4.28Å; K1057-V1171 CarbonylContact O-C 3.52Å; K1057-V1171 VanDerWaalsContact O-CA 3.25Å; K1057-V1171 WeakPolarHBondContact O-CA 3.39Å; V1058-V1171 HydrophobicContact CG2-CG1 4.33Å; F1123-V1171 HydrophobicContact CD1-CG1 4.49Å; F1123-V1171 HydrophobicContact CE1-CG1 3.95Å; Y1151-V1171 CarbonylContact C-O 3.49Å; Y1151-V1171 WeakPolarHBondContact CA-O 3.18Å; R1152-V1171 HydrophobicContact CB-CG2 4.32Å; R1152-V1171 PolarHBondContact N-O 3.3Å; R1152-V1171 PolarHBondContact O-N 3.42Å; V1154-V1171 HydrophobicContact CG2-CB 4.43Å; V1154-V1171 HydrophobicContact CG2-CG1 3.89Å; V1154-V1171 HydrophobicContact CG2-CG2 3.63Å; L1169-V1171 HydrophobicContact CB-CG1 4.14Å; V1171-I1173 HydrophobicContact CG2-CG2 4.45Å
1172Y92.9Very high83.8Confident55 Ų5547 Ų4722%0.21625%0.25CS..EExtended strand (participates in β ladder)trans-93127.1161.3172.2-101.7000108.5V1056 K1057 P1108 Y1151 N1174V1056-Y1172 CarbonylContact C-O 3.58Å; V1056-Y1172 WeakPolarHBondContact CA-O 3.47Å; K1057-Y1172 PolarHBondContact N-O 2.74Å; K1057-Y1172 PolarHBondContact O-N 2.64Å; P1108-Y1172 HydrophobicContact CG-CD1 4.27Å; P1108-Y1172 HydrophobicContact CG-CE1 4.33Å; Y1151-Y1172 HydrophobicContact CD1-CD2 4.09Å; Y1151-Y1172 HydrophobicContact CD2-CD2 4.35Å; Y1151-Y1172 AromaticContact CE1-CD2 3.89Å; Y1151-Y1172 HydrophobicContact CE1-CD2 3.89Å; Y1151-Y1172 HydrophobicContact CE1-CG 4.31Å; Y1151-Y1172 HydrophobicContact CE2-CD2 4.18Å; Y1151-Y1172 HydrophobicContact CG-CD2 4.32Å; Y1151-Y1172 AromaticContact CZ-CD2 3.95Å; Y1172-N1174 HydrophobicContact CE1-CB 4.4Å
1173I94.7Very high81.4Confident0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-134.1133.8-179.8-175.6161.6000111.3I298 I1054 R1055 V1056 L1121 I1147 R1148 S1149 G1150 R1152 V1171 V1175I298-I1173 HydrophobicContact CD1-CD1 3.92Å; I298-I1173 HydrophobicContact CD1-CG2 4.23Å; I298-I1173 HydrophobicContact CG1-CG2 4.47Å; I1054-I1173 HydrophobicContact CG2-CD1 3.77Å; I1054-I1173 HydrophobicContact CG2-CG1 3.88Å; R1055-I1173 CarbonylContact O-C 3.54Å; R1055-I1173 VanDerWaalsContact O-CA 3.26Å; R1055-I1173 WeakPolarHBondContact O-CA 3.42Å; V1056-I1173 HydrophobicContact CG2-CD1 4.02Å; V1056-I1173 HydrophobicContact CG2-CG1 4.18Å; L1121-I1173 HydrophobicContact CD2-CD1 3.66Å; I1147-I1173 HydrophobicContact CG2-CD1 3.47Å; I1147-I1173 VanDerWaalsContact CG2-CD1 3.47Å; I1147-I1173 HydrophobicContact CG2-CG1 4.37Å; R1148-I1173 WeakPolarHBondContact O-CG2 3.26Å; S1149-I1173 CarbonylContact C-O 3.49Å; S1149-I1173 VanDerWaalsContact CA-O 3.29Å; S1149-I1173 WeakPolarHBondContact CA-O 3.24Å; G1150-I1173 PolarHBondContact N-O 2.63Å; G1150-I1173 WeakPolarHBondContact O-CG2 3.38Å; G1150-I1173 PolarHBondContact O-N 3.26Å; R1152-I1173 HydrophobicContact CB-CG2 4.37Å; R1152-I1173 HydrophobicContact CG-CG2 3.94Å; V1171-I1173 HydrophobicContact CG2-CG2 4.45Å; I1173-V1175 HydrophobicContact CD1-CG2 4.43Å; I1173-V1175 HydrophobicContact CG1-CG2 4.18Å
1174N93.8Very high79.2Confident29 Ų2954.1 Ų54.116%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-129.4113.1175.7-173.1-5.4000110I1054 R1055 Y1172I1054-N1174 WeakPolarHBondContact CA-O 3.21Å; R1055-N1174 HydrophobicContact CB-CB 4.41Å; R1055-N1174 PolarHBondContact N-O 2.67Å; R1055-N1174 PolarHBondContact NH2-ND2 2.98Å; R1055-N1174 PolarHBondContact O-N 3.48Å; Y1172-N1174 HydrophobicContact CE1-CB 4.4Å
1175V92.9Very high77.2Confident28 Ų2857.5 Ų57.517%0.1730%0.298CS..EExtended strand (participates in β ladder)trans-99115.2179.7-175.80000109.2Y1052 I1054 I1147 S1149 I1173Y1052-V1175 HydrophobicContact CD1-CG1 3.48Å; Y1052-V1175 VanDerWaalsContact CD1-CG1 3.48Å; Y1052-V1175 HydrophobicContact CE1-CG1 3.9Å; I1054-V1175 HydrophobicContact CG2-CG2 4.38Å; I1147-V1175 HydrophobicContact CG2-CG2 3.96Å; S1149-V1175 PolarHBondContact OG-N 3.11Å; I1173-V1175 HydrophobicContact CD1-CG2 4.43Å; I1173-V1175 HydrophobicContact CG1-CG2 4.18Å
1176Q90.3Very high75.3Confident80 Ų8062.4 Ų62.437%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-116.2131.6179.4-63.9-171.9-16.100111.5Y1052 S1053Y1052-Q1176 CarbonylContact C-O 3.5Å; Y1052-Q1176 VanDerWaalsContact CA-O 3.28Å; Y1052-Q1176 WeakPolarHBondContact CA-O 3.34Å; S1053-Q1176 PolarHBondContact N-O 3.22Å; S1053-Q1176 PolarHBondContact O-N 3.14Å
1177Q85.7Confident72.9Confident86 Ų8663.4 Ų63.440%0.40232%0.322SS..EExtended strand (participates in β ladder)trans-89.7121176.6-167.418014.100110.3Y1052 G1179 R1180 A1181Y1052-Q1177 HydrophobicContact CE2-CG 4.19Å; Q1177-G1179 PolarHBondContact O-N 3.17Å; Q1177-G1179 VanDerWaalsContact O-N 3.13Å; Q1177-R1180 PolarHBondContact O-N 3.39Å; Q1177-R1180 VanDerWaalsContact O-N 3.15Å; Q1177-A1181 PolarHBondContact O-N 2.99Å
1178A73.2Confident70.7Confident45 Ų4565.5 Ų65.537%0.37234%0.337SS..Hα-helixtrans-59.5-29.8-170.900000114.1V1050 K1051V1050-A1178 WeakPolarHBondContact O-CB 3.15Å; K1051-A1178 PolarHBondContact O-N 2.85Å
1179G57.8Low68.4Low50 Ų5067.5 Ų67.552%0.51535%0.35SS..Hα-helixtrans-81.3-25.4179.200000115.5Q1177Q1177-G1179 PolarHBondContact O-N 3.17Å; Q1177-G1179 VanDerWaalsContact O-N 3.13Å
1180R50.6Low66.1Low155 Ų15570.5 Ų70.559%0.58537%0.371SS*.Hα-helixtrans-80.9-25.7175.9-85.8-174176.91742112.5Q1177 E1182 E1183 E1184Q1177-R1180 PolarHBondContact O-N 3.39Å; Q1177-R1180 VanDerWaalsContact O-N 3.15Å; R1180-E1182 VanDerWaalsContact C-N 3.3Å; R1180-E1182 PolarHBondContact O-N 3.42Å; R1180-E1183 PolarHBondContact O-N 2.96Å; R1180-E1184 WeakPolarHBondContact O-CB 3.19Å; R1180-E1184 WeakPolarHBondContact O-CG 3.47Å; R1180-E1184 PolarHBondContact O-N 2.85Å
1181A43.2Very low63.9Low37 Ų3776.1 Ų76.131%0.30640%0.397SS..Hα-helixtrans-61.5-37.9177.300000112Q1177 L1185Q1177-A1181 PolarHBondContact O-N 2.99Å; A1181-L1185 WeakPolarHBondContact O-CB 2.86Å; A1181-L1185 WeakPolarHBondContact O-CD1 3.44Å; A1181-L1185 WeakPolarHBondContact O-CG 3.44Å; A1181-L1185 PolarHBondContact O-N 2.82Å
1182E41.6Very low61.8Low137 Ų13781.4 Ų81.464%0.6443%0.425SS*.Hα-helixtrans-67-44.1173.5-75.1-175.5162.300111.7R1180 L1185 Y1186R1180-E1182 VanDerWaalsContact C-N 3.3Å; R1180-E1182 PolarHBondContact O-N 3.42Å; E1182-L1185 PolarHBondContact O-N 3.36Å; E1182-Y1186 VanDerWaalsContact O-CB 3.31Å; E1182-Y1186 WeakPolarHBondContact O-CB 3.35Å; E1182-Y1186 VanDerWaalsContact O-CD2 3.29Å; E1182-Y1186 WeakPolarHBondContact O-CD2 3.41Å; E1182-Y1186 PolarHBondContact O-N 3.23Å
1183E43.1Very low59.8Low141 Ų14187.7 Ų87.766%0.65945%0.449SS*.Hα-helixtrans-66.8-37.1177-75.1-176.4161.800113R1180 S1187R1180-E1183 PolarHBondContact O-N 2.96Å; E1183-S1187 WeakPolarHBondContact O-CA 3.24Å; E1183-S1187 WeakPolarHBondContact O-CB 3.38Å; E1183-S1187 PolarHBondContact O-N 3.06Å
1184E47.6Very low57.6Low130 Ų13094.4 Ų94.461%0.60748%0.478SS*.Hα-helixtrans-72.1-36.3175-76-177.4178.600112R1180 S1187 S1188R1180-E1184 WeakPolarHBondContact O-CB 3.19Å; R1180-E1184 WeakPolarHBondContact O-CG 3.47Å; R1180-E1184 PolarHBondContact O-N 2.85Å; E1184-S1187 PolarHBondContact O-N 3.27Å; E1184-S1188 WeakPolarHBondContact O-CB 3.29Å; E1184-S1188 PolarHBondContact O-N 3.01Å; E1184-S1188 PolarHBondContact O-OG 2.82Å
1185L49.8Very low55.4Low117 Ų11799.4 Ų99.461%0.61350%0.498SS*.Hα-helixtrans-68-39171.1-76.8165.3000111.7A1181 E1182 S1188 S1189A1181-L1185 WeakPolarHBondContact O-CB 2.86Å; A1181-L1185 WeakPolarHBondContact O-CD1 3.44Å; A1181-L1185 WeakPolarHBondContact O-CG 3.44Å; A1181-L1185 PolarHBondContact O-N 2.82Å; E1182-L1185 PolarHBondContact O-N 3.36Å; L1185-S1188 WeakPolarHBondContact CA-OG 3.42Å; L1185-S1188 PolarHBondContact O-OG 3.48Å; L1185-S1189 WeakPolarHBondContact O-CB 3.1Å; L1185-S1189 PolarHBondContact O-N 2.82Å; L1185-S1189 PolarHBondContact O-OG 3.37Å
1186Y50Low53.2Low178 Ų178105 Ų10570%0.69852%0.522SS*.Hα-helixtrans-68.9-39.7172.8-95.2-83.7000111.8E1182 S1189 S1190E1182-Y1186 VanDerWaalsContact O-CB 3.31Å; E1182-Y1186 WeakPolarHBondContact O-CB 3.35Å; E1182-Y1186 VanDerWaalsContact O-CD2 3.29Å; E1182-Y1186 WeakPolarHBondContact O-CD2 3.41Å; E1182-Y1186 PolarHBondContact O-N 3.23Å; Y1186-S1189 WeakPolarHBondContact CA-OG 3.33Å; Y1186-S1189 PolarHBondContact O-OG 3.05Å; Y1186-S1189 VanDerWaalsContact O-OG 3.1Å; Y1186-S1190 WeakPolarHBondContact O-CB 3.3Å; Y1186-S1190 PolarHBondContact O-N 2.74Å; Y1186-S1190 PolarHBondContact O-OG 3.38Å
1187S43Very low51.1Low55 Ų55104.2 Ų104.239%0.38553%0.53SS..Hα-helixtrans-67.4-48.3176.9-177.30000111.2E1183 E1184 S1190 Q1191E1183-S1187 WeakPolarHBondContact O-CA 3.24Å; E1183-S1187 WeakPolarHBondContact O-CB 3.38Å; E1183-S1187 PolarHBondContact O-N 3.06Å; E1184-S1187 PolarHBondContact O-N 3.27Å; S1187-S1190 PolarHBondContact O-N 2.92Å; S1187-S1190 PolarHBondContact O-OG 3.46Å; S1187-Q1191 WeakPolarHBondContact O-CB 3.28Å; S1187-Q1191 VanDerWaalsContact O-CG 3.24Å; S1187-Q1191 WeakPolarHBondContact O-CG 3.42Å; S1187-Q1191 PolarHBondContact O-N 2.86Å
1188S49Very low49.2Very low49 Ų49106.3 Ų106.334%0.34354%0.54SS..Hα-helixtrans-66.6-39.3177.457.20000112.6E1184 L1185 Q1191 L1192E1184-S1188 WeakPolarHBondContact O-CB 3.29Å; E1184-S1188 PolarHBondContact O-N 3.01Å; E1184-S1188 PolarHBondContact O-OG 2.82Å; L1185-S1188 WeakPolarHBondContact CA-OG 3.42Å; L1185-S1188 PolarHBondContact O-OG 3.48Å; S1188-Q1191 PolarHBondContact O-N 3.45Å; S1188-L1192 WeakPolarHBondContact O-CB 3.19Å; S1188-L1192 WeakPolarHBondContact O-CG 3.35Å; S1188-L1192 PolarHBondContact O-N 2.84Å
1189S49.8Very low47.6Very low45 Ų45112.4 Ų112.432%0.31556%0.56SS.*Hα-helixtrans-69.1-34.6172.563.30000112.7L1185 Y1186 R1193L1185-S1189 WeakPolarHBondContact O-CB 3.1Å; L1185-S1189 PolarHBondContact O-N 2.82Å; L1185-S1189 PolarHBondContact O-OG 3.37Å; Y1186-S1189 WeakPolarHBondContact CA-OG 3.33Å; Y1186-S1189 PolarHBondContact O-OG 3.05Å; Y1186-S1189 VanDerWaalsContact O-OG 3.1Å; S1189-R1193 WeakPolarHBondContact O-CB 3.27Å; S1189-R1193 VanDerWaalsContact O-CG 3.3Å; S1189-R1193 WeakPolarHBondContact O-CG 3.37Å; S1189-R1193 PolarHBondContact O-N 3.45Å
1190S49.3Very low46.6Very low63 Ų63114 Ų11444%0.44156%0.563SS.*Hα-helixtrans-66.8-39.9171.686.10000111.6Y1186 S1187 R1193 K1194Y1186-S1190 WeakPolarHBondContact O-CB 3.3Å; Y1186-S1190 PolarHBondContact O-N 2.74Å; Y1186-S1190 PolarHBondContact O-OG 3.38Å; S1187-S1190 PolarHBondContact O-N 2.92Å; S1187-S1190 PolarHBondContact O-OG 3.46Å; S1190-R1193 PolarHBondContact O-N 3.13Å; S1190-K1194 WeakPolarHBondContact O-CB 3.39Å; S1190-K1194 PolarHBondContact O-N 3.08Å
1191Q48.7Very low45.7Very low118 Ų118115 Ų11555%0.55157%0.574SS**Hα-helixtrans-69.8-36177.5-74.8177.98.800112.1S1187 S1188 K1194 K1195S1187-Q1191 WeakPolarHBondContact O-CB 3.28Å; S1187-Q1191 VanDerWaalsContact O-CG 3.24Å; S1187-Q1191 WeakPolarHBondContact O-CG 3.42Å; S1187-Q1191 PolarHBondContact O-N 2.86Å; S1188-Q1191 PolarHBondContact O-N 3.45Å; Q1191-K1194 PolarHBondContact O-N 2.86Å; Q1191-K1195 WeakPolarHBondContact O-CB 3.4Å; Q1191-K1195 PolarHBondContact O-N 3.22Å
1192L51.1Low45.4Very low112 Ų112118.4 Ų118.459%0.58659%0.593SS**Hα-helixtrans-68.3-39.9172.1-82.1161.8000111.9S1188 K1194 K1195 Q1196S1188-L1192 WeakPolarHBondContact O-CB 3.19Å; S1188-L1192 WeakPolarHBondContact O-CG 3.35Å; S1188-L1192 PolarHBondContact O-N 2.84Å; L1192-K1194 VanDerWaalsContact C-N 3.33Å; L1192-K1195 PolarHBondContact O-N 3.09Å; L1192-Q1196 WeakPolarHBondContact O-CB 3.4Å; L1192-Q1196 PolarHBondContact O-N 3.4Å
1193R51.6Low44.8Very low187 Ų187121 Ų12171%0.70660%0.603SS**Hα-helixtrans-66-36.1172-75.5178.7-173.4-178.74.5112S1189 S1190 Q1196 A1197S1189-R1193 WeakPolarHBondContact O-CB 3.27Å; S1189-R1193 VanDerWaalsContact O-CG 3.3Å; S1189-R1193 WeakPolarHBondContact O-CG 3.37Å; S1189-R1193 PolarHBondContact O-N 3.45Å; S1190-R1193 PolarHBondContact O-N 3.13Å; R1193-Q1196 PolarHBondContact O-N 2.98Å; R1193-A1197 WeakPolarHBondContact O-CB 3.42Å; R1193-A1197 PolarHBondContact O-N 3.48Å
1194K48Very low44.2Very low140 Ų140121.5 Ų121.561%0.60961%0.61SS**Hα-helixtrans-68.2-43.3175-141.2177.7-177.3-1750111.5S1190 Q1191 L1192 A1197 E1198S1190-K1194 WeakPolarHBondContact O-CB 3.39Å; S1190-K1194 PolarHBondContact O-N 3.08Å; Q1191-K1194 PolarHBondContact O-N 2.86Å; L1192-K1194 VanDerWaalsContact C-N 3.33Å; K1194-A1197 PolarHBondContact O-N 2.95Å; K1194-E1198 WeakPolarHBondContact O-CB 3.4Å; K1194-E1198 VanDerWaalsContact O-CG 3.27Å; K1194-E1198 WeakPolarHBondContact O-CG 3.45Å; K1194-E1198 PolarHBondContact O-N 2.87Å
1195K47.8Very low43.3Very low134 Ų134125.8 Ų125.858%0.58362%0.622SS**Hα-helixtrans-64.2-37.9172.6-83.5-176.1172.8-1790113Q1191 L1192 A1197 E1198 H1199Q1191-K1195 WeakPolarHBondContact O-CB 3.4Å; Q1191-K1195 PolarHBondContact O-N 3.22Å; L1192-K1195 PolarHBondContact O-N 3.09Å; K1195-A1197 VanDerWaalsContact C-N 3.35Å; K1195-E1198 PolarHBondContact O-N 3.11Å; K1195-H1199 PolarHBondContact O-CD2 2.95Å; K1195-H1199 PolarHBondContact O-N 3.13Å; K1195-H1199 VanDerWaalsContact O-N 3.13Å
1196Q46.4Very low42.2Very low146 Ų146127.8 Ų127.868%0.68263%0.633SS**Hα-helixtrans-67.5-34.1173.5-84.2-177.7-16.600112.6L1192 R1193 S1200L1192-Q1196 WeakPolarHBondContact O-CB 3.4Å; L1192-Q1196 PolarHBondContact O-N 3.4Å; R1193-Q1196 PolarHBondContact O-N 2.98Å; Q1196-S1200 PolarHBondContact O-OG 3.45Å
1197A45.8Very low41.4Very low64 Ų64123.6 Ų123.653%0.52963%0.626SS.*Hα-helixtrans-73.8-32.2174.300000112.8R1193 K1194 K1195 S1200R1193-A1197 WeakPolarHBondContact O-CB 3.42Å; R1193-A1197 PolarHBondContact O-N 3.48Å; K1194-A1197 PolarHBondContact O-N 2.95Å; K1195-A1197 VanDerWaalsContact C-N 3.35Å; A1197-S1200 PolarHBondContact O-N 3.42Å; A1197-S1200 PolarHBondContact O-OG 3.49Å
1198E45.8Very low40.7Very low130 Ų130129.5 Ų129.561%0.60765%0.647SS**Hα-helixtrans-76.4-18.8176.9-74.6168.3-171.900113.2K1194 K1195 S1200K1194-E1198 WeakPolarHBondContact O-CB 3.4Å; K1194-E1198 VanDerWaalsContact O-CG 3.27Å; K1194-E1198 WeakPolarHBondContact O-CG 3.45Å; K1194-E1198 PolarHBondContact O-N 2.87Å; K1195-E1198 PolarHBondContact O-N 3.11Å; E1198-S1200 VanDerWaalsContact C-N 3.27Å; E1198-S1200 PolarHBondContact O-N 3.4Å
1199H40.6Very low39.6Very low173 Ų173133.2 Ų133.280%0.80167%0.673SS**THydrogen-bonded Turntrans-82.50.4171.8-83.6-63.1000114.1K1195K1195-H1199 PolarHBondContact O-CD2 2.95Å; K1195-H1199 PolarHBondContact O-N 3.13Å; K1195-H1199 VanDerWaalsContact O-N 3.13Å
1200S36.1Very low38.6Very low83 Ų83138 Ų13858%0.5870%0.695SS**THydrogen-bonded Turntrans-120.242.1-178.150.80000113.4Q1196 A1197 E1198Q1196-S1200 PolarHBondContact O-OG 3.45Å; A1197-S1200 PolarHBondContact O-N 3.42Å; A1197-S1200 PolarHBondContact O-OG 3.49Å; E1198-S1200 VanDerWaalsContact C-N 3.27Å; E1198-S1200 PolarHBondContact O-N 3.4Å
1201E31.5Very low37.6Very low175 Ų175141.8 Ų141.882%0.81871%0.71SS**  trans-148.5131.4151.3-79-151.6160.500110
1202P36.8Very low36.7Very low109 Ų109144.7 Ų144.771%0.70872%0.723SS**  trans-93.7120.8178.731.7-24.6000109.4
1203F28.8Very low35.4Very low191 Ų191150.6 Ų150.684%0.83874%0.738SS**  trans-159.3119.7152.1-102.5-70.1000114.8
1204L30.1Very low35.4Very low153 Ų153147.4 Ų147.480%0.80174%0.741SS**  trans31.4127.1144.7-63.7172.3000121.1
1205Y28.6Very low34.3Very low220 Ų220145.6 Ų145.686%0.86375%0.752SS**  trans-56.9136.2161.2-92.3-101.2000112.1
1206D28.2Very low33.3Very low158 Ų158147 Ų14785%0.84577%0.766SS**  trans-142.4135.7142.2-151.1-5.3000110.3
1207T31.5Very low33.5Very low91 Ų91144.3 Ų144.356%0.55876%0.76SS**  trans-99.5147.3-17034.60000110.8
1208H29.2Very low32.7Very low178 Ų178148.9 Ų148.982%0.82477%0.771SS**  trans102.6105.6164.2-56.1-72000116.7
1209S26.8Very low31.8Very low127 Ų127150.2 Ų150.289%0.88878%0.777SS**  trans-140.1118.6152.2-40.70000108.9
1210N27.5Very low31.2Very low147 Ų147151.1 Ų151.179%0.78678%0.781SS**  trans-91.7133.6167.4-106.6-30.7000108.8
1211L28.2Very low30.7Very low141 Ų141150.3 Ų150.374%0.73879%0.785SS**  trans64.5135136.7-75158.4000121.7
1212Q30.1Very low30.7Very low180 Ų180150.5 Ų150.584%0.84179%0.786SS**  trans94.596.8146.8-73.9172.7-3.100119.9
1213R23.8Very low30.3Very low236 Ų236151.8 Ų151.889%0.89179%0.786SS**  trans-41.5178.6138.4-77.1-175.3-174.9179.71.8113.5
1214P52.1Low30.4Very low120 Ų120148.2 Ų148.278%0.77978%0.78SS**  cis-139172.2-35.934.9-17.5000112.7
1215A24.8Very low30.3Very low101 Ų101151.9 Ų151.984%0.83578%0.783SS**  trans-170.7135140.400000112.4
1216L26.5Very low30.2Very low165 Ų165149.4 Ų149.486%0.86478%0.779SS**  trans-67.1-169.9166.7-75.2154000111.9
1217P50.1Low30.1Very low88 Ų88146.8 Ų146.857%0.57177%0.774SS**  cis-140.4-172.7-11.419.28000114.8
1218H29.1Very low29.9Very low161 Ų161147.1 Ų147.175%0.74578%0.78SS**  trans75.5150.1149.2-68.8-27.4000117.4
1219Q26.8Very low29.9Very low158 Ų158147.7 Ų147.774%0.73878%0.783SS**  cis-171.4144.61.9-122.2174.70.300107.7
1220H29.1Very low30.2Very low192 Ų192152.7 Ų152.789%0.88978%0.782SS**  trans52.2137.4134.6-99.132.5000124.8
1221G26.2Very low30.3Very low65 Ų65155.1 Ų155.167%0.6779%0.789SS**  trans125.3104.7149.900000113.8
1222Q29.7Very low30.4Very low179 Ų179159.5 Ų159.584%0.83680%0.795SS**  58.913187.7-86.4-168.1-6.300112.8
1223L30.1Very low30.3Very low136 Ų136156.2 Ų156.271%0.71279%0.792SS**  cis-171.314630.1-97.9144.2000109.6
1224V30.2Very low30.6Very low116 Ų116153.5 Ų153.570%0.70379%0.787SS**  43.4129.4128.5-178.40000121.9
1225R27.2Very low29.6Very low230 Ų230154.8 Ų154.887%0.86878%0.783SS**  178.9113.2124.4-106.7178.7153177-6.6110.3
1226E27.8Very low29.7Very low168 Ų168159 Ų15979%0.78578%0.782SS**  48.111294-85.6-170.2164.400116.1
1227S26.1Very low29.9Very low104 Ų104160.1 Ų160.173%0.72778%0.78SS**  151.9128.398.870.90000113.3
1228S27.4Very low28.9Very low98 Ų98164 Ų16469%0.68579%0.794SS**  trans48127.9134.764.50000122.2
1229E28.4Very low28.9Very low190 Ų190163.7 Ų163.789%0.88880%0.798SS**  169.2154.196.7-86.8-162.7154.200112.7
1230R32.5Very low29Very low232 Ų232161.6 Ų161.688%0.87580%0.801SS**  trans-87.5151.8-176.1-65.9169.5174.2171.2-1.6111.1
1231H30.2Very low29.3Very low198 Ų198157.2 Ų157.292%0.91779%0.792SS**  -167.2151125.3-104.5-58.8000114.2
1232R30.6Very low29.6Very low232 Ų232162.3 Ų162.388%0.87580%0.795SS**  trans-91.9153-166-79.1170.5155.9171.9-5114.4
1233S27.7Very low29.6Very low112 Ų112161.7 Ų161.778%0.78379%0.79SS**  trans-176.5112.2131.835.30000108.8
1234K30.8Very low29.8Very low179 Ų179165.1 Ų165.178%0.77880%0.795SS**  45134.684.4-85.3-161.5177.2-163.90113.4
1235E30.4Very low29.9Very low147 Ų147169.7 Ų169.769%0.68782%0.824SS**  cis174.8138.9-3.5-139.4178171.500104.4
1236K27.7Very low30.1Very low188 Ų188166.7 Ų166.782%0.81782%0.821SS**  160116.1128.6-90.7174.7-179.6176.40114
1237K29.4Very low30.2Very low189 Ų189166.6 Ų166.682%0.82282%0.823SS**  42.8127.7125.5-68.1-179.6172.4-177.20118.2
1238I28.9Very low30.4Very low170 Ų170170.1 Ų170.187%0.87283%0.829SS**  -159.8136.698.1-89.5150.7000109.7
1239N30Very low30.6Very low155 Ų155174.3 Ų174.383%0.82984%0.837SS**  trans-72.5146169-108.2-15.5000110.9
1240S28.6Very low30.7Very low114 Ų114173.3 Ų173.380%0.79783%0.834SS**  -168.7123122.144.70000111.6
1241S35Very low30.6Very low100 Ų100169.4 Ų169.470%0.69983%0.831SS**  trans-65.8150.8159.748.20000110.8
1242K33.3Very low30.6Very low172 Ų172167.4 Ų167.475%0.74883%0.825SS**  162.8152.1112.9-94.8173.6163.5-176.20114.1
1243F29.5Very low30.6Very low166 Ų166162.4 Ų162.473%0.72882%0.821SS**  trans87106151.1-78.6-68.3000119.2
1244Y33.6Very low30.9Very low207 Ų207166.6 Ų166.681%0.81282%0.824SS**  trans28.8115.4130-81.4-92.6000117.1
1245T33.6Very low30.9Very low212 Ų212165.5 Ų165.5100%1.30183%0.828SS**  -155.2091.4-10.80000109.7

Retrieved 1,245 of 1,245 residues in 2132.5 ms (Link to these results)

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