A0A087X3Y9_POEFO Loading...

Leishmanolysin-like peptidase

Metalloprotease.

AlphaFold DB , UniProt , Accession A0A087X3Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 646 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
1L35.7Very low50.1Low193 Ų19367.6 Ų67.6100%1.0138%0.375SS*.  0132.70-80.5139.5000107.1A3L1-A3 PolarHBondContact O-N 2.87Å
2L44.3Very low52.1Low56 Ų5663.2 Ų63.229%0.29335%0.352SS..EExtended strand (participates in β ladder)trans-68.7116.3166.5-95.5119.2000106.6W476 H477 L478L2-W476 HydrophobicContact CD2-CB 3.91Å; L2-W476 HydrophobicContact CD2-CG 4.21Å; L2-H477 CarbonylContact C-O 3.6Å; L2-H477 VanDerWaalsContact CA-O 3.3Å; L2-H477 WeakPolarHBondContact CA-O 3.42Å; L2-L478 HydrophobicContact CD1-CD1 4.42Å; L2-L478 HydrophobicContact CG-CD1 4.17Å
3A50.7Low54.1Low56 Ų5662.8 Ų62.846%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-95.9133.2174.600000108.1L1 H477L1-A3 PolarHBondContact O-N 2.87Å; A3-H477 PolarHBondContact N-O 3.25Å; A3-H477 PolarHBondContact O-N 2.96Å
4V49.3Very low56.1Low22 Ų2258.4 Ų58.413%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-92.2110170166.70000107.7R410 L414 F474V4-R410 PolarHBondContact O-NH2 3.37Å; V4-L414 HydrophobicContact CB-CD1 3.5Å; V4-L414 VanDerWaalsContact CB-CD1 3.5Å; V4-L414 HydrophobicContact CG1-CD1 3.81Å; V4-L414 HydrophobicContact CG2-CD1 3.46Å; V4-L414 VanDerWaalsContact CG2-CD1 3.46Å; V4-F474 HydrophobicContact CB-CD2 4.11Å; V4-F474 HydrophobicContact CB-CE2 4.31Å; V4-F474 HydrophobicContact CG1-CB 3.83Å; V4-F474 HydrophobicContact CG1-CD1 4.42Å; V4-F474 HydrophobicContact CG1-CD2 3.16Å; V4-F474 HydrophobicContact CG1-CE2 3.68Å; V4-F474 HydrophobicContact CG1-CG 3.57Å; V4-F474 HydrophobicContact CG2-CD2 3.96Å; V4-F474 HydrophobicContact CG2-CE2 3.68Å
5Q46.4Very low58.2Low95 Ų9562.7 Ų62.744%0.44434%0.337SS..EExtended strand (participates in β ladder)trans-94.6118.4168.8-155.2164.8-10.700106S7 S475Q5-S7 PolarHBondContact O-N 2.94Å; Q5-S475 PolarHBondContact N-O 2.79Å; Q5-S475 PolarHBondContact O-N 3.14Å
6A47Very low60Low13 Ų1360.3 Ų60.311%0.10732%0.324CS..EExtended strand (participates in β ladder)trans-54.2140.7163.700000106.2C8 R410A6-C8 PolarHBondContact O-N 2.83Å; A6-R410 VanDerWaalsContact N-NH2 3.16Å
7S47.2Very low61.5Low31 Ų3157.3 Ų57.322%0.21731%0.309CS..  trans-43.6120.5175-170.40000108.1Q5 H9Q5-S7 PolarHBondContact O-N 2.94Å; S7-H9 PolarHBondContact O-N 3.22Å
8C39.4Very low62.8Low76 Ų7656.9 Ų56.951%0.51431%0.311SS..  trans-56.1115.5176.3-90.80000106.8A6 R10A6-C8 PolarHBondContact O-N 2.83Å; C8-R10 PolarHBondContact O-N 3.49Å
9H54.8Low63.6Low48 Ų4856.2 Ų56.222%0.22232%0.318CS..  trans-69.998.6-179.5-66.7-49.2000109S7 T11 T344 V462 Q472S7-H9 PolarHBondContact O-N 3.22Å; H9-T11 PolarHBondContact O-N 2.8Å; H9-T344 WeakPolarHBondContact CE1-CG2 3.28Å; H9-T344 WeakPolarHBondContact ND1-CG2 3.44Å; H9-V462 VanDerWaalsContact CD2-CG2 3.43Å; H9-V462 WeakPolarHBondContact CD2-CG2 3.21Å; H9-V462 VanDerWaalsContact NE2-CG2 3.29Å; H9-V462 WeakPolarHBondContact NE2-CG2 3.23Å; H9-Q472 PolarHBondContact CE1-NE2 2.84Å; H9-Q472 PolarHBondContact CE1-OE1 3.27Å; H9-Q472 PolarHBondContact NE2-NE2 3.21Å; H9-Q472 VanDerWaalsContact NE2-NE2 3.17Å; H9-Q472 PolarHBondContact NE2-OE1 2.89Å
10R65.4Low64.5Low93 Ų9362.7 Ų62.735%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-82101.4172.4-59-172.1-179.2166.73107.2C8 N177 V179 S342 H343C8-R10 PolarHBondContact O-N 3.49Å; R10-N177 HydrophobicContact CB-CB 4.36Å; R10-N177 HydrophobicContact CG-CB 3.98Å; R10-V179 VanDerWaalsContact NH1-CG2 3.3Å; R10-S342 VanDerWaalsContact O-CA 3.25Å; R10-S342 WeakPolarHBondContact O-CA 3.32Å; R10-S342 WeakPolarHBondContact O-CB 3.47Å; R10-H343 PolarHBondContact O-N 2.81Å
11T70.8Confident65.6Low61 Ų6162.3 Ų62.337%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-65.7130.3169.5-51.50000108.7H9 T324 G341H9-T11 PolarHBondContact O-N 2.8Å; T11-T324 HydrophobicContact CG2-CG2 4.12Å; T11-G341 CarbonylContact C-O 3.55Å; T11-G341 WeakPolarHBondContact CA-O 3.36Å; T11-G341 WeakPolarHBondContact CG2-O 3.5Å
12C74.8Confident68.3Low14 Ų1453.2 Ų53.210%0.09529%0.286CS..  trans-79.4125.4173.5-173.90000108.9H222 T324 G341C12-H222 PolarHBondContact SG-NE2 3.33Å; C12-T324 PolarHBondContact O-OG1 2.96Å; C12-T324 VanDerWaalsContact O-OG1 3.05Å; C12-G341 PolarHBondContact N-O 3.11Å
13T78.1Confident70.6Confident58 Ų5850.7 Ų50.736%0.35627%0.273SS..  trans-114.778.3177.550.20000109.6R15 I178 G323T13-R15 PolarHBondContact O-N 3.17Å; T13-I178 WeakPolarHBondContact OG1-CD1 3.27Å; T13-G323 CarbonylContact C-O 3.53Å
14H81.9Confident72.5Confident1 Ų148.4 Ų48.41%0.00525%0.253CS..  trans-71.8110.7175.517648.3000111.4V16 A182 H226 S231 G323 N327H14-V16 PolarHBondContact O-N 3.09Å; H14-A182 PolarHBondContact CE1-O 2.81Å; H14-A182 VanDerWaalsContact CE1-O 3.22Å; H14-A182 PolarHBondContact ND1-O 3.4Å; H14-H226 AromaticContact CD2-CG 3.95Å; H14-H226 AromaticContact CD2-ND1 3.88Å; H14-H226 AromaticContact CG-CD2 3.86Å; H14-H226 AromaticContact CG-CG 3.9Å; H14-S231 PolarHBondContact NE2-OG 3.12Å; H14-G323 WeakPolarHBondContact CA-O 3.33Å; H14-G323 PolarHBondContact N-O 3.19Å; H14-G323 CarbonylContact O-C 3.47Å; H14-G323 WeakPolarHBondContact O-CA 3.23Å; H14-N327 HydrophobicContact CB-CB 4.38Å; H14-N327 PolarHBondContact CD2-OD1 3.29Å; H14-N327 VanDerWaalsContact CD2-OD1 3.29Å
15R87.1Confident74.5Confident124 Ų12448.5 Ų48.547%0.46825%0.252SS..  trans-87.7110.7173171172.3159.6-159.9-5.6110.5T13 E21T13-R15 PolarHBondContact O-N 3.17Å; R15-E21 IonicContact NH2-OE1 3.92Å; R15-E21 IonicContact NH2-OE2 2.7Å; R15-E21 PolarHBondContact NH2-OE2 2.97Å
16V86.8Confident76.7Confident23 Ų2344 Ų4414%0.13923%0.231CC..PPolyproline II helixtrans-54.8131.3167.4-172.40000109.8H14 A232 L263 N327H14-V16 PolarHBondContact O-N 3.09Å; V16-A232 HydrophobicContact CG2-CB 4.31Å; V16-L263 HydrophobicContact CB-CD2 4.06Å; V16-L263 HydrophobicContact CG1-CD2 3.65Å; V16-L263 HydrophobicContact CG2-CD2 4.19Å; V16-N327 WeakPolarHBondContact CG2-OD1 3.27Å
17P86.2Confident78.7Confident10 Ų1046 Ų467%0.06524%0.236CC..PPolyproline II helixtrans-58.4137.8173.8-24.434.2000111.7E21 V22 A183 Y184P17-E21 HydrophobicContact CB-CB 4.08Å; P17-V22 HydrophobicContact CB-CG2 3.45Å; P17-V22 VanDerWaalsContact CB-CG2 3.45Å; P17-V22 HydrophobicContact CG-CG2 4.27Å; P17-A183 HydrophobicContact CG-CB 3.45Å; P17-A183 VanDerWaalsContact CG-CB 3.45Å; P17-Y184 HydrophobicContact CG-CD1 4.39Å; P17-Y184 HydrophobicContact CG-CE1 4.21Å; P17-Y184 VanDerWaalsContact CG-O 3.24Å; P17-Y184 WeakPolarHBondContact CG-O 3.47Å
18S85.3Confident80.6Confident50 Ų5044.8 Ų44.835%0.3523%0.227SC..PPolyproline II helixtrans-68.8160.8172.465.80000111.4R20 E21 V22S18-R20 PolarHBondContact O-N 3.32Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 3.01Å; S18-E21 WeakPolarHBondContact O-CA 3.4Å; S18-E21 WeakPolarHBondContact O-CB 3.49Å; S18-E21 PolarHBondContact O-N 3.45Å; S18-E21 WeakPolarHBondContact OG-CG 3.43Å; S18-E21 PolarHBondContact OG-OE2 2.93Å; S18-V22 PolarHBondContact O-N 2.82Å
19G76.5Confident82.5Confident43 Ų4347.4 Ų47.444%0.44323%0.23SC..THydrogen-bonded Turntrans-58.9-17.9177.700000114.8
20R81.6Confident83.1Confident187 Ų18748.4 Ų48.471%0.70624%0.24SC*.THydrogen-bonded Turntrans-82.5-22173.5-64.7-175.7177.2-179.90.8113.1S18 N99S18-R20 PolarHBondContact O-N 3.32Å; R20-N99 WeakPolarHBondContact CB-ND2 3.47Å; R20-N99 HydrophobicContact CG-CB 4.33Å; R20-N99 WeakPolarHBondContact CG-ND2 3.35Å
21E87.4Confident83.1Confident54 Ų5448.3 Ų48.325%0.25224%0.244SC..THydrogen-bonded Turntrans-88.6-13.9-179.7-68.7167.611800111.9R15 P17 S18R15-E21 IonicContact NH2-OE1 3.92Å; R15-E21 IonicContact NH2-OE2 2.7Å; R15-E21 PolarHBondContact NH2-OE2 2.97Å; P17-E21 HydrophobicContact CB-CB 4.08Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 3.01Å; S18-E21 WeakPolarHBondContact O-CA 3.4Å; S18-E21 WeakPolarHBondContact O-CB 3.49Å; S18-E21 PolarHBondContact O-N 3.45Å; S18-E21 WeakPolarHBondContact OG-CG 3.43Å; S18-E21 PolarHBondContact OG-OE2 2.93Å
22V92.4Very high82.4Confident3 Ų357.4 Ų57.42%0.01827%0.271CS..  trans-113.1128.4-176-172.90000112.2P17 S18 Y184 C185 L187P17-V22 HydrophobicContact CB-CG2 3.45Å; P17-V22 VanDerWaalsContact CB-CG2 3.45Å; P17-V22 HydrophobicContact CG-CG2 4.27Å; S18-V22 PolarHBondContact O-N 2.82Å; V22-Y184 HydrophobicContact CG1-CD2 4.08Å; V22-Y184 HydrophobicContact CG1-CE2 4Å; V22-Y184 HydrophobicContact CG2-CD2 4.09Å; V22-Y184 HydrophobicContact CG2-CE2 3.74Å; V22-C185 CarbonylContact C-O 3.55Å; V22-C185 VanDerWaalsContact CA-O 3.31Å; V22-C185 WeakPolarHBondContact CA-O 2.94Å; V22-L187 HydrophobicContact CG1-CD1 4.26Å; V22-L187 HydrophobicContact CG1-CG 4.29Å
23V92.8Very high81.5Confident2 Ų260.5 Ų60.51%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-98109.3168.6-170.90000109.4V26 Q95 Y101 C185 Q186 L187V23-V26 HydrophobicContact CB-CG2 4.4Å; V23-V26 HydrophobicContact CG1-CG2 3.98Å; V23-Q95 HydrophobicContact CG2-CG 3.64Å; V23-Y101 HydrophobicContact CG1-CE1 4.35Å; V23-C185 PolarHBondContact N-O 3.4Å; V23-Q186 HydrophobicContact CB-CG 3.97Å; V23-Q186 HydrophobicContact CG2-CG 4.39Å; V23-Q186 VanDerWaalsContact O-CA 3.29Å; V23-Q186 WeakPolarHBondContact O-CA 3.43Å; V23-L187 PolarHBondContact O-N 3.02Å
24H92.3Very high80.2Confident8 Ų861.4 Ų61.44%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-82.9164175.2-61.4-94.8000112.7V26 R110 L187 F237 L254 Y264H24-V26 VanDerWaalsContact C-N 3.31Å; H24-V26 PolarHBondContact O-N 3.48Å; H24-R110 WeakPolarHBondContact O-CD 3.41Å; H24-R110 PolarHBondContact O-NH1 3.22Å; H24-L187 CarbonylContact C-O 3.58Å; H24-L187 WeakPolarHBondContact ND1-CD1 3.43Å; H24-F237 AromaticContact CE1-CE2 3.95Å; H24-F237 AromaticContact CE1-CZ 3.46Å; H24-F237 VanDerWaalsContact CE1-CZ 3.46Å; H24-F237 WeakPolarHBondContact CE1-CZ 3.44Å; H24-F237 AromaticContact ND1-CE1 3.83Å; H24-F237 AromaticContact ND1-CZ 3.64Å; H24-L254 HydrophobicContact CB-CD2 3.95Å; H24-Y264 AromaticContact CE1-CE2 3.65Å; H24-Y264 AromaticContact NE2-CE2 3.6Å
25Q90.7Very high78.5Confident24 Ų2472 Ų7211%0.11235%0.346CS..EExtended strand (participates in β ladder)trans52.745.5170.7-58.8172.8-23.500114Y27 L187 A189 S252 L254Q25-Y27 PolarHBondContact O-N 3.34Å; Q25-L187 PolarHBondContact N-O 2.91Å; Q25-A189 HydrophobicContact CB-CB 4.2Å; Q25-S252 PolarHBondContact NE2-O 3.37Å; Q25-L254 HydrophobicContact CG-CD2 4.34Å
26V92Very high76.5Confident0 Ų077.4 Ų77.40%037%0.366CS..EExtended strand (participates in β ladder)trans-72.5118.5175177.80000109V23 H24 L28 Q186 L187 E188 A189 I195V23-V26 HydrophobicContact CB-CG2 4.4Å; V23-V26 HydrophobicContact CG1-CG2 3.98Å; H24-V26 VanDerWaalsContact C-N 3.31Å; H24-V26 PolarHBondContact O-N 3.48Å; V26-L28 HydrophobicContact CG1-CD2 4.45Å; V26-L28 PolarHBondContact O-N 3.43Å; V26-Q186 HydrophobicContact CG2-CB 4.1Å; V26-L187 PolarHBondContact N-O 3.31Å; V26-E188 CarbonylContact O-C 3.59Å; V26-E188 WeakPolarHBondContact O-CA 3.49Å; V26-A189 PolarHBondContact O-N 3.45Å; V26-I195 HydrophobicContact CB-CD1 3.89Å; V26-I195 HydrophobicContact CG1-CD1 3.75Å; V26-I195 HydrophobicContact CG2-CD1 4.49Å
27Y89.7Confident74.8Confident56 Ų5679 Ų7922%0.2238%0.378CS..  trans-71.2126.9177.9176.7-107.3000110.6Q25 K29 P108 H109 Q133Q25-Y27 PolarHBondContact O-N 3.34Å; Y27-K29 HydrophobicContact CE1-CG 4.09Å; Y27-P108 HydrophobicContact CD1-CG 4.36Å; Y27-P108 HydrophobicContact CD2-CB 3.46Å; Y27-P108 VanDerWaalsContact CD2-CB 3.46Å; Y27-P108 HydrophobicContact CD2-CG 3.84Å; Y27-P108 HydrophobicContact CE1-CG 4.23Å; Y27-P108 HydrophobicContact CE2-CB 3.61Å; Y27-P108 HydrophobicContact CE2-CG 3.69Å; Y27-P108 HydrophobicContact CG-CB 4.03Å; Y27-P108 HydrophobicContact CG-CG 4.14Å; Y27-H109 AromaticContact CD1-CD2 3.81Å; Y27-H109 AromaticContact CD1-CE1 3.56Å; Y27-H109 AromaticContact CD1-NE2 3.29Å; Y27-H109 VanDerWaalsContact CD1-NE2 3.29Å; Y27-H109 WeakPolarHBondContact CD1-NE2 3Å; Y27-H109 AromaticContact CE1-CE1 3.85Å; Y27-H109 AromaticContact CE1-NE2 3.89Å; Y27-Q133 PolarHBondContact O-NE2 2.04Å
28L86.9Confident73.5Confident5 Ų581 Ų813%0.02639%0.393CS..  trans-114.8137.9170.9-63-178.9000109.2V26 P30 V87 E188 I195V26-L28 HydrophobicContact CG1-CD2 4.45Å; V26-L28 PolarHBondContact O-N 3.43Å; L28-P30 WeakPolarHBondContact O-CD 3.02Å; L28-V87 HydrophobicContact CB-CB 3.93Å; L28-V87 HydrophobicContact CB-CG1 3.79Å; L28-V87 HydrophobicContact CD1-CB 3.84Å; L28-V87 HydrophobicContact CD1-CG1 4.41Å; L28-V87 HydrophobicContact CD1-CG2 3.87Å; L28-E188 HydrophobicContact CD1-CB 3.85Å; L28-E188 HydrophobicContact CG-CB 4.28Å; L28-I195 HydrophobicContact CD1-CD1 4.15Å; L28-I195 HydrophobicContact CD1-CG2 4Å; L28-I195 HydrophobicContact CD2-CD1 4.17Å; L28-I195 HydrophobicContact CG-CD1 4.37Å
29K78.6Confident72.2Confident131 Ų13183.9 Ų83.957%0.5741%0.411SS*.PPolyproline II helixtrans-65.9128.7177.4-70.8176.9-176.2167.50108.8Y27 E31 G88Y27-K29 HydrophobicContact CE1-CG 4.09Å; K29-E31 PolarHBondContact O-N 2.04Å; K29-G88 VanDerWaalsContact O-CA 3.27Å; K29-G88 WeakPolarHBondContact O-CA 3.04Å; K29-G88 PolarHBondContact O-N 2.89Å
30P67.8Low71.6Confident69 Ų6987.4 Ų87.445%0.44842%0.419SS..PPolyproline II helixtrans-60.2130.2174.5-22.131.9000110.3L28L28-P30 WeakPolarHBondContact O-CD 3.02Å
31E65.7Low70.9Confident91 Ų9181.5 Ų81.543%0.42540%0.401SS..PPolyproline II helixtrans-78.1130.5172.5-159.3175.1-157.100108.9K29 L33 R86K29-E31 PolarHBondContact O-N 2.04Å; E31-L33 PolarHBondContact O-N 2.93Å; E31-R86 WeakPolarHBondContact OE2-CD 3.5Å; E31-R86 WeakPolarHBondContact OE2-CG 3.37Å
32R56.6Low70.8Confident252 Ų25281.1 Ų81.195%0.95140%0.401SS*.  trans-73.480.5173.5-72.4-175.6179.3178.60.3108.8A34R32-A34 PolarHBondContact O-N 3.09Å
33L55.5Low70.7Confident79 Ų7984.5 Ų84.541%0.41442%0.417SS..  trans-61.7123.6173.2-68.3170000109.2E31E31-L33 PolarHBondContact O-N 2.93Å
34A50.4Low70.7Confident77 Ų7784.4 Ų84.464%0.63642%0.416SS*.  trans-64.1147.2170.300000109.2R32 R36 S37R32-A34 PolarHBondContact O-N 3.09Å; A34-R36 PolarHBondContact O-N 3.41Å; A34-S37 PolarHBondContact O-N 2.8Å; A34-S37 PolarHBondContact O-OG 2.94Å
35K46.7Very low70.8Confident223 Ų22387.7 Ų87.797%0.9743%0.43SS*.SBendtrans-55.93.5-178.5-95.7179.3175179.40116.2
36R44.1Very low71.1Confident238 Ų23887 Ų8790%0.89843%0.427SS*.  trans-136.957.6-179.8-72.6-176.4171.3176.8-3111.1A34A34-R36 PolarHBondContact O-N 3.41Å
37S52.3Low71.3Confident56 Ų5692.4 Ų92.439%0.39245%0.451SS..  trans-73.2132.9169.4-90000110A34 D41A34-S37 PolarHBondContact O-N 2.8Å; A34-S37 PolarHBondContact O-OG 2.94Å; S37-D41 VanDerWaalsContact CA-OD2 3.24Å; S37-D41 WeakPolarHBondContact CA-OD2 3.25Å; S37-D41 WeakPolarHBondContact CB-OD2 3.46Å
38S58.4Low71.7Confident52 Ų5291.4 Ų91.436%0.36445%0.449SS..  trans-70.4153.9171.5-179.60000110D40 D41S38-D40 PolarHBondContact O-N 3.15Å; S38-D40 VanDerWaalsContact O-N 3.16Å; S38-D40 PolarHBondContact OG-N 2.82Å; S38-D41 PolarHBondContact N-OD2 2.86Å; S38-D41 VanDerWaalsContact O-CB 3.25Å; S38-D41 WeakPolarHBondContact O-CB 3.47Å; S38-D41 PolarHBondContact O-N 3.44Å
39P58.4Low72.1Confident112 Ų11293 Ų9373%0.72746%0.457SS*.G310 helixtrans-51-32.3167.5-26.935.2000113.7D41 L42P39-D41 PolarHBondContact O-N 3.34Å; P39-L42 PolarHBondContact O-N 2.04Å; P39-L42 VanDerWaalsContact O-N 3.13Å
40D62.5Low73.1Confident117 Ų11789.5 Ų89.563%0.62644%0.441SS*.G310 helixtrans-63.3-25.2175.3-63.2-30.5000112.8S38 L42 Q43S38-D40 PolarHBondContact O-N 3.15Å; S38-D40 VanDerWaalsContact O-N 3.16Å; S38-D40 PolarHBondContact OG-N 2.82Å; D40-L42 PolarHBondContact O-N 2.9Å; D40-Q43 PolarHBondContact O-N 2.92Å
41D68.3Low74.5Confident62 Ų6288 Ų8833%0.33243%0.429SS..G310 helixtrans-70.5-14177.8-65-36.2000112.3S37 S38 P39 R86S37-D41 VanDerWaalsContact CA-OD2 3.24Å; S37-D41 WeakPolarHBondContact CA-OD2 3.25Å; S37-D41 WeakPolarHBondContact CB-OD2 3.46Å; S38-D41 PolarHBondContact N-OD2 2.86Å; S38-D41 VanDerWaalsContact O-CB 3.25Å; S38-D41 WeakPolarHBondContact O-CB 3.47Å; S38-D41 PolarHBondContact O-N 3.44Å; P39-D41 PolarHBondContact O-N 3.34Å; D41-R86 PolarHBondContact O-NE 2.91Å; D41-R86 PolarHBondContact O-NH1 3.49Å; D41-R86 PolarHBondContact O-NH2 3.27Å
42L84.8Confident75.9Confident47 Ų4787.2 Ų87.225%0.24643%0.433CS..G310 helixtrans-104.70177.7-66.7178.4000113.4P39 D40 L44 S82 L83 R86P39-L42 PolarHBondContact O-N 2.04Å; P39-L42 VanDerWaalsContact O-N 3.13Å; D40-L42 PolarHBondContact O-N 2.9Å; L42-L44 PolarHBondContact O-N 3.33Å; L42-S82 CarbonylContact O-C 3.58Å; L42-S82 VanDerWaalsContact O-CA 3.32Å; L42-S82 WeakPolarHBondContact O-CA 3.46Å; L42-S82 VanDerWaalsContact O-CB 3.3Å; L42-S82 WeakPolarHBondContact O-CB 3.48Å; L42-L83 PolarHBondContact O-N 3.28Å; L42-R86 HydrophobicContact CD2-CB 4.4Å
43Q90.7Very high77.8Confident74 Ų7475.7 Ų75.735%0.34639%0.391SS..BIsolated β-bridgetrans-58.4133.6175.6-170.1174.128.700110.7D40 K45 Q78D40-Q43 PolarHBondContact O-N 2.92Å; Q43-K45 PolarHBondContact O-N 3.43Å; Q43-Q78 VanDerWaalsContact CG-O 3.25Å; Q43-Q78 WeakPolarHBondContact CG-O 3.24Å; Q43-Q78 PolarHBondContact NE2-O 2.96Å
44L93.4Very high79.8Confident0 Ų072 Ų720%037%0.372CS..  trans-62130.2177.9175.965.7000109.8L42 I46 Q78 F81 L83 D160 Y363L42-L44 PolarHBondContact O-N 3.33Å; L44-I46 HydrophobicContact CD2-CD1 3.92Å; L44-I46 HydrophobicContact CD2-CG1 4.09Å; L44-I46 HydrophobicContact CG-CD1 4.4Å; L44-I46 HydrophobicContact CG-CG1 4.05Å; L44-Q78 WeakPolarHBondContact O-CB 3.44Å; L44-Q78 WeakPolarHBondContact O-CG 3.05Å; L44-F81 WeakPolarHBondContact CB-O 3.49Å; L44-F81 HydrophobicContact CD2-CB 4.04Å; L44-F81 PolarHBondContact N-O 3.19Å; L44-L83 HydrophobicContact CD1-CD2 3.77Å; L44-L83 HydrophobicContact CD1-CG 4.4Å; L44-D160 HydrophobicContact CD1-CB 3.94Å; L44-Y363 HydrophobicContact CD1-CE1 4.1Å; L44-Y363 HydrophobicContact CD2-CE1 4.3Å
45K94.1Very high81.9Confident76 Ų7671.6 Ų71.633%0.3336%0.359SS..  trans-115.4111.3174.8-63.2176.7-177.6171.80110.8Q43 G158 D160 F161Q43-K45 PolarHBondContact O-N 3.43Å; K45-G158 WeakPolarHBondContact CB-O 3.46Å; K45-G158 WeakPolarHBondContact CD-O 3.03Å; K45-D160 WeakPolarHBondContact CB-OD2 3.02Å; K45-D160 PolarHBondContact N-OD2 2.76Å; K45-D160 PolarHBondContact O-N 2.98Å; K45-F161 PolarHBondContact O-N 3.48Å
46I96Very high84.3Confident11 Ų1168.2 Ų68.26%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-101118.7176.3-59.9165.9000108.7L44 I74 L77 Q78 F161 L163 L228L44-I46 HydrophobicContact CD2-CD1 3.92Å; L44-I46 HydrophobicContact CD2-CG1 4.09Å; L44-I46 HydrophobicContact CG-CD1 4.4Å; L44-I46 HydrophobicContact CG-CG1 4.05Å; I46-I74 HydrophobicContact CB-CD1 4.02Å; I46-I74 HydrophobicContact CB-CG2 3.88Å; I46-I74 HydrophobicContact CD1-CD1 3.74Å; I46-I74 HydrophobicContact CG1-CD1 4.47Å; I46-I74 HydrophobicContact CG2-CD1 3.53Å; I46-I74 HydrophobicContact CG2-CG1 4.26Å; I46-I74 HydrophobicContact CG2-CG2 4.34Å; I46-L77 HydrophobicContact CD1-CB 4.18Å; I46-Q78 HydrophobicContact CD1-CG 4.44Å; I46-Q78 HydrophobicContact CG1-CG 4.43Å; I46-Q78 PolarHBondContact O-OE1 3.44Å; I46-F161 WeakPolarHBondContact CA-O 3.28Å; I46-F161 HydrophobicContact CG1-CB 4.24Å; I46-F161 HydrophobicContact CG1-CD1 4.36Å; I46-F161 HydrophobicContact CG2-CD1 3.96Å; I46-L163 HydrophobicContact CG2-CB 3.95Å; I46-L228 HydrophobicContact CD1-CD1 4.18Å; I46-L228 HydrophobicContact CD1-CD2 4.36Å
47K96.3Very high86.7Confident113 Ų11357.5 Ų57.549%0.49131%0.307SS..EExtended strand (participates in β ladder)trans-95.9121.4174.3-164.875.5175.5-1720110I49 V156 F161 L163K47-I49 HydrophobicContact CG-CD1 4.23Å; K47-V156 HydrophobicContact CB-CG1 3.92Å; K47-V156 HydrophobicContact CG-CG1 3.79Å; K47-F161 PolarHBondContact N-O 2.82Å; K47-L163 PolarHBondContact O-N 2.72Å
48I97.4Very high88.8Confident35 Ų3558.3 Ų58.318%0.17931%0.311CS..EExtended strand (participates in β ladder)trans-84.8130.1175.1-54.4161000109.3Y50 F70 I74 L163 V165I48-Y50 HydrophobicContact CB-CE2 4.35Å; I48-Y50 HydrophobicContact CG2-CD1 4.19Å; I48-Y50 HydrophobicContact CG2-CD2 4.02Å; I48-Y50 HydrophobicContact CG2-CE1 3.83Å; I48-Y50 HydrophobicContact CG2-CE2 3.62Å; I48-Y50 HydrophobicContact CG2-CG 4.29Å; I48-F70 HydrophobicContact CD1-CB 3.89Å; I48-I74 HydrophobicContact CD1-CB 4.46Å; I48-I74 HydrophobicContact CD1-CG1 3.83Å; I48-I74 HydrophobicContact CG1-CG1 3.97Å; I48-L163 WeakPolarHBondContact CA-O 3.38Å; I48-V165 HydrophobicContact CG2-CB 4.2Å; I48-V165 HydrophobicContact CG2-CG2 3.63Å
49I97.3Very high90.5Very high39 Ų3958.1 Ų58.120%0.231%0.313CS..EExtended strand (participates in β ladder)trans-118.6109.8171.3-53-63.8000107.5K47 V162 L163 Y164 V165K47-I49 HydrophobicContact CG-CD1 4.23Å; I49-V162 HydrophobicContact CG1-CG1 3.68Å; I49-L163 PolarHBondContact N-O 2.7Å; I49-Y164 HydrophobicContact CB-CD1 3.81Å; I49-Y164 HydrophobicContact CB-CE1 3.98Å; I49-Y164 HydrophobicContact CG1-CD1 4.44Å; I49-Y164 HydrophobicContact CG1-CE1 4.18Å; I49-Y164 HydrophobicContact CG2-CD1 3.92Å; I49-Y164 HydrophobicContact CG2-CE1 3.96Å; I49-Y164 CarbonylContact O-C 3.55Å; I49-Y164 WeakPolarHBondContact O-CA 3.11Å; I49-V165 PolarHBondContact O-N 3.19Å
50Y97.7Very high92.2Very high57 Ų5755.8 Ų55.822%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-81.3127.2178.2-66.8-74.9000110.6I48 V54 V65 K66 F70 V165I48-Y50 HydrophobicContact CB-CE2 4.35Å; I48-Y50 HydrophobicContact CG2-CD1 4.19Å; I48-Y50 HydrophobicContact CG2-CD2 4.02Å; I48-Y50 HydrophobicContact CG2-CE1 3.83Å; I48-Y50 HydrophobicContact CG2-CE2 3.62Å; I48-Y50 HydrophobicContact CG2-CG 4.29Å; Y50-V54 HydrophobicContact CD1-CB 4.31Å; Y50-V54 HydrophobicContact CD1-CG1 3.98Å; Y50-V54 HydrophobicContact CD1-CG2 4.14Å; Y50-V65 HydrophobicContact CE1-CG1 4.08Å; Y50-V65 PolarHBondContact OH-O 3Å; Y50-K66 HydrophobicContact CD1-CG 4.3Å; Y50-K66 HydrophobicContact CD2-CG 4.47Å; Y50-K66 HydrophobicContact CE1-CG 4.07Å; Y50-K66 HydrophobicContact CE2-CG 4.26Å; Y50-K66 HydrophobicContact CG-CG 4.48Å; Y50-F70 HydrophobicContact CE1-CD2 4.48Å; Y50-V165 HydrophobicContact CD1-CB 3.8Å; Y50-V165 HydrophobicContact CD1-CG1 3.79Å; Y50-V165 HydrophobicContact CE1-CB 4Å; Y50-V165 HydrophobicContact CE1-CG1 3.79Å; Y50-V165 HydrophobicContact CE1-CG2 4.5Å
51D97.4Very high93.7Very high38 Ų3852 Ų5220%0.20327%0.273CS..  trans-70.4152.4166.6178.6-102000110.6S53 V54 V125 V165D51-S53 PolarHBondContact O-N 2.03Å; D51-S53 VanDerWaalsContact O-N 3.09Å; D51-S53 WeakPolarHBondContact OD1-CB 3.46Å; D51-S53 PolarHBondContact OD1-N 2.84Å; D51-S53 PolarHBondContact OD1-OG 2.82Å; D51-V54 WeakPolarHBondContact O-CB 3.31Å; D51-V54 PolarHBondContact O-N 2.87Å; D51-V125 HydrophobicContact CB-CG1 4.12Å; D51-V125 HydrophobicContact CB-CG2 4.09Å; D51-V165 WeakPolarHBondContact CB-O 3.43Å; D51-V165 PolarHBondContact N-O 2.05Å
52S96.2Very high95Very high73 Ų7353.7 Ų53.751%0.5127%0.274SS..Hα-helixtrans-60.9-21.8-178660000113.5V54 D55 Q56S52-V54 PolarHBondContact O-N 2.78Å; S52-D55 PolarHBondContact O-N 3.26Å; S52-Q56 WeakPolarHBondContact O-CG 3.44Å; S52-Q56 PolarHBondContact O-N 2.93Å
53S96.7Very high95.5Very high11 Ų1158.5 Ų58.58%0.07729%0.289CS..Hα-helixtrans-56.6-31.5171.156.80000113.5D51 D55 Q56 G167 I168D51-S53 PolarHBondContact O-N 2.03Å; D51-S53 VanDerWaalsContact O-N 3.09Å; D51-S53 WeakPolarHBondContact OD1-CB 3.46Å; D51-S53 PolarHBondContact OD1-N 2.84Å; D51-S53 PolarHBondContact OD1-OG 2.82Å; S53-D55 VanDerWaalsContact C-N 3.32Å; S53-Q56 PolarHBondContact O-N 2.81Å; S53-G167 PolarHBondContact OG-N 2.95Å; S53-I168 WeakPolarHBondContact OG-CG1 3.5Å
54V96.8Very high95.7Very high1 Ų155.9 Ų55.91%0.00628%0.277CS..Hα-helixtrans-70.1-34177.3-179.20000110.9Y50 D51 S52 Q56 L57 V65 K66 V165Y50-V54 HydrophobicContact CD1-CB 4.31Å; Y50-V54 HydrophobicContact CD1-CG1 3.98Å; Y50-V54 HydrophobicContact CD1-CG2 4.14Å; D51-V54 WeakPolarHBondContact O-CB 3.31Å; D51-V54 PolarHBondContact O-N 2.87Å; S52-V54 PolarHBondContact O-N 2.78Å; V54-Q56 PolarHBondContact O-N 3.02Å; V54-L57 HydrophobicContact CG1-CD1 4.2Å; V54-L57 WeakPolarHBondContact O-CB 3.44Å; V54-L57 PolarHBondContact O-N 3.08Å; V54-V65 HydrophobicContact CG1-CB 4.43Å; V54-V65 HydrophobicContact CG1-CG1 3.82Å; V54-K66 HydrophobicContact CG1-CD 4.16Å; V54-K66 HydrophobicContact CG1-CG 3.92Å; V54-V165 HydrophobicContact CG2-CG1 4.33Å
55D95.4Very high95.8Very high69 Ų6956 Ų5637%0.36928%0.278SS..Hα-helixtrans-71.8-22.4177.8-66.7-39.7000112.8S52 S53 L57 R62 K66S52-D55 PolarHBondContact O-N 3.26Å; S53-D55 VanDerWaalsContact C-N 3.32Å; D55-L57 VanDerWaalsContact C-N 3.33Å; D55-R62 PolarHBondContact O-NH1 3.42Å; D55-K66 IonicContact OD1-NZ 2.61Å; D55-K66 PolarHBondContact OD1-NZ 3.35Å
56Q95.6Very high96Very high151 Ų15155.4 Ų55.471%0.70628%0.275SS*.THydrogen-bonded Turntrans-81-9.8175.1-62.5169.621.100113.3S52 S53 V54S52-Q56 WeakPolarHBondContact O-CG 3.44Å; S52-Q56 PolarHBondContact O-N 2.93Å; S53-Q56 PolarHBondContact O-N 2.81Å; V54-Q56 PolarHBondContact O-N 3.02Å
57L95.1Very high95.9Very high14 Ų1459.9 Ų59.97%0.07330%0.299CS..SBendtrans-65.8152.1174.6-65.1175000111.3V54 D55 K61 R62 V65 P203 I206V54-L57 HydrophobicContact CG1-CD1 4.2Å; V54-L57 WeakPolarHBondContact O-CB 3.44Å; V54-L57 PolarHBondContact O-N 3.08Å; D55-L57 VanDerWaalsContact C-N 3.33Å; L57-K61 HydrophobicContact CB-CB 4.34Å; L57-R62 HydrophobicContact CB-CB 4.21Å; L57-V65 HydrophobicContact CD1-CG2 4.31Å; L57-P203 HydrophobicContact CD2-CB 3.88Å; L57-P203 HydrophobicContact CD2-CG 4.11Å; L57-I206 HydrophobicContact CD1-CD1 3.92Å; L57-I206 HydrophobicContact CD2-CD1 4.31Å
58P95.6Very high95.9Very high72 Ų7260 Ų6047%0.46830%0.3SS..  trans-48.8145.6168.3-28.535.8000112.4D60 K61 R62P58-D60 VanDerWaalsContact C-N 3.28Å; P58-D60 WeakPolarHBondContact CB-OD1 3.03Å; P58-D60 PolarHBondContact O-N 3.39Å; P58-K61 HydrophobicContact CB-CG 4.44Å; P58-K61 HydrophobicContact CG-CD 4.23Å; P58-K61 PolarHBondContact O-N 2.72Å; P58-R62 WeakPolarHBondContact O-CB 3.38Å; P58-R62 PolarHBondContact O-N 3.15Å
59A95Very high95.8Very high49 Ų4958.3 Ų58.341%0.40529%0.291SS..Hα-helixtrans-59.5-34.3-16800000114.3R63A59-R63 WeakPolarHBondContact O-CB 3.01Å; A59-R63 WeakPolarHBondContact O-CG 3.43Å; A59-R63 PolarHBondContact O-N 3.38Å; A59-R63 VanDerWaalsContact O-N 3.14Å; A59-R63 PolarHBondContact O-NE 3.02Å
60D93.1Very high95.8Very high63 Ų6356.4 Ų56.434%0.33728%0.282SS..Hα-helixtrans-66.3-49.4173.864.6-43.8000111.7P58 R63 L64 S208P58-D60 VanDerWaalsContact C-N 3.28Å; P58-D60 WeakPolarHBondContact CB-OD1 3.03Å; P58-D60 PolarHBondContact O-N 3.39Å; D60-R63 PolarHBondContact O-N 2.92Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 2.86Å; D60-S208 WeakPolarHBondContact OD2-CB 3.25Å; D60-S208 PolarHBondContact OD2-OG 2.76Å
61K94.6Very high95.8Very high38 Ų3856 Ų5617%0.16529%0.286CS..Hα-helixtrans-64.3-41.7177.2-63.9-173.2-178.6-147.10112L57 P58 L64 V65 P203 I206L57-K61 HydrophobicContact CB-CB 4.34Å; P58-K61 HydrophobicContact CB-CG 4.44Å; P58-K61 HydrophobicContact CG-CD 4.23Å; P58-K61 PolarHBondContact O-N 2.72Å; K61-L64 WeakPolarHBondContact O-CB 3.41Å; K61-L64 PolarHBondContact O-N 3.01Å; K61-V65 WeakPolarHBondContact O-CG2 2.98Å; K61-V65 PolarHBondContact O-N 3.34Å; K61-P203 PolarHBondContact NZ-O 2.85Å; K61-I206 HydrophobicContact CB-CG2 4.06Å; K61-I206 HydrophobicContact CD-CB 4.03Å; K61-I206 HydrophobicContact CD-CG2 4.12Å; K61-I206 WeakPolarHBondContact CE-O 3.29Å; K61-I206 HydrophobicContact CG-CB 4.45Å; K61-I206 HydrophobicContact CG-CG2 3.98Å; K61-I206 PolarHBondContact NZ-O 3.08Å
62R96Very high95.8Very high96 Ų9658.1 Ų58.136%0.36229%0.294SS..Hα-helixtrans-60.5-48.4177.4-176.3174.765.8-162.62.5111.6D55 L57 P58 V65 K66D55-R62 PolarHBondContact O-NH1 3.42Å; L57-R62 HydrophobicContact CB-CB 4.21Å; P58-R62 WeakPolarHBondContact O-CB 3.38Å; P58-R62 PolarHBondContact O-N 3.15Å; R62-V65 PolarHBondContact O-N 2.83Å; R62-K66 HydrophobicContact CG-CD 3.84Å; R62-K66 HydrophobicContact CG-CG 4.42Å; R62-K66 WeakPolarHBondContact O-CB 3.33Å; R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 2.78Å
63R95.1Very high95.9Very high149 Ų14954.6 Ų54.656%0.56227%0.27SS*.Hα-helixtrans-62.9-42.2175.4-76.3-174.7-64.2-138.3-0.2111.6A59 D60 V65 D67A59-R63 WeakPolarHBondContact O-CB 3.01Å; A59-R63 WeakPolarHBondContact O-CG 3.43Å; A59-R63 PolarHBondContact O-N 3.38Å; A59-R63 VanDerWaalsContact O-N 3.14Å; A59-R63 PolarHBondContact O-NE 3.02Å; D60-R63 PolarHBondContact O-N 2.92Å; R63-V65 VanDerWaalsContact C-N 3.32Å; R63-V65 PolarHBondContact O-N 3.11Å; R63-D67 WeakPolarHBondContact CA-OD2 3.32Å; R63-D67 WeakPolarHBondContact CB-OD2 3.27Å; R63-D67 WeakPolarHBondContact CG-OD2 3.33Å; R63-D67 WeakPolarHBondContact O-CA 3.35Å; R63-D67 WeakPolarHBondContact O-CB 3.24Å; R63-D67 PolarHBondContact O-N 3.32Å
64L94.9Very high96Very high18 Ų1854.5 Ų54.59%0.09427%0.268CS..Iπ-helixtrans-56.3-46.9175.3172.266.6000111.7D60 K61 K68 L69 I206 S207 F213 M216D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 2.86Å; K61-L64 WeakPolarHBondContact O-CB 3.41Å; K61-L64 PolarHBondContact O-N 3.01Å; L64-K68 HydrophobicContact CD1-CB 4.39Å; L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 PolarHBondContact O-N 3.07Å; L64-L69 HydrophobicContact CD1-CD1 4.18Å; L64-L69 HydrophobicContact CD1-CD2 4.38Å; L64-L69 HydrophobicContact CD1-CG 3.84Å; L64-L69 HydrophobicContact CD2-CD1 4.08Å; L64-L69 HydrophobicContact CG-CD1 3.75Å; L64-L69 HydrophobicContact CG-CG 3.92Å; L64-L69 PolarHBondContact O-N 2.91Å; L64-I206 HydrophobicContact CD2-CG2 3.94Å; L64-S207 WeakPolarHBondContact CD2-O 3.43Å; L64-F213 HydrophobicContact CD1-CD2 3.66Å; L64-F213 HydrophobicContact CD1-CE2 3.77Å; L64-M216 HydrophobicContact CD2-CE 3.88Å; L64-M216 HydrophobicContact CD2-SD 4.39Å
65V96.3Very high96Very high2 Ų258 Ų581%0.01229%0.287CS..Iπ-helixtrans-69.7-47.2-179.3171.10000112.3Y50 V54 L57 K61 R62 R63 L69 F70 V165 L201 I206Y50-V65 HydrophobicContact CE1-CG1 4.08Å; Y50-V65 PolarHBondContact OH-O 3Å; V54-V65 HydrophobicContact CG1-CB 4.43Å; V54-V65 HydrophobicContact CG1-CG1 3.82Å; L57-V65 HydrophobicContact CD1-CG2 4.31Å; K61-V65 WeakPolarHBondContact O-CG2 2.98Å; K61-V65 PolarHBondContact O-N 3.34Å; R62-V65 PolarHBondContact O-N 2.83Å; R63-V65 VanDerWaalsContact C-N 3.32Å; R63-V65 PolarHBondContact O-N 3.11Å; V65-L69 HydrophobicContact CG2-CD1 4.46Å; V65-F70 HydrophobicContact CG1-CD2 3.79Å; V65-F70 HydrophobicContact CG1-CE2 3.92Å; V65-F70 PolarHBondContact O-N 3.42Å; V65-V165 HydrophobicContact CG1-CG1 4.49Å; V65-L201 HydrophobicContact CG2-CD2 4.08Å; V65-I206 HydrophobicContact CG2-CD1 4.25Å
66K96.8Very high96.1Very high65 Ų6556 Ų5628%0.28327%0.274SS..Iπ-helixtrans-81.8-31.8-172.9-64.5-176.385.1169.30113.9Y50 V54 D55 R62 P71Y50-K66 HydrophobicContact CD1-CG 4.3Å; Y50-K66 HydrophobicContact CD2-CG 4.47Å; Y50-K66 HydrophobicContact CE1-CG 4.07Å; Y50-K66 HydrophobicContact CE2-CG 4.26Å; Y50-K66 HydrophobicContact CG-CG 4.48Å; V54-K66 HydrophobicContact CG1-CD 4.16Å; V54-K66 HydrophobicContact CG1-CG 3.92Å; D55-K66 IonicContact OD1-NZ 2.61Å; D55-K66 PolarHBondContact OD1-NZ 3.35Å; R62-K66 HydrophobicContact CG-CD 3.84Å; R62-K66 HydrophobicContact CG-CG 4.42Å; R62-K66 WeakPolarHBondContact O-CB 3.33Å; R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 2.78Å; K66-P71 WeakPolarHBondContact O-CG 3.17Å
67D95.6Very high96.2Very high104 Ų10448.8 Ų48.856%0.55624%0.241SC*.Iπ-helixtrans-107.9-17.8-169.9-47-24.8000112.5R63R63-D67 WeakPolarHBondContact CA-OD2 3.32Å; R63-D67 WeakPolarHBondContact CB-OD2 3.27Å; R63-D67 WeakPolarHBondContact CG-OD2 3.33Å; R63-D67 WeakPolarHBondContact O-CA 3.35Å; R63-D67 WeakPolarHBondContact O-CB 3.24Å; R63-D67 PolarHBondContact O-N 3.32Å
68K95.4Very high96.3Very high115 Ų11550.3 Ų50.350%0.525%0.248SC..Iπ-helixtrans-126.5-67.9-176-61.2-170.5175.5-172.60114.1L64 Q72 F213L64-K68 HydrophobicContact CD1-CB 4.39Å; L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 PolarHBondContact O-N 3.07Å; K68-Q72 VanDerWaalsContact O-CB 3.23Å; K68-Q72 WeakPolarHBondContact O-CB 3.28Å; K68-Q72 WeakPolarHBondContact O-CG 3.43Å; K68-Q72 PolarHBondContact O-N 3.47Å; K68-F213 HydrophobicContact CB-CE2 3.76Å; K68-F213 HydrophobicContact CB-CZ 4.06Å; K68-F213 HydrophobicContact CD-CE2 4.29Å
69L95.7Very high96.3Very high0 Ų052.4 Ų52.40%025%0.246CC..Iπ-helixtrans-58.4-61.4-167.4-74.1176.5000113.2L64 V65 A73 L201 F213 M216 L217L64-L69 HydrophobicContact CD1-CD1 4.18Å; L64-L69 HydrophobicContact CD1-CD2 4.38Å; L64-L69 HydrophobicContact CD1-CG 3.84Å; L64-L69 HydrophobicContact CD2-CD1 4.08Å; L64-L69 HydrophobicContact CG-CD1 3.75Å; L64-L69 HydrophobicContact CG-CG 3.92Å; L64-L69 PolarHBondContact O-N 2.91Å; V65-L69 HydrophobicContact CG2-CD1 4.46Å; L69-A73 VanDerWaalsContact O-CB 3.3Å; L69-A73 WeakPolarHBondContact O-CB 3.19Å; L69-A73 PolarHBondContact O-N 3.22Å; L69-L201 HydrophobicContact CD1-CD2 4.19Å; L69-F213 HydrophobicContact CD2-CD2 4.02Å; L69-F213 HydrophobicContact CD2-CE2 3.69Å; L69-F213 HydrophobicContact CD2-CZ 4.43Å; L69-F213 HydrophobicContact CG-CE2 4.23Å; L69-M216 HydrophobicContact CD1-CB 4.43Å; L69-M216 HydrophobicContact CD1-SD 4.44Å; L69-M216 HydrophobicContact CD2-CB 3.85Å; L69-L217 HydrophobicContact CD2-CB 4.13Å; L69-L217 WeakPolarHBondContact O-CD1 3.4Å
70F97.4Very high96.4Very high0 Ų050 Ų500%023%0.227CC..Hα-helixtrans-69.3-45.5-178.8-80.5-87.3000113.1I48 Y50 V65 Q72 A73 I74 L163 V165 A199 L201 V220 I224I48-F70 HydrophobicContact CD1-CB 3.89Å; Y50-F70 HydrophobicContact CE1-CD2 4.48Å; V65-F70 HydrophobicContact CG1-CD2 3.79Å; V65-F70 HydrophobicContact CG1-CE2 3.92Å; V65-F70 PolarHBondContact O-N 3.42Å; F70-Q72 VanDerWaalsContact C-N 3.31Å; F70-Q72 PolarHBondContact O-N 3.3Å; F70-A73 PolarHBondContact O-N 2.78Å; F70-I74 WeakPolarHBondContact O-CB 3.38Å; F70-I74 VanDerWaalsContact O-CG1 3.31Å; F70-I74 WeakPolarHBondContact O-CG1 3.43Å; F70-I74 PolarHBondContact O-N 3.43Å; F70-L163 HydrophobicContact CD1-CD2 3.99Å; F70-L163 HydrophobicContact CE1-CD2 3.96Å; F70-V165 HydrophobicContact CD1-CG1 4.47Å; F70-V165 HydrophobicContact CD1-CG2 3.67Å; F70-V165 HydrophobicContact CD2-CG1 3.92Å; F70-V165 HydrophobicContact CE1-CB 4.36Å; F70-V165 HydrophobicContact CE1-CG1 4Å; F70-V165 HydrophobicContact CE1-CG2 3.4Å; F70-V165 VanDerWaalsContact CE1-CG2 3.4Å; F70-V165 HydrophobicContact CE2-CB 4.47Å; F70-V165 HydrophobicContact CE2-CG1 3.34Å; F70-V165 HydrophobicContact CE2-CG2 4.27Å; F70-V165 HydrophobicContact CG-CG1 4.43Å; F70-V165 HydrophobicContact CG-CG2 4.22Å; F70-V165 HydrophobicContact CZ-CB 4.2Å; F70-V165 HydrophobicContact CZ-CG1 3.38Å; F70-V165 HydrophobicContact CZ-CG2 3.72Å; F70-A199 HydrophobicContact CE1-CB 3.74Å; F70-A199 HydrophobicContact CZ-CB 3.89Å; F70-L201 HydrophobicContact CE2-CD1 3.28Å; F70-L201 HydrophobicContact CE2-CD2 4.45Å; F70-L201 HydrophobicContact CE2-CG 4.5Å; F70-L201 HydrophobicContact CZ-CD1 3.31Å; F70-V220 HydrophobicContact CD1-CG1 4Å; F70-V220 HydrophobicContact CE1-CG1 3.88Å; F70-V220 HydrophobicContact CG-CG1 4.41Å; F70-V220 HydrophobicContact CZ-CG1 4.21Å; F70-I224 HydrophobicContact CD1-CD1 4.09Å; F70-I224 HydrophobicContact CE1-CD1 4.12Å
71P97.8Very high96.6Very high48 Ų4847.3 Ų47.331%0.31221%0.212SC..Hα-helixtrans-55.2-44.7177-28.135.2000113.1K66 D75K66-P71 WeakPolarHBondContact O-CG 3.17Å; P71-D75 VanDerWaalsContact O-CB 3.22Å; P71-D75 WeakPolarHBondContact O-CB 3.38Å; P71-D75 PolarHBondContact O-N 2.8Å
72Q97.7Very high96.6Very high82 Ų8247.1 Ų47.138%0.38322%0.216SC..Hα-helixtrans-71.1-37.7179.2-67.7-178.827.700112.7K68 F70 Y76 L217K68-Q72 VanDerWaalsContact O-CB 3.23Å; K68-Q72 WeakPolarHBondContact O-CB 3.28Å; K68-Q72 WeakPolarHBondContact O-CG 3.43Å; K68-Q72 PolarHBondContact O-N 3.47Å; F70-Q72 VanDerWaalsContact C-N 3.31Å; F70-Q72 PolarHBondContact O-N 3.3Å; Q72-Y76 PolarHBondContact O-N 3.31Å; Q72-Y76 VanDerWaalsContact O-N 3.09Å; Q72-L217 HydrophobicContact CB-CD1 3.9Å; Q72-L217 HydrophobicContact CB-CD2 4.43Å
73A97.8Very high96.4Very high0 Ų042.6 Ų42.60%020%0.198CC..Hα-helixtrans-63.5-46175.200000111.5L69 F70 Y76 L77 L217 V220 K221 I224L69-A73 VanDerWaalsContact O-CB 3.3Å; L69-A73 WeakPolarHBondContact O-CB 3.19Å; L69-A73 PolarHBondContact O-N 3.22Å; F70-A73 PolarHBondContact O-N 2.78Å; A73-Y76 PolarHBondContact O-N 2.92Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.5Å; A73-L77 PolarHBondContact O-N 3.46Å; A73-L77 VanDerWaalsContact O-N 3.08Å; A73-L217 HydrophobicContact CB-CD1 4.03Å; A73-V220 HydrophobicContact CB-CB 4.48Å; A73-V220 HydrophobicContact CB-CG1 3.78Å; A73-K221 HydrophobicContact CB-CG 3.68Å; A73-I224 HydrophobicContact CB-CD1 4.21Å
74I97.9Very high96.1Very high8 Ų837.8 Ų37.84%0.04118%0.18CC..Hα-helixtrans-66.1-43.7178-68.3-51.6000111.4I46 I48 F70 Y76 L77 Q78 L163 I224I46-I74 HydrophobicContact CB-CD1 4.02Å; I46-I74 HydrophobicContact CB-CG2 3.88Å; I46-I74 HydrophobicContact CD1-CD1 3.74Å; I46-I74 HydrophobicContact CG1-CD1 4.47Å; I46-I74 HydrophobicContact CG2-CD1 3.53Å; I46-I74 HydrophobicContact CG2-CG1 4.26Å; I46-I74 HydrophobicContact CG2-CG2 4.34Å; I48-I74 HydrophobicContact CD1-CB 4.46Å; I48-I74 HydrophobicContact CD1-CG1 3.83Å; I48-I74 HydrophobicContact CG1-CG1 3.97Å; F70-I74 WeakPolarHBondContact O-CB 3.38Å; F70-I74 VanDerWaalsContact O-CG1 3.31Å; F70-I74 WeakPolarHBondContact O-CG1 3.43Å; F70-I74 PolarHBondContact O-N 3.43Å; I74-Y76 VanDerWaalsContact C-N 3.29Å; I74-Y76 PolarHBondContact O-N 3.41Å; I74-L77 HydrophobicContact CD1-CD1 4.4Å; I74-L77 PolarHBondContact O-N 3.2Å; I74-L77 VanDerWaalsContact O-N 3.11Å; I74-Q78 HydrophobicContact CG2-CG 3.95Å; I74-Q78 VanDerWaalsContact CG2-OE1 3.32Å; I74-Q78 WeakPolarHBondContact O-CB 3.41Å; I74-Q78 WeakPolarHBondContact O-CG 3.21Å; I74-Q78 PolarHBondContact O-N 3.39Å; I74-L163 HydrophobicContact CD1-CD2 4.02Å; I74-I224 HydrophobicContact CD1-CD1 3.91Å; I74-I224 HydrophobicContact CD1-CG2 4.37Å
75D97.7Very high95.4Very high75 Ų7542.4 Ų42.440%0.40120%0.196SC..Hα-helixtrans-57.5-41.8176.2173.673.1000112.1P71 R79P71-D75 VanDerWaalsContact O-CB 3.22Å; P71-D75 WeakPolarHBondContact O-CB 3.38Å; P71-D75 PolarHBondContact O-N 2.8Å; D75-R79 VanDerWaalsContact O-CG 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.35Å; D75-R79 PolarHBondContact O-N 3.45Å; D75-R79 PolarHBondContact O-NE 3.37Å; D75-R79 IonicContact OD1-NE 2.7Å; D75-R79 IonicContact OD2-CZ 3.97Å; D75-R79 IonicContact OD2-NE 2.72Å; D75-R79 PolarHBondContact OD2-NE 3.39Å; D75-R79 IonicContact OD2-NH2 3.63Å; D75-R79 PolarHBondContact OD2-NH2 2.84Å
76Y97.3Very high94.4Very high26 Ų2643.6 Ų43.610%0.10220%0.201CC..Hα-helixtrans-60.3-50.7172.3172.5-95.7000111.8Q72 A73 I74 Q78 R79 A80 K221 F349 L369Q72-Y76 PolarHBondContact O-N 3.31Å; Q72-Y76 VanDerWaalsContact O-N 3.09Å; A73-Y76 PolarHBondContact O-N 2.92Å; I74-Y76 VanDerWaalsContact C-N 3.29Å; I74-Y76 PolarHBondContact O-N 3.41Å; Y76-Q78 PolarHBondContact O-N 3.28Å; Y76-R79 PolarHBondContact O-N 2.92Å; Y76-A80 HydrophobicContact CE1-CB 4.34Å; Y76-A80 WeakPolarHBondContact O-CB 3.1Å; Y76-A80 PolarHBondContact O-N 3.38Å; Y76-K221 HydrophobicContact CD1-CD 3.8Å; Y76-K221 HydrophobicContact CD1-CG 4.49Å; Y76-K221 HydrophobicContact CE1-CD 4.41Å; Y76-K221 HydrophobicContact CG-CD 4.13Å; Y76-F349 HydrophobicContact CE1-CD1 4.41Å; Y76-F349 HydrophobicContact CE1-CG 4.33Å; Y76-F349 VanDerWaalsContact OH-CB 3.25Å; Y76-F349 WeakPolarHBondContact OH-CB 3.19Å; Y76-L369 HydrophobicContact CE2-CB 4.44Å
77L97.7Very high93.1Very high0 Ų040.9 Ų40.90%019%0.19CC..Hα-helixtrans-65.4-38.4-175.9-67.7169.1000112.8I46 A73 I74 R79 A80 F81 I224 I225 L228I46-L77 HydrophobicContact CD1-CB 4.18Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.5Å; A73-L77 PolarHBondContact O-N 3.46Å; A73-L77 VanDerWaalsContact O-N 3.08Å; I74-L77 HydrophobicContact CD1-CD1 4.4Å; I74-L77 PolarHBondContact O-N 3.2Å; I74-L77 VanDerWaalsContact O-N 3.11Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.93Å; L77-A80 PolarHBondContact O-N 3.18Å; L77-F81 HydrophobicContact CD2-CD2 4.32Å; L77-F81 HydrophobicContact CD2-CE2 3.85Å; L77-F81 WeakPolarHBondContact O-CD2 3.24Å; L77-F81 PolarHBondContact O-N 3.21Å; L77-I224 HydrophobicContact CD1-CB 3.78Å; L77-I224 HydrophobicContact CD1-CD1 4.35Å; L77-I224 HydrophobicContact CD1-CG2 3.33Å; L77-I225 HydrophobicContact CD2-CD1 4.25Å; L77-I225 HydrophobicContact CD2-CG1 3.85Å; L77-L228 HydrophobicContact CD1-CD1 4.09Å; L77-L228 HydrophobicContact CD2-CD1 4.4Å
78Q96.4Very high91.9Very high46 Ų4636.2 Ų36.222%0.21517%0.166CC..Hα-helixtrans-69.2-25.4175.9-67.7-171.6-176.500113.1Q43 L44 I46 I74 Y76Q43-Q78 VanDerWaalsContact CG-O 3.25Å; Q43-Q78 WeakPolarHBondContact CG-O 3.24Å; Q43-Q78 PolarHBondContact NE2-O 2.96Å; L44-Q78 WeakPolarHBondContact O-CB 3.44Å; L44-Q78 WeakPolarHBondContact O-CG 3.05Å; I46-Q78 HydrophobicContact CD1-CG 4.44Å; I46-Q78 HydrophobicContact CG1-CG 4.43Å; I46-Q78 PolarHBondContact O-OE1 3.44Å; I74-Q78 HydrophobicContact CG2-CG 3.95Å; I74-Q78 VanDerWaalsContact CG2-OE1 3.32Å; I74-Q78 WeakPolarHBondContact O-CB 3.41Å; I74-Q78 WeakPolarHBondContact O-CG 3.21Å; I74-Q78 PolarHBondContact O-N 3.39Å; Y76-Q78 PolarHBondContact O-N 3.28Å
79R96.6Very high91Very high116 Ų11633.9 Ų33.944%0.43816%0.163SC..Hα-helixtrans-83.6-30171.7-68.4-177.2-70.1151.9-5112.1D75 Y76 L77 N366 L369D75-R79 VanDerWaalsContact O-CG 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.35Å; D75-R79 PolarHBondContact O-N 3.45Å; D75-R79 PolarHBondContact O-NE 3.37Å; D75-R79 IonicContact OD1-NE 2.7Å; D75-R79 IonicContact OD2-CZ 3.97Å; D75-R79 IonicContact OD2-NE 2.72Å; D75-R79 PolarHBondContact OD2-NE 3.39Å; D75-R79 IonicContact OD2-NH2 3.63Å; D75-R79 PolarHBondContact OD2-NH2 2.84Å; Y76-R79 PolarHBondContact O-N 2.92Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.93Å; R79-N366 WeakPolarHBondContact O-CB 3.26Å; R79-N366 PolarHBondContact O-ND2 2.89Å; R79-L369 HydrophobicContact CB-CD1 3.63Å; R79-L369 VanDerWaalsContact O-CD1 3.3Å; R79-L369 WeakPolarHBondContact O-CD1 3.41Å
80A96.9Very high90.7Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-74.5-31178.600000112.9Y76 L77 A365 N366 L369Y76-A80 HydrophobicContact CE1-CB 4.34Å; Y76-A80 WeakPolarHBondContact O-CB 3.1Å; Y76-A80 PolarHBondContact O-N 3.38Å; L77-A80 PolarHBondContact O-N 3.18Å; A80-A365 CarbonylContact O-C 3.52Å; A80-A365 WeakPolarHBondContact O-CA 3.41Å; A80-N366 PolarHBondContact O-N 3.14Å; A80-L369 HydrophobicContact CB-CD1 4.3Å
81F96.9Very high90.5Very high5 Ų535.1 Ų35.12%0.02217%0.169CC..EExtended strand (participates in β ladder)trans-129.2140-172.8-56.7-61000113.1L44 L77 L354 M357 Y363 R364 A365L44-F81 WeakPolarHBondContact CB-O 3.49Å; L44-F81 HydrophobicContact CD2-CB 4.04Å; L44-F81 PolarHBondContact N-O 3.19Å; L77-F81 HydrophobicContact CD2-CD2 4.32Å; L77-F81 HydrophobicContact CD2-CE2 3.85Å; L77-F81 WeakPolarHBondContact O-CD2 3.24Å; L77-F81 PolarHBondContact O-N 3.21Å; F81-L354 HydrophobicContact CE1-CG 4.25Å; F81-L354 HydrophobicContact CZ-CD1 4.37Å; F81-L354 HydrophobicContact CZ-CG 4.39Å; F81-M357 HydrophobicContact CD1-CB 4.18Å; F81-M357 HydrophobicContact CE1-CB 3.41Å; F81-M357 VanDerWaalsContact CE1-CB 3.41Å; F81-M357 HydrophobicContact CE1-CG 4.01Å; F81-M357 HydrophobicContact CE2-CG 4.41Å; F81-M357 HydrophobicContact CZ-CB 3.65Å; F81-M357 HydrophobicContact CZ-CG 3.68Å; F81-Y363 HydrophobicContact CB-CD1 4.37Å; F81-Y363 HydrophobicContact CB-CG 4.4Å; F81-R364 WeakPolarHBondContact CA-O 3.28Å; F81-A365 HydrophobicContact CD1-CB 4.13Å; F81-A365 HydrophobicContact CE1-CB 3.99Å
82S95.2Very high90.4Very high35 Ų3532.9 Ų32.925%0.24515%0.154CC..EExtended strand (participates in β ladder)trans-121.7152.5166.853.80000109.5L42 Y363 R364L42-S82 CarbonylContact O-C 3.58Å; L42-S82 VanDerWaalsContact O-CA 3.32Å; L42-S82 WeakPolarHBondContact O-CA 3.46Å; L42-S82 VanDerWaalsContact O-CB 3.3Å; L42-S82 WeakPolarHBondContact O-CB 3.48Å; S82-Y363 CarbonylContact O-C 3.59Å; S82-Y363 WeakPolarHBondContact O-CA 3.42Å; S82-R364 PolarHBondContact N-O 3.29Å; S82-R364 PolarHBondContact O-N 2.69Å; S82-R364 PolarHBondContact OG-O 3.41Å
83L91.9Very high90.2Very high0 Ų029.7 Ų29.70%014%0.141CC..EExtended strand (participates in β ladder)trans-74145.5176.6-64.1-174.7000111.5L42 L44 R86 D160 Y363L42-L83 PolarHBondContact O-N 3.28Å; L44-L83 HydrophobicContact CD1-CD2 3.77Å; L44-L83 HydrophobicContact CD1-CG 4.4Å; L83-R86 HydrophobicContact CD1-CB 4.47Å; L83-D160 HydrophobicContact CD1-CB 3.73Å; L83-D160 VanDerWaalsContact CD1-OD1 3.22Å; L83-D160 WeakPolarHBondContact CD1-OD1 3.46Å; L83-D160 HydrophobicContact CD2-CB 4.45Å; L83-D160 HydrophobicContact CG-CB 4.4Å; L83-Y363 HydrophobicContact CD2-CD1 4.01Å; L83-Y363 HydrophobicContact CD2-CE1 3.99Å
84R87.5Confident90Very high49 Ų4930.9 Ų30.919%0.18515%0.146CC..SBendtrans-74.6-31.6166.4-73173.1178.9-11912112.5D241 E358 G361 W362 Y363 R364R84-D241 IonicContact CZ-OD1 3.32Å; R84-D241 PolarHBondContact NH1-O 2.72Å; R84-D241 IonicContact NH1-OD1 3.04Å; R84-D241 PolarHBondContact NH1-OD1 2.67Å; R84-D241 IonicContact NH2-OD1 2.76Å; R84-D241 PolarHBondContact NH2-OD1 3.37Å; R84-E358 PolarHBondContact NH2-O 3.3Å; R84-G361 WeakPolarHBondContact CD-O 3.21Å; R84-W362 PolarHBondContact N-O 3.31Å; R84-W362 VanDerWaalsContact N-O 3.13Å; R84-Y363 PolarHBondContact NE-O 3.17Å; R84-R364 HydrophobicContact CG-CG 3.9Å
85R81.3Confident89.8Confident114 Ų11431.6 Ų31.643%0.4315%0.149SC..SBendtrans-147.4129.7178.3-174.2170.9177.1-156-15.8110.1E190 L191R85-E190 IonicContact CZ-OE2 3.95Å; R85-E190 IonicContact NE-OE2 3.52Å; R85-E190 IonicContact NH1-OE2 3.39Å; R85-E190 PolarHBondContact NH1-OE2 3.33Å; R85-E190 IonicContact NH2-OE1 3.32Å; R85-E190 IonicContact NH2-OE2 3.56Å; R85-E190 PolarHBondContact NH2-OE2 3.18Å; R85-L191 HydrophobicContact CB-CD1 4.31Å
86R75.2Confident89.5Confident28 Ų2828.1 Ų28.111%0.10613%0.13CC..  trans-83.5138.7170.5-170.7175-90.1160.34.4110E31 D41 L42 L83 D160E31-R86 WeakPolarHBondContact OE2-CD 3.5Å; E31-R86 WeakPolarHBondContact OE2-CG 3.37Å; D41-R86 PolarHBondContact O-NE 2.91Å; D41-R86 PolarHBondContact O-NH1 3.49Å; D41-R86 PolarHBondContact O-NH2 3.27Å; L42-R86 HydrophobicContact CD2-CB 4.4Å; L83-R86 HydrophobicContact CD1-CB 4.47Å; R86-D160 IonicContact NE-OD1 3.45Å
87V69.9Low89.2Confident8 Ų829.9 Ų29.95%0.04815%0.15CC..  trans-116.4153.9169.8-118.30000106.7L28L28-V87 HydrophobicContact CB-CB 3.93Å; L28-V87 HydrophobicContact CB-CG1 3.79Å; L28-V87 HydrophobicContact CD1-CB 3.84Å; L28-V87 HydrophobicContact CD1-CG1 4.41Å; L28-V87 HydrophobicContact CD1-CG2 3.87Å
88G69.7Low88.7Confident5 Ų533.3 Ų33.35%0.05217%0.171CC..SBendtrans-58.1-178.4-17700000113.5K29 V90K29-G88 VanDerWaalsContact O-CA 3.27Å; K29-G88 WeakPolarHBondContact O-CA 3.04Å; K29-G88 PolarHBondContact O-N 2.89Å; G88-V90 PolarHBondContact O-N 3.14Å
89P75.4Confident88.1Confident67 Ų6733.6 Ų33.644%0.43517%0.174SC..SBendtrans-51.6138.7-171.423.1-34.4000112L91P89-L91 PolarHBondContact O-N 2.9Å
90V91Very high87.6Confident1 Ų132.5 Ų32.51%0.00617%0.174CC..BIsolated β-bridgetrans-66.7111.1-178.3173.70000108.8G88 L92 V156 S159 V162 I195G88-V90 PolarHBondContact O-N 3.14Å; V90-L92 HydrophobicContact CG1-CD2 3.5Å; V90-L92 HydrophobicContact CG1-CG 4.05Å; V90-V156 PolarHBondContact N-O 2.9Å; V90-V156 PolarHBondContact O-N 3.13Å; V90-S159 WeakPolarHBondContact CG2-O 3.4Å; V90-V162 HydrophobicContact CB-CG2 4Å; V90-V162 HydrophobicContact CG1-CG2 3.72Å; V90-I195 HydrophobicContact CG1-CB 4.44Å; V90-I195 HydrophobicContact CG1-CD1 4.45Å; V90-I195 HydrophobicContact CG2-CB 4.43Å
91L93.1Very high87.1Confident25 Ų2534.9 Ų34.913%0.13118%0.184CC..  trans-123.7110.5176-174.268.4000107.9P89 Q133 D152 G153P89-L91 PolarHBondContact O-N 2.9Å; L91-Q133 HydrophobicContact CB-CG 4.36Å; L91-Q133 HydrophobicContact CD2-CG 3.7Å; L91-Q133 HydrophobicContact CG-CG 3.53Å; L91-Q133 PolarHBondContact O-NE2 3.01Å; L91-D152 HydrophobicContact CD2-CB 4.12Å; L91-G153 VanDerWaalsContact CD1-O 3.3Å; L91-G153 WeakPolarHBondContact CD1-O 3.42Å
92L95.1Very high86.5Confident0 Ų037.1 Ų37.10%020%0.195CC..BIsolated β-bridgetrans-85.1141.6-165.5-62.3179.5000112.1V90 V127 H131 L132 Q133 Y164 Q186 I195 A196V90-L92 HydrophobicContact CG1-CD2 3.5Å; V90-L92 HydrophobicContact CG1-CG 4.05Å; L92-V127 HydrophobicContact CD1-CG1 4.02Å; L92-H131 PolarHBondContact N-O 2.9Å; L92-L132 HydrophobicContact CB-CD2 4.08Å; L92-L132 CarbonylContact O-C 3.53Å; L92-L132 VanDerWaalsContact O-CA 3.31Å; L92-L132 WeakPolarHBondContact O-CA 3.34Å; L92-Q133 WeakPolarHBondContact O-CG 3.4Å; L92-Q133 PolarHBondContact O-N 2.69Å; L92-Y164 HydrophobicContact CD1-CE2 4.06Å; L92-Y164 WeakPolarHBondContact CD1-OH 3.22Å; L92-Q186 HydrophobicContact CD2-CB 4.26Å; L92-Q186 HydrophobicContact CD2-CG 4.36Å; L92-I195 HydrophobicContact CD2-CD1 4.01Å; L92-I195 HydrophobicContact CD2-CG1 4.28Å; L92-A196 HydrophobicContact CD1-CB 3.92Å; L92-A196 HydrophobicContact CD2-CB 3.7Å; L92-A196 HydrophobicContact CG-CB 4.49Å
93S94.4Very high85.8Confident15 Ų1542.9 Ų42.911%0.10521%0.211CC..PPolyproline II helixtrans-77.2149.8176-65.10000111.2Q133 Q186S93-Q133 PolarHBondContact OG-OE1 3.11Å; S93-Q186 PolarHBondContact O-NE2 2.87Å
94R93.9Very high85.3Confident26 Ų2647.7 Ų47.710%0.09823%0.232CC..PPolyproline II helixtrans-73.7146.1172.7-66.9177.7-177.4-90.6-6.8110.8C116 T120 Q129 L132 Q133R94-C116 HydrophobicContact CB-CB 4.17Å; R94-T120 WeakPolarHBondContact CA-OG1 3.09Å; R94-Q129 VanDerWaalsContact CZ-OE1 3.22Å; R94-L132 HydrophobicContact CG-CB 4.22Å; R94-L132 HydrophobicContact CG-CD1 4.29Å; R94-L132 HydrophobicContact CG-CD2 4.43Å; R94-Q133 WeakPolarHBondContact CD-O 3.39Å; R94-Q133 PolarHBondContact NE-O 3.34Å
95Q92.8Very high84.9Confident22 Ų2257.3 Ų57.310%0.10327%0.268CS..PPolyproline II helixtrans-71.4150.6169.4-78.6168.1-31.300110.7V23 C116 A117 T120 R121V23-Q95 HydrophobicContact CG2-CG 3.64Å; Q95-C116 CarbonylContact O-C 3.55Å; Q95-C116 WeakPolarHBondContact O-CA 3.24Å; Q95-A117 HydrophobicContact CB-CB 4.34Å; Q95-A117 PolarHBondContact O-N 2.99Å; Q95-T120 HydrophobicContact CG-CG2 4.11Å; Q95-T120 PolarHBondContact N-OG1 2.89Å; Q95-T120 VanDerWaalsContact N-OG1 3.13Å; Q95-R121 PolarHBondContact NE2-O 3.27Å
96C91.5Very high84.7Confident3 Ų355.9 Ų55.92%0.0229%0.289CS..BIsolated β-bridgetrans-89.2142.6175.7-55.30000111.4T98 N99 Y101 C112C96-T98 PolarHBondContact O-N 3.3Å; C96-N99 PolarHBondContact O-N 3.49Å; C96-N99 VanDerWaalsContact O-N 3.09Å; C96-Y101 HydrophobicContact CB-CE1 4.23Å; C96-Y101 WeakPolarHBondContact SG-CD1 3.38Å; C96-Y101 WeakPolarHBondContact SG-CE1 3.45Å; C96-C112 WeakPolarHBondContact CA-SG 3.28Å; C96-C112 HydrophobicContact CB-CB 3.59Å; C96-C112 WeakPolarHBondContact CB-SG 3.47Å; C96-C112 WeakPolarHBondContact SG-CA 3.27Å; C96-C112 WeakPolarHBondContact SG-CB 3.32Å; C96-C112 CovalentContact SG-SG 2.03Å; C96-C112 PolarHBondContact SG-SG 2.65Å
97A90.8Very high85.1Confident63 Ų6356.3 Ų56.352%0.52129%0.293SS..THydrogen-bonded Turntrans-59.6-37-178.300000112.2A115A97-A115 HydrophobicContact CB-CB 4.39Å; A97-A115 PolarHBondContact N-O 3.03Å
98T86.9Confident85.6Confident72 Ų7258.6 Ų58.644%0.44231%0.308SS..THydrogen-bonded Turntrans-96.5-0.217957.30000113.6C96 Q100C96-T98 PolarHBondContact O-N 3.3Å; T98-Q100 PolarHBondContact O-N 2.82Å; T98-Q100 VanDerWaalsContact O-N 3.12Å; T98-Q100 PolarHBondContact OG1-N 3.38Å
99N84.1Confident86.4Confident51 Ų5159.9 Ų59.927%0.27331%0.313SS..SBendtrans53.519.5-166.9-74.1-51.5000114.8R20 C96 Y101R20-N99 WeakPolarHBondContact CB-ND2 3.47Å; R20-N99 HydrophobicContact CG-CB 4.33Å; R20-N99 WeakPolarHBondContact CG-ND2 3.35Å; C96-N99 PolarHBondContact O-N 3.49Å; C96-N99 VanDerWaalsContact O-N 3.09Å; N99-Y101 VanDerWaalsContact O-CD2 3.22Å; N99-Y101 WeakPolarHBondContact O-CD2 3.44Å; N99-Y101 VanDerWaalsContact O-CE2 3.29Å; N99-Y101 WeakPolarHBondContact O-CE2 3.49Å
100Q86.1Confident86.8Confident93 Ų9359 Ų5944%0.43530%0.301SS..  trans-98.1128.6174.1-68.2173.8-28.200109.8T98 Q113T98-Q100 PolarHBondContact O-N 2.82Å; T98-Q100 VanDerWaalsContact O-N 3.12Å; T98-Q100 PolarHBondContact OG1-N 3.38Å; Q100-Q113 HydrophobicContact CB-CB 3.83Å; Q100-Q113 PolarHBondContact O-N 2.95Å
101Y85.8Confident86.8Confident51 Ų5159.6 Ų59.620%0.230%0.303CS..EExtended strand (participates in β ladder)trans-123.8137.3-174.3-60.1-99.5000110.3V23 C96 N99 R110 Y111V23-Y101 HydrophobicContact CG1-CE1 4.35Å; C96-Y101 HydrophobicContact CB-CE1 4.23Å; C96-Y101 WeakPolarHBondContact SG-CD1 3.38Å; C96-Y101 WeakPolarHBondContact SG-CE1 3.45Å; N99-Y101 VanDerWaalsContact O-CD2 3.22Å; N99-Y101 WeakPolarHBondContact O-CD2 3.44Å; N99-Y101 VanDerWaalsContact O-CE2 3.29Å; N99-Y101 WeakPolarHBondContact O-CE2 3.49Å; Y101-R110 VanDerWaalsContact CD1-CZ 3.49Å; Y101-R110 VanDerWaalsContact CG-CZ 3.43Å; Y101-Y111 CarbonylContact C-O 3.6Å; Y101-Y111 WeakPolarHBondContact CA-O 3.27Å
102M84.3Confident86.7Confident51 Ų5158.6 Ų58.625%0.25130%0.299SS..EExtended strand (participates in β ladder)trans-118.2156.6178-66.3-170.8157.300110.9Y111 Q113 C138 E140M102-Y111 PolarHBondContact N-O 3.41Å; M102-Y111 PolarHBondContact O-N 3.41Å; M102-Q113 HydrophobicContact CE-CG 4.33Å; M102-C138 HydrophobicContact SD-CB 3.97Å; M102-E140 WeakPolarHBondContact CE-O 3.43Å
103R81.3Confident86.5Confident157 Ų15759.9 Ų59.959%0.59231%0.305SS*.EExtended strand (participates in β ladder)trans-124.4130.6175.8-165.8174.1-178.5179.42110
104K81.3Confident86.2Confident101 Ų10163.3 Ų63.344%0.43932%0.322SS..  trans-92.3134.4174.4-172.9178.9-179.8-177.90109.6G106 D107 Y111 C145K104-G106 PolarHBondContact O-N 3.4Å; K104-D107 HydrophobicContact CB-CB 4.08Å; K104-D107 PolarHBondContact O-N 3.28Å; K104-Y111 HydrophobicContact CB-CD2 4.29Å; K104-Y111 HydrophobicContact CB-CE2 3.91Å; K104-C145 HydrophobicContact CD-CB 4.32Å
105R78.7Confident86Confident250 Ų25064.2 Ų64.294%0.94334%0.335SS*.THydrogen-bonded Turntrans-60.9127178.2-168178.7-172.9-174.82.2110D107R105-D107 VanDerWaalsContact C-N 3.29Å; R105-D107 PolarHBondContact O-N 3.05Å
106G77.9Confident86.1Confident85 Ų8564.1 Ų64.188%0.87634%0.336SS*.THydrogen-bonded Turntrans80.7-1.4179.300000115.4K104K104-G106 PolarHBondContact O-N 3.4Å
107D82.6Confident86.1Confident36 Ų3665.1 Ų65.119%0.19335%0.345CS..  trans-103129169.8-161.6-47.5000109.3K104 R105 H109 Y111K104-D107 HydrophobicContact CB-CB 4.08Å; K104-D107 PolarHBondContact O-N 3.28Å; R105-D107 VanDerWaalsContact C-N 3.29Å; R105-D107 PolarHBondContact O-N 3.05Å; D107-H109 PolarHBondContact O-N 3.07Å; D107-H109 WeakPolarHBondContact OD1-CB 3.43Å; D107-H109 IonicContact OD1-CE1 3.07Å; D107-H109 IonicContact OD1-CG 2.93Å; D107-H109 PolarHBondContact OD1-N 3.46Å; D107-H109 IonicContact OD1-ND1 3.38Å; D107-H109 PolarHBondContact OD1-ND1 3.04Å; D107-Y111 HydrophobicContact CB-CE2 4.33Å; D107-Y111 PolarHBondContact OD2-OH 3.38Å
108P81.5Confident86.1Confident56 Ų5669.4 Ų69.436%0.36436%0.359SS..  trans-75.5-9.9178.432.1-37.1000113.6Y27Y27-P108 HydrophobicContact CD1-CG 4.36Å; Y27-P108 HydrophobicContact CD2-CB 3.46Å; Y27-P108 VanDerWaalsContact CD2-CB 3.46Å; Y27-P108 HydrophobicContact CD2-CG 3.84Å; Y27-P108 HydrophobicContact CE1-CG 4.23Å; Y27-P108 HydrophobicContact CE2-CB 3.61Å; Y27-P108 HydrophobicContact CE2-CG 3.69Å; Y27-P108 HydrophobicContact CG-CB 4.03Å; Y27-P108 HydrophobicContact CG-CG 4.14Å
109H85.5Confident86.4Confident33 Ų3368.9 Ų68.915%0.15336%0.356CS..SBendtrans-90.6154.1-178.2-5481000112.9Y27 D107 K136Y27-H109 AromaticContact CD1-CD2 3.81Å; Y27-H109 AromaticContact CD1-CE1 3.56Å; Y27-H109 AromaticContact CD1-NE2 3.29Å; Y27-H109 VanDerWaalsContact CD1-NE2 3.29Å; Y27-H109 WeakPolarHBondContact CD1-NE2 3Å; Y27-H109 AromaticContact CE1-CE1 3.85Å; Y27-H109 AromaticContact CE1-NE2 3.89Å; D107-H109 PolarHBondContact O-N 3.07Å; D107-H109 WeakPolarHBondContact OD1-CB 3.43Å; D107-H109 IonicContact OD1-CE1 3.07Å; D107-H109 IonicContact OD1-CG 2.93Å; D107-H109 PolarHBondContact OD1-N 3.46Å; D107-H109 IonicContact OD1-ND1 3.38Å; D107-H109 PolarHBondContact OD1-ND1 3.04Å; H109-K136 HydrophobicContact CB-CD 3.72Å; H109-K136 PolarHBondContact CD2-NZ 2.94Å; H109-K136 PolarHBondContact CE1-NZ 2.86Å; H109-K136 PolarHBondContact ND1-NZ 2.9Å; H109-K136 PolarHBondContact NE2-NZ 2.89Å; H109-K136 VanDerWaalsContact NE2-NZ 3.14Å
110R85.3Confident86.9Confident49 Ų4966.5 Ų66.519%0.18534%0.343CS..EExtended strand (participates in β ladder)trans-86.5148.9167.5-71.6178.172.6-167.415110.9H24 Y101H24-R110 WeakPolarHBondContact O-CD 3.41Å; H24-R110 PolarHBondContact O-NH1 3.22Å; Y101-R110 VanDerWaalsContact CD1-CZ 3.49Å; Y101-R110 VanDerWaalsContact CG-CZ 3.43Å
111Y90.3Very high87.4Confident12 Ų1267.7 Ų67.75%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-117.1140.7176.8-71.9-102.2000109.4Y101 M102 K104 D107 K136 V137 C138 C145Y101-Y111 CarbonylContact C-O 3.6Å; Y101-Y111 WeakPolarHBondContact CA-O 3.27Å; M102-Y111 PolarHBondContact N-O 3.41Å; M102-Y111 PolarHBondContact O-N 3.41Å; K104-Y111 HydrophobicContact CB-CD2 4.29Å; K104-Y111 HydrophobicContact CB-CE2 3.91Å; D107-Y111 HydrophobicContact CB-CE2 4.33Å; D107-Y111 PolarHBondContact OD2-OH 3.38Å; Y111-K136 CarbonylContact C-O 3.56Å; Y111-K136 WeakPolarHBondContact CA-O 3.34Å; Y111-K136 HydrophobicContact CD1-CB 3.64Å; Y111-K136 HydrophobicContact CE1-CB 3.79Å; Y111-K136 HydrophobicContact CE1-CD 4.41Å; Y111-K136 HydrophobicContact CE1-CG 4.5Å; Y111-K136 HydrophobicContact CG-CB 4.15Å; Y111-V137 WeakPolarHBondContact CD1-O 3.34Å; Y111-C138 WeakPolarHBondContact CB-SG 3.41Å; Y111-C138 WeakPolarHBondContact CD1-SG 3.36Å; Y111-C145 HydrophobicContact CD1-CB 3.96Å; Y111-C145 HydrophobicContact CE1-CB 3.77Å
112C91.2Very high87.9Confident5 Ų565.2 Ų65.23%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-76.9140.6167.7-66.80000110.5C96 D114 A115 C116 K136 V137 C138C96-C112 WeakPolarHBondContact CA-SG 3.28Å; C96-C112 HydrophobicContact CB-CB 3.59Å; C96-C112 WeakPolarHBondContact CB-SG 3.47Å; C96-C112 WeakPolarHBondContact SG-CA 3.27Å; C96-C112 WeakPolarHBondContact SG-CB 3.32Å; C96-C112 CovalentContact SG-SG 2.03Å; C96-C112 PolarHBondContact SG-SG 2.65Å; C112-D114 PolarHBondContact O-N 3.1Å; C112-A115 WeakPolarHBondContact CB-O 3.24Å; C112-C116 VanDerWaalsContact SG-SG 3.67Å; C112-K136 PolarHBondContact N-O 2.87Å; C112-V137 HydrophobicContact CB-CG1 4.43Å; C112-V137 CarbonylContact O-C 3.59Å; C112-V137 WeakPolarHBondContact O-CA 3.33Å; C112-C138 PolarHBondContact O-N 2.83Å
113Q90.1Very high88.3Confident27 Ų2763.9 Ų63.913%0.12633%0.333CS..EExtended strand (participates in β ladder)trans-69.1119.6165.4-173.4171.2-20.400108.5Q100 M102 A115Q100-Q113 HydrophobicContact CB-CB 3.83Å; Q100-Q113 PolarHBondContact O-N 2.95Å; M102-Q113 HydrophobicContact CE-CG 4.33Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 3.44Å
114D87.4Confident88.9Confident87 Ų8757.9 Ų57.947%0.46531%0.314SS..SBendtrans65.1-57.4179.4-51.7-44.2000116.3C112 C138 E140C112-D114 PolarHBondContact O-N 3.1Å; D114-C138 PolarHBondContact N-O 3.12Å; D114-E140 PolarHBondContact OD1-N 3.33Å
115A91.6Very high89.6Confident45 Ų4553.3 Ų53.337%0.37230%0.295SS..  trans-146.9146.4-175.200000114.3A97 C112 Q113A97-A115 HydrophobicContact CB-CB 4.39Å; A97-A115 PolarHBondContact N-O 3.03Å; C112-A115 WeakPolarHBondContact CB-O 3.24Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 3.44Å
116C93.1Very high90.5Very high19 Ų1944.4 Ų44.413%0.12827%0.268CS..BIsolated β-bridgetrans-74.4153.8162.2-60.20000110.5R94 Q95 C112 C135R94-C116 HydrophobicContact CB-CB 4.17Å; Q95-C116 CarbonylContact O-C 3.55Å; Q95-C116 WeakPolarHBondContact O-CA 3.24Å; C112-C116 VanDerWaalsContact SG-SG 3.67Å; C116-C135 HydrophobicContact CB-CB 3.9Å; C116-C135 WeakPolarHBondContact CB-SG 3.49Å; C116-C135 VanDerWaalsContact SG-CA 3.53Å; C116-C135 WeakPolarHBondContact SG-CB 3.33Å; C116-C135 CovalentContact SG-SG 2.02Å; C116-C135 PolarHBondContact SG-SG 2.93Å
117A92.4Very high91.4Very high24 Ų2440.4 Ų40.420%0.19823%0.227CC..  trans-66.2143.6168.800000110.8Q95 V119Q95-A117 HydrophobicContact CB-CB 4.34Å; Q95-A117 PolarHBondContact O-N 2.99Å; A117-V119 PolarHBondContact O-N 3.3Å
118D91.1Very high92.1Very high153 Ų15340.3 Ų40.382%0.81823%0.228SC*.SBendtrans-59.2-34.8177.9-62.9-34.7000111.9
119V93.2Very high92.7Very high62 Ų6242.2 Ų42.238%0.37623%0.232SC..SBendtrans-126.2122-178.7-1750000109.5A117 R121 V126A117-V119 PolarHBondContact O-N 3.3Å; V119-R121 HydrophobicContact CG1-CG 4.09Å; V119-V126 HydrophobicContact CG1-CB 4.3Å; V119-V126 HydrophobicContact CG1-CG1 3.64Å; V119-V126 HydrophobicContact CG1-CG2 3.82Å
120T94.8Very high93.1Very high0 Ų045.4 Ų45.40%025%0.247CC..  trans-92.3130.6168.8-63.70000109.5R94 Q95 V127 L132R94-T120 WeakPolarHBondContact CA-OG1 3.09Å; Q95-T120 HydrophobicContact CG-CG2 4.11Å; Q95-T120 PolarHBondContact N-OG1 2.89Å; Q95-T120 VanDerWaalsContact N-OG1 3.13Å; T120-V127 HydrophobicContact CG2-CB 4.33Å; T120-V127 HydrophobicContact CG2-CG2 4.23Å; T120-V127 PolarHBondContact O-N 2.91Å; T120-L132 HydrophobicContact CG2-CD2 3.82Å
121R95.4Very high93.6Very high118 Ų11843.5 Ų43.545%0.44524%0.24SC..EExtended strand (participates in β ladder)trans-118.1149.3-177.8-67.2-178.7170.8-85.3-0111.9Q95 V119 P124 V125Q95-R121 PolarHBondContact NE2-O 3.27Å; V119-R121 HydrophobicContact CG1-CG 4.09Å; R121-P124 PolarHBondContact NH1-O 3.08Å; R121-V125 WeakPolarHBondContact CA-O 3.17Å
122C96.3Very high93.8Very high0 Ų042.9 Ų42.90%024%0.238CC..EExtended strand (participates in β ladder)trans-123.195.8166.8-172.80000107.2V125 V127 Y164 C185 Y198C122-V125 PolarHBondContact N-O 3.19Å; C122-V125 PolarHBondContact O-N 3.42Å; C122-V127 HydrophobicContact CB-CG2 3.89Å; C122-Y164 HydrophobicContact CB-CD2 3.82Å; C122-Y164 HydrophobicContact CB-CE2 4.24Å; C122-Y164 HydrophobicContact CB-CG 4.47Å; C122-C185 HydrophobicContact CB-CB 3.86Å; C122-C185 WeakPolarHBondContact CB-SG 3.19Å; C122-C185 WeakPolarHBondContact SG-CB 3Å; C122-C185 CovalentContact SG-SG 2.03Å; C122-C185 PolarHBondContact SG-SG 3.13Å; C122-Y198 WeakPolarHBondContact O-CB 3.36Å
123G93.9Very high93.9Very high23 Ų2343.2 Ų43.224%0.23724%0.238CC..THydrogen-bonded Turntrans59.8-131-167.900000111.7V125 Y198G123-V125 PolarHBondContact O-N 2.9Å; G123-Y198 VanDerWaalsContact CA-CD1 3.41Å; G123-Y198 VanDerWaalsContact N-CD1 3.32Å
124P93.4Very high94.1Very high30 Ų3044.4 Ų44.420%0.19524%0.244CC..THydrogen-bonded Turntrans-74.3-15.1-179.532.4-34.5000113.2R121 S166 I168 T170 N200R121-P124 PolarHBondContact NH1-O 3.08Å; P124-S166 WeakPolarHBondContact CG-OG 3.26Å; P124-I168 HydrophobicContact CB-CD1 4.06Å; P124-T170 HydrophobicContact CB-CG2 4.27Å; P124-N200 HydrophobicContact CG-CB 4.3Å
125V96.6Very high94.3Very high5 Ų540.9 Ų40.93%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-90.6138.9-172.1-175.20000111.5D51 R121 C122 G123 Y164D51-V125 HydrophobicContact CB-CG1 4.12Å; D51-V125 HydrophobicContact CB-CG2 4.09Å; R121-V125 WeakPolarHBondContact CA-O 3.17Å; C122-V125 PolarHBondContact N-O 3.19Å; C122-V125 PolarHBondContact O-N 3.42Å; G123-V125 PolarHBondContact O-N 2.9Å; V125-Y164 HydrophobicContact CG1-CD1 4.01Å; V125-Y164 HydrophobicContact CG1-CG 4.31Å
126V96.9Very high94.3Very high64 Ų6440.5 Ų40.539%0.38822%0.216SC..EExtended strand (participates in β ladder)trans-80.4126.2170.1175.10000109.2V119 P128V119-V126 HydrophobicContact CG1-CB 4.3Å; V119-V126 HydrophobicContact CG1-CG1 3.64Å; V119-V126 HydrophobicContact CG1-CG2 3.82Å; V126-P128 WeakPolarHBondContact O-CD 3.31Å
127V97.1Very high94.3Very high1 Ų141 Ų411%0.00622%0.218CC..PPolyproline II helixtrans-73125.8178.2178.50000109.5L92 T120 C122 H131 L132 Y164L92-V127 HydrophobicContact CD1-CG1 4.02Å; T120-V127 HydrophobicContact CG2-CB 4.33Å; T120-V127 HydrophobicContact CG2-CG2 4.23Å; T120-V127 PolarHBondContact O-N 2.91Å; C122-V127 HydrophobicContact CB-CG2 3.89Å; V127-H131 HydrophobicContact CG1-CB 4Å; V127-L132 HydrophobicContact CB-CD2 4.24Å; V127-L132 HydrophobicContact CG1-CD1 4.39Å; V127-L132 HydrophobicContact CG1-CD2 3.61Å; V127-L132 HydrophobicContact CG1-CG 3.87Å; V127-Y164 WeakPolarHBondContact CG1-OH 3.39Å; V127-Y164 HydrophobicContact CG2-CE2 4.33Å
128P96.1Very high94.2Very high34 Ų3440 Ų4022%0.22121%0.21CC..PPolyproline II helixtrans-57.4140177.4-25.834.4000112.8V126 H130 H131V126-P128 WeakPolarHBondContact O-CD 3.31Å; P128-H130 VanDerWaalsContact CB-CE1 3.4Å; P128-H130 WeakPolarHBondContact CB-CE1 3.22Å; P128-H130 PolarHBondContact O-N 3.35Å; P128-H130 VanDerWaalsContact O-N 3.14Å; P128-H131 WeakPolarHBondContact O-CB 3.48Å; P128-H131 PolarHBondContact O-N 3.03Å
129Q94.6Very high94Very high95 Ų9534.5 Ų34.544%0.44418%0.183SC..G310 helixtrans-58.1-32.6-177.4-67.5-66.3-2900113.2R94 H131 L132R94-Q129 VanDerWaalsContact CZ-OE1 3.22Å; Q129-H131 PolarHBondContact O-N 3.39Å; Q129-L132 PolarHBondContact O-N 3.35Å
130H94.4Very high93.4Very high101 Ų10138.2 Ų38.247%0.46820%0.197SC..G310 helixtrans-74-9.4178.563.5-90.7000113.8P128 G153 P154 G155P128-H130 VanDerWaalsContact CB-CE1 3.4Å; P128-H130 WeakPolarHBondContact CB-CE1 3.22Å; P128-H130 PolarHBondContact O-N 3.35Å; P128-H130 VanDerWaalsContact O-N 3.14Å; H130-G153 CarbonylContact O-C 3.51Å; H130-G153 WeakPolarHBondContact O-CA 3.13Å; H130-P154 HydrophobicContact CB-CG 4.04Å; H130-P154 VanDerWaalsContact O-CD 3.22Å; H130-P154 WeakPolarHBondContact O-CD 3.17Å; H130-G155 PolarHBondContact O-N 2.86Å
131H95.6Very high92.6Very high8 Ų842 Ų424%0.03722%0.223CC..G310 helixtrans-90.5-8.5171.3-61.9178000113L92 V127 P128 Q129 V156 Y164L92-H131 PolarHBondContact N-O 2.9Å; V127-H131 HydrophobicContact CG1-CB 4Å; P128-H131 WeakPolarHBondContact O-CB 3.48Å; P128-H131 PolarHBondContact O-N 3.03Å; Q129-H131 PolarHBondContact O-N 3.39Å; H131-V156 HydrophobicContact CB-CG2 4.31Å; H131-Y164 AromaticContact ND1-CE1 3.83Å; H131-Y164 AromaticContact ND1-CZ 3.78Å; H131-Y164 PolarHBondContact ND1-OH 3.04Å
132L95Very high91.8Very high0 Ų038.1 Ų38.10%022%0.22CC..BIsolated β-bridgetrans-100.4144.5-169.4-65.1170.9000112.5L92 R94 T120 V127 Q129 G153L92-L132 HydrophobicContact CB-CD2 4.08Å; L92-L132 CarbonylContact O-C 3.53Å; L92-L132 VanDerWaalsContact O-CA 3.31Å; L92-L132 WeakPolarHBondContact O-CA 3.34Å; R94-L132 HydrophobicContact CG-CB 4.22Å; R94-L132 HydrophobicContact CG-CD1 4.29Å; R94-L132 HydrophobicContact CG-CD2 4.43Å; T120-L132 HydrophobicContact CG2-CD2 3.82Å; V127-L132 HydrophobicContact CB-CD2 4.24Å; V127-L132 HydrophobicContact CG1-CD1 4.39Å; V127-L132 HydrophobicContact CG1-CD2 3.61Å; V127-L132 HydrophobicContact CG1-CG 3.87Å; Q129-L132 PolarHBondContact O-N 3.35Å; L132-G153 PolarHBondContact O-N 3.49Å
133Q93.4Very high91Very high11 Ų1147 Ų475%0.05126%0.259CS..PPolyproline II helixtrans-64156165.1-62.6178.4100110.5Y27 L91 L92 S93 R94 D152Y27-Q133 PolarHBondContact O-NE2 2.04Å; L91-Q133 HydrophobicContact CB-CG 4.36Å; L91-Q133 HydrophobicContact CD2-CG 3.7Å; L91-Q133 HydrophobicContact CG-CG 3.53Å; L91-Q133 PolarHBondContact O-NE2 3.01Å; L92-Q133 WeakPolarHBondContact O-CG 3.4Å; L92-Q133 PolarHBondContact O-N 2.69Å; S93-Q133 PolarHBondContact OG-OE1 3.11Å; R94-Q133 WeakPolarHBondContact CD-O 3.39Å; R94-Q133 PolarHBondContact NE-O 3.34Å; Q133-D152 WeakPolarHBondContact CA-OD1 3.44Å
134Q93.4Very high90.7Very high52 Ų5250.1 Ų50.124%0.24328%0.276CS..PPolyproline II helixtrans-56.2140.1165.5-179.9163.645.900109.3K136 P147 A148 G149 P150 D152Q134-K136 PolarHBondContact O-N 3.45Å; Q134-P147 VanDerWaalsContact CD-CB 3.44Å; Q134-P147 HydrophobicContact CG-CB 3.96Å; Q134-P147 VanDerWaalsContact OE1-CB 3.29Å; Q134-A148 WeakPolarHBondContact CG-O 3.1Å; Q134-G149 PolarHBondContact NE2-O 2.64Å; Q134-P150 WeakPolarHBondContact CB-O 3.31Å; Q134-P150 WeakPolarHBondContact CG-O 3.31Å; Q134-D152 WeakPolarHBondContact CB-OD1 3.22Å; Q134-D152 PolarHBondContact N-OD1 3.39Å
135C92.3Very high90.5Very high13 Ų1350.1 Ų50.19%0.08828%0.277CS..EExtended strand (participates in β ladder)trans-62.5136.5176.7176.50000109.6C116 V137 P147 A148C116-C135 HydrophobicContact CB-CB 3.9Å; C116-C135 WeakPolarHBondContact CB-SG 3.49Å; C116-C135 VanDerWaalsContact SG-CA 3.53Å; C116-C135 WeakPolarHBondContact SG-CB 3.33Å; C116-C135 CovalentContact SG-SG 2.02Å; C116-C135 PolarHBondContact SG-SG 2.93Å; C135-V137 WeakPolarHBondContact SG-CG1 3.36Å; C135-P147 CarbonylContact O-C 3.48Å; C135-P147 VanDerWaalsContact O-CA 3.3Å; C135-P147 WeakPolarHBondContact O-CA 3.38Å; C135-A148 HydrophobicContact CB-CB 4.37Å; C135-A148 VanDerWaalsContact CB-O 3.31Å; C135-A148 WeakPolarHBondContact CB-O 3.26Å; C135-A148 PolarHBondContact N-O 3.46Å; C135-A148 PolarHBondContact O-N 2.87Å
136K91.8Very high90.2Very high37 Ų3750.9 Ų50.916%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-120.8121174.4-63.3-168.3-176.7-163.20108.2H109 Y111 C112 Q134H109-K136 HydrophobicContact CB-CD 3.72Å; H109-K136 PolarHBondContact CD2-NZ 2.94Å; H109-K136 PolarHBondContact CE1-NZ 2.86Å; H109-K136 PolarHBondContact ND1-NZ 2.9Å; H109-K136 PolarHBondContact NE2-NZ 2.89Å; H109-K136 VanDerWaalsContact NE2-NZ 3.14Å; Y111-K136 CarbonylContact C-O 3.56Å; Y111-K136 WeakPolarHBondContact CA-O 3.34Å; Y111-K136 HydrophobicContact CD1-CB 3.64Å; Y111-K136 HydrophobicContact CE1-CB 3.79Å; Y111-K136 HydrophobicContact CE1-CD 4.41Å; Y111-K136 HydrophobicContact CE1-CG 4.5Å; Y111-K136 HydrophobicContact CG-CB 4.15Å; C112-K136 PolarHBondContact N-O 2.87Å; Q134-K136 PolarHBondContact O-N 3.45Å
137V92.5Very high89.9Confident30 Ų3052 Ų5218%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-123.1144.9-175.8-62.10000111Y111 C112 C135 C145 G146 A148Y111-V137 WeakPolarHBondContact CD1-O 3.34Å; C112-V137 HydrophobicContact CB-CG1 4.43Å; C112-V137 CarbonylContact O-C 3.59Å; C112-V137 WeakPolarHBondContact O-CA 3.33Å; C135-V137 WeakPolarHBondContact SG-CG1 3.36Å; V137-C145 CarbonylContact O-C 3.56Å; V137-C145 VanDerWaalsContact O-CA 3.25Å; V137-C145 WeakPolarHBondContact O-CA 3.36Å; V137-G146 PolarHBondContact N-O 2.94Å; V137-G146 PolarHBondContact O-N 2.86Å; V137-A148 HydrophobicContact CG1-CB 4.41Å; V137-A148 HydrophobicContact CG2-CB 3.97Å
138C90.7Very high89.6Confident3 Ų353.6 Ų53.62%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-119.8141.1166.8-72.30000108.7M102 Y111 C112 D114 S144 C145M102-C138 HydrophobicContact SD-CB 3.97Å; Y111-C138 WeakPolarHBondContact CB-SG 3.41Å; Y111-C138 WeakPolarHBondContact CD1-SG 3.36Å; C112-C138 PolarHBondContact O-N 2.83Å; D114-C138 PolarHBondContact N-O 3.12Å; C138-S144 CarbonylContact C-O 3.54Å; C138-S144 VanDerWaalsContact CA-O 3.24Å; C138-S144 WeakPolarHBondContact CA-O 3.49Å; C138-C145 HydrophobicContact CB-CB 4.14Å; C138-C145 WeakPolarHBondContact CB-SG 3.04Å; C138-C145 WeakPolarHBondContact SG-CB 3.41Å; C138-C145 CovalentContact SG-SG 2.03Å; C138-C145 PolarHBondContact SG-SG 3.06Å
139S86.8Confident89.2Confident37 Ų3754.8 Ų54.826%0.25933%0.327SS..  trans-55.3151.6165.862.90000110.4S141 G142 K143 S144S139-S141 PolarHBondContact O-N 2.98Å; S139-S141 PolarHBondContact OG-OG 3.34Å; S139-G142 WeakPolarHBondContact O-CA 3.23Å; S139-G142 PolarHBondContact O-N 3.08Å; S139-K143 PolarHBondContact OG-N 2.82Å; S139-S144 PolarHBondContact N-O 3.31Å; S139-S144 PolarHBondContact OG-N 3.25Å
140E80.4Confident88.9Confident140 Ų14054 Ų5465%0.65433%0.329SS*.THydrogen-bonded Turntrans-43.5-38171.6-179.1171.8-14900114.7M102 D114 G142M102-E140 WeakPolarHBondContact CE-O 3.43Å; D114-E140 PolarHBondContact OD1-N 3.33Å; E140-G142 PolarHBondContact O-N 2.77Å
141S78.7Confident88.8Confident79 Ų7953.9 Ų53.955%0.55234%0.338SS*.THydrogen-bonded Turntrans-74.2-6177.571.30000115.4S139 K143S139-S141 PolarHBondContact O-N 2.98Å; S139-S141 PolarHBondContact OG-OG 3.34Å; S141-K143 PolarHBondContact O-N 3.02Å; S141-K143 VanDerWaalsContact O-N 3.17Å; S141-K143 PolarHBondContact OG-N 2.95Å
142G77.7Confident88.7Confident37 Ų3756.9 Ų56.938%0.38135%0.354SS..SBendtrans67.53.2-173.300000115.4S139 E140S139-G142 WeakPolarHBondContact O-CA 3.23Å; S139-G142 PolarHBondContact O-N 3.08Å; E140-G142 PolarHBondContact O-N 2.77Å
143K80.5Confident88.5Confident188 Ų18857.6 Ų57.682%0.81736%0.362SS*.SBendtrans-80.9-33.5-173.1-66.7-178.3-178.21780114S139 S141S139-K143 PolarHBondContact OG-N 2.82Å; S141-K143 PolarHBondContact O-N 3.02Å; S141-K143 VanDerWaalsContact O-N 3.17Å; S141-K143 PolarHBondContact OG-N 2.95Å
144S86.4Confident88.4Confident87 Ų8761.4 Ų61.461%0.60839%0.387SS*.  trans-115.4115.6177.7-174.70000109.5C138 S139C138-S144 CarbonylContact C-O 3.54Å; C138-S144 VanDerWaalsContact CA-O 3.24Å; C138-S144 WeakPolarHBondContact CA-O 3.49Å; S139-S144 PolarHBondContact N-O 3.31Å; S139-S144 PolarHBondContact OG-N 3.25Å
145C90.3Very high88.3Confident30 Ų3059.3 Ų59.320%0.20338%0.379CS..EExtended strand (participates in β ladder)trans-133130-179.1-630000110K104 Y111 V137 C138K104-C145 HydrophobicContact CD-CB 4.32Å; Y111-C145 HydrophobicContact CD1-CB 3.96Å; Y111-C145 HydrophobicContact CE1-CB 3.77Å; V137-C145 CarbonylContact O-C 3.56Å; V137-C145 VanDerWaalsContact O-CA 3.25Å; V137-C145 WeakPolarHBondContact O-CA 3.36Å; C138-C145 HydrophobicContact CB-CB 4.14Å; C138-C145 WeakPolarHBondContact CB-SG 3.04Å; C138-C145 WeakPolarHBondContact SG-CB 3.41Å; C138-C145 CovalentContact SG-SG 2.03Å; C138-C145 PolarHBondContact SG-SG 3.06Å
146G89.6Confident88.3Confident22 Ų2259.1 Ų59.123%0.22738%0.378CS..EExtended strand (participates in β ladder)trans-163.7170.6-177.700000113.9V137V137-G146 PolarHBondContact N-O 2.94Å; V137-G146 PolarHBondContact O-N 2.86Å
147P91.7Very high88.1Confident88 Ų8864.5 Ų64.557%0.57140%0.404SS*.EExtended strand (participates in β ladder)trans-68.1148.1169.329.3-32.5000111Q134 C135Q134-P147 VanDerWaalsContact CD-CB 3.44Å; Q134-P147 HydrophobicContact CG-CB 3.96Å; Q134-P147 VanDerWaalsContact OE1-CB 3.29Å; C135-P147 CarbonylContact O-C 3.48Å; C135-P147 VanDerWaalsContact O-CA 3.3Å; C135-P147 WeakPolarHBondContact O-CA 3.38Å
148A90.4Very high87.7Confident34 Ų3465.8 Ų65.828%0.28142%0.423SS..EExtended strand (participates in β ladder)trans-136.8149.6174.600000110.3Q134 C135 V137Q134-A148 WeakPolarHBondContact CG-O 3.1Å; C135-A148 HydrophobicContact CB-CB 4.37Å; C135-A148 VanDerWaalsContact CB-O 3.31Å; C135-A148 WeakPolarHBondContact CB-O 3.26Å; C135-A148 PolarHBondContact N-O 3.46Å; C135-A148 PolarHBondContact O-N 2.87Å; V137-A148 HydrophobicContact CG1-CB 4.41Å; V137-A148 HydrophobicContact CG2-CB 3.97Å
149G87.6Confident87.7Confident59 Ų5965.8 Ų65.861%0.60842%0.423SS*.SBendtrans69.2-161.5177.200000114.3Q134Q134-G149 PolarHBondContact NE2-O 2.64Å
150P87.8Confident88Confident78 Ų7864.2 Ų64.251%0.50641%0.412SS..SBendtrans-64152.3-173.527-34.5000112.1Q134Q134-P150 WeakPolarHBondContact CB-O 3.31Å; Q134-P150 WeakPolarHBondContact CG-O 3.31Å
151P93.3Very high88.7Confident99 Ų9957.6 Ų57.664%0.64338%0.381SS*.PPolyproline II helixtrans-62.6170.8178.129.2-36.1000112.1G153P151-G153 PolarHBondContact O-N 3.25Å
152D91.7Very high89.6Confident70 Ų7053.8 Ų53.837%0.37436%0.355SS..PPolyproline II helixtrans-49.1133.7174.2-70.6-16.9000110.9L91 Q133 Q134L91-D152 HydrophobicContact CD2-CB 4.12Å; Q133-D152 WeakPolarHBondContact CA-OD1 3.44Å; Q134-D152 WeakPolarHBondContact CB-OD1 3.22Å; Q134-D152 PolarHBondContact N-OD1 3.39Å
153G92.3Very high90.6Very high16 Ų1652 Ų5217%0.16534%0.337CS..PPolyproline II helixtrans-67.9168.5165.300000111.9L91 H130 L132 P151 G155L91-G153 VanDerWaalsContact CD1-O 3.3Å; L91-G153 WeakPolarHBondContact CD1-O 3.42Å; H130-G153 CarbonylContact O-C 3.51Å; H130-G153 WeakPolarHBondContact O-CA 3.13Å; L132-G153 PolarHBondContact O-N 3.49Å; P151-G153 PolarHBondContact O-N 3.25Å; G153-G155 PolarHBondContact O-N 2.8Å
154P90.9Very high91.5Very high90 Ų9043.1 Ų43.158%0.58430%0.298SS*.  trans-61-20.517425.5-36.1000113.7H130H130-P154 HydrophobicContact CB-CG 4.04Å; H130-P154 VanDerWaalsContact O-CD 3.22Å; H130-P154 WeakPolarHBondContact O-CD 3.17Å
155G91.3Very high92.1Very high8 Ų839 Ų398%0.08227%0.269CS..  trans76-167.2-173.300000111.9H130 G153H130-G155 PolarHBondContact O-N 2.86Å; G153-G155 PolarHBondContact O-N 2.8Å
156V92.6Very high92.4Very high9 Ų937.6 Ų37.66%0.05526%0.259CS..BIsolated β-bridgetrans-106.9100.8175.9-170.70000108.9K47 V90 H131 S159 V162K47-V156 HydrophobicContact CB-CG1 3.92Å; K47-V156 HydrophobicContact CG-CG1 3.79Å; V90-V156 PolarHBondContact N-O 2.9Å; V90-V156 PolarHBondContact O-N 3.13Å; H131-V156 HydrophobicContact CB-CG2 4.31Å; V156-S159 WeakPolarHBondContact CB-OG 3.23Å; V156-S159 WeakPolarHBondContact CG1-OG 3.26Å; V156-S159 PolarHBondContact O-OG 3.28Å; V156-V162 HydrophobicContact CB-CG2 3.77Å; V156-V162 HydrophobicContact CG1-CG2 3.99Å; V156-V162 HydrophobicContact CG2-CG1 4.28Å; V156-V162 HydrophobicContact CG2-CG2 3.75Å
157E86.9Confident92.7Very high150 Ų15036.9 Ų36.970%0.70125%0.252SS*.THydrogen-bonded Turntrans-68.2145.4-178.7-67.2-171.1169.200112.4S159E157-S159 PolarHBondContact O-N 2.88Å; E157-S159 VanDerWaalsContact O-N 3.14Å
158G84.7Confident92.8Very high58 Ų5835.1 Ų35.160%0.59824%0.237SC*.THydrogen-bonded Turntrans64.915.2175.600000114.8K45K45-G158 WeakPolarHBondContact CB-O 3.46Å; K45-G158 WeakPolarHBondContact CD-O 3.03Å
159S90.4Very high92.8Very high3 Ų338.5 Ų38.52%0.02126%0.255CS..  trans-111.1142.9176.473.60000111.4V90 V156 E157V90-S159 WeakPolarHBondContact CG2-O 3.4Å; V156-S159 WeakPolarHBondContact CB-OG 3.23Å; V156-S159 WeakPolarHBondContact CG1-OG 3.26Å; V156-S159 PolarHBondContact O-OG 3.28Å; E157-S159 PolarHBondContact O-N 2.88Å; E157-S159 VanDerWaalsContact O-N 3.14Å
160D92.9Very high92.9Very high4 Ų437.2 Ų37.22%0.02124%0.235CC..SBendtrans-102.2-23.4170.9-61.1-55.1000111.5L44 K45 L83 R86 R193L44-D160 HydrophobicContact CD1-CB 3.94Å; K45-D160 WeakPolarHBondContact CB-OD2 3.02Å; K45-D160 PolarHBondContact N-OD2 2.76Å; K45-D160 PolarHBondContact O-N 2.98Å; L83-D160 HydrophobicContact CD1-CB 3.73Å; L83-D160 VanDerWaalsContact CD1-OD1 3.22Å; L83-D160 WeakPolarHBondContact CD1-OD1 3.46Å; L83-D160 HydrophobicContact CD2-CB 4.45Å; L83-D160 HydrophobicContact CG-CB 4.4Å; R86-D160 IonicContact NE-OD1 3.45Å; D160-R193 PolarHBondContact O-NH1 3.46Å; D160-R193 PolarHBondContact O-NH2 3.26Å; D160-R193 VanDerWaalsContact O-NH2 3.14Å
161F95.9Very high92.7Very high0 Ų041.8 Ų41.80%025%0.25CC..EExtended strand (participates in β ladder)trans-144.6135.7175.3-176.6-91.3000109.9K45 I46 K47 L163 P194 I195 A227 L228K45-F161 PolarHBondContact O-N 3.48Å; I46-F161 WeakPolarHBondContact CA-O 3.28Å; I46-F161 HydrophobicContact CG1-CB 4.24Å; I46-F161 HydrophobicContact CG1-CD1 4.36Å; I46-F161 HydrophobicContact CG2-CD1 3.96Å; K47-F161 PolarHBondContact N-O 2.82Å; F161-L163 HydrophobicContact CD1-CB 4.28Å; F161-L163 HydrophobicContact CE1-CB 3.95Å; F161-L163 HydrophobicContact CE1-CD1 4Å; F161-P194 HydrophobicContact CD2-CB 4.26Å; F161-P194 WeakPolarHBondContact CD2-O 3.39Å; F161-P194 HydrophobicContact CE2-CB 3.8Å; F161-I195 CarbonylContact C-O 3.48Å; F161-I195 WeakPolarHBondContact CA-O 3.29Å; F161-A227 HydrophobicContact CZ-CB 4.17Å; F161-L228 HydrophobicContact CB-CD2 4.47Å; F161-L228 HydrophobicContact CD1-CD2 4.01Å; F161-L228 HydrophobicContact CD2-CD2 3.88Å; F161-L228 HydrophobicContact CE1-CD2 4.15Å; F161-L228 HydrophobicContact CE2-CD2 4.02Å; F161-L228 HydrophobicContact CG-CD2 3.87Å; F161-L228 HydrophobicContact CZ-CD2 4.14Å
162V97.8Very high92.2Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-107.7118.9177.1-173.80000109.5I49 V90 V156 Y164 I195 A196 G197I49-V162 HydrophobicContact CG1-CG1 3.68Å; V90-V162 HydrophobicContact CB-CG2 4Å; V90-V162 HydrophobicContact CG1-CG2 3.72Å; V156-V162 HydrophobicContact CB-CG2 3.77Å; V156-V162 HydrophobicContact CG1-CG2 3.99Å; V156-V162 HydrophobicContact CG2-CG1 4.28Å; V156-V162 HydrophobicContact CG2-CG2 3.75Å; V162-Y164 HydrophobicContact CB-CE2 4.31Å; V162-Y164 HydrophobicContact CG1-CD2 4.35Å; V162-Y164 HydrophobicContact CG1-CE1 4.28Å; V162-Y164 HydrophobicContact CG1-CE2 3.73Å; V162-I195 PolarHBondContact N-O 2.72Å; V162-A196 VanDerWaalsContact O-CA 3.29Å; V162-A196 WeakPolarHBondContact O-CA 3.36Å; V162-G197 PolarHBondContact O-N 3Å
163L98.4Very high91.8Very high0 Ų036.5 Ų36.50%022%0.216CC..EExtended strand (participates in β ladder)trans-104.5111.9178.5-175.267.4000110.3I46 K47 I48 I49 F70 I74 F161 V165 G197 A199 I224I46-L163 HydrophobicContact CG2-CB 3.95Å; K47-L163 PolarHBondContact O-N 2.72Å; I48-L163 WeakPolarHBondContact CA-O 3.38Å; I49-L163 PolarHBondContact N-O 2.7Å; F70-L163 HydrophobicContact CD1-CD2 3.99Å; F70-L163 HydrophobicContact CE1-CD2 3.96Å; I74-L163 HydrophobicContact CD1-CD2 4.02Å; F161-L163 HydrophobicContact CD1-CB 4.28Å; F161-L163 HydrophobicContact CE1-CB 3.95Å; F161-L163 HydrophobicContact CE1-CD1 4Å; L163-V165 HydrophobicContact CD2-CG2 4.04Å; L163-V165 HydrophobicContact CG-CG2 3.98Å; L163-G197 WeakPolarHBondContact CA-O 3.36Å; L163-A199 HydrophobicContact CD1-CB 4.09Å; L163-I224 HydrophobicContact CD2-CD1 3.83Å; L163-I224 HydrophobicContact CD2-CG1 3.94Å
164Y98.4Very high90.7Very high0 Ų038.9 Ų38.90%024%0.241CC..EExtended strand (participates in β ladder)trans-84.9117.8173.9-64.4-82.8000110.4I49 L92 C122 V125 V127 H131 V162 A196 G197 Y198 A199I49-Y164 HydrophobicContact CB-CD1 3.81Å; I49-Y164 HydrophobicContact CB-CE1 3.98Å; I49-Y164 HydrophobicContact CG1-CD1 4.44Å; I49-Y164 HydrophobicContact CG1-CE1 4.18Å; I49-Y164 HydrophobicContact CG2-CD1 3.92Å; I49-Y164 HydrophobicContact CG2-CE1 3.96Å; I49-Y164 CarbonylContact O-C 3.55Å; I49-Y164 WeakPolarHBondContact O-CA 3.11Å; L92-Y164 HydrophobicContact CD1-CE2 4.06Å; L92-Y164 WeakPolarHBondContact CD1-OH 3.22Å; C122-Y164 HydrophobicContact CB-CD2 3.82Å; C122-Y164 HydrophobicContact CB-CE2 4.24Å; C122-Y164 HydrophobicContact CB-CG 4.47Å; V125-Y164 HydrophobicContact CG1-CD1 4.01Å; V125-Y164 HydrophobicContact CG1-CG 4.31Å; V127-Y164 WeakPolarHBondContact CG1-OH 3.39Å; V127-Y164 HydrophobicContact CG2-CE2 4.33Å; H131-Y164 AromaticContact ND1-CE1 3.83Å; H131-Y164 AromaticContact ND1-CZ 3.78Å; H131-Y164 PolarHBondContact ND1-OH 3.04Å; V162-Y164 HydrophobicContact CB-CE2 4.31Å; V162-Y164 HydrophobicContact CG1-CD2 4.35Å; V162-Y164 HydrophobicContact CG1-CE1 4.28Å; V162-Y164 HydrophobicContact CG1-CE2 3.73Å; Y164-A196 HydrophobicContact CE2-CB 4.37Å; Y164-G197 WeakPolarHBondContact CD2-O 3.4Å; Y164-G197 PolarHBondContact N-O 3.22Å; Y164-Y198 CarbonylContact O-C 3.56Å; Y164-Y198 WeakPolarHBondContact O-CA 3.42Å; Y164-Y198 WeakPolarHBondContact O-CB 3.4Å; Y164-A199 PolarHBondContact O-N 2.81Å
165V98.3Very high89.5Confident0 Ų039.7 Ų39.70%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7127.4-174.9176.40000110.7I48 I49 Y50 D51 V54 V65 F70 L163 A199I48-V165 HydrophobicContact CG2-CB 4.2Å; I48-V165 HydrophobicContact CG2-CG2 3.63Å; I49-V165 PolarHBondContact O-N 3.19Å; Y50-V165 HydrophobicContact CD1-CB 3.8Å; Y50-V165 HydrophobicContact CD1-CG1 3.79Å; Y50-V165 HydrophobicContact CE1-CB 4Å; Y50-V165 HydrophobicContact CE1-CG1 3.79Å; Y50-V165 HydrophobicContact CE1-CG2 4.5Å; D51-V165 WeakPolarHBondContact CB-O 3.43Å; D51-V165 PolarHBondContact N-O 2.05Å; V54-V165 HydrophobicContact CG2-CG1 4.33Å; V65-V165 HydrophobicContact CG1-CG1 4.49Å; F70-V165 HydrophobicContact CD1-CG1 4.47Å; F70-V165 HydrophobicContact CD1-CG2 3.67Å; F70-V165 HydrophobicContact CD2-CG1 3.92Å; F70-V165 HydrophobicContact CE1-CB 4.36Å; F70-V165 HydrophobicContact CE1-CG1 4Å; F70-V165 HydrophobicContact CE1-CG2 3.4Å; F70-V165 VanDerWaalsContact CE1-CG2 3.4Å; F70-V165 HydrophobicContact CE2-CB 4.47Å; F70-V165 HydrophobicContact CE2-CG1 3.34Å; F70-V165 HydrophobicContact CE2-CG2 4.27Å; F70-V165 HydrophobicContact CG-CG1 4.43Å; F70-V165 HydrophobicContact CG-CG2 4.22Å; F70-V165 HydrophobicContact CZ-CB 4.2Å; F70-V165 HydrophobicContact CZ-CG1 3.38Å; F70-V165 HydrophobicContact CZ-CG2 3.72Å; L163-V165 HydrophobicContact CD2-CG2 4.04Å; L163-V165 HydrophobicContact CG-CG2 3.98Å; V165-A199 VanDerWaalsContact CA-O 3.31Å; V165-A199 WeakPolarHBondContact CA-O 3.22Å
166S97.3Very high88Confident1 Ų147.7 Ų47.71%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-130.6157.5179.5590000113.5P124 A199 N200 L201P124-S166 WeakPolarHBondContact CG-OG 3.26Å; S166-A199 PolarHBondContact N-O 3.02Å; S166-N200 WeakPolarHBondContact CB-OD1 3.19Å; S166-N200 WeakPolarHBondContact O-CA 3.31Å; S166-N200 PolarHBondContact O-OD1 2.98Å; S166-N200 WeakPolarHBondContact OG-CB 3.05Å; S166-N200 PolarHBondContact OG-OD1 3.45Å; S166-L201 PolarHBondContact O-N 3.04Å
167G95.2Very high86.6Confident8 Ų851 Ų518%0.08229%0.289CS..  trans-12053.8172.800000110.5S53 L201 P203S53-G167 PolarHBondContact OG-N 2.95Å; G167-L201 WeakPolarHBondContact CA-O 3.38Å; G167-P203 WeakPolarHBondContact O-CG 3.34Å
168I93.7Very high86.1Confident50 Ų5044.6 Ų44.626%0.25626%0.26SS..  trans-100.4132.8-173.5-61.4165.6000109.3S53 P124 T170 C173 N200S53-I168 WeakPolarHBondContact OG-CG1 3.5Å; P124-I168 HydrophobicContact CB-CD1 4.06Å; I168-T170 HydrophobicContact CB-CG2 4.2Å; I168-T170 HydrophobicContact CG2-CG2 3.79Å; I168-T170 PolarHBondContact O-N 3.47Å; I168-T170 VanDerWaalsContact O-N 3.08Å; I168-C173 PolarHBondContact O-SG 2.82Å; I168-N200 PolarHBondContact N-OD1 3.32Å; I168-N200 PolarHBondContact O-ND2 2.9Å; I168-N200 PolarHBondContact O-OD1 2.76Å
169T91.4Very high86Confident106 Ų10642.9 Ų42.965%0.6524%0.237SC*.  trans-74.594.7167-54.90000108.8C173T169-C173 HydrophobicContact CG2-CB 4.32Å
170T88.9Confident86Confident32 Ų3243.1 Ų43.120%0.19624%0.239CC..  trans-93.2171.7175.763.40000111.2P124 I168 R172 C173 G174 Y181P124-T170 HydrophobicContact CB-CG2 4.27Å; I168-T170 HydrophobicContact CB-CG2 4.2Å; I168-T170 HydrophobicContact CG2-CG2 3.79Å; I168-T170 PolarHBondContact O-N 3.47Å; I168-T170 VanDerWaalsContact O-N 3.08Å; T170-R172 PolarHBondContact O-N 3.38Å; T170-R172 PolarHBondContact OG1-N 3.48Å; T170-C173 WeakPolarHBondContact O-CA 3.45Å; T170-C173 VanDerWaalsContact O-CB 3.31Å; T170-C173 WeakPolarHBondContact O-CB 3.39Å; T170-C173 PolarHBondContact O-N 3.26Å; T170-G174 PolarHBondContact O-N 3.16Å; T170-Y181 WeakPolarHBondContact CB-OH 3.17Å; T170-Y181 WeakPolarHBondContact CG2-OH 3.19Å; T170-Y181 PolarHBondContact OG1-OH 2.05Å
171E84.9Confident86Confident173 Ų17343.5 Ų43.581%0.80824%0.241SC*.G310 helixtrans-53.8-35.6171.2-172.3-177.9-177.600111.9C173 G174E171-C173 VanDerWaalsContact C-N 3.28Å; E171-C173 PolarHBondContact O-N 2.88Å; E171-G174 PolarHBondContact O-N 3.14Å
172R81.9Confident85.9Confident31 Ų3143.5 Ų43.512%0.11724%0.241CC..G310 helixtrans-61.9-35.3174.8-59.3-170.4-169.7-1722.4112.1T170 G174 Q175 I178 Y181T170-R172 PolarHBondContact O-N 3.38Å; T170-R172 PolarHBondContact OG1-N 3.48Å; R172-G174 PolarHBondContact O-N 2.99Å; R172-Q175 WeakPolarHBondContact O-CB 3.43Å; R172-Q175 PolarHBondContact O-N 3.28Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; R172-I178 WeakPolarHBondContact O-CD1 3.41Å; R172-Y181 HydrophobicContact CB-CD1 4.2Å; R172-Y181 HydrophobicContact CB-CE1 3.85Å
173C82.9Confident85.9Confident27 Ų2743.5 Ų43.518%0.18224%0.241CC..G310 helixtrans-68.9-17.5175.5-64.40000113.6I168 T169 T170 E171 C202I168-C173 PolarHBondContact O-SG 2.82Å; T169-C173 HydrophobicContact CG2-CB 4.32Å; T170-C173 WeakPolarHBondContact O-CA 3.45Å; T170-C173 VanDerWaalsContact O-CB 3.31Å; T170-C173 WeakPolarHBondContact O-CB 3.39Å; T170-C173 PolarHBondContact O-N 3.26Å; E171-C173 VanDerWaalsContact C-N 3.28Å; E171-C173 PolarHBondContact O-N 2.88Å; C173-C202 WeakPolarHBondContact CA-SG 3.34Å; C173-C202 HydrophobicContact CB-CB 3.67Å; C173-C202 WeakPolarHBondContact CB-SG 3.46Å; C173-C202 WeakPolarHBondContact SG-CA 3.49Å; C173-C202 WeakPolarHBondContact SG-CB 3.24Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.96Å
174G69.1Low85.9Confident67 Ų6743.8 Ų43.869%0.69124%0.242SC*.G310 helixtrans-83.2-11.5173.400000113.8T170 E171 R172T170-G174 PolarHBondContact O-N 3.16Å; E171-G174 PolarHBondContact O-N 3.14Å; R172-G174 PolarHBondContact O-N 2.99Å
175Q67.6Low85.8Confident107 Ų10743.9 Ų43.950%0.524%0.243SC..SBendtrans-77.7132.9170.7-61-178.7-21.900108.6R172 N177 I178R172-Q175 WeakPolarHBondContact O-CB 3.43Å; R172-Q175 PolarHBondContact O-N 3.28Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; Q175-N177 PolarHBondContact O-N 2.77Å; Q175-I178 HydrophobicContact CB-CD1 4.02Å
176E58.1Low85.8Confident176 Ų17644 Ų4482%0.82224%0.243SC*.THydrogen-bonded Turntrans-54.9131.8-171.3-63.6-171.1168.700111.9I178E176-I178 PolarHBondContact O-N 3.28Å
177N64.1Low85.7Confident77 Ų7744 Ų4441%0.41224%0.243SC..THydrogen-bonded Turntrans73.710.6168.6-55.7-55.2000119R10 Q175 V179R10-N177 HydrophobicContact CB-CB 4.36Å; R10-N177 HydrophobicContact CG-CB 3.98Å; Q175-N177 PolarHBondContact O-N 2.77Å; N177-V179 PolarHBondContact O-N 3.14Å
178I77.1Confident85.6Confident17 Ų1743.7 Ų43.79%0.08724%0.239CC..  trans-77.2112.2172.6-56.4-173.2000110.7T13 R172 Q175 E176 A180 Y181T13-I178 WeakPolarHBondContact OG1-CD1 3.27Å; R172-I178 WeakPolarHBondContact O-CD1 3.41Å; Q175-I178 HydrophobicContact CB-CD1 4.02Å; E176-I178 PolarHBondContact O-N 3.28Å; I178-A180 WeakPolarHBondContact CG2-O 3.29Å; I178-Y181 HydrophobicContact CG2-CD1 4.11Å
179V82.6Confident85.4Confident21 Ų2143.1 Ų43.113%0.12724%0.242CC..  trans-81-46.5177.8178.40000111.2R10 N177 C202 M205 T219R10-V179 VanDerWaalsContact NH1-CG2 3.3Å; N177-V179 PolarHBondContact O-N 3.14Å; V179-C202 PolarHBondContact O-N 3.47Å; V179-M205 HydrophobicContact CB-CB 4.48Å; V179-M205 HydrophobicContact CG1-CB 4.42Å; V179-M205 HydrophobicContact CG2-CB 4.47Å; V179-M205 HydrophobicContact CG2-CE 4.37Å; V179-T219 HydrophobicContact CB-CG2 4.39Å
180A88.8Confident85.3Confident8 Ų841.4 Ų41.47%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-150.5161.4-179.900000108.7I178 N200 L201 E223I178-A180 WeakPolarHBondContact CG2-O 3.29Å; A180-N200 WeakPolarHBondContact CA-O 3.43Å; A180-L201 HydrophobicContact CB-CD1 4.43Å; A180-L201 HydrophobicContact CB-CG 4.12Å; A180-E223 HydrophobicContact CB-CG 4.04Å
181Y92.8Very high85.4Confident12 Ų1240.8 Ų40.85%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-146.5146.9167.759.5-90.2000109.4T170 R172 I178 Y198 A199 N200 E223T170-Y181 WeakPolarHBondContact CB-OH 3.17Å; T170-Y181 WeakPolarHBondContact CG2-OH 3.19Å; T170-Y181 PolarHBondContact OG1-OH 2.05Å; R172-Y181 HydrophobicContact CB-CD1 4.2Å; R172-Y181 HydrophobicContact CB-CE1 3.85Å; I178-Y181 HydrophobicContact CG2-CD1 4.11Å; Y181-Y198 AromaticContact CD2-CE2 3.83Å; Y181-Y198 HydrophobicContact CD2-CE2 3.83Å; Y181-Y198 HydrophobicContact CE2-CD2 4.44Å; Y181-Y198 AromaticContact CE2-CE2 3.71Å; Y181-Y198 HydrophobicContact CE2-CE2 3.71Å; Y181-A199 WeakPolarHBondContact O-CA 3.48Å; Y181-N200 HydrophobicContact CD1-CB 4.42Å; Y181-N200 HydrophobicContact CD2-CB 4.41Å; Y181-N200 HydrophobicContact CE1-CB 3.84Å; Y181-N200 WeakPolarHBondContact CE1-ND2 3.02Å; Y181-N200 HydrophobicContact CE2-CB 3.82Å; Y181-N200 VanDerWaalsContact CZ-CB 3.49Å; Y181-N200 PolarHBondContact N-O 3.42Å; Y181-N200 PolarHBondContact O-N 3.44Å; Y181-N200 PolarHBondContact OH-ND2 2.82Å; Y181-E223 VanDerWaalsContact CA-OE2 3.29Å; Y181-E223 WeakPolarHBondContact CA-OE2 3.04Å
182A95.7Very high85.9Confident0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-141.5155.5174.700000112.4H14 Y198 A199 E223 A227H14-A182 PolarHBondContact CE1-O 2.81Å; H14-A182 VanDerWaalsContact CE1-O 3.22Å; H14-A182 PolarHBondContact ND1-O 3.4Å; A182-Y198 CarbonylContact C-O 3.54Å; A182-Y198 WeakPolarHBondContact CA-O 3.33Å; A182-Y198 WeakPolarHBondContact CB-O 3.33Å; A182-A199 HydrophobicContact CB-CB 3.8Å; A182-E223 HydrophobicContact CB-CB 3.65Å; A182-E223 WeakPolarHBondContact CB-O 3.4Å; A182-E223 PolarHBondContact N-OE2 3.03Å; A182-E223 VanDerWaalsContact N-OE2 3.12Å; A182-A227 HydrophobicContact CB-CB 4.34Å
183A97.1Very high86.6Confident0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-157.8171.1173.600000111.6P17 G197 Y198 A227P17-A183 HydrophobicContact CG-CB 3.45Å; P17-A183 VanDerWaalsContact CG-CB 3.45Å; A183-G197 CarbonylContact O-C 3.56Å; A183-G197 WeakPolarHBondContact O-CA 3.3Å; A183-Y198 HydrophobicContact CB-CE1 3.81Å; A183-Y198 PolarHBondContact N-O 3.47Å; A183-Y198 PolarHBondContact O-N 2.89Å; A183-A227 WeakPolarHBondContact O-CB 3.46Å
184Y97.9Very high87.3Confident7 Ų730.1 Ų30.13%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-82.3158.3172.759-81.3000110.9P17 V22 L187 G233 L234P17-Y184 HydrophobicContact CG-CD1 4.39Å; P17-Y184 HydrophobicContact CG-CE1 4.21Å; P17-Y184 VanDerWaalsContact CG-O 3.24Å; P17-Y184 WeakPolarHBondContact CG-O 3.47Å; V22-Y184 HydrophobicContact CG1-CD2 4.08Å; V22-Y184 HydrophobicContact CG1-CE2 4Å; V22-Y184 HydrophobicContact CG2-CD2 4.09Å; V22-Y184 HydrophobicContact CG2-CE2 3.74Å; Y184-L187 HydrophobicContact CD2-CD2 4.07Å; Y184-L187 HydrophobicContact CD2-CG 4.36Å; Y184-L187 HydrophobicContact CE2-CD1 4.36Å; Y184-G233 VanDerWaalsContact OH-CA 3.25Å; Y184-G233 WeakPolarHBondContact OH-CA 3.39Å; Y184-G233 PolarHBondContact OH-O 2.88Å; Y184-L234 HydrophobicContact CD1-CD1 3.57Å; Y184-L234 HydrophobicContact CD1-CD2 4.03Å; Y184-L234 HydrophobicContact CD1-CG 3.81Å; Y184-L234 HydrophobicContact CD2-CD2 3.87Å; Y184-L234 HydrophobicContact CE1-CD1 3.71Å; Y184-L234 HydrophobicContact CE1-CD2 3.79Å; Y184-L234 HydrophobicContact CE1-CG 3.43Å; Y184-L234 VanDerWaalsContact CE1-CG 3.43Å; Y184-L234 HydrophobicContact CE2-CD2 3.57Å; Y184-L234 HydrophobicContact CE2-CG 4.19Å; Y184-L234 HydrophobicContact CG-CD1 4.14Å; Y184-L234 HydrophobicContact CG-CD2 4.08Å; Y184-L234 HydrophobicContact CG-CG 4.36Å
185C97.4Very high88.6Confident2 Ų226.9 Ų26.91%0.01414%0.138CC..EExtended strand (participates in β ladder)trans-137.4-20175.765.90000113.7V22 V23 C122 A196V22-C185 CarbonylContact C-O 3.55Å; V22-C185 VanDerWaalsContact CA-O 3.31Å; V22-C185 WeakPolarHBondContact CA-O 2.94Å; V23-C185 PolarHBondContact N-O 3.4Å; C122-C185 HydrophobicContact CB-CB 3.86Å; C122-C185 WeakPolarHBondContact CB-SG 3.19Å; C122-C185 WeakPolarHBondContact SG-CB 3Å; C122-C185 CovalentContact SG-SG 2.03Å; C122-C185 PolarHBondContact SG-SG 3.13Å; C185-A196 PolarHBondContact N-O 2.73Å; C185-A196 PolarHBondContact SG-O 3.36Å
186Q96.6Very high90Very high2 Ų221.8 Ų21.81%0.00911%0.114CC..EExtended strand (participates in β ladder)trans-139.4137173.7-58.6-155.37.800112.4V23 V26 L92 S93 I195 A196V23-Q186 HydrophobicContact CB-CG 3.97Å; V23-Q186 HydrophobicContact CG2-CG 4.39Å; V23-Q186 VanDerWaalsContact O-CA 3.29Å; V23-Q186 WeakPolarHBondContact O-CA 3.43Å; V26-Q186 HydrophobicContact CG2-CB 4.1Å; L92-Q186 HydrophobicContact CD2-CB 4.26Å; L92-Q186 HydrophobicContact CD2-CG 4.36Å; S93-Q186 PolarHBondContact O-NE2 2.87Å; Q186-I195 HydrophobicContact CB-CD1 4.47Å; Q186-I195 HydrophobicContact CB-CG1 4.1Å; Q186-I195 WeakPolarHBondContact O-CG1 3.23Å; Q186-I195 PolarHBondContact O-N 3.38Å; Q186-A196 HydrophobicContact CB-CB 4.29Å; Q186-A196 PolarHBondContact N-O 2.99Å
187L95.6Very high91.9Very high0 Ų013.4 Ų13.40%08%0.075CC..EExtended strand (participates in β ladder)trans-117.5133.3179.2-57.2172.6000109.7V22 V23 H24 Q25 V26 Y184 D192 R193 P194 L234V22-L187 HydrophobicContact CG1-CD1 4.26Å; V22-L187 HydrophobicContact CG1-CG 4.29Å; V23-L187 PolarHBondContact O-N 3.02Å; H24-L187 CarbonylContact C-O 3.58Å; H24-L187 WeakPolarHBondContact ND1-CD1 3.43Å; Q25-L187 PolarHBondContact N-O 2.91Å; V26-L187 PolarHBondContact N-O 3.31Å; Y184-L187 HydrophobicContact CD2-CD2 4.07Å; Y184-L187 HydrophobicContact CD2-CG 4.36Å; Y184-L187 HydrophobicContact CE2-CD1 4.36Å; L187-D192 WeakPolarHBondContact CD2-O 3.16Å; L187-R193 WeakPolarHBondContact CA-O 3.36Å; L187-P194 HydrophobicContact CD2-CB 4.07Å; L187-P194 HydrophobicContact CD2-CG 3.61Å; L187-L234 HydrophobicContact CD1-CD2 4.03Å; L187-L234 HydrophobicContact CD2-CD2 3.71Å
188E93.3Very high93.5Very high3 Ų310 Ų101%0.0146%0.056CC..EExtended strand (participates in β ladder)trans-75.7159.3-178.568.7100-176.400113.4V26 L28 E190 L191 D192 R193 I195V26-E188 CarbonylContact O-C 3.59Å; V26-E188 WeakPolarHBondContact O-CA 3.49Å; L28-E188 HydrophobicContact CD1-CB 3.85Å; L28-E188 HydrophobicContact CG-CB 4.28Å; E188-E190 PolarHBondContact OE2-N 3.02Å; E188-L191 VanDerWaalsContact OE1-CB 3.25Å; E188-L191 WeakPolarHBondContact OE1-CB 3.28Å; E188-L191 PolarHBondContact OE1-N 3.01Å; E188-D192 WeakPolarHBondContact O-CA 3.38Å; E188-D192 PolarHBondContact O-N 3.37Å; E188-D192 VanDerWaalsContact O-N 3.15Å; E188-R193 HydrophobicContact CG-CB 3.89Å; E188-R193 PolarHBondContact N-O 2.88Å; E188-I195 HydrophobicContact CB-CD1 4.21Å; E188-I195 HydrophobicContact CB-CG2 3.75Å; E188-I195 HydrophobicContact CG-CG2 3.94Å
189A90.3Very high94.5Very high37 Ų379.4 Ų9.431%0.3065%0.053SC..THydrogen-bonded Turntrans-76.9-23.6-167.600000116.1Q25 V26Q25-A189 HydrophobicContact CB-CB 4.2Å; V26-A189 PolarHBondContact O-N 3.45Å
190E88.9Confident95.2Very high71 Ų718.4 Ų8.433%0.3325%0.047SC..THydrogen-bonded Turntrans-90.5-47.5-172.7-62.6-168.3-176.700112.6R85 E188R85-E190 IonicContact CZ-OE2 3.95Å; R85-E190 IonicContact NE-OE2 3.52Å; R85-E190 IonicContact NH1-OE2 3.39Å; R85-E190 PolarHBondContact NH1-OE2 3.33Å; R85-E190 IonicContact NH2-OE1 3.32Å; R85-E190 IonicContact NH2-OE2 3.56Å; R85-E190 PolarHBondContact NH2-OE2 3.18Å; E188-E190 PolarHBondContact OE2-N 3.02Å
191L91.3Very high95.4Very high18 Ų188.3 Ų8.39%0.0945%0.046CC..THydrogen-bonded Turntrans-115.25.2-178.8-56.5171.9000113.5R85 E188 R193 H239 W362R85-L191 HydrophobicContact CB-CD1 4.31Å; E188-L191 VanDerWaalsContact OE1-CB 3.25Å; E188-L191 WeakPolarHBondContact OE1-CB 3.28Å; E188-L191 PolarHBondContact OE1-N 3.01Å; L191-R193 PolarHBondContact O-N 3.12Å; L191-H239 PolarHBondContact O-CE1 2.03Å; L191-H239 PolarHBondContact O-ND1 2.78Å; L191-H239 VanDerWaalsContact O-ND1 3.08Å; L191-W362 PolarHBondContact O-NE1 3.29Å
192D95.2Very high95.4Very high4 Ų47.9 Ų7.92%0.0214%0.044CC..  trans54.123.6-171.6-58.2-78.4000114.2L187 E188 F237 H239 R249 W362L187-D192 WeakPolarHBondContact CD2-O 3.16Å; E188-D192 WeakPolarHBondContact O-CA 3.38Å; E188-D192 PolarHBondContact O-N 3.37Å; E188-D192 VanDerWaalsContact O-N 3.15Å; D192-F237 HydrophobicContact CB-CB 3.82Å; D192-F237 HydrophobicContact CB-CD1 3.79Å; D192-F237 HydrophobicContact CB-CG 4.17Å; D192-H239 IonicContact OD2-CE1 2.96Å; D192-H239 PolarHBondContact OD2-CE1 3.25Å; D192-H239 IonicContact OD2-NE2 3.47Å; D192-R249 IonicContact OD1-NH1 2.77Å; D192-R249 IonicContact OD2-CZ 3.9Å; D192-R249 IonicContact OD2-NH1 3.93Å; D192-R249 PolarHBondContact OD2-NH1 2.98Å; D192-R249 IonicContact OD2-NH2 2.79Å; D192-R249 PolarHBondContact OD2-NH2 2.82Å; D192-W362 VanDerWaalsContact O-CZ2 3.27Å; D192-W362 WeakPolarHBondContact O-CZ2 3.43Å
193R95.9Very high95.2Very high3 Ų39.1 Ų9.11%0.0115%0.052CC..  trans-67136.8178.7-174.6177.963.178.8-6.3110.5D160 L187 E188 L191 I195 W362D160-R193 PolarHBondContact O-NH1 3.46Å; D160-R193 PolarHBondContact O-NH2 3.26Å; D160-R193 VanDerWaalsContact O-NH2 3.14Å; L187-R193 WeakPolarHBondContact CA-O 3.36Å; E188-R193 HydrophobicContact CG-CB 3.89Å; E188-R193 PolarHBondContact N-O 2.88Å; L191-R193 PolarHBondContact O-N 3.12Å; R193-I195 PolarHBondContact O-N 3.14Å; R193-W362 HydrophobicContact CB-CB 4.3Å; R193-W362 HydrophobicContact CB-CD2 4.16Å; R193-W362 HydrophobicContact CB-CG 3.76Å; R193-W362 HydrophobicContact CG-CB 3.72Å; R193-W362 HydrophobicContact CG-CD2 4.04Å; R193-W362 HydrophobicContact CG-CG 3.63Å
194P97.2Very high94.8Very high0 Ų013.4 Ų13.40%09%0.088CC..EExtended strand (participates in β ladder)trans-54.2125.8164.4-25.935.3000111.6F161 L187 A227 L234 W362F161-P194 HydrophobicContact CD2-CB 4.26Å; F161-P194 WeakPolarHBondContact CD2-O 3.39Å; F161-P194 HydrophobicContact CE2-CB 3.8Å; L187-P194 HydrophobicContact CD2-CB 4.07Å; L187-P194 HydrophobicContact CD2-CG 3.61Å; P194-A227 WeakPolarHBondContact CB-O 3.11Å; P194-L234 HydrophobicContact CG-CD1 3.89Å; P194-L234 HydrophobicContact CG-CD2 4.31Å; P194-W362 VanDerWaalsContact CD-CE3 3.5Å; P194-W362 HydrophobicContact CG-CE3 4.31Å; P194-W362 HydrophobicContact CG-CH2 4.15Å; P194-W362 HydrophobicContact CG-CZ3 3.84Å
195I96.8Very high94.3Very high0 Ų015.7 Ų15.70%010%0.1CC..EExtended strand (participates in β ladder)trans-120.4-15.1176.957.7165.4000112.7V26 L28 V90 L92 F161 V162 Q186 E188 R193V26-I195 HydrophobicContact CB-CD1 3.89Å; V26-I195 HydrophobicContact CG1-CD1 3.75Å; V26-I195 HydrophobicContact CG2-CD1 4.49Å; L28-I195 HydrophobicContact CD1-CD1 4.15Å; L28-I195 HydrophobicContact CD1-CG2 4Å; L28-I195 HydrophobicContact CD2-CD1 4.17Å; L28-I195 HydrophobicContact CG-CD1 4.37Å; V90-I195 HydrophobicContact CG1-CB 4.44Å; V90-I195 HydrophobicContact CG1-CD1 4.45Å; V90-I195 HydrophobicContact CG2-CB 4.43Å; L92-I195 HydrophobicContact CD2-CD1 4.01Å; L92-I195 HydrophobicContact CD2-CG1 4.28Å; F161-I195 CarbonylContact C-O 3.48Å; F161-I195 WeakPolarHBondContact CA-O 3.29Å; V162-I195 PolarHBondContact N-O 2.72Å; Q186-I195 HydrophobicContact CB-CD1 4.47Å; Q186-I195 HydrophobicContact CB-CG1 4.1Å; Q186-I195 WeakPolarHBondContact O-CG1 3.23Å; Q186-I195 PolarHBondContact O-N 3.38Å; E188-I195 HydrophobicContact CB-CD1 4.21Å; E188-I195 HydrophobicContact CB-CG2 3.75Å; E188-I195 HydrophobicContact CG-CG2 3.94Å; R193-I195 PolarHBondContact O-N 3.14Å
196A97.8Very high94Very high0 Ų015.8 Ų15.80%010%0.1CC..EExtended strand (participates in β ladder)trans-145146.1168.700000110.7L92 V162 Y164 C185 Q186L92-A196 HydrophobicContact CD1-CB 3.92Å; L92-A196 HydrophobicContact CD2-CB 3.7Å; L92-A196 HydrophobicContact CG-CB 4.49Å; V162-A196 VanDerWaalsContact O-CA 3.29Å; V162-A196 WeakPolarHBondContact O-CA 3.36Å; Y164-A196 HydrophobicContact CE2-CB 4.37Å; C185-A196 PolarHBondContact N-O 2.73Å; C185-A196 PolarHBondContact SG-O 3.36Å; Q186-A196 HydrophobicContact CB-CB 4.29Å; Q186-A196 PolarHBondContact N-O 2.99Å
197G98.2Very high93.4Very high0 Ų016.5 Ų16.50%011%0.105CC..EExtended strand (participates in β ladder)trans-154.5179173.100000110.9V162 L163 Y164 A183V162-G197 PolarHBondContact O-N 3Å; L163-G197 WeakPolarHBondContact CA-O 3.36Å; Y164-G197 WeakPolarHBondContact CD2-O 3.4Å; Y164-G197 PolarHBondContact N-O 3.22Å; A183-G197 CarbonylContact O-C 3.56Å; A183-G197 WeakPolarHBondContact O-CA 3.3Å
198Y98.1Very high92.9Very high5 Ų519.5 Ų19.52%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-132.8153.8-179.765.7-88.9000110.5C122 G123 Y164 Y181 A182 A183C122-Y198 WeakPolarHBondContact O-CB 3.36Å; G123-Y198 VanDerWaalsContact CA-CD1 3.41Å; G123-Y198 VanDerWaalsContact N-CD1 3.32Å; Y164-Y198 CarbonylContact O-C 3.56Å; Y164-Y198 WeakPolarHBondContact O-CA 3.42Å; Y164-Y198 WeakPolarHBondContact O-CB 3.4Å; Y181-Y198 AromaticContact CD2-CE2 3.83Å; Y181-Y198 HydrophobicContact CD2-CE2 3.83Å; Y181-Y198 HydrophobicContact CE2-CD2 4.44Å; Y181-Y198 AromaticContact CE2-CE2 3.71Å; Y181-Y198 HydrophobicContact CE2-CE2 3.71Å; A182-Y198 CarbonylContact C-O 3.54Å; A182-Y198 WeakPolarHBondContact CA-O 3.33Å; A182-Y198 WeakPolarHBondContact CB-O 3.33Å; A183-Y198 HydrophobicContact CB-CE1 3.81Å; A183-Y198 PolarHBondContact N-O 3.47Å; A183-Y198 PolarHBondContact O-N 2.89Å
199A97.6Very high92.3Very high4 Ų424 Ų243%0.03315%0.147CC..EExtended strand (participates in β ladder)trans-134.7127.5169.300000109.2F70 L163 Y164 V165 S166 Y181 A182F70-A199 HydrophobicContact CE1-CB 3.74Å; F70-A199 HydrophobicContact CZ-CB 3.89Å; L163-A199 HydrophobicContact CD1-CB 4.09Å; Y164-A199 PolarHBondContact O-N 2.81Å; V165-A199 VanDerWaalsContact CA-O 3.31Å; V165-A199 WeakPolarHBondContact CA-O 3.22Å; S166-A199 PolarHBondContact N-O 3.02Å; Y181-A199 WeakPolarHBondContact O-CA 3.48Å; A182-A199 HydrophobicContact CB-CB 3.8Å
200N96.3Very high91.7Very high0 Ų027.2 Ų27.20%017%0.165CC..EExtended strand (participates in β ladder)trans-116.3128.5177.6-175.379.7000110.1P124 S166 I168 A180 Y181P124-N200 HydrophobicContact CG-CB 4.3Å; S166-N200 WeakPolarHBondContact CB-OD1 3.19Å; S166-N200 WeakPolarHBondContact O-CA 3.31Å; S166-N200 PolarHBondContact O-OD1 2.98Å; S166-N200 WeakPolarHBondContact OG-CB 3.05Å; S166-N200 PolarHBondContact OG-OD1 3.45Å; I168-N200 PolarHBondContact N-OD1 3.32Å; I168-N200 PolarHBondContact O-ND2 2.9Å; I168-N200 PolarHBondContact O-OD1 2.76Å; A180-N200 WeakPolarHBondContact CA-O 3.43Å; Y181-N200 HydrophobicContact CD1-CB 4.42Å; Y181-N200 HydrophobicContact CD2-CB 4.41Å; Y181-N200 HydrophobicContact CE1-CB 3.84Å; Y181-N200 WeakPolarHBondContact CE1-ND2 3.02Å; Y181-N200 HydrophobicContact CE2-CB 3.82Å; Y181-N200 VanDerWaalsContact CZ-CB 3.49Å; Y181-N200 PolarHBondContact N-O 3.42Å; Y181-N200 PolarHBondContact O-N 3.44Å; Y181-N200 PolarHBondContact OH-ND2 2.82Å
201L94.4Very high91Very high7 Ų728.6 Ų28.64%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-98.2130.7169.1-78.574000109.3V65 L69 F70 S166 G167 A180 P203 I206V65-L201 HydrophobicContact CG2-CD2 4.08Å; L69-L201 HydrophobicContact CD1-CD2 4.19Å; F70-L201 HydrophobicContact CE2-CD1 3.28Å; F70-L201 HydrophobicContact CE2-CD2 4.45Å; F70-L201 HydrophobicContact CE2-CG 4.5Å; F70-L201 HydrophobicContact CZ-CD1 3.31Å; S166-L201 PolarHBondContact O-N 3.04Å; G167-L201 WeakPolarHBondContact CA-O 3.38Å; A180-L201 HydrophobicContact CB-CD1 4.43Å; A180-L201 HydrophobicContact CB-CG 4.12Å; L201-P203 VanDerWaalsContact O-CD 3.27Å; L201-P203 WeakPolarHBondContact O-CD 3.38Å; L201-I206 HydrophobicContact CB-CD1 3.84Å; L201-I206 HydrophobicContact CB-CG1 3.98Å; L201-I206 HydrophobicContact CD2-CD1 4.23Å; L201-I206 HydrophobicContact CD2-CG1 4.08Å
202C92.5Very high90.5Very high2 Ų231.1 Ų31.11%0.01418%0.183CC..  trans-73.2115.6176.7-66.60000109.5C173 V179 A204 M205 I206C173-C202 WeakPolarHBondContact CA-SG 3.34Å; C173-C202 HydrophobicContact CB-CB 3.67Å; C173-C202 WeakPolarHBondContact CB-SG 3.46Å; C173-C202 WeakPolarHBondContact SG-CA 3.49Å; C173-C202 WeakPolarHBondContact SG-CB 3.24Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.96Å; V179-C202 PolarHBondContact O-N 3.47Å; C202-A204 VanDerWaalsContact C-N 3.26Å; C202-A204 PolarHBondContact O-N 2.72Å; C202-A204 VanDerWaalsContact O-N 3.09Å; C202-M205 HydrophobicContact CB-CB 4.31Å; C202-M205 HydrophobicContact CB-CG 4.18Å; C202-M205 PolarHBondContact O-N 2.79Å; C202-I206 PolarHBondContact O-N 2.84Å
203P91.6Very high90.1Very high26 Ų2632.4 Ų32.417%0.16919%0.188CC..G310 helixtrans-56.6-34.7-167.4-31.538.7000115.4L57 K61 G167 L201 M205L57-P203 HydrophobicContact CD2-CB 3.88Å; L57-P203 HydrophobicContact CD2-CG 4.11Å; K61-P203 PolarHBondContact NZ-O 2.85Å; G167-P203 WeakPolarHBondContact O-CG 3.34Å; L201-P203 VanDerWaalsContact O-CD 3.27Å; L201-P203 WeakPolarHBondContact O-CD 3.38Å; P203-M205 VanDerWaalsContact C-N 3.28Å; P203-M205 PolarHBondContact O-N 3.26Å
204A88.2Confident89.5Confident90 Ų9038.1 Ų38.174%0.74422%0.215SC*.G310 helixtrans-66.4-28.9177.200000112.9C202C202-A204 VanDerWaalsContact C-N 3.26Å; C202-A204 PolarHBondContact O-N 2.72Å; C202-A204 VanDerWaalsContact O-N 3.09Å
205M87.9Confident89Confident56 Ų5639.4 Ų39.428%0.27623%0.228SC..G310 helixtrans-93.6-6.5-174.7-59.8-55.5-69.300113.7V179 C202 P203 S207V179-M205 HydrophobicContact CB-CB 4.48Å; V179-M205 HydrophobicContact CG1-CB 4.42Å; V179-M205 HydrophobicContact CG2-CB 4.47Å; V179-M205 HydrophobicContact CG2-CE 4.37Å; C202-M205 HydrophobicContact CB-CB 4.31Å; C202-M205 HydrophobicContact CB-CG 4.18Å; C202-M205 PolarHBondContact O-N 2.79Å; P203-M205 VanDerWaalsContact C-N 3.28Å; P203-M205 PolarHBondContact O-N 3.26Å; M205-S207 PolarHBondContact O-N 2.91Å
206I89.5Confident88.6Confident3 Ų340 Ų402%0.01523%0.231CC..  trans-74.1107.5174.8-54.5173.1000108.2L57 K61 L64 V65 L201 C202L57-I206 HydrophobicContact CD1-CD1 3.92Å; L57-I206 HydrophobicContact CD2-CD1 4.31Å; K61-I206 HydrophobicContact CB-CG2 4.06Å; K61-I206 HydrophobicContact CD-CB 4.03Å; K61-I206 HydrophobicContact CD-CG2 4.12Å; K61-I206 WeakPolarHBondContact CE-O 3.29Å; K61-I206 HydrophobicContact CG-CB 4.45Å; K61-I206 HydrophobicContact CG-CG2 3.98Å; K61-I206 PolarHBondContact NZ-O 3.08Å; L64-I206 HydrophobicContact CD2-CG2 3.94Å; V65-I206 HydrophobicContact CG2-CD1 4.25Å; L201-I206 HydrophobicContact CB-CD1 3.84Å; L201-I206 HydrophobicContact CB-CG1 3.98Å; L201-I206 HydrophobicContact CD2-CD1 4.23Å; L201-I206 HydrophobicContact CD2-CG1 4.08Å; C202-I206 PolarHBondContact O-N 2.84Å
207S86Confident88.4Confident17 Ų1740.6 Ų40.612%0.11923%0.234CC..  trans-89.5136.7173-174.50000110.2L64 M205 Q209 E212 M216L64-S207 WeakPolarHBondContact CD2-O 3.43Å; M205-S207 PolarHBondContact O-N 2.91Å; S207-Q209 WeakPolarHBondContact OG-CB 3.49Å; S207-Q209 PolarHBondContact OG-N 3.28Å; S207-E212 WeakPolarHBondContact CB-OE1 3.24Å; S207-E212 WeakPolarHBondContact CB-OE2 3.2Å; S207-E212 PolarHBondContact OG-OE1 3.28Å; S207-E212 PolarHBondContact OG-OE2 3.07Å; S207-M216 WeakPolarHBondContact O-CE 3.33Å
208S84.8Confident88.1Confident63 Ų6341.1 Ų41.144%0.44124%0.238SC..  trans-95.66.1171.648.80000112.9D60D60-S208 WeakPolarHBondContact OD2-CB 3.25Å; D60-S208 PolarHBondContact OD2-OG 2.76Å
209Q80.8Confident87.8Confident97 Ų9741.9 Ų41.945%0.45324%0.243SC..  trans-69.9130.2178.4-62.7-168.98.600111.1S207 Q211 E212S207-Q209 WeakPolarHBondContact OG-CB 3.49Å; S207-Q209 PolarHBondContact OG-N 3.28Å; Q209-Q211 PolarHBondContact O-N 3.1Å; Q209-E212 HydrophobicContact CB-CG 4.48Å; Q209-E212 PolarHBondContact O-N 3.09Å; Q209-E212 VanDerWaalsContact O-N 3.09Å
210P77.7Confident87.7Confident106 Ų10642 Ų4269%0.68824%0.243SC*.G310 helixtrans-55.7-34.4179.4-27.635.3000113.9E212 F213P210-E212 VanDerWaalsContact C-N 3.25Å; P210-E212 PolarHBondContact O-N 2.85Å; P210-F213 VanDerWaalsContact O-CB 3.31Å; P210-F213 WeakPolarHBondContact O-CB 3.34Å; P210-F213 PolarHBondContact O-N 2.84Å
211Q74.4Confident87.8Confident99 Ų9943.1 Ų43.146%0.46325%0.248SC..G310 helixtrans-67.9-24.4-178.4-58.682.9-1.900112.9Q209Q209-Q211 PolarHBondContact O-N 3.1Å
212E80.2Confident87.9Confident72 Ų7242.8 Ų42.834%0.33625%0.246SC..G310 helixtrans-91.2-8.7178.8-69-172-123.300113.1S207 Q209 P210 E214 G215 M216S207-E212 WeakPolarHBondContact CB-OE1 3.24Å; S207-E212 WeakPolarHBondContact CB-OE2 3.2Å; S207-E212 PolarHBondContact OG-OE1 3.28Å; S207-E212 PolarHBondContact OG-OE2 3.07Å; Q209-E212 HydrophobicContact CB-CG 4.48Å; Q209-E212 PolarHBondContact O-N 3.09Å; Q209-E212 VanDerWaalsContact O-N 3.09Å; P210-E212 VanDerWaalsContact C-N 3.25Å; P210-E212 PolarHBondContact O-N 2.85Å; E212-E214 PolarHBondContact O-N 3.34Å; E212-G215 PolarHBondContact O-N 3.31Å; E212-M216 HydrophobicContact CB-CE 4.35Å; E212-M216 PolarHBondContact O-N 3.3Å
213F85.9Confident88Confident30 Ų3043.1 Ų43.113%0.13225%0.248CC..Hα-helixtrans-57.1-50.1-173.1179.7-101.7000112.7L64 K68 L69 P210 G215 M216 L217L64-F213 HydrophobicContact CD1-CD2 3.66Å; L64-F213 HydrophobicContact CD1-CE2 3.77Å; K68-F213 HydrophobicContact CB-CE2 3.76Å; K68-F213 HydrophobicContact CB-CZ 4.06Å; K68-F213 HydrophobicContact CD-CE2 4.29Å; L69-F213 HydrophobicContact CD2-CD2 4.02Å; L69-F213 HydrophobicContact CD2-CE2 3.69Å; L69-F213 HydrophobicContact CD2-CZ 4.43Å; L69-F213 HydrophobicContact CG-CE2 4.23Å; P210-F213 VanDerWaalsContact O-CB 3.31Å; P210-F213 WeakPolarHBondContact O-CB 3.34Å; P210-F213 PolarHBondContact O-N 2.84Å; F213-G215 VanDerWaalsContact C-N 3.33Å; F213-G215 PolarHBondContact O-N 2.85Å; F213-M216 PolarHBondContact O-N 3.15Å; F213-L217 HydrophobicContact CE1-CB 4.49Å; F213-L217 HydrophobicContact CE1-CD2 3.98Å; F213-L217 HydrophobicContact CZ-CD2 4.3Å; F213-L217 WeakPolarHBondContact O-CB 3.24Å; F213-L217 PolarHBondContact O-N 2.87Å
214E84.4Confident88.3Confident123 Ų12341.9 Ų41.958%0.57524%0.24SC*.Hα-helixtrans-62.3-40.5-179-70.5-57.9138.600112.2E212 L217 S218E212-E214 PolarHBondContact O-N 3.34Å; E214-L217 PolarHBondContact O-N 2.93Å; E214-S218 VanDerWaalsContact O-CB 3.27Å; E214-S218 WeakPolarHBondContact O-CB 3.45Å; E214-S218 PolarHBondContact O-N 3.42Å
215G85.4Confident88.8Confident27 Ų2737.6 Ų37.628%0.27821%0.205SC..Hα-helixtrans-64-43.3176.700000112.5E212 F213 T219E212-G215 PolarHBondContact O-N 3.31Å; F213-G215 VanDerWaalsContact C-N 3.33Å; F213-G215 PolarHBondContact O-N 2.85Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 2.61Å; G215-T219 PolarHBondContact O-OG1 3.31Å
216M89.4Confident89.3Confident13 Ų1335 Ų356%0.06419%0.191CC..Hα-helixtrans-67.1-44.8175-71.1-174.5-6400112.1L64 L69 S207 E212 F213 S218 T219 V220L64-M216 HydrophobicContact CD2-CE 3.88Å; L64-M216 HydrophobicContact CD2-SD 4.39Å; L69-M216 HydrophobicContact CD1-CB 4.43Å; L69-M216 HydrophobicContact CD1-SD 4.44Å; L69-M216 HydrophobicContact CD2-CB 3.85Å; S207-M216 WeakPolarHBondContact O-CE 3.33Å; E212-M216 HydrophobicContact CB-CE 4.35Å; E212-M216 PolarHBondContact O-N 3.3Å; F213-M216 PolarHBondContact O-N 3.15Å; M216-S218 VanDerWaalsContact C-N 3.27Å; M216-S218 PolarHBondContact O-N 2.99Å; M216-T219 WeakPolarHBondContact O-CB 3.22Å; M216-T219 PolarHBondContact O-N 3.2Å; M216-T219 VanDerWaalsContact O-N 3.13Å; M216-V220 WeakPolarHBondContact O-CG2 3.35Å; M216-V220 PolarHBondContact O-N 3.43Å
217L93.1Very high89.7Confident12 Ų1234.8 Ų34.86%0.06319%0.191CC..Hα-helixtrans-59.4-42.6177.9177.861.5000110.6L69 Q72 A73 F213 E214 V220 K221L69-L217 HydrophobicContact CD2-CB 4.13Å; L69-L217 WeakPolarHBondContact O-CD1 3.4Å; Q72-L217 HydrophobicContact CB-CD1 3.9Å; Q72-L217 HydrophobicContact CB-CD2 4.43Å; A73-L217 HydrophobicContact CB-CD1 4.03Å; F213-L217 HydrophobicContact CE1-CB 4.49Å; F213-L217 HydrophobicContact CE1-CD2 3.98Å; F213-L217 HydrophobicContact CZ-CD2 4.3Å; F213-L217 WeakPolarHBondContact O-CB 3.24Å; F213-L217 PolarHBondContact O-N 2.87Å; E214-L217 PolarHBondContact O-N 2.93Å; L217-V220 PolarHBondContact O-N 3.47Å; L217-K221 WeakPolarHBondContact O-CE 3.38Å; L217-K221 WeakPolarHBondContact O-CG 3.42Å; L217-K221 PolarHBondContact O-N 3.48Å; L217-K221 VanDerWaalsContact O-N 3.07Å
218S92.8Very high90.3Very high11 Ų1134 Ų348%0.07719%0.185CC..Hα-helixtrans-62.7-42.6174.5-168.70000112.5E214 M216 K221 H222 R347E214-S218 VanDerWaalsContact O-CB 3.27Å; E214-S218 WeakPolarHBondContact O-CB 3.45Å; E214-S218 PolarHBondContact O-N 3.42Å; M216-S218 VanDerWaalsContact C-N 3.27Å; M216-S218 PolarHBondContact O-N 2.99Å; S218-K221 PolarHBondContact O-N 2.89Å; S218-H222 WeakPolarHBondContact O-CB 3.42Å; S218-H222 PolarHBondContact O-N 2.84Å; S218-R347 VanDerWaalsContact OG-CB 3.28Å; S218-R347 WeakPolarHBondContact OG-CB 3.42Å; S218-R347 WeakPolarHBondContact OG-CD 3.43Å
219T92.1Very high90.9Very high22 Ų2231 Ų3114%0.13516%0.164CC..Hα-helixtrans-63-45.7175.8-56.60000111.6V179 G215 M216 K221 H222 E223 R347V179-T219 HydrophobicContact CB-CG2 4.39Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 2.61Å; G215-T219 PolarHBondContact O-OG1 3.31Å; M216-T219 WeakPolarHBondContact O-CB 3.22Å; M216-T219 PolarHBondContact O-N 3.2Å; M216-T219 VanDerWaalsContact O-N 3.13Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.06Å; T219-H222 WeakPolarHBondContact O-CB 3.06Å; T219-H222 PolarHBondContact O-N 3.22Å; T219-H222 VanDerWaalsContact O-N 3.17Å; T219-E223 HydrophobicContact CG2-CG 4.43Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.26Å; T219-R347 PolarHBondContact OG1-NH1 3.13Å
220V95.3Very high91.7Very high5 Ų526.4 Ų26.43%0.0314%0.143CC..Hα-helixtrans-60.6-41.8177.31720000111.4F70 A73 M216 L217 E223 I224F70-V220 HydrophobicContact CD1-CG1 4Å; F70-V220 HydrophobicContact CE1-CG1 3.88Å; F70-V220 HydrophobicContact CG-CG1 4.41Å; F70-V220 HydrophobicContact CZ-CG1 4.21Å; A73-V220 HydrophobicContact CB-CB 4.48Å; A73-V220 HydrophobicContact CB-CG1 3.78Å; M216-V220 WeakPolarHBondContact O-CG2 3.35Å; M216-V220 PolarHBondContact O-N 3.43Å; L217-V220 PolarHBondContact O-N 3.47Å; V220-E223 PolarHBondContact O-N 2.76Å; V220-I224 HydrophobicContact CG1-CD1 3.64Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CD1 3.4Å; V220-I224 VanDerWaalsContact O-CG1 3.22Å; V220-I224 WeakPolarHBondContact O-CG1 3.4Å; V220-I224 PolarHBondContact O-N 2.73Å
221K96.9Very high92.6Very high24 Ų2421.3 Ų21.310%0.10411%0.11CC..Hα-helixtrans-61.1-45.9174.6-73.5178.9-64.7-178.40111.8A73 Y76 L217 S218 T219 I224 I225 F349A73-K221 HydrophobicContact CB-CG 3.68Å; Y76-K221 HydrophobicContact CD1-CD 3.8Å; Y76-K221 HydrophobicContact CD1-CG 4.49Å; Y76-K221 HydrophobicContact CE1-CD 4.41Å; Y76-K221 HydrophobicContact CG-CD 4.13Å; L217-K221 WeakPolarHBondContact O-CE 3.38Å; L217-K221 WeakPolarHBondContact O-CG 3.42Å; L217-K221 PolarHBondContact O-N 3.48Å; L217-K221 VanDerWaalsContact O-N 3.07Å; S218-K221 PolarHBondContact O-N 2.89Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.06Å; K221-I224 PolarHBondContact O-N 2.04Å; K221-I225 WeakPolarHBondContact O-CG1 3.24Å; K221-I225 PolarHBondContact O-N 2.61Å; K221-F349 HydrophobicContact CB-CE1 3.88Å; K221-F349 HydrophobicContact CB-CE2 4.12Å; K221-F349 HydrophobicContact CB-CZ 3.37Å; K221-F349 HydrophobicContact CD-CE2 4.08Å; K221-F349 HydrophobicContact CD-CZ 4.16Å; K221-F349 VanDerWaalsContact CE-CE2 3.45Å; K221-F349 HydrophobicContact CG-CZ 4.38Å
222H96.4Very high93.6Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-55.6-52176.6173.1103.1000111.6C12 S218 T219 I224 I225 H226 H328 A338 M339C12-H222 PolarHBondContact SG-NE2 3.33Å; S218-H222 WeakPolarHBondContact O-CB 3.42Å; S218-H222 PolarHBondContact O-N 2.84Å; T219-H222 WeakPolarHBondContact O-CB 3.06Å; T219-H222 PolarHBondContact O-N 3.22Å; T219-H222 VanDerWaalsContact O-N 3.17Å; H222-I224 PolarHBondContact O-N 3.21Å; H222-I225 WeakPolarHBondContact O-CB 3.46Å; H222-I225 PolarHBondContact O-N 2.95Å; H222-I225 VanDerWaalsContact O-N 3.13Å; H222-H226 AromaticContact CD2-CD2 3.89Å; H222-H226 AromaticContact CD2-NE2 3.62Å; H222-H226 AromaticContact CE1-NE2 3.84Å; H222-H226 AromaticContact NE2-CD2 3.93Å; H222-H226 AromaticContact NE2-NE2 3.19Å; H222-H226 PolarHBondContact NE2-NE2 2.91Å; H222-H226 VanDerWaalsContact NE2-NE2 3.19Å; H222-H226 PolarHBondContact O-N 2.85Å; H222-H328 AromaticContact CE1-CD2 3.52Å; H222-H328 AromaticContact CE1-NE2 3.56Å; H222-H328 AromaticContact NE2-CD2 3.83Å; H222-H328 AromaticContact NE2-NE2 3.36Å; H222-H328 PolarHBondContact NE2-NE2 2.66Å; H222-A338 PolarHBondContact ND1-O 2.86Å; H222-M339 HydrophobicContact CB-SD 4.26Å
223E96.3Very high94.4Very high9 Ų913.3 Ų13.34%0.0427%0.073CC..Hα-helixtrans-59.1-45.9178.8-65.7-49.1143.600111.6A180 Y181 A182 T219 V220 I225 H226 A227A180-E223 HydrophobicContact CB-CG 4.04Å; Y181-E223 VanDerWaalsContact CA-OE2 3.29Å; Y181-E223 WeakPolarHBondContact CA-OE2 3.04Å; A182-E223 HydrophobicContact CB-CB 3.65Å; A182-E223 WeakPolarHBondContact CB-O 3.4Å; A182-E223 PolarHBondContact N-OE2 3.03Å; A182-E223 VanDerWaalsContact N-OE2 3.12Å; T219-E223 HydrophobicContact CG2-CG 4.43Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.26Å; V220-E223 PolarHBondContact O-N 2.76Å; E223-I225 VanDerWaalsContact C-N 3.26Å; E223-I225 PolarHBondContact O-N 3.27Å; E223-H226 WeakPolarHBondContact O-CB 3.11Å; E223-H226 PolarHBondContact O-N 2.96Å; E223-H226 VanDerWaalsContact O-N 3.07Å; E223-H226 IonicContact OE2-CD2 2.85Å; E223-A227 PolarHBondContact O-N 3.41Å
224I98.1Very high95Very high0 Ų011.9 Ų11.90%07%0.067CC..Hα-helixtrans-64.6-31.9-179.7-63.4164.6000111.4F70 A73 I74 L77 L163 V220 K221 H222 H226 A227 L228F70-I224 HydrophobicContact CD1-CD1 4.09Å; F70-I224 HydrophobicContact CE1-CD1 4.12Å; A73-I224 HydrophobicContact CB-CD1 4.21Å; I74-I224 HydrophobicContact CD1-CD1 3.91Å; I74-I224 HydrophobicContact CD1-CG2 4.37Å; L77-I224 HydrophobicContact CD1-CB 3.78Å; L77-I224 HydrophobicContact CD1-CD1 4.35Å; L77-I224 HydrophobicContact CD1-CG2 3.33Å; L163-I224 HydrophobicContact CD2-CD1 3.83Å; L163-I224 HydrophobicContact CD2-CG1 3.94Å; V220-I224 HydrophobicContact CG1-CD1 3.64Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CD1 3.4Å; V220-I224 VanDerWaalsContact O-CG1 3.22Å; V220-I224 WeakPolarHBondContact O-CG1 3.4Å; V220-I224 PolarHBondContact O-N 2.73Å; K221-I224 PolarHBondContact O-N 2.04Å; H222-I224 PolarHBondContact O-N 3.21Å; I224-H226 VanDerWaalsContact C-N 3.31Å; I224-H226 PolarHBondContact O-N 2.81Å; I224-A227 CarbonylContact O-C 3.52Å; I224-A227 WeakPolarHBondContact O-CB 3.1Å; I224-A227 PolarHBondContact O-N 2.76Å; I224-A227 VanDerWaalsContact O-N 3.11Å; I224-L228 HydrophobicContact CG2-CD1 3.91Å; I224-L228 HydrophobicContact CG2-CG 4.06Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.14Å; I224-L228 PolarHBondContact O-N 2.97Å
225I98.2Very high95.6Very high1 Ų16 Ų61%0.0054%0.039CC..Hα-helixtrans-63.6-35.8174.3-71.5176.9000111.7L77 K221 H222 E223 A227 L228 G229 F230 M339 F349 T353 M357L77-I225 HydrophobicContact CD2-CD1 4.25Å; L77-I225 HydrophobicContact CD2-CG1 3.85Å; K221-I225 WeakPolarHBondContact O-CG1 3.24Å; K221-I225 PolarHBondContact O-N 2.61Å; H222-I225 WeakPolarHBondContact O-CB 3.46Å; H222-I225 PolarHBondContact O-N 2.95Å; H222-I225 VanDerWaalsContact O-N 3.13Å; E223-I225 VanDerWaalsContact C-N 3.26Å; E223-I225 PolarHBondContact O-N 3.27Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.84Å; I225-L228 PolarHBondContact O-N 3.35Å; I225-G229 PolarHBondContact O-N 3.44Å; I225-F230 HydrophobicContact CG2-CB 3.74Å; I225-F230 PolarHBondContact O-N 3.49Å; I225-F230 VanDerWaalsContact O-N 3.08Å; I225-M339 HydrophobicContact CB-CE 4.09Å; I225-M339 HydrophobicContact CB-SD 3.86Å; I225-M339 HydrophobicContact CD1-SD 3.99Å; I225-M339 HydrophobicContact CG2-CE 3.75Å; I225-M339 HydrophobicContact CG2-CG 4.3Å; I225-M339 HydrophobicContact CG2-SD 3.72Å; I225-F349 HydrophobicContact CD1-CD1 3.74Å; I225-F349 HydrophobicContact CD1-CE1 3.54Å; I225-T353 HydrophobicContact CD1-CG2 3.71Å; I225-M357 HydrophobicContact CG2-CG 4.44Å; I225-M357 HydrophobicContact CG2-SD 3.92Å
226H98.1Very high96.2Very high0 Ų04.8 Ų4.80%03%0.026CC..Hα-helixtrans-61-41.3170.8-68.9-52.2000112.4H14 H222 E223 I224 L228 F230 N327 H328 M339H14-H226 AromaticContact CD2-CG 3.95Å; H14-H226 AromaticContact CD2-ND1 3.88Å; H14-H226 AromaticContact CG-CD2 3.86Å; H14-H226 AromaticContact CG-CG 3.9Å; H222-H226 AromaticContact CD2-CD2 3.89Å; H222-H226 AromaticContact CD2-NE2 3.62Å; H222-H226 AromaticContact CE1-NE2 3.84Å; H222-H226 AromaticContact NE2-CD2 3.93Å; H222-H226 AromaticContact NE2-NE2 3.19Å; H222-H226 PolarHBondContact NE2-NE2 2.91Å; H222-H226 VanDerWaalsContact NE2-NE2 3.19Å; H222-H226 PolarHBondContact O-N 2.85Å; E223-H226 WeakPolarHBondContact O-CB 3.11Å; E223-H226 PolarHBondContact O-N 2.96Å; E223-H226 VanDerWaalsContact O-N 3.07Å; E223-H226 IonicContact OE2-CD2 2.85Å; I224-H226 VanDerWaalsContact C-N 3.31Å; I224-H226 PolarHBondContact O-N 2.81Å; H226-L228 VanDerWaalsContact C-N 3.31Å; H226-L228 PolarHBondContact O-N 2.86Å; H226-F230 WeakPolarHBondContact CA-O 3.32Å; H226-F230 PolarHBondContact ND1-O 2.84Å; H226-N327 PolarHBondContact CE1-O 3.15Å; H226-N327 VanDerWaalsContact CE1-O 3.24Å; H226-H328 AromaticContact CE1-CD2 3.85Å; H226-H328 AromaticContact CE1-NE2 3.57Å; H226-H328 AromaticContact NE2-CD2 3.94Å; H226-H328 AromaticContact NE2-NE2 3.31Å; H226-H328 PolarHBondContact NE2-NE2 3.01Å; H226-M339 VanDerWaalsContact CE1-CE 3.48Å; H226-M339 WeakPolarHBondContact CE1-CE 3.43Å
227A98.2Very high96.6Very high0 Ų04.1 Ų4.10%02%0.023CC..Hα-helixtrans-69.9-27.5176.900000113.2F161 A182 A183 P194 E223 I224 I225F161-A227 HydrophobicContact CZ-CB 4.17Å; A182-A227 HydrophobicContact CB-CB 4.34Å; A183-A227 WeakPolarHBondContact O-CB 3.46Å; P194-A227 WeakPolarHBondContact CB-O 3.11Å; E223-A227 PolarHBondContact O-N 3.41Å; I224-A227 CarbonylContact O-C 3.52Å; I224-A227 WeakPolarHBondContact O-CB 3.1Å; I224-A227 PolarHBondContact O-N 2.76Å; I224-A227 VanDerWaalsContact O-N 3.11Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.84Å
228L98.1Very high96.9Very high0 Ų03.6 Ų3.60%02%0.02CC..Hα-helixtrans-87.4-31-178.7-72.1176.2000113.7I46 L77 F161 I224 I225 H226 M357 Y363I46-L228 HydrophobicContact CD1-CD1 4.18Å; I46-L228 HydrophobicContact CD1-CD2 4.36Å; L77-L228 HydrophobicContact CD1-CD1 4.09Å; L77-L228 HydrophobicContact CD2-CD1 4.4Å; F161-L228 HydrophobicContact CB-CD2 4.47Å; F161-L228 HydrophobicContact CD1-CD2 4.01Å; F161-L228 HydrophobicContact CD2-CD2 3.88Å; F161-L228 HydrophobicContact CE1-CD2 4.15Å; F161-L228 HydrophobicContact CE2-CD2 4.02Å; F161-L228 HydrophobicContact CG-CD2 3.87Å; F161-L228 HydrophobicContact CZ-CD2 4.14Å; I224-L228 HydrophobicContact CG2-CD1 3.91Å; I224-L228 HydrophobicContact CG2-CG 4.06Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.14Å; I224-L228 PolarHBondContact O-N 2.97Å; I225-L228 PolarHBondContact O-N 3.35Å; H226-L228 VanDerWaalsContact C-N 3.31Å; H226-L228 PolarHBondContact O-N 2.86Å; L228-M357 HydrophobicContact CB-CE 3.57Å; L228-Y363 WeakPolarHBondContact O-CE2 3.36Å; L228-Y363 PolarHBondContact O-OH 2.75Å
229G96.8Very high97.1Very high0 Ų03.2 Ų3.20%02%0.017CC..THydrogen-bonded Turntrans174.3-18.8176.300000120.5I225 S231 Y238I225-G229 PolarHBondContact O-N 3.44Å; G229-S231 PolarHBondContact O-N 2.83Å; G229-S231 VanDerWaalsContact O-N 3.15Å; G229-Y238 PolarHBondContact O-OH 3.47Å
230F98Very high97.3Very high0 Ų04.1 Ų4.10%02%0.021CC..  trans-8687.1176.9-163.6147.6000109.7I225 H226 F235 L316 N327 W329 M339 I356 M357I225-F230 HydrophobicContact CG2-CB 3.74Å; I225-F230 PolarHBondContact O-N 3.49Å; I225-F230 VanDerWaalsContact O-N 3.08Å; H226-F230 WeakPolarHBondContact CA-O 3.32Å; H226-F230 PolarHBondContact ND1-O 2.84Å; F230-F235 HydrophobicContact CD2-CE1 4.12Å; F230-F235 AromaticContact CD2-CZ 3.9Å; F230-F235 HydrophobicContact CD2-CZ 3.9Å; F230-F235 HydrophobicContact CE2-CE1 4.42Å; F230-F235 AromaticContact CE2-CZ 3.87Å; F230-F235 HydrophobicContact CE2-CZ 3.87Å; F230-L316 HydrophobicContact CE2-CD2 4.09Å; F230-L316 HydrophobicContact CZ-CD2 4.04Å; F230-N327 VanDerWaalsContact CD2-O 3.31Å; F230-N327 WeakPolarHBondContact CD2-O 3.25Å; F230-N327 WeakPolarHBondContact CE2-O 3.48Å; F230-W329 AromaticContact CE1-CD1 3.98Å; F230-W329 AromaticContact CE1-CD2 3.84Å; F230-W329 HydrophobicContact CE1-CD2 3.84Å; F230-W329 AromaticContact CE1-CE2 3.37Å; F230-W329 HydrophobicContact CE1-CE3 4.47Å; F230-W329 HydrophobicContact CE1-CG 4.2Å; F230-W329 HydrophobicContact CE1-CH2 4.25Å; F230-W329 AromaticContact CE1-CZ2 3.61Å; F230-W329 HydrophobicContact CE1-CZ2 3.61Å; F230-W329 AromaticContact CE1-NE1 3.5Å; F230-W329 AromaticContact CZ-CD2 3.75Å; F230-W329 HydrophobicContact CZ-CD2 3.75Å; F230-W329 AromaticContact CZ-CE2 3.76Å; F230-W329 HydrophobicContact CZ-CE3 4.03Å; F230-W329 HydrophobicContact CZ-CG 4.18Å; F230-W329 HydrophobicContact CZ-CH2 4.26Å; F230-W329 HydrophobicContact CZ-CZ2 4.03Å; F230-W329 HydrophobicContact CZ-CZ3 4.26Å; F230-M339 HydrophobicContact CB-CE 4.34Å; F230-M339 HydrophobicContact CD1-CB 4.06Å; F230-M339 HydrophobicContact CD1-CE 4.31Å; F230-M339 HydrophobicContact CD1-CG 4.04Å; F230-M339 HydrophobicContact CE1-CB 3.84Å; F230-M339 HydrophobicContact CE1-CG 4.29Å; F230-M339 HydrophobicContact CG-CE 4.35Å; F230-I356 HydrophobicContact CD1-CD1 3.67Å; F230-I356 HydrophobicContact CD1-CG2 3.61Å; F230-I356 HydrophobicContact CD2-CD1 3.94Å; F230-I356 HydrophobicContact CE1-CD1 3.64Å; F230-I356 HydrophobicContact CE1-CG2 3.91Å; F230-I356 HydrophobicContact CE2-CD1 3.91Å; F230-I356 HydrophobicContact CG-CD1 3.81Å; F230-I356 HydrophobicContact CG-CG2 4.45Å; F230-I356 HydrophobicContact CZ-CD1 3.75Å; F230-M357 HydrophobicContact CB-SD 4.39Å
231S96.9Very high97.1Very high0 Ų07.5 Ų7.50%04%0.039CC..SBendtrans-154.8145173.1-179.40000110.5H14 G229 G233 L234 F235 N327H14-S231 PolarHBondContact NE2-OG 3.12Å; G229-S231 PolarHBondContact O-N 2.83Å; G229-S231 VanDerWaalsContact O-N 3.15Å; S231-G233 PolarHBondContact O-N 3.09Å; S231-G233 VanDerWaalsContact O-N 3.11Å; S231-L234 WeakPolarHBondContact O-CB 3.33Å; S231-L234 PolarHBondContact O-N 2.98Å; S231-F235 WeakPolarHBondContact O-CD1 3.32Å; S231-F235 PolarHBondContact O-N 3.2Å; S231-N327 PolarHBondContact OG-OD1 2.97Å
232A95.9Very high96.9Very high1 Ų114 Ų141%0.0087%0.07CC..THydrogen-bonded Turntrans-55.4-31.6178.700000113V16 L234 F235 L263 L326 N327V16-A232 HydrophobicContact CG2-CB 4.31Å; A232-L234 PolarHBondContact O-N 2.81Å; A232-F235 HydrophobicContact CB-CD2 4.42Å; A232-F235 HydrophobicContact CB-CE2 4.23Å; A232-L263 HydrophobicContact CB-CD1 3.73Å; A232-L326 HydrophobicContact CB-CB 3.85Å; A232-N327 WeakPolarHBondContact CB-OD1 3.14Å; A232-N327 PolarHBondContact N-OD1 3.24Å
233G95.7Very high96.7Very high2 Ų215.2 Ų15.22%0.0218%0.082CC..THydrogen-bonded Turntrans-75.4-5.7175.700000115.6Y184 S231 F237Y184-G233 VanDerWaalsContact OH-CA 3.25Å; Y184-G233 WeakPolarHBondContact OH-CA 3.39Å; Y184-G233 PolarHBondContact OH-O 2.88Å; S231-G233 PolarHBondContact O-N 3.09Å; S231-G233 VanDerWaalsContact O-N 3.11Å; G233-F237 WeakPolarHBondContact O-CD2 3.48Å; G233-F237 WeakPolarHBondContact O-CE2 3.19Å
234L97.9Very high96.7Very high0 Ų021.4 Ų21.40%011%0.109CC..THydrogen-bonded Turntrans-109.3-20.3-178.9-70.9-179.6000114Y184 L187 P194 S231 A232 A236 F237 Y238 W362Y184-L234 HydrophobicContact CD1-CD1 3.57Å; Y184-L234 HydrophobicContact CD1-CD2 4.03Å; Y184-L234 HydrophobicContact CD1-CG 3.81Å; Y184-L234 HydrophobicContact CD2-CD2 3.87Å; Y184-L234 HydrophobicContact CE1-CD1 3.71Å; Y184-L234 HydrophobicContact CE1-CD2 3.79Å; Y184-L234 HydrophobicContact CE1-CG 3.43Å; Y184-L234 VanDerWaalsContact CE1-CG 3.43Å; Y184-L234 HydrophobicContact CE2-CD2 3.57Å; Y184-L234 HydrophobicContact CE2-CG 4.19Å; Y184-L234 HydrophobicContact CG-CD1 4.14Å; Y184-L234 HydrophobicContact CG-CD2 4.08Å; Y184-L234 HydrophobicContact CG-CG 4.36Å; L187-L234 HydrophobicContact CD1-CD2 4.03Å; L187-L234 HydrophobicContact CD2-CD2 3.71Å; P194-L234 HydrophobicContact CG-CD1 3.89Å; P194-L234 HydrophobicContact CG-CD2 4.31Å; S231-L234 WeakPolarHBondContact O-CB 3.33Å; S231-L234 PolarHBondContact O-N 2.98Å; A232-L234 PolarHBondContact O-N 2.81Å; L234-A236 VanDerWaalsContact C-N 3.26Å; L234-A236 PolarHBondContact O-N 3.46Å; L234-F237 WeakPolarHBondContact O-CA 3.5Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 PolarHBondContact O-N 3.12Å; L234-Y238 HydrophobicContact CB-CE1 4.36Å; L234-Y238 WeakPolarHBondContact O-CD1 3.42Å; L234-W362 HydrophobicContact CB-CH2 4.04Å; L234-W362 HydrophobicContact CD1-CH2 4.23Å; L234-W362 HydrophobicContact CD1-CZ3 4.21Å; L234-W362 HydrophobicContact CD2-CH2 4.12Å; L234-W362 HydrophobicContact CG-CH2 4.36Å
235F98.2Very high96.7Very high0 Ų023.5 Ų23.50%012%0.123CC..G310 helixtrans-58.9-35.4-176-60-32.1000113.7F230 S231 A232 F237 Y238 W266 V270 I271 L293 L316 L326 I356F230-F235 HydrophobicContact CD2-CE1 4.12Å; F230-F235 AromaticContact CD2-CZ 3.9Å; F230-F235 HydrophobicContact CD2-CZ 3.9Å; F230-F235 HydrophobicContact CE2-CE1 4.42Å; F230-F235 AromaticContact CE2-CZ 3.87Å; F230-F235 HydrophobicContact CE2-CZ 3.87Å; S231-F235 WeakPolarHBondContact O-CD1 3.32Å; S231-F235 PolarHBondContact O-N 3.2Å; A232-F235 HydrophobicContact CB-CD2 4.42Å; A232-F235 HydrophobicContact CB-CE2 4.23Å; F235-F237 PolarHBondContact O-N 3.32Å; F235-Y238 HydrophobicContact CD1-CE1 4.18Å; F235-Y238 HydrophobicContact CD1-CE2 4Å; F235-Y238 AromaticContact CD1-CZ 3.67Å; F235-Y238 PolarHBondContact O-N 2.79Å; F235-W266 HydrophobicContact CB-CB 4.3Å; F235-W266 HydrophobicContact CB-CE3 4.5Å; F235-V270 HydrophobicContact CB-CG1 4.05Å; F235-I271 HydrophobicContact CB-CD1 4.09Å; F235-I271 HydrophobicContact CD2-CD1 3.24Å; F235-I271 HydrophobicContact CE2-CD1 3.75Å; F235-I271 HydrophobicContact CG-CD1 3.84Å; F235-L293 HydrophobicContact CE1-CD1 4.27Å; F235-L293 HydrophobicContact CZ-CD1 4.42Å; F235-L316 HydrophobicContact CE2-CD1 3.98Å; F235-L316 HydrophobicContact CZ-CD1 4.48Å; F235-L326 VanDerWaalsContact CE2-O 3.24Å; F235-L326 WeakPolarHBondContact CE2-O 3.36Å; F235-I356 HydrophobicContact CE1-CD1 3.98Å
236A97.8Very high96.7Very high0 Ų025.3 Ų25.30%013%0.133CC..G310 helixtrans-66.4-15.5175.400000113.8L234 T247 P255 Y264 W266L234-A236 VanDerWaalsContact C-N 3.26Å; L234-A236 PolarHBondContact O-N 3.46Å; A236-T247 WeakPolarHBondContact O-CB 3.4Å; A236-T247 PolarHBondContact O-OG1 2.87Å; A236-P255 HydrophobicContact CB-CB 4.02Å; A236-P255 HydrophobicContact CB-CG 3.95Å; A236-P255 WeakPolarHBondContact O-CG 3.44Å; A236-Y264 WeakPolarHBondContact CB-O 3.47Å; A236-W266 HydrophobicContact CB-CB 4.34Å
237F98Very high96.6Very high0 Ų025.7 Ų25.70%014%0.135CC..G310 helixtrans-101.76.7-178.2-62.6-81.3000113.3H24 D192 G233 L234 F235 H239 L254 P255 Y264 W362H24-F237 AromaticContact CE1-CE2 3.95Å; H24-F237 AromaticContact CE1-CZ 3.46Å; H24-F237 VanDerWaalsContact CE1-CZ 3.46Å; H24-F237 WeakPolarHBondContact CE1-CZ 3.44Å; H24-F237 AromaticContact ND1-CE1 3.83Å; H24-F237 AromaticContact ND1-CZ 3.64Å; D192-F237 HydrophobicContact CB-CB 3.82Å; D192-F237 HydrophobicContact CB-CD1 3.79Å; D192-F237 HydrophobicContact CB-CG 4.17Å; G233-F237 WeakPolarHBondContact O-CD2 3.48Å; G233-F237 WeakPolarHBondContact O-CE2 3.19Å; L234-F237 WeakPolarHBondContact O-CA 3.5Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 PolarHBondContact O-N 3.12Å; F235-F237 PolarHBondContact O-N 3.32Å; F237-H239 PolarHBondContact O-CE1 3.03Å; F237-H239 PolarHBondContact O-ND1 3.21Å; F237-L254 HydrophobicContact CE1-CD2 3.97Å; F237-P255 HydrophobicContact CD1-CG 4.12Å; F237-P255 HydrophobicContact CE1-CG 3.91Å; F237-P255 HydrophobicContact CZ-CG 4.24Å; F237-Y264 AromaticContact CE2-CD2 3.46Å; F237-Y264 HydrophobicContact CE2-CD2 3.46Å; F237-Y264 VanDerWaalsContact CE2-CD2 3.46Å; F237-Y264 HydrophobicContact CE2-CE2 4.11Å; F237-Y264 AromaticContact CE2-CG 3.71Å; F237-Y264 HydrophobicContact CE2-CG 3.71Å; F237-Y264 HydrophobicContact CZ-CD1 4.02Å; F237-Y264 AromaticContact CZ-CD2 3.45Å; F237-Y264 HydrophobicContact CZ-CD2 3.45Å; F237-Y264 VanDerWaalsContact CZ-CD2 3.45Å; F237-Y264 HydrophobicContact CZ-CE1 4.27Å; F237-Y264 AromaticContact CZ-CE2 3.73Å; F237-Y264 HydrophobicContact CZ-CE2 3.73Å; F237-Y264 AromaticContact CZ-CG 3.59Å; F237-Y264 HydrophobicContact CZ-CG 3.59Å; F237-W362 HydrophobicContact CB-CZ2 4.18Å
238Y98.3Very high96.6Very high0 Ų030.6 Ų30.60%017%0.166CC..  trans-69.1149.1177.5-7510.4000111.9G229 L234 F235 L246 V270 I356 S360 W362G229-Y238 PolarHBondContact O-OH 3.47Å; L234-Y238 HydrophobicContact CB-CE1 4.36Å; L234-Y238 WeakPolarHBondContact O-CD1 3.42Å; F235-Y238 HydrophobicContact CD1-CE1 4.18Å; F235-Y238 HydrophobicContact CD1-CE2 4Å; F235-Y238 AromaticContact CD1-CZ 3.67Å; F235-Y238 PolarHBondContact O-N 2.79Å; Y238-L246 PolarHBondContact O-N 2.82Å; Y238-V270 HydrophobicContact CD2-CG1 4.12Å; Y238-I356 HydrophobicContact CE2-CG1 4.21Å; Y238-S360 WeakPolarHBondContact CA-O 3.49Å; Y238-W362 HydrophobicContact CD1-CH2 4.04Å; Y238-W362 HydrophobicContact CD1-CZ2 4.29Å; Y238-W362 HydrophobicContact CD1-CZ3 4.47Å; Y238-W362 AromaticContact CE1-CH2 3.97Å; Y238-W362 HydrophobicContact CE1-CH2 3.97Å; Y238-W362 HydrophobicContact CE1-CZ3 4.06Å
239H97.5Very high96.4Very high4 Ų433.8 Ų33.82%0.01918%0.178CC..BIsolated β-bridgetrans-121.2154.3179.4-65.471.3000110.8L191 D192 F237 G243 K244 P245 R249 S360 G361 W362L191-H239 PolarHBondContact O-CE1 2.03Å; L191-H239 PolarHBondContact O-ND1 2.78Å; L191-H239 VanDerWaalsContact O-ND1 3.08Å; D192-H239 IonicContact OD2-CE1 2.96Å; D192-H239 PolarHBondContact OD2-CE1 3.25Å; D192-H239 IonicContact OD2-NE2 3.47Å; F237-H239 PolarHBondContact O-CE1 3.03Å; F237-H239 PolarHBondContact O-ND1 3.21Å; H239-G243 PolarHBondContact CD2-O 2.82Å; H239-G243 VanDerWaalsContact CD2-O 3.26Å; H239-K244 CarbonylContact C-O 3.55Å; H239-K244 VanDerWaalsContact CA-O 3.23Å; H239-K244 WeakPolarHBondContact CA-O 3.32Å; H239-K244 WeakPolarHBondContact CB-O 3.38Å; H239-K244 VanDerWaalsContact CD2-C 3.47Å; H239-P245 VanDerWaalsContact CD2-N 3.34Å; H239-R249 PolarHBondContact CE1-NH2 3.15Å; H239-R249 PolarHBondContact NE2-NH2 2.83Å; H239-S360 PolarHBondContact N-O 2.99Å; H239-G361 WeakPolarHBondContact O-CA 3.49Å; H239-W362 AromaticContact ND1-NE1 3.99Å
240D96.2Very high96Very high40 Ų4040.2 Ų40.221%0.21421%0.207CC..  trans-73.7-176.4169.863.721.4000111.9E242 G243 K244 L246D240-E242 PolarHBondContact O-N 3.39Å; D240-E242 PolarHBondContact OD1-N 2.91Å; D240-E242 VanDerWaalsContact OD1-N 3.15Å; D240-G243 PolarHBondContact O-N 3.48Å; D240-G243 PolarHBondContact OD1-N 3.5Å; D240-G243 VanDerWaalsContact OD1-N 3.11Å; D240-K244 PolarHBondContact N-O 3.4Å; D240-K244 WeakPolarHBondContact OD1-CA 3.23Å; D240-K244 WeakPolarHBondContact OD1-CB 3.49Å; D240-K244 PolarHBondContact OD1-N 2.84Å; D240-K244 WeakPolarHBondContact OD2-CB 3.09Å; D240-L246 HydrophobicContact CB-CD2 3.85Å
241D92.6Very high95.4Very high76 Ų7645.6 Ų45.641%0.40625%0.251SS..THydrogen-bonded Turntrans-68.2-23.9-174.8-75.8-18.2000113.6R84 G243 R297R84-D241 IonicContact CZ-OD1 3.32Å; R84-D241 PolarHBondContact NH1-O 2.72Å; R84-D241 IonicContact NH1-OD1 3.04Å; R84-D241 PolarHBondContact NH1-OD1 2.67Å; R84-D241 IonicContact NH2-OD1 2.76Å; R84-D241 PolarHBondContact NH2-OD1 3.37Å; D241-G243 VanDerWaalsContact C-N 3.29Å; D241-R297 VanDerWaalsContact CG-NH2 3.29Å; D241-R297 IonicContact OD1-CZ 2.88Å; D241-R297 IonicContact OD1-NH1 3.92Å; D241-R297 PolarHBondContact OD1-NH1 2.86Å; D241-R297 IonicContact OD1-NH2 3.27Å; D241-R297 PolarHBondContact OD1-NH2 3.46Å; D241-R297 IonicContact OD2-CZ 3.35Å; D241-R297 IonicContact OD2-NH1 2.61Å; D241-R297 PolarHBondContact OD2-NH1 3.4Å; D241-R297 IonicContact OD2-NH2 3.47Å; D241-R297 PolarHBondContact OD2-NH2 2.94Å
242E92.3Very high94.7Very high160 Ų16048.5 Ų48.575%0.74827%0.272SS*.THydrogen-bonded Turntrans-85.2-1.9176.6-63.269.6-147.400112.6D240D240-E242 PolarHBondContact O-N 3.39Å; D240-E242 PolarHBondContact OD1-N 2.91Å; D240-E242 VanDerWaalsContact OD1-N 3.15Å
243G92.2Very high94.3Very high26 Ų2649.4 Ų49.427%0.26828%0.281SS..SBendtrans7821.2-179.300000113.3H239 D240 D241H239-G243 PolarHBondContact CD2-O 2.82Å; H239-G243 VanDerWaalsContact CD2-O 3.26Å; D240-G243 PolarHBondContact O-N 3.48Å; D240-G243 PolarHBondContact OD1-N 3.5Å; D240-G243 VanDerWaalsContact OD1-N 3.11Å; D241-G243 VanDerWaalsContact C-N 3.29Å
244K95.6Very high94.1Very high139 Ų13950.3 Ų50.360%0.60429%0.285SS*.  trans-92.6139.9173.5173.9-169.1176.9-169.40110H239 D240 L246H239-K244 CarbonylContact C-O 3.55Å; H239-K244 VanDerWaalsContact CA-O 3.23Å; H239-K244 WeakPolarHBondContact CA-O 3.32Å; H239-K244 WeakPolarHBondContact CB-O 3.38Å; H239-K244 VanDerWaalsContact CD2-C 3.47Å; D240-K244 PolarHBondContact N-O 3.4Å; D240-K244 WeakPolarHBondContact OD1-CA 3.23Å; D240-K244 WeakPolarHBondContact OD1-CB 3.49Å; D240-K244 PolarHBondContact OD1-N 2.84Å; D240-K244 WeakPolarHBondContact OD2-CB 3.09Å; K244-L246 PolarHBondContact O-N 2.87Å
245P97.4Very high93.9Very high44 Ų4450.5 Ų50.529%0.28629%0.286SS..BIsolated β-bridgetrans-59.8132.9180-23.431.5000113H239 T247H239-P245 VanDerWaalsContact CD2-N 3.34Å; P245-T247 VanDerWaalsContact C-N 3.27Å; P245-T247 WeakPolarHBondContact CB-O 3.21Å
246L97.9Very high93.8Very high40 Ų4052.3 Ų52.321%0.20930%0.301CS..SBendtrans-74.3-22171.6-67177.6000112.3Y238 D240 K244 S267 V270 T295Y238-L246 PolarHBondContact O-N 2.82Å; D240-L246 HydrophobicContact CB-CD2 3.85Å; K244-L246 PolarHBondContact O-N 2.87Å; L246-S267 PolarHBondContact O-OG 2.94Å; L246-V270 HydrophobicContact CB-CG2 3.7Å; L246-V270 HydrophobicContact CD1-CG2 4.01Å; L246-T295 HydrophobicContact CD1-CG2 4.45Å
247T98Very high93.5Very high7 Ų756.3 Ų56.34%0.04332%0.319CS..SBendtrans-107.6132.6179.1-56.80000110.7A236 P245 P255 Q265 S267A236-T247 WeakPolarHBondContact O-CB 3.4Å; A236-T247 PolarHBondContact O-OG1 2.87Å; P245-T247 VanDerWaalsContact C-N 3.27Å; P245-T247 WeakPolarHBondContact CB-O 3.21Å; T247-P255 HydrophobicContact CG2-CB 4Å; T247-P255 HydrophobicContact CG2-CG 4.5Å; T247-Q265 VanDerWaalsContact CG2-O 3.27Å; T247-Q265 WeakPolarHBondContact CG2-O 3.36Å; T247-S267 PolarHBondContact OG1-N 2.78Å
248P96.4Very high93.3Very high103 Ų10358.3 Ų58.367%0.66933%0.329SS*.  trans-57.4147173.8-24.934.6000112.9
249R93.9Very high92.9Very high67 Ų6765.8 Ų65.825%0.25336%0.364SS..  trans-123.7149.6-175.2-62.8177.4-177.5-106.83.1111.8D192 H239 G253 L254D192-R249 IonicContact OD1-NH1 2.77Å; D192-R249 IonicContact OD2-CZ 3.9Å; D192-R249 IonicContact OD2-NH1 3.93Å; D192-R249 PolarHBondContact OD2-NH1 2.98Å; D192-R249 IonicContact OD2-NH2 2.79Å; D192-R249 PolarHBondContact OD2-NH2 2.82Å; H239-R249 PolarHBondContact CE1-NH2 3.15Å; H239-R249 PolarHBondContact NE2-NH2 2.83Å; R249-G253 WeakPolarHBondContact CD-O 3.23Å; R249-G253 PolarHBondContact NH1-O 3.31Å; R249-L254 WeakPolarHBondContact CA-O 3.43Å
250F89.6Confident92.4Very high136 Ų13671.4 Ų71.460%0.59640%0.404SS*.  trans-77.1174.3168.7-70-57.2000111.7S252 G253 L254 A256F250-S252 PolarHBondContact O-N 3.06Å; F250-S252 VanDerWaalsContact O-N 3.09Å; F250-G253 PolarHBondContact O-N 2.8Å; F250-L254 PolarHBondContact N-O 3.37Å; F250-A256 HydrophobicContact CE2-CB 3.61Å; F250-A256 HydrophobicContact CZ-CB 4.07Å
251A84.4Confident91.9Very high112 Ų11273.4 Ų73.493%0.92641%0.414SS*.THydrogen-bonded Turntrans-58.3-22174.800000113.5G253A251-G253 PolarHBondContact O-N 2.02Å
252S82.2Confident91.7Very high62 Ų6271.7 Ų71.743%0.43441%0.414SS..THydrogen-bonded Turntrans-65.1-19.4171.358.20000113.3Q25 F250 L254Q25-S252 PolarHBondContact NE2-O 3.37Å; F250-S252 PolarHBondContact O-N 3.06Å; F250-S252 VanDerWaalsContact O-N 3.09Å; S252-L254 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact OG-N 3.18Å
253G87.4Confident91.8Very high19 Ų1965.1 Ų65.120%0.19638%0.384CS..SBendtrans82.98-172.700000114R249 F250 A251R249-G253 WeakPolarHBondContact CD-O 3.23Å; R249-G253 PolarHBondContact NH1-O 3.31Å; F250-G253 PolarHBondContact O-N 2.8Å; A251-G253 PolarHBondContact O-N 2.02Å
254L91.3Very high91.9Very high21 Ų2165.7 Ų65.711%0.1138%0.379CS..SBendtrans-107.7152.3176.1-61.7173.1000110.8H24 Q25 F237 R249 F250 S252 Y264H24-L254 HydrophobicContact CB-CD2 3.95Å; Q25-L254 HydrophobicContact CG-CD2 4.34Å; F237-L254 HydrophobicContact CE1-CD2 3.97Å; R249-L254 WeakPolarHBondContact CA-O 3.43Å; F250-L254 PolarHBondContact N-O 3.37Å; S252-L254 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact OG-N 3.18Å; L254-Y264 HydrophobicContact CB-CE1 4.12Å; L254-Y264 HydrophobicContact CD1-CE1 4.49Å
255P95.3Very high91.9Very high4 Ų462 Ų623%0.02636%0.363CS..PPolyproline II helixtrans-62169.1168.5-19.632.6000112.1A236 F237 T247 Y264A236-P255 HydrophobicContact CB-CB 4.02Å; A236-P255 HydrophobicContact CB-CG 3.95Å; A236-P255 WeakPolarHBondContact O-CG 3.44Å; F237-P255 HydrophobicContact CD1-CG 4.12Å; F237-P255 HydrophobicContact CE1-CG 3.91Å; F237-P255 HydrophobicContact CZ-CG 4.24Å; T247-P255 HydrophobicContact CG2-CB 4Å; T247-P255 HydrophobicContact CG2-CG 4.5Å; P255-Y264 HydrophobicContact CB-CD1 4.19Å; P255-Y264 WeakPolarHBondContact O-CD1 3.45Å
256A94.9Very high91.9Very high38 Ų3860.8 Ų60.831%0.31435%0.353SS..PPolyproline II helixtrans-66.4139.2172.400000111.1F250 Y264 Q265F250-A256 HydrophobicContact CE2-CB 3.61Å; F250-A256 HydrophobicContact CZ-CB 4.07Å; A256-Y264 CarbonylContact O-C 3.38Å; A256-Y264 WeakPolarHBondContact O-CA 3.26Å; A256-Q265 PolarHBondContact O-N 3.16Å
257F92.8Very high91.9Very high84 Ų8460 Ų6037%0.36835%0.351SS..EExtended strand (participates in β ladder)trans-92.9131.5174.8-168.4-101.9000109.9E259 G262 Y264F257-E259 HydrophobicContact CD1-CG 4.36Å; F257-G262 VanDerWaalsContact CZ-C 3.41Å; F257-Y264 HydrophobicContact CB-CD1 4.36Å; F257-Y264 HydrophobicContact CB-CE1 4.37Å; F257-Y264 HydrophobicContact CD2-CD1 4.12Å; F257-Y264 HydrophobicContact CD2-CD2 4.13Å; F257-Y264 HydrophobicContact CD2-CE1 4.16Å; F257-Y264 HydrophobicContact CD2-CE2 4.18Å; F257-Y264 HydrophobicContact CD2-CG 4.12Å
258N92.6Very high91.9Very high43 Ų4365.1 Ų65.123%0.2338%0.375CS..EExtended strand (participates in β ladder)trans-101.9103.9176.8-176.4-31.6000109S260 L261 G262 L263 Q265N258-S260 VanDerWaalsContact C-N 3.26Å; N258-S260 PolarHBondContact O-N 2.8Å; N258-S260 WeakPolarHBondContact OD1-CB 3.15Å; N258-S260 PolarHBondContact OD1-N 2.9Å; N258-L261 HydrophobicContact CB-CB 4.26Å; N258-L261 HydrophobicContact CB-CD1 4.38Å; N258-L261 HydrophobicContact CB-CG 4.47Å; N258-L261 PolarHBondContact O-N 3.43Å; N258-L261 PolarHBondContact OD1-N 2.96Å; N258-L261 VanDerWaalsContact OD1-N 3.15Å; N258-G262 WeakPolarHBondContact O-CA 3.13Å; N258-G262 PolarHBondContact O-N 3.48Å; N258-L263 PolarHBondContact N-O 3.28Å; N258-L263 PolarHBondContact O-N 2.59Å; N258-Q265 HydrophobicContact CB-CB 4.3Å; N258-Q265 PolarHBondContact ND2-OE1 2.85Å
259E89.5Confident91.9Very high157 Ų15762.4 Ų62.473%0.73436%0.361SS*.THydrogen-bonded Turntrans-61.4-32.2-178.5-64-66.5169.400113F257 G262F257-E259 HydrophobicContact CD1-CG 4.36Å; E259-G262 PolarHBondContact O-N 3.27Å
260S88.1Confident92.1Very high121 Ų12159.2 Ų59.285%0.84635%0.349SS*.THydrogen-bonded Turntrans-70.5-35.2179.5-56.20000112.3N258N258-S260 VanDerWaalsContact C-N 3.26Å; N258-S260 PolarHBondContact O-N 2.8Å; N258-S260 WeakPolarHBondContact OD1-CB 3.15Å; N258-S260 PolarHBondContact OD1-N 2.9Å
261L85.6Confident92.6Very high82 Ų8252.8 Ų52.843%0.42932%0.32SS..THydrogen-bonded Turntrans-86.5-21.9175.1-63.9178.1000112.4N258 L263 W266N258-L261 HydrophobicContact CB-CB 4.26Å; N258-L261 HydrophobicContact CB-CD1 4.38Å; N258-L261 HydrophobicContact CB-CG 4.47Å; N258-L261 PolarHBondContact O-N 3.43Å; N258-L261 PolarHBondContact OD1-N 2.96Å; N258-L261 VanDerWaalsContact OD1-N 3.15Å; L261-L263 HydrophobicContact CB-CB 4.19Å; L261-L263 HydrophobicContact CB-CD1 4.47Å; L261-L263 HydrophobicContact CB-CG 4.35Å; L261-L263 PolarHBondContact O-N 3Å; L261-W266 HydrophobicContact CD1-CH2 4Å; L261-W266 HydrophobicContact CD1-CZ3 4.48Å
262G89.4Confident93.2Very high40 Ų4053.1 Ų53.141%0.41230%0.298SS..THydrogen-bonded Turntrans6724.1-169.100000113.1F257 N258 E259F257-G262 VanDerWaalsContact CZ-C 3.41Å; N258-G262 WeakPolarHBondContact O-CA 3.13Å; N258-G262 PolarHBondContact O-N 3.48Å; E259-G262 PolarHBondContact O-N 3.27Å
263L92.5Very high93.9Very high22 Ų2258 Ų5812%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-133158.9-172.6-61.9177.1000111.6V16 A232 N258 L261 W266V16-L263 HydrophobicContact CB-CD2 4.06Å; V16-L263 HydrophobicContact CG1-CD2 3.65Å; V16-L263 HydrophobicContact CG2-CD2 4.19Å; A232-L263 HydrophobicContact CB-CD1 3.73Å; N258-L263 PolarHBondContact N-O 3.28Å; N258-L263 PolarHBondContact O-N 2.59Å; L261-L263 HydrophobicContact CB-CB 4.19Å; L261-L263 HydrophobicContact CB-CD1 4.47Å; L261-L263 HydrophobicContact CB-CG 4.35Å; L261-L263 PolarHBondContact O-N 3Å; L263-W266 HydrophobicContact CD1-CZ3 4.35Å
264Y94.8Very high94.4Very high38 Ų3858.3 Ų58.315%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-70.2130.4164.8-71.6-84.4000110H24 A236 F237 L254 P255 A256 F257 W266H24-Y264 AromaticContact CE1-CE2 3.65Å; H24-Y264 AromaticContact NE2-CE2 3.6Å; A236-Y264 WeakPolarHBondContact CB-O 3.47Å; F237-Y264 AromaticContact CE2-CD2 3.46Å; F237-Y264 HydrophobicContact CE2-CD2 3.46Å; F237-Y264 VanDerWaalsContact CE2-CD2 3.46Å; F237-Y264 HydrophobicContact CE2-CE2 4.11Å; F237-Y264 AromaticContact CE2-CG 3.71Å; F237-Y264 HydrophobicContact CE2-CG 3.71Å; F237-Y264 HydrophobicContact CZ-CD1 4.02Å; F237-Y264 AromaticContact CZ-CD2 3.45Å; F237-Y264 HydrophobicContact CZ-CD2 3.45Å; F237-Y264 VanDerWaalsContact CZ-CD2 3.45Å; F237-Y264 HydrophobicContact CZ-CE1 4.27Å; F237-Y264 AromaticContact CZ-CE2 3.73Å; F237-Y264 HydrophobicContact CZ-CE2 3.73Å; F237-Y264 AromaticContact CZ-CG 3.59Å; F237-Y264 HydrophobicContact CZ-CG 3.59Å; L254-Y264 HydrophobicContact CB-CE1 4.12Å; L254-Y264 HydrophobicContact CD1-CE1 4.49Å; P255-Y264 HydrophobicContact CB-CD1 4.19Å; P255-Y264 WeakPolarHBondContact O-CD1 3.45Å; A256-Y264 CarbonylContact O-C 3.38Å; A256-Y264 WeakPolarHBondContact O-CA 3.26Å; F257-Y264 HydrophobicContact CB-CD1 4.36Å; F257-Y264 HydrophobicContact CB-CE1 4.37Å; F257-Y264 HydrophobicContact CD2-CD1 4.12Å; F257-Y264 HydrophobicContact CD2-CD2 4.13Å; F257-Y264 HydrophobicContact CD2-CE1 4.16Å; F257-Y264 HydrophobicContact CD2-CE2 4.18Å; F257-Y264 HydrophobicContact CD2-CG 4.12Å; Y264-W266 PolarHBondContact O-N 2.77Å
265Q96Very high94.6Very high61 Ų6160 Ų6029%0.28532%0.318SS..  trans-76115.6-176.2-174.758.863.300110.2T247 A256 N258T247-Q265 VanDerWaalsContact CG2-O 3.27Å; T247-Q265 WeakPolarHBondContact CG2-O 3.36Å; A256-Q265 PolarHBondContact O-N 3.16Å; N258-Q265 HydrophobicContact CB-CB 4.3Å; N258-Q265 PolarHBondContact ND2-OE1 2.85Å
266W97.2Very high94.7Very high19 Ų1960.1 Ų60.17%0.07232%0.318CS..  trans-70.2161.617056.878.8000111.7F235 A236 L261 L263 Y264 V270 I271 L326F235-W266 HydrophobicContact CB-CB 4.3Å; F235-W266 HydrophobicContact CB-CE3 4.5Å; A236-W266 HydrophobicContact CB-CB 4.34Å; L261-W266 HydrophobicContact CD1-CH2 4Å; L261-W266 HydrophobicContact CD1-CZ3 4.48Å; L263-W266 HydrophobicContact CD1-CZ3 4.35Å; Y264-W266 PolarHBondContact O-N 2.77Å; W266-V270 HydrophobicContact CB-CB 4.28Å; W266-I271 HydrophobicContact CD2-CB 4.48Å; W266-I271 HydrophobicContact CD2-CD1 4.06Å; W266-I271 HydrophobicContact CG-CB 4.18Å; W266-I271 HydrophobicContact CG-CD1 4.26Å; W266-I271 HydrophobicContact CZ2-CG2 4.4Å; W266-L326 HydrophobicContact CH2-CD1 3.64Å; W266-L326 HydrophobicContact CZ2-CD1 4.47Å; W266-L326 HydrophobicContact CZ3-CD1 4.36Å
267S97.8Very high94.7Very high23 Ų2362.9 Ų62.916%0.16133%0.327CS..  trans-89.2166.717275.40000113L246 T247 A269 V270 I271L246-S267 PolarHBondContact O-OG 2.94Å; T247-S267 PolarHBondContact OG1-N 2.78Å; S267-A269 PolarHBondContact O-N 3.01Å; S267-A269 VanDerWaalsContact O-N 3.09Å; S267-A269 WeakPolarHBondContact OG-CB 3.43Å; S267-A269 PolarHBondContact OG-N 3.39Å; S267-V270 PolarHBondContact O-N 2.97Å; S267-I271 PolarHBondContact O-N 2.93Å
268E97.6Very high94.9Very high116 Ų11658.9 Ų58.954%0.54231%0.309SS..THydrogen-bonded Turntrans-64.8-5.3171.5-65.8-68.2140.600113.8R272E268-R272 HydrophobicContact CB-CG 4.44Å; E268-R272 WeakPolarHBondContact O-CG 2.98Å; E268-R272 PolarHBondContact O-NE 3.32Å; E268-R272 PolarHBondContact O-NH2 3.16Å; E268-R272 WeakPolarHBondContact OE2-CB 3.19Å; E268-R272 WeakPolarHBondContact OE2-CG 3.35Å
269A97.8Very high95.1Very high46 Ų4657.8 Ų57.838%0.3830%0.303SS..THydrogen-bonded Turntrans-81.6-18.3169.800000112.3S267S267-A269 PolarHBondContact O-N 3.01Å; S267-A269 VanDerWaalsContact O-N 3.09Å; S267-A269 WeakPolarHBondContact OG-CB 3.43Å; S267-A269 PolarHBondContact OG-N 3.39Å
270V98.4Very high95.5Very high0 Ų050.3 Ų50.30%027%0.269CS..THydrogen-bonded Turntrans-104.3-57.1-179.1-171.50000110.4F235 Y238 L246 W266 S267 L293 V294 T295F235-V270 HydrophobicContact CB-CG1 4.05Å; Y238-V270 HydrophobicContact CD2-CG1 4.12Å; L246-V270 HydrophobicContact CB-CG2 3.7Å; L246-V270 HydrophobicContact CD1-CG2 4.01Å; W266-V270 HydrophobicContact CB-CB 4.28Å; S267-V270 PolarHBondContact O-N 2.97Å; V270-L293 WeakPolarHBondContact O-CA 3.32Å; V270-V294 WeakPolarHBondContact O-CG2 3.46Å; V270-V294 PolarHBondContact O-N 3.04Å; V270-T295 HydrophobicContact CG1-CG2 4.2Å
271I98.4Very high95.8Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-133.3138.3-179.8-69159000109.6F235 W266 S267 H291 V292 L293 L316F235-I271 HydrophobicContact CB-CD1 4.09Å; F235-I271 HydrophobicContact CD2-CD1 3.24Å; F235-I271 HydrophobicContact CE2-CD1 3.75Å; F235-I271 HydrophobicContact CG-CD1 3.84Å; W266-I271 HydrophobicContact CD2-CB 4.48Å; W266-I271 HydrophobicContact CD2-CD1 4.06Å; W266-I271 HydrophobicContact CG-CB 4.18Å; W266-I271 HydrophobicContact CG-CD1 4.26Å; W266-I271 HydrophobicContact CZ2-CG2 4.4Å; S267-I271 PolarHBondContact O-N 2.93Å; I271-H291 HydrophobicContact CG2-CB 3.99Å; I271-V292 CarbonylContact C-O 3.56Å; I271-V292 VanDerWaalsContact CA-O 3.23Å; I271-V292 WeakPolarHBondContact CA-O 3.4Å; I271-L293 HydrophobicContact CG1-CB 4.28Å; I271-L293 HydrophobicContact CG1-CD1 4.47Å; I271-L293 HydrophobicContact CG1-CG 4.16Å; I271-L316 HydrophobicContact CD1-CD1 3.58Å; I271-L316 HydrophobicContact CG1-CD1 3.98Å
272R98.1Very high96.1Very high120 Ų12047.5 Ų47.545%0.45325%0.253SS..EExtended strand (participates in β ladder)trans-121149174.4-54.9-166.9178.3161.20.5110.7E268 V274 V292 V294E268-R272 HydrophobicContact CB-CG 4.44Å; E268-R272 WeakPolarHBondContact O-CG 2.98Å; E268-R272 PolarHBondContact O-NE 3.32Å; E268-R272 PolarHBondContact O-NH2 3.16Å; E268-R272 WeakPolarHBondContact OE2-CB 3.19Å; E268-R272 WeakPolarHBondContact OE2-CG 3.35Å; R272-V274 HydrophobicContact CB-CG2 4.47Å; R272-V292 PolarHBondContact N-O 3.22Å; R272-V292 PolarHBondContact O-N 2.8Å; R272-V294 HydrophobicContact CB-CG1 4.24Å; R272-V294 HydrophobicContact CG-CB 4.47Å; R272-V294 HydrophobicContact CG-CG1 3.84Å; R272-V294 HydrophobicContact CG-CG2 3.81Å
273R97.1Very high96Very high165 Ų16548.3 Ų48.362%0.62326%0.262SS*.EExtended strand (participates in β ladder)trans-88.5123.7168.1-166.8174.6-177.5-178.12.1109.7V290R273-V290 WeakPolarHBondContact CA-O 3.1Å
274V96.8Very high96.1Very high25 Ų2552.4 Ų52.415%0.15228%0.28CS..EExtended strand (participates in β ladder)trans-120147.3-178.3-1790000109.8R272 H289 V290 V292R272-V274 HydrophobicContact CB-CG2 4.47Å; V274-H289 WeakPolarHBondContact O-CA 3.23Å; V274-V290 HydrophobicContact CB-CG2 4.24Å; V274-V290 PolarHBondContact N-O 3.38Å; V274-V290 PolarHBondContact O-N 3.13Å; V274-V292 HydrophobicContact CB-CG2 3.84Å; V274-V292 HydrophobicContact CG2-CB 4.18Å; V274-V292 HydrophobicContact CG2-CG2 3.61Å
275S96.6Very high96.1Very high55 Ų5554.9 Ų54.939%0.38529%0.294SS..EExtended strand (participates in β ladder)trans-106.3123.8172.4-168.90000110.2H288 H289S275-H288 CarbonylContact C-O 3.59Å; S275-H288 WeakPolarHBondContact CA-O 3.44Å; S275-H289 WeakPolarHBondContact CB-ND1 3.4Å; S275-H289 PolarHBondContact OG-CE1 2.82Å; S275-H289 VanDerWaalsContact OG-CE1 3.29Å; S275-H289 PolarHBondContact OG-ND1 2.9Å
276R95.9Very high96.2Very high8 Ų853.7 Ų53.73%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-96.9144.4172.9-56.1-58-172.6-1632.6109.8W278 H288 V290 E312 E315R276-W278 HydrophobicContact CB-CE3 4.14Å; R276-W278 HydrophobicContact CB-CZ3 4.45Å; R276-H288 PolarHBondContact N-O 3.12Å; R276-H288 PolarHBondContact O-N 2.59Å; R276-V290 HydrophobicContact CG-CG2 4.13Å; R276-E312 IonicContact CZ-OE2 2.82Å; R276-E312 VanDerWaalsContact NH1-CD 3.3Å; R276-E312 IonicContact NH1-OE1 3.49Å; R276-E312 PolarHBondContact NH1-OE1 3.03Å; R276-E312 IonicContact NH1-OE2 3.17Å; R276-E312 PolarHBondContact NH1-OE2 3.14Å; R276-E312 IonicContact NH2-OE2 3.7Å; R276-E312 PolarHBondContact NH2-OE2 2.82Å; R276-E315 IonicContact CZ-OE1 2.71Å; R276-E315 IonicContact NE-OE1 3.44Å; R276-E315 PolarHBondContact NE-OE1 2.84Å; R276-E315 IonicContact NH2-OE1 2.76Å; R276-E315 PolarHBondContact NH2-OE1 3.49Å
277L96.2Very high96.1Very high95 Ų9562.4 Ų62.450%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-82.1115.5167.9-102.6169.8000108.1M285 K386L277-M285 HydrophobicContact CB-CE 3.84Å; L277-M285 HydrophobicContact CD2-CB 3.97Å; L277-M285 HydrophobicContact CD2-CE 3.91Å; L277-M285 HydrophobicContact CG-CE 4.42Å; L277-K386 WeakPolarHBondContact O-CD 3.45Å
278W96.8Very high96.1Very high0 Ų061.4 Ų61.40%032%0.317CS..EExtended strand (participates in β ladder)trans-115.3118.1-166-153.7-110000111.2R276 M285 V286 H288 K386 S387 E440 Y443 D466R276-W278 HydrophobicContact CB-CE3 4.14Å; R276-W278 HydrophobicContact CB-CZ3 4.45Å; W278-M285 CarbonylContact O-C 3.59Å; W278-M285 WeakPolarHBondContact O-CA 3.47Å; W278-V286 HydrophobicContact CB-CG2 3.84Å; W278-V286 WeakPolarHBondContact CB-O 3.29Å; W278-V286 HydrophobicContact CG-CG2 4.48Å; W278-V286 PolarHBondContact N-O 3.13Å; W278-V286 PolarHBondContact O-N 3Å; W278-H288 HydrophobicContact CB-CB 3.73Å; W278-H288 HydrophobicContact CD2-CB 3.9Å; W278-H288 HydrophobicContact CE3-CB 4.08Å; W278-H288 HydrophobicContact CG-CB 3.78Å; W278-K386 VanDerWaalsContact CZ3-C 3.49Å; W278-S387 VanDerWaalsContact CE2-CB 3.42Å; W278-E440 VanDerWaalsContact CD1-O 3.26Å; W278-E440 PolarHBondContact NE1-O 3.16Å; W278-E440 VanDerWaalsContact NE1-O 3.12Å; W278-Y443 AromaticContact NE1-CE1 3.79Å; W278-D466 HydrophobicContact CZ2-CB 4.43Å
279D97.5Very high96Very high20 Ų2060.1 Ų60.111%0.10731%0.31CS..EExtended strand (participates in β ladder)trans-85125.6-179.8-176.68.8000109.9M285 S387 K389 F390D279-M285 VanDerWaalsContact CA-SD 3.54Å; D279-M285 HydrophobicContact CB-CE 4.2Å; D279-M285 HydrophobicContact CB-SD 3.6Å; D279-S387 WeakPolarHBondContact CB-OG 3.36Å; D279-S387 PolarHBondContact N-OG 2.77Å; D279-S387 WeakPolarHBondContact O-CB 3.46Å; D279-S387 PolarHBondContact O-OG 3.05Å; D279-K389 VanDerWaalsContact OD1-CE 3.22Å; D279-K389 WeakPolarHBondContact OD1-CE 3.44Å; D279-F390 HydrophobicContact CB-CB 3.93Å; D279-F390 HydrophobicContact CB-CD2 4.36Å
280I96.7Very high95.9Very high1 Ų158 Ų581%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-124.4172.7-17966.4164.2000110.5G282 G283 E284 V286 K389 L439 Q442I280-G282 PolarHBondContact O-N 3.2Å; I280-G283 PolarHBondContact O-N 3.05Å; I280-E284 HydrophobicContact CD1-CB 3.97Å; I280-E284 HydrophobicContact CG1-CB 3.71Å; I280-E284 VanDerWaalsContact CG1-O 3.32Å; I280-E284 WeakPolarHBondContact CG1-O 3.48Å; I280-E284 PolarHBondContact N-O 3.28Å; I280-V286 HydrophobicContact CD1-CG1 3.75Å; I280-V286 HydrophobicContact CG1-CG1 4.34Å; I280-V286 HydrophobicContact CG2-CG2 3.96Å; I280-K389 VanDerWaalsContact C-CD 3.46Å; I280-K389 WeakPolarHBondContact O-CD 3.29Å; I280-K389 WeakPolarHBondContact O-CE 3.24Å; I280-L439 HydrophobicContact CD1-CD1 3.81Å; I280-L439 HydrophobicContact CD1-CD2 4.26Å; I280-L439 HydrophobicContact CD1-CG 3.64Å; I280-Q442 CarbonylContact C-O 3.6Å
281R94.8Very high95.9Very high82 Ų8260 Ų6031%0.30930%0.302SS..THydrogen-bonded Turntrans-51.6139.5179.3178.2177179.5-98.12111.3Q442 F444 D445 A452R281-Q442 HydrophobicContact CB-CB 4.12Å; R281-Q442 VanDerWaalsContact CB-O 3.28Å; R281-Q442 WeakPolarHBondContact CB-O 3.41Å; R281-Q442 PolarHBondContact N-O 2.85Å; R281-F444 WeakPolarHBondContact CD-O 3.43Å; R281-F444 WeakPolarHBondContact CG-O 3.46Å; R281-F444 PolarHBondContact NE-O 2.9Å; R281-D445 WeakPolarHBondContact CA-OD1 3.41Å; R281-A452 PolarHBondContact NH2-O 2.74Å
282G91.3Very high95.9Very high62 Ų6260 Ų6064%0.63930%0.302SS*.THydrogen-bonded Turntrans87.35.5-179.500000114.2I280 E284 D445I280-G282 PolarHBondContact O-N 3.2Å; G282-E284 VanDerWaalsContact C-N 3.27Å; G282-D445 PolarHBondContact N-OD1 3.16Å
283G87.4Confident95.9Very high57 Ų5754.2 Ų54.259%0.58828%0.28SS*.THydrogen-bonded Turntrans72.922.4-178.700000113.1I280I280-G283 PolarHBondContact O-N 3.05Å
284E93.9Very high96Very high108 Ų10847.2 Ų47.251%0.50526%0.255SS..EExtended strand (participates in β ladder)trans-84.5145.3174.7-63.8-175174.100110.4I280 G282I280-E284 HydrophobicContact CD1-CB 3.97Å; I280-E284 HydrophobicContact CG1-CB 3.71Å; I280-E284 VanDerWaalsContact CG1-O 3.32Å; I280-E284 WeakPolarHBondContact CG1-O 3.48Å; I280-E284 PolarHBondContact N-O 3.28Å; G282-E284 VanDerWaalsContact C-N 3.27Å
285M96.5Very high96.1Very high90 Ų9046 Ų4644%0.44325%0.248SC..EExtended strand (participates in β ladder)trans-115.2120.4176.8-64.4-63.3-58.400109.5L277 W278 D279L277-M285 HydrophobicContact CB-CE 3.84Å; L277-M285 HydrophobicContact CD2-CB 3.97Å; L277-M285 HydrophobicContact CD2-CE 3.91Å; L277-M285 HydrophobicContact CG-CE 4.42Å; W278-M285 CarbonylContact O-C 3.59Å; W278-M285 WeakPolarHBondContact O-CA 3.47Å; D279-M285 VanDerWaalsContact CA-SD 3.54Å; D279-M285 HydrophobicContact CB-CE 4.2Å; D279-M285 HydrophobicContact CB-SD 3.6Å
286V96.8Very high96.1Very high36 Ų3647.8 Ų47.822%0.21826%0.258CS..EExtended strand (participates in β ladder)trans-111.3163.7178.2-57.40000111.7W278 I280 E440W278-V286 HydrophobicContact CB-CG2 3.84Å; W278-V286 WeakPolarHBondContact CB-O 3.29Å; W278-V286 HydrophobicContact CG-CG2 4.48Å; W278-V286 PolarHBondContact N-O 3.13Å; W278-V286 PolarHBondContact O-N 3Å; I280-V286 HydrophobicContact CD1-CG1 3.75Å; I280-V286 HydrophobicContact CG1-CG1 4.34Å; I280-V286 HydrophobicContact CG2-CG2 3.96Å; V286-E440 HydrophobicContact CG2-CB 4.29Å
287R96.6Very high96.3Very high201 Ų20149.3 Ų49.376%0.75826%0.264SS*.EExtended strand (participates in β ladder)trans-89.5114.4171.7-73.2-176.2177.3157.70108.8
288H95.8Very high96.4Very high3 Ų344.8 Ų44.81%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-102.4130.6173.6-177.774.1000109.1S275 R276 W278 V290 N318 E440S275-H288 CarbonylContact C-O 3.59Å; S275-H288 WeakPolarHBondContact CA-O 3.44Å; R276-H288 PolarHBondContact N-O 3.12Å; R276-H288 PolarHBondContact O-N 2.59Å; W278-H288 HydrophobicContact CB-CB 3.73Å; W278-H288 HydrophobicContact CD2-CB 3.9Å; W278-H288 HydrophobicContact CE3-CB 4.08Å; W278-H288 HydrophobicContact CG-CB 3.78Å; H288-V290 VanDerWaalsContact CD2-CG1 3.48Å; H288-V290 WeakPolarHBondContact CD2-CG1 3.48Å; H288-V290 WeakPolarHBondContact NE2-CG1 3.24Å; H288-N318 PolarHBondContact CE1-ND2 3.5Å; H288-N318 VanDerWaalsContact CE1-ND2 3.29Å; H288-N318 PolarHBondContact NE2-ND2 3.5Å; H288-E440 IonicContact ND1-OE2 3.94Å
289H95.8Very high96.5Very high89 Ų8945.6 Ų45.641%0.41225%0.245SC..EExtended strand (participates in β ladder)trans-107.7129-175.6-70.9-43.2000110.9V274 S275V274-H289 WeakPolarHBondContact O-CA 3.23Å; S275-H289 WeakPolarHBondContact CB-ND1 3.4Å; S275-H289 PolarHBondContact OG-CE1 2.82Å; S275-H289 VanDerWaalsContact OG-CE1 3.29Å; S275-H289 PolarHBondContact OG-ND1 2.9Å
290V96.8Very high96.5Very high1 Ų150.3 Ų50.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-130.8156.3-177.4-63.70000111R273 V274 R276 H288 V292 E315R273-V290 WeakPolarHBondContact CA-O 3.1Å; V274-V290 HydrophobicContact CB-CG2 4.24Å; V274-V290 PolarHBondContact N-O 3.38Å; V274-V290 PolarHBondContact O-N 3.13Å; R276-V290 HydrophobicContact CG-CG2 4.13Å; H288-V290 VanDerWaalsContact CD2-CG1 3.48Å; H288-V290 WeakPolarHBondContact CD2-CG1 3.48Å; H288-V290 WeakPolarHBondContact NE2-CG1 3.24Å; V290-V292 HydrophobicContact CG2-CG2 3.93Å; V290-E315 HydrophobicContact CB-CG 4.38Å; V290-E315 HydrophobicContact CG2-CG 4.1Å
291H97.8Very high96.6Very high41 Ų4150.8 Ų50.819%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-96.5128168.1-67.299000109I271 E315 L316 L326I271-H291 HydrophobicContact CG2-CB 3.99Å; H291-E315 WeakPolarHBondContact O-CA 3.31Å; H291-L316 HydrophobicContact CB-CB 4.5Å; H291-L316 PolarHBondContact O-N 3.1Å; H291-L326 HydrophobicContact CB-CD2 3.71Å
292V98.4Very high96.8Very high0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-118125.5-176.6-174.30000108.7I271 R272 V274 V290 V294 G313 M314 E315I271-V292 CarbonylContact C-O 3.56Å; I271-V292 VanDerWaalsContact CA-O 3.23Å; I271-V292 WeakPolarHBondContact CA-O 3.4Å; R272-V292 PolarHBondContact N-O 3.22Å; R272-V292 PolarHBondContact O-N 2.8Å; V274-V292 HydrophobicContact CB-CG2 3.84Å; V274-V292 HydrophobicContact CG2-CB 4.18Å; V274-V292 HydrophobicContact CG2-CG2 3.61Å; V290-V292 HydrophobicContact CG2-CG2 3.93Å; V292-V294 HydrophobicContact CB-CG1 4.31Å; V292-V294 HydrophobicContact CG1-CG1 3.98Å; V292-G313 VanDerWaalsContact CG1-CA 3.45Å; V292-M314 CarbonylContact C-O 3.58Å; V292-M314 WeakPolarHBondContact CA-O 3.25Å; V292-E315 HydrophobicContact CG2-CG 4.15Å
293L98.6Very high97.2Very high0 Ų048.7 Ų48.70%024%0.242CC..EExtended strand (participates in β ladder)trans-82.5117.2172.3-160.2152000109F235 V270 I271 T295 V298 G313 M314 L316 W329 I356F235-L293 HydrophobicContact CE1-CD1 4.27Å; F235-L293 HydrophobicContact CZ-CD1 4.42Å; V270-L293 WeakPolarHBondContact O-CA 3.32Å; I271-L293 HydrophobicContact CG1-CB 4.28Å; I271-L293 HydrophobicContact CG1-CD1 4.47Å; I271-L293 HydrophobicContact CG1-CG 4.16Å; L293-T295 HydrophobicContact CD2-CG2 3.82Å; L293-T295 WeakPolarHBondContact CD2-OG1 3.45Å; L293-V298 HydrophobicContact CD2-CB 3.84Å; L293-V298 HydrophobicContact CD2-CG1 3.86Å; L293-V298 HydrophobicContact CD2-CG2 3.78Å; L293-G313 CarbonylContact O-C 3.59Å; L293-G313 WeakPolarHBondContact O-CA 3.46Å; L293-M314 PolarHBondContact N-O 3.44Å; L293-M314 PolarHBondContact O-N 3.47Å; L293-L316 HydrophobicContact CB-CD1 4.46Å; L293-L316 HydrophobicContact CB-CG 4.35Å; L293-L316 HydrophobicContact CD1-CD1 4.46Å; L293-L316 HydrophobicContact CD1-CD2 4.25Å; L293-W329 HydrophobicContact CB-CZ3 4.26Å; L293-W329 HydrophobicContact CD1-CH2 4.33Å; L293-W329 HydrophobicContact CD1-CZ3 4.42Å; L293-I356 HydrophobicContact CD1-CD1 3.41Å; L293-I356 VanDerWaalsContact CD1-CD1 3.41Å; L293-I356 HydrophobicContact CD1-CG1 3.93Å; L293-I356 HydrophobicContact CD2-CG1 4.43Å
294V98.6Very high97.7Very high17 Ų1753.2 Ų53.210%0.10324%0.241CC..  trans-112.517.6-165.7-60.90000113.5V270 R272 V292 V299 E312V270-V294 WeakPolarHBondContact O-CG2 3.46Å; V270-V294 PolarHBondContact O-N 3.04Å; R272-V294 HydrophobicContact CB-CG1 4.24Å; R272-V294 HydrophobicContact CG-CB 4.47Å; R272-V294 HydrophobicContact CG-CG1 3.84Å; R272-V294 HydrophobicContact CG-CG2 3.81Å; V292-V294 HydrophobicContact CB-CG1 4.31Å; V292-V294 HydrophobicContact CG1-CG1 3.98Å; V294-V299 WeakPolarHBondContact O-CG2 3.44Å; V294-E312 WeakPolarHBondContact CG1-O 3.41Å
295T98.6Very high97.9Very high0 Ų049.2 Ų49.20%022%0.222CC..  trans-68.5151.3178.861.60000111.4L246 V270 L293 R297 V298 V299 D359L246-T295 HydrophobicContact CD1-CG2 4.45Å; V270-T295 HydrophobicContact CG1-CG2 4.2Å; L293-T295 HydrophobicContact CD2-CG2 3.82Å; L293-T295 WeakPolarHBondContact CD2-OG1 3.45Å; T295-R297 PolarHBondContact O-N 2.76Å; T295-V298 PolarHBondContact O-N 2.97Å; T295-V299 VanDerWaalsContact O-CG2 3.26Å; T295-V299 WeakPolarHBondContact O-CG2 3.49Å; T295-V299 PolarHBondContact O-N 2.94Å; T295-D359 VanDerWaalsContact C-OD2 3.26Å; T295-D359 WeakPolarHBondContact CB-OD2 3.39Å; T295-D359 HydrophobicContact CG2-CB 4.33Å; T295-D359 WeakPolarHBondContact OG1-CB 3.43Å; T295-D359 VanDerWaalsContact OG1-CG 3.31Å; T295-D359 PolarHBondContact OG1-OD2 3.17Å
296P98.3Very high98Very high92 Ų9244.9 Ų44.960%0.59720%0.201SC*.Hα-helixtrans-56.6-47.2-162.8-28.136.2000115.7V299 E300P296-V299 PolarHBondContact O-N 2.71Å; P296-E300 PolarHBondContact O-N 3.11Å
297R98.6Very high98.1Very high41 Ų4146.8 Ų46.816%0.15522%0.216CC..Hα-helixtrans-76.6-34.9-176.9-62.2167.1178.474.63.6111.6D241 T295 V299 E300 E301 A355 E358 D359D241-R297 VanDerWaalsContact CG-NH2 3.29Å; D241-R297 IonicContact OD1-CZ 2.88Å; D241-R297 IonicContact OD1-NH1 3.92Å; D241-R297 PolarHBondContact OD1-NH1 2.86Å; D241-R297 IonicContact OD1-NH2 3.27Å; D241-R297 PolarHBondContact OD1-NH2 3.46Å; D241-R297 IonicContact OD2-CZ 3.35Å; D241-R297 IonicContact OD2-NH1 2.61Å; D241-R297 PolarHBondContact OD2-NH1 3.4Å; D241-R297 IonicContact OD2-NH2 3.47Å; D241-R297 PolarHBondContact OD2-NH2 2.94Å; T295-R297 PolarHBondContact O-N 2.76Å; R297-V299 VanDerWaalsContact C-N 3.32Å; R297-E300 PolarHBondContact O-N 2.82Å; R297-E301 WeakPolarHBondContact O-CB 3.37Å; R297-E301 WeakPolarHBondContact O-CG 3.47Å; R297-E301 PolarHBondContact O-N 3.28Å; R297-A355 HydrophobicContact CB-CB 4.01Å; R297-E358 IonicContact CZ-OE1 3.74Å; R297-E358 IonicContact NE-OE1 2.86Å; R297-E358 PolarHBondContact NE-OE1 3.33Å; R297-E358 IonicContact NH2-OE1 3.64Å; R297-E358 PolarHBondContact NH2-OE1 3.4Å; R297-D359 WeakPolarHBondContact CA-OD2 3.38Å; R297-D359 WeakPolarHBondContact CB-OD1 3.25Å; R297-D359 WeakPolarHBondContact CB-OD2 3.43Å; R297-D359 WeakPolarHBondContact CD-OD1 3.4Å; R297-D359 WeakPolarHBondContact CG-OD1 3.31Å; R297-D359 IonicContact CZ-OD1 3.82Å; R297-D359 PolarHBondContact N-OD1 3.3Å; R297-D359 PolarHBondContact N-OD2 2.9Å; R297-D359 IonicContact NE-OD1 2.77Å; R297-D359 IonicContact NH1-OD1 3.67Å; R297-D359 PolarHBondContact NH1-OD1 3.25Å; R297-D359 VanDerWaalsContact NH1-OD1 3.07Å
298V98.8Very high98.2Very high0 Ų037.2 Ų37.20%018%0.18CC..Hα-helixtrans-61.8-43.6173171.80000110.4L293 T295 A302 M314 W329 A355 I356 D359L293-V298 HydrophobicContact CD2-CB 3.84Å; L293-V298 HydrophobicContact CD2-CG1 3.86Å; L293-V298 HydrophobicContact CD2-CG2 3.78Å; T295-V298 PolarHBondContact O-N 2.97Å; V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.26Å; V298-M314 HydrophobicContact CG1-CB 3.55Å; V298-W329 HydrophobicContact CG1-CH2 3.94Å; V298-W329 HydrophobicContact CG1-CZ3 4.45Å; V298-W329 HydrophobicContact CG2-CH2 4.3Å; V298-A355 HydrophobicContact CG2-CB 4.03Å; V298-I356 HydrophobicContact CG2-CB 3.8Å; V298-I356 HydrophobicContact CG2-CG1 4.44Å; V298-D359 PolarHBondContact N-OD2 2.86Å
299V98.8Very high98.3Very high16 Ų1641.8 Ų41.810%0.09721%0.209CC..Hα-helixtrans-60-48.5173.9174.10000110.9V294 T295 P296 R297 A302 R303 E312V294-V299 WeakPolarHBondContact O-CG2 3.44Å; T295-V299 VanDerWaalsContact O-CG2 3.26Å; T295-V299 WeakPolarHBondContact O-CG2 3.49Å; T295-V299 PolarHBondContact O-N 2.94Å; P296-V299 PolarHBondContact O-N 2.71Å; R297-V299 VanDerWaalsContact C-N 3.32Å; V299-A302 PolarHBondContact O-N 2.79Å; V299-R303 HydrophobicContact CG1-CG 4.35Å; V299-R303 WeakPolarHBondContact O-CB 3.41Å; V299-R303 WeakPolarHBondContact O-CG 3.33Å; V299-R303 PolarHBondContact O-N 3.45Å; V299-E312 VanDerWaalsContact CG2-O 3.31Å; V299-E312 WeakPolarHBondContact CG2-O 3.4Å
300E98.7Very high98.4Very high120 Ų12042.9 Ų42.956%0.56122%0.217SC*.Hα-helixtrans-58.2-52.8179.3-176.4-178.2173.300112P296 R297 A302 R303 R304P296-E300 PolarHBondContact O-N 3.11Å; R297-E300 PolarHBondContact O-N 2.82Å; E300-A302 PolarHBondContact O-N 3.06Å; E300-R303 PolarHBondContact O-N 2.78Å; E300-R304 VanDerWaalsContact O-CB 3.31Å; E300-R304 WeakPolarHBondContact O-CB 3.24Å; E300-R304 PolarHBondContact O-N 3.15Å
301E98.7Very high98.5Very high11 Ų1142.8 Ų42.85%0.05122%0.217CC..Hα-helixtrans-69.7-32.9-177.2-68.4-66.9171.700111.8R297 R304 H305 R351 L352 A355 Y367R297-E301 WeakPolarHBondContact O-CB 3.37Å; R297-E301 WeakPolarHBondContact O-CG 3.47Å; R297-E301 PolarHBondContact O-N 3.28Å; E301-R304 IonicContact OE1-NH1 3.54Å; E301-H305 WeakPolarHBondContact O-CB 3.38Å; E301-H305 PolarHBondContact O-N 2.84Å; E301-R351 HydrophobicContact CG-CB 4.31Å; E301-R351 IonicContact OE1-CZ 3.42Å; E301-R351 VanDerWaalsContact OE1-CZ 3.32Å; E301-R351 IonicContact OE1-NE 3.52Å; E301-R351 PolarHBondContact OE1-NE 2.79Å; E301-R351 IonicContact OE1-NH2 2.91Å; E301-R351 PolarHBondContact OE1-NH2 3.27Å; E301-R351 WeakPolarHBondContact OE2-CB 3.29Å; E301-R351 WeakPolarHBondContact OE2-CD 3.42Å; E301-R351 IonicContact OE2-CZ 2.99Å; E301-R351 IonicContact OE2-NE 3.31Å; E301-R351 PolarHBondContact OE2-NE 3.13Å; E301-L352 HydrophobicContact CB-CD2 4.05Å; E301-A355 HydrophobicContact CB-CB 4.36Å; E301-A355 HydrophobicContact CG-CB 4.09Å; E301-Y367 HydrophobicContact CG-CE1 4.2Å
302A98.7Very high98.5Very high0 Ų044 Ų440%022%0.222CC..Hα-helixtrans-66.6-47.8173.500000111.4V298 V299 E300 R304 H305 F306 L311 M314 L352V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.26Å; V299-A302 PolarHBondContact O-N 2.79Å; E300-A302 PolarHBondContact O-N 3.06Å; A302-R304 VanDerWaalsContact C-N 3.29Å; A302-R304 PolarHBondContact O-N 3.49Å; A302-H305 PolarHBondContact O-N 3.34Å; A302-F306 VanDerWaalsContact O-CD2 3.22Å; A302-F306 WeakPolarHBondContact O-CD2 3.42Å; A302-F306 PolarHBondContact O-N 2.84Å; A302-L311 HydrophobicContact CB-CD2 3.87Å; A302-M314 HydrophobicContact CB-CB 4.24Å; A302-M314 HydrophobicContact CB-SD 4.38Å; A302-L352 HydrophobicContact CB-CD2 3.97Å
303R98.8Very high98.4Very high100 Ų10044 Ų4438%0.37722%0.222SC..Hα-helixtrans-58.1-43.9175.9-72.1176.8173173.7-1.4111.4V299 E300 S307 C308 P309 L311V299-R303 HydrophobicContact CG1-CG 4.35Å; V299-R303 WeakPolarHBondContact O-CB 3.41Å; V299-R303 WeakPolarHBondContact O-CG 3.33Å; V299-R303 PolarHBondContact O-N 3.45Å; E300-R303 PolarHBondContact O-N 2.78Å; R303-S307 CarbonylContact O-C 3.41Å; R303-S307 WeakPolarHBondContact O-CA 3.47Å; R303-S307 PolarHBondContact O-N 3.38Å; R303-C308 VanDerWaalsContact CG-O 3.28Å; R303-C308 WeakPolarHBondContact CG-O 3.39Å; R303-C308 PolarHBondContact O-N 3.36Å; R303-P309 PolarHBondContact NE-O 3.42Å; R303-P309 VanDerWaalsContact NE-O 3.11Å; R303-L311 HydrophobicContact CG-CB 4.06Å; R303-L311 VanDerWaalsContact CZ-O 3.27Å; R303-L311 PolarHBondContact NE-O 3.16Å; R303-L311 PolarHBondContact NH2-O 2.66Å
304R98.6Very high98.4Very high152 Ų15244 Ų4457%0.57422%0.223SC*.Hα-helixtrans-63.6-47.8176.9-177.7-176.7177.9174.52.1111.6E300 E301 A302 S307E300-R304 VanDerWaalsContact O-CB 3.31Å; E300-R304 WeakPolarHBondContact O-CB 3.24Å; E300-R304 PolarHBondContact O-N 3.15Å; E301-R304 IonicContact OE1-NH1 3.54Å; A302-R304 VanDerWaalsContact C-N 3.29Å; A302-R304 PolarHBondContact O-N 3.49Å; R304-S307 PolarHBondContact O-N 3Å
305H98.4Very high98.4Very high23 Ų2343.3 Ų43.311%0.10622%0.218CC..Hα-helixtrans-60.6-55.2-178.1-178.367.5000111.2E301 A302 S307 L373 W375 R377 G378E301-H305 WeakPolarHBondContact O-CB 3.38Å; E301-H305 PolarHBondContact O-N 2.84Å; A302-H305 PolarHBondContact O-N 3.34Å; H305-S307 VanDerWaalsContact C-N 3.31Å; H305-S307 PolarHBondContact O-N 3.19Å; H305-L373 PolarHBondContact CE1-O 3.07Å; H305-L373 VanDerWaalsContact CE1-O 3.25Å; H305-W375 PolarHBondContact CE1-O 3.5Å; H305-W375 VanDerWaalsContact CE1-O 3.28Å; H305-W375 PolarHBondContact NE2-O 3.23Å; H305-R377 CarbonylContact O-C 3.51Å; H305-R377 VanDerWaalsContact O-CA 3.26Å; H305-R377 WeakPolarHBondContact O-CA 3.27Å; H305-G378 PolarHBondContact O-N 2.91Å
306F98.6Very high98.4Very high0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-79.1-11.6-178.8-62-70.8000113.7A302 C308 L311 M314 L333 L334 G376 G378 L379 G380 F383 V384A302-F306 VanDerWaalsContact O-CD2 3.22Å; A302-F306 WeakPolarHBondContact O-CD2 3.42Å; A302-F306 PolarHBondContact O-N 2.84Å; F306-C308 VanDerWaalsContact C-N 3.32Å; F306-C308 HydrophobicContact CB-CB 4.33Å; F306-L311 HydrophobicContact CD2-CD2 3.84Å; F306-L311 HydrophobicContact CE2-CD2 4.46Å; F306-M314 HydrophobicContact CE2-CE 4.31Å; F306-M314 HydrophobicContact CE2-SD 3.64Å; F306-M314 HydrophobicContact CZ-CE 4.29Å; F306-M314 HydrophobicContact CZ-SD 4.15Å; F306-L333 WeakPolarHBondContact CE1-O 3.23Å; F306-L333 HydrophobicContact CZ-CB 4.13Å; F306-L334 HydrophobicContact CE2-CD2 4.36Å; F306-L334 HydrophobicContact CZ-CD2 3.7Å; F306-L334 HydrophobicContact CZ-CG 4.39Å; F306-G376 VanDerWaalsContact CD1-O 3.23Å; F306-G376 WeakPolarHBondContact CD1-O 3.24Å; F306-G378 CarbonylContact O-C 3.58Å; F306-L379 PolarHBondContact O-N 3.02Å; F306-G380 WeakPolarHBondContact O-CA 3.26Å; F306-G380 PolarHBondContact O-N 3.39Å; F306-F383 HydrophobicContact CD1-CD1 4.01Å; F306-F383 HydrophobicContact CD1-CE1 4.3Å; F306-F383 HydrophobicContact CE1-CD1 4.06Å; F306-F383 AromaticContact CE1-CE1 3.91Å; F306-F383 HydrophobicContact CE1-CE1 3.91Å; F306-V384 HydrophobicContact CD1-CB 4.23Å; F306-V384 HydrophobicContact CD1-CG2 4.44Å; F306-V384 HydrophobicContact CD2-CB 4.37Å; F306-V384 HydrophobicContact CD2-CG2 3.95Å; F306-V384 HydrophobicContact CE1-CG2 4.47Å; F306-V384 HydrophobicContact CE2-CG2 3.99Å; F306-V384 HydrophobicContact CG-CB 4.13Å; F306-V384 HydrophobicContact CG-CG2 4.2Å; F306-V384 HydrophobicContact CZ-CG2 4.26Å
307S98.5Very high98.4Very high76 Ų7638.9 Ų38.953%0.53119%0.19SC..THydrogen-bonded Turntrans5645.5-168.1-58.30000112.4R303 R304 H305R303-S307 CarbonylContact O-C 3.41Å; R303-S307 WeakPolarHBondContact O-CA 3.47Å; R303-S307 PolarHBondContact O-N 3.38Å; R304-S307 PolarHBondContact O-N 3Å; H305-S307 VanDerWaalsContact C-N 3.31Å; H305-S307 PolarHBondContact O-N 3.19Å
308C98.5Very high98.2Very high0 Ų038.3 Ų38.30%019%0.19CC..  trans-123.499.5178.5-179.90000110.7R303 F306 I310 L311 C381 V384R303-C308 VanDerWaalsContact CG-O 3.28Å; R303-C308 WeakPolarHBondContact CG-O 3.39Å; R303-C308 PolarHBondContact O-N 3.36Å; F306-C308 VanDerWaalsContact C-N 3.32Å; F306-C308 HydrophobicContact CB-CB 4.33Å; C308-I310 VanDerWaalsContact C-N 3.3Å; C308-I310 PolarHBondContact O-N 3.42Å; C308-L311 HydrophobicContact CB-CB 4.21Å; C308-L311 WeakPolarHBondContact O-CB 3.49Å; C308-L311 PolarHBondContact O-N 3.31Å; C308-C381 WeakPolarHBondContact CA-SG 3.31Å; C308-C381 HydrophobicContact CB-CB 4.05Å; C308-C381 WeakPolarHBondContact CB-SG 3.25Å; C308-C381 WeakPolarHBondContact SG-CA 3.37Å; C308-C381 WeakPolarHBondContact SG-CB 3.19Å; C308-C381 CovalentContact SG-SG 2.04Å; C308-C381 PolarHBondContact SG-SG 3.3Å; C308-V384 HydrophobicContact CB-CG1 4.28Å
309P98.1Very high97.8Very high98 Ų9839.2 Ų39.264%0.63619%0.194SC*.THydrogen-bonded Turntrans-71-21.5-172.727.1-34.8000114.3R303R303-P309 PolarHBondContact NE-O 3.42Å; R303-P309 VanDerWaalsContact NE-O 3.11Å
310I97.8Very high97.1Very high112 Ų11239.9 Ų39.957%0.57420%0.204SC*.THydrogen-bonded Turntrans-88.8-4-179.362.9169000113.3C308 E312 M385C308-I310 VanDerWaalsContact C-N 3.3Å; C308-I310 PolarHBondContact O-N 3.42Å; I310-E312 PolarHBondContact O-N 3.33Å; I310-M385 HydrophobicContact CD1-SD 4.03Å; I310-M385 HydrophobicContact CG1-SD 4.22Å
311L98.2Very high96.5Very high0 Ų036.1 Ų36.10%020%0.198CC..  trans-62.1132.3-177.5-17461.1000110.4A302 R303 F306 C308 G313 V384 M385A302-L311 HydrophobicContact CB-CD2 3.87Å; R303-L311 HydrophobicContact CG-CB 4.06Å; R303-L311 VanDerWaalsContact CZ-O 3.27Å; R303-L311 PolarHBondContact NE-O 3.16Å; R303-L311 PolarHBondContact NH2-O 2.66Å; F306-L311 HydrophobicContact CD2-CD2 3.84Å; F306-L311 HydrophobicContact CE2-CD2 4.46Å; C308-L311 HydrophobicContact CB-CB 4.21Å; C308-L311 WeakPolarHBondContact O-CB 3.49Å; C308-L311 PolarHBondContact O-N 3.31Å; L311-G313 VanDerWaalsContact CG-O 3.26Å; L311-G313 WeakPolarHBondContact CG-O 3.44Å; L311-V384 HydrophobicContact CD1-CG1 3.93Å; L311-V384 HydrophobicContact CD1-CG2 3.96Å; L311-V384 HydrophobicContact CD2-CG1 4.3Å; L311-V384 HydrophobicContact CD2-CG2 4.01Å; L311-M385 HydrophobicContact CD1-CG 4.32Å
312E97.6Very high95.7Very high65 Ų6541.8 Ų41.830%0.30423%0.233SC..  trans-81.8-20.4-172.1-50.791.8148.500113.1R276 V294 V299 I310R276-E312 IonicContact CZ-OE2 2.82Å; R276-E312 VanDerWaalsContact NH1-CD 3.3Å; R276-E312 IonicContact NH1-OE1 3.49Å; R276-E312 PolarHBondContact NH1-OE1 3.03Å; R276-E312 IonicContact NH1-OE2 3.17Å; R276-E312 PolarHBondContact NH1-OE2 3.14Å; R276-E312 IonicContact NH2-OE2 3.7Å; R276-E312 PolarHBondContact NH2-OE2 2.82Å; V294-E312 WeakPolarHBondContact CG1-O 3.41Å; V299-E312 VanDerWaalsContact CG2-O 3.31Å; V299-E312 WeakPolarHBondContact CG2-O 3.4Å; I310-E312 PolarHBondContact O-N 3.33Å
313G98.1Very high94.8Very high0 Ų042.2 Ų42.20%024%0.238CC..SBendtrans164.6-164.6-176.800000111.1V292 L293 L311V292-G313 VanDerWaalsContact CG1-CA 3.45Å; L293-G313 CarbonylContact O-C 3.59Å; L293-G313 WeakPolarHBondContact O-CA 3.46Å; L311-G313 VanDerWaalsContact CG-O 3.26Å; L311-G313 WeakPolarHBondContact CG-O 3.44Å
314M98.6Very high94.2Very high1 Ų137.5 Ų37.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-105.3131.6179.1-17261-134.300111.2V292 L293 V298 A302 F306 W329 E330 L333 L334 L352V292-M314 CarbonylContact C-O 3.58Å; V292-M314 WeakPolarHBondContact CA-O 3.25Å; L293-M314 PolarHBondContact N-O 3.44Å; L293-M314 PolarHBondContact O-N 3.47Å; V298-M314 HydrophobicContact CG1-CB 3.55Å; A302-M314 HydrophobicContact CB-CB 4.24Å; A302-M314 HydrophobicContact CB-SD 4.38Å; F306-M314 HydrophobicContact CE2-CE 4.31Å; F306-M314 HydrophobicContact CE2-SD 3.64Å; F306-M314 HydrophobicContact CZ-CE 4.29Å; F306-M314 HydrophobicContact CZ-SD 4.15Å; M314-W329 HydrophobicContact CB-CE3 4.18Å; M314-W329 HydrophobicContact CB-CH2 4.29Å; M314-W329 HydrophobicContact CB-CZ3 3.74Å; M314-W329 HydrophobicContact CG-CD2 4.21Å; M314-W329 HydrophobicContact CG-CE3 3.54Å; M314-W329 HydrophobicContact CG-CH2 4.35Å; M314-W329 HydrophobicContact CG-CZ3 3.64Å; M314-E330 HydrophobicContact CE-CB 4.47Å; M314-L333 HydrophobicContact CE-CB 3.68Å; M314-L333 HydrophobicContact CE-CD1 3.68Å; M314-L333 HydrophobicContact CE-CG 4.36Å; M314-L334 HydrophobicContact CE-CD1 3.45Å; M314-L334 VanDerWaalsContact CE-CD1 3.45Å; M314-L334 HydrophobicContact CE-CD2 4.36Å; M314-L334 HydrophobicContact CE-CG 3.63Å; M314-L334 HydrophobicContact CG-CD1 3.99Å; M314-L334 HydrophobicContact SD-CD1 3.73Å; M314-L334 HydrophobicContact SD-CD2 4.43Å; M314-L334 HydrophobicContact SD-CG 4.21Å; M314-L352 HydrophobicContact SD-CD1 4.5Å
315E98.6Very high93.9Very high2 Ų233.3 Ų33.31%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-67.8134.3177.9-63.9178.3-179.300110.9R276 V290 H291 V292 E330 R332 L333R276-E315 IonicContact CZ-OE1 2.71Å; R276-E315 IonicContact NE-OE1 3.44Å; R276-E315 PolarHBondContact NE-OE1 2.84Å; R276-E315 IonicContact NH2-OE1 2.76Å; R276-E315 PolarHBondContact NH2-OE1 3.49Å; V290-E315 HydrophobicContact CB-CG 4.38Å; V290-E315 HydrophobicContact CG2-CG 4.1Å; H291-E315 WeakPolarHBondContact O-CA 3.31Å; V292-E315 HydrophobicContact CG2-CG 4.15Å; E315-E330 HydrophobicContact CB-CB 3.75Å; E315-E330 HydrophobicContact CB-CG 4.22Å; E315-E330 WeakPolarHBondContact O-CB 3.36Å; E315-E330 PolarHBondContact O-N 2.78Å; E315-E330 VanDerWaalsContact O-N 3.1Å; E315-R332 IonicContact OE2-NH2 3.89Å; E315-R332 PolarHBondContact OE2-NH2 2.91Å; E315-L333 HydrophobicContact CB-CD1 3.96Å; E315-L333 HydrophobicContact CG-CD1 4.05Å; E315-L333 VanDerWaalsContact OE2-CD1 3.26Å; E315-L333 WeakPolarHBondContact OE2-CD1 3.38Å
316L98.3Very high93.7Very high0 Ų032.7 Ų32.70%020%0.204CC..EExtended strand (participates in β ladder)trans-91.5150.5168-64.1171.9000109F230 F235 I271 H291 L293 N318 L326 H328 W329F230-L316 HydrophobicContact CE2-CD2 4.09Å; F230-L316 HydrophobicContact CZ-CD2 4.04Å; F235-L316 HydrophobicContact CE2-CD1 3.98Å; F235-L316 HydrophobicContact CZ-CD1 4.48Å; I271-L316 HydrophobicContact CD1-CD1 3.58Å; I271-L316 HydrophobicContact CG1-CD1 3.98Å; H291-L316 HydrophobicContact CB-CB 4.5Å; H291-L316 PolarHBondContact O-N 3.1Å; L293-L316 HydrophobicContact CB-CD1 4.46Å; L293-L316 HydrophobicContact CB-CG 4.35Å; L293-L316 HydrophobicContact CD1-CD1 4.46Å; L293-L316 HydrophobicContact CD1-CD2 4.25Å; L316-N318 PolarHBondContact O-N 2.87Å; L316-L326 HydrophobicContact CD1-CD2 4.29Å; L316-H328 WeakPolarHBondContact CA-O 3.31Å; L316-W329 HydrophobicContact CD2-CE3 3.8Å; L316-W329 HydrophobicContact CD2-CZ3 3.73Å
317E97.4Very high93.5Very high0 Ų032.9 Ų32.90%021%0.205CC..PPolyproline II helixtrans-51.7132.7176.1-179.758.8-117.200111.6Q319 T324 E325 L326 H328 I464E317-Q319 WeakPolarHBondContact OE1-CA 3.25Å; E317-Q319 WeakPolarHBondContact OE1-CB 3.37Å; E317-Q319 PolarHBondContact OE1-N 3.38Å; E317-T324 HydrophobicContact CG-CG2 3.7Å; E317-E325 CarbonylContact O-C 3.59Å; E317-E325 WeakPolarHBondContact O-CA 3.36Å; E317-E325 WeakPolarHBondContact O-CG 3.32Å; E317-L326 PolarHBondContact O-N 3.06Å; E317-H328 HydrophobicContact CB-CB 4.03Å; E317-H328 PolarHBondContact N-O 3.16Å; E317-I464 WeakPolarHBondContact OE2-CB 3.37Å; E317-I464 VanDerWaalsContact OE2-O 3.12Å
318N93.6Very high93.5Very high29 Ų2929.2 Ų29.216%0.15518%0.18CC..  trans-115.4-0.9-178.464.6-21.2000113.1H288 L316 E330H288-N318 PolarHBondContact CE1-ND2 3.5Å; H288-N318 VanDerWaalsContact CE1-ND2 3.29Å; H288-N318 PolarHBondContact NE2-ND2 3.5Å; L316-N318 PolarHBondContact O-N 2.87Å; N318-E330 PolarHBondContact OD1-OE2 3.1Å
319Q91Very high93.5Very high18 Ų1829.2 Ų29.28%0.08418%0.18CC..  trans-122.2-176.4178.8-59.1-177.9-75.800112.3E317 G321 T324 E325 E463 I464 D466E317-Q319 WeakPolarHBondContact OE1-CA 3.25Å; E317-Q319 WeakPolarHBondContact OE1-CB 3.37Å; E317-Q319 PolarHBondContact OE1-N 3.38Å; Q319-G321 VanDerWaalsContact C-N 3.3Å; Q319-G321 PolarHBondContact O-N 2.81Å; Q319-T324 WeakPolarHBondContact O-CB 3.06Å; Q319-E325 PolarHBondContact O-N 2.6Å; Q319-E463 PolarHBondContact OE1-O 3.05Å; Q319-I464 HydrophobicContact CB-CB 4.45Å; Q319-I464 HydrophobicContact CB-CG2 4.11Å; Q319-D466 VanDerWaalsContact OE1-CA 3.24Å; Q319-D466 PolarHBondContact OE1-OD1 3.43Å
320G84.6Confident93.5Very high30 Ų3024.6 Ų24.631%0.30915%0.15SC..SBendtrans77.29.4176.200000115.4T324G320-T324 WeakPolarHBondContact O-CB 3.24Å; G320-T324 PolarHBondContact O-OG1 2.98Å
321G86.4Confident93.4Very high42 Ų4219.3 Ų19.343%0.43312%0.122SC..  trans75.6-177.1177.100000114.1Q319 G323 T324 E325Q319-G321 VanDerWaalsContact C-N 3.3Å; Q319-G321 PolarHBondContact O-N 2.81Å; G321-G323 PolarHBondContact O-N 3.24Å; G321-T324 PolarHBondContact O-N 3.4Å; G321-E325 VanDerWaalsContact O-CB 3.29Å; G321-E325 WeakPolarHBondContact O-CB 3.49Å; G321-E325 PolarHBondContact O-N 3.49Å
322T81.6Confident93.4Very high129 Ų12919.3 Ų19.379%0.79112%0.123SC*.THydrogen-bonded Turntrans-59.5-21.9-169.655.30000115.4N327T322-N327 PolarHBondContact O-ND2 3.11Å
323G79.9Confident93.4Very high10 Ų1016.2 Ų16.210%0.10311%0.108CC..THydrogen-bonded Turntrans-83.1-16.6176.200000114.4T13 H14 G321 H328T13-G323 CarbonylContact C-O 3.53Å; H14-G323 WeakPolarHBondContact CA-O 3.33Å; H14-G323 PolarHBondContact N-O 3.19Å; H14-G323 CarbonylContact O-C 3.47Å; H14-G323 WeakPolarHBondContact O-CA 3.23Å; G321-G323 PolarHBondContact O-N 3.24Å; G323-H328 PolarHBondContact O-CE1 3.06Å
324T85.8Confident93.4Very high0 Ų016.2 Ų16.20%011%0.108CC..THydrogen-bonded Turntrans-111.2-50.7-176-44.40000109.7T11 C12 E317 Q319 G320 G321 N327 H328 I464T11-T324 HydrophobicContact CG2-CG2 4.12Å; C12-T324 PolarHBondContact O-OG1 2.96Å; C12-T324 VanDerWaalsContact O-OG1 3.05Å; E317-T324 HydrophobicContact CG-CG2 3.7Å; Q319-T324 WeakPolarHBondContact O-CB 3.06Å; G320-T324 WeakPolarHBondContact O-CB 3.24Å; G320-T324 PolarHBondContact O-OG1 2.98Å; G321-T324 PolarHBondContact O-N 3.4Å; T324-N327 PolarHBondContact O-N 3.45Å; T324-H328 PolarHBondContact O-ND1 2.61Å; T324-I464 HydrophobicContact CG2-CD1 4.17Å; T324-I464 HydrophobicContact CG2-CG2 4.21Å
325E91.4Very high93.2Very high65 Ų6516.2 Ų16.230%0.30411%0.108SC..THydrogen-bonded Turntrans-52137.2177.6-158.7-166.7161.400110.8E317 Q319 G321 N327E317-E325 CarbonylContact O-C 3.59Å; E317-E325 WeakPolarHBondContact O-CA 3.36Å; E317-E325 WeakPolarHBondContact O-CG 3.32Å; Q319-E325 PolarHBondContact O-N 2.6Å; G321-E325 VanDerWaalsContact O-CB 3.29Å; G321-E325 WeakPolarHBondContact O-CB 3.49Å; G321-E325 PolarHBondContact O-N 3.49Å; E325-N327 PolarHBondContact O-N 2.88Å; E325-N327 PolarHBondContact O-ND2 2.75Å
326L94.8Very high93Very high10 Ų1016.6 Ų16.65%0.05211%0.11CC..THydrogen-bonded Turntrans62.5-22-179.4-56.6171.2000116.5A232 F235 W266 H291 L316 E317 H328A232-L326 HydrophobicContact CB-CB 3.85Å; F235-L326 VanDerWaalsContact CE2-O 3.24Å; F235-L326 WeakPolarHBondContact CE2-O 3.36Å; W266-L326 HydrophobicContact CH2-CD1 3.64Å; W266-L326 HydrophobicContact CZ2-CD1 4.47Å; W266-L326 HydrophobicContact CZ3-CD1 4.36Å; H291-L326 HydrophobicContact CB-CD2 3.71Å; L316-L326 HydrophobicContact CD1-CD2 4.29Å; E317-L326 PolarHBondContact O-N 3.06Å; L326-H328 VanDerWaalsContact C-N 3.32Å
327N95.3Very high92.9Very high3 Ų316.6 Ų16.62%0.01611%0.11CC..THydrogen-bonded Turntrans-86.7-9.1-175.9-69.9-78.5000112.8H14 V16 H226 F230 S231 A232 T322 T324 E325H14-N327 HydrophobicContact CB-CB 4.38Å; H14-N327 PolarHBondContact CD2-OD1 3.29Å; H14-N327 VanDerWaalsContact CD2-OD1 3.29Å; V16-N327 WeakPolarHBondContact CG2-OD1 3.27Å; H226-N327 PolarHBondContact CE1-O 3.15Å; H226-N327 VanDerWaalsContact CE1-O 3.24Å; F230-N327 VanDerWaalsContact CD2-O 3.31Å; F230-N327 WeakPolarHBondContact CD2-O 3.25Å; F230-N327 WeakPolarHBondContact CE2-O 3.48Å; S231-N327 PolarHBondContact OG-OD1 2.97Å; A232-N327 WeakPolarHBondContact CB-OD1 3.14Å; A232-N327 PolarHBondContact N-OD1 3.24Å; T322-N327 PolarHBondContact O-ND2 3.11Å; T324-N327 PolarHBondContact O-N 3.45Å; E325-N327 PolarHBondContact O-N 2.88Å; E325-N327 PolarHBondContact O-ND2 2.75Å
328H97.6Very high92.8Very high0 Ų016.6 Ų16.60%011%0.11CC..SBendtrans-133.2162.3-175.4-60.398000111.3H222 H226 L316 E317 G323 T324 L326 M339H222-H328 AromaticContact CE1-CD2 3.52Å; H222-H328 AromaticContact CE1-NE2 3.56Å; H222-H328 AromaticContact NE2-CD2 3.83Å; H222-H328 AromaticContact NE2-NE2 3.36Å; H222-H328 PolarHBondContact NE2-NE2 2.66Å; H226-H328 AromaticContact CE1-CD2 3.85Å; H226-H328 AromaticContact CE1-NE2 3.57Å; H226-H328 AromaticContact NE2-CD2 3.94Å; H226-H328 AromaticContact NE2-NE2 3.31Å; H226-H328 PolarHBondContact NE2-NE2 3.01Å; L316-H328 WeakPolarHBondContact CA-O 3.31Å; E317-H328 HydrophobicContact CB-CB 4.03Å; E317-H328 PolarHBondContact N-O 3.16Å; G323-H328 PolarHBondContact O-CE1 3.06Å; T324-H328 PolarHBondContact O-ND1 2.61Å; L326-H328 VanDerWaalsContact C-N 3.32Å; H328-M339 CarbonylContact C-O 3.14Å; H328-M339 VanDerWaalsContact CA-O 3.25Å; H328-M339 WeakPolarHBondContact CA-O 2.98Å; H328-M339 VanDerWaalsContact CB-O 3.25Å; H328-M339 WeakPolarHBondContact CB-O 3.42Å; H328-M339 PolarHBondContact CD2-O 3.29Å
329W98.4Very high93Very high0 Ų015.2 Ų15.20%010%0.103CC..BIsolated β-bridgetrans-69.9146.6165.8-72.1136000112.3F230 L293 V298 M314 L316 K331 L334 E337 M339 T340 L352 T353 I356F230-W329 AromaticContact CE1-CD1 3.98Å; F230-W329 AromaticContact CE1-CD2 3.84Å; F230-W329 HydrophobicContact CE1-CD2 3.84Å; F230-W329 AromaticContact CE1-CE2 3.37Å; F230-W329 HydrophobicContact CE1-CE3 4.47Å; F230-W329 HydrophobicContact CE1-CG 4.2Å; F230-W329 HydrophobicContact CE1-CH2 4.25Å; F230-W329 AromaticContact CE1-CZ2 3.61Å; F230-W329 HydrophobicContact CE1-CZ2 3.61Å; F230-W329 AromaticContact CE1-NE1 3.5Å; F230-W329 AromaticContact CZ-CD2 3.75Å; F230-W329 HydrophobicContact CZ-CD2 3.75Å; F230-W329 AromaticContact CZ-CE2 3.76Å; F230-W329 HydrophobicContact CZ-CE3 4.03Å; F230-W329 HydrophobicContact CZ-CG 4.18Å; F230-W329 HydrophobicContact CZ-CH2 4.26Å; F230-W329 HydrophobicContact CZ-CZ2 4.03Å; F230-W329 HydrophobicContact CZ-CZ3 4.26Å; L293-W329 HydrophobicContact CB-CZ3 4.26Å; L293-W329 HydrophobicContact CD1-CH2 4.33Å; L293-W329 HydrophobicContact CD1-CZ3 4.42Å; V298-W329 HydrophobicContact CG1-CH2 3.94Å; V298-W329 HydrophobicContact CG1-CZ3 4.45Å; V298-W329 HydrophobicContact CG2-CH2 4.3Å; M314-W329 HydrophobicContact CB-CE3 4.18Å; M314-W329 HydrophobicContact CB-CH2 4.29Å; M314-W329 HydrophobicContact CB-CZ3 3.74Å; M314-W329 HydrophobicContact CG-CD2 4.21Å; M314-W329 HydrophobicContact CG-CE3 3.54Å; M314-W329 HydrophobicContact CG-CH2 4.35Å; M314-W329 HydrophobicContact CG-CZ3 3.64Å; L316-W329 HydrophobicContact CD2-CE3 3.8Å; L316-W329 HydrophobicContact CD2-CZ3 3.73Å; W329-K331 PolarHBondContact O-N 3.08Å; W329-K331 VanDerWaalsContact O-N 3.17Å; W329-L334 HydrophobicContact CB-CD1 3.72Å; W329-L334 HydrophobicContact CD2-CD1 4.14Å; W329-L334 HydrophobicContact CG-CD1 3.69Å; W329-E337 VanDerWaalsContact CD1-OE2 3.23Å; W329-M339 PolarHBondContact N-O 3.47Å; W329-T340 HydrophobicContact CB-CG2 4.17Å; W329-L352 HydrophobicContact CZ2-CB 4.44Å; W329-T353 PolarHBondContact NE1-OG1 3.13Å; W329-I356 HydrophobicContact CH2-CB 4Å; W329-I356 HydrophobicContact CH2-CD1 3.8Å; W329-I356 HydrophobicContact CH2-CG1 4.28Å; W329-I356 HydrophobicContact CH2-CG2 4.39Å; W329-I356 HydrophobicContact CZ2-CB 3.79Å; W329-I356 HydrophobicContact CZ2-CD1 4.04Å; W329-I356 HydrophobicContact CZ2-CG1 4.45Å; W329-I356 HydrophobicContact CZ2-CG2 3.72Å
330E98.1Very high93.2Very high0 Ų014.4 Ų14.40%010%0.099CC..  trans-57114.3174.3175.343.9-119.600111.6M314 E315 N318 R332 L333 L334M314-E330 HydrophobicContact CE-CB 4.47Å; E315-E330 HydrophobicContact CB-CB 3.75Å; E315-E330 HydrophobicContact CB-CG 4.22Å; E315-E330 WeakPolarHBondContact O-CB 3.36Å; E315-E330 PolarHBondContact O-N 2.78Å; E315-E330 VanDerWaalsContact O-N 3.1Å; N318-E330 PolarHBondContact OD1-OE2 3.1Å; E330-R332 HydrophobicContact CG-CB 4.27Å; E330-R332 PolarHBondContact O-N 2.71Å; E330-R332 WeakPolarHBondContact OE1-CB 3.11Å; E330-R332 PolarHBondContact OE1-N 2.9Å; E330-L333 HydrophobicContact CB-CB 4.45Å; E330-L333 HydrophobicContact CB-CD1 4.37Å; E330-L333 HydrophobicContact CG-CB 4.18Å; E330-L333 HydrophobicContact CG-CD1 4.02Å; E330-L333 HydrophobicContact CG-CG 3.92Å; E330-L333 PolarHBondContact O-N 3.2Å; E330-L334 PolarHBondContact O-N 2.96Å; E330-L334 VanDerWaalsContact O-N 3.12Å
331K96.9Very high93.4Very high1 Ų113 Ų130%0.0048%0.084CC..Hα-helixtrans-71.5-31.1-171.4-167.5173.9177.473.60112.9W329 L333 L334 E335 T340 S342 T344 V462 I464 A465W329-K331 PolarHBondContact O-N 3.08Å; W329-K331 VanDerWaalsContact O-N 3.17Å; K331-L333 PolarHBondContact O-N 3.17Å; K331-L334 PolarHBondContact O-N 2.67Å; K331-E335 PolarHBondContact NZ-O 2.9Å; K331-E335 WeakPolarHBondContact O-CA 3.27Å; K331-E335 PolarHBondContact O-N 3.42Å; K331-T340 HydrophobicContact CB-CG2 4.36Å; K331-T340 HydrophobicContact CG-CG2 4.27Å; K331-S342 WeakPolarHBondContact CD-OG 3.39Å; K331-S342 WeakPolarHBondContact CE-OG 3.42Å; K331-S342 PolarHBondContact NZ-O 2.93Å; K331-S342 PolarHBondContact NZ-OG 2.94Å; K331-T344 PolarHBondContact NZ-OG1 3.03Å; K331-V462 HydrophobicContact CD-CG1 3.84Å; K331-I464 HydrophobicContact CB-CD1 4.33Å; K331-I464 HydrophobicContact CB-CG1 4.2Å; K331-I464 VanDerWaalsContact CB-O 3.32Å; K331-I464 WeakPolarHBondContact CB-O 3.34Å; K331-I464 HydrophobicContact CD-CD1 3.77Å; K331-I464 HydrophobicContact CD-CG1 3.74Å; K331-A465 HydrophobicContact CB-CB 4.47Å; K331-A465 HydrophobicContact CG-CB 4.47Å
332R97.6Very high93.4Very high1 Ų111 Ų110%0.0046%0.064CC..Hα-helixtrans-54.8-37.8173.1-179.6-173.956.789.81.9111.3E315 E330 W375 F383 V384 K386 F405 D466 C468E315-R332 IonicContact OE2-NH2 3.89Å; E315-R332 PolarHBondContact OE2-NH2 2.91Å; E330-R332 HydrophobicContact CG-CB 4.27Å; E330-R332 PolarHBondContact O-N 2.71Å; E330-R332 WeakPolarHBondContact OE1-CB 3.11Å; E330-R332 PolarHBondContact OE1-N 2.9Å; R332-W375 WeakPolarHBondContact O-CZ2 3.4Å; R332-W375 PolarHBondContact O-NE1 2.87Å; R332-F383 PolarHBondContact NH1-O 2.87Å; R332-V384 PolarHBondContact NH2-O 3.39Å; R332-K386 PolarHBondContact NH1-O 2.48Å; R332-F405 HydrophobicContact CG-CE1 4.21Å; R332-F405 HydrophobicContact CG-CZ 4.01Å; R332-D466 WeakPolarHBondContact CD-OD2 3.41Å; R332-D466 IonicContact CZ-OD2 3.8Å; R332-D466 IonicContact NE-OD2 3.48Å; R332-D466 PolarHBondContact NE-OD2 2.85Å; R332-C468 HydrophobicContact CG-CB 4.24Å
333L98.1Very high93.6Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-91.6-26.3-172.8-68.8-179.1000114.5F306 M314 E315 E330 K331 W375 F383 V384F306-L333 WeakPolarHBondContact CE1-O 3.23Å; F306-L333 HydrophobicContact CZ-CB 4.13Å; M314-L333 HydrophobicContact CE-CB 3.68Å; M314-L333 HydrophobicContact CE-CD1 3.68Å; M314-L333 HydrophobicContact CE-CG 4.36Å; E315-L333 HydrophobicContact CB-CD1 3.96Å; E315-L333 HydrophobicContact CG-CD1 4.05Å; E315-L333 VanDerWaalsContact OE2-CD1 3.26Å; E315-L333 WeakPolarHBondContact OE2-CD1 3.38Å; E330-L333 HydrophobicContact CB-CB 4.45Å; E330-L333 HydrophobicContact CB-CD1 4.37Å; E330-L333 HydrophobicContact CG-CB 4.18Å; E330-L333 HydrophobicContact CG-CD1 4.02Å; E330-L333 HydrophobicContact CG-CG 3.92Å; E330-L333 PolarHBondContact O-N 3.2Å; K331-L333 PolarHBondContact O-N 3.17Å; L333-W375 VanDerWaalsContact C-CD1 3.48Å; L333-W375 PolarHBondContact O-NE1 3.38Å; L333-F383 HydrophobicContact CD2-CD1 4.24Å; L333-F383 HydrophobicContact CD2-CE1 3.95Å; L333-V384 HydrophobicContact CD1-CG2 3.74Å; L333-V384 HydrophobicContact CD2-CB 4.24Å; L333-V384 HydrophobicContact CD2-CG2 3.98Å; L333-V384 HydrophobicContact CG-CG2 4.47Å
334L97.1Very high93.5Very high0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-127.3-9.9-172.1-67.9179.6000114.8F306 M314 W329 E330 K331 N336 E337 T340 L352 L373F306-L334 HydrophobicContact CE2-CD2 4.36Å; F306-L334 HydrophobicContact CZ-CD2 3.7Å; F306-L334 HydrophobicContact CZ-CG 4.39Å; M314-L334 HydrophobicContact CE-CD1 3.45Å; M314-L334 VanDerWaalsContact CE-CD1 3.45Å; M314-L334 HydrophobicContact CE-CD2 4.36Å; M314-L334 HydrophobicContact CE-CG 3.63Å; M314-L334 HydrophobicContact CG-CD1 3.99Å; M314-L334 HydrophobicContact SD-CD1 3.73Å; M314-L334 HydrophobicContact SD-CD2 4.43Å; M314-L334 HydrophobicContact SD-CG 4.21Å; W329-L334 HydrophobicContact CB-CD1 3.72Å; W329-L334 HydrophobicContact CD2-CD1 4.14Å; W329-L334 HydrophobicContact CG-CD1 3.69Å; E330-L334 PolarHBondContact O-N 2.96Å; E330-L334 VanDerWaalsContact O-N 3.12Å; K331-L334 PolarHBondContact O-N 2.67Å; L334-N336 PolarHBondContact O-N 3.25Å; L334-E337 HydrophobicContact CB-CB 3.74Å; L334-E337 HydrophobicContact CB-CG 4.39Å; L334-E337 WeakPolarHBondContact O-CB 3.31Å; L334-E337 PolarHBondContact O-N 2.92Å; L334-T340 HydrophobicContact CB-CG2 4.15Å; L334-L352 HydrophobicContact CD1-CD1 3.74Å; L334-L352 HydrophobicContact CD2-CD1 3.46Å; L334-L352 VanDerWaalsContact CD2-CD1 3.46Å; L334-L352 HydrophobicContact CG-CD1 4.29Å; L334-L373 HydrophobicContact CD2-CD2 3.65Å
335E95.5Very high93.4Very high0 Ų06.9 Ų6.90%03%0.033CC..THydrogen-bonded Turntrans39.1-86.9171.9-156.5-78.2149.300116.7K331 E337 T340 T344 Q345 W375 F470K331-E335 PolarHBondContact NZ-O 2.9Å; K331-E335 WeakPolarHBondContact O-CA 3.27Å; K331-E335 PolarHBondContact O-N 3.42Å; E335-E337 VanDerWaalsContact C-N 3.31Å; E335-T340 PolarHBondContact O-OG1 2.86Å; E335-T344 WeakPolarHBondContact OE1-CB 3.1Å; E335-T344 PolarHBondContact OE1-OG1 3.13Å; E335-Q345 WeakPolarHBondContact OE1-CG 3.23Å; E335-Q345 PolarHBondContact OE1-NE2 3.45Å; E335-Q345 PolarHBondContact OE2-NE2 3.4Å; E335-W375 HydrophobicContact CB-CB 4.44Å; E335-W375 HydrophobicContact CB-CD2 3.31Å; E335-W375 VanDerWaalsContact CB-CE2 3.46Å; E335-W375 HydrophobicContact CB-CE3 3.6Å; E335-W375 HydrophobicContact CB-CG 3.67Å; E335-W375 HydrophobicContact CB-CH2 4.08Å; E335-W375 HydrophobicContact CB-CZ2 3.88Å; E335-W375 HydrophobicContact CB-CZ3 3.95Å; E335-W375 HydrophobicContact CG-CD2 4.04Å; E335-W375 HydrophobicContact CG-CE3 3.8Å; E335-W375 HydrophobicContact CG-CH2 3.89Å; E335-W375 HydrophobicContact CG-CZ2 4.16Å; E335-W375 HydrophobicContact CG-CZ3 3.7Å; E335-F470 HydrophobicContact CG-CD2 4.25Å; E335-F470 HydrophobicContact CG-CE2 3.83Å; E335-F470 HydrophobicContact CG-CZ 4.01Å; E335-F470 WeakPolarHBondContact OE1-CE2 3.45Å
336N93.8Very high93Very high11 Ų116.6 Ų6.66%0.0593%0.033CC..THydrogen-bonded Turntrans-91.112.5-178.967.7-42000113.3L334 A338 Q345 N346 R347 V348 L373L334-N336 PolarHBondContact O-N 3.25Å; N336-A338 PolarHBondContact O-N 3.13Å; N336-Q345 HydrophobicContact CB-CB 4.15Å; N336-N346 WeakPolarHBondContact CB-O 3.29Å; N336-N346 PolarHBondContact ND2-O 2.86Å; N336-N346 VanDerWaalsContact ND2-O 3.16Å; N336-R347 CarbonylContact O-C 3.45Å; N336-R347 VanDerWaalsContact O-CA 3.25Å; N336-R347 WeakPolarHBondContact O-CA 3.2Å; N336-V348 WeakPolarHBondContact ND2-CG2 3.4Å; N336-V348 PolarHBondContact O-N 2.77Å; N336-L373 WeakPolarHBondContact OD1-CD1 3.38Å
337E96.6Very high92.8Very high0 Ų07.5 Ų7.50%04%0.036CC..BIsolated β-bridgetrans-60.5134.5165-146.8-65150.500109.5W329 L334 E335 M339 T340 V348 S350 T353 L373W329-E337 VanDerWaalsContact CD1-OE2 3.23Å; L334-E337 HydrophobicContact CB-CB 3.74Å; L334-E337 HydrophobicContact CB-CG 4.39Å; L334-E337 WeakPolarHBondContact O-CB 3.31Å; L334-E337 PolarHBondContact O-N 2.92Å; E335-E337 VanDerWaalsContact C-N 3.31Å; E337-M339 PolarHBondContact O-N 2.89Å; E337-M339 VanDerWaalsContact O-N 3.15Å; E337-M339 PolarHBondContact OE2-N 2.75Å; E337-T340 HydrophobicContact CB-CG2 4.1Å; E337-T340 WeakPolarHBondContact O-CG2 3.46Å; E337-T340 PolarHBondContact O-N 3.24Å; E337-T340 VanDerWaalsContact O-N 3.11Å; E337-T340 PolarHBondContact O-OG1 3.46Å; E337-V348 WeakPolarHBondContact CA-O 3.43Å; E337-S350 VanDerWaalsContact CG-OG 3.23Å; E337-S350 WeakPolarHBondContact CG-OG 3.35Å; E337-S350 WeakPolarHBondContact OE1-CB 3.44Å; E337-S350 PolarHBondContact OE1-N 2.72Å; E337-S350 PolarHBondContact OE1-OG 3.44Å; E337-T353 VanDerWaalsContact OE1-CB 3.26Å; E337-T353 WeakPolarHBondContact OE1-CB 3.25Å; E337-T353 PolarHBondContact OE1-OG1 2.76Å; E337-T353 PolarHBondContact OE2-OG1 2.97Å; E337-L373 HydrophobicContact CB-CD1 4.39Å; E337-L373 HydrophobicContact CB-CD2 4.05Å; E337-L373 HydrophobicContact CG-CD2 3.89Å
338A94.9Very high92.7Very high0 Ų08.2 Ų8.20%04%0.041CC..THydrogen-bonded Turntrans-59.9-27.7-168.900000114.1H222 N336 R347 V348 F349H222-A338 PolarHBondContact ND1-O 2.86Å; N336-A338 PolarHBondContact O-N 3.13Å; A338-R347 HydrophobicContact CB-CB 4.17Å; A338-V348 WeakPolarHBondContact CB-O 3.33Å; A338-V348 PolarHBondContact N-O 3.35Å; A338-F349 HydrophobicContact CB-CB 4.42Å; A338-F349 HydrophobicContact CB-CD1 3.54Å; A338-F349 HydrophobicContact CB-CD2 3.72Å; A338-F349 HydrophobicContact CB-CE1 3.47Å; A338-F349 VanDerWaalsContact CB-CE1 3.47Å; A338-F349 HydrophobicContact CB-CE2 3.65Å; A338-F349 HydrophobicContact CB-CG 3.65Å; A338-F349 HydrophobicContact CB-CZ 3.52Å
339M96.7Very high92.6Very high0 Ų08.2 Ų8.20%04%0.041CC..THydrogen-bonded Turntrans-98.922180-58.4-53.3-57.100113.3H222 I225 H226 F230 H328 W329 E337 T353H222-M339 HydrophobicContact CB-SD 4.26Å; I225-M339 HydrophobicContact CB-CE 4.09Å; I225-M339 HydrophobicContact CB-SD 3.86Å; I225-M339 HydrophobicContact CD1-SD 3.99Å; I225-M339 HydrophobicContact CG2-CE 3.75Å; I225-M339 HydrophobicContact CG2-CG 4.3Å; I225-M339 HydrophobicContact CG2-SD 3.72Å; H226-M339 VanDerWaalsContact CE1-CE 3.48Å; H226-M339 WeakPolarHBondContact CE1-CE 3.43Å; F230-M339 HydrophobicContact CB-CE 4.34Å; F230-M339 HydrophobicContact CD1-CB 4.06Å; F230-M339 HydrophobicContact CD1-CE 4.31Å; F230-M339 HydrophobicContact CD1-CG 4.04Å; F230-M339 HydrophobicContact CE1-CB 3.84Å; F230-M339 HydrophobicContact CE1-CG 4.29Å; F230-M339 HydrophobicContact CG-CE 4.35Å; H328-M339 CarbonylContact C-O 3.14Å; H328-M339 VanDerWaalsContact CA-O 3.25Å; H328-M339 WeakPolarHBondContact CA-O 2.98Å; H328-M339 VanDerWaalsContact CB-O 3.25Å; H328-M339 WeakPolarHBondContact CB-O 3.42Å; H328-M339 PolarHBondContact CD2-O 3.29Å; W329-M339 PolarHBondContact N-O 3.47Å; E337-M339 PolarHBondContact O-N 2.89Å; E337-M339 VanDerWaalsContact O-N 3.15Å; E337-M339 PolarHBondContact OE2-N 2.75Å; M339-T353 HydrophobicContact CG-CG2 3.67Å; M339-T353 VanDerWaalsContact CG-OG1 3.24Å; M339-T353 WeakPolarHBondContact CG-OG1 3.3Å
340T96.3Very high92.6Very high0 Ų08.4 Ų8.40%04%0.042CC..BIsolated β-bridgetrans-80153.1164.559.40000111.4W329 K331 L334 E335 E337 S342W329-T340 HydrophobicContact CB-CG2 4.17Å; K331-T340 HydrophobicContact CB-CG2 4.36Å; K331-T340 HydrophobicContact CG-CG2 4.27Å; L334-T340 HydrophobicContact CB-CG2 4.15Å; E335-T340 PolarHBondContact O-OG1 2.86Å; E337-T340 HydrophobicContact CB-CG2 4.1Å; E337-T340 WeakPolarHBondContact O-CG2 3.46Å; E337-T340 PolarHBondContact O-N 3.24Å; E337-T340 VanDerWaalsContact O-N 3.11Å; E337-T340 PolarHBondContact O-OG1 3.46Å; T340-S342 PolarHBondContact O-N 3.49Å
341G89Confident92.6Very high0 Ų012.1 Ų12.10%06%0.056CC..SBendtrans-7413.8-171.900000116.2T11 C12 I464T11-G341 CarbonylContact C-O 3.55Å; T11-G341 WeakPolarHBondContact CA-O 3.36Å; T11-G341 WeakPolarHBondContact CG2-O 3.5Å; C12-G341 PolarHBondContact N-O 3.11Å; G341-I464 WeakPolarHBondContact O-CD1 3.35Å
342S86.8Confident92.7Very high1 Ų112.2 Ų12.21%0.0076%0.057CC..EExtended strand (participates in β ladder)trans-161.3154.5172.363.80000113.7R10 K331 T340 I464R10-S342 VanDerWaalsContact O-CA 3.25Å; R10-S342 WeakPolarHBondContact O-CA 3.32Å; R10-S342 WeakPolarHBondContact O-CB 3.47Å; K331-S342 WeakPolarHBondContact CD-OG 3.39Å; K331-S342 WeakPolarHBondContact CE-OG 3.42Å; K331-S342 PolarHBondContact NZ-O 2.93Å; K331-S342 PolarHBondContact NZ-OG 2.94Å; T340-S342 PolarHBondContact O-N 3.49Å; S342-I464 WeakPolarHBondContact OG-CD1 3.31Å
343H85.3Confident92.7Very high46 Ų4612.2 Ų12.221%0.2136%0.057CC..EExtended strand (participates in β ladder)trans-96.1100.5176.2-173.6-86.4000112.3R10 Q345R10-H343 PolarHBondContact O-N 2.81Å; H343-Q345 PolarHBondContact NE2-O 2.85Å
344T78.5Confident92.7Very high2 Ų212.2 Ų12.21%0.0126%0.057CC..SBendtrans-102.9-35.2178.641.80000112.5H9 K331 E335 V462 F470H9-T344 WeakPolarHBondContact CE1-CG2 3.28Å; H9-T344 WeakPolarHBondContact ND1-CG2 3.44Å; K331-T344 PolarHBondContact NZ-OG1 3.03Å; E335-T344 WeakPolarHBondContact OE1-CB 3.1Å; E335-T344 PolarHBondContact OE1-OG1 3.13Å; T344-V462 HydrophobicContact CG2-CG1 4.46Å; T344-V462 HydrophobicContact CG2-CG2 3.77Å; T344-F470 HydrophobicContact CG2-CZ 4.01Å
345Q82.1Confident92.8Very high5 Ų512.2 Ų12.22%0.0236%0.057CC..SBendtrans-151.4171.4-168.5-60.9-162.5123.600109.7E335 N336 H343 R347 R419 S471 E473E335-Q345 WeakPolarHBondContact OE1-CG 3.23Å; E335-Q345 PolarHBondContact OE1-NE2 3.45Å; E335-Q345 PolarHBondContact OE2-NE2 3.4Å; N336-Q345 HydrophobicContact CB-CB 4.15Å; H343-Q345 PolarHBondContact NE2-O 2.85Å; Q345-R347 PolarHBondContact O-N 3.44Å; Q345-R347 VanDerWaalsContact O-N 3.08Å; Q345-R419 VanDerWaalsContact CD-CD 3.5Å; Q345-S471 PolarHBondContact OE1-O 3.33Å; Q345-E473 VanDerWaalsContact CB-OE1 3.31Å; Q345-E473 WeakPolarHBondContact CB-OE1 3.44Å; Q345-E473 HydrophobicContact CG-CB 4.11Å; Q345-E473 HydrophobicContact CG-CG 4.08Å; Q345-E473 VanDerWaalsContact OE1-N 3.12Å
346N83.9Confident93Very high58 Ų5812.2 Ų12.231%0.316%0.057SC..  trans-57.3116.1176.9-73.1-29.4000112N336 Y487N336-N346 WeakPolarHBondContact CB-O 3.29Å; N336-N346 PolarHBondContact ND2-O 2.86Å; N336-N346 VanDerWaalsContact ND2-O 3.16Å; N346-Y487 WeakPolarHBondContact ND2-CD2 3.24Å
347R90.1Very high93.2Very high29 Ų2911.7 Ų11.711%0.1095%0.054CC..  trans-68.9144.1-177-76.1178.8179.6135.8-11.1113.3S218 T219 N336 A338 Q345S218-R347 VanDerWaalsContact OG-CB 3.28Å; S218-R347 WeakPolarHBondContact OG-CB 3.42Å; S218-R347 WeakPolarHBondContact OG-CD 3.43Å; T219-R347 PolarHBondContact OG1-NH1 3.13Å; N336-R347 CarbonylContact O-C 3.45Å; N336-R347 VanDerWaalsContact O-CA 3.25Å; N336-R347 WeakPolarHBondContact O-CA 3.2Å; A338-R347 HydrophobicContact CB-CB 4.17Å; Q345-R347 PolarHBondContact O-N 3.44Å; Q345-R347 VanDerWaalsContact O-N 3.08Å
348V93.1Very high93.3Very high18 Ų1812.9 Ų12.911%0.1096%0.059CC..BIsolated β-bridgetrans-124.7120.6-178.7172.20000109.2N336 E337 A338 S350 Q371 R372 L373N336-V348 WeakPolarHBondContact ND2-CG2 3.4Å; N336-V348 PolarHBondContact O-N 2.77Å; E337-V348 WeakPolarHBondContact CA-O 3.43Å; A338-V348 WeakPolarHBondContact CB-O 3.33Å; A338-V348 PolarHBondContact N-O 3.35Å; V348-S350 PolarHBondContact O-N 3.42Å; V348-S350 VanDerWaalsContact O-N 3.14Å; V348-Q371 HydrophobicContact CB-CB 4.45Å; V348-Q371 HydrophobicContact CG1-CB 3.47Å; V348-Q371 VanDerWaalsContact CG1-CB 3.47Å; V348-R372 WeakPolarHBondContact CG1-O 3.21Å; V348-L373 HydrophobicContact CB-CD1 4.36Å; V348-L373 HydrophobicContact CG1-CB 4.19Å; V348-L373 HydrophobicContact CG1-CD1 4.46Å
349F96.3Very high93.4Very high0 Ų013.1 Ų13.10%06%0.061CC..  trans-81.293.1171.4-69.3-93.3000108.6Y76 K221 I225 A338 T353 Q371Y76-F349 HydrophobicContact CE1-CD1 4.41Å; Y76-F349 HydrophobicContact CE1-CG 4.33Å; Y76-F349 VanDerWaalsContact OH-CB 3.25Å; Y76-F349 WeakPolarHBondContact OH-CB 3.19Å; K221-F349 HydrophobicContact CB-CE1 3.88Å; K221-F349 HydrophobicContact CB-CE2 4.12Å; K221-F349 HydrophobicContact CB-CZ 3.37Å; K221-F349 HydrophobicContact CD-CE2 4.08Å; K221-F349 HydrophobicContact CD-CZ 4.16Å; K221-F349 VanDerWaalsContact CE-CE2 3.45Å; K221-F349 HydrophobicContact CG-CZ 4.38Å; I225-F349 HydrophobicContact CD1-CD1 3.74Å; I225-F349 HydrophobicContact CD1-CE1 3.54Å; A338-F349 HydrophobicContact CB-CB 4.42Å; A338-F349 HydrophobicContact CB-CD1 3.54Å; A338-F349 HydrophobicContact CB-CD2 3.72Å; A338-F349 HydrophobicContact CB-CE1 3.47Å; A338-F349 VanDerWaalsContact CB-CE1 3.47Å; A338-F349 HydrophobicContact CB-CE2 3.65Å; A338-F349 HydrophobicContact CB-CG 3.65Å; A338-F349 HydrophobicContact CB-CZ 3.52Å; F349-T353 HydrophobicContact CD1-CG2 4.33Å; F349-Q371 PolarHBondContact O-N 3.48Å
350S97.8Very high93.5Very high5 Ų513.1 Ų13.14%0.0356%0.061CC..  trans-83.7176.1-170.577.30000112.7E337 V348 L352 T353 L354E337-S350 VanDerWaalsContact CG-OG 3.23Å; E337-S350 WeakPolarHBondContact CG-OG 3.35Å; E337-S350 WeakPolarHBondContact OE1-CB 3.44Å; E337-S350 PolarHBondContact OE1-N 2.72Å; E337-S350 PolarHBondContact OE1-OG 3.44Å; V348-S350 PolarHBondContact O-N 3.42Å; V348-S350 VanDerWaalsContact O-N 3.14Å; S350-L352 PolarHBondContact O-N 3.47Å; S350-L352 WeakPolarHBondContact OG-CB 3.46Å; S350-L352 PolarHBondContact OG-N 2.96Å; S350-L352 VanDerWaalsContact OG-N 3.15Å; S350-T353 PolarHBondContact O-N 3.26Å; S350-L354 PolarHBondContact O-N 3.17Å
351R98.5Very high93.5Very high77 Ų7713.2 Ų13.229%0.2916%0.062SC..Hα-helixtrans-58.5-26171.4-61.1-176.669.987.16.9112.5E301 L354 A355 Y367 A370E301-R351 HydrophobicContact CG-CB 4.31Å; E301-R351 IonicContact OE1-CZ 3.42Å; E301-R351 VanDerWaalsContact OE1-CZ 3.32Å; E301-R351 IonicContact OE1-NE 3.52Å; E301-R351 PolarHBondContact OE1-NE 2.79Å; E301-R351 IonicContact OE1-NH2 2.91Å; E301-R351 PolarHBondContact OE1-NH2 3.27Å; E301-R351 WeakPolarHBondContact OE2-CB 3.29Å; E301-R351 WeakPolarHBondContact OE2-CD 3.42Å; E301-R351 IonicContact OE2-CZ 2.99Å; E301-R351 IonicContact OE2-NE 3.31Å; E301-R351 PolarHBondContact OE2-NE 3.13Å; R351-L354 PolarHBondContact O-N 2.89Å; R351-A355 VanDerWaalsContact O-CB 3.25Å; R351-A355 WeakPolarHBondContact O-CB 3.16Å; R351-A355 PolarHBondContact O-N 3.16Å; R351-Y367 HydrophobicContact CB-CD1 4.07Å; R351-Y367 HydrophobicContact CB-CE1 4.17Å; R351-Y367 HydrophobicContact CG-CD1 4.13Å; R351-Y367 WeakPolarHBondContact O-CE1 3.48Å; R351-A370 HydrophobicContact CB-CB 4.37Å; R351-A370 HydrophobicContact CG-CB 3.48Å; R351-A370 VanDerWaalsContact CG-CB 3.48Å
352L98.6Very high93.8Very high4 Ų413.3 Ų13.32%0.0216%0.062CC..Hα-helixtrans-70.2-44.7179.1-71161.8000112.3E301 A302 M314 W329 L334 S350 L354 A355 I356E301-L352 HydrophobicContact CB-CD2 4.05Å; A302-L352 HydrophobicContact CB-CD2 3.97Å; M314-L352 HydrophobicContact SD-CD1 4.5Å; W329-L352 HydrophobicContact CZ2-CB 4.44Å; L334-L352 HydrophobicContact CD1-CD1 3.74Å; L334-L352 HydrophobicContact CD2-CD1 3.46Å; L334-L352 VanDerWaalsContact CD2-CD1 3.46Å; L334-L352 HydrophobicContact CG-CD1 4.29Å; S350-L352 PolarHBondContact O-N 3.47Å; S350-L352 WeakPolarHBondContact OG-CB 3.46Å; S350-L352 PolarHBondContact OG-N 2.96Å; S350-L352 VanDerWaalsContact OG-N 3.15Å; L352-L354 VanDerWaalsContact C-N 3.29Å; L352-L354 PolarHBondContact O-N 3.04Å; L352-A355 PolarHBondContact O-N 3.19Å; L352-I356 PolarHBondContact O-N 3.26Å
353T98.4Very high94.3Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-63.1-36.5174.1-73.60000112I225 W329 E337 M339 F349 S350 I356 M357I225-T353 HydrophobicContact CD1-CG2 3.71Å; W329-T353 PolarHBondContact NE1-OG1 3.13Å; E337-T353 VanDerWaalsContact OE1-CB 3.26Å; E337-T353 WeakPolarHBondContact OE1-CB 3.25Å; E337-T353 PolarHBondContact OE1-OG1 2.76Å; E337-T353 PolarHBondContact OE2-OG1 2.97Å; M339-T353 HydrophobicContact CG-CG2 3.67Å; M339-T353 VanDerWaalsContact CG-OG1 3.24Å; M339-T353 WeakPolarHBondContact CG-OG1 3.3Å; F349-T353 HydrophobicContact CD1-CG2 4.33Å; S350-T353 PolarHBondContact O-N 3.26Å; T353-I356 VanDerWaalsContact O-CG2 3.27Å; T353-I356 WeakPolarHBondContact O-CG2 3.3Å; T353-M357 VanDerWaalsContact O-CG 3.24Å; T353-M357 WeakPolarHBondContact O-CG 3.32Å; T353-M357 PolarHBondContact O-N 2.87Å
354L98.6Very high94.8Very high1 Ų118 Ų181%0.0058%0.078CC..Hα-helixtrans-69.9-38.7174.6-88.456.5000111.5F81 S350 R351 L352 M357 E358 A365 Y367 A370F81-L354 HydrophobicContact CE1-CG 4.25Å; F81-L354 HydrophobicContact CZ-CD1 4.37Å; F81-L354 HydrophobicContact CZ-CG 4.39Å; S350-L354 PolarHBondContact O-N 3.17Å; R351-L354 PolarHBondContact O-N 2.89Å; L352-L354 VanDerWaalsContact C-N 3.29Å; L352-L354 PolarHBondContact O-N 3.04Å; L354-M357 PolarHBondContact O-N 3.23Å; L354-E358 PolarHBondContact O-N 3.18Å; L354-A365 HydrophobicContact CB-CB 3.89Å; L354-A365 HydrophobicContact CG-CB 4.21Å; L354-Y367 HydrophobicContact CB-CD1 4.26Å; L354-Y367 HydrophobicContact CB-CE1 4.11Å; L354-A370 HydrophobicContact CD2-CB 3.94Å
355A98.6Very high95.7Very high0 Ų018.6 Ų18.60%08%0.083CC..Hα-helixtrans-64.2-45.8179.500000113.3R297 V298 E301 R351 L352 M357 E358 D359 Y367R297-A355 HydrophobicContact CB-CB 4.01Å; V298-A355 HydrophobicContact CG2-CB 4.03Å; E301-A355 HydrophobicContact CB-CB 4.36Å; E301-A355 HydrophobicContact CG-CB 4.09Å; R351-A355 VanDerWaalsContact O-CB 3.25Å; R351-A355 WeakPolarHBondContact O-CB 3.16Å; R351-A355 PolarHBondContact O-N 3.16Å; L352-A355 PolarHBondContact O-N 3.19Å; A355-M357 VanDerWaalsContact C-N 3.27Å; A355-M357 PolarHBondContact O-N 3.41Å; A355-E358 PolarHBondContact O-N 3.21Å; A355-E358 VanDerWaalsContact O-N 3.16Å; A355-D359 WeakPolarHBondContact O-CB 3.21Å; A355-D359 PolarHBondContact O-N 2.72Å; A355-Y367 VanDerWaalsContact CA-OH 3.24Å; A355-Y367 WeakPolarHBondContact CA-OH 3.42Å; A355-Y367 HydrophobicContact CB-CE1 4.38Å; A355-Y367 WeakPolarHBondContact CB-OH 3.49Å
356I98.4Very high96.4Very high0 Ų021.5 Ų21.50%010%0.099CC..Hα-helixtrans-63.4-36.8177.4-169.7-177.9000111.6F230 F235 Y238 L293 V298 W329 L352 T353 E358 D359 S360F230-I356 HydrophobicContact CD1-CD1 3.67Å; F230-I356 HydrophobicContact CD1-CG2 3.61Å; F230-I356 HydrophobicContact CD2-CD1 3.94Å; F230-I356 HydrophobicContact CE1-CD1 3.64Å; F230-I356 HydrophobicContact CE1-CG2 3.91Å; F230-I356 HydrophobicContact CE2-CD1 3.91Å; F230-I356 HydrophobicContact CG-CD1 3.81Å; F230-I356 HydrophobicContact CG-CG2 4.45Å; F230-I356 HydrophobicContact CZ-CD1 3.75Å; F235-I356 HydrophobicContact CE1-CD1 3.98Å; Y238-I356 HydrophobicContact CE2-CG1 4.21Å; L293-I356 HydrophobicContact CD1-CD1 3.41Å; L293-I356 VanDerWaalsContact CD1-CD1 3.41Å; L293-I356 HydrophobicContact CD1-CG1 3.93Å; L293-I356 HydrophobicContact CD2-CG1 4.43Å; V298-I356 HydrophobicContact CG2-CB 3.8Å; V298-I356 HydrophobicContact CG2-CG1 4.44Å; W329-I356 HydrophobicContact CH2-CB 4Å; W329-I356 HydrophobicContact CH2-CD1 3.8Å; W329-I356 HydrophobicContact CH2-CG1 4.28Å; W329-I356 HydrophobicContact CH2-CG2 4.39Å; W329-I356 HydrophobicContact CZ2-CB 3.79Å; W329-I356 HydrophobicContact CZ2-CD1 4.04Å; W329-I356 HydrophobicContact CZ2-CG1 4.45Å; W329-I356 HydrophobicContact CZ2-CG2 3.72Å; L352-I356 PolarHBondContact O-N 3.26Å; T353-I356 VanDerWaalsContact O-CG2 3.27Å; T353-I356 WeakPolarHBondContact O-CG2 3.3Å; I356-E358 VanDerWaalsContact C-N 3.34Å; I356-E358 PolarHBondContact O-N 2.6Å; I356-D359 PolarHBondContact O-N 3.4Å; I356-S360 PolarHBondContact O-N 3.48Å
357M98.4Very high97.1Very high0 Ų020.8 Ų20.80%09%0.092CC..Hα-helixtrans-66.8-36.2175.7-67.8-58.6-66.500111.7F81 I225 L228 F230 T353 L354 A355 S360 Y363F81-M357 HydrophobicContact CD1-CB 4.18Å; F81-M357 HydrophobicContact CE1-CB 3.41Å; F81-M357 VanDerWaalsContact CE1-CB 3.41Å; F81-M357 HydrophobicContact CE1-CG 4.01Å; F81-M357 HydrophobicContact CE2-CG 4.41Å; F81-M357 HydrophobicContact CZ-CB 3.65Å; F81-M357 HydrophobicContact CZ-CG 3.68Å; I225-M357 HydrophobicContact CG2-CG 4.44Å; I225-M357 HydrophobicContact CG2-SD 3.92Å; L228-M357 HydrophobicContact CB-CE 3.57Å; F230-M357 HydrophobicContact CB-SD 4.39Å; T353-M357 VanDerWaalsContact O-CG 3.24Å; T353-M357 WeakPolarHBondContact O-CG 3.32Å; T353-M357 PolarHBondContact O-N 2.87Å; L354-M357 PolarHBondContact O-N 3.23Å; A355-M357 VanDerWaalsContact C-N 3.27Å; A355-M357 PolarHBondContact O-N 3.41Å; M357-S360 WeakPolarHBondContact O-CB 3.36Å; M357-S360 PolarHBondContact O-OG 3.24Å; M357-Y363 HydrophobicContact CE-CD2 3.84Å; M357-Y363 HydrophobicContact CE-CE2 3.57Å; M357-Y363 WeakPolarHBondContact O-CD2 3.48Å
358E98.3Very high97.4Very high24 Ų2424.1 Ų24.111%0.11212%0.12CC..Hα-helixtrans-72.1-37.9173.9-173.1164.815300113.1R84 R297 L354 A355 I356 S360 G361 A365 Y367R84-E358 PolarHBondContact NH2-O 3.3Å; R297-E358 IonicContact CZ-OE1 3.74Å; R297-E358 IonicContact NE-OE1 2.86Å; R297-E358 PolarHBondContact NE-OE1 3.33Å; R297-E358 IonicContact NH2-OE1 3.64Å; R297-E358 PolarHBondContact NH2-OE1 3.4Å; L354-E358 PolarHBondContact O-N 3.18Å; A355-E358 PolarHBondContact O-N 3.21Å; A355-E358 VanDerWaalsContact O-N 3.16Å; I356-E358 VanDerWaalsContact C-N 3.34Å; I356-E358 PolarHBondContact O-N 2.6Å; E358-S360 PolarHBondContact O-N 3.04Å; E358-G361 PolarHBondContact O-N 3.04Å; E358-A365 HydrophobicContact CB-CB 4.11Å; E358-A365 WeakPolarHBondContact OE2-CB 3.43Å; E358-A365 PolarHBondContact OE2-N 3.08Å; E358-Y367 WeakPolarHBondContact OE2-CE2 3.49Å
359D98.4Very high97.6Very high5 Ų525.3 Ų25.33%0.02713%0.125CC..Hα-helixtrans-73.5-7.6176.8-83-13000113.5T295 R297 V298 A355 I356 G361T295-D359 VanDerWaalsContact C-OD2 3.26Å; T295-D359 WeakPolarHBondContact CB-OD2 3.39Å; T295-D359 HydrophobicContact CG2-CB 4.33Å; T295-D359 WeakPolarHBondContact OG1-CB 3.43Å; T295-D359 VanDerWaalsContact OG1-CG 3.31Å; T295-D359 PolarHBondContact OG1-OD2 3.17Å; R297-D359 WeakPolarHBondContact CA-OD2 3.38Å; R297-D359 WeakPolarHBondContact CB-OD1 3.25Å; R297-D359 WeakPolarHBondContact CB-OD2 3.43Å; R297-D359 WeakPolarHBondContact CD-OD1 3.4Å; R297-D359 WeakPolarHBondContact CG-OD1 3.31Å; R297-D359 IonicContact CZ-OD1 3.82Å; R297-D359 PolarHBondContact N-OD1 3.3Å; R297-D359 PolarHBondContact N-OD2 2.9Å; R297-D359 IonicContact NE-OD1 2.77Å; R297-D359 IonicContact NH1-OD1 3.67Å; R297-D359 PolarHBondContact NH1-OD1 3.25Å; R297-D359 VanDerWaalsContact NH1-OD1 3.07Å; V298-D359 PolarHBondContact N-OD2 2.86Å; A355-D359 WeakPolarHBondContact O-CB 3.21Å; A355-D359 PolarHBondContact O-N 2.72Å; I356-D359 PolarHBondContact O-N 3.4Å; D359-G361 PolarHBondContact O-N 2.85Å
360S98.2Very high97.6Very high0 Ų026.5 Ų26.50%014%0.135CC..THydrogen-bonded Turntrans-60.2-22.1166.470.30000112.9Y238 H239 I356 M357 E358 W362Y238-S360 WeakPolarHBondContact CA-O 3.49Å; H239-S360 PolarHBondContact N-O 2.99Å; I356-S360 PolarHBondContact O-N 3.48Å; M357-S360 WeakPolarHBondContact O-CB 3.36Å; M357-S360 PolarHBondContact O-OG 3.24Å; E358-S360 PolarHBondContact O-N 3.04Å; S360-W362 VanDerWaalsContact CB-CE3 3.5Å; S360-W362 WeakPolarHBondContact OG-CB 3.45Å; S360-W362 PolarHBondContact OG-N 3.11Å
361G96.6Very high97.4Very high2 Ų230.3 Ų30.32%0.02115%0.152CC..SBendtrans79.26.5-172.900000113.4R84 H239 E358 D359R84-G361 WeakPolarHBondContact CD-O 3.21Å; H239-G361 WeakPolarHBondContact O-CA 3.49Å; E358-G361 PolarHBondContact O-N 3.04Å; D359-G361 PolarHBondContact O-N 2.85Å
362W95.7Very high97.1Very high2 Ų234.3 Ų34.31%0.00817%0.167CC..SBendtrans-101.7-36.3-179-58.1-31.3000113.5R84 L191 D192 R193 P194 L234 F237 Y238 H239 S360R84-W362 PolarHBondContact N-O 3.31Å; R84-W362 VanDerWaalsContact N-O 3.13Å; L191-W362 PolarHBondContact O-NE1 3.29Å; D192-W362 VanDerWaalsContact O-CZ2 3.27Å; D192-W362 WeakPolarHBondContact O-CZ2 3.43Å; R193-W362 HydrophobicContact CB-CB 4.3Å; R193-W362 HydrophobicContact CB-CD2 4.16Å; R193-W362 HydrophobicContact CB-CG 3.76Å; R193-W362 HydrophobicContact CG-CB 3.72Å; R193-W362 HydrophobicContact CG-CD2 4.04Å; R193-W362 HydrophobicContact CG-CG 3.63Å; P194-W362 VanDerWaalsContact CD-CE3 3.5Å; P194-W362 HydrophobicContact CG-CE3 4.31Å; P194-W362 HydrophobicContact CG-CH2 4.15Å; P194-W362 HydrophobicContact CG-CZ3 3.84Å; L234-W362 HydrophobicContact CB-CH2 4.04Å; L234-W362 HydrophobicContact CD1-CH2 4.23Å; L234-W362 HydrophobicContact CD1-CZ3 4.21Å; L234-W362 HydrophobicContact CD2-CH2 4.12Å; L234-W362 HydrophobicContact CG-CH2 4.36Å; F237-W362 HydrophobicContact CB-CZ2 4.18Å; Y238-W362 HydrophobicContact CD1-CH2 4.04Å; Y238-W362 HydrophobicContact CD1-CZ2 4.29Å; Y238-W362 HydrophobicContact CD1-CZ3 4.47Å; Y238-W362 AromaticContact CE1-CH2 3.97Å; Y238-W362 HydrophobicContact CE1-CH2 3.97Å; Y238-W362 HydrophobicContact CE1-CZ3 4.06Å; H239-W362 AromaticContact ND1-NE1 3.99Å; S360-W362 VanDerWaalsContact CB-CE3 3.5Å; S360-W362 WeakPolarHBondContact OG-CB 3.45Å; S360-W362 PolarHBondContact OG-N 3.11Å
363Y96.6Very high96.9Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-120.1162.8-172.2-46.6-71.8000111.6L44 F81 S82 L83 R84 L228 M357L44-Y363 HydrophobicContact CD1-CE1 4.1Å; L44-Y363 HydrophobicContact CD2-CE1 4.3Å; F81-Y363 HydrophobicContact CB-CD1 4.37Å; F81-Y363 HydrophobicContact CB-CG 4.4Å; S82-Y363 CarbonylContact O-C 3.59Å; S82-Y363 WeakPolarHBondContact O-CA 3.42Å; L83-Y363 HydrophobicContact CD2-CD1 4.01Å; L83-Y363 HydrophobicContact CD2-CE1 3.99Å; R84-Y363 PolarHBondContact NE-O 3.17Å; L228-Y363 WeakPolarHBondContact O-CE2 3.36Å; L228-Y363 PolarHBondContact O-OH 2.75Å; M357-Y363 HydrophobicContact CE-CD2 3.84Å; M357-Y363 HydrophobicContact CE-CE2 3.57Å; M357-Y363 WeakPolarHBondContact O-CD2 3.48Å
364R96.1Very high96.6Very high146 Ų14636.5 Ų36.555%0.55118%0.179SC*.EExtended strand (participates in β ladder)trans-111.8135.9157-59.2-179.4175.1-137.5-3108F81 S82 R84F81-R364 WeakPolarHBondContact CA-O 3.28Å; S82-R364 PolarHBondContact N-O 3.29Å; S82-R364 PolarHBondContact O-N 2.69Å; S82-R364 PolarHBondContact OG-O 3.41Å; R84-R364 HydrophobicContact CG-CG 3.9Å
365A96.9Very high96.5Very high15 Ų1537 Ų3712%0.12418%0.181CC..EExtended strand (participates in β ladder)trans-97.9137-17700000112.1A80 F81 L354 E358 Y367A80-A365 CarbonylContact O-C 3.52Å; A80-A365 WeakPolarHBondContact O-CA 3.41Å; F81-A365 HydrophobicContact CD1-CB 4.13Å; F81-A365 HydrophobicContact CE1-CB 3.99Å; L354-A365 HydrophobicContact CB-CB 3.89Å; L354-A365 HydrophobicContact CG-CB 4.21Å; E358-A365 HydrophobicContact CB-CB 4.11Å; E358-A365 WeakPolarHBondContact OE2-CB 3.43Å; E358-A365 PolarHBondContact OE2-N 3.08Å; A365-Y367 HydrophobicContact CB-CD2 4.31Å; A365-Y367 HydrophobicContact CB-CE2 4.06Å; A365-Y367 WeakPolarHBondContact O-CD2 3.13Å; A365-Y367 PolarHBondContact O-N 3.37Å
366N97.3Very high96.3Very high66 Ų6637 Ų3735%0.35318%0.181SC..  trans-87.289.5169.8-179.15.9000109.7R79 A80 S368 L369R79-N366 WeakPolarHBondContact O-CB 3.26Å; R79-N366 PolarHBondContact O-ND2 2.89Å; A80-N366 PolarHBondContact O-N 3.14Å; N366-S368 VanDerWaalsContact CG-OG 3.31Å; N366-S368 PolarHBondContact ND2-OG 3.23Å; N366-S368 PolarHBondContact O-N 2.86Å; N366-S368 WeakPolarHBondContact OD1-CB 3.5Å; N366-S368 PolarHBondContact OD1-N 3.21Å; N366-S368 PolarHBondContact OD1-OG 3.26Å; N366-L369 HydrophobicContact CB-CD1 4.47Å; N366-L369 PolarHBondContact O-N 2.92Å; N366-L369 VanDerWaalsContact O-N 3.1Å
367Y97.4Very high96.2Very high43 Ų4343.2 Ų43.217%0.16921%0.205CC..G310 helixtrans-63.8-9.1-179.3-74.1-86.9000115.3E301 R351 L354 A355 E358 A365 L369 A370E301-Y367 HydrophobicContact CG-CE1 4.2Å; R351-Y367 HydrophobicContact CB-CD1 4.07Å; R351-Y367 HydrophobicContact CB-CE1 4.17Å; R351-Y367 HydrophobicContact CG-CD1 4.13Å; R351-Y367 WeakPolarHBondContact O-CE1 3.48Å; L354-Y367 HydrophobicContact CB-CD1 4.26Å; L354-Y367 HydrophobicContact CB-CE1 4.11Å; A355-Y367 VanDerWaalsContact CA-OH 3.24Å; A355-Y367 WeakPolarHBondContact CA-OH 3.42Å; A355-Y367 HydrophobicContact CB-CE1 4.38Å; A355-Y367 WeakPolarHBondContact CB-OH 3.49Å; E358-Y367 WeakPolarHBondContact OE2-CE2 3.49Å; A365-Y367 HydrophobicContact CB-CD2 4.31Å; A365-Y367 HydrophobicContact CB-CE2 4.06Å; A365-Y367 WeakPolarHBondContact O-CD2 3.13Å; A365-Y367 PolarHBondContact O-N 3.37Å; Y367-L369 PolarHBondContact O-N 3.4Å; Y367-A370 VanDerWaalsContact O-CB 3.24Å; Y367-A370 WeakPolarHBondContact O-CB 3.32Å; Y367-A370 PolarHBondContact O-N 3.18Å
368S97Very high96.1Very high98 Ų9845.2 Ų45.269%0.68523%0.225SC*.G310 helixtrans-70.9-19.1172.6690000112.9N366N366-S368 VanDerWaalsContact CG-OG 3.31Å; N366-S368 PolarHBondContact ND2-OG 3.23Å; N366-S368 PolarHBondContact O-N 2.86Å; N366-S368 WeakPolarHBondContact OD1-CB 3.5Å; N366-S368 PolarHBondContact OD1-N 3.21Å; N366-S368 PolarHBondContact OD1-OG 3.26Å
369L96.5Very high96.1Very high44 Ų4446 Ų4623%0.2323%0.23CC..G310 helixtrans-88.8-5.1173.6-65.7172.6000113.2Y76 R79 A80 N366 Y367 Q371Y76-L369 HydrophobicContact CE2-CB 4.44Å; R79-L369 HydrophobicContact CB-CD1 3.63Å; R79-L369 VanDerWaalsContact O-CD1 3.3Å; R79-L369 WeakPolarHBondContact O-CD1 3.41Å; A80-L369 HydrophobicContact CB-CD1 4.3Å; N366-L369 HydrophobicContact CB-CD1 4.47Å; N366-L369 PolarHBondContact O-N 2.92Å; N366-L369 VanDerWaalsContact O-N 3.1Å; Y367-L369 PolarHBondContact O-N 3.4Å; L369-Q371 PolarHBondContact O-N 3.24Å
370A96.6Very high96Very high24 Ų2446.5 Ų46.520%0.19824%0.237CC..PPolyproline II helixtrans-63.3127.2176.800000110.1R351 L354 Y367R351-A370 HydrophobicContact CB-CB 4.37Å; R351-A370 HydrophobicContact CG-CB 3.48Å; R351-A370 VanDerWaalsContact CG-CB 3.48Å; L354-A370 HydrophobicContact CD2-CB 3.94Å; Y367-A370 VanDerWaalsContact O-CB 3.24Å; Y367-A370 WeakPolarHBondContact O-CB 3.32Å; Y367-A370 PolarHBondContact O-N 3.18Å
371Q94.3Very high96Very high86 Ų8648.1 Ų48.140%0.40225%0.247SC..PPolyproline II helixtrans-80.2149.6173.3-62.3177.9-49.700109.9V348 F349 L369 L373V348-Q371 HydrophobicContact CB-CB 4.45Å; V348-Q371 HydrophobicContact CG1-CB 3.47Å; V348-Q371 VanDerWaalsContact CG1-CB 3.47Å; F349-Q371 PolarHBondContact O-N 3.48Å; L369-Q371 PolarHBondContact O-N 3.24Å; Q371-L373 PolarHBondContact O-N 3.25Å
372R92.1Very high96.1Very high160 Ų16050.6 Ų50.660%0.60426%0.26SS*.PPolyproline II helixtrans-73.4123.3178.2179.4173.4169.5153.9-6.9110.1V348 D374V348-R372 WeakPolarHBondContact CG1-O 3.21Å; R372-D374 IonicContact CZ-OD1 2.69Å; R372-D374 VanDerWaalsContact CZ-OD1 3.27Å; R372-D374 IonicContact NE-OD1 2.65Å; R372-D374 PolarHBondContact NE-OD1 3.02Å; R372-D374 IonicContact NE-OD2 3.55Å; R372-D374 IonicContact NH2-OD1 3.59Å; R372-D374 PolarHBondContact NH2-OD1 3.4Å
373L94.4Very high96.2Very high6 Ų650.5 Ų50.53%0.03126%0.26CS..PPolyproline II helixtrans-99.7118.2169.4-176.967.7000108.4H305 L334 N336 E337 V348 Q371 W375H305-L373 PolarHBondContact CE1-O 3.07Å; H305-L373 VanDerWaalsContact CE1-O 3.25Å; L334-L373 HydrophobicContact CD2-CD2 3.65Å; N336-L373 WeakPolarHBondContact OD1-CD1 3.38Å; E337-L373 HydrophobicContact CB-CD1 4.39Å; E337-L373 HydrophobicContact CB-CD2 4.05Å; E337-L373 HydrophobicContact CG-CD2 3.89Å; V348-L373 HydrophobicContact CB-CD1 4.36Å; V348-L373 HydrophobicContact CG1-CB 4.19Å; V348-L373 HydrophobicContact CG1-CD1 4.46Å; Q371-L373 PolarHBondContact O-N 3.25Å; L373-W375 HydrophobicContact CD1-CB 4.24Å; L373-W375 HydrophobicContact CG-CB 4.48Å
374D92.8Very high96.2Very high45 Ų4550.6 Ų50.624%0.24126%0.26CS..  trans-92-24.9177.5-73.2-61.1000112.7R372 G376 R377 D421R372-D374 IonicContact CZ-OD1 2.69Å; R372-D374 VanDerWaalsContact CZ-OD1 3.27Å; R372-D374 IonicContact NE-OD1 2.65Å; R372-D374 PolarHBondContact NE-OD1 3.02Å; R372-D374 IonicContact NE-OD2 3.55Å; R372-D374 IonicContact NH2-OD1 3.59Å; R372-D374 PolarHBondContact NH2-OD1 3.4Å; D374-G376 PolarHBondContact O-N 2.8Å; D374-R377 WeakPolarHBondContact O-CB 3.46Å; D374-R377 PolarHBondContact O-N 3.31Å; D374-R377 VanDerWaalsContact O-N 3.14Å; D374-D421 HydrophobicContact CB-CB 4.12Å
375W95.3Very high96.3Very high10 Ų1045.3 Ų45.34%0.03824%0.242CC..THydrogen-bonded Turntrans-59.5125.5176.3-177.3-80.7000111.2H305 R332 L333 E335 L373 R377 F383 P404 F405 F470H305-W375 PolarHBondContact CE1-O 3.5Å; H305-W375 VanDerWaalsContact CE1-O 3.28Å; H305-W375 PolarHBondContact NE2-O 3.23Å; R332-W375 WeakPolarHBondContact O-CZ2 3.4Å; R332-W375 PolarHBondContact O-NE1 2.87Å; L333-W375 VanDerWaalsContact C-CD1 3.48Å; L333-W375 PolarHBondContact O-NE1 3.38Å; E335-W375 HydrophobicContact CB-CB 4.44Å; E335-W375 HydrophobicContact CB-CD2 3.31Å; E335-W375 VanDerWaalsContact CB-CE2 3.46Å; E335-W375 HydrophobicContact CB-CE3 3.6Å; E335-W375 HydrophobicContact CB-CG 3.67Å; E335-W375 HydrophobicContact CB-CH2 4.08Å; E335-W375 HydrophobicContact CB-CZ2 3.88Å; E335-W375 HydrophobicContact CB-CZ3 3.95Å; E335-W375 HydrophobicContact CG-CD2 4.04Å; E335-W375 HydrophobicContact CG-CE3 3.8Å; E335-W375 HydrophobicContact CG-CH2 3.89Å; E335-W375 HydrophobicContact CG-CZ2 4.16Å; E335-W375 HydrophobicContact CG-CZ3 3.7Å; L373-W375 HydrophobicContact CD1-CB 4.24Å; L373-W375 HydrophobicContact CG-CB 4.48Å; W375-R377 PolarHBondContact O-N 2.94Å; W375-R377 VanDerWaalsContact O-N 3.16Å; W375-F383 AromaticContact NE1-CZ 3.87Å; W375-P404 HydrophobicContact CD2-CB 4.09Å; W375-P404 HydrophobicContact CD2-CG 4.25Å; W375-P404 HydrophobicContact CE3-CB 3.67Å; W375-P404 HydrophobicContact CE3-CG 4.33Å; W375-P404 HydrophobicContact CH2-CB 3.74Å; W375-P404 HydrophobicContact CH2-CG 4.13Å; W375-P404 HydrophobicContact CZ2-CB 4.12Å; W375-P404 HydrophobicContact CZ2-CG 4.02Å; W375-P404 HydrophobicContact CZ3-CB 3.51Å; W375-P404 HydrophobicContact CZ3-CG 4.3Å; W375-F405 HydrophobicContact CH2-CE1 4.47Å; W375-F405 HydrophobicContact CZ2-CE1 4.03Å; W375-F470 HydrophobicContact CH2-CB 3.42Å; W375-F470 VanDerWaalsContact CH2-CB 3.42Å; W375-F470 HydrophobicContact CH2-CD1 4.2Å; W375-F470 HydrophobicContact CH2-CD2 4.02Å; W375-F470 AromaticContact CH2-CG 3.65Å; W375-F470 HydrophobicContact CH2-CG 3.65Å; W375-F470 HydrophobicContact CZ3-CB 3.92Å; W375-F470 HydrophobicContact CZ3-CD2 4.01Å; W375-F470 HydrophobicContact CZ3-CG 4.09Å
376G95.9Very high96.4Very high1 Ų147 Ų471%0.0125%0.247CC..THydrogen-bonded Turntrans75.9-10.2-179.600000115.3F306 D374 G378 L379F306-G376 VanDerWaalsContact CD1-O 3.23Å; F306-G376 WeakPolarHBondContact CD1-O 3.24Å; D374-G376 PolarHBondContact O-N 2.8Å; G376-G378 PolarHBondContact O-N 2.84Å; G376-L379 PolarHBondContact O-N 2.75Å
377R96Very high96.4Very high131 Ų13143.9 Ų43.949%0.49423%0.23SC..THydrogen-bonded Turntrans-64.9120.6-171.7-171.1175178.2-100.2-2.4111.5H305 D374 W375 L379H305-R377 CarbonylContact O-C 3.51Å; H305-R377 VanDerWaalsContact O-CA 3.26Å; H305-R377 WeakPolarHBondContact O-CA 3.27Å; D374-R377 WeakPolarHBondContact O-CB 3.46Å; D374-R377 PolarHBondContact O-N 3.31Å; D374-R377 VanDerWaalsContact O-N 3.14Å; W375-R377 PolarHBondContact O-N 2.94Å; W375-R377 VanDerWaalsContact O-N 3.16Å; R377-L379 PolarHBondContact O-N 3.17Å
378G96.6Very high96.4Very high42 Ų4241.9 Ų41.943%0.43322%0.222SC..THydrogen-bonded Turntrans6912.9178.300000115.3H305 F306 G376 G380H305-G378 PolarHBondContact O-N 2.91Å; F306-G378 CarbonylContact O-C 3.58Å; G376-G378 PolarHBondContact O-N 2.84Å; G378-G380 VanDerWaalsContact C-N 3.27Å; G378-G380 PolarHBondContact O-N 3.33Å
379L96.8Very high96.4Very high39 Ų3937.4 Ų37.420%0.20419%0.191CC..  trans-79-8.4-178.1-61.5-170.3000113.8F306 G376 R377 F383 W391 P404F306-L379 PolarHBondContact O-N 3.02Å; G376-L379 PolarHBondContact O-N 2.75Å; R377-L379 PolarHBondContact O-N 3.17Å; L379-F383 HydrophobicContact CB-CB 3.61Å; L379-F383 HydrophobicContact CB-CD1 4.07Å; L379-F383 HydrophobicContact CB-CD2 4.13Å; L379-F383 HydrophobicContact CB-CG 3.67Å; L379-F383 HydrophobicContact CD1-CD1 4.25Å; L379-F383 HydrophobicContact CD1-CD2 3.57Å; L379-F383 HydrophobicContact CD1-CE1 4.32Å; L379-F383 HydrophobicContact CD1-CE2 3.64Å; L379-F383 HydrophobicContact CD1-CG 3.89Å; L379-F383 HydrophobicContact CD1-CZ 4.03Å; L379-F383 HydrophobicContact CG-CG 4.43Å; L379-W391 HydrophobicContact CB-CH2 3.71Å; L379-W391 HydrophobicContact CB-CZ2 4.05Å; L379-W391 HydrophobicContact CB-CZ3 4.38Å; L379-W391 HydrophobicContact CD1-CZ2 4.04Å; L379-W391 HydrophobicContact CD2-CH2 4.13Å; L379-W391 HydrophobicContact CD2-CZ2 3.95Å; L379-W391 HydrophobicContact CG-CH2 4.34Å; L379-W391 HydrophobicContact CG-CZ2 4.24Å; L379-W391 WeakPolarHBondContact O-CH2 3.22Å; L379-W391 WeakPolarHBondContact O-CZ3 3.2Å; L379-P404 HydrophobicContact CD1-CG 4.09Å
380G97.9Very high96.4Very high17 Ų1738 Ų3818%0.17519%0.191CC..  trans81.6-177.717100000114.7F306 G378 D382 F383 V384F306-G380 WeakPolarHBondContact O-CA 3.26Å; F306-G380 PolarHBondContact O-N 3.39Å; G378-G380 VanDerWaalsContact C-N 3.27Å; G378-G380 PolarHBondContact O-N 3.33Å; G380-D382 VanDerWaalsContact C-N 3.34Å; G380-D382 PolarHBondContact O-N 2.9Å; G380-F383 PolarHBondContact O-N 2.99Å; G380-V384 PolarHBondContact O-N 3Å
381C98.1Very high96.5Very high33 Ų3337.5 Ų37.522%0.22318%0.184CC..Hα-helixtrans-65.9-33.2-172.8-58.80000113.9C308 F383 V384 M385C308-C381 WeakPolarHBondContact CA-SG 3.31Å; C308-C381 HydrophobicContact CB-CB 4.05Å; C308-C381 WeakPolarHBondContact CB-SG 3.25Å; C308-C381 WeakPolarHBondContact SG-CA 3.37Å; C308-C381 WeakPolarHBondContact SG-CB 3.19Å; C308-C381 CovalentContact SG-SG 2.04Å; C308-C381 PolarHBondContact SG-SG 3.3Å; C381-F383 VanDerWaalsContact C-N 3.28Å; C381-F383 PolarHBondContact O-N 2.96Å; C381-V384 PolarHBondContact O-N 3.34Å; C381-M385 HydrophobicContact CB-SD 4.07Å; C381-M385 WeakPolarHBondContact O-CB 3.3Å; C381-M385 WeakPolarHBondContact O-CG 3.27Å; C381-M385 PolarHBondContact O-N 3.28Å
382D97.1Very high96.6Very high54 Ų5433.4 Ų33.429%0.28917%0.165SC..Hα-helixtrans-62.7-35.9178.1-72-15.9000111.6G380 K386 F390 W391G380-D382 VanDerWaalsContact C-N 3.34Å; G380-D382 PolarHBondContact O-N 2.9Å; D382-K386 VanDerWaalsContact O-CB 3.24Å; D382-K386 WeakPolarHBondContact O-CB 3.25Å; D382-K386 WeakPolarHBondContact O-CG 3.25Å; D382-F390 HydrophobicContact CB-CD1 4.42Å; D382-F390 HydrophobicContact CB-CE1 3.99Å; D382-W391 HydrophobicContact CB-CE3 4.26Å; D382-W391 HydrophobicContact CB-CZ3 4.42Å
383F98Very high96.8Very high1 Ų127.7 Ų27.70%0.00415%0.147CC..Hα-helixtrans-68.9-47.1177.8177.5-96.5000111.6F306 R332 L333 W375 L379 G380 C381 W391 P404 F405F306-F383 HydrophobicContact CD1-CD1 4.01Å; F306-F383 HydrophobicContact CD1-CE1 4.3Å; F306-F383 HydrophobicContact CE1-CD1 4.06Å; F306-F383 AromaticContact CE1-CE1 3.91Å; F306-F383 HydrophobicContact CE1-CE1 3.91Å; R332-F383 PolarHBondContact NH1-O 2.87Å; L333-F383 HydrophobicContact CD2-CD1 4.24Å; L333-F383 HydrophobicContact CD2-CE1 3.95Å; W375-F383 AromaticContact NE1-CZ 3.87Å; L379-F383 HydrophobicContact CB-CB 3.61Å; L379-F383 HydrophobicContact CB-CD1 4.07Å; L379-F383 HydrophobicContact CB-CD2 4.13Å; L379-F383 HydrophobicContact CB-CG 3.67Å; L379-F383 HydrophobicContact CD1-CD1 4.25Å; L379-F383 HydrophobicContact CD1-CD2 3.57Å; L379-F383 HydrophobicContact CD1-CE1 4.32Å; L379-F383 HydrophobicContact CD1-CE2 3.64Å; L379-F383 HydrophobicContact CD1-CG 3.89Å; L379-F383 HydrophobicContact CD1-CZ 4.03Å; L379-F383 HydrophobicContact CG-CG 4.43Å; G380-F383 PolarHBondContact O-N 2.99Å; C381-F383 VanDerWaalsContact C-N 3.28Å; C381-F383 PolarHBondContact O-N 2.96Å; F383-W391 HydrophobicContact CB-CD2 4.15Å; F383-W391 HydrophobicContact CB-CE3 3.7Å; F383-W391 HydrophobicContact CB-CH2 4.25Å; F383-W391 HydrophobicContact CB-CZ3 3.77Å; F383-W391 AromaticContact CD2-CD2 3.88Å; F383-W391 HydrophobicContact CD2-CD2 3.88Å; F383-W391 AromaticContact CD2-CE2 3.94Å; F383-W391 HydrophobicContact CD2-CE3 4.32Å; F383-W391 HydrophobicContact CD2-CG 4.11Å; F383-W391 HydrophobicContact CD2-CZ2 4.39Å; F383-P404 HydrophobicContact CE2-CG 3.8Å; F383-P404 HydrophobicContact CZ-CG 4.11Å; F383-F405 AromaticContact CD2-CE2 3.99Å; F383-F405 HydrophobicContact CD2-CE2 3.99Å; F383-F405 HydrophobicContact CE2-CD2 4.31Å; F383-F405 AromaticContact CE2-CE2 3.44Å; F383-F405 HydrophobicContact CE2-CE2 3.44Å; F383-F405 VanDerWaalsContact CE2-CE2 3.44Å; F383-F405 AromaticContact CE2-CZ 3.69Å; F383-F405 HydrophobicContact CE2-CZ 3.69Å; F383-F405 HydrophobicContact CZ-CE2 4.31Å; F383-F405 HydrophobicContact CZ-CZ 4.11Å
384V97.8Very high96.9Very high1 Ų131.8 Ų31.81%0.00616%0.162CC..Hα-helixtrans-79.4-37.4-171.567.90000112.8F306 C308 L311 R332 L333 G380 C381F306-V384 HydrophobicContact CD1-CB 4.23Å; F306-V384 HydrophobicContact CD1-CG2 4.44Å; F306-V384 HydrophobicContact CD2-CB 4.37Å; F306-V384 HydrophobicContact CD2-CG2 3.95Å; F306-V384 HydrophobicContact CE1-CG2 4.47Å; F306-V384 HydrophobicContact CE2-CG2 3.99Å; F306-V384 HydrophobicContact CG-CB 4.13Å; F306-V384 HydrophobicContact CG-CG2 4.2Å; F306-V384 HydrophobicContact CZ-CG2 4.26Å; C308-V384 HydrophobicContact CB-CG1 4.28Å; L311-V384 HydrophobicContact CD1-CG1 3.93Å; L311-V384 HydrophobicContact CD1-CG2 3.96Å; L311-V384 HydrophobicContact CD2-CG1 4.3Å; L311-V384 HydrophobicContact CD2-CG2 4.01Å; R332-V384 PolarHBondContact NH2-O 3.39Å; L333-V384 HydrophobicContact CD1-CG2 3.74Å; L333-V384 HydrophobicContact CD2-CB 4.24Å; L333-V384 HydrophobicContact CD2-CG2 3.98Å; L333-V384 HydrophobicContact CG-CG2 4.47Å; G380-V384 PolarHBondContact O-N 3Å; C381-V384 PolarHBondContact O-N 3.34Å
385M97.7Very high97Very high35 Ų3530.5 Ų30.517%0.17215%0.154CC..Hα-helixtrans-98.7-2.2-171.3-52.4176.675.100114.8I310 L311 C381I310-M385 HydrophobicContact CD1-SD 4.03Å; I310-M385 HydrophobicContact CG1-SD 4.22Å; L311-M385 HydrophobicContact CD1-CG 4.32Å; C381-M385 HydrophobicContact CB-SD 4.07Å; C381-M385 WeakPolarHBondContact O-CB 3.3Å; C381-M385 WeakPolarHBondContact O-CG 3.27Å; C381-M385 PolarHBondContact O-N 3.28Å
386K97.8Very high97Very high51 Ų5133.2 Ų33.222%0.22217%0.165CC..SBendtrans-126.8169.2-177.6-51.8-69.2-177.5178.40111L277 W278 R332 D382 F390L277-K386 WeakPolarHBondContact O-CD 3.45Å; W278-K386 VanDerWaalsContact CZ3-C 3.49Å; R332-K386 PolarHBondContact NH1-O 2.48Å; D382-K386 VanDerWaalsContact O-CB 3.24Å; D382-K386 WeakPolarHBondContact O-CB 3.25Å; D382-K386 WeakPolarHBondContact O-CG 3.25Å; K386-F390 HydrophobicContact CB-CB 3.87Å; K386-F390 HydrophobicContact CB-CD1 3.68Å; K386-F390 HydrophobicContact CB-CE1 4.46Å; K386-F390 HydrophobicContact CB-CG 3.87Å; K386-F390 HydrophobicContact CG-CD1 3.71Å; K386-F390 HydrophobicContact CG-CE1 4Å; K386-F390 HydrophobicContact CG-CG 4.13Å
387S97.8Very high96.9Very high1 Ų139.6 Ų39.61%0.00719%0.194CC..  trans-66.6157176.268.40000111.9W278 D279 K389 F390 W391W278-S387 VanDerWaalsContact CE2-CB 3.42Å; D279-S387 WeakPolarHBondContact CB-OG 3.36Å; D279-S387 PolarHBondContact N-OG 2.77Å; D279-S387 WeakPolarHBondContact O-CB 3.46Å; D279-S387 PolarHBondContact O-OG 3.05Å; S387-K389 PolarHBondContact O-N 3.25Å; S387-F390 WeakPolarHBondContact O-CB 3.25Å; S387-F390 PolarHBondContact O-N 3.31Å; S387-F390 VanDerWaalsContact O-N 3.17Å; S387-F390 PolarHBondContact OG-N 2.98Å; S387-W391 PolarHBondContact O-N 3.33Å
388C97.5Very high96.9Very high0 Ų038.3 Ų38.30%019%0.189CC..Hα-helixtrans-61.9-29.6173.252.10000112.3W391 M392 F405 Y443 C468C388-W391 PolarHBondContact O-N 3.32Å; C388-M392 HydrophobicContact CB-CE 4.48Å; C388-M392 WeakPolarHBondContact O-CB 3.12Å; C388-M392 WeakPolarHBondContact O-CG 3.49Å; C388-M392 PolarHBondContact O-N 3.23Å; C388-F405 HydrophobicContact CB-CD1 4.02Å; C388-F405 HydrophobicContact CB-CD2 3.57Å; C388-F405 HydrophobicContact CB-CE1 3.88Å; C388-F405 HydrophobicContact CB-CE2 3.41Å; C388-F405 VanDerWaalsContact CB-CE2 3.41Å; C388-F405 HydrophobicContact CB-CG 3.89Å; C388-F405 HydrophobicContact CB-CZ 3.59Å; C388-Y443 VanDerWaalsContact SG-CE2 3.51Å; C388-C468 HydrophobicContact CB-CB 3.64Å; C388-C468 WeakPolarHBondContact CB-SG 3.49Å; C388-C468 VanDerWaalsContact SG-CA 3.56Å; C388-C468 WeakPolarHBondContact SG-CB 3.46Å; C388-C468 CovalentContact SG-SG 2.03Å; C388-C468 PolarHBondContact SG-SG 3.4Å
389K97.2Very high96.8Very high4 Ų447.7 Ų47.72%0.01721%0.212CC..Hα-helixtrans-54.7-56.3169.8175.3-179.5168.141.10111.3D279 I280 S387 W391 M392 D393 Y443 D445D279-K389 VanDerWaalsContact OD1-CE 3.22Å; D279-K389 WeakPolarHBondContact OD1-CE 3.44Å; I280-K389 VanDerWaalsContact C-CD 3.46Å; I280-K389 WeakPolarHBondContact O-CD 3.29Å; I280-K389 WeakPolarHBondContact O-CE 3.24Å; S387-K389 PolarHBondContact O-N 3.25Å; K389-W391 VanDerWaalsContact C-N 3.26Å; K389-W391 PolarHBondContact O-N 3.42Å; K389-M392 PolarHBondContact O-N 3.46Å; K389-M392 VanDerWaalsContact O-N 3.14Å; K389-D393 IonicContact NZ-OD2 3.43Å; K389-D393 PolarHBondContact NZ-OD2 3.18Å; K389-D393 PolarHBondContact O-N 2.85Å; K389-Y443 HydrophobicContact CB-CD1 3.89Å; K389-Y443 HydrophobicContact CB-CG 4.32Å; K389-Y443 VanDerWaalsContact CD-O 3.24Å; K389-Y443 WeakPolarHBondContact CD-O 3.48Å; K389-Y443 VanDerWaalsContact CG-O 3.27Å; K389-Y443 WeakPolarHBondContact CG-O 3.33Å; K389-D445 IonicContact NZ-OD1 2.92Å; K389-D445 IonicContact NZ-OD2 2.76Å; K389-D445 PolarHBondContact NZ-OD2 2.85Å
390F97.5Very high96.5Very high56 Ų5651.1 Ų51.125%0.24623%0.226CC..Hα-helixtrans-54.8-46.2-178.8-178-88.7000111D279 D382 K386 S387 R394D279-F390 HydrophobicContact CB-CB 3.93Å; D279-F390 HydrophobicContact CB-CD2 4.36Å; D382-F390 HydrophobicContact CB-CD1 4.42Å; D382-F390 HydrophobicContact CB-CE1 3.99Å; K386-F390 HydrophobicContact CB-CB 3.87Å; K386-F390 HydrophobicContact CB-CD1 3.68Å; K386-F390 HydrophobicContact CB-CE1 4.46Å; K386-F390 HydrophobicContact CB-CG 3.87Å; K386-F390 HydrophobicContact CG-CD1 3.71Å; K386-F390 HydrophobicContact CG-CE1 4Å; K386-F390 HydrophobicContact CG-CG 4.13Å; S387-F390 WeakPolarHBondContact O-CB 3.25Å; S387-F390 PolarHBondContact O-N 3.31Å; S387-F390 VanDerWaalsContact O-N 3.17Å; S387-F390 PolarHBondContact OG-N 2.98Å; F390-R394 VanDerWaalsContact O-CB 3.28Å; F390-R394 WeakPolarHBondContact O-CB 3.3Å; F390-R394 PolarHBondContact O-N 2.73Å
391W97.3Very high96.1Very high14 Ų1454.7 Ų54.75%0.05325%0.247CC..Hα-helixtrans-58.6-54176.5175.9-97.7000112L379 D382 F383 S387 C388 K389 D393 R394 Q395 F405L379-W391 HydrophobicContact CB-CH2 3.71Å; L379-W391 HydrophobicContact CB-CZ2 4.05Å; L379-W391 HydrophobicContact CB-CZ3 4.38Å; L379-W391 HydrophobicContact CD1-CZ2 4.04Å; L379-W391 HydrophobicContact CD2-CH2 4.13Å; L379-W391 HydrophobicContact CD2-CZ2 3.95Å; L379-W391 HydrophobicContact CG-CH2 4.34Å; L379-W391 HydrophobicContact CG-CZ2 4.24Å; L379-W391 WeakPolarHBondContact O-CH2 3.22Å; L379-W391 WeakPolarHBondContact O-CZ3 3.2Å; D382-W391 HydrophobicContact CB-CE3 4.26Å; D382-W391 HydrophobicContact CB-CZ3 4.42Å; F383-W391 HydrophobicContact CB-CD2 4.15Å; F383-W391 HydrophobicContact CB-CE3 3.7Å; F383-W391 HydrophobicContact CB-CH2 4.25Å; F383-W391 HydrophobicContact CB-CZ3 3.77Å; F383-W391 AromaticContact CD2-CD2 3.88Å; F383-W391 HydrophobicContact CD2-CD2 3.88Å; F383-W391 AromaticContact CD2-CE2 3.94Å; F383-W391 HydrophobicContact CD2-CE3 4.32Å; F383-W391 HydrophobicContact CD2-CG 4.11Å; F383-W391 HydrophobicContact CD2-CZ2 4.39Å; S387-W391 PolarHBondContact O-N 3.33Å; C388-W391 PolarHBondContact O-N 3.32Å; K389-W391 VanDerWaalsContact C-N 3.26Å; K389-W391 PolarHBondContact O-N 3.42Å; W391-D393 VanDerWaalsContact C-N 3.32Å; W391-D393 PolarHBondContact O-N 3.44Å; W391-R394 PolarHBondContact O-N 3.18Å; W391-Q395 HydrophobicContact CD2-CG 4.21Å; W391-Q395 HydrophobicContact CG-CG 4.49Å; W391-Q395 HydrophobicContact CZ2-CG 4.06Å; W391-Q395 WeakPolarHBondContact O-CG 3.33Å; W391-Q395 PolarHBondContact O-N 3.4Å; W391-F405 HydrophobicContact CB-CE2 4.48Å; W391-F405 AromaticContact CD1-CD2 3.68Å; W391-F405 HydrophobicContact CG-CD2 4.36Å; W391-F405 HydrophobicContact CG-CE2 4.41Å
392M96.6Very high95.9Very high1 Ų154.1 Ų54.11%0.00524%0.242CC..Hα-helixtrans-58.7-44.1-178.4-70.6-170-76.700111.4C388 K389 R394 Q395 R396 V402 F405 F444C388-M392 HydrophobicContact CB-CE 4.48Å; C388-M392 WeakPolarHBondContact O-CB 3.12Å; C388-M392 WeakPolarHBondContact O-CG 3.49Å; C388-M392 PolarHBondContact O-N 3.23Å; K389-M392 PolarHBondContact O-N 3.46Å; K389-M392 VanDerWaalsContact O-N 3.14Å; M392-R394 VanDerWaalsContact C-N 3.35Å; M392-R394 PolarHBondContact O-N 3.35Å; M392-Q395 PolarHBondContact O-N 3.09Å; M392-R396 VanDerWaalsContact O-CG 3.31Å; M392-R396 WeakPolarHBondContact O-CG 3.36Å; M392-R396 PolarHBondContact O-N 2.71Å; M392-V402 HydrophobicContact CB-CB 4.29Å; M392-V402 HydrophobicContact CB-CG1 4.07Å; M392-V402 HydrophobicContact CG-CB 4Å; M392-V402 HydrophobicContact CG-CG1 4.34Å; M392-F405 HydrophobicContact CG-CB 3.92Å; M392-F405 HydrophobicContact CG-CD2 4.42Å; M392-F405 HydrophobicContact SD-CB 3.89Å; M392-F444 HydrophobicContact CE-CE1 4.03Å; M392-F444 HydrophobicContact CE-CZ 4.04Å
393D96.1Very high95.6Very high39 Ų3953.1 Ų53.121%0.20924%0.238CC..Hα-helixtrans-65.3-39.6178.5-72.4-19.8000111.9K389 W391 Q395 R396 Q397K389-D393 IonicContact NZ-OD2 3.43Å; K389-D393 PolarHBondContact NZ-OD2 3.18Å; K389-D393 PolarHBondContact O-N 2.85Å; W391-D393 VanDerWaalsContact C-N 3.32Å; W391-D393 PolarHBondContact O-N 3.44Å; D393-Q395 PolarHBondContact O-N 2.65Å; D393-R396 PolarHBondContact O-N 2.64Å; D393-R396 IonicContact OD1-CZ 3.24Å; D393-R396 IonicContact OD1-NH1 3.31Å; D393-R396 PolarHBondContact OD1-NH1 2.98Å; D393-Q397 VanDerWaalsContact O-CG 3.28Å; D393-Q397 WeakPolarHBondContact O-CG 3.33Å; D393-Q397 PolarHBondContact O-N 3.06Å
394R96.2Very high95.4Very high93 Ų9353.1 Ų53.135%0.35124%0.238SC..Hα-helixtrans-64.3-39.6174.9-168.762.2169.2162.1-2.5112.3F390 W391 M392 Q397 R398F390-R394 VanDerWaalsContact O-CB 3.28Å; F390-R394 WeakPolarHBondContact O-CB 3.3Å; F390-R394 PolarHBondContact O-N 2.73Å; W391-R394 PolarHBondContact O-N 3.18Å; M392-R394 VanDerWaalsContact C-N 3.35Å; M392-R394 PolarHBondContact O-N 3.35Å; R394-Q397 VanDerWaalsContact NH1-OE1 3.13Å; R394-R398 VanDerWaalsContact CG-NH1 3.28Å; R394-R398 VanDerWaalsContact NE-NH2 3.16Å; R394-R398 WeakPolarHBondContact O-CG 3.36Å; R394-R398 PolarHBondContact O-N 3.15Å
395Q95.9Very high95.3Very high17 Ų1753.2 Ų53.28%0.07924%0.238CC..Hα-helixtrans-66.1-43.3175-65-50.2-33.500111.7W391 M392 D393 Q397 R398 R399 H400 V402W391-Q395 HydrophobicContact CD2-CG 4.21Å; W391-Q395 HydrophobicContact CG-CG 4.49Å; W391-Q395 HydrophobicContact CZ2-CG 4.06Å; W391-Q395 WeakPolarHBondContact O-CG 3.33Å; W391-Q395 PolarHBondContact O-N 3.4Å; M392-Q395 PolarHBondContact O-N 3.09Å; D393-Q395 PolarHBondContact O-N 2.65Å; Q395-Q397 PolarHBondContact O-N 3.11Å; Q395-R398 CarbonylContact O-C 3.25Å; Q395-R398 WeakPolarHBondContact O-CA 3.32Å; Q395-R398 PolarHBondContact O-N 2.91Å; Q395-R398 VanDerWaalsContact O-N 3.09Å; Q395-R399 PolarHBondContact O-N 2.99Å; Q395-H400 HydrophobicContact CB-CB 4.34Å; Q395-H400 PolarHBondContact O-N 3.13Å; Q395-V402 HydrophobicContact CB-CG1 4.29Å
396R94.4Very high95.2Very high68 Ų6852 Ų5226%0.25723%0.233SC..Hα-helixtrans-58.8-45175-71.9175.4-171.5121.43.5112M392 D393 R398 R399 V402 D407M392-R396 VanDerWaalsContact O-CG 3.31Å; M392-R396 WeakPolarHBondContact O-CG 3.36Å; M392-R396 PolarHBondContact O-N 2.71Å; D393-R396 PolarHBondContact O-N 2.64Å; D393-R396 IonicContact OD1-CZ 3.24Å; D393-R396 IonicContact OD1-NH1 3.31Å; D393-R396 PolarHBondContact OD1-NH1 2.98Å; R396-R398 PolarHBondContact O-N 3.08Å; R396-R399 PolarHBondContact O-N 2.91Å; R396-V402 HydrophobicContact CG-CG1 3.83Å; R396-D407 IonicContact CZ-OD2 3.9Å; R396-D407 IonicContact NE-OD2 2.7Å; R396-D407 IonicContact NH2-OD2 2.72Å; R396-D407 PolarHBondContact NH2-OD2 3.08Å
397Q95.2Very high94.9Very high134 Ų13451.6 Ų51.663%0.62623%0.233SC*.Hα-helixtrans-57.8-39175.4-73.717110.600111.9D393 R394 Q395 R399D393-Q397 VanDerWaalsContact O-CG 3.28Å; D393-Q397 WeakPolarHBondContact O-CG 3.33Å; D393-Q397 PolarHBondContact O-N 3.06Å; R394-Q397 VanDerWaalsContact NH1-OE1 3.13Å; Q395-Q397 PolarHBondContact O-N 3.11Å; Q397-R399 VanDerWaalsContact C-N 3.27Å; Q397-R399 PolarHBondContact O-N 3.29Å
398R95.6Very high94.6Very high105 Ų10553.5 Ų53.540%0.39625%0.245SC..THydrogen-bonded Turntrans-81.90.4176.9-65.8176.7175.7140.5-3.9113.5R394 Q395 R396 H400R394-R398 VanDerWaalsContact CG-NH1 3.28Å; R394-R398 VanDerWaalsContact NE-NH2 3.16Å; R394-R398 WeakPolarHBondContact O-CG 3.36Å; R394-R398 PolarHBondContact O-N 3.15Å; Q395-R398 CarbonylContact O-C 3.25Å; Q395-R398 WeakPolarHBondContact O-CA 3.32Å; Q395-R398 PolarHBondContact O-N 2.91Å; Q395-R398 VanDerWaalsContact O-N 3.09Å; R396-R398 PolarHBondContact O-N 3.08Å; R398-H400 WeakPolarHBondContact CB-ND1 3.25Å; R398-H400 PolarHBondContact O-CE1 3.11Å; R398-H400 PolarHBondContact O-N 2.73Å; R398-H400 PolarHBondContact O-ND1 3.04Å
399R94Very high94.2Very high239 Ų23956 Ų5690%0.90226%0.26SS*.THydrogen-bonded Turntrans55.632.5-172.8-54.2-179.2178.6179.6-0.9113.6Q395 R396 Q397Q395-R399 PolarHBondContact O-N 2.99Å; R396-R399 PolarHBondContact O-N 2.91Å; Q397-R399 VanDerWaalsContact C-N 3.27Å; Q397-R399 PolarHBondContact O-N 3.29Å
400H91.4Very high93.7Very high110 Ų11059.7 Ų59.751%0.50927%0.274SS..  trans-98.8156.8174.8-75.766.9000110.5Q395 R398Q395-H400 HydrophobicContact CB-CB 4.34Å; Q395-H400 PolarHBondContact O-N 3.13Å; R398-H400 WeakPolarHBondContact CB-ND1 3.25Å; R398-H400 PolarHBondContact O-CE1 3.11Å; R398-H400 PolarHBondContact O-N 2.73Å; R398-H400 PolarHBondContact O-ND1 3.04Å
401P89.9Confident92.9Very high93 Ų9359.8 Ų59.860%0.60429%0.285SS*.  trans-57144.5169.8-2233.7000111.4T403P401-T403 WeakPolarHBondContact CB-OG1 3.31Å; P401-T403 PolarHBondContact O-N 3.44Å
402V92.9Very high92.1Very high21 Ų2164.6 Ų64.613%0.12732%0.321CS..  trans-81.4-2.3178-65.20000113.5M392 Q395 R396 F405M392-V402 HydrophobicContact CB-CB 4.29Å; M392-V402 HydrophobicContact CB-CG1 4.07Å; M392-V402 HydrophobicContact CG-CB 4Å; M392-V402 HydrophobicContact CG-CG1 4.34Å; Q395-V402 HydrophobicContact CB-CG1 4.29Å; R396-V402 HydrophobicContact CG-CG1 3.83Å; V402-F405 CarbonylContact C-O 3.58Å; V402-F405 PolarHBondContact O-N 2.9Å
403T91.1Very high91.6Very high32 Ų3268.3 Ų68.320%0.19635%0.345CS..THydrogen-bonded Turntrans-53.6140.5176.9-25.70000109.9P401 F405P401-T403 WeakPolarHBondContact CB-OG1 3.31Å; P401-T403 PolarHBondContact O-N 3.44Å; T403-F405 WeakPolarHBondContact CA-O 3.38Å; T403-F405 PolarHBondContact N-O 3.17Å
404P93.8Very high91.1Very high1 Ų167.5 Ų67.51%0.00634%0.341CS..THydrogen-bonded Turncis-77.3-14.411.732.6-36.9000116.2W375 L379 F383 Q420 F470 S471W375-P404 HydrophobicContact CD2-CB 4.09Å; W375-P404 HydrophobicContact CD2-CG 4.25Å; W375-P404 HydrophobicContact CE3-CB 3.67Å; W375-P404 HydrophobicContact CE3-CG 4.33Å; W375-P404 HydrophobicContact CH2-CB 3.74Å; W375-P404 HydrophobicContact CH2-CG 4.13Å; W375-P404 HydrophobicContact CZ2-CB 4.12Å; W375-P404 HydrophobicContact CZ2-CG 4.02Å; W375-P404 HydrophobicContact CZ3-CB 3.51Å; W375-P404 HydrophobicContact CZ3-CG 4.3Å; L379-P404 HydrophobicContact CD1-CG 4.09Å; F383-P404 HydrophobicContact CE2-CG 3.8Å; F383-P404 HydrophobicContact CZ-CG 4.11Å; P404-Q420 HydrophobicContact CB-CB 4.32Å; P404-Q420 HydrophobicContact CB-CG 4.42Å; P404-F470 WeakPolarHBondContact O-CB 3.5Å; P404-S471 PolarHBondContact O-N 2.98Å
405F96.2Very high90.8Very high3 Ų369.2 Ų69.21%0.01335%0.353CS..BIsolated β-bridgetrans-73.8170.6174.9-57-56.1000112.3R332 W375 F383 C388 W391 M392 V402 T403 C468 P469 F470R332-F405 HydrophobicContact CG-CE1 4.21Å; R332-F405 HydrophobicContact CG-CZ 4.01Å; W375-F405 HydrophobicContact CH2-CE1 4.47Å; W375-F405 HydrophobicContact CZ2-CE1 4.03Å; F383-F405 AromaticContact CD2-CE2 3.99Å; F383-F405 HydrophobicContact CD2-CE2 3.99Å; F383-F405 HydrophobicContact CE2-CD2 4.31Å; F383-F405 AromaticContact CE2-CE2 3.44Å; F383-F405 HydrophobicContact CE2-CE2 3.44Å; F383-F405 VanDerWaalsContact CE2-CE2 3.44Å; F383-F405 AromaticContact CE2-CZ 3.69Å; F383-F405 HydrophobicContact CE2-CZ 3.69Å; F383-F405 HydrophobicContact CZ-CE2 4.31Å; F383-F405 HydrophobicContact CZ-CZ 4.11Å; C388-F405 HydrophobicContact CB-CD1 4.02Å; C388-F405 HydrophobicContact CB-CD2 3.57Å; C388-F405 HydrophobicContact CB-CE1 3.88Å; C388-F405 HydrophobicContact CB-CE2 3.41Å; C388-F405 VanDerWaalsContact CB-CE2 3.41Å; C388-F405 HydrophobicContact CB-CG 3.89Å; C388-F405 HydrophobicContact CB-CZ 3.59Å; W391-F405 HydrophobicContact CB-CE2 4.48Å; W391-F405 AromaticContact CD1-CD2 3.68Å; W391-F405 HydrophobicContact CG-CD2 4.36Å; W391-F405 HydrophobicContact CG-CE2 4.41Å; M392-F405 HydrophobicContact CG-CB 3.92Å; M392-F405 HydrophobicContact CG-CD2 4.42Å; M392-F405 HydrophobicContact SD-CB 3.89Å; V402-F405 CarbonylContact C-O 3.58Å; V402-F405 PolarHBondContact O-N 2.9Å; T403-F405 WeakPolarHBondContact CA-O 3.38Å; T403-F405 PolarHBondContact N-O 3.17Å; F405-C468 HydrophobicContact CD1-CB 3.97Å; F405-C468 HydrophobicContact CE1-CB 3.69Å; F405-C468 HydrophobicContact CZ-CB 4.43Å; F405-P469 CarbonylContact C-O 3.46Å; F405-P469 WeakPolarHBondContact CA-O 3.36Å; F405-P469 VanDerWaalsContact CB-O 3.29Å; F405-P469 WeakPolarHBondContact CB-O 3.48Å; F405-P469 WeakPolarHBondContact CD1-O 3.48Å; F405-F470 HydrophobicContact CD1-CB 4.39Å
406C94.1Very high90.7Very high9 Ų969.2 Ų69.26%0.06135%0.353CS..  trans-149.7163.7-179.563.10000112.3C428 P469 F470C406-C428 HydrophobicContact CB-CB 3.7Å; C406-C428 WeakPolarHBondContact CB-SG 3.39Å; C406-C428 WeakPolarHBondContact SG-CA 3.49Å; C406-C428 WeakPolarHBondContact SG-CB 3.27Å; C406-C428 CovalentContact SG-SG 2.02Å; C406-C428 PolarHBondContact SG-SG 3.37Å; C406-P469 PolarHBondContact N-O 3.34Å; C406-P469 WeakPolarHBondContact O-CG 3.41Å; C406-F470 WeakPolarHBondContact SG-CA 3.35Å; C406-F470 PolarHBondContact SG-N 3.32Å; C406-F470 VanDerWaalsContact SG-N 3.37Å; C406-F470 PolarHBondContact SG-O 3.15Å; C406-F470 VanDerWaalsContact SG-O 3.37Å
407D91.9Very high90.7Very high43 Ų4367.1 Ų67.123%0.2335%0.348CS..  trans-136.615.8-174.960.7-8.2000113.4R396 F444R396-D407 IonicContact CZ-OD2 3.9Å; R396-D407 IonicContact NE-OD2 2.7Å; R396-D407 IonicContact NH2-OD2 2.72Å; R396-D407 PolarHBondContact NH2-OD2 3.08Å; D407-F444 HydrophobicContact CB-CE1 3.99Å
408T90.7Very high90.6Very high42 Ų4260.7 Ų60.726%0.25832%0.318SS..  trans-96.8123.9178.553.30000110.7R410 C428T408-R410 PolarHBondContact O-N 3.07Å; T408-C428 VanDerWaalsContact O-CB 3.23Å; T408-C428 WeakPolarHBondContact O-CB 3.25Å; T408-C428 PolarHBondContact O-SG 3.3Å; T408-C428 WeakPolarHBondContact OG1-CB 2.9Å
409V90.6Very high90.5Very high51 Ų5156.2 Ų56.231%0.30930%0.301SS..BIsolated β-bridgetrans-63.7133.4178.5-178.80000109.4A411 L430 I447 V450 F458V409-A411 PolarHBondContact O-N 3.45Å; V409-L430 HydrophobicContact CG2-CD2 4.28Å; V409-I447 HydrophobicContact CG2-CG2 3.4Å; V409-I447 VanDerWaalsContact CG2-CG2 3.4Å; V409-V450 HydrophobicContact CG2-CG2 3.84Å; V409-F458 HydrophobicContact CG1-CE1 3.94Å; V409-F458 HydrophobicContact CG2-CD1 4.21Å; V409-F458 HydrophobicContact CG2-CE1 3.79Å
410R86.5Confident90.3Very high82 Ų8248.6 Ų48.631%0.30928%0.275SS..  trans-66.9101.2171.4-171.3175.6173.4-155.8-6.8110.1V4 A6 T408 L414 L430V4-R410 PolarHBondContact O-NH2 3.37Å; A6-R410 VanDerWaalsContact N-NH2 3.16Å; T408-R410 PolarHBondContact O-N 3.07Å; R410-L414 HydrophobicContact CG-CD2 4.04Å; R410-L430 WeakPolarHBondContact CB-O 3.18Å; R410-L430 PolarHBondContact N-O 3.39Å
411A80.7Confident90.1Very high58 Ų5844.8 Ų44.848%0.47926%0.259SS..  trans-125.2171.3179.900000111.8V409 P413 L414V409-A411 PolarHBondContact O-N 3.45Å; A411-P413 CarbonylContact C-O 3.57Å; A411-P413 CarbonylContact O-C 3.59Å; A411-P413 VanDerWaalsContact O-C 3.25Å; A411-P413 VanDerWaalsContact O-O 3.06Å; A411-L414 WeakPolarHBondContact O-CA 3.33Å; A411-L414 WeakPolarHBondContact O-CD2 3.37Å; A411-L414 PolarHBondContact O-N 2.9Å
412S81Confident90.3Very high115 Ų11541.4 Ų41.480%0.80424%0.235SC*.SBendtrans-108.4124170.9177.70000108.8
413P85.2Confident90.3Very high80 Ų8041.7 Ų41.752%0.51924%0.235SC..SBendcis-71.2153.92.231.5-36.5000113.6A411 P535 D536A411-P413 CarbonylContact C-O 3.57Å; A411-P413 CarbonylContact O-C 3.59Å; A411-P413 VanDerWaalsContact O-C 3.25Å; A411-P413 VanDerWaalsContact O-O 3.06Å; P413-P535 HydrophobicContact CB-CB 3.97Å; P413-P535 WeakPolarHBondContact CB-O 3.27Å; P413-D536 WeakPolarHBondContact CA-OD1 3.38Å
414L86.4Confident90.4Very high22 Ų2240.1 Ų40.112%0.11523%0.226CC..  trans-77.6132.1-177.5-65.1160.5000111V4 R410 A411 L416 V427 D536 W537V4-L414 HydrophobicContact CB-CD1 3.5Å; V4-L414 VanDerWaalsContact CB-CD1 3.5Å; V4-L414 HydrophobicContact CG1-CD1 3.81Å; V4-L414 HydrophobicContact CG2-CD1 3.46Å; V4-L414 VanDerWaalsContact CG2-CD1 3.46Å; R410-L414 HydrophobicContact CG-CD2 4.04Å; A411-L414 WeakPolarHBondContact O-CA 3.33Å; A411-L414 WeakPolarHBondContact O-CD2 3.37Å; A411-L414 PolarHBondContact O-N 2.9Å; L414-L416 HydrophobicContact CB-CD2 4.1Å; L414-L416 PolarHBondContact O-N 3.41Å; L414-V427 HydrophobicContact CD2-CG1 4.32Å; L414-D536 HydrophobicContact CB-CB 3.98Å; L414-D536 PolarHBondContact N-OD1 3.39Å; L414-D536 VanDerWaalsContact O-CA 3.32Å; L414-D536 WeakPolarHBondContact O-CA 3.2Å; L414-W537 PolarHBondContact O-N 2.77Å
415Q89.8Confident90.4Very high129 Ų12940.1 Ų40.160%0.60323%0.226SC*.BIsolated β-bridgetrans-85.3103.2166.2-171.5175.81.300109.2
416L93.2Very high90.3Very high16 Ų1640 Ų408%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-77.5137.1-179.1-55.6-178000110.5L414 V425 V427 F474 D536 W537 G538 S539L414-L416 HydrophobicContact CB-CD2 4.1Å; L414-L416 PolarHBondContact O-N 3.41Å; L416-V425 HydrophobicContact CB-CG1 4.14Å; L416-V425 HydrophobicContact CD1-CG1 4.17Å; L416-V425 HydrophobicContact CD2-CG1 4.4Å; L416-V425 HydrophobicContact CG-CG1 4.48Å; L416-V427 HydrophobicContact CD2-CG1 3.83Å; L416-F474 HydrophobicContact CD2-CE1 4Å; L416-F474 HydrophobicContact CD2-CZ 3.77Å; L416-D536 HydrophobicContact CD1-CB 4.48Å; L416-D536 WeakPolarHBondContact CD1-O 3.13Å; L416-D536 HydrophobicContact CG-CB 4.46Å; L416-W537 PolarHBondContact N-O 3.25Å; L416-G538 CarbonylContact O-C 3.4Å; L416-G538 VanDerWaalsContact O-CA 3.27Å; L416-G538 WeakPolarHBondContact O-CA 3.37Å; L416-S539 WeakPolarHBondContact CB-OG 3.04Å
417T93.9Very high90.3Very high24 Ų2439.8 Ų39.815%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-126.3176.5174.3-1790000109.4A426 S471 Y518 S539T417-A426 HydrophobicContact CG2-CB 3.99Å; T417-A426 WeakPolarHBondContact CG2-O 3.47Å; T417-A426 PolarHBondContact N-O 3.49Å; T417-A426 WeakPolarHBondContact O-CA 3.43Å; T417-A426 PolarHBondContact O-N 2.92Å; T417-A426 VanDerWaalsContact O-O 3.08Å; T417-S471 WeakPolarHBondContact CG2-OG 3.22Å; T417-Y518 WeakPolarHBondContact OG1-CE1 3.06Å; T417-Y518 PolarHBondContact OG1-OH 2.9Å; T417-Y518 VanDerWaalsContact OG1-OH 3.13Å; T417-S539 PolarHBondContact N-OG 3Å; T417-S539 PolarHBondContact O-OG 2.7Å
418C94.1Very high90.4Very high0 Ų037.9 Ų37.90%021%0.214CC..EExtended strand (participates in β ladder)trans-98.1150.5169.2-640000111Q422 C516 Y518C418-Q422 HydrophobicContact CB-CG 4.26Å; C418-C516 WeakPolarHBondContact CA-SG 3.36Å; C418-C516 HydrophobicContact CB-CB 3.72Å; C418-C516 WeakPolarHBondContact CB-SG 3.36Å; C418-C516 WeakPolarHBondContact SG-CB 3.31Å; C418-C516 PolarHBondContact SG-O 3.31Å; C418-C516 CovalentContact SG-SG 2.05Å; C418-C516 PolarHBondContact SG-SG 3.44Å; C418-Y518 HydrophobicContact CB-CE1 4.49Å; C418-Y518 HydrophobicContact CB-CE2 4.18Å
419R92.6Very high90.5Very high11 Ų1136 Ų364%0.04220%0.202CC..  trans-57.2153.7161.1-169170.175.6160.58.4109.1Q345 D421 Q422 A424 E473Q345-R419 VanDerWaalsContact CD-CD 3.5Å; R419-D421 IonicContact CZ-OD1 2.71Å; R419-D421 IonicContact CZ-OD2 2.98Å; R419-D421 VanDerWaalsContact CZ-OD2 3.24Å; R419-D421 IonicContact NE-OD1 2.64Å; R419-D421 PolarHBondContact NE-OD1 3.23Å; R419-D421 IonicContact NE-OD2 2.65Å; R419-D421 PolarHBondContact NE-OD2 3.08Å; R419-D421 IonicContact NH2-OD1 2.9Å; R419-D421 PolarHBondContact NH2-OD1 3.38Å; R419-D421 IonicContact NH2-OD2 3.08Å; R419-D421 PolarHBondContact NH2-OD2 3.2Å; R419-D421 PolarHBondContact O-N 3.39Å; R419-D421 VanDerWaalsContact O-N 3.14Å; R419-Q422 WeakPolarHBondContact O-CA 3.33Å; R419-Q422 PolarHBondContact O-N 2.62Å; R419-A424 HydrophobicContact CB-CB 4.16Å; R419-A424 PolarHBondContact N-O 2.7Å; R419-E473 WeakPolarHBondContact CD-OE1 3.48Å; R419-E473 IonicContact CZ-OE1 3.02Å; R419-E473 IonicContact NE-OE1 3.02Å; R419-E473 IonicContact NH1-OE1 2.62Å; R419-E473 PolarHBondContact NH1-OE1 3.33Å
420Q89.5Confident90.8Very high78 Ų7833.5 Ų33.536%0.36419%0.187SC..THydrogen-bonded Turntrans-53.8-35.8-175.3171.76023.200113.8P404 Q422P404-Q420 HydrophobicContact CB-CB 4.32Å; P404-Q420 HydrophobicContact CB-CG 4.42Å; Q420-Q422 VanDerWaalsContact C-N 3.28Å
421D88.6Confident91.1Very high30 Ų3032.8 Ų32.816%0.1619%0.187CC..THydrogen-bonded Turntrans-884.3177.567.4-3.7000113.7D374 R419 L423D374-D421 HydrophobicContact CB-CB 4.12Å; R419-D421 IonicContact CZ-OD1 2.71Å; R419-D421 IonicContact CZ-OD2 2.98Å; R419-D421 VanDerWaalsContact CZ-OD2 3.24Å; R419-D421 IonicContact NE-OD1 2.64Å; R419-D421 PolarHBondContact NE-OD1 3.23Å; R419-D421 IonicContact NE-OD2 2.65Å; R419-D421 PolarHBondContact NE-OD2 3.08Å; R419-D421 IonicContact NH2-OD1 2.9Å; R419-D421 PolarHBondContact NH2-OD1 3.38Å; R419-D421 IonicContact NH2-OD2 3.08Å; R419-D421 PolarHBondContact NH2-OD2 3.2Å; R419-D421 PolarHBondContact O-N 3.39Å; R419-D421 VanDerWaalsContact O-N 3.14Å; D421-L423 HydrophobicContact CB-CG 4.31Å; D421-L423 PolarHBondContact O-N 3.24Å; D421-L423 VanDerWaalsContact O-N 3.13Å; D421-L423 PolarHBondContact OD1-N 3.4Å; D421-L423 WeakPolarHBondContact OD2-CD1 3.41Å
422Q93.1Very high91.7Very high23 Ų2335.1 Ų35.111%0.10719%0.187CC..SBendtrans54.427.8-177.7-61.4-172.5-100.400114C418 R419 Q420 V515 C516 F592C418-Q422 HydrophobicContact CB-CG 4.26Å; R419-Q422 WeakPolarHBondContact O-CA 3.33Å; R419-Q422 PolarHBondContact O-N 2.62Å; Q420-Q422 VanDerWaalsContact C-N 3.28Å; Q422-V515 CarbonylContact O-C 3.48Å; Q422-V515 WeakPolarHBondContact O-CA 3.35Å; Q422-V515 WeakPolarHBondContact O-CB 3.29Å; Q422-C516 PolarHBondContact NE2-O 2.71Å; Q422-C516 PolarHBondContact O-N 3.32Å; Q422-F592 HydrophobicContact CB-CE1 4.31Å; Q422-F592 HydrophobicContact CB-CZ 3.76Å; Q422-F592 HydrophobicContact CG-CZ 4.35Å
423L92.3Very high92.4Very high26 Ų2631.7 Ų31.714%0.13616%0.156CC..SBendtrans-93.6-7.9176-60.6-173000113.6D421 Y487 C488 V515D421-L423 HydrophobicContact CB-CG 4.31Å; D421-L423 PolarHBondContact O-N 3.24Å; D421-L423 VanDerWaalsContact O-N 3.13Å; D421-L423 PolarHBondContact OD1-N 3.4Å; D421-L423 WeakPolarHBondContact OD2-CD1 3.41Å; L423-Y487 HydrophobicContact CB-CD2 4.3Å; L423-Y487 HydrophobicContact CB-CE2 3.6Å; L423-Y487 HydrophobicContact CD1-CE2 4.38Å; L423-Y487 VanDerWaalsContact O-CD2 3.31Å; L423-Y487 WeakPolarHBondContact O-CD2 3.29Å; L423-C488 WeakPolarHBondContact O-CB 3.32Å; L423-C488 PolarHBondContact O-N 3.27Å; L423-V515 HydrophobicContact CD2-CG1 4.44Å
424A93.9Very high92.8Very high0 Ų034.3 Ų34.30%017%0.174CC..BIsolated β-bridgetrans-144.8151.6178.500000112.3R419 E473 S486 Y487 C516R419-A424 HydrophobicContact CB-CB 4.16Å; R419-A424 PolarHBondContact N-O 2.7Å; A424-E473 HydrophobicContact CB-CG 3.54Å; A424-S486 VanDerWaalsContact CA-O 3.32Å; A424-S486 WeakPolarHBondContact CA-O 3.46Å; A424-Y487 HydrophobicContact CB-CD2 4.18Å; A424-C516 WeakPolarHBondContact O-CB 3.08Å; A424-C516 PolarHBondContact O-SG 3.08Å; A424-C516 VanDerWaalsContact O-SG 3.41Å
425V94.9Very high93.2Very high1 Ų140.8 Ų40.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-73141.4163.1-176.30000108L416 F474 S486L416-V425 HydrophobicContact CB-CG1 4.14Å; L416-V425 HydrophobicContact CD1-CG1 4.17Å; L416-V425 HydrophobicContact CD2-CG1 4.4Å; L416-V425 HydrophobicContact CG-CG1 4.48Å; V425-F474 HydrophobicContact CG1-CE1 3.95Å; V425-F474 HydrophobicContact CG1-CZ 4.14Å; V425-S486 PolarHBondContact N-O 3.15Å; V425-S486 WeakPolarHBondContact O-CB 3.33Å; V425-S486 PolarHBondContact O-OG 3Å; V425-S486 VanDerWaalsContact O-OG 3.06Å
426A94.1Very high93.5Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-141.7167.4-17200000110.9T417 Q472T417-A426 HydrophobicContact CG2-CB 3.99Å; T417-A426 WeakPolarHBondContact CG2-O 3.47Å; T417-A426 PolarHBondContact N-O 3.49Å; T417-A426 WeakPolarHBondContact O-CA 3.43Å; T417-A426 PolarHBondContact O-N 2.92Å; T417-A426 VanDerWaalsContact O-O 3.08Å; A426-Q472 CarbonylContact C-O 3.58Å; A426-Q472 VanDerWaalsContact CA-O 3.23Å; A426-Q472 WeakPolarHBondContact CA-O 3.47Å; A426-Q472 WeakPolarHBondContact CB-O 3.47Å
427V93.4Very high93.6Very high4 Ų440.9 Ų40.92%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-130.8150.3170.4-69.30000108.8L414 L416 N429 Q472 F474L414-V427 HydrophobicContact CD2-CG1 4.32Å; L416-V427 HydrophobicContact CD2-CG1 3.83Å; V427-N429 PolarHBondContact O-N 3.46Å; V427-Q472 PolarHBondContact N-O 3.23Å; V427-Q472 PolarHBondContact O-N 2.88Å; V427-F474 HydrophobicContact CB-CD1 4.49Å; V427-F474 HydrophobicContact CG1-CD1 3.92Å; V427-F474 HydrophobicContact CG1-CE1 3.8Å; V427-F474 HydrophobicContact CG2-CD1 4.03Å
428C94Very high93.7Very high3 Ų342.9 Ų42.92%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-65.9126.6169.6-173.70000109C406 T408 L430C406-C428 HydrophobicContact CB-CB 3.7Å; C406-C428 WeakPolarHBondContact CB-SG 3.39Å; C406-C428 WeakPolarHBondContact SG-CA 3.49Å; C406-C428 WeakPolarHBondContact SG-CB 3.27Å; C406-C428 CovalentContact SG-SG 2.02Å; C406-C428 PolarHBondContact SG-SG 3.37Å; T408-C428 VanDerWaalsContact O-CB 3.23Å; T408-C428 WeakPolarHBondContact O-CB 3.25Å; T408-C428 PolarHBondContact O-SG 3.3Å; T408-C428 WeakPolarHBondContact OG1-CB 2.9Å; C428-L430 PolarHBondContact O-N 3.07Å; C428-L430 VanDerWaalsContact SG-CB 3.56Å
429N93.7Very high93.8Very high2 Ų247.6 Ų47.61%0.01124%0.241CC..  trans-85.319.8179.672.3-7.5000113.2V427 Q431 A461 P469 F470 Q472V427-N429 PolarHBondContact O-N 3.46Å; N429-Q431 PolarHBondContact O-N 2.95Å; N429-A461 HydrophobicContact CB-CB 4.2Å; N429-A461 WeakPolarHBondContact O-CB 3.22Å; N429-A461 PolarHBondContact O-N 2.77Å; N429-P469 WeakPolarHBondContact OD1-CA 3.38Å; N429-F470 PolarHBondContact N-O 3.03Å; N429-F470 VanDerWaalsContact ND2-CE1 3.28Å; N429-F470 WeakPolarHBondContact ND2-CE1 3.4Å; N429-F470 WeakPolarHBondContact ND2-CZ 3.45Å; N429-F470 PolarHBondContact OD1-N 3Å; N429-F470 PolarHBondContact OD1-O 2.87Å; N429-Q472 HydrophobicContact CB-CB 4.07Å; N429-Q472 VanDerWaalsContact CB-OE1 3.24Å; N429-Q472 PolarHBondContact ND2-OE1 2.99Å
430L95Very high93.9Very high0 Ų050.2 Ų50.20%025%0.254CS..EExtended strand (participates in β ladder)trans-69.3123.9174.117857.8000110.4V409 R410 C428 F444 I447 F458 G459 P469V409-L430 HydrophobicContact CG2-CD2 4.28Å; R410-L430 WeakPolarHBondContact CB-O 3.18Å; R410-L430 PolarHBondContact N-O 3.39Å; C428-L430 PolarHBondContact O-N 3.07Å; C428-L430 VanDerWaalsContact SG-CB 3.56Å; L430-F444 HydrophobicContact CD1-CE2 3.91Å; L430-F444 HydrophobicContact CD1-CZ 4.22Å; L430-F444 HydrophobicContact CD2-CZ 4.37Å; L430-I447 HydrophobicContact CD2-CD1 4.22Å; L430-I447 HydrophobicContact CD2-CG2 4.3Å; L430-F458 HydrophobicContact CD1-CB 4.13Å; L430-F458 HydrophobicContact CD1-CD1 4.33Å; L430-F458 HydrophobicContact CG-CD1 4.42Å; L430-G459 WeakPolarHBondContact CD1-O 3.4Å; L430-P469 HydrophobicContact CB-CB 3.81Å; L430-P469 HydrophobicContact CB-CG 4.44Å; L430-P469 HydrophobicContact CD1-CB 4.24Å; L430-P469 HydrophobicContact CD1-CG 4.15Å
431Q93.4Very high94.3Very high67 Ų6747.1 Ų47.131%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-138.7164.8-178.868.617722.400112.1N429 Y433 F458 G459 A461N429-Q431 PolarHBondContact O-N 2.95Å; Q431-Y433 HydrophobicContact CG-CD2 4.37Å; Q431-Y433 HydrophobicContact CG-CE2 3.87Å; Q431-F458 WeakPolarHBondContact O-CA 3.2Å; Q431-G459 PolarHBondContact N-O 2.82Å; Q431-G459 PolarHBondContact O-N 2.86Å; Q431-G459 VanDerWaalsContact O-N 3.16Å; Q431-A461 HydrophobicContact CG-CB 4.04Å
432K94.1Very high94.7Very high106 Ų10646.6 Ų46.646%0.46124%0.236SC..EExtended strand (participates in β ladder)trans-90.9129.5172.2-173.3174.8-180172.80110.3Q454 S457 F458K432-Q454 VanDerWaalsContact NZ-CD 3.35Å; K432-S457 CarbonylContact C-O 3.57Å; K432-F458 HydrophobicContact CB-CD1 4.27Å; K432-F458 HydrophobicContact CB-CD2 4.49Å; K432-F458 HydrophobicContact CB-CE1 3.81Å; K432-F458 HydrophobicContact CB-CE2 4.05Å; K432-F458 HydrophobicContact CB-CZ 3.7Å; K432-F458 HydrophobicContact CD-CE2 3.92Å; K432-F458 HydrophobicContact CD-CZ 3.96Å; K432-F458 HydrophobicContact CG-CD2 4.36Å; K432-F458 HydrophobicContact CG-CE2 3.88Å; K432-F458 HydrophobicContact CG-CZ 4Å
433Y94.4Very high94.8Very high43 Ų4345.7 Ų45.717%0.16923%0.231CC..  trans-88.8150.3172.4-74.3-100.6000110.9Q431 Q435 L437 S457 G460 A461 F467Q431-Y433 HydrophobicContact CG-CD2 4.37Å; Q431-Y433 HydrophobicContact CG-CE2 3.87Å; Y433-Q435 WeakPolarHBondContact CB-O 3.4Å; Y433-Q435 PolarHBondContact O-N 2.97Å; Y433-L437 HydrophobicContact CD1-CD2 4.07Å; Y433-L437 HydrophobicContact CD2-CD1 4.35Å; Y433-L437 HydrophobicContact CD2-CD2 3.79Å; Y433-L437 HydrophobicContact CD2-CG 4.32Å; Y433-L437 HydrophobicContact CE1-CD2 4.37Å; Y433-L437 HydrophobicContact CE2-CD2 4.12Å; Y433-L437 HydrophobicContact CG-CD2 3.77Å; Y433-S457 PolarHBondContact N-O 3.31Å; Y433-G460 PolarHBondContact OH-O 3.01Å; Y433-A461 WeakPolarHBondContact OH-CA 3.34Å; Y433-F467 HydrophobicContact CE1-CD1 4.35Å; Y433-F467 AromaticContact CE1-CE1 3.84Å; Y433-F467 HydrophobicContact CE1-CE1 3.84Å; Y433-F467 HydrophobicContact CE2-CD1 4.14Å; Y433-F467 HydrophobicContact CE2-CE1 4.43Å; Y433-F467 AromaticContact CZ-CD1 3.77Å; Y433-F467 AromaticContact CZ-CE1 3.73Å
434P94.2Very high95Very high136 Ų13644.6 Ų44.688%0.88323%0.226SC*.SBendtrans-63.2-29.1175.2-22.733.6000113.4
435Q94.4Very high95Very high158 Ų15848.3 Ų48.374%0.73825%0.245SC*.SBendtrans-115.8166.1179.5-62-177.913.900110.3Y433 S457Y433-Q435 WeakPolarHBondContact CB-O 3.4Å; Y433-Q435 PolarHBondContact O-N 2.97Å; Q435-S457 PolarHBondContact O-OG 3.48Å; Q435-S457 VanDerWaalsContact O-OG 3.13Å
436Q96.2Very high94.9Very high136 Ų13657.3 Ų57.364%0.63628%0.279SS*.PPolyproline II helixtrans-68.3140.5170.9-64.4-177.4-10.700109.5
437L96.8Very high94.8Very high10 Ų1057.7 Ų57.75%0.05228%0.281CS..PPolyproline II helixtrans-70.5154.5173.9-65.5177.4000110.2Y433 Q442 S456 F458 F467Y433-L437 HydrophobicContact CD1-CD2 4.07Å; Y433-L437 HydrophobicContact CD2-CD1 4.35Å; Y433-L437 HydrophobicContact CD2-CD2 3.79Å; Y433-L437 HydrophobicContact CD2-CG 4.32Å; Y433-L437 HydrophobicContact CE1-CD2 4.37Å; Y433-L437 HydrophobicContact CE2-CD2 4.12Å; Y433-L437 HydrophobicContact CG-CD2 3.77Å; L437-Q442 HydrophobicContact CB-CG 4.25Å; L437-Q442 PolarHBondContact O-NE2 3.09Å; L437-S456 PolarHBondContact N-O 3.36Å; L437-F458 WeakPolarHBondContact CD1-O 3.44Å; L437-F467 HydrophobicContact CD1-CB 4.4Å; L437-F467 HydrophobicContact CD1-CD1 4.25Å; L437-F467 HydrophobicContact CD1-CG 4.45Å; L437-F467 HydrophobicContact CD2-CD1 3.63Å; L437-F467 HydrophobicContact CD2-CE1 3.54Å; L437-F467 HydrophobicContact CD2-CG 4.32Å; L437-F467 HydrophobicContact CD2-CZ 4.16Å
438P95.7Very high94.5Very high67 Ų6761.3 Ų61.344%0.43531%0.305SS..PPolyproline II helixtrans-52.5145.2169.8-2332.7000111.1E440 Y441P438-E440 PolarHBondContact O-N 2.98Å; P438-E440 VanDerWaalsContact O-N 3.13Å; P438-Y441 HydrophobicContact CB-CD2 3.82Å; P438-Y441 HydrophobicContact CB-CE2 4.32Å; P438-Y441 HydrophobicContact CG-CD2 3.91Å; P438-Y441 HydrophobicContact CG-CE2 4.41Å; P438-Y441 PolarHBondContact O-N 2.8Å
439L94.9Very high94.1Very high98 Ų9869.4 Ų69.451%0.51335%0.348SS..G310 helixtrans-53.3-39.6-171.4-177.663.8000113I280 Y441 Q442I280-L439 HydrophobicContact CD1-CD1 3.81Å; I280-L439 HydrophobicContact CD1-CD2 4.26Å; I280-L439 HydrophobicContact CD1-CG 3.64Å; L439-Y441 PolarHBondContact O-N 2.85Å; L439-Q442 PolarHBondContact O-N 3.49Å
440E95.6Very high94Very high66 Ų6670.7 Ų70.731%0.30836%0.356SS..G310 helixtrans-65.9-17.1179.963.8-176-177.200114.9W278 V286 H288 P438W278-E440 VanDerWaalsContact CD1-O 3.26Å; W278-E440 PolarHBondContact NE1-O 3.16Å; W278-E440 VanDerWaalsContact NE1-O 3.12Å; V286-E440 HydrophobicContact CG2-CB 4.29Å; H288-E440 IonicContact ND1-OE2 3.94Å; P438-E440 PolarHBondContact O-N 2.98Å; P438-E440 VanDerWaalsContact O-N 3.13Å
441Y96.9Very high93.9Very high13 Ų1373.1 Ų73.15%0.05138%0.376CS..G310 helixtrans-110.29.7-178.4-56-55.1000113.4P438 L439 Y443 D466 F467P438-Y441 HydrophobicContact CB-CD2 3.82Å; P438-Y441 HydrophobicContact CB-CE2 4.32Å; P438-Y441 HydrophobicContact CG-CD2 3.91Å; P438-Y441 HydrophobicContact CG-CE2 4.41Å; P438-Y441 PolarHBondContact O-N 2.8Å; L439-Y441 PolarHBondContact O-N 2.85Å; Y441-Y443 WeakPolarHBondContact CD1-OH 3.16Å; Y441-Y443 WeakPolarHBondContact O-CD2 3.4Å; Y441-Y443 WeakPolarHBondContact O-CE2 3.43Å; Y441-Y443 PolarHBondContact O-N 3.4Å; Y441-D466 HydrophobicContact CD1-CB 4Å; Y441-D466 VanDerWaalsContact CD1-O 3.29Å; Y441-D466 WeakPolarHBondContact CD1-O 3.3Å; Y441-D466 HydrophobicContact CE1-CB 3.79Å; Y441-F467 HydrophobicContact CD1-CD2 4.12Å; Y441-F467 AromaticContact CD2-CD2 3.63Å; Y441-F467 HydrophobicContact CD2-CD2 3.63Å; Y441-F467 AromaticContact CD2-CE2 3.76Å; Y441-F467 HydrophobicContact CD2-CE2 3.76Å; Y441-F467 HydrophobicContact CE2-CD2 4.33Å; Y441-F467 HydrophobicContact CE2-CE2 4.26Å; Y441-F467 AromaticContact CG-CD2 3.56Å; Y441-F467 HydrophobicContact CG-CD2 3.56Å; Y441-F467 HydrophobicContact CG-CE2 4.19Å; Y441-F467 HydrophobicContact CG-CG 4.44Å
442Q97.1Very high93.8Very high19 Ų1973 Ų739%0.08939%0.387CS..  trans-88103.2174.6-62.5-177.124.500109.7I280 R281 L437 L439 S456I280-Q442 CarbonylContact C-O 3.6Å; R281-Q442 HydrophobicContact CB-CB 4.12Å; R281-Q442 VanDerWaalsContact CB-O 3.28Å; R281-Q442 WeakPolarHBondContact CB-O 3.41Å; R281-Q442 PolarHBondContact N-O 2.85Å; L437-Q442 HydrophobicContact CB-CG 4.25Å; L437-Q442 PolarHBondContact O-NE2 3.09Å; L439-Q442 PolarHBondContact O-N 3.49Å; Q442-S456 VanDerWaalsContact OE1-CB 3.29Å
443Y96.9Very high93.7Very high4 Ų473.8 Ų73.82%0.01640%0.396CS..  trans-102.5-12.8-169-60.7-51.9000116.6W278 C388 K389 Y441 D466 F467 C468W278-Y443 AromaticContact NE1-CE1 3.79Å; C388-Y443 VanDerWaalsContact SG-CE2 3.51Å; K389-Y443 HydrophobicContact CB-CD1 3.89Å; K389-Y443 HydrophobicContact CB-CG 4.32Å; K389-Y443 VanDerWaalsContact CD-O 3.24Å; K389-Y443 WeakPolarHBondContact CD-O 3.48Å; K389-Y443 VanDerWaalsContact CG-O 3.27Å; K389-Y443 WeakPolarHBondContact CG-O 3.33Å; Y441-Y443 WeakPolarHBondContact CD1-OH 3.16Å; Y441-Y443 WeakPolarHBondContact O-CD2 3.4Å; Y441-Y443 WeakPolarHBondContact O-CE2 3.43Å; Y441-Y443 PolarHBondContact O-N 3.4Å; Y443-D466 WeakPolarHBondContact CE2-O 3.31Å; Y443-D466 VanDerWaalsContact CZ-O 3.23Å; Y443-D466 WeakPolarHBondContact OH-CB 3.39Å; Y443-D466 PolarHBondContact OH-O 3.47Å; Y443-F467 HydrophobicContact CE2-CB 4.42Å; Y443-C468 HydrophobicContact CE2-CB 4.49Å
444F95.9Very high93.7Very high4 Ų475.1 Ų75.12%0.01840%0.404CS..  trans-108.9116.9-163.7-65-80.3000112.8R281 M392 D407 L430 R446 I447 L455 P469R281-F444 WeakPolarHBondContact CD-O 3.43Å; R281-F444 WeakPolarHBondContact CG-O 3.46Å; R281-F444 PolarHBondContact NE-O 2.9Å; M392-F444 HydrophobicContact CE-CE1 4.03Å; M392-F444 HydrophobicContact CE-CZ 4.04Å; D407-F444 HydrophobicContact CB-CE1 3.99Å; L430-F444 HydrophobicContact CD1-CE2 3.91Å; L430-F444 HydrophobicContact CD1-CZ 4.22Å; L430-F444 HydrophobicContact CD2-CZ 4.37Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-I447 HydrophobicContact CB-CD1 3.83Å; F444-I447 HydrophobicContact CB-CG1 3.68Å; F444-I447 HydrophobicContact CD1-CD1 4.12Å; F444-I447 HydrophobicContact CD1-CG1 3.65Å; F444-I447 HydrophobicContact CD2-CD1 3.94Å; F444-I447 HydrophobicContact CD2-CG1 4.38Å; F444-I447 HydrophobicContact CE1-CG1 4.45Å; F444-I447 HydrophobicContact CG-CD1 3.67Å; F444-I447 HydrophobicContact CG-CG1 3.62Å; F444-L455 HydrophobicContact CB-CD2 4.42Å; F444-P469 HydrophobicContact CE2-CG 3.97Å; F444-P469 HydrophobicContact CZ-CG 3.46Å; F444-P469 VanDerWaalsContact CZ-CG 3.46Å
445D94.4Very high93.7Very high77 Ų7768.9 Ų68.941%0.41236%0.363SS..SBendtrans-79.8-23.4166.3-59.8-35.4000111.8R281 G282 K389 L455R281-D445 WeakPolarHBondContact CA-OD1 3.41Å; G282-D445 PolarHBondContact N-OD1 3.16Å; K389-D445 IonicContact NZ-OD1 2.92Å; K389-D445 IonicContact NZ-OD2 2.76Å; K389-D445 PolarHBondContact NZ-OD2 2.85Å; D445-L455 WeakPolarHBondContact O-CD1 3.49Å
446R92.4Very high93.8Very high190 Ų19061.7 Ų61.772%0.71733%0.33SS*.  trans-154.3145173.965.6-178-175.6-178.60.5110.2F444F444-R446 VanDerWaalsContact C-N 3.34Å
447I91.7Very high93.8Very high8 Ų856 Ų564%0.04131%0.305CS..  trans-131.6133.9164.8-61.7168.4000105.5V409 L430 F444 D449 V450 L455 F458V409-I447 HydrophobicContact CG2-CG2 3.4Å; V409-I447 VanDerWaalsContact CG2-CG2 3.4Å; L430-I447 HydrophobicContact CD2-CD1 4.22Å; L430-I447 HydrophobicContact CD2-CG2 4.3Å; F444-I447 HydrophobicContact CB-CD1 3.83Å; F444-I447 HydrophobicContact CB-CG1 3.68Å; F444-I447 HydrophobicContact CD1-CD1 4.12Å; F444-I447 HydrophobicContact CD1-CG1 3.65Å; F444-I447 HydrophobicContact CD2-CD1 3.94Å; F444-I447 HydrophobicContact CD2-CG1 4.38Å; F444-I447 HydrophobicContact CE1-CG1 4.45Å; F444-I447 HydrophobicContact CG-CD1 3.67Å; F444-I447 HydrophobicContact CG-CG1 3.62Å; I447-D449 PolarHBondContact O-N 3.34Å; I447-V450 HydrophobicContact CB-CB 3.96Å; I447-V450 HydrophobicContact CB-CG2 3.95Å; I447-V450 HydrophobicContact CG2-CB 4.24Å; I447-V450 HydrophobicContact CG2-CG2 3.67Å; I447-V450 PolarHBondContact O-N 3.11Å; I447-L455 HydrophobicContact CB-CD2 3.94Å; I447-L455 HydrophobicContact CD1-CD2 3.84Å; I447-L455 HydrophobicContact CG1-CD2 3.76Å; I447-F458 HydrophobicContact CD1-CB 3.44Å; I447-F458 VanDerWaalsContact CD1-CB 3.44Å; I447-F458 HydrophobicContact CD1-CD1 3.99Å; I447-F458 HydrophobicContact CD1-CD2 4.34Å; I447-F458 HydrophobicContact CD1-CG 3.69Å
448P86.8Confident93.8Very high80 Ų8056 Ų5652%0.51931%0.305SS..THydrogen-bonded Turntrans-51.6135.5175.7-25.734.9000111.3V450P448-V450 PolarHBondContact O-N 2.88Å; P448-V450 VanDerWaalsContact O-N 3.14Å
449D85.7Confident93.8Very high174 Ų17452.8 Ų52.893%0.9328%0.284SS*.THydrogen-bonded Turntrans61.917.7176.4-48.8-49.4000115.9I447I447-D449 PolarHBondContact O-N 3.34Å
450V92.1Very high93.8Very high28 Ų2848.1 Ų48.117%0.1726%0.259CS..  trans-117131.7175.4178.70000110.6V409 I447 P448 Q454 L455 F458V409-V450 HydrophobicContact CG2-CG2 3.84Å; I447-V450 HydrophobicContact CB-CB 3.96Å; I447-V450 HydrophobicContact CB-CG2 3.95Å; I447-V450 HydrophobicContact CG2-CB 4.24Å; I447-V450 HydrophobicContact CG2-CG2 3.67Å; I447-V450 PolarHBondContact O-N 3.11Å; P448-V450 PolarHBondContact O-N 2.88Å; P448-V450 VanDerWaalsContact O-N 3.14Å; V450-Q454 HydrophobicContact CG1-CB 4.13Å; V450-L455 HydrophobicContact CB-CD2 4.32Å; V450-L455 HydrophobicContact CG1-CD2 3.89Å; V450-F458 HydrophobicContact CG1-CD2 3.94Å; V450-F458 HydrophobicContact CG1-CE2 3.43Å; V450-F458 VanDerWaalsContact CG1-CE2 3.43Å; V450-F458 HydrophobicContact CG1-CZ 3.86Å; V450-F458 HydrophobicContact CG2-CE1 4.1Å; V450-F458 HydrophobicContact CG2-CE2 4.21Å; V450-F458 HydrophobicContact CG2-CZ 3.77Å
451A92.9Very high93.7Very high52 Ų5246.1 Ų46.143%0.4326%0.255SS..  trans-69.3145.4177.400000112.2D453 Q454A451-D453 VanDerWaalsContact C-N 3.26Å; A451-D453 WeakPolarHBondContact CB-OD1 3.34Å; A451-D453 PolarHBondContact O-N 3.02Å; A451-Q454 HydrophobicContact CB-CG 4.43Å; A451-Q454 PolarHBondContact O-N 3.25Å
452A91.8Very high93.5Very high65 Ų6545.8 Ų45.854%0.53725%0.254SS..G310 helixtrans-62.2-30.3-170.800000114.2R281 Q454 L455R281-A452 PolarHBondContact NH2-O 2.74Å; A452-Q454 PolarHBondContact O-N 3.29Å; A452-L455 HydrophobicContact CB-CD1 4.38Å
453D91.7Very high93.3Very high121 Ų12149.8 Ų49.865%0.64727%0.272SS*.G310 helixtrans-70.9-17.3176.764.3-39.3000113.2A451A451-D453 VanDerWaalsContact C-N 3.26Å; A451-D453 WeakPolarHBondContact CB-OD1 3.34Å; A451-D453 PolarHBondContact O-N 3.02Å
454Q93.8Very high93.2Very high71 Ų7149.8 Ų49.833%0.33227%0.273SS..G310 helixtrans-97.1-14.1-179.7-56.1-166.4-3.400113.6K432 V450 A451 A452 S456 S457 F458K432-Q454 VanDerWaalsContact NZ-CD 3.35Å; V450-Q454 HydrophobicContact CG1-CB 4.13Å; A451-Q454 HydrophobicContact CB-CG 4.43Å; A451-Q454 PolarHBondContact O-N 3.25Å; A452-Q454 PolarHBondContact O-N 3.29Å; Q454-S456 PolarHBondContact O-N 3.31Å; Q454-S456 VanDerWaalsContact O-N 3.16Å; Q454-S457 PolarHBondContact O-N 3.5Å; Q454-F458 HydrophobicContact CB-CE2 4.19Å; Q454-F458 WeakPolarHBondContact O-CD2 2.87Å
455L94.9Very high93.2Very high5 Ų549.7 Ų49.73%0.02627%0.272CS..G310 helixtrans-58.1-32.6-171.2-67.4173000113.7F444 D445 I447 V450 A452 S457 F458F444-L455 HydrophobicContact CB-CD2 4.42Å; D445-L455 WeakPolarHBondContact O-CD1 3.49Å; I447-L455 HydrophobicContact CB-CD2 3.94Å; I447-L455 HydrophobicContact CD1-CD2 3.84Å; I447-L455 HydrophobicContact CG1-CD2 3.76Å; V450-L455 HydrophobicContact CB-CD2 4.32Å; V450-L455 HydrophobicContact CG1-CD2 3.89Å; A452-L455 HydrophobicContact CB-CD1 4.38Å; L455-S457 PolarHBondContact O-N 3.19Å; L455-S457 VanDerWaalsContact O-N 3.13Å; L455-F458 PolarHBondContact O-N 3.23Å; L455-F458 VanDerWaalsContact O-N 3.12Å
456S95.8Very high93.4Very high8 Ų846 Ų466%0.05625%0.253CS..G310 helixtrans-63.6-15.5177.8530000113.9L437 Q442 Q454L437-S456 PolarHBondContact N-O 3.36Å; Q442-S456 VanDerWaalsContact OE1-CB 3.29Å; Q454-S456 PolarHBondContact O-N 3.31Å; Q454-S456 VanDerWaalsContact O-N 3.16Å
457S96.2Very high93.6Very high15 Ų1537.7 Ų37.711%0.10522%0.222CC..G310 helixtrans-101.46.2178.5-67.40000113K432 Y433 Q435 Q454 L455K432-S457 CarbonylContact C-O 3.57Å; Y433-S457 PolarHBondContact N-O 3.31Å; Q435-S457 PolarHBondContact O-OG 3.48Å; Q435-S457 VanDerWaalsContact O-OG 3.13Å; Q454-S457 PolarHBondContact O-N 3.5Å; L455-S457 PolarHBondContact O-N 3.19Å; L455-S457 VanDerWaalsContact O-N 3.13Å
458F96.2Very high93.8Very high10 Ų1037.3 Ų37.34%0.04422%0.22CC..EExtended strand (participates in β ladder)trans-104.6131.9178.6-80.8-98.4000111.8V409 L430 Q431 K432 L437 I447 V450 Q454 L455V409-F458 HydrophobicContact CG1-CE1 3.94Å; V409-F458 HydrophobicContact CG2-CD1 4.21Å; V409-F458 HydrophobicContact CG2-CE1 3.79Å; L430-F458 HydrophobicContact CD1-CB 4.13Å; L430-F458 HydrophobicContact CD1-CD1 4.33Å; L430-F458 HydrophobicContact CG-CD1 4.42Å; Q431-F458 WeakPolarHBondContact O-CA 3.2Å; K432-F458 HydrophobicContact CB-CD1 4.27Å; K432-F458 HydrophobicContact CB-CD2 4.49Å; K432-F458 HydrophobicContact CB-CE1 3.81Å; K432-F458 HydrophobicContact CB-CE2 4.05Å; K432-F458 HydrophobicContact CB-CZ 3.7Å; K432-F458 HydrophobicContact CD-CE2 3.92Å; K432-F458 HydrophobicContact CD-CZ 3.96Å; K432-F458 HydrophobicContact CG-CD2 4.36Å; K432-F458 HydrophobicContact CG-CE2 3.88Å; K432-F458 HydrophobicContact CG-CZ 4Å; L437-F458 WeakPolarHBondContact CD1-O 3.44Å; I447-F458 HydrophobicContact CD1-CB 3.44Å; I447-F458 VanDerWaalsContact CD1-CB 3.44Å; I447-F458 HydrophobicContact CD1-CD1 3.99Å; I447-F458 HydrophobicContact CD1-CD2 4.34Å; I447-F458 HydrophobicContact CD1-CG 3.69Å; V450-F458 HydrophobicContact CG1-CD2 3.94Å; V450-F458 HydrophobicContact CG1-CE2 3.43Å; V450-F458 VanDerWaalsContact CG1-CE2 3.43Å; V450-F458 HydrophobicContact CG1-CZ 3.86Å; V450-F458 HydrophobicContact CG2-CE1 4.1Å; V450-F458 HydrophobicContact CG2-CE2 4.21Å; V450-F458 HydrophobicContact CG2-CZ 3.77Å; Q454-F458 HydrophobicContact CB-CE2 4.19Å; Q454-F458 WeakPolarHBondContact O-CD2 2.87Å; L455-F458 PolarHBondContact O-N 3.23Å; L455-F458 VanDerWaalsContact O-N 3.12Å
459G96.4Very high94.3Very high0 Ų033.5 Ų33.50%020%0.195CC..EExtended strand (participates in β ladder)trans-162173.6175.700000111.6L430 Q431L430-G459 WeakPolarHBondContact CD1-O 3.4Å; Q431-G459 PolarHBondContact N-O 2.82Å; Q431-G459 PolarHBondContact O-N 2.86Å; Q431-G459 VanDerWaalsContact O-N 3.16Å
460G95.7Very high94.8Very high0 Ų025.3 Ų25.30%015%0.151CC..EExtended strand (participates in β ladder)trans-65.1141172.500000111.4Y433 V462 F467Y433-G460 PolarHBondContact OH-O 3.01Å; G460-V462 PolarHBondContact O-N 3.44Å; G460-V462 VanDerWaalsContact O-N 3.13Å; G460-F467 PolarHBondContact N-O 3.24Å
461A93.1Very high94.8Very high25 Ų2524.2 Ų24.221%0.20715%0.145CC..SBendtrans-66.4-11.1-176.100000115N429 Q431 Y433N429-A461 HydrophobicContact CB-CB 4.2Å; N429-A461 WeakPolarHBondContact O-CB 3.22Å; N429-A461 PolarHBondContact O-N 2.77Å; Q431-A461 HydrophobicContact CG-CB 4.04Å; Y433-A461 WeakPolarHBondContact OH-CA 3.34Å
462V92.9Very high94.8Very high5 Ų521.7 Ų21.73%0.0312%0.124CC..  trans-101.1104.7178.3-177.70000107.8H9 K331 T344 G460 I464 A465 F470H9-V462 VanDerWaalsContact CD2-CG2 3.43Å; H9-V462 WeakPolarHBondContact CD2-CG2 3.21Å; H9-V462 VanDerWaalsContact NE2-CG2 3.29Å; H9-V462 WeakPolarHBondContact NE2-CG2 3.23Å; K331-V462 HydrophobicContact CD-CG1 3.84Å; T344-V462 HydrophobicContact CG2-CG1 4.46Å; T344-V462 HydrophobicContact CG2-CG2 3.77Å; G460-V462 PolarHBondContact O-N 3.44Å; G460-V462 VanDerWaalsContact O-N 3.13Å; V462-I464 HydrophobicContact CG1-CG1 3.87Å; V462-I464 PolarHBondContact O-N 2.88Å; V462-A465 HydrophobicContact CB-CB 4.14Å; V462-A465 HydrophobicContact CG1-CB 3.98Å; V462-A465 PolarHBondContact O-N 2.76Å; V462-F470 HydrophobicContact CB-CE1 4.15Å; V462-F470 HydrophobicContact CB-CZ 4.41Å; V462-F470 HydrophobicContact CG2-CE1 4.04Å; V462-F470 HydrophobicContact CG2-CZ 3.86Å
463E93.1Very high94.8Very high104 Ų10419.2 Ų19.249%0.48610%0.102SC..THydrogen-bonded Turntrans-54.1-55.7-178.6171.7172.4177.400111.3Q319 A465 D466 F467Q319-E463 PolarHBondContact OE1-O 3.05Å; E463-A465 PolarHBondContact O-N 3.31Å; E463-D466 PolarHBondContact O-N 3.32Å; E463-D466 VanDerWaalsContact O-N 3.11Å; E463-F467 HydrophobicContact CB-CE1 4.24Å; E463-F467 HydrophobicContact CB-CE2 4.48Å; E463-F467 HydrophobicContact CB-CZ 4.05Å; E463-F467 HydrophobicContact CG-CE1 4.31Å; E463-F467 HydrophobicContact CG-CE2 3.83Å; E463-F467 HydrophobicContact CG-CZ 3.62Å; E463-F467 PolarHBondContact O-N 2.84Å
464I94.1Very high94.6Very high4 Ų413.6 Ų13.62%0.0217%0.071CC..THydrogen-bonded Turntrans-66.24-176.670.9165.9000115.1E317 Q319 T324 K331 G341 S342 V462 D466E317-I464 WeakPolarHBondContact OE2-CB 3.37Å; E317-I464 VanDerWaalsContact OE2-O 3.12Å; Q319-I464 HydrophobicContact CB-CB 4.45Å; Q319-I464 HydrophobicContact CB-CG2 4.11Å; T324-I464 HydrophobicContact CG2-CD1 4.17Å; T324-I464 HydrophobicContact CG2-CG2 4.21Å; K331-I464 HydrophobicContact CB-CD1 4.33Å; K331-I464 HydrophobicContact CB-CG1 4.2Å; K331-I464 VanDerWaalsContact CB-O 3.32Å; K331-I464 WeakPolarHBondContact CB-O 3.34Å; K331-I464 HydrophobicContact CD-CD1 3.77Å; K331-I464 HydrophobicContact CD-CG1 3.74Å; G341-I464 WeakPolarHBondContact O-CD1 3.35Å; S342-I464 WeakPolarHBondContact OG-CD1 3.31Å; V462-I464 HydrophobicContact CG1-CG1 3.87Å; V462-I464 PolarHBondContact O-N 2.88Å; I464-D466 VanDerWaalsContact C-N 3.27Å
465A96.6Very high94.2Very high1 Ų111.1 Ų11.11%0.0086%0.062CC..THydrogen-bonded Turntrans-99.533.3168.600000110.1K331 V462 E463 F467 C468 F470K331-A465 HydrophobicContact CB-CB 4.47Å; K331-A465 HydrophobicContact CG-CB 4.47Å; V462-A465 HydrophobicContact CB-CB 4.14Å; V462-A465 HydrophobicContact CG1-CB 3.98Å; V462-A465 PolarHBondContact O-N 2.76Å; E463-A465 PolarHBondContact O-N 3.31Å; A465-F467 PolarHBondContact O-N 2.93Å; A465-F467 VanDerWaalsContact O-N 3.16Å; A465-C468 VanDerWaalsContact O-CB 3.24Å; A465-C468 WeakPolarHBondContact O-CB 3.36Å; A465-C468 PolarHBondContact O-N 2.8Å; A465-F470 HydrophobicContact CB-CE1 4.03Å
466D96.8Very high93.6Very high1 Ų111.5 Ų11.51%0.0056%0.063CC..THydrogen-bonded Turntrans50.532-169.5-64.7-47.4000112.9W278 Q319 R332 Y441 Y443 E463 I464 C468W278-D466 HydrophobicContact CZ2-CB 4.43Å; Q319-D466 VanDerWaalsContact OE1-CA 3.24Å; Q319-D466 PolarHBondContact OE1-OD1 3.43Å; R332-D466 WeakPolarHBondContact CD-OD2 3.41Å; R332-D466 IonicContact CZ-OD2 3.8Å; R332-D466 IonicContact NE-OD2 3.48Å; R332-D466 PolarHBondContact NE-OD2 2.85Å; Y441-D466 HydrophobicContact CD1-CB 4Å; Y441-D466 VanDerWaalsContact CD1-O 3.29Å; Y441-D466 WeakPolarHBondContact CD1-O 3.3Å; Y441-D466 HydrophobicContact CE1-CB 3.79Å; Y443-D466 WeakPolarHBondContact CE2-O 3.31Å; Y443-D466 VanDerWaalsContact CZ-O 3.23Å; Y443-D466 WeakPolarHBondContact OH-CB 3.39Å; Y443-D466 PolarHBondContact OH-O 3.47Å; E463-D466 PolarHBondContact O-N 3.32Å; E463-D466 VanDerWaalsContact O-N 3.11Å; I464-D466 VanDerWaalsContact C-N 3.27Å; D466-C468 PolarHBondContact O-N 2.83Å
467F96.7Very high92.9Very high14 Ų1412.6 Ų12.66%0.0617%0.067CC..THydrogen-bonded Turntrans52.319.9-168.9-59.4-96.3000114.8Y433 L437 Y441 Y443 G460 E463 A465 P469Y433-F467 HydrophobicContact CE1-CD1 4.35Å; Y433-F467 AromaticContact CE1-CE1 3.84Å; Y433-F467 HydrophobicContact CE1-CE1 3.84Å; Y433-F467 HydrophobicContact CE2-CD1 4.14Å; Y433-F467 HydrophobicContact CE2-CE1 4.43Å; Y433-F467 AromaticContact CZ-CD1 3.77Å; Y433-F467 AromaticContact CZ-CE1 3.73Å; L437-F467 HydrophobicContact CD1-CB 4.4Å; L437-F467 HydrophobicContact CD1-CD1 4.25Å; L437-F467 HydrophobicContact CD1-CG 4.45Å; L437-F467 HydrophobicContact CD2-CD1 3.63Å; L437-F467 HydrophobicContact CD2-CE1 3.54Å; L437-F467 HydrophobicContact CD2-CG 4.32Å; L437-F467 HydrophobicContact CD2-CZ 4.16Å; Y441-F467 HydrophobicContact CD1-CD2 4.12Å; Y441-F467 AromaticContact CD2-CD2 3.63Å; Y441-F467 HydrophobicContact CD2-CD2 3.63Å; Y441-F467 AromaticContact CD2-CE2 3.76Å; Y441-F467 HydrophobicContact CD2-CE2 3.76Å; Y441-F467 HydrophobicContact CE2-CD2 4.33Å; Y441-F467 HydrophobicContact CE2-CE2 4.26Å; Y441-F467 AromaticContact CG-CD2 3.56Å; Y441-F467 HydrophobicContact CG-CD2 3.56Å; Y441-F467 HydrophobicContact CG-CE2 4.19Å; Y441-F467 HydrophobicContact CG-CG 4.44Å; Y443-F467 HydrophobicContact CE2-CB 4.42Å; G460-F467 PolarHBondContact N-O 3.24Å; E463-F467 HydrophobicContact CB-CE1 4.24Å; E463-F467 HydrophobicContact CB-CE2 4.48Å; E463-F467 HydrophobicContact CB-CZ 4.05Å; E463-F467 HydrophobicContact CG-CE1 4.31Å; E463-F467 HydrophobicContact CG-CE2 3.83Å; E463-F467 HydrophobicContact CG-CZ 3.62Å; E463-F467 PolarHBondContact O-N 2.84Å; A465-F467 PolarHBondContact O-N 2.93Å; A465-F467 VanDerWaalsContact O-N 3.16Å; F467-P469 WeakPolarHBondContact O-CD 3.18Å
468C97.6Very high92Very high0 Ų015.1 Ų15.10%08%0.079CC..  trans-73.3122174.5-720000109.4R332 C388 F405 Y443 A465 D466 F470R332-C468 HydrophobicContact CG-CB 4.24Å; C388-C468 HydrophobicContact CB-CB 3.64Å; C388-C468 WeakPolarHBondContact CB-SG 3.49Å; C388-C468 VanDerWaalsContact SG-CA 3.56Å; C388-C468 WeakPolarHBondContact SG-CB 3.46Å; C388-C468 CovalentContact SG-SG 2.03Å; C388-C468 PolarHBondContact SG-SG 3.4Å; F405-C468 HydrophobicContact CD1-CB 3.97Å; F405-C468 HydrophobicContact CE1-CB 3.69Å; F405-C468 HydrophobicContact CZ-CB 4.43Å; Y443-C468 HydrophobicContact CE2-CB 4.49Å; A465-C468 VanDerWaalsContact O-CB 3.24Å; A465-C468 WeakPolarHBondContact O-CB 3.36Å; A465-C468 PolarHBondContact O-N 2.8Å; D466-C468 PolarHBondContact O-N 2.83Å; C468-F470 WeakPolarHBondContact O-CD1 3.38Å
469P96.6Very high91.2Very high0 Ų020 Ų200%012%0.115CC..  trans-77.2143.2178.427.5-31.8000112.3F405 C406 N429 L430 F444 F467F405-P469 CarbonylContact C-O 3.46Å; F405-P469 WeakPolarHBondContact CA-O 3.36Å; F405-P469 VanDerWaalsContact CB-O 3.29Å; F405-P469 WeakPolarHBondContact CB-O 3.48Å; F405-P469 WeakPolarHBondContact CD1-O 3.48Å; C406-P469 PolarHBondContact N-O 3.34Å; C406-P469 WeakPolarHBondContact O-CG 3.41Å; N429-P469 WeakPolarHBondContact OD1-CA 3.38Å; L430-P469 HydrophobicContact CB-CB 3.81Å; L430-P469 HydrophobicContact CB-CG 4.44Å; L430-P469 HydrophobicContact CD1-CB 4.24Å; L430-P469 HydrophobicContact CD1-CG 4.15Å; F444-P469 HydrophobicContact CE2-CG 3.97Å; F444-P469 HydrophobicContact CZ-CG 3.46Å; F444-P469 VanDerWaalsContact CZ-CG 3.46Å; F467-P469 WeakPolarHBondContact O-CD 3.18Å
470F95.3Very high90.1Very high2 Ų222.8 Ų22.81%0.00914%0.143CC..BIsolated β-bridgetrans-147165.5-178.960.7-92.4000113.4E335 T344 W375 P404 F405 C406 N429 V462 A465 C468 Q472E335-F470 HydrophobicContact CG-CD2 4.25Å; E335-F470 HydrophobicContact CG-CE2 3.83Å; E335-F470 HydrophobicContact CG-CZ 4.01Å; E335-F470 WeakPolarHBondContact OE1-CE2 3.45Å; T344-F470 HydrophobicContact CG2-CZ 4.01Å; W375-F470 HydrophobicContact CH2-CB 3.42Å; W375-F470 VanDerWaalsContact CH2-CB 3.42Å; W375-F470 HydrophobicContact CH2-CD1 4.2Å; W375-F470 HydrophobicContact CH2-CD2 4.02Å; W375-F470 AromaticContact CH2-CG 3.65Å; W375-F470 HydrophobicContact CH2-CG 3.65Å; W375-F470 HydrophobicContact CZ3-CB 3.92Å; W375-F470 HydrophobicContact CZ3-CD2 4.01Å; W375-F470 HydrophobicContact CZ3-CG 4.09Å; P404-F470 WeakPolarHBondContact O-CB 3.5Å; F405-F470 HydrophobicContact CD1-CB 4.39Å; C406-F470 WeakPolarHBondContact SG-CA 3.35Å; C406-F470 PolarHBondContact SG-N 3.32Å; C406-F470 VanDerWaalsContact SG-N 3.37Å; C406-F470 PolarHBondContact SG-O 3.15Å; C406-F470 VanDerWaalsContact SG-O 3.37Å; N429-F470 PolarHBondContact N-O 3.03Å; N429-F470 VanDerWaalsContact ND2-CE1 3.28Å; N429-F470 WeakPolarHBondContact ND2-CE1 3.4Å; N429-F470 WeakPolarHBondContact ND2-CZ 3.45Å; N429-F470 PolarHBondContact OD1-N 3Å; N429-F470 PolarHBondContact OD1-O 2.87Å; V462-F470 HydrophobicContact CB-CE1 4.15Å; V462-F470 HydrophobicContact CB-CZ 4.41Å; V462-F470 HydrophobicContact CG2-CE1 4.04Å; V462-F470 HydrophobicContact CG2-CZ 3.86Å; A465-F470 HydrophobicContact CB-CE1 4.03Å; C468-F470 WeakPolarHBondContact O-CD1 3.38Å; F470-Q472 HydrophobicContact CD2-CB 4.14Å; F470-Q472 HydrophobicContact CE2-CB 3.92Å; F470-Q472 HydrophobicContact CE2-CG 3.96Å; F470-Q472 PolarHBondContact O-N 2.84Å
471S93.6Very high89.1Confident5 Ų529.5 Ų29.54%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-72.6111175.7-62.10000109.6Q345 P404 T417Q345-S471 PolarHBondContact OE1-O 3.33Å; P404-S471 PolarHBondContact O-N 2.98Å; T417-S471 WeakPolarHBondContact CG2-OG 3.22Å
472Q91.9Very high88.4Confident0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-117.5137.8-171.5-169.6-153-4800111.8H9 A426 V427 N429 F470H9-Q472 PolarHBondContact CE1-NE2 2.84Å; H9-Q472 PolarHBondContact CE1-OE1 3.27Å; H9-Q472 PolarHBondContact NE2-NE2 3.21Å; H9-Q472 VanDerWaalsContact NE2-NE2 3.17Å; H9-Q472 PolarHBondContact NE2-OE1 2.89Å; A426-Q472 CarbonylContact C-O 3.58Å; A426-Q472 VanDerWaalsContact CA-O 3.23Å; A426-Q472 WeakPolarHBondContact CA-O 3.47Å; A426-Q472 WeakPolarHBondContact CB-O 3.47Å; V427-Q472 PolarHBondContact N-O 3.23Å; V427-Q472 PolarHBondContact O-N 2.88Å; N429-Q472 HydrophobicContact CB-CB 4.07Å; N429-Q472 VanDerWaalsContact CB-OE1 3.24Å; N429-Q472 PolarHBondContact ND2-OE1 2.99Å; F470-Q472 HydrophobicContact CD2-CB 4.14Å; F470-Q472 HydrophobicContact CE2-CB 3.92Å; F470-Q472 HydrophobicContact CE2-CG 3.96Å; F470-Q472 PolarHBondContact O-N 2.84Å
473E91.2Very high87.8Confident13 Ų1333.6 Ų33.66%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-57.2151166.8-72.1175.5-125.800113.7Q345 R419 A424Q345-E473 VanDerWaalsContact CB-OE1 3.31Å; Q345-E473 WeakPolarHBondContact CB-OE1 3.44Å; Q345-E473 HydrophobicContact CG-CB 4.11Å; Q345-E473 HydrophobicContact CG-CG 4.08Å; Q345-E473 VanDerWaalsContact OE1-N 3.12Å; R419-E473 WeakPolarHBondContact CD-OE1 3.48Å; R419-E473 IonicContact CZ-OE1 3.02Å; R419-E473 IonicContact NE-OE1 3.02Å; R419-E473 IonicContact NH1-OE1 2.62Å; R419-E473 PolarHBondContact NH1-OE1 3.33Å; A424-E473 HydrophobicContact CB-CG 3.54Å
474F87.6Confident87.4Confident2 Ų229.2 Ų29.21%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-141.5171.3176.466.5-89.1000112.1V4 L416 V425 V427 W476 S486V4-F474 HydrophobicContact CB-CD2 4.11Å; V4-F474 HydrophobicContact CB-CE2 4.31Å; V4-F474 HydrophobicContact CG1-CB 3.83Å; V4-F474 HydrophobicContact CG1-CD1 4.42Å; V4-F474 HydrophobicContact CG1-CD2 3.16Å; V4-F474 HydrophobicContact CG1-CE2 3.68Å; V4-F474 HydrophobicContact CG1-CG 3.57Å; V4-F474 HydrophobicContact CG2-CD2 3.96Å; V4-F474 HydrophobicContact CG2-CE2 3.68Å; L416-F474 HydrophobicContact CD2-CE1 4Å; L416-F474 HydrophobicContact CD2-CZ 3.77Å; V425-F474 HydrophobicContact CG1-CE1 3.95Å; V425-F474 HydrophobicContact CG1-CZ 4.14Å; V427-F474 HydrophobicContact CB-CD1 4.49Å; V427-F474 HydrophobicContact CG1-CD1 3.92Å; V427-F474 HydrophobicContact CG1-CE1 3.8Å; V427-F474 HydrophobicContact CG2-CD1 4.03Å; F474-W476 HydrophobicContact CD2-CD2 4.33Å; F474-W476 HydrophobicContact CD2-CE3 4.48Å; F474-W476 AromaticContact CE2-CD2 3.69Å; F474-W476 HydrophobicContact CE2-CD2 3.69Å; F474-W476 AromaticContact CE2-CE2 3.35Å; F474-W476 HydrophobicContact CE2-CE3 4.05Å; F474-W476 HydrophobicContact CE2-CG 4.35Å; F474-W476 AromaticContact CE2-CH2 3.9Å; F474-W476 HydrophobicContact CE2-CH2 3.9Å; F474-W476 AromaticContact CE2-CZ2 3.44Å; F474-W476 HydrophobicContact CE2-CZ2 3.44Å; F474-W476 VanDerWaalsContact CE2-CZ2 3.44Å; F474-W476 HydrophobicContact CE2-CZ3 4.19Å; F474-W476 AromaticContact CE2-NE1 3.74Å; F474-W476 AromaticContact CZ-CE2 3.88Å; F474-W476 AromaticContact CZ-CH2 3.85Å; F474-W476 HydrophobicContact CZ-CH2 3.85Å; F474-W476 AromaticContact CZ-CZ2 3.47Å; F474-W476 HydrophobicContact CZ-CZ2 3.47Å; F474-W476 VanDerWaalsContact CZ-CZ2 3.47Å; F474-S486 PolarHBondContact N-OG 3.09Å; F474-S486 VanDerWaalsContact O-CB 3.27Å; F474-S486 WeakPolarHBondContact O-CB 3.07Å; F474-S486 PolarHBondContact O-N 3.28Å; F474-S486 VanDerWaalsContact O-N 3.14Å; F474-S486 PolarHBondContact O-OG 3.18Å
475S85.6Confident87Confident20 Ų2030.6 Ų30.614%0.1417%0.172CC..EExtended strand (participates in β ladder)trans-119.6145.6174.3-65.10000110.5Q5 H477 R484Q5-S475 PolarHBondContact N-O 2.79Å; Q5-S475 PolarHBondContact O-N 3.14Å; S475-H477 PolarHBondContact O-CD2 2.86Å; S475-R484 WeakPolarHBondContact CA-O 3.41Å
476W82.5Confident86.8Confident13 Ų1330.5 Ų30.55%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-88.2131.2172.1-73.6-90.5000109.6L2 F474 Q483 R484 N485L2-W476 HydrophobicContact CD2-CB 3.91Å; L2-W476 HydrophobicContact CD2-CG 4.21Å; F474-W476 HydrophobicContact CD2-CD2 4.33Å; F474-W476 HydrophobicContact CD2-CE3 4.48Å; F474-W476 AromaticContact CE2-CD2 3.69Å; F474-W476 HydrophobicContact CE2-CD2 3.69Å; F474-W476 AromaticContact CE2-CE2 3.35Å; F474-W476 HydrophobicContact CE2-CE3 4.05Å; F474-W476 HydrophobicContact CE2-CG 4.35Å; F474-W476 AromaticContact CE2-CH2 3.9Å; F474-W476 HydrophobicContact CE2-CH2 3.9Å; F474-W476 AromaticContact CE2-CZ2 3.44Å; F474-W476 HydrophobicContact CE2-CZ2 3.44Å; F474-W476 VanDerWaalsContact CE2-CZ2 3.44Å; F474-W476 HydrophobicContact CE2-CZ3 4.19Å; F474-W476 AromaticContact CE2-NE1 3.74Å; F474-W476 AromaticContact CZ-CE2 3.88Å; F474-W476 AromaticContact CZ-CH2 3.85Å; F474-W476 HydrophobicContact CZ-CH2 3.85Å; F474-W476 AromaticContact CZ-CZ2 3.47Å; F474-W476 HydrophobicContact CZ-CZ2 3.47Å; F474-W476 VanDerWaalsContact CZ-CZ2 3.47Å; W476-Q483 HydrophobicContact CB-CB 4.42Å; W476-Q483 WeakPolarHBondContact O-CB 3.5Å; W476-Q483 PolarHBondContact O-N 2.97Å; W476-R484 HydrophobicContact CB-CG 4.18Å; W476-R484 HydrophobicContact CD2-CG 4.27Å; W476-R484 HydrophobicContact CE3-CG 3.65Å; W476-R484 HydrophobicContact CZ3-CG 4.27Å; W476-R484 PolarHBondContact N-O 3.02Å; W476-N485 WeakPolarHBondContact CZ3-O 3.48Å
477H81.4Confident86.5Confident30 Ų3032.5 Ų32.514%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-120.6142.9175.3-67.3-108000109.8L2 A3 S475 G480 E481 Y482L2-H477 CarbonylContact C-O 3.6Å; L2-H477 VanDerWaalsContact CA-O 3.3Å; L2-H477 WeakPolarHBondContact CA-O 3.42Å; A3-H477 PolarHBondContact N-O 3.25Å; A3-H477 PolarHBondContact O-N 2.96Å; S475-H477 PolarHBondContact O-CD2 2.86Å; H477-G480 PolarHBondContact ND1-O 3.04Å; H477-E481 CarbonylContact C-O 3.52Å; H477-E481 WeakPolarHBondContact CA-O 3.02Å; H477-Y482 PolarHBondContact ND1-N 3.24Å
478L78.1Confident86.4Confident68 Ų6831.9 Ų31.936%0.35618%0.177SC..EExtended strand (participates in β ladder)trans-120.8118.4173-179.365.7000108.3L2 G480 E481 Q483L2-L478 HydrophobicContact CD1-CD1 4.42Å; L2-L478 HydrophobicContact CG-CD1 4.17Å; L478-G480 PolarHBondContact O-N 2.99Å; L478-E481 PolarHBondContact N-O 3.34Å; L478-E481 PolarHBondContact O-N 2.9Å; L478-Q483 HydrophobicContact CB-CG 3.72Å
479S78.8Confident86.1Confident113 Ų11336.9 Ų36.979%0.7920%0.196SC*.THydrogen-bonded Turntrans54.233.2-176.2-54.60000113.5E481S479-E481 VanDerWaalsContact C-N 3.32Å
480G73.1Confident85.7Confident58 Ų5838.9 Ų38.960%0.59821%0.208SC*.THydrogen-bonded Turntrans90.8-21.1-177.700000114.5H477 L478H477-G480 PolarHBondContact ND1-O 3.04Å; L478-G480 PolarHBondContact O-N 2.99Å
481E74.4Confident85.5Confident142 Ų14241.7 Ų41.766%0.66423%0.228SC*.EExtended strand (participates in β ladder)trans-82.3133.4-178.6-63-171.9162.900111.8H477 L478 S479 Q483H477-E481 CarbonylContact C-O 3.52Å; H477-E481 WeakPolarHBondContact CA-O 3.02Å; L478-E481 PolarHBondContact N-O 3.34Å; L478-E481 PolarHBondContact O-N 2.9Å; S479-E481 VanDerWaalsContact C-N 3.32Å; E481-Q483 PolarHBondContact O-N 3.29Å; E481-Q483 PolarHBondContact O-NE2 2.99Å
482Y78.4Confident85.1Confident81 Ų8147.5 Ų47.532%0.31825%0.254SS..EExtended strand (participates in β ladder)trans-57135.9174.6174.8-93.5000111H477 R484 N485H477-Y482 PolarHBondContact ND1-N 3.24Å; Y482-R484 VanDerWaalsContact CZ-C 3.48Å; Y482-R484 VanDerWaalsContact OH-C 3.31Å; Y482-N485 HydrophobicContact CE2-CB 4.48Å; Y482-N485 WeakPolarHBondContact OH-CB 3.5Å; Y482-N485 PolarHBondContact OH-N 2.84Å; Y482-N485 PolarHBondContact OH-ND2 2.84Å
483Q80.5Confident84.9Confident34 Ų3447.7 Ų47.716%0.15926%0.255CS..EExtended strand (participates in β ladder)trans-113.1-53.9177.2-56.3-66.3-73.200111.1W476 L478 E481 H499W476-Q483 HydrophobicContact CB-CB 4.42Å; W476-Q483 WeakPolarHBondContact O-CB 3.5Å; W476-Q483 PolarHBondContact O-N 2.97Å; L478-Q483 HydrophobicContact CB-CG 3.72Å; E481-Q483 PolarHBondContact O-N 3.29Å; E481-Q483 PolarHBondContact O-NE2 2.99Å; Q483-H499 PolarHBondContact OE1-O 3.26Å
484R84.1Confident84.9Confident13 Ų1349.4 Ų49.45%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-163.4158.6-178.256.8161.1-172176.98111.4S475 W476 Y482 N493 I500 E508 Y510S475-R484 WeakPolarHBondContact CA-O 3.41Å; W476-R484 HydrophobicContact CB-CG 4.18Å; W476-R484 HydrophobicContact CD2-CG 4.27Å; W476-R484 HydrophobicContact CE3-CG 3.65Å; W476-R484 HydrophobicContact CZ3-CG 4.27Å; W476-R484 PolarHBondContact N-O 3.02Å; Y482-R484 VanDerWaalsContact CZ-C 3.48Å; Y482-R484 VanDerWaalsContact OH-C 3.31Å; R484-N493 HydrophobicContact CB-CB 4.25Å; R484-N493 WeakPolarHBondContact CB-OD1 3.17Å; R484-N493 WeakPolarHBondContact CD-O 3.42Å; R484-N493 PolarHBondContact NH1-O 3.48Å; R484-I500 HydrophobicContact CB-CD1 4.42Å; R484-I500 HydrophobicContact CB-CG2 4.09Å; R484-I500 HydrophobicContact CG-CG2 3.72Å; R484-E508 IonicContact NH2-OE2 3.4Å; R484-E508 PolarHBondContact NH2-OE2 3.39Å; R484-Y510 VanDerWaalsContact NH1-CE2 3.26Å; R484-Y510 PolarHBondContact NH1-OH 2.91Å
485N86.3Confident84.8Confident32 Ų3249.6 Ų49.617%0.17127%0.265CS..EExtended strand (participates in β ladder)trans-92.9173.216868.756000110.3W476 Y482 Y487 N493W476-N485 WeakPolarHBondContact CZ3-O 3.48Å; Y482-N485 HydrophobicContact CE2-CB 4.48Å; Y482-N485 WeakPolarHBondContact OH-CB 3.5Å; Y482-N485 PolarHBondContact OH-N 2.84Å; Y482-N485 PolarHBondContact OH-ND2 2.84Å; N485-Y487 VanDerWaalsContact OD1-CB 3.25Å; N485-Y487 WeakPolarHBondContact OD1-CB 3.09Å; N485-Y487 PolarHBondContact OD1-N 3.05Å; N485-N493 PolarHBondContact N-OD1 3.32Å; N485-N493 PolarHBondContact O-ND2 3.4Å; N485-N493 PolarHBondContact OD1-ND2 3.13Å
486S91.4Very high84.4Confident0 Ų050.7 Ų50.70%028%0.28CS..SBendtrans-92.34.9-174.947.50000115.6A424 V425 F474 C488A424-S486 VanDerWaalsContact CA-O 3.32Å; A424-S486 WeakPolarHBondContact CA-O 3.46Å; V425-S486 PolarHBondContact N-O 3.15Å; V425-S486 WeakPolarHBondContact O-CB 3.33Å; V425-S486 PolarHBondContact O-OG 3Å; V425-S486 VanDerWaalsContact O-OG 3.06Å; F474-S486 PolarHBondContact N-OG 3.09Å; F474-S486 VanDerWaalsContact O-CB 3.27Å; F474-S486 WeakPolarHBondContact O-CB 3.07Å; F474-S486 PolarHBondContact O-N 3.28Å; F474-S486 VanDerWaalsContact O-N 3.14Å; F474-S486 PolarHBondContact O-OG 3.18Å; S486-C488 PolarHBondContact O-N 3.05Å
487Y91.5Very high83.9Confident43 Ų4353 Ų5317%0.16930%0.295CS..BIsolated β-bridgetrans-74.8124.9179.1-167.3-115.3000111.5N346 L423 A424 N485 R489 V490 N493 Y510N346-Y487 WeakPolarHBondContact ND2-CD2 3.24Å; L423-Y487 HydrophobicContact CB-CD2 4.3Å; L423-Y487 HydrophobicContact CB-CE2 3.6Å; L423-Y487 HydrophobicContact CD1-CE2 4.38Å; L423-Y487 VanDerWaalsContact O-CD2 3.31Å; L423-Y487 WeakPolarHBondContact O-CD2 3.29Å; A424-Y487 HydrophobicContact CB-CD2 4.18Å; N485-Y487 VanDerWaalsContact OD1-CB 3.25Å; N485-Y487 WeakPolarHBondContact OD1-CB 3.09Å; N485-Y487 PolarHBondContact OD1-N 3.05Å; Y487-R489 VanDerWaalsContact C-N 3.34Å; Y487-R489 HydrophobicContact CD1-CB 4.19Å; Y487-R489 HydrophobicContact CE1-CB 3.64Å; Y487-R489 HydrophobicContact CE1-CG 4.43Å; Y487-R489 PolarHBondContact O-N 3.39Å; Y487-V490 HydrophobicContact CD1-CG2 3.75Å; Y487-V490 HydrophobicContact CE1-CG2 4.41Å; Y487-N493 PolarHBondContact O-ND2 2.9Å; Y487-Y510 WeakPolarHBondContact O-CD1 3.04Å; Y487-Y510 WeakPolarHBondContact O-CE1 3.34Å
488C94Very high82.8Confident0 Ų056.6 Ų56.60%033%0.33CS..THydrogen-bonded Turntrans-73.1-24.5-170.4-66.50000113.7L423 S486 V490 Y510 G511 S514 C516 C541L423-C488 WeakPolarHBondContact O-CB 3.32Å; L423-C488 PolarHBondContact O-N 3.27Å; S486-C488 PolarHBondContact O-N 3.05Å; C488-V490 VanDerWaalsContact C-N 3.35Å; C488-V490 PolarHBondContact O-N 2.74Å; C488-Y510 WeakPolarHBondContact O-CA 3.47Å; C488-G511 PolarHBondContact O-N 3.45Å; C488-S514 WeakPolarHBondContact O-CB 3.47Å; C488-C516 PolarHBondContact SG-N 3.29Å; C488-C541 WeakPolarHBondContact CA-SG 3.47Å; C488-C541 HydrophobicContact CB-CB 3.65Å; C488-C541 WeakPolarHBondContact CB-SG 3.48Å; C488-C541 WeakPolarHBondContact SG-CB 3.45Å; C488-C541 CovalentContact SG-SG 2.04Å; C488-C541 PolarHBondContact SG-SG 3.12Å
489R91.9Very high81.7Confident105 Ų10560.9 Ų60.940%0.39635%0.348SS..THydrogen-bonded Turntrans-86.2-1.2-172.1-63.5-170.6175.7-173.12.9115.8Y487 G511 P512 S514Y487-R489 VanDerWaalsContact C-N 3.34Å; Y487-R489 HydrophobicContact CD1-CB 4.19Å; Y487-R489 HydrophobicContact CE1-CB 3.64Å; Y487-R489 HydrophobicContact CE1-CG 4.43Å; Y487-R489 PolarHBondContact O-N 3.39Å; R489-G511 VanDerWaalsContact CA-O 3.29Å; R489-G511 WeakPolarHBondContact CA-O 3.43Å; R489-G511 CarbonylContact O-C 3.56Å; R489-P512 VanDerWaalsContact CD-O 3.31Å; R489-P512 WeakPolarHBondContact CD-O 3.42Å; R489-P512 WeakPolarHBondContact CG-O 3.37Å; R489-P512 PolarHBondContact NE-O 3.17Å; R489-S514 WeakPolarHBondContact CG-O 3.19Å
490V88.7Confident80.7Confident43 Ų4356.5 Ų56.526%0.26132%0.315SS..  trans-96.8110.4179.3166.40000108.7Y487 C488 E492 N493Y487-V490 HydrophobicContact CD1-CG2 3.75Å; Y487-V490 HydrophobicContact CE1-CG2 4.41Å; C488-V490 VanDerWaalsContact C-N 3.35Å; C488-V490 PolarHBondContact O-N 2.74Å; V490-E492 HydrophobicContact CG1-CB 3.93Å; V490-E492 VanDerWaalsContact CG1-OE2 3.31Å; V490-E492 WeakPolarHBondContact CG1-OE2 3.27Å; V490-E492 PolarHBondContact O-N 3.33Å; V490-N493 WeakPolarHBondContact O-CB 3.47Å; V490-N493 PolarHBondContact O-N 2.89Å
491S90Very high80.1Confident61 Ų6154.9 Ų54.943%0.42730%0.296SS..G310 helixtrans-59.2-31.2-177.6-58.60000112.5N493 Q494S491-N493 PolarHBondContact O-N 3.22Å; S491-N493 VanDerWaalsContact O-N 3.17Å; S491-Q494 WeakPolarHBondContact O-CB 3.35Å; S491-Q494 PolarHBondContact O-N 3.25Å
492E85.4Confident79.7Confident126 Ų12658 Ų5859%0.58931%0.308SS*.G310 helixtrans-63.3-17.7177.8-6571.8-162.900112.5V490 Q494 I500V490-E492 HydrophobicContact CG1-CB 3.93Å; V490-E492 VanDerWaalsContact CG1-OE2 3.31Å; V490-E492 WeakPolarHBondContact CG1-OE2 3.27Å; V490-E492 PolarHBondContact O-N 3.33Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.02Å; E492-I500 WeakPolarHBondContact O-CD1 3.06Å
493N87.8Confident79.7Confident4 Ų457.9 Ų57.92%0.02131%0.307CS..G310 helixtrans-82.12.2177.5-70.4-25.7000113.9R484 N485 Y487 V490 S491 P495 Y510R484-N493 HydrophobicContact CB-CB 4.25Å; R484-N493 WeakPolarHBondContact CB-OD1 3.17Å; R484-N493 WeakPolarHBondContact CD-O 3.42Å; R484-N493 PolarHBondContact NH1-O 3.48Å; N485-N493 PolarHBondContact N-OD1 3.32Å; N485-N493 PolarHBondContact O-ND2 3.4Å; N485-N493 PolarHBondContact OD1-ND2 3.13Å; Y487-N493 PolarHBondContact O-ND2 2.9Å; V490-N493 WeakPolarHBondContact O-CB 3.47Å; V490-N493 PolarHBondContact O-N 2.89Å; S491-N493 PolarHBondContact O-N 3.22Å; S491-N493 VanDerWaalsContact O-N 3.17Å; N493-P495 WeakPolarHBondContact O-CD 3.29Å; N493-Y510 HydrophobicContact CB-CD1 3.35Å; N493-Y510 HydrophobicContact CB-CE1 3.6Å; N493-Y510 HydrophobicContact CB-CG 3.98Å
494Q90.8Very high80.1Confident50 Ų5057 Ų5723%0.23430%0.303CS..  trans-58.9119.7-175.9-177.962.344.800112.4S491 E492 N504 E508S491-Q494 WeakPolarHBondContact O-CB 3.35Å; S491-Q494 PolarHBondContact O-N 3.25Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.02Å; Q494-N504 PolarHBondContact NE2-ND2 3.18Å; Q494-E508 PolarHBondContact NE2-O 3.46Å
495P87Confident80.2Confident6 Ų659.4 Ų59.44%0.03931%0.312CS..SBendtrans-78.1156.6177.626.6-25.4000112.2N493 N504 E508 Y510N493-P495 WeakPolarHBondContact O-CD 3.29Å; P495-N504 HydrophobicContact CB-CB 4.36Å; P495-N504 HydrophobicContact CG-CB 4.25Å; P495-E508 HydrophobicContact CG-CB 4.17Å; P495-Y510 HydrophobicContact CG-CE2 4.27Å
496G76.2Confident80.4Confident43 Ų4358.3 Ų58.344%0.44331%0.309SS..SBendtrans89.414.4-18000000114.1I500 A501G496-I500 PolarHBondContact N-O 3.41Å; G496-A501 VanDerWaalsContact CA-O 3.26Å; G496-A501 WeakPolarHBondContact CA-O 3.44Å; G496-A501 PolarHBondContact N-O 2.83Å; G496-A501 VanDerWaalsContact N-O 3.17Å
497T71.3Confident80.4Confident61 Ų6158.3 Ų58.337%0.37431%0.309SS..SBendtrans-93.1166.1172.965.40000110.4H499 I500T497-H499 PolarHBondContact O-N 3.44Å; T497-H499 VanDerWaalsContact O-N 3.08Å; T497-I500 PolarHBondContact N-O 3.14Å; T497-I500 PolarHBondContact O-N 3.46Å; T497-I500 PolarHBondContact OG1-N 3.32Å
498A58.1Low80.5Confident105 Ų10557.3 Ų57.387%0.86831%0.306SS*.SBendtrans-57.9-24.117800000113.2
499H55.5Low80.5Confident159 Ų15960.2 Ų60.274%0.73632%0.319SS*.SBendtrans-103.7-18.9-174.8-61.3-72.9000114.3Q483 T497Q483-H499 PolarHBondContact OE1-O 3.26Å; T497-H499 PolarHBondContact O-N 3.44Å; T497-H499 VanDerWaalsContact O-N 3.08Å
500I58.6Low80.6Confident21 Ų2155.8 Ų55.811%0.10830%0.303CS..SBendtrans-136.899.1-170.5-59.6173.3000109.9R484 E492 G496 T497R484-I500 HydrophobicContact CB-CD1 4.42Å; R484-I500 HydrophobicContact CB-CG2 4.09Å; R484-I500 HydrophobicContact CG-CG2 3.72Å; E492-I500 WeakPolarHBondContact O-CD1 3.06Å; G496-I500 PolarHBondContact N-O 3.41Å; T497-I500 PolarHBondContact N-O 3.14Å; T497-I500 PolarHBondContact O-N 3.46Å; T497-I500 PolarHBondContact OG1-N 3.32Å
501A60.1Low80.9Confident24 Ų2454 Ų5420%0.19829%0.293CS..  trans52.8126.6-178.500000114.6G496 R503G496-A501 VanDerWaalsContact CA-O 3.26Å; G496-A501 WeakPolarHBondContact CA-O 3.44Å; G496-A501 PolarHBondContact N-O 2.83Å; G496-A501 VanDerWaalsContact N-O 3.17Å; A501-R503 PolarHBondContact O-N 3.26Å
502K66.4Low81Confident208 Ų20855 Ų5590%0.90430%0.298SS*.SBendtrans-58.2-17-176.5-67.2-175179.7-179.10114.6
503R78.7Confident81.4Confident78 Ų7853.2 Ų53.229%0.29429%0.292SS..  trans-149.1147.8-174.7-60.9-173.9179.8-127.6-6.9112A501 Y505 M525 M532 W578A501-R503 PolarHBondContact O-N 3.26Å; R503-Y505 HydrophobicContact CB-CD2 4.35Å; R503-Y505 HydrophobicContact CB-CE1 4.18Å; R503-Y505 HydrophobicContact CB-CE2 3.94Å; R503-M525 VanDerWaalsContact NH1-CE 3.31Å; R503-M532 PolarHBondContact NH1-SD 3.05Å; R503-W578 VanDerWaalsContact NH1-CH2 3.29Å
504N87.7Confident81.8Confident16 Ų1653.1 Ų53.19%0.08629%0.292CS..  trans-101.577.5174.3179.93.1000110.3Q494 P495 G506 A507 E508 Y580Q494-N504 PolarHBondContact NE2-ND2 3.18Å; P495-N504 HydrophobicContact CB-CB 4.36Å; P495-N504 HydrophobicContact CG-CB 4.25Å; N504-G506 VanDerWaalsContact C-N 3.27Å; N504-G506 PolarHBondContact O-N 3.41Å; N504-A507 PolarHBondContact O-N 3.04Å; N504-A507 PolarHBondContact OD1-N 2.91Å; N504-E508 PolarHBondContact ND2-N 2.93Å; N504-E508 PolarHBondContact ND2-O 2.84Å; N504-E508 PolarHBondContact OD1-N 2.87Å; N504-Y580 WeakPolarHBondContact O-CE1 3.35Å
505Y87.1Confident82.1Confident62 Ų6250.8 Ų50.824%0.24328%0.281CS..THydrogen-bonded Turntrans-60.7-32.4-171.8-62.3-82.6000114.4R503 F523 M532 Y534R503-Y505 HydrophobicContact CB-CD2 4.35Å; R503-Y505 HydrophobicContact CB-CE1 4.18Å; R503-Y505 HydrophobicContact CB-CE2 3.94Å; Y505-F523 WeakPolarHBondContact O-CB 3.44Å; Y505-M532 HydrophobicContact CE1-CB 4.34Å; Y505-M532 HydrophobicContact CE1-CE 3.97Å; Y505-Y534 AromaticContact CD2-CD2 3.58Å; Y505-Y534 HydrophobicContact CD2-CD2 3.58Å; Y505-Y534 HydrophobicContact CD2-CE2 4.42Å; Y505-Y534 AromaticContact CD2-CG 3.85Å; Y505-Y534 HydrophobicContact CD2-CG 3.85Å; Y505-Y534 AromaticContact CE2-CD2 3.64Å; Y505-Y534 HydrophobicContact CE2-CD2 3.64Å; Y505-Y534 HydrophobicContact CE2-CE2 4.24Å; Y505-Y534 HydrophobicContact CE2-CG 4.37Å; Y505-Y534 HydrophobicContact CG-CD2 4.22Å; Y505-Y534 HydrophobicContact CG-CG 4.19Å
506G89.9Confident82.5Confident9 Ų950.5 Ų50.59%0.09328%0.279CS..THydrogen-bonded Turntrans-88.13.7-17700000115.1N504 E508 F523 Y542N504-G506 VanDerWaalsContact C-N 3.27Å; N504-G506 PolarHBondContact O-N 3.41Å; G506-E508 PolarHBondContact O-N 3.49Å; G506-F523 WeakPolarHBondContact O-CD1 3.35Å; G506-Y542 WeakPolarHBondContact O-CE1 3.3Å; G506-Y542 PolarHBondContact O-OH 3.29Å
507A91.9Very high83.5Confident0 Ų048.5 Ų48.50%026%0.258CS..  trans5133.4-16700000112.8N504 F523 V555 Y580N504-A507 PolarHBondContact O-N 3.04Å; N504-A507 PolarHBondContact OD1-N 2.91Å; A507-F523 HydrophobicContact CB-CD1 4.49Å; A507-F523 HydrophobicContact CB-CE1 4.37Å; A507-V555 HydrophobicContact CB-CG1 3.81Å; A507-Y580 HydrophobicContact CB-CD1 3.81Å; A507-Y580 HydrophobicContact CB-CE1 4.31Å; A507-Y580 HydrophobicContact CB-CG 3.92Å
508E93.8Very high84.7Confident22 Ų2249.2 Ų49.210%0.10326%0.255CS..  trans-65.9148.3-174.6-57-17487.800111.6R484 Q494 P495 N504 G506 Y510 G540 C541R484-E508 IonicContact NH2-OE2 3.4Å; R484-E508 PolarHBondContact NH2-OE2 3.39Å; Q494-E508 PolarHBondContact NE2-O 3.46Å; P495-E508 HydrophobicContact CG-CB 4.17Å; N504-E508 PolarHBondContact ND2-N 2.93Å; N504-E508 PolarHBondContact ND2-O 2.84Å; N504-E508 PolarHBondContact OD1-N 2.87Å; G506-E508 PolarHBondContact O-N 3.49Å; E508-Y510 HydrophobicContact CB-CD2 4.4Å; E508-Y510 HydrophobicContact CB-CE2 4.06Å; E508-G540 VanDerWaalsContact OE1-CA 3.32Å; E508-G540 WeakPolarHBondContact OE1-CA 3.45Å; E508-C541 CarbonylContact C-O 3.59Å; E508-C541 VanDerWaalsContact CA-O 3.24Å; E508-C541 WeakPolarHBondContact CA-O 3.34Å; E508-C541 WeakPolarHBondContact CB-O 3.4Å; E508-C541 PolarHBondContact OE1-N 2.81Å
509Q94.6Very high86.4Confident62 Ų6245.1 Ų45.129%0.2922%0.218SC..  trans-129.5124171.8-172.1169.817.900109.1S514 C541 K543Q509-S514 VanDerWaalsContact O-CB 3.25Å; Q509-S514 WeakPolarHBondContact O-CB 3.47Å; Q509-S514 PolarHBondContact O-OG 3.04Å; Q509-S514 VanDerWaalsContact O-OG 3.08Å; Q509-C541 PolarHBondContact N-O 3.33Å; Q509-C541 CarbonylContact O-C 3.48Å; Q509-K543 HydrophobicContact CG-CB 4.38Å
510Y93.8Very high88.3Confident12 Ų1242.9 Ų42.95%0.04721%0.206CC..  trans-105.5149.2175.3-76-108.4000110R484 Y487 C488 N493 P495 E508 C541R484-Y510 VanDerWaalsContact NH1-CE2 3.26Å; R484-Y510 PolarHBondContact NH1-OH 2.91Å; Y487-Y510 WeakPolarHBondContact O-CD1 3.04Å; Y487-Y510 WeakPolarHBondContact O-CE1 3.34Å; C488-Y510 WeakPolarHBondContact O-CA 3.47Å; N493-Y510 HydrophobicContact CB-CD1 3.35Å; N493-Y510 HydrophobicContact CB-CE1 3.6Å; N493-Y510 HydrophobicContact CB-CG 3.98Å; P495-Y510 HydrophobicContact CG-CE2 4.27Å; E508-Y510 HydrophobicContact CB-CD2 4.4Å; E508-Y510 HydrophobicContact CB-CE2 4.06Å; Y510-C541 HydrophobicContact CD1-CB 4.27Å; Y510-C541 HydrophobicContact CD2-CB 3.94Å; Y510-C541 HydrophobicContact CE1-CB 4.08Å; Y510-C541 WeakPolarHBondContact CE1-SG 3.4Å; Y510-C541 HydrophobicContact CE2-CB 3.69Å; Y510-C541 HydrophobicContact CG-CB 4.23Å; Y510-C541 PolarHBondContact OH-SG 3.39Å
511G93.2Very high89.8Confident5 Ų543.9 Ų43.95%0.05222%0.215CC..SBendtrans146174.3-179.400000112C488 R489 D513 S514C488-G511 PolarHBondContact O-N 3.45Å; R489-G511 VanDerWaalsContact CA-O 3.29Å; R489-G511 WeakPolarHBondContact CA-O 3.43Å; R489-G511 CarbonylContact O-C 3.56Å; G511-D513 PolarHBondContact O-N 2.86Å; G511-S514 PolarHBondContact N-OG 3.34Å; G511-S514 VanDerWaalsContact O-CB 3.24Å; G511-S514 WeakPolarHBondContact O-CB 3.14Å; G511-S514 PolarHBondContact O-N 3.41Å; G511-S514 PolarHBondContact O-OG 3Å; G511-S514 VanDerWaalsContact O-OG 3.1Å
512P92.8Very high91.3Very high82 Ų8243.6 Ų43.653%0.53221%0.213SC..THydrogen-bonded Turntrans-54.4-32.5-164.919.6-33.1000114.7R489R489-P512 VanDerWaalsContact CD-O 3.31Å; R489-P512 WeakPolarHBondContact CD-O 3.42Å; R489-P512 WeakPolarHBondContact CG-O 3.37Å; R489-P512 PolarHBondContact NE-O 3.17Å
513D94.4Very high92.5Very high88 Ų8834 Ų3447%0.47117%0.171SC..THydrogen-bonded Turntrans-9616-179.2-50.5-44.5000113.5G511 K543 V544G511-D513 PolarHBondContact O-N 2.86Å; D513-K543 HydrophobicContact CB-CG 4.22Å; D513-V544 WeakPolarHBondContact O-CG2 3.29Å; D513-V544 PolarHBondContact O-N 2.99Å
514S96.3Very high93.1Very high3 Ų331.7 Ų31.72%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-100.3142.5-176-48.40000112.4C488 R489 Q509 G511 Y542C488-S514 WeakPolarHBondContact O-CB 3.47Å; R489-S514 WeakPolarHBondContact CG-O 3.19Å; Q509-S514 VanDerWaalsContact O-CB 3.25Å; Q509-S514 WeakPolarHBondContact O-CB 3.47Å; Q509-S514 PolarHBondContact O-OG 3.04Å; Q509-S514 VanDerWaalsContact O-OG 3.08Å; G511-S514 PolarHBondContact N-OG 3.34Å; G511-S514 VanDerWaalsContact O-CB 3.24Å; G511-S514 WeakPolarHBondContact O-CB 3.14Å; G511-S514 PolarHBondContact O-N 3.41Å; G511-S514 PolarHBondContact O-OG 3Å; G511-S514 VanDerWaalsContact O-OG 3.1Å; S514-Y542 CarbonylContact C-O 3.5Å; S514-Y542 VanDerWaalsContact CA-O 3.29Å; S514-Y542 WeakPolarHBondContact CA-O 3.45Å
515V96.1Very high93.3Very high1 Ų131.1 Ų31.11%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-133.8157.4-179.3-58.30000110.1Q422 L423 L517 C541 Y542 V544 F592Q422-V515 CarbonylContact O-C 3.48Å; Q422-V515 WeakPolarHBondContact O-CA 3.35Å; Q422-V515 WeakPolarHBondContact O-CB 3.29Å; L423-V515 HydrophobicContact CD2-CG1 4.44Å; V515-L517 HydrophobicContact CG2-CD2 3.88Å; V515-L517 HydrophobicContact CG2-CG 4.27Å; V515-C541 WeakPolarHBondContact O-CA 3.41Å; V515-Y542 PolarHBondContact N-O 2.89Å; V515-Y542 PolarHBondContact O-N 3.15Å; V515-V544 HydrophobicContact CG1-CG2 3.92Å; V515-V544 HydrophobicContact CG2-CB 4.45Å; V515-V544 HydrophobicContact CG2-CG1 3.57Å; V515-V544 HydrophobicContact CG2-CG2 3.99Å; V515-F592 HydrophobicContact CB-CE1 3.97Å; V515-F592 HydrophobicContact CB-CZ 4.19Å; V515-F592 HydrophobicContact CG1-CD1 3.85Å; V515-F592 HydrophobicContact CG1-CE1 3.5Å; V515-F592 VanDerWaalsContact CG1-CE1 3.5Å; V515-F592 HydrophobicContact CG1-CZ 4.18Å; V515-F592 HydrophobicContact CG2-CE1 4.41Å; V515-F592 HydrophobicContact CG2-CZ 4.3Å
516C96.7Very high93.4Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-78.6122.6174.7-177.90000110.3C418 Q422 A424 C488 G540C418-C516 WeakPolarHBondContact CA-SG 3.36Å; C418-C516 HydrophobicContact CB-CB 3.72Å; C418-C516 WeakPolarHBondContact CB-SG 3.36Å; C418-C516 WeakPolarHBondContact SG-CB 3.31Å; C418-C516 PolarHBondContact SG-O 3.31Å; C418-C516 CovalentContact SG-SG 2.05Å; C418-C516 PolarHBondContact SG-SG 3.44Å; Q422-C516 PolarHBondContact NE2-O 2.71Å; Q422-C516 PolarHBondContact O-N 3.32Å; A424-C516 WeakPolarHBondContact O-CB 3.08Å; A424-C516 PolarHBondContact O-SG 3.08Å; A424-C516 VanDerWaalsContact O-SG 3.41Å; C488-C516 PolarHBondContact SG-N 3.29Å; C516-G540 WeakPolarHBondContact CA-O 3.32Å
517L96.7Very high93.4Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-115.5142.6174.8-58-177.6000110.7V515 S539 G540 Y542 V553 L584 P587V515-L517 HydrophobicContact CG2-CD2 3.88Å; V515-L517 HydrophobicContact CG2-CG 4.27Å; L517-S539 CarbonylContact O-C 3.57Å; L517-S539 WeakPolarHBondContact O-CA 3Å; L517-S539 VanDerWaalsContact O-CB 3.29Å; L517-S539 WeakPolarHBondContact O-CB 3.37Å; L517-G540 PolarHBondContact N-O 2.98Å; L517-G540 PolarHBondContact O-N 3.29Å; L517-Y542 HydrophobicContact CB-CD2 3.82Å; L517-Y542 HydrophobicContact CB-CE2 4.32Å; L517-Y542 HydrophobicContact CD1-CD2 3.94Å; L517-Y542 HydrophobicContact CD1-CG 4.19Å; L517-Y542 HydrophobicContact CG-CD2 4.01Å; L517-V553 HydrophobicContact CD1-CB 4.33Å; L517-V553 HydrophobicContact CD1-CG1 3.53Å; L517-V553 HydrophobicContact CD1-CG2 3.77Å; L517-L584 HydrophobicContact CD1-CD1 4.41Å; L517-P587 HydrophobicContact CD2-CG 3.89Å
518Y95.6Very high93Very high77 Ų7735.2 Ų35.230%0.30219%0.189SC..EExtended strand (participates in β ladder)trans-71139173.6-70.6-78.9000111.4T417 C418 G538 L585T417-Y518 WeakPolarHBondContact OG1-CE1 3.06Å; T417-Y518 PolarHBondContact OG1-OH 2.9Å; T417-Y518 VanDerWaalsContact OG1-OH 3.13Å; C418-Y518 HydrophobicContact CB-CE1 4.49Å; C418-Y518 HydrophobicContact CB-CE2 4.18Å; Y518-G538 WeakPolarHBondContact CA-O 3.4Å; Y518-L585 PolarHBondContact O-N 2.03Å
519Q95.3Very high92.6Very high18 Ų1840.3 Ų40.38%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-102.9122.8174.7-66.2166.2-10.100108.6F523 W537 G538 S539 Y542 V583 L584Q519-F523 HydrophobicContact CG-CD2 4.21Å; Q519-F523 HydrophobicContact CG-CE2 4.11Å; Q519-W537 HydrophobicContact CB-CE3 4.41Å; Q519-G538 PolarHBondContact N-O 2.04Å; Q519-S539 PolarHBondContact NE2-O 2.85Å; Q519-Y542 PolarHBondContact NE2-OH 3.46Å; Q519-V583 CarbonylContact C-O 3.53Å; Q519-V583 WeakPolarHBondContact CA-O 3.29Å; Q519-L584 HydrophobicContact CG-CD2 3.76Å
520K93.9Very high92.2Very high112 Ų11244.5 Ų44.549%0.48724%0.235SC..EExtended strand (participates in β ladder)trans-78.9-23.9176.1-175.2175.2177.5-176.70112.4Q568 V583 L585K520-Q568 HydrophobicContact CD-CG 3.98Å; K520-V583 HydrophobicContact CB-CB 4.11Å; K520-V583 HydrophobicContact CB-CG1 3.92Å; K520-V583 HydrophobicContact CD-CG1 4.36Å; K520-V583 PolarHBondContact N-O 2.87Å; K520-L585 HydrophobicContact CB-CD2 4.15Å; K520-L585 HydrophobicContact CB-CG 4.32Å; K520-L585 HydrophobicContact CD-CD2 4.36Å
521S90.8Very high92Very high42 Ų4251 Ų5129%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-137150.9174.865.40000109.6F523 V583S521-F523 PolarHBondContact O-N 3.48Å; S521-V583 PolarHBondContact OG-N 3.09Å
522A90.8Very high91.7Very high19 Ų1953.5 Ų53.516%0.15727%0.274CS..EExtended strand (participates in β ladder)trans-55.5136.1169.100000110.1T533 W537A522-T533 HydrophobicContact CB-CG2 3.45Å; A522-T533 VanDerWaalsContact CB-CG2 3.45Å; A522-W537 HydrophobicContact CB-CB 4.3Å; A522-W537 HydrophobicContact CB-CD2 3.69Å; A522-W537 HydrophobicContact CB-CE3 4.36Å; A522-W537 HydrophobicContact CB-CG 3.59Å
523F92.3Very high91.4Very high6 Ų652.9 Ų52.93%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-69.2136.6172.6-93.4-117.1000110Y505 G506 A507 Q519 S521 T533 V571 N581 L584Y505-F523 WeakPolarHBondContact O-CB 3.44Å; G506-F523 WeakPolarHBondContact O-CD1 3.35Å; A507-F523 HydrophobicContact CB-CD1 4.49Å; A507-F523 HydrophobicContact CB-CE1 4.37Å; Q519-F523 HydrophobicContact CG-CD2 4.21Å; Q519-F523 HydrophobicContact CG-CE2 4.11Å; S521-F523 PolarHBondContact O-N 3.48Å; F523-T533 PolarHBondContact O-OG1 2.85Å; F523-V571 HydrophobicContact CE1-CB 4.39Å; F523-V571 HydrophobicContact CE1-CG1 4.11Å; F523-V571 HydrophobicContact CZ-CB 4.25Å; F523-V571 HydrophobicContact CZ-CG1 4.36Å; F523-V571 HydrophobicContact CZ-CG2 4.35Å; F523-N581 CarbonylContact C-O 3.59Å; F523-N581 WeakPolarHBondContact CA-O 3.03Å; F523-L584 HydrophobicContact CE2-CD2 3.65Å; F523-L584 HydrophobicContact CE2-CG 4.06Å; F523-L584 HydrophobicContact CZ-CD1 4.31Å; F523-L584 HydrophobicContact CZ-CD2 3.93Å; F523-L584 HydrophobicContact CZ-CG 3.93Å
524V92.4Very high90.8Very high29 Ų2951.4 Ų51.418%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-111.7121.1178.6177.10000107.6K531 Y580 N581V524-K531 HydrophobicContact CG1-CD 4.07Å; V524-K531 HydrophobicContact CG1-CG 3.64Å; V524-Y580 CarbonylContact O-C 3.45Å; V524-Y580 WeakPolarHBondContact O-CA 3.37Å; V524-N581 PolarHBondContact N-O 3.35Å; V524-N581 PolarHBondContact O-N 2.97Å
525M90Very high90.2Very high4 Ų455 Ų552%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-103.5117.4173.2-168.7-17165.400108.8R503 M532 W578 V579 Y580R503-M525 VanDerWaalsContact NH1-CE 3.31Å; M525-M532 HydrophobicContact CE-CB 4.29Å; M525-M532 HydrophobicContact CE-SD 3.89Å; M525-M532 PolarHBondContact N-O 2.95Å; M525-M532 PolarHBondContact O-N 3.02Å; M525-W578 HydrophobicContact CB-CE3 4.41Å; M525-W578 HydrophobicContact CE-CD2 3.76Å; M525-W578 HydrophobicContact CE-CE3 3.61Å; M525-W578 HydrophobicContact CE-CH2 3.99Å; M525-W578 HydrophobicContact CE-CZ2 4.15Å; M525-W578 HydrophobicContact CE-CZ3 3.72Å; M525-W578 HydrophobicContact CG-CB 3.91Å; M525-W578 HydrophobicContact CG-CD2 3.87Å; M525-W578 HydrophobicContact CG-CE3 3.53Å; M525-W578 HydrophobicContact CG-CG 4.07Å; M525-W578 HydrophobicContact CG-CZ3 4.35Å; M525-W578 HydrophobicContact SD-CB 4.31Å; M525-W578 HydrophobicContact SD-CD2 3.87Å; M525-W578 HydrophobicContact SD-CE3 4Å; M525-W578 HydrophobicContact SD-CG 4.03Å; M525-V579 CarbonylContact C-O 3.42Å; M525-V579 WeakPolarHBondContact CA-O 3.08Å; M525-Y580 HydrophobicContact CB-CD1 4.01Å; M525-Y580 HydrophobicContact CB-CE1 3.87Å; M525-Y580 HydrophobicContact CG-CD1 3.86Å; M525-Y580 HydrophobicContact CG-CD2 4.48Å; M525-Y580 HydrophobicContact CG-CE1 3.41Å; M525-Y580 VanDerWaalsContact CG-CE1 3.41Å; M525-Y580 HydrophobicContact CG-CE2 4.07Å; M525-Y580 HydrophobicContact CG-CG 4.39Å; M525-Y580 HydrophobicContact SD-CE1 3.56Å; M525-Y580 VanDerWaalsContact SD-CE1 3.56Å; M525-Y580 HydrophobicContact SD-CE2 4.36Å; M525-Y580 PolarHBondContact SD-OH 3.42Å
526E90.6Very high89.9Confident36 Ų3655.9 Ų55.917%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-129.2143.3-172.465.1-172-171.200114R530 K531 W578 V579 N581 P615E526-R530 CarbonylContact C-O 3.56Å; E526-R530 VanDerWaalsContact CA-O 3.32Å; E526-R530 WeakPolarHBondContact CA-O 3.48Å; E526-K531 HydrophobicContact CB-CG 4.35Å; E526-W578 VanDerWaalsContact C-CE3 3.48Å; E526-W578 WeakPolarHBondContact O-CA 3.27Å; E526-V579 HydrophobicContact CG-CB 3.94Å; E526-V579 PolarHBondContact N-O 2.65Å; E526-V579 PolarHBondContact O-N 3.38Å; E526-N581 PolarHBondContact OE1-ND2 3.01Å; E526-P615 HydrophobicContact CG-CB 4.39Å; E526-P615 HydrophobicContact CG-CG 4.07Å
527Q88.6Confident89.6Confident45 Ų4560.5 Ų60.521%0.2130%0.302CS..EExtended strand (participates in β ladder)trans-120.3164.7166.6-90.7176.7-15.900106.7T529 R530 D577 W578Q527-T529 PolarHBondContact O-N 2.86Å; Q527-R530 HydrophobicContact CB-CB 4.27Å; Q527-R530 PolarHBondContact N-O 2.03Å; Q527-R530 PolarHBondContact O-N 2.89Å; Q527-R530 VanDerWaalsContact O-N 3.12Å; Q527-D577 WeakPolarHBondContact CG-O 3.44Å; Q527-W578 HydrophobicContact CB-CE3 4.06Å; Q527-W578 HydrophobicContact CB-CH2 4.24Å; Q527-W578 HydrophobicContact CB-CZ3 3.92Å; Q527-W578 HydrophobicContact CG-CD2 3.58Å; Q527-W578 HydrophobicContact CG-CE3 3.56Å; Q527-W578 HydrophobicContact CG-CG 4.16Å; Q527-W578 HydrophobicContact CG-CH2 3.98Å; Q527-W578 HydrophobicContact CG-CZ2 3.96Å; Q527-W578 HydrophobicContact CG-CZ3 3.78Å; Q527-W578 VanDerWaalsContact NE2-CE2 3.26Å; Q527-W578 VanDerWaalsContact NE2-NE1 3.2Å; Q527-W578 VanDerWaalsContact OE1-CH2 3.27Å
528C84.8Confident89.5Confident77 Ų7760.9 Ų60.952%0.5231%0.307SS..THydrogen-bonded Turntrans-53.2-30.8-178.4-170.30000113.8C616C528-C616 WeakPolarHBondContact CA-SG 3.44Å; C528-C616 HydrophobicContact CB-CB 4.04Å; C528-C616 WeakPolarHBondContact CB-SG 3.49Å; C528-C616 WeakPolarHBondContact SG-CB 3.43Å; C528-C616 CovalentContact SG-SG 2.05Å; C528-C616 PolarHBondContact SG-SG 2.87Å
529T84.1Confident89.5Confident128 Ų12857.3 Ų57.379%0.78529%0.293SS*.THydrogen-bonded Turntrans-112.3-3.1-179.757.80000114.8Q527Q527-T529 PolarHBondContact O-N 2.86Å
530R87.1Confident89.5Confident151 Ų15156.5 Ų56.557%0.5729%0.289SS*.EExtended strand (participates in β ladder)trans-141134.2-171.5-69-177.3173178.7-2.7111.3E526 Q527 W578E526-R530 CarbonylContact C-O 3.56Å; E526-R530 VanDerWaalsContact CA-O 3.32Å; E526-R530 WeakPolarHBondContact CA-O 3.48Å; Q527-R530 HydrophobicContact CB-CB 4.27Å; Q527-R530 PolarHBondContact N-O 2.03Å; Q527-R530 PolarHBondContact O-N 2.89Å; Q527-R530 VanDerWaalsContact O-N 3.12Å; R530-W578 HydrophobicContact CB-CH2 3.93Å; R530-W578 HydrophobicContact CB-CZ3 4.19Å
531K89.3Confident89.6Confident149 Ų14951.1 Ų51.165%0.64827%0.266SS*.EExtended strand (participates in β ladder)trans-128.4132175.5-167.5176.1-168.7175.50109.3V524 E526V524-K531 HydrophobicContact CG1-CD 4.07Å; V524-K531 HydrophobicContact CG1-CG 3.64Å; E526-K531 HydrophobicContact CB-CG 4.35Å
532M86.8Confident89.9Confident57 Ų5749.1 Ų49.128%0.28125%0.252SS..EExtended strand (participates in β ladder)trans-136.5143.6-176.8-60.6-176.378.800110.7R503 Y505 M525 W578R503-M532 PolarHBondContact NH1-SD 3.05Å; Y505-M532 HydrophobicContact CE1-CB 4.34Å; Y505-M532 HydrophobicContact CE1-CE 3.97Å; M525-M532 HydrophobicContact CE-CB 4.29Å; M525-M532 HydrophobicContact CE-SD 3.89Å; M525-M532 PolarHBondContact N-O 2.95Å; M525-M532 PolarHBondContact O-N 3.02Å; M532-W578 HydrophobicContact SD-CH2 4.14Å
533T86.3Confident90.2Very high68 Ų6851.7 Ų51.742%0.41726%0.259SS..EExtended strand (participates in β ladder)trans-139.7146.4174.7-65.90000108A522 F523A522-T533 HydrophobicContact CB-CG2 3.45Å; A522-T533 VanDerWaalsContact CB-CG2 3.45Å; F523-T533 PolarHBondContact O-OG1 2.85Å
534Y83.3Confident90.4Very high58 Ų5852.1 Ų52.123%0.22726%0.262CS..  trans-90.9131.1174.7-162.4-120.6000109.5Y505 D536Y505-Y534 AromaticContact CD2-CD2 3.58Å; Y505-Y534 HydrophobicContact CD2-CD2 3.58Å; Y505-Y534 HydrophobicContact CD2-CE2 4.42Å; Y505-Y534 AromaticContact CD2-CG 3.85Å; Y505-Y534 HydrophobicContact CD2-CG 3.85Å; Y505-Y534 AromaticContact CE2-CD2 3.64Å; Y505-Y534 HydrophobicContact CE2-CD2 3.64Å; Y505-Y534 HydrophobicContact CE2-CE2 4.24Å; Y505-Y534 HydrophobicContact CE2-CG 4.37Å; Y505-Y534 HydrophobicContact CG-CD2 4.22Å; Y505-Y534 HydrophobicContact CG-CG 4.19Å; Y534-D536 VanDerWaalsContact C-N 3.33Å; Y534-D536 HydrophobicContact CD1-CB 4.02Å; Y534-D536 WeakPolarHBondContact CD1-O 3.46Å; Y534-D536 HydrophobicContact CE1-CB 3.57Å; Y534-D536 WeakPolarHBondContact CE1-OD2 3.5Å; Y534-D536 PolarHBondContact O-N 3.43Å; Y534-D536 PolarHBondContact OH-OD2 3.19Å
535P83.8Confident90.5Very high78 Ų7852.8 Ų52.851%0.50627%0.269SS..SBendtrans-71.3-30.2-173.829.9-36.2000112.3P413 W537P413-P535 HydrophobicContact CB-CB 3.97Å; P413-P535 WeakPolarHBondContact CB-O 3.27Å; P535-W537 VanDerWaalsContact O-CD1 3.27Å; P535-W537 PolarHBondContact O-N 3.39Å
536D88.3Confident90.6Very high19 Ų1955.8 Ų55.810%0.10229%0.289CS..SBendtrans-88.2104.5175-45.6-47.5000109.5P413 L414 L416 Y534P413-D536 WeakPolarHBondContact CA-OD1 3.38Å; L414-D536 HydrophobicContact CB-CB 3.98Å; L414-D536 PolarHBondContact N-OD1 3.39Å; L414-D536 VanDerWaalsContact O-CA 3.32Å; L414-D536 WeakPolarHBondContact O-CA 3.2Å; L416-D536 HydrophobicContact CD1-CB 4.48Å; L416-D536 WeakPolarHBondContact CD1-O 3.13Å; L416-D536 HydrophobicContact CG-CB 4.46Å; Y534-D536 VanDerWaalsContact C-N 3.33Å; Y534-D536 HydrophobicContact CD1-CB 4.02Å; Y534-D536 WeakPolarHBondContact CD1-O 3.46Å; Y534-D536 HydrophobicContact CE1-CB 3.57Å; Y534-D536 WeakPolarHBondContact CE1-OD2 3.5Å; Y534-D536 PolarHBondContact O-N 3.43Å; Y534-D536 PolarHBondContact OH-OD2 3.19Å
537W91.4Very high90.4Very high97 Ų9755.9 Ų55.937%0.36729%0.293SS..BIsolated β-bridgetrans-145.2174.8-177.366.6-86.8000110.9L414 L416 Q519 A522 P535L414-W537 PolarHBondContact O-N 2.77Å; L416-W537 PolarHBondContact N-O 3.25Å; Q519-W537 HydrophobicContact CB-CE3 4.41Å; A522-W537 HydrophobicContact CB-CB 4.3Å; A522-W537 HydrophobicContact CB-CD2 3.69Å; A522-W537 HydrophobicContact CB-CE3 4.36Å; A522-W537 HydrophobicContact CB-CG 3.59Å; P535-W537 VanDerWaalsContact O-CD1 3.27Å; P535-W537 PolarHBondContact O-N 3.39Å
538G93.4Very high90.2Very high9 Ų959.5 Ų59.59%0.09332%0.321CS..SBendtrans134.5-19178.700000112.4L416 Y518 Q519L416-G538 CarbonylContact O-C 3.4Å; L416-G538 VanDerWaalsContact O-CA 3.27Å; L416-G538 WeakPolarHBondContact O-CA 3.37Å; Y518-G538 WeakPolarHBondContact CA-O 3.4Å; Q519-G538 PolarHBondContact N-O 2.04Å
539S95.8Very high89.9Confident2 Ų262.1 Ų62.11%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-159.5166.4169.1570000111.4L416 T417 L517 Q519L416-S539 WeakPolarHBondContact CB-OG 3.04Å; T417-S539 PolarHBondContact N-OG 3Å; T417-S539 PolarHBondContact O-OG 2.7Å; L517-S539 CarbonylContact O-C 3.57Å; L517-S539 WeakPolarHBondContact O-CA 3Å; L517-S539 VanDerWaalsContact O-CB 3.29Å; L517-S539 WeakPolarHBondContact O-CB 3.37Å; Q519-S539 PolarHBondContact NE2-O 2.85Å
540G95.8Very high90Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-164.9168.8175.600000111.7E508 C516 L517 Y542E508-G540 VanDerWaalsContact OE1-CA 3.32Å; E508-G540 WeakPolarHBondContact OE1-CA 3.45Å; C516-G540 WeakPolarHBondContact CA-O 3.32Å; L517-G540 PolarHBondContact N-O 2.98Å; L517-G540 PolarHBondContact O-N 3.29Å; G540-Y542 VanDerWaalsContact C-CE2 3.49Å; G540-Y542 VanDerWaalsContact O-CD2 3.23Å; G540-Y542 WeakPolarHBondContact O-CD2 3.38Å; G540-Y542 WeakPolarHBondContact O-CE2 3.42Å
541C96.8Very high90.2Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-89.6130.4-179.7-61.70000112.1C488 E508 Q509 Y510 V515C488-C541 WeakPolarHBondContact CA-SG 3.47Å; C488-C541 HydrophobicContact CB-CB 3.65Å; C488-C541 WeakPolarHBondContact CB-SG 3.48Å; C488-C541 WeakPolarHBondContact SG-CB 3.45Å; C488-C541 CovalentContact SG-SG 2.04Å; C488-C541 PolarHBondContact SG-SG 3.12Å; E508-C541 CarbonylContact C-O 3.59Å; E508-C541 VanDerWaalsContact CA-O 3.24Å; E508-C541 WeakPolarHBondContact CA-O 3.34Å; E508-C541 WeakPolarHBondContact CB-O 3.4Å; E508-C541 PolarHBondContact OE1-N 2.81Å; Q509-C541 PolarHBondContact N-O 3.33Å; Q509-C541 CarbonylContact O-C 3.48Å; Y510-C541 HydrophobicContact CD1-CB 4.27Å; Y510-C541 HydrophobicContact CD2-CB 3.94Å; Y510-C541 HydrophobicContact CE1-CB 4.08Å; Y510-C541 WeakPolarHBondContact CE1-SG 3.4Å; Y510-C541 HydrophobicContact CE2-CB 3.69Å; Y510-C541 HydrophobicContact CG-CB 4.23Å; Y510-C541 PolarHBondContact OH-SG 3.39Å; V515-C541 WeakPolarHBondContact O-CA 3.41Å
542Y96.9Very high90.4Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-139.2143.8179.9-58.2-84.4000111G506 S514 V515 L517 Q519 G540 V555 L584G506-Y542 WeakPolarHBondContact O-CE1 3.3Å; G506-Y542 PolarHBondContact O-OH 3.29Å; S514-Y542 CarbonylContact C-O 3.5Å; S514-Y542 VanDerWaalsContact CA-O 3.29Å; S514-Y542 WeakPolarHBondContact CA-O 3.45Å; V515-Y542 PolarHBondContact N-O 2.89Å; V515-Y542 PolarHBondContact O-N 3.15Å; L517-Y542 HydrophobicContact CB-CD2 3.82Å; L517-Y542 HydrophobicContact CB-CE2 4.32Å; L517-Y542 HydrophobicContact CD1-CD2 3.94Å; L517-Y542 HydrophobicContact CD1-CG 4.19Å; L517-Y542 HydrophobicContact CG-CD2 4.01Å; Q519-Y542 PolarHBondContact NE2-OH 3.46Å; G540-Y542 VanDerWaalsContact C-CE2 3.49Å; G540-Y542 VanDerWaalsContact O-CD2 3.23Å; G540-Y542 WeakPolarHBondContact O-CD2 3.38Å; G540-Y542 WeakPolarHBondContact O-CE2 3.42Å; Y542-V555 HydrophobicContact CD1-CG2 4.06Å; Y542-V555 HydrophobicContact CE1-CG1 4.5Å; Y542-V555 HydrophobicContact CE1-CG2 4.39Å; Y542-L584 HydrophobicContact CD1-CD1 4Å; Y542-L584 HydrophobicContact CD2-CD1 4.11Å; Y542-L584 HydrophobicContact CD2-CD2 4.14Å; Y542-L584 HydrophobicContact CE1-CD1 3.95Å; Y542-L584 HydrophobicContact CE1-CD2 4.38Å; Y542-L584 HydrophobicContact CE2-CD1 4.06Å; Y542-L584 HydrophobicContact CE2-CD2 3.43Å; Y542-L584 VanDerWaalsContact CE2-CD2 3.43Å; Y542-L584 HydrophobicContact CE2-CG 4.41Å; Y542-L584 HydrophobicContact CG-CD1 4.08Å
543K96.6Very high90.8Very high73 Ų7339.9 Ų39.932%0.31722%0.222SC..EExtended strand (participates in β ladder)trans-68.1139.9176.3178175.4-176.1178.30110.5Q509 D513 F554Q509-K543 HydrophobicContact CG-CB 4.38Å; D513-K543 HydrophobicContact CB-CG 4.22Å; K543-F554 HydrophobicContact CB-CB 4.21Å; K543-F554 HydrophobicContact CG-CB 4.49Å; K543-F554 HydrophobicContact CG-CD2 4.26Å; K543-F554 PolarHBondContact O-N 2.8Å
544V95.6Very high91.3Very high14 Ų1439.1 Ų39.19%0.08521%0.213CC..EExtended strand (participates in β ladder)trans-125.4160.7171.9-660000111.7D513 V515 L551 T552 V553D513-V544 WeakPolarHBondContact O-CG2 3.29Å; D513-V544 PolarHBondContact O-N 2.99Å; V515-V544 HydrophobicContact CG1-CG2 3.92Å; V515-V544 HydrophobicContact CG2-CB 4.45Å; V515-V544 HydrophobicContact CG2-CG1 3.57Å; V515-V544 HydrophobicContact CG2-CG2 3.99Å; V544-L551 HydrophobicContact CB-CD1 3.85Å; V544-L551 HydrophobicContact CG1-CD1 4.26Å; V544-L551 HydrophobicContact CG2-CD1 4.26Å; V544-T552 CarbonylContact C-O 3.5Å; V544-T552 WeakPolarHBondContact CA-O 3.31Å; V544-V553 HydrophobicContact CG1-CG2 4.08Å
545S94.9Very high91.7Very high44 Ų4436.4 Ų36.431%0.30820%0.203SC..EExtended strand (participates in β ladder)trans-141.1149.9164.774.50000110.9T552 F554S545-T552 PolarHBondContact N-O 3.14Å; S545-T552 PolarHBondContact O-N 3.37Å; S545-F554 VanDerWaalsContact OG-CE2 3.27Å; S545-F554 WeakPolarHBondContact OG-CE2 3.4Å
546C92.5Very high92Very high67 Ų6736 Ų3645%0.45319%0.194SC..EExtended strand (participates in β ladder)trans-99.3139.1172.9-64.30000109.7C593C546-C593 VanDerWaalsContact CA-SG 3.6Å; C546-C593 HydrophobicContact CB-CB 3.71Å; C546-C593 WeakPolarHBondContact CB-SG 3.44Å; C546-C593 WeakPolarHBondContact SG-CA 3.11Å; C546-C593 WeakPolarHBondContact SG-CB 3.48Å; C546-C593 CovalentContact SG-SG 2.03Å; C546-C593 PolarHBondContact SG-SG 3.2Å
547S87.3Confident91.9Very high37 Ų3741.3 Ų41.326%0.25922%0.222SC..EExtended strand (participates in β ladder)trans-142.9170.5174.871.80000109.1Q549 G550S547-Q549 PolarHBondContact O-N 2.88Å; S547-Q549 PolarHBondContact OG-N 2.9Å; S547-G550 PolarHBondContact N-O 2.88Å; S547-G550 WeakPolarHBondContact O-CA 3.49Å; S547-G550 PolarHBondContact O-N 3.29Å; S547-G550 PolarHBondContact OG-O 2.92Å
548P82.8Confident91.8Very high122 Ų12241.6 Ų41.679%0.79222%0.224SC*.THydrogen-bonded Turntrans-57.6-19.2171.7-25.735.5000114G550P548-G550 VanDerWaalsContact C-N 3.26Å
549Q78.8Confident91.8Very high131 Ų13144.8 Ų44.861%0.61224%0.244SC*.THydrogen-bonded Turntrans-83.8-1.5175.1-59.5173.3400112.6S547 L561 P597S547-Q549 PolarHBondContact O-N 2.88Å; S547-Q549 PolarHBondContact OG-N 2.9Å; Q549-L561 HydrophobicContact CB-CD1 4.29Å; Q549-P597 WeakPolarHBondContact O-CG 3.47Å
550G85.8Confident91.6Very high1 Ų145 Ų451%0.0125%0.245CC..EExtended strand (participates in β ladder)trans100.9-153.9-177.500000113.2S547 P548S547-G550 PolarHBondContact N-O 2.88Å; S547-G550 WeakPolarHBondContact O-CA 3.49Å; S547-G550 PolarHBondContact O-N 3.29Å; S547-G550 PolarHBondContact OG-O 2.92Å; P548-G550 VanDerWaalsContact C-N 3.26Å
551L92.3Very high91.3Very high0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-84.4128.5-174.7-177.273.5000111.4V544 C562 P587 C589 F592V544-L551 HydrophobicContact CB-CD1 3.85Å; V544-L551 HydrophobicContact CG1-CD1 4.26Å; V544-L551 HydrophobicContact CG2-CD1 4.26Å; L551-C562 HydrophobicContact CB-CB 4.28Å; L551-C562 HydrophobicContact CD2-CB 4.39Å; L551-C562 WeakPolarHBondContact O-CB 3.38Å; L551-C562 PolarHBondContact O-N 2.95Å; L551-P587 HydrophobicContact CD2-CG 3.45Å; L551-P587 VanDerWaalsContact CD2-CG 3.45Å; L551-C589 HydrophobicContact CB-CB 4.28Å; L551-F592 HydrophobicContact CD1-CB 4.11Å; L551-F592 HydrophobicContact CD2-CD2 4.03Å
552T94.1Very high91Very high17 Ų1746.3 Ų46.310%0.10425%0.253CS..EExtended strand (participates in β ladder)trans-113.1131.5173.7-59.20000110.2V544 S545 F554 F560V544-T552 CarbonylContact C-O 3.5Å; V544-T552 WeakPolarHBondContact CA-O 3.31Å; S545-T552 PolarHBondContact N-O 3.14Å; S545-T552 PolarHBondContact O-N 3.37Å; T552-F554 HydrophobicContact CG2-CD2 4.34Å; T552-F554 HydrophobicContact CG2-CE1 4.37Å; T552-F554 HydrophobicContact CG2-CE2 3.71Å; T552-F554 HydrophobicContact CG2-CZ 3.73Å; T552-F560 CarbonylContact C-O 3.45Å; T552-F560 WeakPolarHBondContact CA-O 3.42Å
553V95.3Very high90.4Very high0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-98.6135.7173.8175.70000109.1L517 V544 S559 F560 L569 L584L517-V553 HydrophobicContact CD1-CB 4.33Å; L517-V553 HydrophobicContact CD1-CG1 3.53Å; L517-V553 HydrophobicContact CD1-CG2 3.77Å; V544-V553 HydrophobicContact CG1-CG2 4.08Å; V553-S559 CarbonylContact O-C 3.57Å; V553-S559 WeakPolarHBondContact O-CA 3.5Å; V553-F560 PolarHBondContact N-O 3.45Å; V553-F560 PolarHBondContact O-N 3.14Å; V553-L569 HydrophobicContact CB-CD1 4.01Å; V553-L569 HydrophobicContact CG1-CD1 4.34Å; V553-L569 HydrophobicContact CG2-CD1 4.13Å; V553-L584 HydrophobicContact CG1-CD1 4.33Å
554F95Very high89.9Confident53 Ų5354.3 Ų54.323%0.23229%0.286CS..EExtended strand (participates in β ladder)trans-110.3132.1176.2-62.6-97.6000110.4K543 S545 T552 R558K543-F554 HydrophobicContact CB-CB 4.21Å; K543-F554 HydrophobicContact CG-CB 4.49Å; K543-F554 HydrophobicContact CG-CD2 4.26Å; K543-F554 PolarHBondContact O-N 2.8Å; S545-F554 VanDerWaalsContact OG-CE2 3.27Å; S545-F554 WeakPolarHBondContact OG-CE2 3.4Å; T552-F554 HydrophobicContact CG2-CD2 4.34Å; T552-F554 HydrophobicContact CG2-CE1 4.37Å; T552-F554 HydrophobicContact CG2-CE2 3.71Å; T552-F554 HydrophobicContact CG2-CZ 3.73Å; F554-R558 CarbonylContact C-O 3.49Å; F554-R558 VanDerWaalsContact CA-O 3.31Å; F554-R558 WeakPolarHBondContact CA-O 3.33Å
555V93.5Very high89.6Confident1 Ų160.7 Ų60.71%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-122.4104.4165-169.20000106.8A507 Y542 D557 R558 F560 V571 V573 L584A507-V555 HydrophobicContact CB-CG1 3.81Å; Y542-V555 HydrophobicContact CD1-CG2 4.06Å; Y542-V555 HydrophobicContact CE1-CG1 4.5Å; Y542-V555 HydrophobicContact CE1-CG2 4.39Å; V555-D557 PolarHBondContact O-N 2.97Å; V555-R558 PolarHBondContact N-O 3.02Å; V555-R558 PolarHBondContact O-N 3.17Å; V555-R558 VanDerWaalsContact O-N 3.12Å; V555-F560 HydrophobicContact CB-CE2 4.2Å; V555-F560 HydrophobicContact CG2-CD2 4.36Å; V555-F560 HydrophobicContact CG2-CE2 4.06Å; V555-V571 HydrophobicContact CB-CG1 4.05Å; V555-V571 HydrophobicContact CG1-CG1 3.88Å; V555-V571 HydrophobicContact CG2-CG1 4.1Å; V555-V571 HydrophobicContact CG2-CG2 4.05Å; V555-V573 HydrophobicContact CG1-CG2 4.03Å; V555-L584 HydrophobicContact CG2-CD1 3.75Å
556Q88.9Confident89.4Confident70 Ų7060.6 Ų60.633%0.32732%0.319SS..THydrogen-bonded Turntrans59.3-122.5-174.3-53.7-67-43.400111.1R558 V573 V575Q556-R558 VanDerWaalsContact C-N 3.34Å; Q556-V573 HydrophobicContact CG-CG2 4.25Å; Q556-V575 HydrophobicContact CB-CG2 4.29Å; Q556-V575 HydrophobicContact CG-CG2 3.56Å
557D85.6Confident89.4Confident129 Ų12958.5 Ų58.569%0.6930%0.302SS*.THydrogen-bonded Turntrans-85.5-2.5179.659.9-33000113.6V555V555-D557 PolarHBondContact O-N 2.97Å
558R90.8Very high89.7Confident104 Ų10461.1 Ų61.139%0.39231%0.311SS..EExtended strand (participates in β ladder)trans-103.9141179.4-66.3-143.2178.1-142.42.7113.1F554 V555 Q556 F560 V573F554-R558 CarbonylContact C-O 3.49Å; F554-R558 VanDerWaalsContact CA-O 3.31Å; F554-R558 WeakPolarHBondContact CA-O 3.33Å; V555-R558 PolarHBondContact N-O 3.02Å; V555-R558 PolarHBondContact O-N 3.17Å; V555-R558 VanDerWaalsContact O-N 3.12Å; Q556-R558 VanDerWaalsContact C-N 3.34Å; R558-F560 HydrophobicContact CB-CE2 3.92Å; R558-F560 HydrophobicContact CB-CZ 4.22Å; R558-V573 HydrophobicContact CB-CG1 3.91Å; R558-V573 HydrophobicContact CG-CG1 3.81Å
559S92.4Very high90.2Very high76 Ų7655.3 Ų55.353%0.53127%0.273SS..EExtended strand (participates in β ladder)trans-113.9144.3177.154.70000111.5V553V553-S559 CarbonylContact O-C 3.57Å; V553-S559 WeakPolarHBondContact O-CA 3.5Å
560F92Very high90.9Very high5 Ų551 Ų512%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-135.3120.3-177-61.2-89.7000109.4T552 V553 V555 R558 L569 V571T552-F560 CarbonylContact C-O 3.45Å; T552-F560 WeakPolarHBondContact CA-O 3.42Å; V553-F560 PolarHBondContact N-O 3.45Å; V553-F560 PolarHBondContact O-N 3.14Å; V555-F560 HydrophobicContact CB-CE2 4.2Å; V555-F560 HydrophobicContact CG2-CD2 4.36Å; V555-F560 HydrophobicContact CG2-CE2 4.06Å; R558-F560 HydrophobicContact CB-CE2 3.92Å; R558-F560 HydrophobicContact CB-CZ 4.22Å; F560-L569 HydrophobicContact CB-CD1 3.69Å; F560-L569 HydrophobicContact CB-CD2 4Å; F560-L569 HydrophobicContact CB-CG 4.3Å; F560-L569 HydrophobicContact CD1-CB 4.45Å; F560-L569 HydrophobicContact CG-CD1 4.33Å; F560-V571 HydrophobicContact CE2-CG2 4.16Å; F560-V571 HydrophobicContact CZ-CB 4.4Å; F560-V571 HydrophobicContact CZ-CG1 4.4Å; F560-V571 HydrophobicContact CZ-CG2 4.04Å
561L90.1Very high91.2Very high22 Ų2251.2 Ų51.212%0.11526%0.258CS..EExtended strand (participates in β ladder)trans-80.5128.9179.9-172.567.3000111.2Q549 Q567 I605Q549-L561 HydrophobicContact CB-CD1 4.29Å; L561-Q567 PolarHBondContact O-NE2 3.08Å; L561-I605 HydrophobicContact CD2-CD1 4.3Å
562C89.5Confident91.3Very high7 Ų751.4 Ų51.45%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-93.2103.7173.9-73.50000111.2L551 C586L551-C562 HydrophobicContact CB-CB 4.28Å; L551-C562 HydrophobicContact CD2-CB 4.39Å; L551-C562 WeakPolarHBondContact O-CB 3.38Å; L551-C562 PolarHBondContact O-N 2.95Å; C562-C586 WeakPolarHBondContact CA-SG 3.23Å; C562-C586 HydrophobicContact CB-CB 3.62Å; C562-C586 WeakPolarHBondContact CB-SG 3.16Å; C562-C586 VanDerWaalsContact SG-CA 3.57Å; C562-C586 WeakPolarHBondContact SG-CB 3.49Å; C562-C586 CovalentContact SG-SG 2.04Å; C562-C586 PolarHBondContact SG-SG 3.37Å
563V84.3Confident91.1Very high52 Ų5250.6 Ų50.632%0.31526%0.255SS..  trans-84.1-36.1-179.2-177.70000110.8Q567 L602V563-Q567 VanDerWaalsContact CB-OE1 3.29Å; V563-L602 HydrophobicContact CG1-CB 3.94Å; V563-L602 HydrophobicContact CG1-CD1 3.49Å; V563-L602 VanDerWaalsContact CG1-CD1 3.49Å; V563-L602 HydrophobicContact CG1-CD2 4.1Å; V563-L602 HydrophobicContact CG1-CG 4.02Å
564R86.4Confident90.8Very high188 Ų18855.8 Ų55.871%0.70927%0.274SS*.SBendtrans-149.9154.2178.865.1-180-177.9178.2-0.4112.6G566 Q567 C586R564-G566 PolarHBondContact O-N 2.96Å; R564-Q567 HydrophobicContact CG-CB 4.12Å; R564-Q567 VanDerWaalsContact O-CB 3.24Å; R564-Q567 WeakPolarHBondContact O-CB 3.13Å; R564-Q567 PolarHBondContact O-N 2.84Å; R564-Q567 VanDerWaalsContact O-N 3.15Å; R564-C586 WeakPolarHBondContact O-CB 2.95Å
565K89.9Confident90.3Very high149 Ų14955.2 Ų55.265%0.64828%0.275SS*.THydrogen-bonded Turntrans-55.6134.4171.6-172.2176.7-171.5156.80110.7Q567 A588K565-Q567 VanDerWaalsContact C-N 3.27Å; K565-Q567 PolarHBondContact O-N 2.77Å; K565-A588 HydrophobicContact CB-CB 4.23Å; K565-A588 HydrophobicContact CD-CB 4.23Å; K565-A588 HydrophobicContact CG-CB 4.47Å
566G90.3Very high89.8Confident42 Ų4266 Ų6643%0.43332%0.316SS..THydrogen-bonded Turntrans77.63.3-179.700000115.1R564 Q568 C586R564-G566 PolarHBondContact O-N 2.96Å; G566-Q568 PolarHBondContact O-N 2.85Å; G566-C586 PolarHBondContact N-O 2.83Å
567Q91.9Very high89.5Confident22 Ų2268.6 Ų68.610%0.10333%0.332CS..  trans-57131.1169.3170.8-174-22.600109.8L561 V563 R564 K565 L569 L585 C586L561-Q567 PolarHBondContact O-NE2 3.08Å; V563-Q567 VanDerWaalsContact CB-OE1 3.29Å; R564-Q567 HydrophobicContact CG-CB 4.12Å; R564-Q567 VanDerWaalsContact O-CB 3.24Å; R564-Q567 WeakPolarHBondContact O-CB 3.13Å; R564-Q567 PolarHBondContact O-N 2.84Å; R564-Q567 VanDerWaalsContact O-N 3.15Å; K565-Q567 VanDerWaalsContact C-N 3.27Å; K565-Q567 PolarHBondContact O-N 2.77Å; Q567-L569 HydrophobicContact CG-CD2 4.15Å; Q567-L585 WeakPolarHBondContact O-CA 3.42Å; Q567-C586 HydrophobicContact CB-CB 3.9Å; Q567-C586 PolarHBondContact O-N 2.79Å
568Q94.4Very high89.6Confident93 Ų9364.1 Ų64.144%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-84.2126.8176.5-72.4167.464.600109.6K520 G566 V583 L584 L585K520-Q568 HydrophobicContact CD-CG 3.98Å; G566-Q568 PolarHBondContact O-N 2.85Å; Q568-V583 HydrophobicContact CB-CG1 3.91Å; Q568-V583 HydrophobicContact CG-CG1 4.08Å; Q568-L584 WeakPolarHBondContact CA-O 3.47Å; Q568-L585 HydrophobicContact CG-CD2 3.65Å
569L93.4Very high89.7Confident0 Ų059.2 Ų59.20%029%0.287CS..EExtended strand (participates in β ladder)trans-104.4107.2174.4-56.2-178.6000108.1V553 F560 Q567 V571 V583 L584 S608V553-L569 HydrophobicContact CB-CD1 4.01Å; V553-L569 HydrophobicContact CG1-CD1 4.34Å; V553-L569 HydrophobicContact CG2-CD1 4.13Å; F560-L569 HydrophobicContact CB-CD1 3.69Å; F560-L569 HydrophobicContact CB-CD2 4Å; F560-L569 HydrophobicContact CB-CG 4.3Å; F560-L569 HydrophobicContact CD1-CB 4.45Å; F560-L569 HydrophobicContact CG-CD1 4.33Å; Q567-L569 HydrophobicContact CG-CD2 4.15Å; L569-V571 PolarHBondContact O-N 2.83Å; L569-V583 WeakPolarHBondContact O-CA 3.31Å; L569-L584 HydrophobicContact CB-CB 4.25Å; L569-L584 PolarHBondContact N-O 2.85Å; L569-L584 PolarHBondContact O-N 2.77Å; L569-S608 WeakPolarHBondContact CA-O 3.4Å
570S93.2Very high89.6Confident41 Ų4156.6 Ų56.629%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-79.4109.9173.8-62.20000108.7S608 S610S570-S608 PolarHBondContact N-O 3.39Å; S570-S610 PolarHBondContact O-N 3.33Å; S570-S610 VanDerWaalsContact O-N 3.09Å; S570-S610 PolarHBondContact O-OG 2.98Å
571V92.9Very high89.7Confident5 Ų558 Ų583%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-99.2129.1-176.5-179.90000109.3F523 V555 F560 L569 V573 N581 G582 L584F523-V571 HydrophobicContact CE1-CB 4.39Å; F523-V571 HydrophobicContact CE1-CG1 4.11Å; F523-V571 HydrophobicContact CZ-CB 4.25Å; F523-V571 HydrophobicContact CZ-CG1 4.36Å; F523-V571 HydrophobicContact CZ-CG2 4.35Å; V555-V571 HydrophobicContact CB-CG1 4.05Å; V555-V571 HydrophobicContact CG1-CG1 3.88Å; V555-V571 HydrophobicContact CG2-CG1 4.1Å; V555-V571 HydrophobicContact CG2-CG2 4.05Å; F560-V571 HydrophobicContact CE2-CG2 4.16Å; F560-V571 HydrophobicContact CZ-CB 4.4Å; F560-V571 HydrophobicContact CZ-CG1 4.4Å; F560-V571 HydrophobicContact CZ-CG2 4.04Å; L569-V571 PolarHBondContact O-N 2.83Å; V571-V573 HydrophobicContact CG1-CG1 4.02Å; V571-V573 HydrophobicContact CG1-CG2 4.27Å; V571-N581 VanDerWaalsContact O-CA 3.27Å; V571-N581 WeakPolarHBondContact O-CA 3.32Å; V571-G582 PolarHBondContact N-O 2.87Å; V571-G582 PolarHBondContact O-N 3.45Å; V571-L584 HydrophobicContact CG2-CD1 4.09Å; V571-L584 HydrophobicContact CG2-CG 4.21Å
572S92.4Very high89.8Confident4 Ų457.3 Ų57.33%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-144.5103.1170.1-165.60000107.1Y580 N581 S610 I613S572-Y580 VanDerWaalsContact CA-O 3.24Å; S572-Y580 WeakPolarHBondContact CA-O 3.32Å; S572-N581 WeakPolarHBondContact CB-OD1 3.37Å; S572-N581 PolarHBondContact OG-OD1 3.05Å; S572-S610 WeakPolarHBondContact CA-OG 3.44Å; S572-S610 WeakPolarHBondContact CB-OG 3.43Å; S572-S610 PolarHBondContact N-OG 2.94Å; S572-I613 PolarHBondContact OG-N 2.71Å; S572-I613 VanDerWaalsContact OG-N 3.15Å
573V91.1Very high90.1Very high0 Ų058.3 Ų58.30%028%0.277CS..EExtended strand (participates in β ladder)trans-131.8141.9-174.8-60.40000111V555 Q556 R558 V571 V579 Y580V555-V573 HydrophobicContact CG1-CG2 4.03Å; Q556-V573 HydrophobicContact CG-CG2 4.25Å; R558-V573 HydrophobicContact CB-CG1 3.91Å; R558-V573 HydrophobicContact CG-CG1 3.81Å; V571-V573 HydrophobicContact CG1-CG1 4.02Å; V571-V573 HydrophobicContact CG1-CG2 4.27Å; V573-V579 CarbonylContact O-C 3.58Å; V573-V579 WeakPolarHBondContact O-CA 3.48Å; V573-Y580 PolarHBondContact N-O 2.91Å; V573-Y580 PolarHBondContact O-N 2.86Å
574R88Confident90.7Very high109 Ų10955.9 Ų55.941%0.41126%0.262SS..EExtended strand (participates in β ladder)trans-102.2123.2178.9178.4171.3-77150.1-5109.7R576 W578 I613 D614R574-R576 WeakPolarHBondContact CG-O 3.46Å; R574-W578 CarbonylContact C-O 3.48Å; R574-W578 WeakPolarHBondContact CA-O 3.49Å; R574-I613 HydrophobicContact CB-CD1 4.11Å; R574-I613 VanDerWaalsContact CZ-CG2 3.4Å; R574-D614 PolarHBondContact NH2-O 2.7Å
575V84.5Confident91.1Very high41 Ų4149.2 Ų49.225%0.24824%0.241CC..EExtended strand (participates in β ladder)trans-123.1109.1173.8-172.40000108.1Q556 D577 W578 Y580Q556-V575 HydrophobicContact CB-CG2 4.29Å; Q556-V575 HydrophobicContact CG-CG2 3.56Å; V575-D577 PolarHBondContact O-N 3.26Å; V575-W578 PolarHBondContact N-O 2.92Å; V575-W578 PolarHBondContact O-N 3.25Å; V575-W578 VanDerWaalsContact O-N 3.09Å; V575-Y580 HydrophobicContact CB-CD2 4.35Å; V575-Y580 HydrophobicContact CB-CE2 3.86Å; V575-Y580 HydrophobicContact CG2-CD2 3.98Å; V575-Y580 HydrophobicContact CG2-CE2 3.86Å
576R82.9Confident91.2Very high226 Ų22642.3 Ų42.385%0.85321%0.211SC*.THydrogen-bonded Turntrans53.9-124.3-169.8-53.5176.8-176.9172.40.7109.4R574R574-R576 WeakPolarHBondContact CG-O 3.46Å
577D83.9Confident91.4Very high125 Ų12540.6 Ų40.667%0.66819%0.192SC*.THydrogen-bonded Turntrans-87.3-1.3-179.1-54.4-40.1000114.1Q527 V575Q527-D577 WeakPolarHBondContact CG-O 3.44Å; V575-D577 PolarHBondContact O-N 3.26Å
578W88Confident91.2Very high36 Ų3640.3 Ų40.314%0.13619%0.194CC..EExtended strand (participates in β ladder)trans-104.6139.6-177.3-66.290.2000111.4R503 M525 E526 Q527 R530 M532 R574 V575 Y580R503-W578 VanDerWaalsContact NH1-CH2 3.29Å; M525-W578 HydrophobicContact CB-CE3 4.41Å; M525-W578 HydrophobicContact CE-CD2 3.76Å; M525-W578 HydrophobicContact CE-CE3 3.61Å; M525-W578 HydrophobicContact CE-CH2 3.99Å; M525-W578 HydrophobicContact CE-CZ2 4.15Å; M525-W578 HydrophobicContact CE-CZ3 3.72Å; M525-W578 HydrophobicContact CG-CB 3.91Å; M525-W578 HydrophobicContact CG-CD2 3.87Å; M525-W578 HydrophobicContact CG-CE3 3.53Å; M525-W578 HydrophobicContact CG-CG 4.07Å; M525-W578 HydrophobicContact CG-CZ3 4.35Å; M525-W578 HydrophobicContact SD-CB 4.31Å; M525-W578 HydrophobicContact SD-CD2 3.87Å; M525-W578 HydrophobicContact SD-CE3 4Å; M525-W578 HydrophobicContact SD-CG 4.03Å; E526-W578 VanDerWaalsContact C-CE3 3.48Å; E526-W578 WeakPolarHBondContact O-CA 3.27Å; Q527-W578 HydrophobicContact CB-CE3 4.06Å; Q527-W578 HydrophobicContact CB-CH2 4.24Å; Q527-W578 HydrophobicContact CB-CZ3 3.92Å; Q527-W578 HydrophobicContact CG-CD2 3.58Å; Q527-W578 HydrophobicContact CG-CE3 3.56Å; Q527-W578 HydrophobicContact CG-CG 4.16Å; Q527-W578 HydrophobicContact CG-CH2 3.98Å; Q527-W578 HydrophobicContact CG-CZ2 3.96Å; Q527-W578 HydrophobicContact CG-CZ3 3.78Å; Q527-W578 VanDerWaalsContact NE2-CE2 3.26Å; Q527-W578 VanDerWaalsContact NE2-NE1 3.2Å; Q527-W578 VanDerWaalsContact OE1-CH2 3.27Å; R530-W578 HydrophobicContact CB-CH2 3.93Å; R530-W578 HydrophobicContact CB-CZ3 4.19Å; M532-W578 HydrophobicContact SD-CH2 4.14Å; R574-W578 CarbonylContact C-O 3.48Å; R574-W578 WeakPolarHBondContact CA-O 3.49Å; V575-W578 PolarHBondContact N-O 2.92Å; V575-W578 PolarHBondContact O-N 3.25Å; V575-W578 VanDerWaalsContact O-N 3.09Å; W578-Y580 HydrophobicContact CB-CE2 3.94Å
579V91.1Very high91Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-104130.1168.5-178.80000108.3M525 E526 V573 I613 P615M525-V579 CarbonylContact C-O 3.42Å; M525-V579 WeakPolarHBondContact CA-O 3.08Å; E526-V579 HydrophobicContact CG-CB 3.94Å; E526-V579 PolarHBondContact N-O 2.65Å; E526-V579 PolarHBondContact O-N 3.38Å; V573-V579 CarbonylContact O-C 3.58Å; V573-V579 WeakPolarHBondContact O-CA 3.48Å; V579-I613 HydrophobicContact CG1-CB 3.91Å; V579-I613 HydrophobicContact CG1-CG2 4.32Å; V579-I613 HydrophobicContact CG2-CB 4.29Å; V579-I613 HydrophobicContact CG2-CG2 3.77Å; V579-P615 HydrophobicContact CG2-CB 3.95Å
580Y92.2Very high90.8Very high21 Ų2142 Ų428%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-105.8123.8176-67.4-98000109.2N504 A507 V524 M525 S572 V573 V575 W578N504-Y580 WeakPolarHBondContact O-CE1 3.35Å; A507-Y580 HydrophobicContact CB-CD1 3.81Å; A507-Y580 HydrophobicContact CB-CE1 4.31Å; A507-Y580 HydrophobicContact CB-CG 3.92Å; V524-Y580 CarbonylContact O-C 3.45Å; V524-Y580 WeakPolarHBondContact O-CA 3.37Å; M525-Y580 HydrophobicContact CB-CD1 4.01Å; M525-Y580 HydrophobicContact CB-CE1 3.87Å; M525-Y580 HydrophobicContact CG-CD1 3.86Å; M525-Y580 HydrophobicContact CG-CD2 4.48Å; M525-Y580 HydrophobicContact CG-CE1 3.41Å; M525-Y580 VanDerWaalsContact CG-CE1 3.41Å; M525-Y580 HydrophobicContact CG-CE2 4.07Å; M525-Y580 HydrophobicContact CG-CG 4.39Å; M525-Y580 HydrophobicContact SD-CE1 3.56Å; M525-Y580 VanDerWaalsContact SD-CE1 3.56Å; M525-Y580 HydrophobicContact SD-CE2 4.36Å; M525-Y580 PolarHBondContact SD-OH 3.42Å; S572-Y580 VanDerWaalsContact CA-O 3.24Å; S572-Y580 WeakPolarHBondContact CA-O 3.32Å; V573-Y580 PolarHBondContact N-O 2.91Å; V573-Y580 PolarHBondContact O-N 2.86Å; V575-Y580 HydrophobicContact CB-CD2 4.35Å; V575-Y580 HydrophobicContact CB-CE2 3.86Å; V575-Y580 HydrophobicContact CG2-CD2 3.98Å; V575-Y580 HydrophobicContact CG2-CE2 3.86Å; W578-Y580 HydrophobicContact CB-CE2 3.94Å
581N93.3Very high90.4Very high36 Ų3643.8 Ų43.819%0.19322%0.218CC..EExtended strand (participates in β ladder)trans-120.6134.2177-59.3-74000110.6F523 V524 E526 V571 S572F523-N581 CarbonylContact C-O 3.59Å; F523-N581 WeakPolarHBondContact CA-O 3.03Å; V524-N581 PolarHBondContact N-O 3.35Å; V524-N581 PolarHBondContact O-N 2.97Å; E526-N581 PolarHBondContact OE1-ND2 3.01Å; V571-N581 VanDerWaalsContact O-CA 3.27Å; V571-N581 WeakPolarHBondContact O-CA 3.32Å; S572-N581 WeakPolarHBondContact CB-OD1 3.37Å; S572-N581 PolarHBondContact OG-OD1 3.05Å
582G93.2Very high90.2Very high7 Ų745.8 Ų45.87%0.07223%0.226CC..EExtended strand (participates in β ladder)trans-172.7175.9179.500000112.7V571V571-G582 PolarHBondContact N-O 2.87Å; V571-G582 PolarHBondContact O-N 3.45Å
583V95.1Very high90Very high28 Ų2845.9 Ų45.917%0.1723%0.227CC..EExtended strand (participates in β ladder)trans-127.6118.1176.8-176.50000109.7Q519 K520 S521 Q568 L569Q519-V583 CarbonylContact C-O 3.53Å; Q519-V583 WeakPolarHBondContact CA-O 3.29Å; K520-V583 HydrophobicContact CB-CB 4.11Å; K520-V583 HydrophobicContact CB-CG1 3.92Å; K520-V583 HydrophobicContact CD-CG1 4.36Å; K520-V583 PolarHBondContact N-O 2.87Å; S521-V583 PolarHBondContact OG-N 3.09Å; Q568-V583 HydrophobicContact CB-CG1 3.91Å; Q568-V583 HydrophobicContact CG-CG1 4.08Å; L569-V583 WeakPolarHBondContact O-CA 3.31Å
584L95.9Very high89.7Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-98.1154.6173.4-61.3175.2000111L517 Q519 F523 Y542 V553 V555 Q568 L569 V571L517-L584 HydrophobicContact CD1-CD1 4.41Å; Q519-L584 HydrophobicContact CG-CD2 3.76Å; F523-L584 HydrophobicContact CE2-CD2 3.65Å; F523-L584 HydrophobicContact CE2-CG 4.06Å; F523-L584 HydrophobicContact CZ-CD1 4.31Å; F523-L584 HydrophobicContact CZ-CD2 3.93Å; F523-L584 HydrophobicContact CZ-CG 3.93Å; Y542-L584 HydrophobicContact CD1-CD1 4Å; Y542-L584 HydrophobicContact CD2-CD1 4.11Å; Y542-L584 HydrophobicContact CD2-CD2 4.14Å; Y542-L584 HydrophobicContact CE1-CD1 3.95Å; Y542-L584 HydrophobicContact CE1-CD2 4.38Å; Y542-L584 HydrophobicContact CE2-CD1 4.06Å; Y542-L584 HydrophobicContact CE2-CD2 3.43Å; Y542-L584 VanDerWaalsContact CE2-CD2 3.43Å; Y542-L584 HydrophobicContact CE2-CG 4.41Å; Y542-L584 HydrophobicContact CG-CD1 4.08Å; V553-L584 HydrophobicContact CG1-CD1 4.33Å; V555-L584 HydrophobicContact CG2-CD1 3.75Å; Q568-L584 WeakPolarHBondContact CA-O 3.47Å; L569-L584 HydrophobicContact CB-CB 4.25Å; L569-L584 PolarHBondContact N-O 2.85Å; L569-L584 PolarHBondContact O-N 2.77Å; V571-L584 HydrophobicContact CG2-CD1 4.09Å; V571-L584 HydrophobicContact CG2-CG 4.21Å
585L95.3Very high89.4Confident49 Ų4955 Ų5526%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-107.1125.5173-60.2-179.1000110.2Y518 K520 Q567 Q568Y518-L585 PolarHBondContact O-N 2.03Å; K520-L585 HydrophobicContact CB-CD2 4.15Å; K520-L585 HydrophobicContact CB-CG 4.32Å; K520-L585 HydrophobicContact CD-CD2 4.36Å; Q567-L585 WeakPolarHBondContact O-CA 3.42Å; Q568-L585 HydrophobicContact CG-CD2 3.65Å
586C93.3Very high89.4Confident4 Ų454.9 Ų54.93%0.02728%0.284CS..  trans-63.9134.9173.4-80.70000111.4C562 R564 G566 Q567C562-C586 WeakPolarHBondContact CA-SG 3.23Å; C562-C586 HydrophobicContact CB-CB 3.62Å; C562-C586 WeakPolarHBondContact CB-SG 3.16Å; C562-C586 VanDerWaalsContact SG-CA 3.57Å; C562-C586 WeakPolarHBondContact SG-CB 3.49Å; C562-C586 CovalentContact SG-SG 2.04Å; C562-C586 PolarHBondContact SG-SG 3.37Å; R564-C586 WeakPolarHBondContact O-CB 2.95Å; G566-C586 PolarHBondContact N-O 2.83Å; Q567-C586 HydrophobicContact CB-CB 3.9Å; Q567-C586 PolarHBondContact O-N 2.79Å
587P92.5Very high89.2Confident6 Ų645.4 Ų45.44%0.03925%0.252CS..  trans-80.3-177.8168.937.1-34.4000110.8L517 L551 F592L517-P587 HydrophobicContact CD2-CG 3.89Å; L551-P587 HydrophobicContact CD2-CG 3.45Å; L551-P587 VanDerWaalsContact CD2-CG 3.45Å; P587-F592 HydrophobicContact CB-CD2 4.4Å; P587-F592 HydrophobicContact CB-CE2 3.61Å; P587-F592 HydrophobicContact CG-CD2 3.99Å; P587-F592 HydrophobicContact CG-CE2 3.48Å; P587-F592 VanDerWaalsContact CG-CE2 3.48Å; P587-F592 HydrophobicContact CG-CZ 4.49Å
588A89.6Confident88.8Confident16 Ų1644 Ų4413%0.13224%0.243CC..  trans-75.2142.1170.200000109.7K565 T590 D591K565-A588 HydrophobicContact CB-CB 4.23Å; K565-A588 HydrophobicContact CD-CB 4.23Å; K565-A588 HydrophobicContact CG-CB 4.47Å; A588-T590 VanDerWaalsContact C-N 3.29Å; A588-T590 PolarHBondContact O-N 3.47Å; A588-D591 VanDerWaalsContact CB-OD2 3.25Å; A588-D591 WeakPolarHBondContact CB-OD2 3.29Å; A588-D591 PolarHBondContact N-OD2 3.08Å; A588-D591 WeakPolarHBondContact O-CB 3.22Å; A588-D591 PolarHBondContact O-N 2.93Å
589C89.3Confident87.7Confident22 Ų2247.4 Ų47.415%0.14927%0.27CS..G310 helixtrans-60.7-42.2177174.10000111.4L551 D591 F592 C593 C596L551-C589 HydrophobicContact CB-CB 4.28Å; C589-D591 PolarHBondContact O-N 3.47Å; C589-D591 VanDerWaalsContact O-N 3.08Å; C589-F592 PolarHBondContact O-N 3.42Å; C589-C593 PolarHBondContact O-N 3.12Å; C589-C596 HydrophobicContact CB-CB 3.84Å; C589-C596 WeakPolarHBondContact CB-SG 3.45Å; C589-C596 PolarHBondContact O-SG 3.01Å; C589-C596 WeakPolarHBondContact SG-CB 3.31Å; C589-C596 CovalentContact SG-SG 2.04Å; C589-C596 PolarHBondContact SG-SG 3.47Å
590T88.6Confident86.4Confident105 Ų10554.4 Ų54.464%0.64430%0.303SS*.G310 helixtrans-64.8-13.1-178.552.10000114.1A588 F592 C596A588-T590 VanDerWaalsContact C-N 3.29Å; A588-T590 PolarHBondContact O-N 3.47Å; T590-F592 VanDerWaalsContact C-N 3.25Å; T590-C596 HydrophobicContact CG2-CB 4.23Å; T590-C596 PolarHBondContact N-SG 3.36Å
591D85.6Confident85Confident80 Ų8059.2 Ų59.243%0.42833%0.326SS..G310 helixtrans-74.2-21.8175.6-60.3-20.9000110.9A588 C589A588-D591 VanDerWaalsContact CB-OD2 3.25Å; A588-D591 WeakPolarHBondContact CB-OD2 3.29Å; A588-D591 PolarHBondContact N-OD2 3.08Å; A588-D591 WeakPolarHBondContact O-CB 3.22Å; A588-D591 PolarHBondContact O-N 2.93Å; C589-D591 PolarHBondContact O-N 3.47Å; C589-D591 VanDerWaalsContact O-N 3.08Å
592F87.6Confident83.6Confident46 Ų4659.7 Ų59.720%0.20233%0.328CS..THydrogen-bonded Turntrans-132.3-24.6-172.8-57.3-74.9000115.6Q422 V515 L551 P587 C589 T590Q422-F592 HydrophobicContact CB-CE1 4.31Å; Q422-F592 HydrophobicContact CB-CZ 3.76Å; Q422-F592 HydrophobicContact CG-CZ 4.35Å; V515-F592 HydrophobicContact CB-CE1 3.97Å; V515-F592 HydrophobicContact CB-CZ 4.19Å; V515-F592 HydrophobicContact CG1-CD1 3.85Å; V515-F592 HydrophobicContact CG1-CE1 3.5Å; V515-F592 VanDerWaalsContact CG1-CE1 3.5Å; V515-F592 HydrophobicContact CG1-CZ 4.18Å; V515-F592 HydrophobicContact CG2-CE1 4.41Å; V515-F592 HydrophobicContact CG2-CZ 4.3Å; L551-F592 HydrophobicContact CD1-CB 4.11Å; L551-F592 HydrophobicContact CD2-CD2 4.03Å; P587-F592 HydrophobicContact CB-CD2 4.4Å; P587-F592 HydrophobicContact CB-CE2 3.61Å; P587-F592 HydrophobicContact CG-CD2 3.99Å; P587-F592 HydrophobicContact CG-CE2 3.48Å; P587-F592 VanDerWaalsContact CG-CE2 3.48Å; P587-F592 HydrophobicContact CG-CZ 4.49Å; C589-F592 PolarHBondContact O-N 3.42Å; T590-F592 VanDerWaalsContact C-N 3.25Å
593C88.4Confident81.9Confident7 Ų765.5 Ų65.55%0.04736%0.357CS..  trans-115.7139.3-175.4-52.70000110.7C546 C589C546-C593 VanDerWaalsContact CA-SG 3.6Å; C546-C593 HydrophobicContact CB-CB 3.71Å; C546-C593 WeakPolarHBondContact CB-SG 3.44Å; C546-C593 WeakPolarHBondContact SG-CA 3.11Å; C546-C593 WeakPolarHBondContact SG-CB 3.48Å; C546-C593 CovalentContact SG-SG 2.03Å; C546-C593 PolarHBondContact SG-SG 3.2Å; C589-C593 PolarHBondContact O-N 3.12Å
594D84.7Confident80Confident171 Ų17170.7 Ų70.791%0.91439%0.391SS*.SBendtrans-72.5-39.4175.2-63-42.9000111.4
595D83.4Confident78.2Confident130 Ų13075 Ų7570%0.69541%0.413SS*.  trans-107.5112.4178.7-67.3-43.4000110.6
596C83.5Confident76.4Confident38 Ų3880.2 Ų80.226%0.25744%0.441SS..  trans-122.4131.8177.3-68.90000110.7C589 T590C589-C596 HydrophobicContact CB-CB 3.84Å; C589-C596 WeakPolarHBondContact CB-SG 3.45Å; C589-C596 PolarHBondContact O-SG 3.01Å; C589-C596 WeakPolarHBondContact SG-CB 3.31Å; C589-C596 CovalentContact SG-SG 2.04Å; C589-C596 PolarHBondContact SG-SG 3.47Å; T590-C596 HydrophobicContact CG2-CB 4.23Å; T590-C596 PolarHBondContact N-SG 3.36Å
597P80Confident74.7Confident27 Ų2781.8 Ų81.818%0.17546%0.455CS..  trans-63.3141.2178.727-35.9000111Q549 Q601 L602Q549-P597 WeakPolarHBondContact O-CG 3.47Å; P597-Q601 HydrophobicContact CB-CB 4.32Å; P597-L602 HydrophobicContact CB-CD2 4.06Å; P597-L602 HydrophobicContact CB-CG 4.46Å; P597-L602 HydrophobicContact CG-CD2 3.63Å; P597-L602 HydrophobicContact CG-CG 4.4Å
598L74.3Confident73.3Confident94 Ų9483 Ų8349%0.49246%0.463SS..  trans-69.7152.7174.9-66.9168.3000110.1H600 Q601L598-H600 WeakPolarHBondContact CB-CE1 3.49Å; L598-H600 VanDerWaalsContact CD1-CE1 3.47Å; L598-H600 WeakPolarHBondContact CD1-CE1 3.48Å; L598-H600 PolarHBondContact O-N 2.91Å; L598-Q601 HydrophobicContact CB-CG 4.36Å; L598-Q601 WeakPolarHBondContact O-CB 3.22Å; L598-Q601 PolarHBondContact O-N 2.94Å
599P65.3Low72.2Confident108 Ų10891.2 Ų91.270%0.70149%0.491SS*.G310 helixtrans-53.4-29.6-174.4-28.934.8000115.4
600H62.9Low71.5Confident148 Ų14890.7 Ų90.769%0.68549%0.488SS*.G310 helixtrans-82.4-11.9179.755.9-93.3000114.2L598 L602L598-H600 WeakPolarHBondContact CB-CE1 3.49Å; L598-H600 VanDerWaalsContact CD1-CE1 3.47Å; L598-H600 WeakPolarHBondContact CD1-CE1 3.48Å; L598-H600 PolarHBondContact O-N 2.91Å; H600-L602 VanDerWaalsContact C-N 3.33Å
601Q63.8Low71Confident121 Ų12191.9 Ų91.957%0.56549%0.49SS*.G310 helixtrans-88.1-6.3176.4-63.4174.2-27.100112.1P597 L598P597-Q601 HydrophobicContact CB-CB 4.32Å; L598-Q601 HydrophobicContact CB-CG 4.36Å; L598-Q601 WeakPolarHBondContact O-CB 3.22Å; L598-Q601 PolarHBondContact O-N 2.94Å
602L62.9Low70.8Confident47 Ų4793.8 Ų93.825%0.24651%0.507CS..  trans-88.5112.7-174.7-65.7164000110V563 P597 H600V563-L602 HydrophobicContact CG1-CB 3.94Å; V563-L602 HydrophobicContact CG1-CD1 3.49Å; V563-L602 VanDerWaalsContact CG1-CD1 3.49Å; V563-L602 HydrophobicContact CG1-CD2 4.1Å; V563-L602 HydrophobicContact CG1-CG 4.02Å; P597-L602 HydrophobicContact CB-CD2 4.06Å; P597-L602 HydrophobicContact CB-CG 4.46Å; P597-L602 HydrophobicContact CG-CD2 3.63Å; P597-L602 HydrophobicContact CG-CG 4.4Å; H600-L602 VanDerWaalsContact C-N 3.33Å
603L58.3Low70.6Confident129 Ų12993 Ų9368%0.67550%0.504SS*.  trans-61.6147.4170.4-70.1167.9000110.1I605L603-I605 VanDerWaalsContact C-N 3.26Å; L603-I605 HydrophobicContact CB-CD1 4.22Å; L603-I605 HydrophobicContact CB-CG1 3.8Å; L603-I605 PolarHBondContact O-N 3.19Å
604P55.8Low70.3Confident136 Ų13697.1 Ų97.188%0.88353%0.526SS*.  trans-70.284.7170.327.7-31000109.3
605I57.8Low70Confident90 Ų9090.2 Ų90.246%0.46249%0.49SS..  trans-96126.2-179.8-51.6175.4000109.3L561 L603 A607L561-I605 HydrophobicContact CD2-CD1 4.3Å; L603-I605 VanDerWaalsContact C-N 3.26Å; L603-I605 HydrophobicContact CB-CD1 4.22Å; L603-I605 HydrophobicContact CB-CG1 3.8Å; L603-I605 PolarHBondContact O-N 3.19Å; I605-A607 HydrophobicContact CB-CB 4.34Å; I605-A607 HydrophobicContact CG2-CB 3.49Å; I605-A607 VanDerWaalsContact CG2-CB 3.49Å; I605-A607 PolarHBondContact O-N 2.72Å
606N56Low69.8Low159 Ų15986.6 Ų86.685%0.8548%0.475SS*.  trans-69.725.1170.6-97.4-15.1000113.7S608N606-S608 PolarHBondContact O-N 2.96Å
607A58.3Low69.1Low38 Ų3888.7 Ų88.731%0.31449%0.489SS..THydrogen-bonded Turntrans-79.65.7-174.300000114.3I605 R609I605-A607 HydrophobicContact CB-CB 4.34Å; I605-A607 HydrophobicContact CG2-CB 3.49Å; I605-A607 VanDerWaalsContact CG2-CB 3.49Å; I605-A607 PolarHBondContact O-N 2.72Å; A607-R609 VanDerWaalsContact C-N 3.33Å
608S63.2Low68Low30 Ų3091.8 Ų91.821%0.2151%0.512CS..THydrogen-bonded Turntrans-83-7.7-179.857.40000113.9L569 S570 N606L569-S608 WeakPolarHBondContact CA-O 3.4Å; S570-S608 PolarHBondContact N-O 3.39Å; N606-S608 PolarHBondContact O-N 2.96Å
609R66.8Low66.7Low190 Ų19091.2 Ų91.272%0.71752%0.516SS*.BIsolated β-bridgetrans-131123.7-175.6-64.9-175.5178.2-179.10.2111.6A607A607-R609 VanDerWaalsContact C-N 3.33Å
610S74.4Confident65.9Low11 Ų1190.3 Ų90.38%0.07751%0.51CS..PPolyproline II helixtrans-78.9144.1158.756.40000110.1S570 S572S570-S610 PolarHBondContact O-N 3.33Å; S570-S610 VanDerWaalsContact O-N 3.09Å; S570-S610 PolarHBondContact O-OG 2.98Å; S572-S610 WeakPolarHBondContact CA-OG 3.44Å; S572-S610 WeakPolarHBondContact CB-OG 3.43Å; S572-S610 PolarHBondContact N-OG 2.94Å
611N78.4Confident65.4Low130 Ų13085 Ų8570%0.69550%0.495SS*.PPolyproline II helixtrans-60.2133.5170.2-70.3-22.4000109.9I613N611-I613 PolarHBondContact O-N 2.88Å
612P80.8Confident64.9Low119 Ų11985.1 Ų85.177%0.77350%0.499SS*.PPolyproline II helixtrans-56.6133.1174.6-22.632.5000110.8
613I82.9Confident64.5Low31 Ų3185.7 Ų85.716%0.15951%0.511CS..PPolyproline II helixtrans-99.8119.3177.5-59.4175.7000108.5S572 R574 V579 N611 P615S572-I613 PolarHBondContact OG-N 2.71Å; S572-I613 VanDerWaalsContact OG-N 3.15Å; R574-I613 HydrophobicContact CB-CD1 4.11Å; R574-I613 VanDerWaalsContact CZ-CG2 3.4Å; V579-I613 HydrophobicContact CG1-CB 3.91Å; V579-I613 HydrophobicContact CG1-CG2 4.32Å; V579-I613 HydrophobicContact CG2-CB 4.29Å; V579-I613 HydrophobicContact CG2-CG2 3.77Å; N611-I613 PolarHBondContact O-N 2.88Å; I613-P615 WeakPolarHBondContact O-CD 3.42Å
614D83.1Confident64.5Low92 Ų9284 Ų8449%0.49250%0.501SS..PPolyproline II helixtrans-74116.9169.9179-0.9000109.7R574 C616 S617R574-D614 PolarHBondContact NH2-O 2.7Å; D614-C616 PolarHBondContact O-N 3.17Å; D614-C616 WeakPolarHBondContact OD1-CB 3.4Å; D614-C616 PolarHBondContact OD1-N 3.42Å; D614-S617 PolarHBondContact O-N 3.38Å
615P79.3Confident64.7Low27 Ų2780.9 Ų80.918%0.17548%0.48CS..THydrogen-bonded Turntrans-65.5-17178.828.6-35.8000113.6E526 V579 I613E526-P615 HydrophobicContact CG-CB 4.39Å; E526-P615 HydrophobicContact CG-CG 4.07Å; V579-P615 HydrophobicContact CG2-CB 3.95Å; I613-P615 WeakPolarHBondContact O-CD 3.42Å
616C79.1Confident65Low54 Ų5481.4 Ų81.437%0.36548%0.483SS..THydrogen-bonded Turntrans-95.2-5.8179.4-62.70000114C528 D614 S618C528-C616 WeakPolarHBondContact CA-SG 3.44Å; C528-C616 HydrophobicContact CB-CB 4.04Å; C528-C616 WeakPolarHBondContact CB-SG 3.49Å; C528-C616 WeakPolarHBondContact SG-CB 3.43Å; C528-C616 CovalentContact SG-SG 2.05Å; C528-C616 PolarHBondContact SG-SG 2.87Å; D614-C616 PolarHBondContact O-N 3.17Å; D614-C616 WeakPolarHBondContact OD1-CB 3.4Å; D614-C616 PolarHBondContact OD1-N 3.42Å; C616-S618 PolarHBondContact O-N 3.09Å
617S68.6Low65.5Low81 Ų8182.4 Ų82.457%0.56648%0.475SS*.  trans-70.3-1.7-173.3177.40000115.3D614 S619D614-S617 PolarHBondContact O-N 3.38Å; S617-S619 PolarHBondContact O-N 2.91Å
618S56.3Low66.1Low93 Ų9385.1 Ų85.165%0.6548%0.484SS*.  trans-76.980165.2460000109.2C616 P620C616-S618 PolarHBondContact O-N 3.09Å; S618-P620 WeakPolarHBondContact O-CD 3.01Å
619S47Very low66.4Low81 Ų8188.9 Ų88.957%0.56650%0.501SS*.  trans-76.9107.7168.3-74.90000108.8S617 G621S617-S619 PolarHBondContact O-N 2.91Å; S619-G621 PolarHBondContact O-N 2.98Å; S619-G621 VanDerWaalsContact O-N 3.08Å
620P48.8Very low66.6Low90 Ų9084.8 Ų84.858%0.58449%0.492SS*.Hα-helixtrans-61.4-12.4165.828.6-35.6000111.5S618 L622 A623 I624S618-P620 WeakPolarHBondContact O-CD 3.01Å; P620-L622 VanDerWaalsContact C-N 3.35Å; P620-L622 PolarHBondContact O-N 3.06Å; P620-A623 PolarHBondContact O-N 3.26Å; P620-I624 HydrophobicContact CB-CD1 3.96Å; P620-I624 WeakPolarHBondContact O-CB 3.47Å; P620-I624 WeakPolarHBondContact O-CD1 3.37Å; P620-I624 WeakPolarHBondContact O-CG1 3.48Å; P620-I624 PolarHBondContact O-N 3.32Å
621G52.6Low66.6Low36 Ų3688.9 Ų88.937%0.37151%0.513SS..Hα-helixtrans-58-35.5178.300000114.9S619 T625S619-G621 PolarHBondContact O-N 2.98Å; S619-G621 VanDerWaalsContact O-N 3.08Å; G621-T625 VanDerWaalsContact O-CB 3.28Å; G621-T625 WeakPolarHBondContact O-CB 3.39Å; G621-T625 VanDerWaalsContact O-CG2 3.22Å; G621-T625 WeakPolarHBondContact O-CG2 3.34Å; G621-T625 PolarHBondContact O-N 2.93Å; G621-T625 PolarHBondContact O-OG1 2.77Å
622L52.9Low66.2Low124 Ų12488 Ų8865%0.64951%0.509SS*.Hα-helixtrans-73.8-37.7179.7-105.2154.7000112.4P620 T625 L626P620-L622 VanDerWaalsContact C-N 3.35Å; P620-L622 PolarHBondContact O-N 3.06Å; L622-T625 WeakPolarHBondContact CA-OG1 3.25Å; L622-T625 PolarHBondContact O-OG1 3.41Å; L622-T625 VanDerWaalsContact O-OG1 3.11Å; L622-L626 WeakPolarHBondContact O-CB 3.48Å; L622-L626 PolarHBondContact O-N 3.25Å
623A54.9Low65.7Low59 Ų5986.9 Ų86.949%0.48850%0.495SS..Hα-helixtrans-71.5-40.7174.700000111.5P620 L626 W627P620-A623 PolarHBondContact O-N 3.26Å; A623-L626 PolarHBondContact O-N 2.02Å; A623-W627 WeakPolarHBondContact O-CB 3.12Å; A623-W627 VanDerWaalsContact O-CD1 3.3Å; A623-W627 PolarHBondContact O-N 3.26Å
624I58.4Low65.1Low94 Ų9490.8 Ų90.848%0.48252%0.516SS..Hα-helixtrans-66.9-41.2177.3-67166.4000110.9P620 W627 L628P620-I624 HydrophobicContact CB-CD1 3.96Å; P620-I624 WeakPolarHBondContact O-CB 3.47Å; P620-I624 WeakPolarHBondContact O-CD1 3.37Å; P620-I624 WeakPolarHBondContact O-CG1 3.48Å; P620-I624 PolarHBondContact O-N 3.32Å; I624-W627 PolarHBondContact O-N 2.58Å; I624-L628 HydrophobicContact CG2-CD1 3.73Å; I624-L628 HydrophobicContact CG2-CG 4.38Å; I624-L628 WeakPolarHBondContact O-CB 3.46Å; I624-L628 WeakPolarHBondContact O-CD1 3.04Å; I624-L628 VanDerWaalsContact O-CG 3.24Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 2.96Å
625T60Low64.5Low69 Ų6990.6 Ų90.642%0.42352%0.52SS..Hα-helixtrans-68.1-39.3175.747.90000112.3G621 L622 L628 L629G621-T625 VanDerWaalsContact O-CB 3.28Å; G621-T625 WeakPolarHBondContact O-CB 3.39Å; G621-T625 VanDerWaalsContact O-CG2 3.22Å; G621-T625 WeakPolarHBondContact O-CG2 3.34Å; G621-T625 PolarHBondContact O-N 2.93Å; G621-T625 PolarHBondContact O-OG1 2.77Å; L622-T625 WeakPolarHBondContact CA-OG1 3.25Å; L622-T625 PolarHBondContact O-OG1 3.41Å; L622-T625 VanDerWaalsContact O-OG1 3.11Å; T625-L628 PolarHBondContact O-N 2.81Å; T625-L629 WeakPolarHBondContact O-CB 3.24Å; T625-L629 WeakPolarHBondContact O-CD1 3.49Å; T625-L629 WeakPolarHBondContact O-CG 3.33Å; T625-L629 PolarHBondContact O-N 2.86Å
626L63.7Low63.9Low101 Ų10194.7 Ų94.753%0.52954%0.539SS..Hα-helixtrans-63.5-42.8172.5-115.198.7000112.2L622 A623 L629 L630L622-L626 WeakPolarHBondContact O-CB 3.48Å; L622-L626 PolarHBondContact O-N 3.25Å; A623-L626 PolarHBondContact O-N 2.02Å; L626-L629 PolarHBondContact O-N 3.13Å; L626-L630 WeakPolarHBondContact O-CB 3.03Å; L626-L630 PolarHBondContact O-N 2.92Å
627W67.1Low63.4Low181 Ų18195.8 Ų95.869%0.68654%0.544SS*.Hα-helixtrans-65.4-40.6177.2-94.987000112.2A623 I624 L630 L631A623-W627 WeakPolarHBondContact O-CB 3.12Å; A623-W627 VanDerWaalsContact O-CD1 3.3Å; A623-W627 PolarHBondContact O-N 3.26Å; I624-W627 PolarHBondContact O-N 2.58Å; W627-L630 PolarHBondContact O-N 3.31Å; W627-L631 HydrophobicContact CE3-CD1 4.32Å; W627-L631 WeakPolarHBondContact O-CB 3.29Å; W627-L631 PolarHBondContact O-N 3.43Å
628L69.5Low63.4Low95 Ų9594.1 Ų94.150%0.49754%0.536SS..Hα-helixtrans-66.6-36.5174.5-74.9165.5000112.1I624 T625 N632I624-L628 HydrophobicContact CG2-CD1 3.73Å; I624-L628 HydrophobicContact CG2-CG 4.38Å; I624-L628 WeakPolarHBondContact O-CB 3.46Å; I624-L628 WeakPolarHBondContact O-CD1 3.04Å; I624-L628 VanDerWaalsContact O-CG 3.24Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 2.96Å; T625-L628 PolarHBondContact O-N 2.81Å; L628-N632 WeakPolarHBondContact O-CB 3.08Å; L628-N632 PolarHBondContact O-N 2.84Å; L628-N632 PolarHBondContact O-ND2 2.03Å
629L70.5Confident63.9Low108 Ų10891.3 Ų91.357%0.56552%0.521SS*.Hα-helixtrans-65.9-42.9173.2-86.2156.7000111.8T625 L626 N632 L633T625-L629 WeakPolarHBondContact O-CB 3.24Å; T625-L629 WeakPolarHBondContact O-CD1 3.49Å; T625-L629 WeakPolarHBondContact O-CG 3.33Å; T625-L629 PolarHBondContact O-N 2.86Å; L626-L629 PolarHBondContact O-N 3.13Å; L629-N632 PolarHBondContact O-N 2.85Å; L629-L633 WeakPolarHBondContact O-CD1 3.42Å; L629-L633 WeakPolarHBondContact O-CG 3.46Å; L629-L633 PolarHBondContact O-N 3.31Å; L629-L633 VanDerWaalsContact O-N 3.08Å
630L70.9Confident64.8Low104 Ų10493.2 Ų93.255%0.54553%0.525SS..Hα-helixtrans-64.5-40.8175.2-92.9149.4000112.4L626 W627 N632 L633 L634L626-L630 WeakPolarHBondContact O-CB 3.03Å; L626-L630 PolarHBondContact O-N 2.92Å; W627-L630 PolarHBondContact O-N 3.31Å; L630-N632 VanDerWaalsContact C-N 3.34Å; L630-L633 PolarHBondContact O-N 3.48Å; L630-L634 PolarHBondContact O-N 3.17Å
631L73.4Confident65.5Low97 Ų9794.3 Ų94.351%0.50853%0.525SS..Hα-helixtrans-64.7-36.2174.7-97.1145.5000112.7W627 L633 P635W627-L631 HydrophobicContact CE3-CD1 4.32Å; W627-L631 WeakPolarHBondContact O-CB 3.29Å; W627-L631 PolarHBondContact O-N 3.43Å; L631-L633 VanDerWaalsContact C-N 3.35Å; L631-P635 VanDerWaalsContact O-CD 3.3Å; L631-P635 WeakPolarHBondContact O-CD 3.3Å
632N69.6Low66.1Low113 Ų11398.3 Ų98.360%0.60454%0.537SS*.Hα-helixtrans-76.7-18.1176-75.1-37.8000113.8L628 L629 L630L628-N632 WeakPolarHBondContact O-CB 3.08Å; L628-N632 PolarHBondContact O-N 2.84Å; L628-N632 PolarHBondContact O-ND2 2.03Å; L629-N632 PolarHBondContact O-N 2.85Å; L630-N632 VanDerWaalsContact C-N 3.34Å
633L70.6Confident66.4Low94 Ų9497.4 Ų97.449%0.49254%0.539SS..Hα-helixtrans-84.1-24.9175.3-84.8157.4000113.2L629 L630 L631 L636 V637L629-L633 WeakPolarHBondContact O-CD1 3.42Å; L629-L633 WeakPolarHBondContact O-CG 3.46Å; L629-L633 PolarHBondContact O-N 3.31Å; L629-L633 VanDerWaalsContact O-N 3.08Å; L630-L633 PolarHBondContact O-N 3.48Å; L631-L633 VanDerWaalsContact C-N 3.35Å; L633-L636 WeakPolarHBondContact O-CB 3.21Å; L633-L636 PolarHBondContact O-N 3.04Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 2.8Å
634L71Confident66.5Low113 Ų113102.5 Ų102.559%0.59255%0.552SS**Hα-helixtrans-55.2-47.5177.4-81.6164.3000114.6L630 L636 V637 A638L630-L634 PolarHBondContact O-N 3.17Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L634-L636 PolarHBondContact O-N 3.03Å; L634-V637 PolarHBondContact O-N 3.27Å; L634-A638 WeakPolarHBondContact O-CB 3.31Å; L634-A638 PolarHBondContact O-N 2.76Å
635P70.1Confident66.3Low88 Ų88109.5 Ų109.557%0.57157%0.573SS**Hα-helixtrans-68.5-27.3177.423.5-32.2000113.3L631 G639L631-P635 VanDerWaalsContact O-CD 3.3Å; L631-P635 WeakPolarHBondContact O-CD 3.3Å; P635-G639 PolarHBondContact O-N 3.24Å
636L67.8Low65.5Low113 Ų113114 Ų11459%0.59261%0.607SS**Hα-helixtrans-70.8-42176.3-114.6145.8000111.7L633 L634 L640L633-L636 WeakPolarHBondContact O-CB 3.21Å; L633-L636 PolarHBondContact O-N 3.04Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L634-L636 PolarHBondContact O-N 3.03Å; L636-L640 PolarHBondContact O-N 3.01Å; L636-L640 VanDerWaalsContact O-N 3.1Å
637V68.1Low65.6Low78 Ų78114.6 Ų114.647%0.47361%0.611SS.*Hα-helixtrans-70.6-39175.1177.10000111.1L633 L634 L640 L641L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 2.8Å; L634-V637 PolarHBondContact O-N 3.27Å; V637-L640 PolarHBondContact O-N 3.03Å; V637-L641 HydrophobicContact CG1-CD1 4.05Å; V637-L641 WeakPolarHBondContact O-CG 3.47Å; V637-L641 PolarHBondContact O-N 3.09Å
638A67.8Low65.5Low46 Ų46111.1 Ų111.138%0.3861%0.607SS.*Hα-helixtrans-63.6-40.917400000112.1L634 L641 I642L634-A638 WeakPolarHBondContact O-CB 3.31Å; L634-A638 PolarHBondContact O-N 2.76Å; A638-L641 PolarHBondContact O-N 3.26Å; A638-I642 WeakPolarHBondContact O-CD1 2.96Å; A638-I642 VanDerWaalsContact O-CG1 3.23Å; A638-I642 WeakPolarHBondContact O-CG1 3.44Å; A638-I642 PolarHBondContact O-N 3.14Å
639G68.1Low65.3Low34 Ų34112 Ų11235%0.35161%0.613SS.*Hα-helixtrans-65.1-38.9175.700000113.7P635 I642 C643P635-G639 PolarHBondContact O-N 3.24Å; G639-I642 PolarHBondContact O-N 3.19Å; G639-C643 PolarHBondContact O-N 2.92Å; G639-C643 VanDerWaalsContact O-N 3.07Å
640L66.1Low65Low121 Ų121112.2 Ų112.263%0.63462%0.616SS**Hα-helixtrans-66.1-38.3174.6-87.5157.8000112.5L636 V637 H644L636-L640 PolarHBondContact O-N 3.01Å; L636-L640 VanDerWaalsContact O-N 3.1Å; V637-L640 PolarHBondContact O-N 3.03Å; L640-H644 PolarHBondContact O-N 2.98Å
641L63.3Low64.6Low112 Ų112112.8 Ų112.859%0.58662%0.62SS**Hα-helixtrans-70.7-35.1177-73.5166.8000112.5V637 A638 H644V637-L641 HydrophobicContact CG1-CD1 4.05Å; V637-L641 WeakPolarHBondContact O-CG 3.47Å; V637-L641 PolarHBondContact O-N 3.09Å; A638-L641 PolarHBondContact O-N 3.26Å; L641-H644 PolarHBondContact O-N 3.31Å
642I63.8Low64Low121 Ų121113.8 Ų113.862%0.62163%0.628SS**Hα-helixtrans-71.4-36.3176.2-65.8162.5000111.4A638 G639 H644 W645A638-I642 WeakPolarHBondContact O-CD1 2.96Å; A638-I642 VanDerWaalsContact O-CG1 3.23Å; A638-I642 WeakPolarHBondContact O-CG1 3.44Å; A638-I642 PolarHBondContact O-N 3.14Å; G639-I642 PolarHBondContact O-N 3.19Å; I642-H644 VanDerWaalsContact C-N 3.28Å; I642-H644 PolarHBondContact O-N 2.85Å; I642-W645 PolarHBondContact O-N 3.26Å
643C59Low63.6Low104 Ų104113.9 Ų113.970%0.70363%0.63SS**Hα-helixtrans-68.9-23.2174.1-81.70000113.7G639 W645G639-C643 PolarHBondContact O-N 2.92Å; G639-C643 VanDerWaalsContact O-N 3.07Å; C643-W645 VanDerWaalsContact C-N 3.34Å
644H58.7Low63.1Low166 Ų166115.4 Ų115.477%0.76964%0.64SS**THydrogen-bonded Turntrans-84.8-11.9179.1-146.8-14.9000113.2L640 L641 I642L640-H644 PolarHBondContact O-N 2.98Å; L641-H644 PolarHBondContact O-N 3.31Å; I642-H644 VanDerWaalsContact C-N 3.28Å; I642-H644 PolarHBondContact O-N 2.85Å
645W52.6Low62.4Low241 Ų241115.6 Ų115.691%0.91364%0.644SS**  trans-109.36.7-176.7-89.537.9000113.9I642 C643I642-W645 PolarHBondContact O-N 3.26Å; C643-W645 VanDerWaalsContact C-N 3.34Å
646S44Very low61.8Low163 Ų163118.1 Ų118.1100%1.1465%0.651SS**  trans-112.10-180-160.10000113.7

Retrieved 646 of 646 residues in 445.9 ms (Link to these results)

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