A0A087Y2G4_POEFO Loading...

Cadherin 13

AlphaFold DB , UniProt , Accession A0A087Y2G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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
1L45.6Very low80.7Confident218 Ų218110.8 Ų110.8100%1.14159%0.59SS**  0120.60-67.8166.6000107.4
2P56.5Low81.7Confident111 Ų111107.1 Ų107.172%0.72159%0.587SS**  trans-57.3145.5169.126-31.2000108.8T4P2-T4 PolarHBondContact O-N 2.8Å
3T62.7Low82.6Confident92 Ų92105.2 Ų105.256%0.56457%0.569SS**  trans-59111.2174.124.90000109.4T5 Y6T3-T5 VanDerWaalsContact C-N 3.26Å; T3-Y6 VanDerWaalsContact O-CE2 3.27Å; T3-Y6 WeakPolarHBondContact O-CE2 3.42Å; T3-Y6 PolarHBondContact O-OH 3.43Å
4T77.9Confident83.2Confident87 Ų87103.3 Ų103.353%0.53456%0.558SS.*SBendtrans-82.9-6.9175.5550000112.1P2 T31 I32P2-T4 PolarHBondContact O-N 2.8Å; T4-T31 CarbonylContact O-C 3.48Å; T4-T31 WeakPolarHBondContact O-CA 3.34Å; T4-I32 PolarHBondContact O-N 3.22Å
5T87.2Confident83.7Confident61 Ų61105.7 Ų105.737%0.37457%0.567SS.*EExtended strand (participates in β ladder)trans-130.6131.3179.8-53.90000110.4T3 T29 I30 T31T3-T5 VanDerWaalsContact C-N 3.26Å; T5-T29 HydrophobicContact CG2-CG2 3.4Å; T5-T29 VanDerWaalsContact CG2-CG2 3.4Å; T5-I30 CarbonylContact C-O 3.5Å; T5-I30 WeakPolarHBondContact CA-O 3.4Å; T5-T31 HydrophobicContact CG2-CG2 4.28Å
6Y90.4Very high84Confident109 Ų109106.3 Ų106.343%0.42759%0.591SS.*EExtended strand (participates in β ladder)trans-118.9131.7173.8-63.6-97000108.8T3 T29 I30 I32T3-Y6 VanDerWaalsContact O-CE2 3.27Å; T3-Y6 WeakPolarHBondContact O-CE2 3.42Å; T3-Y6 PolarHBondContact O-OH 3.43Å; Y6-T29 CarbonylContact O-C 3.54Å; Y6-T29 WeakPolarHBondContact O-CA 3.35Å; Y6-I30 PolarHBondContact N-O 2.87Å; Y6-I30 PolarHBondContact O-N 2.94Å; Y6-I32 HydrophobicContact CD2-CD1 4.27Å; Y6-I32 HydrophobicContact CD2-CG1 4.42Å; Y6-I32 HydrophobicContact CE2-CD1 3.54Å; Y6-I32 HydrophobicContact CE2-CG1 4.14Å
7E91.8Very high84.1Confident148 Ų148102.7 Ų102.769%0.69258%0.584SS**EExtended strand (participates in β ladder)trans-106.8120.7172.9-67.4-173.6168.800109.1T27 T29E7-T27 HydrophobicContact CB-CG2 4.36Å; E7-T29 HydrophobicContact CG-CG2 4.38Å
8L92.9Very high84.2Confident83 Ų8399.8 Ų99.844%0.43557%0.571SS.*EExtended strand (participates in β ladder)trans-113129.6177.7-61.4179.1000109.4I10 T27 A28 I30L8-I10 HydrophobicContact CB-CD1 4.04Å; L8-T27 CarbonylContact O-C 3.6Å; L8-T27 WeakPolarHBondContact O-CA 3.43Å; L8-A28 PolarHBondContact N-O 2.95Å; L8-A28 PolarHBondContact O-N 3.35Å; L8-I30 HydrophobicContact CD1-CD1 3.54Å; L8-I30 HydrophobicContact CG-CD1 4.32Å
9E94.4Very high84.2Confident136 Ų136104.3 Ų104.364%0.63659%0.587SS**EExtended strand (participates in β ladder)trans-83118166.8-172.7176.8-165.500109.2
10I94.6Very high84.3Confident89 Ų89105.5 Ų105.546%0.45660%0.596SS.*EExtended strand (participates in β ladder)trans-100.1122.7178.7-51.4-56.7000108.4L8 T25 A26 A28L8-I10 HydrophobicContact CB-CD1 4.04Å; I10-T25 CarbonylContact O-C 3.53Å; I10-T25 VanDerWaalsContact O-CA 3.27Å; I10-T25 WeakPolarHBondContact O-CA 3.33Å; I10-A26 PolarHBondContact N-O 3.24Å; I10-A26 PolarHBondContact O-N 3.46Å; I10-A28 HydrophobicContact CD1-CB 4.34Å; I10-A28 HydrophobicContact CG1-CB 3.82Å
11V93.3Very high84.4Confident85 Ų85100.9 Ų100.952%0.51557%0.572SS.*EExtended strand (participates in β ladder)trans-108.6120.4177.1-172.80000109.2T23 G24 T25V11-T23 HydrophobicContact CG1-CG2 4.1Å; V11-G24 WeakPolarHBondContact CA-O 3.38Å; V11-T25 HydrophobicContact CB-CG2 4.49Å; V11-T25 HydrophobicContact CG1-CG2 4.29Å; V11-T25 HydrophobicContact CG2-CG2 3.92Å
12A92.9Very high86.6Confident66 Ų6697 Ų9755%0.54555%0.552SS.*EExtended strand (participates in β ladder)trans-101132.6171.800000109.6T23 G24A12-T23 CarbonylContact O-C 3.55Å; A12-T23 VanDerWaalsContact O-CA 3.25Å; A12-T23 WeakPolarHBondContact O-CA 3.44Å; A12-G24 PolarHBondContact N-O 3.41Å; A12-G24 PolarHBondContact O-N 3.48Å
13K93.7Very high88.2Confident83 Ų8396.1 Ų96.136%0.36154%0.544SS..EExtended strand (participates in β ladder)trans-126.8131.1178.9-164.1171.6-164.2-170.10110.8S18 E19 G21 L22 T23K13-S18 WeakPolarHBondContact CE-O 3.44Å; K13-S18 PolarHBondContact NZ-O 3.17Å; K13-E19 PolarHBondContact NZ-O 2.92Å; K13-G21 WeakPolarHBondContact CE-O 3.4Å; K13-L22 WeakPolarHBondContact CA-O 3.26Å; K13-T23 HydrophobicContact CB-CG2 4.01Å; K13-T23 HydrophobicContact CD-CG2 3.8Å; K13-T23 HydrophobicContact CG-CG2 3.69Å
14D90.6Very high89.7Confident78 Ų7893.7 Ų93.742%0.41754%0.538SS..SBendtrans-75.1-177.817871.812.6000112.7A16 G17 G21 L22D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 2.82Å; D14-G17 PolarHBondContact O-N 2.78Å; D14-G21 VanDerWaalsContact OD1-C 3.28Å; D14-G21 WeakPolarHBondContact OD1-CA 3.49Å; D14-L22 PolarHBondContact N-O 2.81Å; D14-L22 VanDerWaalsContact N-O 3.13Å; D14-L22 PolarHBondContact OD1-N 3.4Å
15M91.2Very high90.5Very high139 Ų13993.8 Ų93.869%0.68554%0.538SS*.G310 helixtrans54.841.1179.7-63.7-65.9-71.700113.9G17 S18M15-G17 PolarHBondContact O-N 3.19Å; M15-G17 VanDerWaalsContact O-N 3.15Å; M15-S18 WeakPolarHBondContact O-CB 3.42Å; M15-S18 PolarHBondContact O-N 2.81Å; M15-S18 VanDerWaalsContact O-N 3.1Å
16A88.1Confident90.8Very high116 Ų11693.8 Ų93.896%0.95954%0.544SS*.G310 helixtrans53.230.6-17700000113.9D14D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 2.82Å
17G85.3Confident91Very high45 Ų4593.4 Ų93.446%0.46455%0.554SS.*G310 helixtrans86.312.7178.800000115D14 M15D14-G17 PolarHBondContact O-N 2.78Å; M15-G17 PolarHBondContact O-N 3.19Å; M15-G17 VanDerWaalsContact O-N 3.15Å
18S86.8Confident91.1Very high50 Ų5088.1 Ų88.135%0.3554%0.535SS..  trans-52.6147.9177.9-1780000112.7K13 M15 V20 G21K13-S18 WeakPolarHBondContact CE-O 3.44Å; K13-S18 PolarHBondContact NZ-O 3.17Å; M15-S18 WeakPolarHBondContact O-CB 3.42Å; M15-S18 PolarHBondContact O-N 2.81Å; M15-S18 VanDerWaalsContact O-N 3.1Å; S18-V20 PolarHBondContact O-N 3.14Å; S18-V20 VanDerWaalsContact O-N 3.13Å; S18-V20 WeakPolarHBondContact OG-CG2 3.49Å; S18-G21 PolarHBondContact O-N 2.82Å
19E83.9Confident91Very high186 Ų18688 Ų8887%0.86954%0.538SS*.THydrogen-bonded Turntrans-57.6-31.1-179.5-69.3-154.4151.900113K13K13-E19 PolarHBondContact NZ-O 2.92Å
20V86.6Confident90.8Very high127 Ų12785.7 Ų85.777%0.7753%0.529SS*.THydrogen-bonded Turntrans-86.7-2.2178.2-620000114.6S18S18-V20 PolarHBondContact O-N 3.14Å; S18-V20 VanDerWaalsContact O-N 3.13Å; S18-V20 WeakPolarHBondContact OG-CG2 3.49Å
21G85.6Confident90.5Very high10 Ų1085.8 Ų85.810%0.10353%0.534CS..SBendtrans-71.4149.2-179.500000113.4K13 D14 S18K13-G21 WeakPolarHBondContact CE-O 3.4Å; D14-G21 VanDerWaalsContact OD1-C 3.28Å; D14-G21 WeakPolarHBondContact OD1-CA 3.49Å; S18-G21 PolarHBondContact O-N 2.82Å
22L91.3Very high90.2Very high137 Ų13786.7 Ų86.772%0.71754%0.535SS*.  trans-76.3143.7175.5-63.7176.7000110.6K13 D14K13-L22 WeakPolarHBondContact CA-O 3.26Å; D14-L22 PolarHBondContact N-O 2.81Å; D14-L22 VanDerWaalsContact N-O 3.13Å; D14-L22 PolarHBondContact OD1-N 3.4Å
23T92Very high89.9Confident91 Ų9188.5 Ų88.556%0.55854%0.539SS*.EExtended strand (participates in β ladder)trans-112.1140.9179.254.20000112.1V11 A12 K13V11-T23 HydrophobicContact CG1-CG2 4.1Å; A12-T23 CarbonylContact O-C 3.55Å; A12-T23 VanDerWaalsContact O-CA 3.25Å; A12-T23 WeakPolarHBondContact O-CA 3.44Å; K13-T23 HydrophobicContact CB-CG2 4.01Å; K13-T23 HydrophobicContact CD-CG2 3.8Å; K13-T23 HydrophobicContact CG-CG2 3.69Å
24G93Very high89.7Confident41 Ų4187.1 Ų87.142%0.42354%0.536SS..EExtended strand (participates in β ladder)trans-122.2148.5163.400000110.2V11 A12V11-G24 WeakPolarHBondContact CA-O 3.38Å; A12-G24 PolarHBondContact N-O 3.41Å; A12-G24 PolarHBondContact O-N 3.48Å
25T94.3Very high89.7Confident90 Ų9089.9 Ų89.955%0.55254%0.544SS*.EExtended strand (participates in β ladder)trans-117.9151.4177.967.30000111.5I10 V11I10-T25 CarbonylContact O-C 3.53Å; I10-T25 VanDerWaalsContact O-CA 3.27Å; I10-T25 WeakPolarHBondContact O-CA 3.33Å; V11-T25 HydrophobicContact CB-CG2 4.49Å; V11-T25 HydrophobicContact CG1-CG2 4.29Å; V11-T25 HydrophobicContact CG2-CG2 3.92Å
26A95Very high89.9Confident60 Ų6083.5 Ų83.550%0.49651%0.513SS..EExtended strand (participates in β ladder)trans-146.9150172.400000109.4I10I10-A26 PolarHBondContact N-O 3.24Å; I10-A26 PolarHBondContact O-N 3.46Å
27T94.8Very high90.2Very high102 Ų10281.7 Ų81.763%0.62649%0.487SS*.EExtended strand (participates in β ladder)trans-95.6127.6174.5-500000109.7E7 L8E7-T27 HydrophobicContact CB-CG2 4.36Å; L8-T27 CarbonylContact O-C 3.6Å; L8-T27 WeakPolarHBondContact O-CA 3.43Å
28A92.4Very high90.6Very high36 Ų3682.8 Ų82.830%0.29848%0.48SS..EExtended strand (participates in β ladder)trans-105.9116.5171.100000109.3L8 I10L8-A28 PolarHBondContact N-O 2.95Å; L8-A28 PolarHBondContact O-N 3.35Å; I10-A28 HydrophobicContact CD1-CB 4.34Å; I10-A28 HydrophobicContact CG1-CB 3.82Å
29T91.6Very high91Very high82 Ų8281.2 Ų81.250%0.50347%0.47SS..EExtended strand (participates in β ladder)trans-93.3116.9173.6-50.90000108.8T5 Y6 E7T5-T29 HydrophobicContact CG2-CG2 3.4Å; T5-T29 VanDerWaalsContact CG2-CG2 3.4Å; Y6-T29 CarbonylContact O-C 3.54Å; Y6-T29 WeakPolarHBondContact O-CA 3.35Å; E7-T29 HydrophobicContact CG-CG2 4.38Å
30I90.6Very high91.6Very high86 Ų8672.3 Ų72.344%0.44143%0.428SS..EExtended strand (participates in β ladder)trans-103115.8176.3-57.7174.2000107.9T5 Y6 L8T5-I30 CarbonylContact C-O 3.5Å; T5-I30 WeakPolarHBondContact CA-O 3.4Å; Y6-I30 PolarHBondContact N-O 2.87Å; Y6-I30 PolarHBondContact O-N 2.94Å; L8-I30 HydrophobicContact CD1-CD1 3.54Å; L8-I30 HydrophobicContact CG-CD1 4.32Å
31T87.6Confident92.1Very high92 Ų9271 Ų7156%0.56441%0.413SS*.EExtended strand (participates in β ladder)trans-101124.5173.453.20000109.7T4 T5T4-T31 CarbonylContact O-C 3.48Å; T4-T31 WeakPolarHBondContact O-CA 3.34Å; T5-T31 HydrophobicContact CG2-CG2 4.28Å
32I87.5Confident92.7Very high103 Ų10371.2 Ų71.253%0.52841%0.412SS..PPolyproline II helixtrans-80.5117.4171.8-57.7-175.7000107.6T4 Y6T4-I32 PolarHBondContact O-N 3.22Å; Y6-I32 HydrophobicContact CD2-CD1 4.27Å; Y6-I32 HydrophobicContact CD2-CG1 4.42Å; Y6-I32 HydrophobicContact CE2-CD1 3.54Å; Y6-I32 HydrophobicContact CE2-CG1 4.14Å
33T86.8Confident92.9Very high105 Ų10567.9 Ų67.964%0.64440%0.397SS*.PPolyproline II helixtrans-83.4138173.857.10000110.3
34D88.7Confident93.1Very high53 Ų5368.6 Ų68.628%0.28339%0.394SS..PPolyproline II helixtrans-60.3149.5175.3-170.950.6000112.9D69 T72D34-D69 HydrophobicContact CB-CB 3.83Å; D34-D69 WeakPolarHBondContact OD2-CB 3.41Å; D34-D69 PolarHBondContact OD2-N 2.02Å; D34-D69 VanDerWaalsContact OD2-N 3.12Å; D34-T72 HydrophobicContact CB-CG2 4.2Å; D34-T72 PolarHBondContact OD2-OG1 3.06Å
35K91.8Very high93.3Very high136 Ų13671.7 Ų71.759%0.59141%0.406SS*.  trans-139.6149.6173.5-75-63.1179.4-169.30107.8D37 V130K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å; K35-V130 HydrophobicContact CB-CG1 4.3Å
36N94.7Very high93.4Very high6 Ų670.8 Ų70.83%0.03240%0.398CS..SBendtrans-70.783.6176.6-171.5-0.3000111.4H38 D68 A74 N125 D127 L129 V130N36-H38 PolarHBondContact OD1-O 3.08Å; N36-D68 VanDerWaalsContact CA-OD2 3.26Å; N36-D68 WeakPolarHBondContact CA-OD2 3.08Å; N36-D68 PolarHBondContact OD1-OD2 2.83Å; N36-D68 VanDerWaalsContact OD1-OD2 3.06Å; N36-A74 HydrophobicContact CB-CB 3.59Å; N36-N125 VanDerWaalsContact ND2-CB 3.33Å; N36-N125 WeakPolarHBondContact ND2-CB 3.14Å; N36-N125 VanDerWaalsContact ND2-CG 3.33Å; N36-N125 PolarHBondContact ND2-OD1 3.06Å; N36-N125 PolarHBondContact OD1-OD1 3.33Å; N36-D127 HydrophobicContact CB-CB 4.48Å; N36-D127 PolarHBondContact ND2-O 3.1Å; N36-L129 WeakPolarHBondContact OD1-CD2 3.28Å; N36-V130 PolarHBondContact O-N 3.4Å
37D93.8Very high93.6Very high77 Ų7768.8 Ų68.841%0.41238%0.378SS..  trans-114.2-0.7177.470.4-10.4000113.3K35 D68 V130K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å; D37-D68 PolarHBondContact N-OD2 2.01Å; D37-V130 HydrophobicContact CB-CG2 3.93Å
38H93.4Very high93.7Very high69 Ų6971 Ų7132%0.31938%0.381SS..SBendtrans-121114.9168.7-60.686000111N36 R67 D68N36-H38 PolarHBondContact OD1-O 3.08Å; H38-R67 HydrophobicContact CB-CB 4Å; H38-D68 WeakPolarHBondContact CB-OD1 3Å; H38-D68 IonicContact CG-OD1 3.5Å; H38-D68 PolarHBondContact N-OD1 3.46Å; H38-D68 PolarHBondContact N-OD2 3.48Å; H38-D68 IonicContact ND1-OD1 2.85Å; H38-D68 PolarHBondContact ND1-OD1 2.91Å
39A95.2Very high93.9Very high16 Ų1669.7 Ų69.713%0.13237%0.37CS..  trans-70.2147.3172.800000111.2L129 Y135A39-L129 HydrophobicContact CB-CD1 4.11Å; A39-L129 HydrophobicContact CB-CD2 4.04Å; A39-Y135 HydrophobicContact CB-CD1 4.01Å; A39-Y135 HydrophobicContact CB-CE1 4.33Å
40P96.4Very high94.2Very high0 Ų074 Ų740%038%0.378CS..  trans-70.8134.4176.825.5-32000109.1D66 V123 N125 Y135 S139P40-D66 HydrophobicContact CB-CB 4.3Å; P40-V123 HydrophobicContact CB-CG1 4.07Å; P40-V123 HydrophobicContact CB-CG2 3.97Å; P40-V123 HydrophobicContact CG-CB 4.45Å; P40-V123 HydrophobicContact CG-CG1 4.02Å; P40-V123 HydrophobicContact CG-CG2 3.85Å; P40-N125 VanDerWaalsContact CD-CG 3.48Å; P40-N125 VanDerWaalsContact CD-ND2 3.29Å; P40-N125 WeakPolarHBondContact CD-ND2 3.39Å; P40-N125 WeakPolarHBondContact CD-OD1 3.34Å; P40-N125 WeakPolarHBondContact CG-ND2 3.49Å; P40-Y135 HydrophobicContact CG-CE1 4.48Å; P40-S139 PolarHBondContact O-OG 2.79Å
41E96.9Very high94.5Very high98 Ų9870.6 Ų70.646%0.45836%0.361SS..EExtended strand (participates in β ladder)trans-120.7128.9-177.9-65.6-172.7177.100110T43 V64 D65E41-T43 PolarHBondContact O-N 2.78Å; E41-V64 CarbonylContact O-C 3.59Å; E41-V64 WeakPolarHBondContact O-CA 3.49Å; E41-D65 PolarHBondContact N-O 3.48Å; E41-D65 PolarHBondContact O-N 3.48Å
42F98.1Very high94.8Very high16 Ų1670.5 Ų70.57%0.0735%0.353CS..EExtended strand (participates in β ladder)trans-61.9136.4170.4-71.8-76.6000110.2H44 F47 L62 V64 Y79 I121 V123 S138 A141F42-H44 WeakPolarHBondContact CB-O 3.09Å; F42-H44 PolarHBondContact O-N 2.81Å; F42-F47 HydrophobicContact CB-CE2 4.25Å; F42-F47 AromaticContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CZ 4.11Å; F42-F47 HydrophobicContact CG-CE2 4.27Å; F42-L62 HydrophobicContact CD1-CB 4.4Å; F42-L62 HydrophobicContact CE1-CB 3.88Å; F42-L62 HydrophobicContact CE1-CD1 4.29Å; F42-V64 HydrophobicContact CD1-CG1 3.58Å; F42-V64 HydrophobicContact CE1-CG1 3.77Å; F42-V64 HydrophobicContact CG-CG1 4.16Å; F42-V64 HydrophobicContact CZ-CG1 4.49Å; F42-Y79 HydrophobicContact CE1-CD1 4.19Å; F42-Y79 AromaticContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CZ-CD1 4.11Å; F42-Y79 HydrophobicContact CZ-CE1 4.07Å; F42-I121 HydrophobicContact CZ-CB 4.3Å; F42-I121 HydrophobicContact CZ-CG2 3.97Å; F42-V123 HydrophobicContact CD2-CG1 3.99Å; F42-V123 HydrophobicContact CE2-CB 3.98Å; F42-V123 HydrophobicContact CE2-CG1 3.57Å; F42-V123 HydrophobicContact CZ-CB 3.84Å; F42-V123 HydrophobicContact CZ-CG1 3.89Å; F42-S138 WeakPolarHBondContact CD2-O 3.31Å; F42-S138 PolarHBondContact N-O 2.94Å; F42-A141 HydrophobicContact CB-CB 3.97Å; F42-A141 HydrophobicContact CD1-CB 3.95Å; F42-A141 HydrophobicContact CD2-CB 3.44Å; F42-A141 VanDerWaalsContact CD2-CB 3.44Å; F42-A141 HydrophobicContact CE1-CB 4.29Å; F42-A141 HydrophobicContact CE2-CB 3.82Å; F42-A141 HydrophobicContact CG-CB 3.51Å; F42-A141 HydrophobicContact CZ-CB 4.24Å
43T96.9Very high95.1Very high66 Ų6666 Ų6641%0.40533%0.33SS..SBendtrans-65.1-25.9177.460.80000112.3E41 T63E41-T43 PolarHBondContact O-N 2.78Å; T43-T63 PolarHBondContact N-O 3.32Å; T43-T63 PolarHBondContact OG1-O 2.89Å; T43-T63 PolarHBondContact OG1-OG1 3.13Å
44H96.3Very high95.4Very high106 Ų10663.2 Ų63.249%0.49132%0.322SS..  trans-135.8142.3178.8-56.581.8000110.3F42 L46 F47F42-H44 WeakPolarHBondContact CB-O 3.09Å; F42-H44 PolarHBondContact O-N 2.81Å; H44-L46 VanDerWaalsContact C-N 3.28Å; H44-L46 PolarHBondContact O-N 3.44Å; H44-F47 HydrophobicContact CB-CE1 4.47Å; H44-F47 HydrophobicContact CB-CE2 4.38Å; H44-F47 HydrophobicContact CB-CZ 4.16Å; H44-F47 WeakPolarHBondContact O-CE2 3.4Å
45P96.2Very high95.6Very high106 Ų10663 Ų6369%0.68833%0.325SS*.SBendtrans-76-16.4176.631.2-35.9000113.4T142P45-T142 PolarHBondContact O-N 2.83Å
46L97.6Very high95.7Very high72 Ų7264.6 Ų64.638%0.37733%0.327SS..EExtended strand (participates in β ladder)trans-134.9129.3-178.9175.964.7000109.9H44 E48 T142 H144H44-L46 VanDerWaalsContact C-N 3.28Å; H44-L46 PolarHBondContact O-N 3.44Å; L46-E48 HydrophobicContact CG-CG 4.42Å; L46-T142 CarbonylContact C-O 3.47Å; L46-T142 WeakPolarHBondContact CA-O 3.23Å; L46-T142 HydrophobicContact CD1-CG2 4.15Å; L46-H144 HydrophobicContact CD1-CB 4.4Å
47F98.1Very high95.8Very high18 Ų1865.9 Ų65.98%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-114.8142.8168.8-63.7-95000109.5F42 H44 L62 A141 T142 V143 H144F42-F47 HydrophobicContact CB-CE2 4.25Å; F42-F47 AromaticContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CZ 4.11Å; F42-F47 HydrophobicContact CG-CE2 4.27Å; H44-F47 HydrophobicContact CB-CE1 4.47Å; H44-F47 HydrophobicContact CB-CE2 4.38Å; H44-F47 HydrophobicContact CB-CZ 4.16Å; H44-F47 WeakPolarHBondContact O-CE2 3.4Å; F47-L62 HydrophobicContact CB-CD2 4.03Å; F47-L62 HydrophobicContact CD1-CD2 4.03Å; F47-L62 HydrophobicContact CD2-CD2 3.79Å; F47-L62 HydrophobicContact CE1-CD2 4.47Å; F47-L62 HydrophobicContact CE2-CD2 4.25Å; F47-L62 HydrophobicContact CG-CD2 3.67Å; F47-A141 HydrophobicContact CD2-CB 4.03Å; F47-A141 HydrophobicContact CE2-CB 3.83Å; F47-T142 PolarHBondContact N-O 2.91Å; F47-V143 HydrophobicContact CB-CG1 4.23Å; F47-V143 HydrophobicContact CB-CG2 4.22Å; F47-V143 CarbonylContact O-C 3.47Å; F47-V143 WeakPolarHBondContact O-CA 3.46Å; F47-H144 PolarHBondContact O-N 3.08Å
48E97.8Very high95.9Very high148 Ų14866.1 Ų66.169%0.69235%0.346SS*.EExtended strand (participates in β ladder)trans-119.4136.4177.3-62.8-172.3154.200109.7L46 H144L46-E48 HydrophobicContact CG-CG 4.42Å; E48-H144 WeakPolarHBondContact CA-O 3.44Å; E48-H144 HydrophobicContact CG-CB 4.45Å
49A96.6Very high96Very high8 Ų864.2 Ų64.27%0.06634%0.34CS..EExtended strand (participates in β ladder)trans-134.6149.2177.900000110.1V59 V60 H144 V145 T146A49-V59 HydrophobicContact CB-CB 4.29Å; A49-V59 HydrophobicContact CB-CG2 4.45Å; A49-V60 HydrophobicContact CB-CB 3.98Å; A49-V60 HydrophobicContact CB-CG1 4.11Å; A49-H144 PolarHBondContact N-O 2.91Å; A49-V145 HydrophobicContact CB-CG2 4.38Å; A49-V145 WeakPolarHBondContact O-CA 3.42Å; A49-T146 PolarHBondContact O-N 2.86Å
50R96.6Very high96.1Very high174 Ų17464.6 Ų64.666%0.65734%0.34SS*.EExtended strand (participates in β ladder)trans-123.1134.2172.5-72.3165176.6-96.1-3.4108.2T146 E148R50-T146 WeakPolarHBondContact CA-O 3.47Å; R50-E148 HydrophobicContact CB-CG 4.4Å; R50-E148 WeakPolarHBondContact CD-OE1 3.24Å; R50-E148 IonicContact CZ-OE1 3.96Å; R50-E148 IonicContact NH1-OE1 2.99Å; R50-E148 PolarHBondContact NH1-OE1 2.88Å
51V96.6Very high96.1Very high14 Ų1467.8 Ų67.89%0.08536%0.357CS..EExtended strand (participates in β ladder)trans-142.1132.3179.365.20000108.5V59 V105 L109 V145 T146 V147 E148V51-V59 HydrophobicContact CB-CG1 3.78Å; V51-V59 HydrophobicContact CG1-CG1 4.4Å; V51-V59 HydrophobicContact CG2-CG1 3.67Å; V51-V105 HydrophobicContact CG2-CG2 4.41Å; V51-L109 HydrophobicContact CG1-CD1 3.82Å; V51-V145 HydrophobicContact CG1-CG1 3.67Å; V51-T146 PolarHBondContact N-O 3.04Å; V51-V147 CarbonylContact O-C 3.52Å; V51-V147 VanDerWaalsContact O-CA 3.31Å; V51-V147 WeakPolarHBondContact O-CA 3.43Å; V51-E148 PolarHBondContact O-N 3.34Å
52H95.3Very high96.1Very high89 Ų8963.1 Ų63.141%0.41234%0.336SS..EExtended strand (participates in β ladder)trans-64.8142169.6-72.2-56.6000110.2S55 E148 I150H52-S55 WeakPolarHBondContact O-CB 3.2Å; H52-S55 PolarHBondContact O-N 2.76Å; H52-S55 PolarHBondContact O-OG 2.84Å; H52-E148 WeakPolarHBondContact CA-O 3.32Å; H52-E148 IonicContact CE1-OE2 2.74Å; H52-E148 PolarHBondContact CE1-OE2 2.9Å; H52-E148 VanDerWaalsContact CE1-OE2 3.28Å; H52-E148 IonicContact ND1-OE2 2.88Å; H52-E148 IonicContact NE2-OE2 3.02Å; H52-I150 HydrophobicContact CB-CD1 3.51Å; H52-I150 HydrophobicContact CB-CG1 4.16Å
53E94.3Very high96.1Very high10 Ų1064.2 Ų64.25%0.04734%0.344CS..THydrogen-bonded Turntrans-59.7162.4172.279.7-171.311900112.4S55 L109 Y111 V147 E148 D149 I150E53-S55 PolarHBondContact O-N 3.49Å; E53-S55 PolarHBondContact O-OG 2.83Å; E53-L109 WeakPolarHBondContact CB-O 3.21Å; E53-Y111 VanDerWaalsContact OE2-CB 3.32Å; E53-Y111 WeakPolarHBondContact OE2-CB 3.35Å; E53-Y111 PolarHBondContact OE2-N 3.37Å; E53-V147 HydrophobicContact CB-CG1 3.7Å; E53-E148 PolarHBondContact N-O 2.87Å; E53-E148 VanDerWaalsContact N-O 3.09Å; E53-D149 WeakPolarHBondContact OE1-CA 3.31Å; E53-I150 HydrophobicContact CG-CB 4.28Å; E53-I150 PolarHBondContact OE1-N 3.27Å
54G91.6Very high96.1Very high46 Ų4662.3 Ų62.347%0.47433%0.332SS..THydrogen-bonded Turntrans70.7-20.2-174.200000115.2L109G54-L109 PolarHBondContact N-O 2.98Å
55S93.3Very high96.1Very high49 Ų4961.8 Ų61.834%0.34333%0.332SS..  trans-76.9154.2-173.5-60.20000112.8H52 E53 V105H52-S55 WeakPolarHBondContact O-CB 3.2Å; H52-S55 PolarHBondContact O-N 2.76Å; H52-S55 PolarHBondContact O-OG 2.84Å; E53-S55 PolarHBondContact O-N 3.49Å; E53-S55 PolarHBondContact O-OG 2.83Å; S55-V105 WeakPolarHBondContact O-CG1 3.21Å
56R95.1Very high96Very high168 Ų16857.2 Ų57.263%0.63430%0.302SS*.  trans-132.3154.9175.2-68.4-176.5178.385.8-9.6110.3V105 V106R56-V105 WeakPolarHBondContact CA-O 3.41Å; R56-V106 PolarHBondContact NE-O 3.14Å
57G95.2Very high95.8Very high34 Ų3462.6 Ų62.635%0.35132%0.317SS..EExtended strand (participates in β ladder)trans120.9-172.8177.600000113V59 S104 V105G57-V59 PolarHBondContact O-N 2.99Å; G57-S104 CarbonylContact O-C 3.58Å; G57-S104 WeakPolarHBondContact O-CA 3.28Å; G57-S104 WeakPolarHBondContact O-CB 3.44Å; G57-V105 PolarHBondContact N-O 2.81Å; G57-V105 VanDerWaalsContact N-O 3.09Å; G57-V105 PolarHBondContact O-N 2.85Å
58V96Very high95.6Very high82 Ų8262 Ų6250%0.49732%0.315SS..EExtended strand (participates in β ladder)trans-68.7128.6-177.3-177.40000110M102 L103V58-M102 HydrophobicContact CG1-CB 4.1Å; V58-M102 HydrophobicContact CG2-CB 4.17Å; V58-M102 HydrophobicContact CG2-SD 4.46Å; V58-L103 CarbonylContact C-O 3.56Å; V58-L103 WeakPolarHBondContact CA-O 3.31Å
59V95.8Very high95.3Very high29 Ų2958.6 Ų58.618%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-106.6-31.4-178.9-67.70000112.9A49 V51 G57 L103 V105A49-V59 HydrophobicContact CB-CB 4.29Å; A49-V59 HydrophobicContact CB-CG2 4.45Å; V51-V59 HydrophobicContact CB-CG1 3.78Å; V51-V59 HydrophobicContact CG1-CG1 4.4Å; V51-V59 HydrophobicContact CG2-CG1 3.67Å; G57-V59 PolarHBondContact O-N 2.99Å; V59-L103 HydrophobicContact CG2-CB 4.32Å; V59-L103 HydrophobicContact CG2-CD2 4.04Å; V59-L103 HydrophobicContact CG2-CG 3.97Å; V59-L103 VanDerWaalsContact CG2-O 3.32Å; V59-L103 WeakPolarHBondContact CG2-O 2.99Å; V59-L103 PolarHBondContact N-O 2.91Å; V59-V105 HydrophobicContact CG1-CG2 3.63Å
60V96.9Very high95.1Very high24 Ų2461.9 Ų61.915%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-158.5145.3176.364.90000110.8A49 L62 L103 V143A49-V60 HydrophobicContact CB-CB 3.98Å; A49-V60 HydrophobicContact CB-CG1 4.11Å; V60-L62 HydrophobicContact CG1-CD2 4.03Å; V60-L103 HydrophobicContact CG1-CB 3.93Å; V60-L103 HydrophobicContact CG1-CD2 3.93Å; V60-L103 PolarHBondContact N-O 2.73Å; V60-L103 PolarHBondContact O-N 3.22Å; V60-V143 HydrophobicContact CG1-CG1 4.02Å
61N97.1Very high94.7Very high67 Ų6757 Ų5736%0.35832%0.319SS..EExtended strand (participates in β ladder)trans-94.8124.1168.9-69.73000109.5E100 G101N61-E100 HydrophobicContact CB-CB 4.45Å; N61-E100 WeakPolarHBondContact CB-OE2 3.36Å; N61-E100 PolarHBondContact ND2-OE2 2.86Å; N61-G101 CarbonylContact C-O 3.56Å; N61-G101 WeakPolarHBondContact CA-O 2.93Å
62L97.8Very high94.5Very high0 Ų058 Ų580%033%0.325CS..EExtended strand (participates in β ladder)trans-89.6116.9176.5-50.8176.4000108.2F42 F47 V60 Y79 V92 E100 G101 I121 V143F42-L62 HydrophobicContact CD1-CB 4.4Å; F42-L62 HydrophobicContact CE1-CB 3.88Å; F42-L62 HydrophobicContact CE1-CD1 4.29Å; F47-L62 HydrophobicContact CB-CD2 4.03Å; F47-L62 HydrophobicContact CD1-CD2 4.03Å; F47-L62 HydrophobicContact CD2-CD2 3.79Å; F47-L62 HydrophobicContact CE1-CD2 4.47Å; F47-L62 HydrophobicContact CE2-CD2 4.25Å; F47-L62 HydrophobicContact CG-CD2 3.67Å; V60-L62 HydrophobicContact CG1-CD2 4.03Å; L62-Y79 HydrophobicContact CB-CE1 4.4Å; L62-Y79 HydrophobicContact CD1-CD1 4.48Å; L62-V92 HydrophobicContact CD1-CG2 4.22Å; L62-E100 CarbonylContact O-C 3.54Å; L62-E100 WeakPolarHBondContact O-CA 3.33Å; L62-G101 WeakPolarHBondContact CB-O 3.22Å; L62-G101 WeakPolarHBondContact CG-O 3.19Å; L62-G101 PolarHBondContact N-O 3.14Å; L62-G101 PolarHBondContact O-N 3.18Å; L62-I121 HydrophobicContact CD1-CB 4.25Å; L62-I121 HydrophobicContact CD1-CG1 4.02Å; L62-I121 HydrophobicContact CD1-CG2 3.8Å; L62-V143 HydrophobicContact CD2-CG2 3.71Å
63T97.6Very high94.3Very high39 Ų3954.1 Ų54.124%0.23931%0.309CS..PPolyproline II helixtrans-96.1134.8-177.546.90000110.4T43 E100T43-T63 PolarHBondContact N-O 3.32Å; T43-T63 PolarHBondContact OG1-O 2.89Å; T43-T63 PolarHBondContact OG1-OG1 3.13Å; T63-E100 HydrophobicContact CG2-CG 3.96Å
64V96.8Very high94.3Very high26 Ų2653.7 Ų53.716%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-127.5151.3178.2-59.50000110.2E41 F42 A77 Y79 V123E41-V64 CarbonylContact O-C 3.59Å; E41-V64 WeakPolarHBondContact O-CA 3.49Å; F42-V64 HydrophobicContact CD1-CG1 3.58Å; F42-V64 HydrophobicContact CE1-CG1 3.77Å; F42-V64 HydrophobicContact CG-CG1 4.16Å; F42-V64 HydrophobicContact CZ-CG1 4.49Å; V64-A77 HydrophobicContact CG2-CB 4.35Å; V64-Y79 HydrophobicContact CG1-CE1 3.81Å; V64-Y79 WeakPolarHBondContact CG1-OH 3.41Å; V64-Y79 WeakPolarHBondContact CG2-OH 3.38Å; V64-V123 HydrophobicContact CG1-CB 4.46Å; V64-V123 HydrophobicContact CG1-CG1 4.19Å; V64-V123 HydrophobicContact CG1-CG2 4.27Å
65D95.6Very high94.4Very high94 Ų9454.1 Ų54.150%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-111.8134.4168.8-170.142.4000108.6E41E41-D65 PolarHBondContact N-O 3.48Å; E41-D65 PolarHBondContact O-N 3.48Å
66D94.6Very high94.5Very high11 Ų1156.7 Ų56.76%0.05930%0.297CS..  trans-143.2134176.5-167.1-41.6000107.4P40 D68 W75 N125P40-D66 HydrophobicContact CB-CB 4.3Å; D66-D68 WeakPolarHBondContact OD1-CB 3.29Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D66-W75 HydrophobicContact CB-CG 4.48Å; D66-W75 PolarHBondContact O-NE1 2.81Å; D66-N125 PolarHBondContact OD2-ND2 2.83Å
67R93.6Very high94.6Very high184 Ų18448.7 Ų48.769%0.69427%0.267SS*.  trans-97.1-3.2-170.6-62.1-177.1-177.21557.9113.4H38H38-R67 HydrophobicContact CB-CB 4Å
68D93.8Very high94.7Very high6 Ų650.8 Ų50.83%0.03227%0.27CS..SBendtrans-75.9173176.4-65.2-18.5000111.3N36 D37 H38 D66 P70 A74N36-D68 VanDerWaalsContact CA-OD2 3.26Å; N36-D68 WeakPolarHBondContact CA-OD2 3.08Å; N36-D68 PolarHBondContact OD1-OD2 2.83Å; N36-D68 VanDerWaalsContact OD1-OD2 3.06Å; D37-D68 PolarHBondContact N-OD2 2.01Å; H38-D68 WeakPolarHBondContact CB-OD1 3Å; H38-D68 IonicContact CG-OD1 3.5Å; H38-D68 PolarHBondContact N-OD1 3.46Å; H38-D68 PolarHBondContact N-OD2 3.48Å; H38-D68 IonicContact ND1-OD1 2.85Å; H38-D68 PolarHBondContact ND1-OD1 2.91Å; D66-D68 WeakPolarHBondContact OD1-CB 3.29Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D68-P70 VanDerWaalsContact O-CD 3.31Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å; D68-A74 HydrophobicContact CB-CB 3.85Å
69D91.7Very high94.8Very high76 Ų7648 Ų4841%0.40625%0.251SS..  trans-68.6120.6-173.6-175-20000111.4D34 A71 T72 W75D34-D69 HydrophobicContact CB-CB 3.83Å; D34-D69 WeakPolarHBondContact OD2-CB 3.41Å; D34-D69 PolarHBondContact OD2-N 2.02Å; D34-D69 VanDerWaalsContact OD2-N 3.12Å; D69-A71 PolarHBondContact O-N 2.98Å; D69-A71 WeakPolarHBondContact OD1-CB 3.28Å; D69-A71 PolarHBondContact OD1-N 2.92Å; D69-T72 HydrophobicContact CB-CG2 3.88Å; D69-T72 PolarHBondContact O-N 3.14Å; D69-T72 PolarHBondContact O-OG1 3.4Å; D69-W75 WeakPolarHBondContact O-CB 3.32Å
70P91Very high94.8Very high78 Ų7848.9 Ų48.951%0.50626%0.258SS..THydrogen-bonded Turntrans-57.4-16.8-179.4-25.735.2000115.8D68 W75D68-P70 VanDerWaalsContact O-CD 3.31Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-W75 HydrophobicContact CB-CD2 3.87Å; P70-W75 HydrophobicContact CB-CE3 4.02Å; P70-W75 HydrophobicContact CB-CG 4.25Å; P70-W75 HydrophobicContact CB-CH2 4.4Å; P70-W75 HydrophobicContact CB-CZ2 4.32Å; P70-W75 HydrophobicContact CB-CZ3 4.28Å; P70-W75 HydrophobicContact CG-CD2 4.35Å; P70-W75 HydrophobicContact CG-CG 4.41Å
71A89.2Confident94.9Very high70 Ų7050 Ų5058%0.57926%0.263SS*.THydrogen-bonded Turntrans-81.1-12.2176.400000114D69 R76D69-A71 PolarHBondContact O-N 2.98Å; D69-A71 WeakPolarHBondContact OD1-CB 3.28Å; D69-A71 PolarHBondContact OD1-N 2.92Å; A71-R76 PolarHBondContact O-NH2 2.82Å; A71-R76 VanDerWaalsContact O-NH2 3.12Å
72T91.8Very high94.9Very high36 Ų3650.9 Ų50.922%0.22127%0.267CS..SBendtrans-105.3166.4-17171.90000112.7D34 D69 A74 W75 R76D34-T72 HydrophobicContact CB-CG2 4.2Å; D34-T72 PolarHBondContact OD2-OG1 3.06Å; D69-T72 HydrophobicContact CB-CG2 3.88Å; D69-T72 PolarHBondContact O-N 3.14Å; D69-T72 PolarHBondContact O-OG1 3.4Å; T72-A74 PolarHBondContact O-N 3.29Å; T72-A74 WeakPolarHBondContact OG1-CB 3.1Å; T72-A74 PolarHBondContact OG1-N 3.44Å; T72-W75 PolarHBondContact O-N 2.96Å; T72-R76 PolarHBondContact O-N 3.08Å
73G92.6Very high94.9Very high7 Ų754.4 Ų54.47%0.07229%0.291CS..THydrogen-bonded Turntrans-71.9-11.4170.900000112.9E126 D127G73-E126 PolarHBondContact O-N 3.28Å; G73-D127 WeakPolarHBondContact CA-OD2 3.28Å; G73-D127 PolarHBondContact O-N 2.75Å
74A93.4Very high94.8Very high2 Ų253.8 Ų53.82%0.01729%0.293CS..THydrogen-bonded Turntrans-67.7-36.3172.100000111.2N36 D68 T72 N125 D127N36-A74 HydrophobicContact CB-CB 3.59Å; D68-A74 HydrophobicContact CB-CB 3.85Å; T72-A74 PolarHBondContact O-N 3.29Å; T72-A74 WeakPolarHBondContact OG1-CB 3.1Å; T72-A74 PolarHBondContact OG1-N 3.44Å; A74-N125 WeakPolarHBondContact O-CB 3.45Å; A74-N125 PolarHBondContact O-ND2 2.76Å; A74-D127 PolarHBondContact N-OD2 2.99Å
75W94.6Very high94.8Very high55 Ų5553.8 Ų53.821%0.20829%0.292CS..THydrogen-bonded Turntrans-87-28.7176.4-177.287.2000114D66 D69 P70 T72 A77 N99D66-W75 HydrophobicContact CB-CG 4.48Å; D66-W75 PolarHBondContact O-NE1 2.81Å; D69-W75 WeakPolarHBondContact O-CB 3.32Å; P70-W75 HydrophobicContact CB-CD2 3.87Å; P70-W75 HydrophobicContact CB-CE3 4.02Å; P70-W75 HydrophobicContact CB-CG 4.25Å; P70-W75 HydrophobicContact CB-CH2 4.4Å; P70-W75 HydrophobicContact CB-CZ2 4.32Å; P70-W75 HydrophobicContact CB-CZ3 4.28Å; P70-W75 HydrophobicContact CG-CD2 4.35Å; P70-W75 HydrophobicContact CG-CG 4.41Å; T72-W75 PolarHBondContact O-N 2.96Å; W75-A77 PolarHBondContact O-N 2.83Å; W75-N99 HydrophobicContact CE3-CB 4.21Å; W75-N99 HydrophobicContact CH2-CB 3.35Å; W75-N99 HydrophobicContact CZ2-CB 3.77Å; W75-N99 HydrophobicContact CZ3-CB 3.58Å; W75-N99 PolarHBondContact O-ND2 3.04Å
76R95.1Very high94.8Very high102 Ų10255.2 Ų55.239%0.38531%0.307SS..  trans-66.5121.1-176.7-70.6-166.1-154.197.614.3112A71 T72 N125 E126A71-R76 PolarHBondContact O-NH2 2.82Å; A71-R76 VanDerWaalsContact O-NH2 3.12Å; T72-R76 PolarHBondContact O-N 3.08Å; R76-N125 CarbonylContact O-C 3.57Å; R76-N125 VanDerWaalsContact O-CA 3.25Å; R76-N125 WeakPolarHBondContact O-CA 3.38Å; R76-E126 HydrophobicContact CB-CG 3.86Å; R76-E126 WeakPolarHBondContact CD-OE2 3.47Å; R76-E126 IonicContact CZ-OE2 2.89Å; R76-E126 IonicContact NH1-OE2 3.87Å; R76-E126 PolarHBondContact NH1-OE2 2.96Å; R76-E126 PolarHBondContact O-N 2.93Å
77A96.4Very high94.8Very high1 Ų160.8 Ų60.81%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-82.9141.5-177.400000112.2V64 W75 Y79 T94 N99 V123 E124V64-A77 HydrophobicContact CG2-CB 4.35Å; W75-A77 PolarHBondContact O-N 2.83Å; A77-Y79 HydrophobicContact CB-CD2 4.4Å; A77-Y79 HydrophobicContact CB-CE2 3.63Å; A77-T94 WeakPolarHBondContact O-CB 3.34Å; A77-T94 VanDerWaalsContact O-CG2 3.22Å; A77-T94 WeakPolarHBondContact O-CG2 3.2Å; A77-T94 PolarHBondContact O-OG1 3.08Å; A77-N99 WeakPolarHBondContact CB-OD1 3.28Å; A77-N99 PolarHBondContact N-OD1 3.46Å; A77-V123 HydrophobicContact CB-CG2 3.69Å; A77-E124 CarbonylContact C-O 3.56Å; A77-E124 WeakPolarHBondContact CA-O 3.27Å
78L96.9Very high94.9Very high78 Ų7858.8 Ų58.841%0.40833%0.329SS..EExtended strand (participates in β ladder)trans-120.5113.8171.4-66.8-178.4000108.4V123 E124 E126L78-V123 WeakPolarHBondContact O-CA 3.36Å; L78-E124 PolarHBondContact N-O 2.87Å; L78-E124 PolarHBondContact O-N 2.77Å; L78-E126 HydrophobicContact CD1-CB 4.44Å; L78-E126 HydrophobicContact CD1-CG 4.08Å; L78-E126 HydrophobicContact CD2-CG 4Å; L78-E126 HydrophobicContact CG-CG 3.92Å
79Y97.9Very high95.1Very high22 Ų2258.9 Ų58.99%0.08633%0.33CS..EExtended strand (participates in β ladder)trans-95144.1-179.4-61.1-89.2000111.3F42 L62 V64 A77 V92 T94 N99 G101 I121 R122 V123F42-Y79 HydrophobicContact CE1-CD1 4.19Å; F42-Y79 AromaticContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CZ-CD1 4.11Å; F42-Y79 HydrophobicContact CZ-CE1 4.07Å; L62-Y79 HydrophobicContact CB-CE1 4.4Å; L62-Y79 HydrophobicContact CD1-CD1 4.48Å; V64-Y79 HydrophobicContact CG1-CE1 3.81Å; V64-Y79 WeakPolarHBondContact CG1-OH 3.41Å; V64-Y79 WeakPolarHBondContact CG2-OH 3.38Å; A77-Y79 HydrophobicContact CB-CD2 4.4Å; A77-Y79 HydrophobicContact CB-CE2 3.63Å; Y79-V92 VanDerWaalsContact CB-CG2 3.45Å; Y79-V92 HydrophobicContact CD1-CG2 4.5Å; Y79-V92 HydrophobicContact CG-CG2 3.95Å; Y79-T94 WeakPolarHBondContact CD2-OG1 3.43Å; Y79-T94 HydrophobicContact CE2-CG2 4.13Å; Y79-N99 PolarHBondContact OH-O 2.87Å; Y79-G101 VanDerWaalsContact CE2-N 3.32Å; Y79-G101 PolarHBondContact OH-N 2.95Å; Y79-I121 HydrophobicContact CD1-CG2 4.33Å; Y79-R122 WeakPolarHBondContact CA-O 3.5Å; Y79-V123 HydrophobicContact CD1-CB 4.01Å; Y79-V123 HydrophobicContact CD1-CG2 4.02Å; Y79-V123 HydrophobicContact CE1-CB 3.97Å; Y79-V123 HydrophobicContact CE1-CG2 3.74Å
80S97.4Very high95.4Very high48 Ų4855.8 Ų55.834%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-142.8141.4172.759.10000111.7I82 I121 R122S80-I82 PolarHBondContact O-N 3.35Å; S80-I121 WeakPolarHBondContact O-CA 3.17Å; S80-R122 PolarHBondContact N-O 3.18Å; S80-R122 PolarHBondContact O-N 3.27Å
81I98.1Very high95.7Very high49 Ų4956 Ų5625%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-84.2111.7170.6-57.9158.2000107.2D85 F90 V92 L103 I121I81-D85 HydrophobicContact CG2-CB 4.13Å; I81-F90 HydrophobicContact CD1-CB 3.8Å; I81-V92 HydrophobicContact CG1-CG1 4.13Å; I81-L103 HydrophobicContact CD1-CD1 4.31Å; I81-I121 HydrophobicContact CB-CD1 4.13Å; I81-I121 HydrophobicContact CG1-CD1 3.51Å; I81-I121 HydrophobicContact CG2-CD1 4.28Å
82I97.1Very high96.1Very high85 Ų8553.7 Ų53.744%0.43629%0.286SS..EExtended strand (participates in β ladder)trans-97.6-17.1-176.557.1164.2000113S80 L120 R122 T140S80-I82 PolarHBondContact O-N 3.35Å; I82-L120 HydrophobicContact CD1-CD2 3.5Å; I82-L120 HydrophobicContact CD1-CG 3.72Å; I82-L120 HydrophobicContact CG1-CB 4.01Å; I82-L120 HydrophobicContact CG1-CD2 3.86Å; I82-L120 HydrophobicContact CG1-CG 3.74Å; I82-L120 WeakPolarHBondContact CG1-O 3.17Å; I82-L120 PolarHBondContact N-O 2.84Å; I82-R122 HydrophobicContact CD1-CB 4.11Å; I82-R122 HydrophobicContact CG1-CB 4.34Å; I82-R122 HydrophobicContact CG2-CB 3.8Å; I82-T140 HydrophobicContact CD1-CG2 4.31Å
83S97.1Very high96.3Very high73 Ų7356.6 Ų56.651%0.5130%0.297SS..EExtended strand (participates in β ladder)trans-160.1162.5174.2-169.70000111.7L120S83-L120 PolarHBondContact N-O 3.49Å; S83-L120 PolarHBondContact O-N 3.46Å
84G95.8Very high96.5Very high27 Ų2758.3 Ų58.328%0.27831%0.306SS..SBendtrans97.4-7.3171.700000116.4P86 T118 L119G84-P86 WeakPolarHBondContact O-CD 3.39Å; G84-T118 VanDerWaalsContact CA-O 3.23Å; G84-T118 WeakPolarHBondContact CA-O 3.25Å; G84-L119 VanDerWaalsContact C-CD2 3.46Å; G84-L119 WeakPolarHBondContact O-CD2 3.46Å
85D96.6Very high96.5Very high25 Ų2559.5 Ų59.513%0.13431%0.312CS..  trans-124.372.3-179.4-17315.9000113.6I81 K87 Q88 S89 F90 L119I81-D85 HydrophobicContact CG2-CB 4.13Å; D85-K87 VanDerWaalsContact C-N 3.25Å; D85-K87 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact O-N 3.45Å; D85-Q88 WeakPolarHBondContact OD1-CA 3.33Å; D85-Q88 PolarHBondContact OD1-N 3.05Å; D85-Q88 WeakPolarHBondContact OD2-CA 3.35Å; D85-S89 VanDerWaalsContact CG-N 3.3Å; D85-S89 PolarHBondContact OD1-N 2.96Å; D85-S89 PolarHBondContact OD2-N 2.77Å; D85-F90 HydrophobicContact CB-CD2 4.17Å; D85-F90 PolarHBondContact OD2-N 3.37Å; D85-L119 HydrophobicContact CB-CD2 3.96Å
86P95Very high96.3Very high125 Ų12562.3 Ų62.381%0.81234%0.338SS*.THydrogen-bonded Turntrans-68.7-22.6-179.828.5-35.4000113.6G84G84-P86 WeakPolarHBondContact O-CD 3.39Å
87K94.9Very high96Very high128 Ų12864.6 Ų64.656%0.55736%0.357SS*.THydrogen-bonded Turntrans-92.3-4.7-178.4-68.5-177.7-177.7176.10112.7D85 S89 K107D85-K87 VanDerWaalsContact C-N 3.25Å; D85-K87 PolarHBondContact O-N 2.89Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 WeakPolarHBondContact CB-OG 3.24Å; K87-K107 PolarHBondContact O-NZ 2.64Å
88Q96.1Very high95.7Very high142 Ų14267.5 Ų67.566%0.66437%0.373SS*.  trans52.751.8-173.2-57.7-178.9-54.400110.9D85 K107D85-Q88 PolarHBondContact O-N 3.45Å; D85-Q88 WeakPolarHBondContact OD1-CA 3.33Å; D85-Q88 PolarHBondContact OD1-N 3.05Å; D85-Q88 WeakPolarHBondContact OD2-CA 3.35Å; Q88-K107 WeakPolarHBondContact O-CD 3.47Å; Q88-K107 WeakPolarHBondContact O-CE 3.25Å; Q88-K107 PolarHBondContact O-NZ 2.83Å
89S97.2Very high95.6Very high8 Ų864 Ų646%0.05636%0.355CS..  trans-92.5-15.6-179.6-44.40000112.3D85 K87 V106 K107D85-S89 VanDerWaalsContact CG-N 3.3Å; D85-S89 PolarHBondContact OD1-N 2.96Å; D85-S89 PolarHBondContact OD2-N 2.77Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 WeakPolarHBondContact CB-OG 3.24Å; S89-V106 VanDerWaalsContact O-CG2 3.26Å; S89-V106 WeakPolarHBondContact O-CG2 3.29Å; S89-V106 PolarHBondContact O-N 3Å; S89-K107 PolarHBondContact O-N 3.08Å
90F98Very high95.5Very high10 Ų1065.1 Ų65.14%0.04436%0.36CS..EExtended strand (participates in β ladder)trans-114.5151.2-179.2-58.8-87.6000111.4I81 D85 L103 S104 V105 L109 H117 L119 V145I81-F90 HydrophobicContact CD1-CB 3.8Å; D85-F90 HydrophobicContact CB-CD2 4.17Å; D85-F90 PolarHBondContact OD2-N 3.37Å; F90-L103 HydrophobicContact CB-CD1 4.15Å; F90-S104 CarbonylContact C-O 3.53Å; F90-S104 VanDerWaalsContact CA-O 3.26Å; F90-S104 WeakPolarHBondContact CA-O 3.36Å; F90-V105 HydrophobicContact CD1-CG2 3.94Å; F90-V105 HydrophobicContact CE1-CG2 3.72Å; F90-L109 HydrophobicContact CE1-CD1 3.93Å; F90-L109 HydrophobicContact CE2-CD2 4.11Å; F90-L109 HydrophobicContact CZ-CD1 3.6Å; F90-L109 HydrophobicContact CZ-CD2 3.87Å; F90-L109 HydrophobicContact CZ-CG 4.37Å; F90-H117 HydrophobicContact CE2-CB 4.18Å; F90-H117 AromaticContact CE2-CG 3.88Å; F90-H117 AromaticContact CE2-ND1 3.87Å; F90-H117 HydrophobicContact CZ-CB 4.06Å; F90-H117 AromaticContact CZ-CD2 3.95Å; F90-H117 AromaticContact CZ-CG 3.83Å; F90-L119 HydrophobicContact CB-CD1 4.15Å; F90-L119 HydrophobicContact CD1-CD1 3.91Å; F90-L119 HydrophobicContact CD2-CD1 3.9Å; F90-L119 HydrophobicContact CD2-CD2 3.98Å; F90-L119 HydrophobicContact CE1-CD1 4.25Å; F90-L119 HydrophobicContact CE2-CD1 4.26Å; F90-L119 HydrophobicContact CE2-CD2 4.17Å; F90-L119 HydrophobicContact CG-CD1 3.71Å; F90-L119 HydrophobicContact CZ-CD1 4.42Å; F90-V145 HydrophobicContact CE1-CB 4.44Å; F90-V145 HydrophobicContact CE1-CG1 4.23Å; F90-V145 HydrophobicContact CE1-CG2 4.05Å; F90-V145 HydrophobicContact CZ-CB 4.47Å; F90-V145 HydrophobicContact CZ-CG1 4.46Å; F90-V145 HydrophobicContact CZ-CG2 4.39Å
91E97.8Very high95.5Very high84 Ų8462.8 Ų62.839%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-139.3140.1173.1-174.2-179.217400109Q93 S104 V106E91-Q93 VanDerWaalsContact CD-NE2 3.35Å; E91-Q93 HydrophobicContact CG-CG 4.34Å; E91-Q93 PolarHBondContact OE1-NE2 2.91Å; E91-S104 PolarHBondContact N-O 3.49Å; E91-S104 PolarHBondContact O-N 2.93Å; E91-S104 PolarHBondContact O-OG 3.01Å; E91-V106 HydrophobicContact CB-CG1 3.62Å; E91-V106 HydrophobicContact CB-CG2 4.35Å; E91-V106 WeakPolarHBondContact OE2-CG1 3.2Å
92V97.8Very high95.5Very high21 Ų2162.7 Ų62.713%0.12734%0.343CS..EExtended strand (participates in β ladder)trans-116.5129.4174.8640000109.4L62 Y79 I81 M102 L103L62-V92 HydrophobicContact CD1-CG2 4.22Å; Y79-V92 VanDerWaalsContact CB-CG2 3.45Å; Y79-V92 HydrophobicContact CD1-CG2 4.5Å; Y79-V92 HydrophobicContact CG-CG2 3.95Å; I81-V92 HydrophobicContact CG1-CG1 4.13Å; V92-M102 WeakPolarHBondContact CA-O 3.33Å; V92-L103 HydrophobicContact CB-CD1 4.24Å
93Q96.1Very high95.5Very high96 Ų9658.7 Ų58.745%0.44932%0.323SS..EExtended strand (participates in β ladder)trans-125.8140.2178.1-66-178.411.200110E91 M102E91-Q93 VanDerWaalsContact CD-NE2 3.35Å; E91-Q93 HydrophobicContact CG-CG 4.34Å; E91-Q93 PolarHBondContact OE1-NE2 2.91Å; Q93-M102 HydrophobicContact CB-CE 4.44Å; Q93-M102 PolarHBondContact N-O 2.84Å; Q93-M102 VanDerWaalsContact N-O 3.07Å; Q93-M102 PolarHBondContact O-N 3.04Å
94T96.3Very high95.5Very high43 Ų4355.9 Ų55.926%0.26430%0.303SS..EExtended strand (participates in β ladder)trans-73.2128.3173.2-50.90000109.8A77 Y79 P96A77-T94 WeakPolarHBondContact O-CB 3.34Å; A77-T94 VanDerWaalsContact O-CG2 3.22Å; A77-T94 WeakPolarHBondContact O-CG2 3.2Å; A77-T94 PolarHBondContact O-OG1 3.08Å; Y79-T94 WeakPolarHBondContact CD2-OG1 3.43Å; Y79-T94 HydrophobicContact CE2-CG2 4.13Å; T94-P96 WeakPolarHBondContact O-CD 3.3Å
95N94.5Very high95.6Very high27 Ų2754.7 Ų54.714%0.14429%0.291CS..  trans-76.4118.7169.4-179.3-14.6000109.4D97 N98 N99 E100 M102N95-D97 PolarHBondContact O-N 2.89Å; N95-D97 PolarHBondContact OD1-N 2.7Å; N95-N98 WeakPolarHBondContact CB-OD1 3.17Å; N95-N98 PolarHBondContact ND2-OD1 2.84Å; N95-N98 VanDerWaalsContact ND2-OD1 3.15Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.12Å; N95-N99 PolarHBondContact O-N 3.47Å; N95-E100 WeakPolarHBondContact CB-O 3.41Å; N95-E100 PolarHBondContact N-O 3.09Å; N95-M102 HydrophobicContact CB-CE 4.25Å; N95-M102 HydrophobicContact CB-CG 4.14Å; N95-M102 HydrophobicContact CB-SD 4.13Å
96P89Confident95.7Very high115 Ų11556.1 Ų56.175%0.74730%0.3SS*.THydrogen-bonded Turntrans-67.6-18.8-17628.8-36.4000113.9T94T94-P96 WeakPolarHBondContact O-CD 3.3Å
97D88.8Confident95.7Very high150 Ų15054.7 Ų54.780%0.80228%0.281SS*.THydrogen-bonded Turntrans-85.1-31.7-175.1-64.6-32.8000112.9N95N95-D97 PolarHBondContact O-N 2.89Å; N95-D97 PolarHBondContact OD1-N 2.7Å
98N91.3Very high95.7Very high61 Ų6151.4 Ų51.433%0.32627%0.273SS..THydrogen-bonded Turntrans-136.43.6-172.269.9-0.2000114.6N95 E100N95-N98 WeakPolarHBondContact CB-OD1 3.17Å; N95-N98 PolarHBondContact ND2-OD1 2.84Å; N95-N98 VanDerWaalsContact ND2-OD1 3.15Å; N98-E100 HydrophobicContact CB-CG 4.46Å; N98-E100 WeakPolarHBondContact ND2-CG 3.41Å; N98-E100 PolarHBondContact ND2-OE1 2.89Å; N98-E100 PolarHBondContact ND2-OE2 2.79Å; N98-E100 PolarHBondContact O-N 2.89Å; N98-E100 VanDerWaalsContact O-N 3.13Å; N98-E100 WeakPolarHBondContact OD1-CB 3.28Å; N98-E100 PolarHBondContact OD1-N 3.06Å; N98-E100 VanDerWaalsContact OD1-N 3.1Å
99N94.2Very high95.6Very high6 Ų645.3 Ų45.33%0.03225%0.245CC..  trans64.48.7178.9-151.536.6000115.4W75 A77 Y79 N95W75-N99 HydrophobicContact CE3-CB 4.21Å; W75-N99 HydrophobicContact CH2-CB 3.35Å; W75-N99 HydrophobicContact CZ2-CB 3.77Å; W75-N99 HydrophobicContact CZ3-CB 3.58Å; W75-N99 PolarHBondContact O-ND2 3.04Å; A77-N99 WeakPolarHBondContact CB-OD1 3.28Å; A77-N99 PolarHBondContact N-OD1 3.46Å; Y79-N99 PolarHBondContact OH-O 2.87Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.12Å; N95-N99 PolarHBondContact O-N 3.47Å
100E96.2Very high95.5Very high44 Ų4447.7 Ų47.721%0.20626%0.257CS..  trans-73.1146.8177-66.2176.8179.900111.3N61 L62 T63 N95 N98 M102N61-E100 HydrophobicContact CB-CB 4.45Å; N61-E100 WeakPolarHBondContact CB-OE2 3.36Å; N61-E100 PolarHBondContact ND2-OE2 2.86Å; L62-E100 CarbonylContact O-C 3.54Å; L62-E100 WeakPolarHBondContact O-CA 3.33Å; T63-E100 HydrophobicContact CG2-CG 3.96Å; N95-E100 WeakPolarHBondContact CB-O 3.41Å; N95-E100 PolarHBondContact N-O 3.09Å; N98-E100 HydrophobicContact CB-CG 4.46Å; N98-E100 WeakPolarHBondContact ND2-CG 3.41Å; N98-E100 PolarHBondContact ND2-OE1 2.89Å; N98-E100 PolarHBondContact ND2-OE2 2.79Å; N98-E100 PolarHBondContact O-N 2.89Å; N98-E100 VanDerWaalsContact O-N 3.13Å; N98-E100 WeakPolarHBondContact OD1-CB 3.28Å; N98-E100 PolarHBondContact OD1-N 3.06Å; N98-E100 VanDerWaalsContact OD1-N 3.1Å; E100-M102 PolarHBondContact O-N 3.12Å
101G97.1Very high95.3Very high0 Ų049.6 Ų49.60%026%0.264CS..EExtended strand (participates in β ladder)trans-84.6109.8173.400000110.7N61 L62 Y79 L103N61-G101 CarbonylContact C-O 3.56Å; N61-G101 WeakPolarHBondContact CA-O 2.93Å; L62-G101 WeakPolarHBondContact CB-O 3.22Å; L62-G101 WeakPolarHBondContact CG-O 3.19Å; L62-G101 PolarHBondContact N-O 3.14Å; L62-G101 PolarHBondContact O-N 3.18Å; Y79-G101 VanDerWaalsContact CE2-N 3.32Å; Y79-G101 PolarHBondContact OH-N 2.95Å; G101-L103 PolarHBondContact O-N 2.9Å
102M97.7Very high95.1Very high47 Ų4748 Ų4823%0.23226%0.256CS..EExtended strand (participates in β ladder)trans-81.3100.4173.2-62.6-176.1-58.900109.3V58 V92 Q93 N95 E100V58-M102 HydrophobicContact CG1-CB 4.1Å; V58-M102 HydrophobicContact CG2-CB 4.17Å; V58-M102 HydrophobicContact CG2-SD 4.46Å; V92-M102 WeakPolarHBondContact CA-O 3.33Å; Q93-M102 HydrophobicContact CB-CE 4.44Å; Q93-M102 PolarHBondContact N-O 2.84Å; Q93-M102 VanDerWaalsContact N-O 3.07Å; Q93-M102 PolarHBondContact O-N 3.04Å; N95-M102 HydrophobicContact CB-CE 4.25Å; N95-M102 HydrophobicContact CB-CG 4.14Å; N95-M102 HydrophobicContact CB-SD 4.13Å; E100-M102 PolarHBondContact O-N 3.12Å
103L98.1Very high94.8Very high0 Ų051 Ų510%028%0.275CS..EExtended strand (participates in β ladder)trans-78.4128.7171-178.569.3000109V58 V59 V60 I81 F90 V92 G101 L119 V143 V145V58-L103 CarbonylContact C-O 3.56Å; V58-L103 WeakPolarHBondContact CA-O 3.31Å; V59-L103 HydrophobicContact CG2-CB 4.32Å; V59-L103 HydrophobicContact CG2-CD2 4.04Å; V59-L103 HydrophobicContact CG2-CG 3.97Å; V59-L103 VanDerWaalsContact CG2-O 3.32Å; V59-L103 WeakPolarHBondContact CG2-O 2.99Å; V59-L103 PolarHBondContact N-O 2.91Å; V60-L103 HydrophobicContact CG1-CB 3.93Å; V60-L103 HydrophobicContact CG1-CD2 3.93Å; V60-L103 PolarHBondContact N-O 2.73Å; V60-L103 PolarHBondContact O-N 3.22Å; I81-L103 HydrophobicContact CD1-CD1 4.31Å; F90-L103 HydrophobicContact CB-CD1 4.15Å; V92-L103 HydrophobicContact CB-CD1 4.24Å; G101-L103 PolarHBondContact O-N 2.9Å; L103-L119 HydrophobicContact CD1-CD1 4.19Å; L103-L119 HydrophobicContact CD2-CD1 3.85Å; L103-V143 HydrophobicContact CD2-CB 4.31Å; L103-V143 HydrophobicContact CD2-CG1 3.77Å; L103-V143 HydrophobicContact CD2-CG2 4.44Å; L103-V145 HydrophobicContact CD2-CG2 4.42Å
104S97.7Very high94.7Very high15 Ų1548.9 Ų48.911%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-132.7151.9-175.365.70000112.7G57 F90 E91G57-S104 CarbonylContact O-C 3.58Å; G57-S104 WeakPolarHBondContact O-CA 3.28Å; G57-S104 WeakPolarHBondContact O-CB 3.44Å; F90-S104 CarbonylContact C-O 3.53Å; F90-S104 VanDerWaalsContact CA-O 3.26Å; F90-S104 WeakPolarHBondContact CA-O 3.36Å; E91-S104 PolarHBondContact N-O 3.49Å; E91-S104 PolarHBondContact O-N 2.93Å; E91-S104 PolarHBondContact O-OG 3.01Å
105V97.9Very high94.6Very high2 Ų247.6 Ų47.61%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-93117171.4176.20000108.5V51 S55 R56 G57 V59 F90 K107 L109V51-V105 HydrophobicContact CG2-CG2 4.41Å; S55-V105 WeakPolarHBondContact O-CG1 3.21Å; R56-V105 WeakPolarHBondContact CA-O 3.41Å; G57-V105 PolarHBondContact N-O 2.81Å; G57-V105 VanDerWaalsContact N-O 3.09Å; G57-V105 PolarHBondContact O-N 2.85Å; V59-V105 HydrophobicContact CG1-CG2 3.63Å; F90-V105 HydrophobicContact CD1-CG2 3.94Å; F90-V105 HydrophobicContact CE1-CG2 3.72Å; V105-K107 WeakPolarHBondContact CG1-O 3.37Å; V105-L109 HydrophobicContact CG1-CG 4.03Å; V105-L109 HydrophobicContact CG2-CD1 4.09Å; V105-L109 HydrophobicContact CG2-CG 4.48Å
106V97.1Very high94.7Very high54 Ų5453.1 Ų53.133%0.32729%0.285SS..  trans-102.4-28.9-179.5-670000112.7R56 S89 E91R56-V106 PolarHBondContact NE-O 3.14Å; S89-V106 VanDerWaalsContact O-CG2 3.26Å; S89-V106 WeakPolarHBondContact O-CG2 3.29Å; S89-V106 PolarHBondContact O-N 3Å; E91-V106 HydrophobicContact CB-CG1 3.62Å; E91-V106 HydrophobicContact CB-CG2 4.35Å; E91-V106 WeakPolarHBondContact OE2-CG1 3.2Å
107K96.3Very high95.1Very high95 Ų9549 Ų4941%0.41326%0.256SS..SBendtrans-114.4135.2169.7-59.5178.2-170.91650109.1K87 Q88 S89 V105 L109K87-K107 PolarHBondContact O-NZ 2.64Å; Q88-K107 WeakPolarHBondContact O-CD 3.47Å; Q88-K107 WeakPolarHBondContact O-CE 3.25Å; Q88-K107 PolarHBondContact O-NZ 2.83Å; S89-K107 PolarHBondContact O-N 3.08Å; V105-K107 WeakPolarHBondContact CG1-O 3.37Å; K107-L109 PolarHBondContact O-N 3.15Å
108P94.1Very high95.6Very high60 Ų6045.8 Ų45.839%0.3924%0.242SC..  trans-52.9134.4178.5-24.735000110.9
109L95.5Very high95.9Very high13 Ų1342.9 Ų42.97%0.06823%0.227CC..  trans-85.4157.4168.6-52.4179.5000108.6V51 E53 G54 F90 V105 K107 V147V51-L109 HydrophobicContact CG1-CD1 3.82Å; E53-L109 WeakPolarHBondContact CB-O 3.21Å; G54-L109 PolarHBondContact N-O 2.98Å; F90-L109 HydrophobicContact CE1-CD1 3.93Å; F90-L109 HydrophobicContact CE2-CD2 4.11Å; F90-L109 HydrophobicContact CZ-CD1 3.6Å; F90-L109 HydrophobicContact CZ-CD2 3.87Å; F90-L109 HydrophobicContact CZ-CG 4.37Å; V105-L109 HydrophobicContact CG1-CG 4.03Å; V105-L109 HydrophobicContact CG2-CD1 4.09Å; V105-L109 HydrophobicContact CG2-CG 4.48Å; K107-L109 PolarHBondContact O-N 3.15Å; L109-V147 HydrophobicContact CB-CG1 4.36Å; L109-V147 HydrophobicContact CB-CG2 4.05Å; L109-V147 HydrophobicContact CD1-CG2 3.79Å
110D94.2Very high96.1Very high58 Ų5845.4 Ų45.431%0.3124%0.24SC..  trans-134.4115.6-174.1176.290.1000106.5E112 T113 T114D110-E112 VanDerWaalsContact C-N 3.35Å; D110-T113 PolarHBondContact O-N 2.82Å; D110-T113 WeakPolarHBondContact OD2-CB 3.22Å; D110-T113 PolarHBondContact OD2-N 3.31Å; D110-T113 PolarHBondContact OD2-OG1 2.92Å; D110-T114 PolarHBondContact O-N 3.19Å
111Y94.5Very high96.2Very high50 Ų5043.3 Ų43.320%0.19623%0.23CC..THydrogen-bonded Turntrans-64.6-43.3-171.7176-95.7000110.9E53 T113 T114 A115 V147 D149 L186E53-Y111 VanDerWaalsContact OE2-CB 3.32Å; E53-Y111 WeakPolarHBondContact OE2-CB 3.35Å; E53-Y111 PolarHBondContact OE2-N 3.37Å; Y111-T113 VanDerWaalsContact C-N 3.26Å; Y111-T113 PolarHBondContact O-N 2.91Å; Y111-T114 CarbonylContact O-C 3.3Å; Y111-T114 PolarHBondContact O-N 3.26Å; Y111-A115 HydrophobicContact CD2-CB 3.64Å; Y111-A115 HydrophobicContact CE2-CB 3.4Å; Y111-A115 HydrophobicContact CG-CB 4.43Å; Y111-A115 PolarHBondContact O-N 3.31Å; Y111-V147 HydrophobicContact CD2-CB 4.25Å; Y111-V147 HydrophobicContact CD2-CG1 4.34Å; Y111-V147 WeakPolarHBondContact CD2-O 3.48Å; Y111-V147 WeakPolarHBondContact CE2-O 3.49Å; Y111-D149 HydrophobicContact CD1-CB 3.69Å; Y111-D149 HydrophobicContact CD2-CB 3.91Å; Y111-D149 HydrophobicContact CE1-CB 3.83Å; Y111-D149 HydrophobicContact CE2-CB 4.05Å; Y111-D149 HydrophobicContact CG-CB 3.74Å; Y111-L186 HydrophobicContact CE1-CD1 3.76Å; Y111-L186 HydrophobicContact CE1-CG 4.03Å; Y111-L186 WeakPolarHBondContact OH-CD1 3.27Å
112E92.4Very high96.2Very high50 Ų5047.3 Ų47.323%0.23425%0.245CC..THydrogen-bonded Turntrans-57.2-37.5179.9-78.450-119.300111.8D110 P183 V185D110-E112 VanDerWaalsContact C-N 3.35Å; E112-P183 HydrophobicContact CG-CB 4.49Å; E112-P183 WeakPolarHBondContact CG-O 3.35Å; E112-V185 HydrophobicContact CG-CG2 4.13Å
113T92.2Very high96.2Very high84 Ų8445 Ų4552%0.51523%0.234SC..THydrogen-bonded Turntrans-80.9-49.2176.4-62.30000112.1D110 Y111D110-T113 PolarHBondContact O-N 2.82Å; D110-T113 WeakPolarHBondContact OD2-CB 3.22Å; D110-T113 PolarHBondContact OD2-N 3.31Å; D110-T113 PolarHBondContact OD2-OG1 2.92Å; Y111-T113 VanDerWaalsContact C-N 3.26Å; Y111-T113 PolarHBondContact O-N 2.91Å
114T93.6Very high96.2Very high53 Ų5348.1 Ų48.133%0.32525%0.248SC..  trans-155.397.2-175.6-54.60000111.8D110 Y111 F116 H117D110-T114 PolarHBondContact O-N 3.19Å; Y111-T114 CarbonylContact O-C 3.3Å; Y111-T114 PolarHBondContact O-N 3.26Å; T114-F116 VanDerWaalsContact C-N 3.35Å; T114-F116 WeakPolarHBondContact CG2-O 3.4Å; T114-F116 PolarHBondContact O-N 2.87Å; T114-H117 PolarHBondContact O-NE2 3.49Å
115A95.1Very high96.1Very high16 Ų1647.7 Ų47.713%0.13225%0.245CC..SBendtrans-71-22.4177.900000115.2Y111 V147Y111-A115 HydrophobicContact CD2-CB 3.64Å; Y111-A115 HydrophobicContact CE2-CB 3.4Å; Y111-A115 HydrophobicContact CG-CB 4.43Å; Y111-A115 PolarHBondContact O-N 3.31Å; A115-V147 PolarHBondContact O-N 2.74Å
116F96.3Very high95.9Very high142 Ų14252 Ų5262%0.62327%0.265SS*.EExtended strand (participates in β ladder)trans-130.5124-174.2-59.5-78.5000111.6T114 T146T114-F116 VanDerWaalsContact C-N 3.35Å; T114-F116 WeakPolarHBondContact CG2-O 3.4Å; T114-F116 PolarHBondContact O-N 2.87Å; F116-T146 HydrophobicContact CD1-CG2 4.24Å; F116-T146 HydrophobicContact CE1-CG2 3.8Å
117H97.3Very high95.8Very high29 Ų2953 Ų5313%0.13427%0.269CS..EExtended strand (participates in β ladder)trans-113.7136.2173-60.5-90.7000110.9F90 T114 H144 V145F90-H117 HydrophobicContact CE2-CB 4.18Å; F90-H117 AromaticContact CE2-CG 3.88Å; F90-H117 AromaticContact CE2-ND1 3.87Å; F90-H117 HydrophobicContact CZ-CB 4.06Å; F90-H117 AromaticContact CZ-CD2 3.95Å; F90-H117 AromaticContact CZ-CG 3.83Å; T114-H117 PolarHBondContact O-NE2 3.49Å; H117-H144 WeakPolarHBondContact O-CA 3.27Å; H117-V145 HydrophobicContact CB-CB 4.2Å; H117-V145 PolarHBondContact N-O 3.15Å; H117-V145 PolarHBondContact O-N 2.87Å
118T98.1Very high95.7Very high82 Ų8254 Ų5450%0.50328%0.284SS..EExtended strand (participates in β ladder)trans-118.9105.1174.4-55.60000108.1G84 T142G84-T118 VanDerWaalsContact CA-O 3.23Å; G84-T118 WeakPolarHBondContact CA-O 3.25Å; T118-T142 HydrophobicContact CG2-CG2 3.71Å
119L98.1Very high95.7Very high1 Ų152.4 Ų52.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-100.8140.6-178.9-52.3178.1000109.7G84 D85 F90 L103 I121 T142 V143 V145G84-L119 VanDerWaalsContact C-CD2 3.46Å; G84-L119 WeakPolarHBondContact O-CD2 3.46Å; D85-L119 HydrophobicContact CB-CD2 3.96Å; F90-L119 HydrophobicContact CB-CD1 4.15Å; F90-L119 HydrophobicContact CD1-CD1 3.91Å; F90-L119 HydrophobicContact CD2-CD1 3.9Å; F90-L119 HydrophobicContact CD2-CD2 3.98Å; F90-L119 HydrophobicContact CE1-CD1 4.25Å; F90-L119 HydrophobicContact CE2-CD1 4.26Å; F90-L119 HydrophobicContact CE2-CD2 4.17Å; F90-L119 HydrophobicContact CG-CD1 3.71Å; F90-L119 HydrophobicContact CZ-CD1 4.42Å; L103-L119 HydrophobicContact CD1-CD1 4.19Å; L103-L119 HydrophobicContact CD2-CD1 3.85Å; L119-I121 HydrophobicContact CB-CD1 4.14Å; L119-T142 CarbonylContact O-C 3.53Å; L119-T142 WeakPolarHBondContact O-CA 3.21Å; L119-V143 HydrophobicContact CB-CB 4.31Å; L119-V143 PolarHBondContact N-O 3.33Å; L119-V143 PolarHBondContact O-N 3.12Å; L119-V145 HydrophobicContact CD1-CG2 4.3Å
120L98.2Very high95.6Very high59 Ų5954 Ų5431%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-107.8118170.1-171.966.6000108.3I82 S83I82-L120 HydrophobicContact CD1-CD2 3.5Å; I82-L120 HydrophobicContact CD1-CG 3.72Å; I82-L120 HydrophobicContact CG1-CB 4.01Å; I82-L120 HydrophobicContact CG1-CD2 3.86Å; I82-L120 HydrophobicContact CG1-CG 3.74Å; I82-L120 WeakPolarHBondContact CG1-O 3.17Å; I82-L120 PolarHBondContact N-O 2.84Å; S83-L120 PolarHBondContact N-O 3.49Å; S83-L120 PolarHBondContact O-N 3.46Å
121I98.3Very high95.4Very high0 Ų057.3 Ų57.30%031%0.307CS..EExtended strand (participates in β ladder)trans-108138.3-177.5-48.5-60.6000108.8F42 L62 Y79 S80 I81 L119 T140 A141 V143F42-I121 HydrophobicContact CZ-CB 4.3Å; F42-I121 HydrophobicContact CZ-CG2 3.97Å; L62-I121 HydrophobicContact CD1-CB 4.25Å; L62-I121 HydrophobicContact CD1-CG1 4.02Å; L62-I121 HydrophobicContact CD1-CG2 3.8Å; Y79-I121 HydrophobicContact CD1-CG2 4.33Å; S80-I121 WeakPolarHBondContact O-CA 3.17Å; I81-I121 HydrophobicContact CB-CD1 4.13Å; I81-I121 HydrophobicContact CG1-CD1 3.51Å; I81-I121 HydrophobicContact CG2-CD1 4.28Å; L119-I121 HydrophobicContact CB-CD1 4.14Å; I121-T140 CarbonylContact O-C 3.57Å; I121-T140 WeakPolarHBondContact O-CA 3.46Å; I121-A141 PolarHBondContact N-O 2.83Å; I121-A141 PolarHBondContact O-N 3.21Å; I121-V143 HydrophobicContact CG1-CG2 3.65Å
122R97.8Very high95.2Very high83 Ų8362.6 Ų62.631%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-114.5140.9171.3-179175.6173.9130.5-4.7109.4Y79 S80 I82 E124 S139 T140Y79-R122 WeakPolarHBondContact CA-O 3.5Å; S80-R122 PolarHBondContact N-O 3.18Å; S80-R122 PolarHBondContact O-N 3.27Å; I82-R122 HydrophobicContact CD1-CB 4.11Å; I82-R122 HydrophobicContact CG1-CB 4.34Å; I82-R122 HydrophobicContact CG2-CB 3.8Å; R122-E124 HydrophobicContact CG-CG 4.27Å; R122-E124 IonicContact CZ-OE1 3.09Å; R122-E124 IonicContact NE-OE1 3.83Å; R122-E124 PolarHBondContact NE-OE1 3.12Å; R122-E124 IonicContact NH2-OE1 2.69Å; R122-E124 PolarHBondContact NH2-OE1 2.85Å; R122-S139 WeakPolarHBondContact CA-O 3.18Å; R122-T140 HydrophobicContact CB-CG2 4.22Å; R122-T140 HydrophobicContact CG-CG2 4.26Å
123V97.9Very high95.1Very high0 Ų062.8 Ų62.80%034%0.344CS..EExtended strand (participates in β ladder)trans-114.1138170.164.10000109.8P40 F42 V64 A77 L78 Y79 S139P40-V123 HydrophobicContact CB-CG1 4.07Å; P40-V123 HydrophobicContact CB-CG2 3.97Å; P40-V123 HydrophobicContact CG-CB 4.45Å; P40-V123 HydrophobicContact CG-CG1 4.02Å; P40-V123 HydrophobicContact CG-CG2 3.85Å; F42-V123 HydrophobicContact CD2-CG1 3.99Å; F42-V123 HydrophobicContact CE2-CB 3.98Å; F42-V123 HydrophobicContact CE2-CG1 3.57Å; F42-V123 HydrophobicContact CZ-CB 3.84Å; F42-V123 HydrophobicContact CZ-CG1 3.89Å; V64-V123 HydrophobicContact CG1-CB 4.46Å; V64-V123 HydrophobicContact CG1-CG1 4.19Å; V64-V123 HydrophobicContact CG1-CG2 4.27Å; A77-V123 HydrophobicContact CB-CG2 3.69Å; L78-V123 WeakPolarHBondContact O-CA 3.36Å; Y79-V123 HydrophobicContact CD1-CB 4.01Å; Y79-V123 HydrophobicContact CD1-CG2 4.02Å; Y79-V123 HydrophobicContact CE1-CB 3.97Å; Y79-V123 HydrophobicContact CE1-CG2 3.74Å; V123-S139 PolarHBondContact N-O 2.83Å
124E96.8Very high95Very high64 Ų6461.4 Ų61.430%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-134.1170.4174.4-63.3-169.515400109.1A77 L78 R122 Y135A77-E124 CarbonylContact C-O 3.56Å; A77-E124 WeakPolarHBondContact CA-O 3.27Å; L78-E124 PolarHBondContact N-O 2.87Å; L78-E124 PolarHBondContact O-N 2.77Å; R122-E124 HydrophobicContact CG-CG 4.27Å; R122-E124 IonicContact CZ-OE1 3.09Å; R122-E124 IonicContact NE-OE1 3.83Å; R122-E124 PolarHBondContact NE-OE1 3.12Å; R122-E124 IonicContact NH2-OE1 2.69Å; R122-E124 PolarHBondContact NH2-OE1 2.85Å; E124-Y135 HydrophobicContact CB-CE1 3.99Å; E124-Y135 HydrophobicContact CB-CE2 4.29Å; E124-Y135 WeakPolarHBondContact CB-OH 3.34Å; E124-Y135 HydrophobicContact CG-CD1 4.44Å; E124-Y135 HydrophobicContact CG-CD2 4.36Å; E124-Y135 HydrophobicContact CG-CE1 4.04Å; E124-Y135 HydrophobicContact CG-CE2 3.91Å
125N96.1Very high94.9Very high7 Ų761.9 Ų61.94%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-94.9163.5170.7-48.698.9000111.4N36 P40 D66 A74 R76 D127 Y135N36-N125 VanDerWaalsContact ND2-CB 3.33Å; N36-N125 WeakPolarHBondContact ND2-CB 3.14Å; N36-N125 VanDerWaalsContact ND2-CG 3.33Å; N36-N125 PolarHBondContact ND2-OD1 3.06Å; N36-N125 PolarHBondContact OD1-OD1 3.33Å; P40-N125 VanDerWaalsContact CD-CG 3.48Å; P40-N125 VanDerWaalsContact CD-ND2 3.29Å; P40-N125 WeakPolarHBondContact CD-ND2 3.39Å; P40-N125 WeakPolarHBondContact CD-OD1 3.34Å; P40-N125 WeakPolarHBondContact CG-ND2 3.49Å; D66-N125 PolarHBondContact OD2-ND2 2.83Å; A74-N125 WeakPolarHBondContact O-CB 3.45Å; A74-N125 PolarHBondContact O-ND2 2.76Å; R76-N125 CarbonylContact O-C 3.57Å; R76-N125 VanDerWaalsContact O-CA 3.25Å; R76-N125 WeakPolarHBondContact O-CA 3.38Å; N125-D127 VanDerWaalsContact C-N 3.35Å; N125-Y135 PolarHBondContact N-OH 2.94Å; N125-Y135 VanDerWaalsContact N-OH 3.13Å
126E95Very high94.7Very high93 Ų9362.7 Ų62.744%0.43535%0.352SS..SBendtrans-63.3-42.7169.6-69-176.5161.900111.7G73 R76 L78G73-E126 PolarHBondContact O-N 3.28Å; R76-E126 HydrophobicContact CB-CG 3.86Å; R76-E126 WeakPolarHBondContact CD-OE2 3.47Å; R76-E126 IonicContact CZ-OE2 2.89Å; R76-E126 IonicContact NH1-OE2 3.87Å; R76-E126 PolarHBondContact NH1-OE2 2.96Å; R76-E126 PolarHBondContact O-N 2.93Å; L78-E126 HydrophobicContact CD1-CB 4.44Å; L78-E126 HydrophobicContact CD1-CG 4.08Å; L78-E126 HydrophobicContact CD2-CG 4Å; L78-E126 HydrophobicContact CG-CG 3.92Å
127D94.8Very high94.5Very high75 Ų7561.3 Ų61.340%0.40136%0.357SS..SBendtrans-86.7141.7177.1-72.7-27.5000111N36 G73 A74 N125N36-D127 HydrophobicContact CB-CB 4.48Å; N36-D127 PolarHBondContact ND2-O 3.1Å; G73-D127 WeakPolarHBondContact CA-OD2 3.28Å; G73-D127 PolarHBondContact O-N 2.75Å; A74-D127 PolarHBondContact N-OD2 2.99Å; N125-D127 VanDerWaalsContact C-N 3.35Å
128P93.9Very high94.4Very high114 Ų11462.6 Ų62.674%0.7437%0.37SS*.PPolyproline II helixtrans-68.1138.717828.3-34.2000111.7
129L93.4Very high94.3Very high28 Ų2858.8 Ų58.815%0.14735%0.346CS..PPolyproline II helixtrans-54.8148.5171.3-74.2167.3000111.7N36 A39 V133 Y135N36-L129 WeakPolarHBondContact OD1-CD2 3.28Å; A39-L129 HydrophobicContact CB-CD1 4.11Å; A39-L129 HydrophobicContact CB-CD2 4.04Å; L129-V133 HydrophobicContact CD1-CG1 4.48Å; L129-V133 HydrophobicContact CD2-CB 4.42Å; L129-V133 HydrophobicContact CD2-CG1 3.91Å; L129-Y135 HydrophobicContact CD1-CD1 3.76Å; L129-Y135 HydrophobicContact CD1-CD2 3.79Å; L129-Y135 HydrophobicContact CD1-CE1 3.58Å; L129-Y135 HydrophobicContact CD1-CE2 3.66Å; L129-Y135 HydrophobicContact CD1-CG 3.85Å; L129-Y135 HydrophobicContact CG-CE1 4.18Å; L129-Y135 HydrophobicContact CG-CE2 4.36Å
130V94.1Very high94.3Very high45 Ų4560.9 Ų60.927%0.27336%0.359SS..PPolyproline II helixtrans-61.6150170.2-65.40000111.3K35 N36 D37 D132 V133K35-V130 HydrophobicContact CB-CG1 4.3Å; N36-V130 PolarHBondContact O-N 3.4Å; D37-V130 HydrophobicContact CB-CG2 3.93Å; V130-D132 PolarHBondContact O-N 3.23Å; V130-V133 HydrophobicContact CG2-CB 3.99Å; V130-V133 HydrophobicContact CG2-CG2 3.61Å; V130-V133 PolarHBondContact O-N 2.84Å
131P89.8Confident94.3Very high128 Ų12858.1 Ų58.183%0.83135%0.345SS*.THydrogen-bonded Turntrans-57.5-21.8-168.5-28.135.9000116.9
132D89.7Confident94.3Very high162 Ų16260.2 Ų60.287%0.86636%0.358SS*.THydrogen-bonded Turntrans-95.8-1.5-177-61.6-42000113.2V130V130-D132 PolarHBondContact O-N 3.23Å
133V90.2Very high94.3Very high54 Ų5456.2 Ų56.233%0.32734%0.343SS..  trans-118.1139.4179.1-176.30000109.1L129 V130L129-V133 HydrophobicContact CD1-CG1 4.48Å; L129-V133 HydrophobicContact CD2-CB 4.42Å; L129-V133 HydrophobicContact CD2-CG1 3.91Å; V130-V133 HydrophobicContact CG2-CB 3.99Å; V130-V133 HydrophobicContact CG2-CG2 3.61Å; V130-V133 PolarHBondContact O-N 2.84Å
134G89.7Confident94.3Very high54 Ų5459.5 Ų59.556%0.55736%0.358SS*.  trans-136.5154.5179.300000111.9G136G134-G136 PolarHBondContact O-N 3.46Å
135Y92.7Very high94.4Very high63 Ų6356.5 Ų56.525%0.24734%0.344CS..  trans-61.3119.4174.2-62.7-69.6000110.6A39 P40 E124 N125 L129A39-Y135 HydrophobicContact CB-CD1 4.01Å; A39-Y135 HydrophobicContact CB-CE1 4.33Å; P40-Y135 HydrophobicContact CG-CE1 4.48Å; E124-Y135 HydrophobicContact CB-CE1 3.99Å; E124-Y135 HydrophobicContact CB-CE2 4.29Å; E124-Y135 WeakPolarHBondContact CB-OH 3.34Å; E124-Y135 HydrophobicContact CG-CD1 4.44Å; E124-Y135 HydrophobicContact CG-CD2 4.36Å; E124-Y135 HydrophobicContact CG-CE1 4.04Å; E124-Y135 HydrophobicContact CG-CE2 3.91Å; N125-Y135 PolarHBondContact N-OH 2.94Å; N125-Y135 VanDerWaalsContact N-OH 3.13Å; L129-Y135 HydrophobicContact CD1-CD1 3.76Å; L129-Y135 HydrophobicContact CD1-CD2 3.79Å; L129-Y135 HydrophobicContact CD1-CE1 3.58Å; L129-Y135 HydrophobicContact CD1-CE2 3.66Å; L129-Y135 HydrophobicContact CD1-CG 3.85Å; L129-Y135 HydrophobicContact CG-CE1 4.18Å; L129-Y135 HydrophobicContact CG-CE2 4.36Å
136G90.7Very high94.5Very high33 Ų3358 Ų5834%0.3435%0.353SS..  trans-88.2-178.7179.600000112.9G134 S138 S139G134-G136 PolarHBondContact O-N 3.46Å; G136-S138 PolarHBondContact O-N 3.5Å; G136-S139 WeakPolarHBondContact O-CB 3.44Å; G136-S139 PolarHBondContact O-N 2.87Å
137P92.4Very high94.5Very high113 Ų11353.7 Ų53.773%0.73433%0.333SS*.G310 helixtrans-58.2-31.6173.3-23.434.2000113S139 T140P137-S139 PolarHBondContact O-N 2.99Å; P137-T140 PolarHBondContact O-N 2.82Å; P137-T140 PolarHBondContact O-OG1 2.75Å
138S94.4Very high94.5Very high57 Ų5752.9 Ų52.940%0.39933%0.327SS..G310 helixtrans-67.9-15.7176.5-57.10000113.9F42 G136 T140F42-S138 WeakPolarHBondContact CD2-O 3.31Å; F42-S138 PolarHBondContact N-O 2.94Å; G136-S138 PolarHBondContact O-N 3.5Å; S138-T140 PolarHBondContact O-N 2.46Å
139S96.4Very high94.4Very high2 Ų250 Ų501%0.01431%0.306CS..G310 helixtrans-81.95.6171.1-52.40000112.1P40 R122 V123 G136 P137P40-S139 PolarHBondContact O-OG 2.79Å; R122-S139 WeakPolarHBondContact CA-O 3.18Å; V123-S139 PolarHBondContact N-O 2.83Å; G136-S139 WeakPolarHBondContact O-CB 3.44Å; G136-S139 PolarHBondContact O-N 2.87Å; P137-S139 PolarHBondContact O-N 2.99Å
140T97.7Very high94.4Very high44 Ų4452.3 Ų52.327%0.2732%0.317SS..EExtended strand (participates in β ladder)trans-126.3140.3170.858.60000110.8I82 I121 R122 P137 S138I82-T140 HydrophobicContact CD1-CG2 4.31Å; I121-T140 CarbonylContact O-C 3.57Å; I121-T140 WeakPolarHBondContact O-CA 3.46Å; R122-T140 HydrophobicContact CB-CG2 4.22Å; R122-T140 HydrophobicContact CG-CG2 4.26Å; P137-T140 PolarHBondContact O-N 2.82Å; P137-T140 PolarHBondContact O-OG1 2.75Å; S138-T140 PolarHBondContact O-N 2.46Å
141A98.1Very high94.3Very high2 Ų251.7 Ų51.72%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-137.5150.917400000111.3F42 F47 I121F42-A141 HydrophobicContact CB-CB 3.97Å; F42-A141 HydrophobicContact CD1-CB 3.95Å; F42-A141 HydrophobicContact CD2-CB 3.44Å; F42-A141 VanDerWaalsContact CD2-CB 3.44Å; F42-A141 HydrophobicContact CE1-CB 4.29Å; F42-A141 HydrophobicContact CE2-CB 3.82Å; F42-A141 HydrophobicContact CG-CB 3.51Å; F42-A141 HydrophobicContact CZ-CB 4.24Å; F47-A141 HydrophobicContact CD2-CB 4.03Å; F47-A141 HydrophobicContact CE2-CB 3.83Å; I121-A141 PolarHBondContact N-O 2.83Å; I121-A141 PolarHBondContact O-N 3.21Å
142T98.4Very high94.4Very high43 Ų4348.8 Ų48.826%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-92.6137.8174.3-58.80000109.5P45 L46 F47 T118 L119P45-T142 PolarHBondContact O-N 2.83Å; L46-T142 CarbonylContact C-O 3.47Å; L46-T142 WeakPolarHBondContact CA-O 3.23Å; L46-T142 HydrophobicContact CD1-CG2 4.15Å; F47-T142 PolarHBondContact N-O 2.91Å; T118-T142 HydrophobicContact CG2-CG2 3.71Å; L119-T142 CarbonylContact O-C 3.53Å; L119-T142 WeakPolarHBondContact O-CA 3.21Å
143V98.4Very high94.6Very high0 Ų042 Ų420%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7121.3172.1-170.30000109.2F47 V60 L62 L103 L119 I121 V145F47-V143 HydrophobicContact CB-CG1 4.23Å; F47-V143 HydrophobicContact CB-CG2 4.22Å; F47-V143 CarbonylContact O-C 3.47Å; F47-V143 WeakPolarHBondContact O-CA 3.46Å; V60-V143 HydrophobicContact CG1-CG1 4.02Å; L62-V143 HydrophobicContact CD2-CG2 3.71Å; L103-V143 HydrophobicContact CD2-CB 4.31Å; L103-V143 HydrophobicContact CD2-CG1 3.77Å; L103-V143 HydrophobicContact CD2-CG2 4.44Å; L119-V143 HydrophobicContact CB-CB 4.31Å; L119-V143 PolarHBondContact N-O 3.33Å; L119-V143 PolarHBondContact O-N 3.12Å; I121-V143 HydrophobicContact CG1-CG2 3.65Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å
144H98.4Very high94.9Very high68 Ų6839.5 Ų39.532%0.31524%0.241SC..EExtended strand (participates in β ladder)trans-96112.4171.6-70.8177.2000109.4L46 F47 E48 A49 H117L46-H144 HydrophobicContact CD1-CB 4.4Å; F47-H144 PolarHBondContact O-N 3.08Å; E48-H144 WeakPolarHBondContact CA-O 3.44Å; E48-H144 HydrophobicContact CG-CB 4.45Å; A49-H144 PolarHBondContact N-O 2.91Å; H117-H144 WeakPolarHBondContact O-CA 3.27Å
145V98.1Very high95.2Very high1 Ų140.9 Ų40.91%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-102.3118.1173.7-172.40000108.1A49 V51 F90 L103 H117 L119 V143A49-V145 HydrophobicContact CB-CG2 4.38Å; A49-V145 WeakPolarHBondContact O-CA 3.42Å; V51-V145 HydrophobicContact CG1-CG1 3.67Å; F90-V145 HydrophobicContact CE1-CB 4.44Å; F90-V145 HydrophobicContact CE1-CG1 4.23Å; F90-V145 HydrophobicContact CE1-CG2 4.05Å; F90-V145 HydrophobicContact CZ-CB 4.47Å; F90-V145 HydrophobicContact CZ-CG1 4.46Å; F90-V145 HydrophobicContact CZ-CG2 4.39Å; L103-V145 HydrophobicContact CD2-CG2 4.42Å; H117-V145 HydrophobicContact CB-CB 4.2Å; H117-V145 PolarHBondContact N-O 3.15Å; H117-V145 PolarHBondContact O-N 2.87Å; L119-V145 HydrophobicContact CD1-CG2 4.3Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å
146T97.6Very high95.4Very high39 Ų3938.6 Ų38.624%0.23923%0.23CC..EExtended strand (participates in β ladder)trans-95.6121171-54.80000108.3A49 R50 V51 F116A49-T146 PolarHBondContact O-N 2.86Å; R50-T146 WeakPolarHBondContact CA-O 3.47Å; V51-T146 PolarHBondContact N-O 3.04Å; F116-T146 HydrophobicContact CD1-CG2 4.24Å; F116-T146 HydrophobicContact CE1-CG2 3.8Å
147V96.6Very high95.7Very high2 Ų244.2 Ų44.21%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-81.1129.3171.7-1720000107.7V51 E53 L109 Y111 A115V51-V147 CarbonylContact O-C 3.52Å; V51-V147 VanDerWaalsContact O-CA 3.31Å; V51-V147 WeakPolarHBondContact O-CA 3.43Å; E53-V147 HydrophobicContact CB-CG1 3.7Å; L109-V147 HydrophobicContact CB-CG1 4.36Å; L109-V147 HydrophobicContact CB-CG2 4.05Å; L109-V147 HydrophobicContact CD1-CG2 3.79Å; Y111-V147 HydrophobicContact CD2-CB 4.25Å; Y111-V147 HydrophobicContact CD2-CG1 4.34Å; Y111-V147 WeakPolarHBondContact CD2-O 3.48Å; Y111-V147 WeakPolarHBondContact CE2-O 3.49Å; A115-V147 PolarHBondContact O-N 2.74Å
148E94.3Very high96Very high58 Ų5842 Ų4227%0.27123%0.231SC..EExtended strand (participates in β ladder)trans-98.3119.8175.4-64.1-17015700109R50 V51 H52 E53R50-E148 HydrophobicContact CB-CG 4.4Å; R50-E148 WeakPolarHBondContact CD-OE1 3.24Å; R50-E148 IonicContact CZ-OE1 3.96Å; R50-E148 IonicContact NH1-OE1 2.99Å; R50-E148 PolarHBondContact NH1-OE1 2.88Å; V51-E148 PolarHBondContact O-N 3.34Å; H52-E148 WeakPolarHBondContact CA-O 3.32Å; H52-E148 IonicContact CE1-OE2 2.74Å; H52-E148 PolarHBondContact CE1-OE2 2.9Å; H52-E148 VanDerWaalsContact CE1-OE2 3.28Å; H52-E148 IonicContact ND1-OE2 2.88Å; H52-E148 IonicContact NE2-OE2 3.02Å; E53-E148 PolarHBondContact N-O 2.87Å; E53-E148 VanDerWaalsContact N-O 3.09Å
149D92.1Very high96.1Very high54 Ų5443.2 Ų43.229%0.28923%0.233SC..PPolyproline II helixtrans-56.1130.1177.2-174.7-12.7000111.2E53 Y111E53-D149 WeakPolarHBondContact OE1-CA 3.31Å; Y111-D149 HydrophobicContact CD1-CB 3.69Å; Y111-D149 HydrophobicContact CD2-CB 3.91Å; Y111-D149 HydrophobicContact CE1-CB 3.83Å; Y111-D149 HydrophobicContact CE2-CB 4.05Å; Y111-D149 HydrophobicContact CG-CB 3.74Å
150I91.9Very high96.1Very high77 Ų7746.1 Ų46.140%0.39525%0.252SS..  trans-127.1125.8170.1-65.9-172.2000108.2H52 E53 E152H52-I150 HydrophobicContact CB-CD1 3.51Å; H52-I150 HydrophobicContact CB-CG1 4.16Å; E53-I150 HydrophobicContact CG-CB 4.28Å; E53-I150 PolarHBondContact OE1-N 3.27Å; I150-E152 WeakPolarHBondContact O-CG 3.45Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-E152 VanDerWaalsContact O-N 3.12Å
151N92.6Very high96.2Very high31 Ų3145.3 Ų45.317%0.16625%0.246CC..  trans-38.9114.7173.1-170.7102.6000114.7D184 Q189 D238 G240 A244N151-D184 VanDerWaalsContact CA-OD2 3.28Å; N151-D184 WeakPolarHBondContact CA-OD2 3.17Å; N151-D184 PolarHBondContact OD1-OD2 3.37Å; N151-Q189 VanDerWaalsContact OD1-CD 3.26Å; N151-Q189 PolarHBondContact OD1-NE2 2.87Å; N151-Q189 PolarHBondContact OD1-OE1 2.87Å; N151-Q189 VanDerWaalsContact OD1-OE1 3.05Å; N151-D238 PolarHBondContact ND2-OD2 2.76Å; N151-D238 VanDerWaalsContact ND2-OD2 3.1Å; N151-G240 VanDerWaalsContact OD1-CA 3.22Å; N151-G240 WeakPolarHBondContact OD1-CA 3.4Å; N151-A244 VanDerWaalsContact ND2-CB 3.27Å; N151-A244 WeakPolarHBondContact ND2-CB 3.17Å
152E92Very high96.2Very high67 Ų6750 Ų5031%0.31327%0.27SS..PPolyproline II helixtrans-95162.8174.5-62.4-160.8104.900112.3I150 P183 D184I150-E152 WeakPolarHBondContact O-CG 3.45Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-E152 VanDerWaalsContact O-N 3.12Å; E152-P183 HydrophobicContact CB-CB 4.41Å; E152-P183 HydrophobicContact CB-CG 4.12Å; E152-P183 VanDerWaalsContact OE2-CB 3.32Å; E152-P183 WeakPolarHBondContact OE2-CB 3.36Å; E152-D184 WeakPolarHBondContact CB-OD1 3.28Å; E152-D184 PolarHBondContact N-OD1 3.27Å; E152-D184 PolarHBondContact N-OD2 3.03Å
153G93.4Very high96.2Very high21 Ų2148.9 Ų48.922%0.21626%0.263CS..PPolyproline II helixtrans-87.4150.7-18000000112.4V155G153-V155 PolarHBondContact O-N 3.44Å
154P95.9Very high96.2Very high1 Ų151.9 Ų51.91%0.00628%0.282CS..PPolyproline II helixtrans-58.4133.8176.1-25.532.4000113.3A180 I191 A236 D238 G246P154-A180 HydrophobicContact CB-CB 4.12Å; P154-I191 HydrophobicContact CB-CD1 4.06Å; P154-I191 HydrophobicContact CB-CG1 4.21Å; P154-I191 HydrophobicContact CB-CG2 4.19Å; P154-I191 HydrophobicContact CG-CD1 4.35Å; P154-I191 HydrophobicContact CG-CG1 3.98Å; P154-I191 HydrophobicContact CG-CG2 4.15Å; P154-A236 HydrophobicContact CB-CB 3.82Å; P154-A236 HydrophobicContact CG-CB 4.25Å; P154-D238 HydrophobicContact CG-CB 3.95Å; P154-G246 VanDerWaalsContact O-CA 3.24Å; P154-G246 WeakPolarHBondContact O-CA 3.37Å
155V96.6Very high96.2Very high82 Ų8252.2 Ų52.250%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-102.5126.6-179-176.10000110.7G153 A180 S181 P183G153-V155 PolarHBondContact O-N 3.44Å; V155-A180 CarbonylContact O-C 3.56Å; V155-A180 VanDerWaalsContact O-CA 3.22Å; V155-A180 WeakPolarHBondContact O-CA 3.48Å; V155-S181 PolarHBondContact N-O 2.78Å; V155-S181 PolarHBondContact O-N 3.12Å; V155-P183 HydrophobicContact CG2-CG 4.01Å
156F97.9Very high96.1Very high16 Ų1655.5 Ų55.57%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-76.9137.7176.4-74.8-98000111.8D159 L178 N179 A180 Y193 F234 A236 G246F156-D159 HydrophobicContact CB-CB 4.22Å; F156-L178 HydrophobicContact CD1-CB 4.47Å; F156-L178 HydrophobicContact CE1-CB 4.1Å; F156-L178 HydrophobicContact CE1-CD1 4.23Å; F156-N179 WeakPolarHBondContact CA-O 3.36Å; F156-A180 HydrophobicContact CD1-CB 4.11Å; F156-A180 HydrophobicContact CD2-CB 4.25Å; F156-A180 HydrophobicContact CE1-CB 4.22Å; F156-A180 HydrophobicContact CE2-CB 4.35Å; F156-A180 HydrophobicContact CG-CB 4.14Å; F156-A180 HydrophobicContact CZ-CB 4.35Å; F156-Y193 HydrophobicContact CE1-CD1 4.08Å; F156-Y193 AromaticContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CZ-CD1 4.21Å; F156-Y193 HydrophobicContact CZ-CE1 4.31Å; F156-F234 HydrophobicContact CE1-CB 4.5Å; F156-F234 HydrophobicContact CZ-CB 4.37Å; F156-A236 HydrophobicContact CD2-CB 4.46Å; F156-A236 HydrophobicContact CE1-CB 4.47Å; F156-A236 HydrophobicContact CE2-CB 3.46Å; F156-A236 VanDerWaalsContact CE2-CB 3.46Å; F156-A236 HydrophobicContact CZ-CB 3.48Å; F156-A236 VanDerWaalsContact CZ-CB 3.48Å; F156-G246 WeakPolarHBondContact CE2-O 3.17Å
157F96.4Very high96Very high150 Ų15053.9 Ų53.966%0.65829%0.286SS*.SBendtrans-146.5126.9173.3-176.6-96.7000112.6N179F157-N179 PolarHBondContact N-O 2.97Å; F157-N179 PolarHBondContact O-ND2 2.73Å
158P97.7Very high96Very high67 Ų6757.3 Ų57.344%0.43530%0.304SS..SBendcis-72.8153.6-6.232.1-36000112.2L161P158-L161 HydrophobicContact CG-CD1 3.71Å; P158-L161 PolarHBondContact O-N 2.8Å
159D96.9Very high96.1Very high83 Ų8356 Ų5644%0.44430%0.3SS..SBendtrans-133.4118.1172.6-172.444.4000110.5F156 T249F156-D159 HydrophobicContact CB-CB 4.22Å; D159-T249 WeakPolarHBondContact OD1-CB 3.49Å; D159-T249 PolarHBondContact OD1-N 2.81Å
160P97.9Very high96.4Very high62 Ų6257.9 Ų57.940%0.40332%0.315SS..SBendcis-71.4145.2-1.531.2-35.5000112.5L162 T249 I251P160-L162 HydrophobicContact CB-CD2 4.39Å; P160-L162 HydrophobicContact CG-CD2 4.26Å; P160-T249 CarbonylContact C-O 3.55Å; P160-T249 WeakPolarHBondContact CA-O 3.49Å; P160-T249 HydrophobicContact CB-CG2 4.08Å; P160-I251 HydrophobicContact CB-CD1 3.92Å; P160-I251 HydrophobicContact CB-CG1 4.21Å; P160-I251 HydrophobicContact CG-CD1 4.16Å
161L98.4Very high96.7Very high28 Ų2858.2 Ų58.215%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-79.1122.5167.417959.8000109.4P158 V163 A176 L178 T249 L250 I251P158-L161 HydrophobicContact CG-CD1 3.71Å; P158-L161 PolarHBondContact O-N 2.8Å; L161-V163 HydrophobicContact CG-CG1 4.35Å; L161-A176 HydrophobicContact CD2-CB 3.96Å; L161-L178 HydrophobicContact CD2-CD2 4.06Å; L161-T249 PolarHBondContact N-O 3.36Å; L161-L250 HydrophobicContact CB-CD1 4.1Å; L161-L250 HydrophobicContact CD2-CD1 3.98Å; L161-L250 HydrophobicContact CG-CD1 3.91Å; L161-I251 PolarHBondContact O-N 2.87Å
162L98.4Very high96.9Very high100 Ų10058.9 Ų58.952%0.52434%0.335SS..EExtended strand (participates in β ladder)trans-105.1128179.1-53.8-179.1000110.2P160 I251P160-L162 HydrophobicContact CB-CD2 4.39Å; P160-L162 HydrophobicContact CG-CD2 4.26Å; L162-I251 WeakPolarHBondContact CA-O 3.33Å; L162-I251 HydrophobicContact CD2-CB 3.62Å; L162-I251 HydrophobicContact CD2-CD1 3.86Å; L162-I251 HydrophobicContact CD2-CG1 4.11Å; L162-I251 HydrophobicContact CD2-CG2 4.17Å
163V98.2Very high97.2Very high19 Ų1957.3 Ų57.312%0.11533%0.331CS..EExtended strand (participates in β ladder)trans-136.2153.6174.1-620000110.9L161 V175 A176 L250 I251 I252 H253L161-V163 HydrophobicContact CG-CG1 4.35Å; V163-V175 HydrophobicContact CG2-CG1 4.21Å; V163-A176 HydrophobicContact CG1-CB 3.92Å; V163-A176 HydrophobicContact CG2-CB 4.47Å; V163-L250 HydrophobicContact CG1-CD1 4.42Å; V163-L250 HydrophobicContact CG2-CD1 3.96Å; V163-I251 PolarHBondContact N-O 2.87Å; V163-I252 HydrophobicContact CG2-CB 4.29Å; V163-I252 HydrophobicContact CG2-CG1 3.93Å; V163-I252 HydrophobicContact CG2-CG2 4.24Å; V163-I252 CarbonylContact O-C 3.58Å; V163-I252 WeakPolarHBondContact O-CA 3.05Å; V163-H253 PolarHBondContact O-N 2.93Å
164T98.4Very high97.4Very high64 Ų6461.3 Ų61.339%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-115128.5175.2-55.80000110.2H253 E255T164-H253 CarbonylContact C-O 3.57Å; T164-H253 VanDerWaalsContact CA-O 3.27Å; T164-H253 WeakPolarHBondContact CA-O 3.41Å; T164-H253 HydrophobicContact CG2-CB 4.22Å; T164-E255 HydrophobicContact CG2-CG 3.52Å; T164-E255 VanDerWaalsContact CG2-OE1 3.31Å; T164-E255 WeakPolarHBondContact CG2-OE1 3.41Å
165R98.1Very high97.5Very high75 Ų7561.3 Ų61.328%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-137.1142179.3-64.1-65.3170.5-108.43.4110.2V175 L218 I252 H253 L254 E255R165-V175 HydrophobicContact CG-CG1 4.45Å; R165-V175 PolarHBondContact NE-O 3.01Å; R165-V175 PolarHBondContact NH2-O 3.41Å; R165-L218 HydrophobicContact CB-CD1 4.46Å; R165-I252 HydrophobicContact CB-CG2 4.18Å; R165-I252 HydrophobicContact CG-CG2 4.26Å; R165-H253 PolarHBondContact N-O 2.91Å; R165-L254 WeakPolarHBondContact O-CA 3.41Å; R165-E255 PolarHBondContact O-N 3.36Å
166M96.6Very high97.6Very high70 Ų7057.5 Ų57.535%0.34532%0.32SS..EExtended strand (participates in β ladder)trans-67.3142.8166.1-73.4-70.1-11700109.4N168 V169 E255M166-N168 VanDerWaalsContact C-N 3.3Å; M166-N168 WeakPolarHBondContact CB-OD1 3.39Å; M166-N168 PolarHBondContact O-N 2.86Å; M166-V169 HydrophobicContact CB-CG1 4.37Å; M166-V169 VanDerWaalsContact O-CG1 3.3Å; M166-V169 WeakPolarHBondContact O-CG1 3.42Å; M166-V169 WeakPolarHBondContact O-CG2 3.44Å; M166-E255 HydrophobicContact CG-CB 4.25Å; M166-E255 HydrophobicContact SD-CB 3.31Å; M166-E255 WeakPolarHBondContact SD-CB 3.24Å; M166-E255 HydrophobicContact SD-CG 4.43Å
167E96.1Very high97.6Very high4 Ų459.9 Ų59.92%0.01934%0.339CS..THydrogen-bonded Turntrans-69-29.7179.368.8-167.8122.700113.5V169 L218 R220 E255 D256 Y257E167-V169 PolarHBondContact O-N 2.78Å; E167-L218 HydrophobicContact CB-CB 4.38Å; E167-R220 VanDerWaalsContact OE2-CB 3.24Å; E167-R220 WeakPolarHBondContact OE2-CB 3.22Å; E167-R220 PolarHBondContact OE2-N 2.75Å; E167-E255 PolarHBondContact N-O 3.37Å; E167-D256 WeakPolarHBondContact OE1-CA 3.39Å; E167-Y257 PolarHBondContact OE1-N 3.43Å
168N95.4Very high97.6Very high74 Ų7453.1 Ų53.140%0.39631%0.309SS..THydrogen-bonded Turntrans-77.111.4-178.978.8-26.5000114.7M166 Y257M166-N168 VanDerWaalsContact C-N 3.3Å; M166-N168 WeakPolarHBondContact CB-OD1 3.39Å; M166-N168 PolarHBondContact O-N 2.86Å; N168-Y257 HydrophobicContact CB-CD1 3.51Å; N168-Y257 HydrophobicContact CB-CD2 4.16Å; N168-Y257 HydrophobicContact CB-CE1 3.94Å; N168-Y257 HydrophobicContact CB-CG 3.63Å; N168-Y257 VanDerWaalsContact ND2-CD2 3.27Å; N168-Y257 WeakPolarHBondContact ND2-CD2 3.34Å; N168-Y257 WeakPolarHBondContact ND2-CE2 3.47Å
169V96.9Very high97.6Very high32 Ų3254.4 Ų54.419%0.19431%0.313CS..PPolyproline II helixtrans-61.8136176.3-70.10000110.2M166 E167 T214 L218M166-V169 HydrophobicContact CB-CG1 4.37Å; M166-V169 VanDerWaalsContact O-CG1 3.3Å; M166-V169 WeakPolarHBondContact O-CG1 3.42Å; M166-V169 WeakPolarHBondContact O-CG2 3.44Å; E167-V169 PolarHBondContact O-N 2.78Å; V169-T214 HydrophobicContact CG2-CG2 4.11Å; V169-L218 HydrophobicContact CG2-CD1 3.65Å; V169-L218 HydrophobicContact CG2-CG 4.23Å
170P97.7Very high97.5Very high93 Ų9350.8 Ų50.860%0.60429%0.294SS*.PPolyproline II helixtrans-58.9150.6178-25.233.7000112.5G172 S173 T214P170-G172 PolarHBondContact O-N 2.82Å; P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact O-CB 3.35Å; P170-S173 PolarHBondContact O-N 3.04Å; P170-S173 VanDerWaalsContact O-N 3.15Å; P170-S173 PolarHBondContact O-OG 3.27Å; P170-T214 PolarHBondContact O-OG1 2.94Å
171V98.1Very high97.4Very high83 Ų8351.1 Ų51.150%0.50330%0.298SS..THydrogen-bonded Turntrans-59.1136.8169.8-178.40000109.8T214 S215V171-T214 WeakPolarHBondContact CA-OG1 3.39Å; V171-S215 WeakPolarHBondContact CG1-O 3.25Å
172G97.5Very high97.1Very high46 Ų4651.2 Ų51.247%0.47430%0.298SS..THydrogen-bonded Turntrans89.80.4-173.700000114.5P170 T214P170-G172 PolarHBondContact O-N 2.82Å; G172-T214 VanDerWaalsContact CA-O 3.28Å; G172-T214 WeakPolarHBondContact CA-O 3.2Å; G172-T214 PolarHBondContact N-O 2.71Å; G172-T214 PolarHBondContact N-OG1 2.98Å
173S98.1Very high96.8Very high33 Ų3348.2 Ų48.223%0.23129%0.285CS..  trans-70148.6177.8-650000112.1P170 V175 N213 T214P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact O-CB 3.35Å; P170-S173 PolarHBondContact O-N 3.04Å; P170-S173 VanDerWaalsContact O-N 3.15Å; P170-S173 PolarHBondContact O-OG 3.27Å; S173-V175 PolarHBondContact O-N 2.91Å; S173-N213 CarbonylContact O-C 3.53Å; S173-N213 WeakPolarHBondContact O-CA 3.35Å; S173-N213 WeakPolarHBondContact O-CB 3.22Å; S173-T214 PolarHBondContact N-OG1 3.3Å; S173-T214 PolarHBondContact O-N 3.4Å
174F98.3Very high96.4Very high106 Ų10648 Ų4847%0.46528%0.283SS..EExtended strand (participates in β ladder)trans-68.9127.3173.9173.5-102.3000111.4A176 T211 N213F174-A176 WeakPolarHBondContact CE2-O 3.34Å; F174-T211 HydrophobicContact CD2-CG2 3.54Å; F174-T211 HydrophobicContact CE2-CG2 3.66Å; F174-N213 WeakPolarHBondContact CA-OD1 3.27Å
175V98.3Very high95.5Very high1 Ų150.1 Ų50.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-101.5-58.3177.6177.10000110.1V163 R165 S173 L203 V212 T214 L250 I252V163-V175 HydrophobicContact CG2-CG1 4.21Å; R165-V175 HydrophobicContact CG-CG1 4.45Å; R165-V175 PolarHBondContact NE-O 3.01Å; R165-V175 PolarHBondContact NH2-O 3.41Å; S173-V175 PolarHBondContact O-N 2.91Å; V175-L203 HydrophobicContact CG1-CD2 4.44Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; V175-V212 WeakPolarHBondContact CA-O 3.42Å; V175-V212 HydrophobicContact CB-CB 4.45Å; V175-V212 HydrophobicContact CB-CG1 4.17Å; V175-V212 WeakPolarHBondContact CB-O 3.4Å; V175-V212 HydrophobicContact CG1-CG1 4.49Å; V175-V212 PolarHBondContact N-O 3.43Å; V175-T214 HydrophobicContact CG2-CG2 3.51Å; V175-L250 HydrophobicContact CG1-CD2 4.32Å; V175-I252 HydrophobicContact CG1-CD1 3.59Å; V175-I252 HydrophobicContact CG1-CG1 4.13Å
176A97.9Very high94.5Very high2 Ų252 Ų522%0.01731%0.311CS..EExtended strand (participates in β ladder)trans-156.3163.3-174.600000111.2L161 V163 F174 V212 L250L161-A176 HydrophobicContact CD2-CB 3.96Å; V163-A176 HydrophobicContact CG1-CB 3.92Å; V163-A176 HydrophobicContact CG2-CB 4.47Å; F174-A176 WeakPolarHBondContact CE2-O 3.34Å; A176-V212 PolarHBondContact N-O 3.03Å; A176-V212 PolarHBondContact O-N 3.05Å; A176-L250 HydrophobicContact CB-CD1 3.89Å; A176-L250 HydrophobicContact CB-CD2 4.28Å
177S97.8Very high93.3Very high66 Ų6654.2 Ų54.246%0.46232%0.32SS..EExtended strand (participates in β ladder)trans-112.8114.8166.1-162.40000107.7
178L97.9Very high92.5Very high8 Ų862.3 Ų62.34%0.04236%0.362CS..  trans-72.7143.6170.5-57.8173.1000108.7F156 L161 Y193 V205 G210 V212 F234F156-L178 HydrophobicContact CD1-CB 4.47Å; F156-L178 HydrophobicContact CE1-CB 4.1Å; F156-L178 HydrophobicContact CE1-CD1 4.23Å; L161-L178 HydrophobicContact CD2-CD2 4.06Å; L178-Y193 HydrophobicContact CB-CD1 4.26Å; L178-Y193 HydrophobicContact CB-CE1 4.14Å; L178-Y193 HydrophobicContact CD1-CD1 4.43Å; L178-V205 HydrophobicContact CD1-CG2 4.07Å; L178-G210 WeakPolarHBondContact CB-O 3.39Å; L178-G210 PolarHBondContact N-O 3.08Å; L178-V212 HydrophobicContact CD1-CG2 3.72Å; L178-V212 HydrophobicContact CD2-CG2 4.38Å; L178-V212 HydrophobicContact CG-CG2 3.73Å; L178-F234 HydrophobicContact CD1-CB 3.63Å; L178-F234 HydrophobicContact CD1-CD1 3.59Å; L178-F234 HydrophobicContact CD1-CD2 3.8Å; L178-F234 HydrophobicContact CD1-CE1 4.17Å; L178-F234 HydrophobicContact CD1-CE2 4.38Å; L178-F234 HydrophobicContact CD1-CG 3.37Å; L178-F234 HydrophobicContact CD2-CD2 4.3Å
179N96.1Very high92Very high94 Ų9459.7 Ų59.750%0.50335%0.348SS..  trans-131.8114.3176.6-177.352.3000107.6F156 F157F156-N179 WeakPolarHBondContact CA-O 3.36Å; F157-N179 PolarHBondContact N-O 2.97Å; F157-N179 PolarHBondContact O-ND2 2.73Å
180A96.4Very high91.8Very high7 Ų761.1 Ų61.16%0.05836%0.359CS..EExtended strand (participates in β ladder)trans-121.3142170.200000109P154 V155 F156 I191 Y193 A236P154-A180 HydrophobicContact CB-CB 4.12Å; V155-A180 CarbonylContact O-C 3.56Å; V155-A180 VanDerWaalsContact O-CA 3.22Å; V155-A180 WeakPolarHBondContact O-CA 3.48Å; F156-A180 HydrophobicContact CD1-CB 4.11Å; F156-A180 HydrophobicContact CD2-CB 4.25Å; F156-A180 HydrophobicContact CE1-CB 4.22Å; F156-A180 HydrophobicContact CE2-CB 4.35Å; F156-A180 HydrophobicContact CG-CB 4.14Å; F156-A180 HydrophobicContact CZ-CB 4.35Å; A180-I191 HydrophobicContact CB-CG2 4.45Å; A180-I191 VanDerWaalsContact O-CD1 3.25Å; A180-I191 WeakPolarHBondContact O-CD1 3.14Å; A180-Y193 HydrophobicContact CB-CE1 3.81Å; A180-Y193 PolarHBondContact N-OH 2.96Å; A180-Y193 PolarHBondContact O-OH 2.82Å; A180-A236 HydrophobicContact CB-CB 3.88Å
181S94.3Very high91.7Very high68 Ų6858.1 Ų58.148%0.47634%0.338SS..EExtended strand (participates in β ladder)trans-125.5137.9176.153.10000109.6V155V155-S181 PolarHBondContact N-O 2.78Å; V155-S181 PolarHBondContact O-N 3.12Å
182D93.3Very high91.7Very high30 Ų3060.5 Ų60.516%0.1634%0.338CS..  trans-80.3130.3173.7-149.1-67.3000109.9D184 I191 D238D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 2.88Å; D182-D184 VanDerWaalsContact OD1-N 3.1Å; D182-I191 HydrophobicContact CB-CD1 4.35Å; D182-D238 WeakPolarHBondContact OD2-CB 3.47Å
183P91.3Very high91.7Very high38 Ų3859.2 Ų59.225%0.24732%0.319CS..  trans-65.2-32.9174.1-20.333.7000113.2E112 E152 V155 V185E112-P183 HydrophobicContact CG-CB 4.49Å; E112-P183 WeakPolarHBondContact CG-O 3.35Å; E152-P183 HydrophobicContact CB-CB 4.41Å; E152-P183 HydrophobicContact CB-CG 4.12Å; E152-P183 VanDerWaalsContact OE2-CB 3.32Å; E152-P183 WeakPolarHBondContact OE2-CB 3.36Å; V155-P183 HydrophobicContact CG2-CG 4.01Å; P183-V185 PolarHBondContact O-N 3.27Å
184D89.9Confident91.7Very high13 Ų1359.7 Ų59.77%0.0732%0.324CS..  trans-61.9119.9-170.3-60.4-24.2000111.1N151 E152 D182N151-D184 VanDerWaalsContact CA-OD2 3.28Å; N151-D184 WeakPolarHBondContact CA-OD2 3.17Å; N151-D184 PolarHBondContact OD1-OD2 3.37Å; E152-D184 WeakPolarHBondContact CB-OD1 3.28Å; E152-D184 PolarHBondContact N-OD1 3.27Å; E152-D184 PolarHBondContact N-OD2 3.03Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 2.88Å; D182-D184 VanDerWaalsContact OD1-N 3.1Å
185V79.1Confident91.7Very high109 Ų10957.5 Ų57.566%0.66132%0.319SS*.SBendtrans-91.3-30.3-174.5176.50000112.7E112 P183E112-V185 HydrophobicContact CG-CG2 4.13Å; P183-V185 PolarHBondContact O-N 3.27Å
186L77.5Confident91.7Very high115 Ų11562 Ų6260%0.60234%0.343SS*.SBendtrans-75.9-29.1-175.8-73-173.6000113Y111Y111-L186 HydrophobicContact CE1-CD1 3.76Å; Y111-L186 HydrophobicContact CE1-CG 4.03Å; Y111-L186 WeakPolarHBondContact OH-CD1 3.27Å
187E72.6Confident91.8Very high116 Ų11664.4 Ų64.454%0.54236%0.36SS..SBendtrans-115.4113.7178-64.4-165.7168.900110.2Q189E187-Q189 HydrophobicContact CB-CG 3.92Å; E187-Q189 WeakPolarHBondContact O-CG 3.45Å; E187-Q189 PolarHBondContact O-N 2.89Å; E187-Q189 PolarHBondContact OE2-NE2 3.21Å; E187-Q189 VanDerWaalsContact OE2-NE2 3.08Å
188I77.8Confident91.8Very high174 Ų17462.4 Ų62.489%0.89234%0.344SS*.  trans-74.497.8170-59.6176.4000107.5
189Q85.8Confident91.8Very high20 Ų2065.4 Ų65.49%0.09336%0.364CS..PPolyproline II helixtrans-89.9147.1-179.4-61.2-170.11.500112.1N151 E187 D238 N239N151-Q189 VanDerWaalsContact OD1-CD 3.26Å; N151-Q189 PolarHBondContact OD1-NE2 2.87Å; N151-Q189 PolarHBondContact OD1-OE1 2.87Å; N151-Q189 VanDerWaalsContact OD1-OE1 3.05Å; E187-Q189 HydrophobicContact CB-CG 3.92Å; E187-Q189 WeakPolarHBondContact O-CG 3.45Å; E187-Q189 PolarHBondContact O-N 2.89Å; E187-Q189 PolarHBondContact OE2-NE2 3.21Å; E187-Q189 VanDerWaalsContact OE2-NE2 3.08Å; Q189-D238 HydrophobicContact CB-CB 4.25Å; Q189-N239 VanDerWaalsContact CA-OD1 3.26Å; Q189-N239 WeakPolarHBondContact CA-OD1 3.41Å; Q189-N239 WeakPolarHBondContact CB-OD1 3.22Å
190S92.1Very high91.8Very high62 Ų6261.9 Ų61.943%0.43435%0.348SS..PPolyproline II helixtrans-90.7120.4176.273.90000110N239S190-N239 PolarHBondContact N-OD1 3.42Å; S190-N239 PolarHBondContact OG-OD1 2.54Å
191I95.7Very high91.9Very high30 Ų3064.8 Ų64.815%0.15437%0.372CS..PPolyproline II helixtrans-87.8132-179.8-58168.6000110.3P154 A180 D182 Y193 A236P154-I191 HydrophobicContact CB-CD1 4.06Å; P154-I191 HydrophobicContact CB-CG1 4.21Å; P154-I191 HydrophobicContact CB-CG2 4.19Å; P154-I191 HydrophobicContact CG-CD1 4.35Å; P154-I191 HydrophobicContact CG-CG1 3.98Å; P154-I191 HydrophobicContact CG-CG2 4.15Å; A180-I191 HydrophobicContact CB-CG2 4.45Å; A180-I191 VanDerWaalsContact O-CD1 3.25Å; A180-I191 WeakPolarHBondContact O-CD1 3.14Å; D182-I191 HydrophobicContact CB-CD1 4.35Å; I191-Y193 HydrophobicContact CG2-CD2 4.49Å; I191-Y193 HydrophobicContact CG2-CE1 4.38Å; I191-Y193 HydrophobicContact CG2-CE2 3.99Å; I191-A236 HydrophobicContact CG2-CB 3.69Å
192R97.7Very high92.1Very high133 Ų13362.7 Ų62.750%0.50235%0.353SS..EExtended strand (participates in β ladder)trans-113.6127.1173.6-68.6-66.1-172.6154.8-0.8111.4P207 A236 T237R192-P207 VanDerWaalsContact CA-O 3.27Å; R192-P207 WeakPolarHBondContact CA-O 3.42Å; R192-P207 WeakPolarHBondContact CD-O 3.49Å; R192-A236 CarbonylContact O-C 3.57Å; R192-A236 WeakPolarHBondContact O-CA 3.43Å; R192-T237 PolarHBondContact N-O 3.27Å; R192-T237 PolarHBondContact O-N 3.27Å
193Y98.4Very high92.4Very high19 Ų1961.6 Ų61.68%0.07535%0.348CS..EExtended strand (participates in β ladder)trans-96.2140.2179.6-59.5-92.6000111.7F156 L178 A180 I191 P207 V235 A236F156-Y193 HydrophobicContact CE1-CD1 4.08Å; F156-Y193 AromaticContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CZ-CD1 4.21Å; F156-Y193 HydrophobicContact CZ-CE1 4.31Å; L178-Y193 HydrophobicContact CB-CD1 4.26Å; L178-Y193 HydrophobicContact CB-CE1 4.14Å; L178-Y193 HydrophobicContact CD1-CD1 4.43Å; A180-Y193 HydrophobicContact CB-CE1 3.81Å; A180-Y193 PolarHBondContact N-OH 2.96Å; A180-Y193 PolarHBondContact O-OH 2.82Å; I191-Y193 HydrophobicContact CG2-CD2 4.49Å; I191-Y193 HydrophobicContact CG2-CE1 4.38Å; I191-Y193 HydrophobicContact CG2-CE2 3.99Å; Y193-P207 PolarHBondContact N-O 2.87Å; Y193-P207 WeakPolarHBondContact O-CA 3.3Å; Y193-V235 CarbonylContact C-O 3.6Å; Y193-V235 WeakPolarHBondContact CA-O 3.28Å; Y193-A236 HydrophobicContact CD1-CB 4.31Å; Y193-A236 HydrophobicContact CE1-CB 4.31Å
194A98.4Very high92.7Very high43 Ų4362.3 Ų62.336%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-143.7158.4171.500000111.7L196 F234 V235A194-L196 PolarHBondContact O-N 2.87Å; A194-F234 WeakPolarHBondContact O-CA 3.31Å; A194-V235 HydrophobicContact CB-CG1 3.81Å; A194-V235 PolarHBondContact N-O 3.25Å; A194-V235 PolarHBondContact O-N 2.85Å
195V98.4Very high93.1Very high59 Ų5962.8 Ų62.836%0.35836%0.357SS..EExtended strand (participates in β ladder)trans-76122.9171.6-176.50000108D198 V205 F234V195-D198 HydrophobicContact CG1-CB 3.6Å; V195-V205 HydrophobicContact CG2-CG1 3.97Å; V195-F234 HydrophobicContact CG2-CD1 4.25Å; V195-F234 HydrophobicContact CG2-CE1 3.87Å
196L98.4Very high94Very high96 Ų9660.5 Ų60.550%0.50334%0.341SS..EExtended strand (participates in β ladder)trans-92.2-44.3174.3-178.864.4000110.9A194 L233 V235 T247A194-L196 PolarHBondContact O-N 2.87Å; L196-L233 WeakPolarHBondContact CA-O 3.49Å; L196-L233 HydrophobicContact CB-CB 4.19Å; L196-L233 WeakPolarHBondContact CB-O 3.49Å; L196-L233 HydrophobicContact CD2-CB 4.33Å; L196-L233 PolarHBondContact N-O 3.26Å; L196-V235 HydrophobicContact CB-CB 4.3Å; L196-V235 HydrophobicContact CB-CG1 4.43Å; L196-T247 HydrophobicContact CD2-CG2 3.74Å
197S98.4Very high95Very high53 Ų5357.8 Ų57.837%0.37133%0.33SS..EExtended strand (participates in β ladder)trans-149.8125.5178.1-174.50000111.1A232 L233S197-A232 CarbonylContact O-C 3.5Å; S197-A232 WeakPolarHBondContact O-CA 3.4Å; S197-L233 PolarHBondContact N-O 3.06Å; S197-L233 PolarHBondContact O-N 2.98Å
198D98.1Very high96.1Very high23 Ų2356.7 Ų56.712%0.12333%0.331CS..  trans-144.788.3177.8-179.427000108.2V195 A200 A201 W202 L203 Y230V195-D198 HydrophobicContact CG1-CB 3.6Å; D198-A200 PolarHBondContact O-N 2.89Å; D198-A200 VanDerWaalsContact O-N 3.08Å; D198-A201 PolarHBondContact O-N 2.92Å; D198-A201 WeakPolarHBondContact OD2-CA 3.39Å; D198-W202 PolarHBondContact OD2-N 3.18Å; D198-L203 PolarHBondContact OD2-N 3.02Å; D198-Y230 VanDerWaalsContact OD1-CE1 3.24Å; D198-Y230 WeakPolarHBondContact OD1-CE1 3.38Å; D198-Y230 VanDerWaalsContact OD1-CZ 3.24Å; D198-Y230 PolarHBondContact OD1-OH 2.83Å
199P97.8Very high97Very high71 Ų7156 Ų5646%0.46132%0.317SS..THydrogen-bonded Turntrans-55.9-31.9-164.9-29.635.8000115.6Y224P199-Y224 HydrophobicContact CB-CD1 3.75Å; P199-Y224 HydrophobicContact CB-CE1 4.24Å; P199-Y224 HydrophobicContact CB-CG 4.4Å
200A97.5Very high97.5Very high21 Ų2155 Ų5517%0.17431%0.313CS..THydrogen-bonded Turntrans-102.7-0.3-179.700000113.6D198 W202 Y224 Y230D198-A200 PolarHBondContact O-N 2.89Å; D198-A200 VanDerWaalsContact O-N 3.08Å; A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 3.54Å; A200-W202 HydrophobicContact CB-CE3 4.14Å; A200-W202 HydrophobicContact CB-CG 3.83Å; A200-W202 HydrophobicContact CB-CH2 4.27Å; A200-W202 HydrophobicContact CB-CZ2 3.69Å; A200-W202 HydrophobicContact CB-CZ3 4.47Å; A200-W202 PolarHBondContact O-N 2.98Å; A200-W202 PolarHBondContact O-NE1 2.96Å; A200-Y224 HydrophobicContact CB-CD2 3.54Å; A200-Y224 HydrophobicContact CB-CE2 4.07Å; A200-Y224 HydrophobicContact CB-CG 3.93Å; A200-Y230 HydrophobicContact CB-CE2 3.89Å; A200-Y230 WeakPolarHBondContact CB-OH 3.06Å; A200-Y230 PolarHBondContact N-OH 2.79Å
201A97.9Very high97.8Very high67 Ų6752.7 Ų52.755%0.55430%0.296SS*.  trans55.537-178.100000114.1D198 S215D198-A201 PolarHBondContact O-N 2.92Å; D198-A201 WeakPolarHBondContact OD2-CA 3.39Å; A201-S215 PolarHBondContact O-OG 3.15Å; A201-S215 VanDerWaalsContact O-OG 3.05Å
202W98.4Very high97.9Very high24 Ų2451.2 Ų51.29%0.09129%0.288CS..  trans-88.4-11.1-177.3-65.4-13.3000114.4D198 A200 T214 S215 A216 L218 D219 S222 V225 Y230 L254D198-W202 PolarHBondContact OD2-N 3.18Å; A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 3.54Å; A200-W202 HydrophobicContact CB-CE3 4.14Å; A200-W202 HydrophobicContact CB-CG 3.83Å; A200-W202 HydrophobicContact CB-CH2 4.27Å; A200-W202 HydrophobicContact CB-CZ2 3.69Å; A200-W202 HydrophobicContact CB-CZ3 4.47Å; A200-W202 PolarHBondContact O-N 2.98Å; A200-W202 PolarHBondContact O-NE1 2.96Å; W202-T214 CarbonylContact O-C 3.55Å; W202-T214 WeakPolarHBondContact O-CA 3.36Å; W202-S215 PolarHBondContact O-N 2.99Å; W202-S215 PolarHBondContact O-OG 3.12Å; W202-S215 VanDerWaalsContact O-OG 3.13Å; W202-A216 PolarHBondContact O-N 3.4Å; W202-L218 HydrophobicContact CB-CD2 3.85Å; W202-L218 HydrophobicContact CD2-CD2 4.16Å; W202-L218 HydrophobicContact CE3-CD2 3.77Å; W202-L218 HydrophobicContact CG-CD2 4.27Å; W202-D219 HydrophobicContact CH2-CB 4.08Å; W202-D219 WeakPolarHBondContact CH2-O 3.43Å; W202-D219 HydrophobicContact CZ2-CB 4.04Å; W202-S222 VanDerWaalsContact CH2-CB 3.49Å; W202-S222 WeakPolarHBondContact CH2-OG 3.33Å; W202-V225 HydrophobicContact CH2-CG2 4.02Å; W202-V225 HydrophobicContact CZ3-CG2 3.96Å; W202-Y230 HydrophobicContact CD2-CE2 4.45Å; W202-Y230 HydrophobicContact CE3-CD1 4.23Å; W202-Y230 AromaticContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CE1 4.07Å; W202-Y230 AromaticContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CG 4.14Å; W202-Y230 AromaticContact CE3-CZ 3.81Å; W202-Y230 HydrophobicContact CH2-CD2 4.47Å; W202-Y230 HydrophobicContact CH2-CE2 4.47Å; W202-Y230 AromaticContact CZ3-CD2 3.6Å; W202-Y230 HydrophobicContact CZ3-CD2 3.6Å; W202-Y230 AromaticContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CG 4.05Å; W202-L254 HydrophobicContact CZ3-CD1 4.32Å
203L98.6Very high98Very high8 Ų847.3 Ų47.34%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-120.6149.1-171.2-55.3176.6000111.7V175 D198 V212 S215 Y230 A232 F234 L250 I252V175-L203 HydrophobicContact CG1-CD2 4.44Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; D198-L203 PolarHBondContact OD2-N 3.02Å; L203-V212 HydrophobicContact CB-CG1 4.11Å; L203-V212 HydrophobicContact CD1-CG1 4.41Å; L203-V212 HydrophobicContact CD2-CG1 4.18Å; L203-V212 HydrophobicContact CG-CG1 4.47Å; L203-S215 PolarHBondContact N-OG 3.03Å; L203-S215 VanDerWaalsContact N-OG 3.14Å; L203-S215 PolarHBondContact O-OG 3.02Å; L203-Y230 HydrophobicContact CD1-CD1 4.39Å; L203-Y230 HydrophobicContact CD1-CE1 3.99Å; L203-Y230 HydrophobicContact CG-CE1 4.35Å; L203-A232 HydrophobicContact CD1-CB 3.62Å; L203-F234 HydrophobicContact CB-CZ 4.48Å; L203-F234 HydrophobicContact CD1-CZ 4.18Å; L203-L250 HydrophobicContact CD1-CD2 4.28Å; L203-I252 HydrophobicContact CD1-CD1 3.79Å; L203-I252 HydrophobicContact CD2-CD1 3.86Å; L203-I252 HydrophobicContact CG-CD1 4.43Å
204S98.2Very high98Very high52 Ų5246.6 Ų46.636%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-133.7148.1169.8600000109.2V212 N213S204-V212 CarbonylContact O-C 3.55Å; S204-V212 VanDerWaalsContact O-CA 3.25Å; S204-V212 WeakPolarHBondContact O-CA 3.48Å; S204-N213 PolarHBondContact N-O 2.93Å; S204-N213 PolarHBondContact O-N 2.87Å; S204-N213 PolarHBondContact OG-O 3.1Å
205V98.6Very high98Very high24 Ų2447.3 Ų47.315%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-120.8138.317866.90000111L178 V195 T211 V212 F234L178-V205 HydrophobicContact CD1-CG2 4.07Å; V195-V205 HydrophobicContact CG2-CG1 3.97Å; V205-T211 CarbonylContact C-O 3.58Å; V205-T211 WeakPolarHBondContact CA-O 3.34Å; V205-V212 HydrophobicContact CB-CG2 4.31Å; V205-V212 HydrophobicContact CG2-CG2 4.05Å; V205-F234 HydrophobicContact CB-CD1 4.04Å; V205-F234 HydrophobicContact CB-CE1 3.86Å; V205-F234 HydrophobicContact CG1-CD1 4.08Å; V205-F234 HydrophobicContact CG1-CE1 4.23Å; V205-F234 HydrophobicContact CG2-CD1 4.36Å; V205-F234 HydrophobicContact CG2-CE1 4.46Å
206N98.3Very high97.9Very high60 Ų6046 Ų4632%0.32127%0.273SS..  trans-73122.7169.1-175.8-70.3000109.5V208 R209 G210 T211N206-V208 PolarHBondContact O-N 2.89Å; N206-V208 VanDerWaalsContact O-N 3.12Å; N206-V208 PolarHBondContact OD1-N 2.75Å; N206-R209 HydrophobicContact CB-CB 4.35Å; N206-R209 PolarHBondContact OD1-N 2.83Å; N206-G210 PolarHBondContact O-N 2.88Å; N206-T211 PolarHBondContact N-O 3.18Å
207P97.8Very high97.9Very high58 Ų5845.3 Ų45.338%0.37728%0.276SS..THydrogen-bonded Turntrans-70-13.2-171.427.6-36.2000114.5R192 Y193R192-P207 VanDerWaalsContact CA-O 3.27Å; R192-P207 WeakPolarHBondContact CA-O 3.42Å; R192-P207 WeakPolarHBondContact CD-O 3.49Å; Y193-P207 PolarHBondContact N-O 2.87Å; Y193-P207 WeakPolarHBondContact O-CA 3.3Å
208V96.1Very high97.9Very high93 Ų9343.1 Ų43.156%0.56426%0.26SS*.THydrogen-bonded Turntrans-106.1-41.8179.3-179.20000111.2N206N206-V208 PolarHBondContact O-N 2.89Å; N206-V208 VanDerWaalsContact O-N 3.12Å; N206-V208 PolarHBondContact OD1-N 2.75Å
209R96Very high97.8Very high159 Ų15944.9 Ų44.960%0.627%0.27SS*.THydrogen-bonded Turntrans-95.3-8.2-172.2-53.2-169.3-36.6177.68.9114.5N206 T211N206-R209 HydrophobicContact CB-CB 4.35Å; N206-R209 PolarHBondContact OD1-N 2.83Å; R209-T211 WeakPolarHBondContact CB-OG1 3.49Å; R209-T211 PolarHBondContact NE-OG1 2.86Å; R209-T211 PolarHBondContact NH2-OG1 2.8Å; R209-T211 PolarHBondContact O-N 2.9Å
210G97Very high97.8Very high0 Ų042.7 Ų42.70%025%0.252CS..  trans64.110.5-173.800000114.6L178 N206 V212L178-G210 WeakPolarHBondContact CB-O 3.39Å; L178-G210 PolarHBondContact N-O 3.08Å; N206-G210 PolarHBondContact O-N 2.88Å; G210-V212 PolarHBondContact O-N 2.66Å
211T98.4Very high97.8Very high13 Ų1343.5 Ų43.58%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-71.3121.5179.1-47.30000110.1F174 V205 N206 R209F174-T211 HydrophobicContact CD2-CG2 3.54Å; F174-T211 HydrophobicContact CE2-CG2 3.66Å; V205-T211 CarbonylContact C-O 3.58Å; V205-T211 WeakPolarHBondContact CA-O 3.34Å; N206-T211 PolarHBondContact N-O 3.18Å; R209-T211 WeakPolarHBondContact CB-OG1 3.49Å; R209-T211 PolarHBondContact NE-OG1 2.86Å; R209-T211 PolarHBondContact NH2-OG1 2.8Å; R209-T211 PolarHBondContact O-N 2.9Å
212V98.6Very high97.7Very high0 Ų040.7 Ų40.70%023%0.229CC..EExtended strand (participates in β ladder)trans-98.1125.3176.1-176.60000109.7V175 A176 L178 L203 S204 V205 G210 F234 L250V175-V212 WeakPolarHBondContact CA-O 3.42Å; V175-V212 HydrophobicContact CB-CB 4.45Å; V175-V212 HydrophobicContact CB-CG1 4.17Å; V175-V212 WeakPolarHBondContact CB-O 3.4Å; V175-V212 HydrophobicContact CG1-CG1 4.49Å; V175-V212 PolarHBondContact N-O 3.43Å; A176-V212 PolarHBondContact N-O 3.03Å; A176-V212 PolarHBondContact O-N 3.05Å; L178-V212 HydrophobicContact CD1-CG2 3.72Å; L178-V212 HydrophobicContact CD2-CG2 4.38Å; L178-V212 HydrophobicContact CG-CG2 3.73Å; L203-V212 HydrophobicContact CB-CG1 4.11Å; L203-V212 HydrophobicContact CD1-CG1 4.41Å; L203-V212 HydrophobicContact CD2-CG1 4.18Å; L203-V212 HydrophobicContact CG-CG1 4.47Å; S204-V212 CarbonylContact O-C 3.55Å; S204-V212 VanDerWaalsContact O-CA 3.25Å; S204-V212 WeakPolarHBondContact O-CA 3.48Å; V205-V212 HydrophobicContact CB-CG2 4.31Å; V205-V212 HydrophobicContact CG2-CG2 4.05Å; G210-V212 PolarHBondContact O-N 2.66Å; V212-F234 HydrophobicContact CG1-CE1 4.39Å; V212-F234 HydrophobicContact CG1-CZ 3.91Å; V212-F234 HydrophobicContact CG2-CE1 3.91Å; V212-F234 HydrophobicContact CG2-CE2 4.46Å; V212-F234 HydrophobicContact CG2-CZ 3.85Å; V212-L250 HydrophobicContact CG1-CD2 4.16Å
213N98.6Very high97.7Very high51 Ų5144.5 Ų44.527%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-123.7158176.9-69.5-4.9000111S173 F174 S204S173-N213 CarbonylContact O-C 3.53Å; S173-N213 WeakPolarHBondContact O-CA 3.35Å; S173-N213 WeakPolarHBondContact O-CB 3.22Å; F174-N213 WeakPolarHBondContact CA-OD1 3.27Å; S204-N213 PolarHBondContact N-O 2.93Å; S204-N213 PolarHBondContact O-N 2.87Å; S204-N213 PolarHBondContact OG-O 3.1Å
214T98.4Very high97.6Very high4 Ų449.9 Ų49.93%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-69.9128.6172.755.80000111.2V169 P170 V171 G172 S173 V175 W202 L218V169-T214 HydrophobicContact CG2-CG2 4.11Å; P170-T214 PolarHBondContact O-OG1 2.94Å; V171-T214 WeakPolarHBondContact CA-OG1 3.39Å; G172-T214 VanDerWaalsContact CA-O 3.28Å; G172-T214 WeakPolarHBondContact CA-O 3.2Å; G172-T214 PolarHBondContact N-O 2.71Å; G172-T214 PolarHBondContact N-OG1 2.98Å; S173-T214 PolarHBondContact N-OG1 3.3Å; S173-T214 PolarHBondContact O-N 3.4Å; V175-T214 HydrophobicContact CG2-CG2 3.51Å; W202-T214 CarbonylContact O-C 3.55Å; W202-T214 WeakPolarHBondContact O-CA 3.36Å; T214-L218 HydrophobicContact CG2-CD1 3.95Å; T214-L218 HydrophobicContact CG2-CD2 4.15Å; T214-L218 HydrophobicContact CG2-CG 4Å
215S97.9Very high97.6Very high57 Ų5748.1 Ų48.140%0.39926%0.264SS..SBendtrans-100.1-18.7170.251.50000112.8V171 A201 W202 L203V171-S215 WeakPolarHBondContact CG1-O 3.25Å; A201-S215 PolarHBondContact O-OG 3.15Å; A201-S215 VanDerWaalsContact O-OG 3.05Å; W202-S215 PolarHBondContact O-N 2.99Å; W202-S215 PolarHBondContact O-OG 3.12Å; W202-S215 VanDerWaalsContact O-OG 3.13Å; L203-S215 PolarHBondContact N-OG 3.03Å; L203-S215 VanDerWaalsContact N-OG 3.14Å; L203-S215 PolarHBondContact O-OG 3.02Å
216A97.9Very high97.5Very high33 Ų3353.4 Ų53.427%0.27329%0.287SS..SBendtrans-141.8172172.900000110.4W202W202-A216 PolarHBondContact O-N 3.4Å
217S97.2Very high97.3Very high81 Ų8155 Ų5557%0.56631%0.309SS*.  trans-64.8135.7175.7-56.40000110.5
218L97.9Very high97.2Very high7 Ų755.2 Ų55.24%0.03731%0.306CS..  trans-79.2146.4170.5-53.8178.4000108.3R165 E167 V169 W202 T214 L254R165-L218 HydrophobicContact CB-CD1 4.46Å; E167-L218 HydrophobicContact CB-CB 4.38Å; V169-L218 HydrophobicContact CG2-CD1 3.65Å; V169-L218 HydrophobicContact CG2-CG 4.23Å; W202-L218 HydrophobicContact CB-CD2 3.85Å; W202-L218 HydrophobicContact CD2-CD2 4.16Å; W202-L218 HydrophobicContact CE3-CD2 3.77Å; W202-L218 HydrophobicContact CG-CD2 4.27Å; T214-L218 HydrophobicContact CG2-CD1 3.95Å; T214-L218 HydrophobicContact CG2-CD2 4.15Å; T214-L218 HydrophobicContact CG2-CG 4Å; L218-L254 HydrophobicContact CB-CD2 3.99Å; L218-L254 HydrophobicContact CD1-CD2 3.8Å; L218-L254 HydrophobicContact CG-CD2 4.42Å
219D97.6Very high97.3Very high60 Ų6055.1 Ų55.132%0.32130%0.298SS..  trans-144.1113.7-177.3168.22000107.8W202 E221 S222 V225W202-D219 HydrophobicContact CH2-CB 4.08Å; W202-D219 WeakPolarHBondContact CH2-O 3.43Å; W202-D219 HydrophobicContact CZ2-CB 4.04Å; D219-E221 WeakPolarHBondContact OD1-CA 3.49Å; D219-E221 PolarHBondContact OD1-N 2.84Å; D219-S222 WeakPolarHBondContact O-CB 3.42Å; D219-S222 PolarHBondContact OD1-N 3.1Å; D219-V225 VanDerWaalsContact O-CG2 3.28Å; D219-V225 WeakPolarHBondContact O-CG2 3.32Å
220R97.3Very high97.4Very high24 Ų2447.6 Ų47.69%0.09127%0.27CS..SBendtrans-74-29.9-176.9-169.5-162.871744.5111.4E167 S222 V225 N228 L254 D256 K288E167-R220 VanDerWaalsContact OE2-CB 3.24Å; E167-R220 WeakPolarHBondContact OE2-CB 3.22Å; E167-R220 PolarHBondContact OE2-N 2.75Å; R220-S222 VanDerWaalsContact C-N 3.27Å; R220-V225 WeakPolarHBondContact O-CB 3.19Å; R220-V225 WeakPolarHBondContact O-CG1 3.32Å; R220-N228 PolarHBondContact NH1-OD1 2.87Å; R220-L254 HydrophobicContact CB-CB 4.09Å; R220-L254 HydrophobicContact CG-CB 3.9Å; R220-D256 IonicContact CZ-OD1 2.7Å; R220-D256 VanDerWaalsContact CZ-OD1 3.27Å; R220-D256 IonicContact NE-OD1 3.27Å; R220-D256 PolarHBondContact NE-OD1 3.43Å; R220-D256 IonicContact NH2-OD1 2.89Å; R220-D256 PolarHBondContact NH2-OD1 3.04Å; R220-K288 PolarHBondContact NH2-O 2.84Å
221E96.5Very high97.5Very high39 Ų3950.7 Ų50.718%0.18229%0.289CS..SBendtrans-82.1-6.9-180-65.865.2-13600112.9D219 K288D219-E221 WeakPolarHBondContact OD1-CA 3.49Å; D219-E221 PolarHBondContact OD1-N 2.84Å; E221-K288 HydrophobicContact CB-CB 4.46Å; E221-K288 HydrophobicContact CB-CD 4.33Å; E221-K288 HydrophobicContact CG-CB 3.66Å; E221-K288 HydrophobicContact CG-CD 4.35Å
222S96.9Very high97.5Very high8 Ų850.1 Ų50.16%0.05629%0.285CS..SBendtrans-56.7144.8174.9174.90000113.3W202 D219 R220 Y224 V225W202-S222 VanDerWaalsContact CH2-CB 3.49Å; W202-S222 WeakPolarHBondContact CH2-OG 3.33Å; D219-S222 WeakPolarHBondContact O-CB 3.42Å; D219-S222 PolarHBondContact OD1-N 3.1Å; R220-S222 VanDerWaalsContact C-N 3.27Å; S222-Y224 PolarHBondContact O-N 2.96Å; S222-Y224 VanDerWaalsContact O-N 3.1Å; S222-Y224 WeakPolarHBondContact OG-CD2 3.27Å; S222-Y224 PolarHBondContact OG-N 2.91Å; S222-V225 PolarHBondContact O-N 3.48Å
223P97Very high97.5Very high104 Ų10452.8 Ų52.868%0.67530%0.3SS*.THydrogen-bonded Turntrans-64-15.7176.228.5-37000114V225 H226P223-V225 VanDerWaalsContact C-N 3.29Å; P223-H226 PolarHBondContact O-CE1 2.79Å
224Y97.4Very high97.5Very high121 Ų12150.4 Ų50.448%0.47529%0.287SS..THydrogen-bonded Turntrans-82.5-7.4177-56.7-70000113.2P199 A200 S222P199-Y224 HydrophobicContact CB-CD1 3.75Å; P199-Y224 HydrophobicContact CB-CE1 4.24Å; P199-Y224 HydrophobicContact CB-CG 4.4Å; A200-Y224 HydrophobicContact CB-CD2 3.54Å; A200-Y224 HydrophobicContact CB-CE2 4.07Å; A200-Y224 HydrophobicContact CB-CG 3.93Å; S222-Y224 PolarHBondContact O-N 2.96Å; S222-Y224 VanDerWaalsContact O-N 3.1Å; S222-Y224 WeakPolarHBondContact OG-CD2 3.27Å; S222-Y224 PolarHBondContact OG-N 2.91Å
225V97.5Very high97.5Very high14 Ų1451.3 Ų51.39%0.08529%0.292CS..  trans-101128.9178-179.60000109.1W202 D219 R220 S222 P223 Y230 L254W202-V225 HydrophobicContact CH2-CG2 4.02Å; W202-V225 HydrophobicContact CZ3-CG2 3.96Å; D219-V225 VanDerWaalsContact O-CG2 3.28Å; D219-V225 WeakPolarHBondContact O-CG2 3.32Å; R220-V225 WeakPolarHBondContact O-CB 3.19Å; R220-V225 WeakPolarHBondContact O-CG1 3.32Å; S222-V225 PolarHBondContact O-N 3.48Å; P223-V225 VanDerWaalsContact C-N 3.29Å; V225-Y230 HydrophobicContact CG2-CD2 4.15Å; V225-L254 HydrophobicContact CG1-CD1 4.36Å; V225-L254 HydrophobicContact CG2-CD1 3.7Å
226H96.6Very high97.5Very high136 Ų13648.6 Ų48.663%0.6327%0.273SS*.BIsolated β-bridgetrans-125.4121.3-179.1-61.5-40.1000109.9P223 N228 K229P223-H226 PolarHBondContact O-CE1 2.79Å; H226-N228 VanDerWaalsContact C-N 3.28Å; H226-N228 PolarHBondContact O-N 3.28Å; H226-K229 PolarHBondContact N-O 2.85Å; H226-K229 WeakPolarHBondContact O-CB 3.22Å; H226-K229 PolarHBondContact O-N 2.77Å
227A94.7Very high97.5Very high94 Ų9449.2 Ų49.278%0.77727%0.274SS*.THydrogen-bonded Turntrans50.846.6-177.200000112.9K229A227-K229 PolarHBondContact O-N 3.25Å
228N95.6Very high97.4Very high61 Ų6145.7 Ų45.733%0.32625%0.249SC..THydrogen-bonded Turntrans6220.1-177.3-53.2-15.2000114.5R220 H226 H253 L254R220-N228 PolarHBondContact NH1-OD1 2.87Å; H226-N228 VanDerWaalsContact C-N 3.28Å; H226-N228 PolarHBondContact O-N 3.28Å; N228-H253 WeakPolarHBondContact O-CA 3.5Å; N228-L254 PolarHBondContact O-N 3.09Å
229K98.1Very high97.2Very high91 Ų9149.7 Ų49.740%0.39627%0.27SS..EExtended strand (participates in β ladder)trans-117.5129.5178.3-65.1174.2176.3-178.90110.8H226 A227 I251 I252 H253H226-K229 PolarHBondContact N-O 2.85Å; H226-K229 WeakPolarHBondContact O-CB 3.22Å; H226-K229 PolarHBondContact O-N 2.77Å; A227-K229 PolarHBondContact O-N 3.25Å; K229-I251 HydrophobicContact CB-CG2 3.99Å; K229-I251 HydrophobicContact CD-CG2 4.05Å; K229-I251 HydrophobicContact CG-CG2 3.98Å; K229-I252 WeakPolarHBondContact CA-O 3.41Å; K229-H253 WeakPolarHBondContact CE-CE1 3.25Å
230Y98.4Very high96.8Very high2 Ų247 Ų471%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-107.9127.5166.2-174.1-104.7000108.9D198 A200 W202 L203 V225 A232 I251 I252D198-Y230 VanDerWaalsContact OD1-CE1 3.24Å; D198-Y230 WeakPolarHBondContact OD1-CE1 3.38Å; D198-Y230 VanDerWaalsContact OD1-CZ 3.24Å; D198-Y230 PolarHBondContact OD1-OH 2.83Å; A200-Y230 HydrophobicContact CB-CE2 3.89Å; A200-Y230 WeakPolarHBondContact CB-OH 3.06Å; A200-Y230 PolarHBondContact N-OH 2.79Å; W202-Y230 HydrophobicContact CD2-CE2 4.45Å; W202-Y230 HydrophobicContact CE3-CD1 4.23Å; W202-Y230 AromaticContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CE1 4.07Å; W202-Y230 AromaticContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CG 4.14Å; W202-Y230 AromaticContact CE3-CZ 3.81Å; W202-Y230 HydrophobicContact CH2-CD2 4.47Å; W202-Y230 HydrophobicContact CH2-CE2 4.47Å; W202-Y230 AromaticContact CZ3-CD2 3.6Å; W202-Y230 HydrophobicContact CZ3-CD2 3.6Å; W202-Y230 AromaticContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CG 4.05Å; L203-Y230 HydrophobicContact CD1-CD1 4.39Å; L203-Y230 HydrophobicContact CD1-CE1 3.99Å; L203-Y230 HydrophobicContact CG-CE1 4.35Å; V225-Y230 HydrophobicContact CG2-CD2 4.15Å; Y230-A232 HydrophobicContact CE1-CB 4.43Å; Y230-I251 WeakPolarHBondContact O-CA 3.31Å; Y230-I252 HydrophobicContact CD1-CD1 4.19Å; Y230-I252 PolarHBondContact N-O 3.48Å; Y230-I252 PolarHBondContact O-N 3.22Å
231T98.5Very high96.4Very high64 Ų6452.3 Ų52.339%0.39329%0.292SS..EExtended strand (participates in β ladder)trans-116127-176.2-58.70000110.5T249 L250 I251T231-T249 HydrophobicContact CG2-CG2 3.81Å; T231-L250 WeakPolarHBondContact CA-O 3.46Å; T231-I251 HydrophobicContact CG2-CG1 4.32Å
232A98.5Very high96.1Very high1 Ų155.4 Ų55.41%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-126.9147.5174.600000110.3S197 L203 Y230 F234 L250S197-A232 CarbonylContact O-C 3.5Å; S197-A232 WeakPolarHBondContact O-CA 3.4Å; L203-A232 HydrophobicContact CD1-CB 3.62Å; Y230-A232 HydrophobicContact CE1-CB 4.43Å; A232-F234 HydrophobicContact CB-CE2 3.85Å; A232-F234 HydrophobicContact CB-CZ 4.29Å; A232-L250 PolarHBondContact N-O 3.36Å; A232-L250 PolarHBondContact O-N 2.81Å
233L98.7Very high96Very high57 Ų5759.1 Ų59.130%0.29834%0.339SS..EExtended strand (participates in β ladder)trans-110.7138.1177.9-57.2178000109.8L196 S197 G248 T249L196-L233 WeakPolarHBondContact CA-O 3.49Å; L196-L233 HydrophobicContact CB-CB 4.19Å; L196-L233 WeakPolarHBondContact CB-O 3.49Å; L196-L233 HydrophobicContact CD2-CB 4.33Å; L196-L233 PolarHBondContact N-O 3.26Å; S197-L233 PolarHBondContact N-O 3.06Å; S197-L233 PolarHBondContact O-N 2.98Å; L233-G248 WeakPolarHBondContact CA-O 3.19Å; L233-T249 HydrophobicContact CD2-CG2 3.99Å; L233-T249 WeakPolarHBondContact CD2-OG1 3.48Å
234F98.7Very high95.9Very high0 Ų055.3 Ų55.30%032%0.316CS..EExtended strand (participates in β ladder)trans-123.3149.8177.7-63.8-92.5000109.3F156 L178 A194 V195 L203 V205 V212 A232 T247 G248 L250F156-F234 HydrophobicContact CE1-CB 4.5Å; F156-F234 HydrophobicContact CZ-CB 4.37Å; L178-F234 HydrophobicContact CD1-CB 3.63Å; L178-F234 HydrophobicContact CD1-CD1 3.59Å; L178-F234 HydrophobicContact CD1-CD2 3.8Å; L178-F234 HydrophobicContact CD1-CE1 4.17Å; L178-F234 HydrophobicContact CD1-CE2 4.38Å; L178-F234 HydrophobicContact CD1-CG 3.37Å; L178-F234 HydrophobicContact CD2-CD2 4.3Å; A194-F234 WeakPolarHBondContact O-CA 3.31Å; V195-F234 HydrophobicContact CG2-CD1 4.25Å; V195-F234 HydrophobicContact CG2-CE1 3.87Å; L203-F234 HydrophobicContact CB-CZ 4.48Å; L203-F234 HydrophobicContact CD1-CZ 4.18Å; V205-F234 HydrophobicContact CB-CD1 4.04Å; V205-F234 HydrophobicContact CB-CE1 3.86Å; V205-F234 HydrophobicContact CG1-CD1 4.08Å; V205-F234 HydrophobicContact CG1-CE1 4.23Å; V205-F234 HydrophobicContact CG2-CD1 4.36Å; V205-F234 HydrophobicContact CG2-CE1 4.46Å; V212-F234 HydrophobicContact CG1-CE1 4.39Å; V212-F234 HydrophobicContact CG1-CZ 3.91Å; V212-F234 HydrophobicContact CG2-CE1 3.91Å; V212-F234 HydrophobicContact CG2-CE2 4.46Å; V212-F234 HydrophobicContact CG2-CZ 3.85Å; A232-F234 HydrophobicContact CB-CE2 3.85Å; A232-F234 HydrophobicContact CB-CZ 4.29Å; F234-T247 CarbonylContact O-C 3.56Å; F234-T247 WeakPolarHBondContact O-CA 3.31Å; F234-G248 PolarHBondContact N-O 3.05Å; F234-G248 PolarHBondContact O-N 3.49Å; F234-L250 HydrophobicContact CD2-CB 4.11Å; F234-L250 HydrophobicContact CE2-CB 3.68Å; F234-L250 HydrophobicContact CE2-CD2 3.8Å; F234-L250 HydrophobicContact CE2-CG 4.4Å; F234-L250 HydrophobicContact CZ-CD2 4.22Å
235V98.4Very high95.8Very high24 Ų2453.5 Ų53.515%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-114138.4173.763.10000108.9Y193 A194 L196 T245 G246Y193-V235 CarbonylContact C-O 3.6Å; Y193-V235 WeakPolarHBondContact CA-O 3.28Å; A194-V235 HydrophobicContact CB-CG1 3.81Å; A194-V235 PolarHBondContact N-O 3.25Å; A194-V235 PolarHBondContact O-N 2.85Å; L196-V235 HydrophobicContact CB-CB 4.3Å; L196-V235 HydrophobicContact CB-CG1 4.43Å; V235-T245 HydrophobicContact CG2-CG2 4.24Å; V235-G246 CarbonylContact C-O 3.53Å; V235-G246 VanDerWaalsContact CA-O 3.32Å; V235-G246 WeakPolarHBondContact CA-O 3.36Å; V235-G246 WeakPolarHBondContact CG2-O 3.24Å
236A98.2Very high95.8Very high0 Ų053.4 Ų53.40%032%0.32CS..EExtended strand (participates in β ladder)trans-110.8129.3167.300000107.4P154 F156 A180 I191 R192 Y193 T245 G246P154-A236 HydrophobicContact CB-CB 3.82Å; P154-A236 HydrophobicContact CG-CB 4.25Å; F156-A236 HydrophobicContact CD2-CB 4.46Å; F156-A236 HydrophobicContact CE1-CB 4.47Å; F156-A236 HydrophobicContact CE2-CB 3.46Å; F156-A236 VanDerWaalsContact CE2-CB 3.46Å; F156-A236 HydrophobicContact CZ-CB 3.48Å; F156-A236 VanDerWaalsContact CZ-CB 3.48Å; A180-A236 HydrophobicContact CB-CB 3.88Å; I191-A236 HydrophobicContact CG2-CB 3.69Å; R192-A236 CarbonylContact O-C 3.57Å; R192-A236 WeakPolarHBondContact O-CA 3.43Å; Y193-A236 HydrophobicContact CD1-CB 4.31Å; Y193-A236 HydrophobicContact CE1-CB 4.31Å; A236-T245 CarbonylContact O-C 3.56Å; A236-T245 VanDerWaalsContact O-CA 3.22Å; A236-T245 WeakPolarHBondContact O-CA 3.11Å; A236-G246 PolarHBondContact N-O 3.36Å; A236-G246 PolarHBondContact O-N 3.09Å
237T97.4Very high95.9Very high45 Ų4550.4 Ų50.428%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-121.2128.6179.9-52.60000108.1R192 P243 A244 T245R192-T237 PolarHBondContact N-O 3.27Å; R192-T237 PolarHBondContact O-N 3.27Å; T237-P243 HydrophobicContact CG2-CB 4.22Å; T237-A244 WeakPolarHBondContact CA-O 3.34Å; T237-T245 HydrophobicContact CG2-CG2 3.93Å
238D95.9Very high96.1Very high8 Ų846 Ų464%0.04328%0.275CS..  trans-77.4-174.9172.565.744.7000111.3N151 P154 D182 Q189 G240 P243 A244N151-D238 PolarHBondContact ND2-OD2 2.76Å; N151-D238 VanDerWaalsContact ND2-OD2 3.1Å; P154-D238 HydrophobicContact CG-CB 3.95Å; D182-D238 WeakPolarHBondContact OD2-CB 3.47Å; Q189-D238 HydrophobicContact CB-CB 4.25Å; D238-G240 PolarHBondContact OD1-N 2.89Å; D238-P243 VanDerWaalsContact OD1-CA 3.25Å; D238-P243 WeakPolarHBondContact OD1-CA 3.45Å; D238-A244 VanDerWaalsContact CG-N 3.35Å; D238-A244 PolarHBondContact N-O 2.84Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD2-C 3.23Å; D238-A244 WeakPolarHBondContact OD2-CA 3.32Å; D238-A244 WeakPolarHBondContact OD2-CB 3.32Å; D238-A244 PolarHBondContact OD2-N 3.49Å; D238-A244 VanDerWaalsContact OD2-O 3.07Å
239N93.6Very high96.2Very high90 Ų9044.9 Ų44.948%0.48127%0.27SS..  trans-117.325.4173.474.5-60.5000112.7Q189 S190Q189-N239 VanDerWaalsContact CA-OD1 3.26Å; Q189-N239 WeakPolarHBondContact CA-OD1 3.41Å; Q189-N239 WeakPolarHBondContact CB-OD1 3.22Å; S190-N239 PolarHBondContact N-OD1 3.42Å; S190-N239 PolarHBondContact OG-OD1 2.54Å
240G89.6Confident96.3Very high3 Ų340.5 Ų40.53%0.03125%0.251CS..  trans-64.2174.3174.100000113.7N151 D238 P242 P243N151-G240 VanDerWaalsContact OD1-CA 3.22Å; N151-G240 WeakPolarHBondContact OD1-CA 3.4Å; D238-G240 PolarHBondContact OD1-N 2.89Å; G240-P242 VanDerWaalsContact C-C 3.47Å; G240-P242 CarbonylContact C-O 3.57Å; G240-P242 CarbonylContact O-C 3.52Å; G240-P243 WeakPolarHBondContact O-CA 3.34Å; G240-P243 WeakPolarHBondContact O-CD 3.49Å; G240-P243 WeakPolarHBondContact O-CG 3.4Å; G240-P243 VanDerWaalsContact O-N 3.11Å
241T88.2Confident96.3Very high137 Ų13741.7 Ų41.784%0.8426%0.257SS*.SBendtrans-130.6103.1177.5-560000110.9
242P91Very high96.3Very high103 Ų10338.7 Ų38.767%0.66924%0.239SC*.SBendcis-69.7154.7-2.131.4-35.6000112.2G240G240-P242 VanDerWaalsContact C-C 3.47Å; G240-P242 CarbonylContact C-O 3.57Å; G240-P242 CarbonylContact O-C 3.52Å
243P93.6Very high96.3Very high86 Ų8641.4 Ų41.456%0.55825%0.251SS*.  trans-65.8136.2175.2-18.229.7000111.1T237 D238 G240T237-P243 HydrophobicContact CG2-CB 4.22Å; D238-P243 VanDerWaalsContact OD1-CA 3.25Å; D238-P243 WeakPolarHBondContact OD1-CA 3.45Å; G240-P243 WeakPolarHBondContact O-CA 3.34Å; G240-P243 WeakPolarHBondContact O-CD 3.49Å; G240-P243 WeakPolarHBondContact O-CG 3.4Å; G240-P243 VanDerWaalsContact O-N 3.11Å
244A94.9Very high96.2Very high24 Ų2439 Ų3920%0.19824%0.238CC..  trans-105.9167.1170.600000111.5N151 T237 D238N151-A244 VanDerWaalsContact ND2-CB 3.27Å; N151-A244 WeakPolarHBondContact ND2-CB 3.17Å; T237-A244 WeakPolarHBondContact CA-O 3.34Å; D238-A244 VanDerWaalsContact CG-N 3.35Å; D238-A244 PolarHBondContact N-O 2.84Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD2-C 3.23Å; D238-A244 WeakPolarHBondContact OD2-CA 3.32Å; D238-A244 WeakPolarHBondContact OD2-CB 3.32Å; D238-A244 PolarHBondContact OD2-N 3.49Å; D238-A244 VanDerWaalsContact OD2-O 3.07Å
245T96.9Very high96.1Very high84 Ų8443.7 Ų43.752%0.51526%0.261SS..EExtended strand (participates in β ladder)trans-140.2138.7-172.663.40000111.4V235 A236 T237V235-T245 HydrophobicContact CG2-CG2 4.24Å; A236-T245 CarbonylContact O-C 3.56Å; A236-T245 VanDerWaalsContact O-CA 3.22Å; A236-T245 WeakPolarHBondContact O-CA 3.11Å; T237-T245 HydrophobicContact CG2-CG2 3.93Å
246G97.1Very high96Very high12 Ų1243.8 Ų43.812%0.12426%0.26CS..EExtended strand (participates in β ladder)trans-109.8153.4163.300000112.1P154 F156 V235 A236P154-G246 VanDerWaalsContact O-CA 3.24Å; P154-G246 WeakPolarHBondContact O-CA 3.37Å; F156-G246 WeakPolarHBondContact CE2-O 3.17Å; V235-G246 CarbonylContact C-O 3.53Å; V235-G246 VanDerWaalsContact CA-O 3.32Å; V235-G246 WeakPolarHBondContact CA-O 3.36Å; V235-G246 WeakPolarHBondContact CG2-O 3.24Å; A236-G246 PolarHBondContact N-O 3.36Å; A236-G246 PolarHBondContact O-N 3.09Å
247T98.4Very high95.9Very high73 Ų7347.3 Ų47.345%0.44827%0.274SS..EExtended strand (participates in β ladder)trans-114.3133.1173.6-600000109.2L196 F234L196-T247 HydrophobicContact CD2-CG2 3.74Å; F234-T247 CarbonylContact O-C 3.56Å; F234-T247 WeakPolarHBondContact O-CA 3.31Å
248G98.1Very high95.9Very high1 Ų145.3 Ų45.31%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-122.6147.7176.900000111.6L233 F234L233-G248 WeakPolarHBondContact CA-O 3.19Å; F234-G248 PolarHBondContact N-O 3.05Å; F234-G248 PolarHBondContact O-N 3.49Å
249T98.7Very high95.8Very high37 Ų3748.7 Ų48.723%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-108.7126-177.9-55.10000110.7D159 P160 L161 T231 L233 I251D159-T249 WeakPolarHBondContact OD1-CB 3.49Å; D159-T249 PolarHBondContact OD1-N 2.81Å; P160-T249 CarbonylContact C-O 3.55Å; P160-T249 WeakPolarHBondContact CA-O 3.49Å; P160-T249 HydrophobicContact CB-CG2 4.08Å; L161-T249 PolarHBondContact N-O 3.36Å; T231-T249 HydrophobicContact CG2-CG2 3.81Å; L233-T249 HydrophobicContact CD2-CG2 3.99Å; L233-T249 WeakPolarHBondContact CD2-OG1 3.48Å; T249-I251 HydrophobicContact CG2-CG1 4.08Å
250L98.7Very high95.9Very high0 Ų046 Ų460%027%0.266CS..EExtended strand (participates in β ladder)trans-106.1124.8169.5179.563.1000109.3L161 V163 V175 A176 L203 V212 T231 A232 F234 I252L161-L250 HydrophobicContact CB-CD1 4.1Å; L161-L250 HydrophobicContact CD2-CD1 3.98Å; L161-L250 HydrophobicContact CG-CD1 3.91Å; V163-L250 HydrophobicContact CG1-CD1 4.42Å; V163-L250 HydrophobicContact CG2-CD1 3.96Å; V175-L250 HydrophobicContact CG1-CD2 4.32Å; A176-L250 HydrophobicContact CB-CD1 3.89Å; A176-L250 HydrophobicContact CB-CD2 4.28Å; L203-L250 HydrophobicContact CD1-CD2 4.28Å; V212-L250 HydrophobicContact CG1-CD2 4.16Å; T231-L250 WeakPolarHBondContact CA-O 3.46Å; A232-L250 PolarHBondContact N-O 3.36Å; A232-L250 PolarHBondContact O-N 2.81Å; F234-L250 HydrophobicContact CD2-CB 4.11Å; F234-L250 HydrophobicContact CE2-CB 3.68Å; F234-L250 HydrophobicContact CE2-CD2 3.8Å; F234-L250 HydrophobicContact CE2-CG 4.4Å; F234-L250 HydrophobicContact CZ-CD2 4.22Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 3.98Å
251I98.7Very high96.2Very high27 Ų2747.8 Ų47.814%0.13828%0.28CS..EExtended strand (participates in β ladder)trans-113.5116172-55.5177000108.3P160 L161 L162 V163 K229 Y230 T231 T249P160-I251 HydrophobicContact CB-CD1 3.92Å; P160-I251 HydrophobicContact CB-CG1 4.21Å; P160-I251 HydrophobicContact CG-CD1 4.16Å; L161-I251 PolarHBondContact O-N 2.87Å; L162-I251 WeakPolarHBondContact CA-O 3.33Å; L162-I251 HydrophobicContact CD2-CB 3.62Å; L162-I251 HydrophobicContact CD2-CD1 3.86Å; L162-I251 HydrophobicContact CD2-CG1 4.11Å; L162-I251 HydrophobicContact CD2-CG2 4.17Å; V163-I251 PolarHBondContact N-O 2.87Å; K229-I251 HydrophobicContact CB-CG2 3.99Å; K229-I251 HydrophobicContact CD-CG2 4.05Å; K229-I251 HydrophobicContact CG-CG2 3.98Å; Y230-I251 WeakPolarHBondContact O-CA 3.31Å; T231-I251 HydrophobicContact CG2-CG1 4.32Å; T249-I251 HydrophobicContact CG2-CG1 4.08Å
252I98.6Very high96.6Very high1 Ų141.3 Ų41.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-98.5116.1177.2-50.2175.7000108V163 R165 V175 L203 K229 Y230 L250 L254V163-I252 HydrophobicContact CG2-CB 4.29Å; V163-I252 HydrophobicContact CG2-CG1 3.93Å; V163-I252 HydrophobicContact CG2-CG2 4.24Å; V163-I252 CarbonylContact O-C 3.58Å; V163-I252 WeakPolarHBondContact O-CA 3.05Å; R165-I252 HydrophobicContact CB-CG2 4.18Å; R165-I252 HydrophobicContact CG-CG2 4.26Å; V175-I252 HydrophobicContact CG1-CD1 3.59Å; V175-I252 HydrophobicContact CG1-CG1 4.13Å; L203-I252 HydrophobicContact CD1-CD1 3.79Å; L203-I252 HydrophobicContact CD2-CD1 3.86Å; L203-I252 HydrophobicContact CG-CD1 4.43Å; K229-I252 WeakPolarHBondContact CA-O 3.41Å; Y230-I252 HydrophobicContact CD1-CD1 4.19Å; Y230-I252 PolarHBondContact N-O 3.48Å; Y230-I252 PolarHBondContact O-N 3.22Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 3.98Å; I252-L254 HydrophobicContact CG2-CD2 3.88Å; I252-L254 HydrophobicContact CG2-CG 4.32Å
253H98.4Very high96.8Very high58 Ų5840.4 Ų40.427%0.26923%0.226SC..EExtended strand (participates in β ladder)trans-78.3114.3165-74.1-88000109.1V163 T164 R165 N228 K229V163-H253 PolarHBondContact O-N 2.93Å; T164-H253 CarbonylContact C-O 3.57Å; T164-H253 VanDerWaalsContact CA-O 3.27Å; T164-H253 WeakPolarHBondContact CA-O 3.41Å; T164-H253 HydrophobicContact CG2-CB 4.22Å; R165-H253 PolarHBondContact N-O 2.91Å; N228-H253 WeakPolarHBondContact O-CA 3.5Å; K229-H253 WeakPolarHBondContact CE-CE1 3.25Å
254L97.8Very high96.9Very high5 Ų536.7 Ų36.73%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-90.4122.9178.2-68.6173.5000110R165 W202 L218 R220 V225 N228 I252R165-L254 WeakPolarHBondContact O-CA 3.41Å; W202-L254 HydrophobicContact CZ3-CD1 4.32Å; L218-L254 HydrophobicContact CB-CD2 3.99Å; L218-L254 HydrophobicContact CD1-CD2 3.8Å; L218-L254 HydrophobicContact CG-CD2 4.42Å; R220-L254 HydrophobicContact CB-CB 4.09Å; R220-L254 HydrophobicContact CG-CB 3.9Å; V225-L254 HydrophobicContact CG1-CD1 4.36Å; V225-L254 HydrophobicContact CG2-CD1 3.7Å; N228-L254 PolarHBondContact O-N 3.09Å; I252-L254 HydrophobicContact CG2-CD2 3.88Å; I252-L254 HydrophobicContact CG2-CG 4.32Å
255E96.8Very high96.9Very high100 Ų10037.8 Ų37.847%0.46721%0.206SC..EExtended strand (participates in β ladder)trans-86.8139.6170.9-72-179164.700110.1T164 R165 M166 E167T164-E255 HydrophobicContact CG2-CG 3.52Å; T164-E255 VanDerWaalsContact CG2-OE1 3.31Å; T164-E255 WeakPolarHBondContact CG2-OE1 3.41Å; R165-E255 PolarHBondContact O-N 3.36Å; M166-E255 HydrophobicContact CG-CB 4.25Å; M166-E255 HydrophobicContact SD-CB 3.31Å; M166-E255 WeakPolarHBondContact SD-CB 3.24Å; M166-E255 HydrophobicContact SD-CG 4.43Å; E167-E255 PolarHBondContact N-O 3.37Å
256D95.5Very high96.7Very high26 Ų2637 Ų3714%0.13920%0.202CC..PPolyproline II helixtrans-72.9131.4-174.4-173.489.1000111.4E167 R220 L290 N293E167-D256 WeakPolarHBondContact OE1-CA 3.39Å; R220-D256 IonicContact CZ-OD1 2.7Å; R220-D256 VanDerWaalsContact CZ-OD1 3.27Å; R220-D256 IonicContact NE-OD1 3.27Å; R220-D256 PolarHBondContact NE-OD1 3.43Å; R220-D256 IonicContact NH2-OD1 2.89Å; R220-D256 PolarHBondContact NH2-OD1 3.04Å; D256-L290 HydrophobicContact CB-CB 4.39Å; D256-L290 PolarHBondContact OD1-N 2.89Å; D256-L290 PolarHBondContact OD2-N 3.1Å; D256-L290 VanDerWaalsContact OD2-N 3.15Å; D256-N293 PolarHBondContact O-ND2 2.77Å; D256-N293 PolarHBondContact OD2-ND2 3.2Å
257Y96Very high96.5Very high73 Ų7340 Ų4029%0.28622%0.221SC..  trans-121.7144.2172.9-174.7-105.6000109.6E167 N168 D259E167-Y257 PolarHBondContact OE1-N 3.43Å; N168-Y257 HydrophobicContact CB-CD1 3.51Å; N168-Y257 HydrophobicContact CB-CD2 4.16Å; N168-Y257 HydrophobicContact CB-CE1 3.94Å; N168-Y257 HydrophobicContact CB-CG 3.63Å; N168-Y257 VanDerWaalsContact ND2-CD2 3.27Å; N168-Y257 WeakPolarHBondContact ND2-CD2 3.34Å; N168-Y257 WeakPolarHBondContact ND2-CE2 3.47Å; Y257-D259 HydrophobicContact CD1-CB 4.17Å; Y257-D259 PolarHBondContact O-N 2.97Å
258N96.7Very high96.1Very high4 Ų439.4 Ų39.42%0.02122%0.217CC..SBendtrans-73.287.7-179-163.651.8000111.1D289 N293 D342 G344 P346 L348N258-D289 WeakPolarHBondContact CA-OD2 3.19Å; N258-D289 PolarHBondContact OD1-OD2 2.99Å; N258-D289 VanDerWaalsContact OD1-OD2 3.12Å; N258-N293 HydrophobicContact CB-CB 3.83Å; N258-N293 WeakPolarHBondContact OD1-CB 3.42Å; N258-N293 PolarHBondContact OD1-O 3.48Å; N258-D342 PolarHBondContact ND2-OD1 3.13Å; N258-D342 PolarHBondContact ND2-OD2 2.91Å; N258-D342 VanDerWaalsContact ND2-OD2 3.08Å; N258-D342 PolarHBondContact OD1-OD2 2.93Å; N258-G344 WeakPolarHBondContact ND2-CA 3.43Å; N258-P346 PolarHBondContact ND2-O 2.74Å; N258-L348 PolarHBondContact ND2-N 3.25Å; N258-L348 WeakPolarHBondContact O-CD1 3.17Å
259D95.4Very high95.7Very high78 Ų7839.6 Ų39.642%0.41722%0.218SC..  trans-123.6-9.3-179.383.8-18.8000113.8Y257 D289Y257-D259 HydrophobicContact CD1-CB 4.17Å; Y257-D259 PolarHBondContact O-N 2.97Å; D259-D289 PolarHBondContact N-OD2 3.23Å
260N95.5Very high95.2Very high35 Ų3541.7 Ų41.719%0.18723%0.226CC..SBendtrans-100.7129172.9-67.1-84.7000110.5D287 K288 D289N260-D287 WeakPolarHBondContact CB-OD1 3.32Å; N260-K288 HydrophobicContact CB-CB 4.16Å; N260-D289 VanDerWaalsContact CB-OD1 3.3Å; N260-D289 WeakPolarHBondContact CB-OD1 3.04Å; N260-D289 PolarHBondContact N-OD2 3.32Å; N260-D289 VanDerWaalsContact N-OD2 3.08Å; N260-D289 PolarHBondContact ND2-OD1 3.15Å
261A95.9Very high94.6Very high40 Ų4042 Ų4233%0.33123%0.228SC..PPolyproline II helixtrans-83.8140.8173.500000110.6L348 N350A261-L348 HydrophobicContact CB-CB 4Å; A261-N350 HydrophobicContact CB-CB 3.95Å
262P96.8Very high93.8Very high0 Ų041.7 Ų41.70%023%0.228CC..PPolyproline II helixtrans-70.6164.1-175.225.2-34.7000113R286 D287 F297 I340 D342 N350P262-R286 CarbonylContact C-O 3.55Å; P262-R286 VanDerWaalsContact CA-O 3.29Å; P262-R286 WeakPolarHBondContact CA-O 3.42Å; P262-D287 VanDerWaalsContact CA-OD2 3.24Å; P262-D287 WeakPolarHBondContact CA-OD2 3.48Å; P262-D287 HydrophobicContact CB-CB 4.48Å; P262-D287 WeakPolarHBondContact CB-OD2 3.36Å; P262-D287 VanDerWaalsContact CD-OD2 3.28Å; P262-D287 WeakPolarHBondContact CD-OD2 3.38Å; P262-F297 HydrophobicContact CB-CD1 3.86Å; P262-F297 HydrophobicContact CB-CE1 3.73Å; P262-F297 HydrophobicContact CG-CD1 4.28Å; P262-F297 HydrophobicContact CG-CE1 4.46Å; P262-I340 HydrophobicContact CB-CD1 3.85Å; P262-I340 HydrophobicContact CB-CG1 3.88Å; P262-I340 HydrophobicContact CB-CG2 4.29Å; P262-I340 HydrophobicContact CG-CB 4.44Å; P262-I340 HydrophobicContact CG-CD1 4.36Å; P262-I340 HydrophobicContact CG-CG1 3.81Å; P262-I340 HydrophobicContact CG-CG2 4.15Å; P262-I340 VanDerWaalsContact O-CG2 3.25Å; P262-I340 WeakPolarHBondContact O-CG2 3.49Å; P262-D342 HydrophobicContact CG-CB 3.92Å; P262-N350 WeakPolarHBondContact O-CB 3.35Å
263F95.2Very high92.6Very high85 Ų8545.2 Ų45.237%0.37324%0.244SC..EExtended strand (participates in β ladder)trans-141.1162.2172.465.3-85000112.5V265 G285 R286 T352F263-V265 HydrophobicContact CD2-CG1 3.96Å; F263-V265 HydrophobicContact CE2-CG1 3.64Å; F263-G285 CarbonylContact O-C 3.57Å; F263-G285 WeakPolarHBondContact O-CA 3.41Å; F263-R286 HydrophobicContact CD1-CB 4.28Å; F263-R286 WeakPolarHBondContact CD1-O 3.39Å; F263-R286 HydrophobicContact CD2-CB 4.2Å; F263-R286 HydrophobicContact CE1-CB 3.82Å; F263-R286 HydrophobicContact CE2-CB 3.74Å; F263-R286 HydrophobicContact CE2-CG 4.26Å; F263-R286 HydrophobicContact CG-CB 4.46Å; F263-R286 HydrophobicContact CZ-CB 3.53Å; F263-R286 HydrophobicContact CZ-CG 4.35Å; F263-R286 PolarHBondContact N-O 2.91Å; F263-R286 PolarHBondContact O-N 3.07Å; F263-T352 HydrophobicContact CB-CG2 3.78Å
264V95.3Very high91.3Very high7 Ų748.1 Ų48.14%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-100144.4-178.7-59.60000112.6V283 A284 I299 L338 I340 T352 V354V264-V283 HydrophobicContact CB-CB 4.34Å; V264-A284 CarbonylContact C-O 3.57Å; V264-A284 WeakPolarHBondContact CA-O 3.45Å; V264-I299 HydrophobicContact CG1-CD1 4.11Å; V264-I299 HydrophobicContact CG1-CG2 4.32Å; V264-L338 HydrophobicContact CG1-CD1 4.41Å; V264-L338 HydrophobicContact CG2-CD1 4.32Å; V264-I340 HydrophobicContact CG1-CB 4.22Å; V264-I340 HydrophobicContact CG1-CD1 3.84Å; V264-I340 HydrophobicContact CG1-CG2 4.38Å; V264-T352 VanDerWaalsContact CG2-OG1 3.23Å; V264-T352 WeakPolarHBondContact CG2-OG1 3.01Å; V264-V354 HydrophobicContact CG2-CG2 3.65Å
265V94.4Very high89.6Confident48 Ų4848.4 Ų48.429%0.29127%0.265SS..EExtended strand (participates in β ladder)trans-132.5142.8170-61.80000110.7F263 V283 A284 R286F263-V265 HydrophobicContact CD2-CG1 3.96Å; F263-V265 HydrophobicContact CE2-CG1 3.64Å; V265-V283 CarbonylContact O-C 3.57Å; V265-V283 WeakPolarHBondContact O-CA 3.26Å; V265-A284 HydrophobicContact CG2-CB 4.1Å; V265-A284 PolarHBondContact N-O 2.92Å; V265-A284 PolarHBondContact O-N 2.98Å; V265-R286 HydrophobicContact CG1-CG 4.19Å; V265-R286 HydrophobicContact CG2-CG 3.66Å
266P93.4Very high87.6Confident67 Ų6746.2 Ų46.244%0.43527%0.269SS..  cis-74.7151.8-2.932.7-35.5000112.4V268P266-V268 PolarHBondContact O-N 2.76Å
267S92.1Very high85.9Confident75 Ų7550.9 Ų50.952%0.52429%0.294SS..SBendtrans-79.1-5.7174.857.40000113.5K355S267-K355 PolarHBondContact O-N 2.79Å
268V91.1Very high84.8Confident60 Ų6052.9 Ų52.936%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-130.5129.7176.7-175.40000109.1P266 K355 Q357P266-V268 PolarHBondContact O-N 2.76Å; V268-K355 CarbonylContact C-O 3.56Å; V268-K355 WeakPolarHBondContact CA-O 3.33Å; V268-K355 HydrophobicContact CG2-CB 4.35Å; V268-Q357 HydrophobicContact CG1-CG 4.3Å
269A89.4Confident83.8Confident5 Ų556.8 Ų56.84%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-121.3146.3173.700000109.8V280 A281 V354 K355 V356 Q357A269-V280 HydrophobicContact CB-CG1 4.21Å; A269-A281 HydrophobicContact CB-CB 3.66Å; A269-V354 HydrophobicContact CB-CG1 4.1Å; A269-K355 PolarHBondContact N-O 3.44Å; A269-V356 HydrophobicContact CB-CG2 4.43Å; A269-V356 CarbonylContact O-C 3.57Å; A269-V356 WeakPolarHBondContact O-CA 3.11Å; A269-Q357 PolarHBondContact O-N 3.22Å
270Q86.7Confident83.1Confident81 Ų8153.7 Ų53.738%0.37931%0.312SS..EExtended strand (participates in β ladder)trans-123.6123.5178.3-66.5-173.6-17.300110.3Q357 R366Q270-Q357 WeakPolarHBondContact CA-O 3.27Å; Q270-Q357 HydrophobicContact CG-CB 4.2Å; Q270-R366 PolarHBondContact O-NH1 2.86Å
271V86.8Confident82.8Confident7 Ų752.9 Ų52.94%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-126.7148.9-179.668.70000110.2A275 V280 V356 Q357 V358 C359V271-A275 HydrophobicContact CG2-CB 3.98Å; V271-V280 HydrophobicContact CB-CG1 4.25Å; V271-V280 HydrophobicContact CG2-CG2 4.33Å; V271-V356 HydrophobicContact CG1-CG1 3.8Å; V271-Q357 PolarHBondContact N-O 2.69Å; V271-V358 HydrophobicContact CG1-CB 4.41Å; V271-V358 HydrophobicContact CG1-CG2 3.78Å; V271-V358 CarbonylContact O-C 3.32Å; V271-V358 WeakPolarHBondContact O-CA 3.39Å; V271-C359 PolarHBondContact O-N 3.04Å
272C81.1Confident82.6Confident21 Ų2154 Ų5414%0.14231%0.313CS..EExtended strand (participates in β ladder)trans-82.6144.2176.2-600000110.7D274 A275 C359 C361 R366C272-D274 WeakPolarHBondContact CB-OD1 3.26Å; C272-D274 PolarHBondContact O-N 2.97Å; C272-A275 HydrophobicContact CB-CB 4.36Å; C272-A275 VanDerWaalsContact O-CB 3.28Å; C272-A275 WeakPolarHBondContact O-CB 3.33Å; C272-A275 PolarHBondContact O-N 3.25Å; C272-A275 VanDerWaalsContact O-N 3.14Å; C272-C359 CarbonylContact C-O 3.54Å; C272-C359 WeakPolarHBondContact CA-O 3.47Å; C272-C361 WeakPolarHBondContact CA-SG 3.27Å; C272-C361 HydrophobicContact CB-CB 3.59Å; C272-C361 WeakPolarHBondContact CB-SG 3.45Å; C272-C361 WeakPolarHBondContact SG-CB 3.47Å; C272-C361 CovalentContact SG-SG 2.01Å; C272-C361 PolarHBondContact SG-SG 2.94Å; C272-R366 PolarHBondContact SG-NE 2.77Å
273E75.2Confident82.5Confident74 Ų7454 Ų5435%0.34631%0.313SS..THydrogen-bonded Turntrans-63.7-26-17968.7-176.716300113.9A275 V358 C359 I360E273-A275 VanDerWaalsContact C-N 3.34Å; E273-V358 HydrophobicContact CB-CG1 3.78Å; E273-C359 PolarHBondContact N-O 3.48Å; E273-I360 WeakPolarHBondContact OE1-CG1 3.35Å; E273-I360 WeakPolarHBondContact OE1-CG2 3.13Å
274D70.3Confident82.5Confident119 Ų11950.4 Ų50.464%0.63630%0.299SS*.THydrogen-bonded Turntrans-88.10178.660.3-25.5000113.3C272 G276C272-D274 WeakPolarHBondContact CB-OD1 3.26Å; C272-D274 PolarHBondContact O-N 2.97Å; D274-G276 PolarHBondContact O-N 2.76Å
275A62.1Low82.5Confident12 Ų1250.3 Ų50.310%0.09930%0.299CS..  trans-8086.3176.800000110.6V271 C272 E273 M278V271-A275 HydrophobicContact CG2-CB 3.98Å; C272-A275 HydrophobicContact CB-CB 4.36Å; C272-A275 VanDerWaalsContact O-CB 3.28Å; C272-A275 WeakPolarHBondContact O-CB 3.33Å; C272-A275 PolarHBondContact O-N 3.25Å; C272-A275 VanDerWaalsContact O-N 3.14Å; E273-A275 VanDerWaalsContact C-N 3.34Å; A275-M278 HydrophobicContact CB-CB 3.99Å; A275-M278 HydrophobicContact CB-SD 4.13Å
276G55.1Low82.6Confident54 Ų5454.9 Ų54.956%0.55731%0.311SS*.SBendtrans-82.9131.8166.100000111.1D274D274-G276 PolarHBondContact O-N 2.76Å
277D60.5Low82.7Confident124 Ų12453.1 Ų53.166%0.66330%0.298SS*.SBendtrans59.446.8175.5-143.214.2000114
278M70.9Confident82.9Confident114 Ų11456 Ų5656%0.56230%0.301SS*.EExtended strand (participates in β ladder)trans-125.5153-172.6-156.5156.7-172.900112.9A275 V280 L325A275-M278 HydrophobicContact CB-CB 3.99Å; A275-M278 HydrophobicContact CB-SD 4.13Å; M278-V280 PolarHBondContact O-N 2.88Å; M278-L325 PolarHBondContact O-N 2.99Å
279N76.1Confident83.1Confident86 Ų8653.5 Ų53.546%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-66.3116.5173.3-63.5-26.6000109.6Q322N279-Q322 HydrophobicContact CB-CG 4.44Å; N279-Q322 PolarHBondContact ND2-NE2 2.86Å; N279-Q322 PolarHBondContact OD1-NE2 2.91Å
280V82.3Confident83.3Confident14 Ų1457 Ų579%0.08530%0.303CS..EExtended strand (participates in β ladder)trans-79.6-52.1-177.2174.10000109.9A269 V271 M278 W311 I323 L325 V356A269-V280 HydrophobicContact CB-CG1 4.21Å; V271-V280 HydrophobicContact CB-CG1 4.25Å; V271-V280 HydrophobicContact CG2-CG2 4.33Å; M278-V280 PolarHBondContact O-N 2.88Å; V280-W311 HydrophobicContact CB-CZ3 4.45Å; V280-W311 HydrophobicContact CG1-CZ3 4.09Å; V280-W311 HydrophobicContact CG2-CE3 4.4Å; V280-W311 HydrophobicContact CG2-CZ3 3.8Å; V280-I323 HydrophobicContact CB-CB 4.38Å; V280-I323 HydrophobicContact CB-CG2 4.17Å; V280-I323 WeakPolarHBondContact CB-O 3.35Å; V280-I323 HydrophobicContact CG1-CG2 4.45Å; V280-I323 PolarHBondContact N-O 3.43Å; V280-L325 HydrophobicContact CG2-CB 3.46Å; V280-L325 VanDerWaalsContact CG2-CB 3.46Å; V280-V356 HydrophobicContact CG1-CG1 3.89Å
281A87.9Confident83.6Confident17 Ų1757.3 Ų57.314%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-159.5155.6179.600000110.1A269 I323A269-A281 HydrophobicContact CB-CB 3.66Å; A281-I323 PolarHBondContact N-O 3.23Å; A281-I323 PolarHBondContact O-N 3.23Å
282V92.3Very high83.9Confident64 Ų6461.5 Ų61.539%0.38835%0.347SS..EExtended strand (participates in β ladder)trans-101.7123161.2177.50000106.4I316 H320 S321V282-I316 HydrophobicContact CB-CD1 4.4Å; V282-I316 HydrophobicContact CG1-CD1 3.69Å; V282-I316 HydrophobicContact CG2-CD1 3.86Å; V282-H320 HydrophobicContact CG1-CB 3.98Å; V282-S321 WeakPolarHBondContact CA-O 3.4Å
283V94.7Very high84.6Confident0 Ų061.6 Ų61.60%035%0.346CS..EExtended strand (participates in β ladder)trans-104.8139.3174.9-67.50000109.6V264 V265 I299 H320 S321 I323 L338 V354V264-V283 HydrophobicContact CB-CB 4.34Å; V265-V283 CarbonylContact O-C 3.57Å; V265-V283 WeakPolarHBondContact O-CA 3.26Å; V283-I299 HydrophobicContact CG2-CD1 4.23Å; V283-H320 CarbonylContact O-C 3.55Å; V283-H320 VanDerWaalsContact O-CA 3.28Å; V283-H320 WeakPolarHBondContact O-CA 3.32Å; V283-S321 WeakPolarHBondContact CG2-O 3.48Å; V283-S321 PolarHBondContact N-O 2.79Å; V283-S321 PolarHBondContact O-N 2.89Å; V283-I323 HydrophobicContact CB-CD1 4.47Å; V283-I323 HydrophobicContact CG1-CD1 3.56Å; V283-I323 HydrophobicContact CG1-CG1 4.41Å; V283-I323 HydrophobicContact CG2-CD1 4.06Å; V283-I323 HydrophobicContact CG2-CG1 4.19Å; V283-L338 HydrophobicContact CG2-CD1 4.36Å; V283-V354 HydrophobicContact CG1-CG2 4.31Å
284A95.5Very high85.5Confident9 Ų958.6 Ų58.67%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-105.5135.8172.600000109.3V264 V265 T319V264-A284 CarbonylContact C-O 3.57Å; V264-A284 WeakPolarHBondContact CA-O 3.45Å; V265-A284 HydrophobicContact CG2-CB 4.1Å; V265-A284 PolarHBondContact N-O 2.92Å; V265-A284 PolarHBondContact O-N 2.98Å; A284-T319 CarbonylContact C-O 3.57Å; A284-T319 WeakPolarHBondContact CA-O 3.33Å
285G95.3Very high86.6Confident5 Ų554.4 Ų54.45%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-73.6144.9165.600000110.9F263 F297 T319F263-G285 CarbonylContact O-C 3.57Å; F263-G285 WeakPolarHBondContact O-CA 3.41Å; G285-F297 VanDerWaalsContact CA-CD2 3.45Å; G285-F297 WeakPolarHBondContact O-CE2 3.49Å; G285-T319 PolarHBondContact N-O 2.88Å
286R96Very high88.2Confident145 Ų14556.8 Ų56.855%0.54733%0.33SS..EExtended strand (participates in β ladder)trans-133.8140.3175.1-66.5-64.1-177.6161.6-0.8108.1P262 F263 V265P262-R286 CarbonylContact C-O 3.55Å; P262-R286 VanDerWaalsContact CA-O 3.29Å; P262-R286 WeakPolarHBondContact CA-O 3.42Å; F263-R286 HydrophobicContact CD1-CB 4.28Å; F263-R286 WeakPolarHBondContact CD1-O 3.39Å; F263-R286 HydrophobicContact CD2-CB 4.2Å; F263-R286 HydrophobicContact CE1-CB 3.82Å; F263-R286 HydrophobicContact CE2-CB 3.74Å; F263-R286 HydrophobicContact CE2-CG 4.26Å; F263-R286 HydrophobicContact CG-CB 4.46Å; F263-R286 HydrophobicContact CZ-CB 3.53Å; F263-R286 HydrophobicContact CZ-CG 4.35Å; F263-R286 PolarHBondContact N-O 2.91Å; F263-R286 PolarHBondContact O-N 3.07Å; V265-R286 HydrophobicContact CG1-CG 4.19Å; V265-R286 HydrophobicContact CG2-CG 3.66Å
287D96.4Very high90.2Very high30 Ų3054.6 Ų54.616%0.1631%0.306CS..  trans-138.4156.1174.4-143.5-49.5000108.4N260 P262 D289 A294 F297N260-D287 WeakPolarHBondContact CB-OD1 3.32Å; P262-D287 VanDerWaalsContact CA-OD2 3.24Å; P262-D287 WeakPolarHBondContact CA-OD2 3.48Å; P262-D287 HydrophobicContact CB-CB 4.48Å; P262-D287 WeakPolarHBondContact CB-OD2 3.36Å; P262-D287 VanDerWaalsContact CD-OD2 3.28Å; P262-D287 WeakPolarHBondContact CD-OD2 3.38Å; D287-D289 PolarHBondContact OD1-N 2.89Å; D287-A294 HydrophobicContact CB-CB 3.65Å; D287-F297 HydrophobicContact CB-CE1 3.97Å; D287-F297 HydrophobicContact CB-CZ 3.95Å
288K95.3Very high91.8Very high134 Ų13453.3 Ų53.358%0.58329%0.294SS*.SBendtrans-86.2-22.2172.6-64.5-175.5-178.91730111.9R220 E221 N260R220-K288 PolarHBondContact NH2-O 2.84Å; E221-K288 HydrophobicContact CB-CB 4.46Å; E221-K288 HydrophobicContact CB-CD 4.33Å; E221-K288 HydrophobicContact CG-CB 3.66Å; E221-K288 HydrophobicContact CG-CD 4.35Å; N260-K288 HydrophobicContact CB-CB 4.16Å
289D96.3Very high93Very high8 Ų848.5 Ų48.54%0.04327%0.27CS..SBendtrans-70.4158.8179.2-60.6-9.5000110.9N258 D259 N260 D287 N293 A294N258-D289 WeakPolarHBondContact CA-OD2 3.19Å; N258-D289 PolarHBondContact OD1-OD2 2.99Å; N258-D289 VanDerWaalsContact OD1-OD2 3.12Å; D259-D289 PolarHBondContact N-OD2 3.23Å; N260-D289 VanDerWaalsContact CB-OD1 3.3Å; N260-D289 WeakPolarHBondContact CB-OD1 3.04Å; N260-D289 PolarHBondContact N-OD2 3.32Å; N260-D289 VanDerWaalsContact N-OD2 3.08Å; N260-D289 PolarHBondContact ND2-OD1 3.15Å; D287-D289 PolarHBondContact OD1-N 2.89Å; D289-N293 HydrophobicContact CB-CB 3.86Å; D289-A294 WeakPolarHBondContact O-CB 3.35Å
290L93.6Very high93.9Very high79 Ų7948.1 Ų48.141%0.41427%0.266SS..PPolyproline II helixtrans-89.2168.3176.1-70.7174.9000111.7D256 N293 A294D256-L290 HydrophobicContact CB-CB 4.39Å; D256-L290 PolarHBondContact OD1-N 2.89Å; D256-L290 PolarHBondContact OD2-N 3.1Å; D256-L290 VanDerWaalsContact OD2-N 3.15Å; L290-N293 WeakPolarHBondContact O-CA 3.48Å; L290-N293 WeakPolarHBondContact O-CB 3.3Å; L290-N293 PolarHBondContact O-N 3.13Å; L290-A294 PolarHBondContact O-N 2.86Å; L290-A294 VanDerWaalsContact O-N 3.08Å
291A91.9Very high94.5Very high87 Ų8749.6 Ų49.672%0.71927%0.273SS*.THydrogen-bonded Turntrans-65.2134.4169.200000109
292P93.9Very high94.6Very high96 Ų9649.3 Ų49.362%0.62327%0.272SS*.THydrogen-bonded Turncis-952.713.937.4-36.7000116.1S343P292-S343 PolarHBondContact O-OG 2.8Å
293N95.1Very high94.2Very high22 Ų2256.3 Ų56.312%0.11830%0.297CS..THydrogen-bonded Turntrans-73.7-25.6-174.1-66.2-31.6000113.2D256 N258 D289 L290 D342 G344D256-N293 PolarHBondContact O-ND2 2.77Å; D256-N293 PolarHBondContact OD2-ND2 3.2Å; N258-N293 HydrophobicContact CB-CB 3.83Å; N258-N293 WeakPolarHBondContact OD1-CB 3.42Å; N258-N293 PolarHBondContact OD1-O 3.48Å; D289-N293 HydrophobicContact CB-CB 3.86Å; L290-N293 WeakPolarHBondContact O-CA 3.48Å; L290-N293 WeakPolarHBondContact O-CB 3.3Å; L290-N293 PolarHBondContact O-N 3.13Å; N293-D342 WeakPolarHBondContact O-CB 3.41Å; N293-G344 PolarHBondContact O-N 3.3Å
294A94.3Very high93.8Very high11 Ų1161.3 Ų61.39%0.09132%0.32CS..SBendtrans-84-106.1176.400000115D287 D289 L290 F297 S343D287-A294 HydrophobicContact CB-CB 3.65Å; D289-A294 WeakPolarHBondContact O-CB 3.35Å; L290-A294 PolarHBondContact O-N 2.86Å; L290-A294 VanDerWaalsContact O-N 3.08Å; A294-F297 HydrophobicContact CB-CE1 4.43Å; A294-F297 HydrophobicContact CB-CZ 4.22Å; A294-F297 WeakPolarHBondContact O-CE1 3.44Å; A294-S343 PolarHBondContact O-N 2.82Å; A294-S343 PolarHBondContact O-OG 2.67Å
295A93.8Very high93.3Very high32 Ų3267.3 Ų67.326%0.26436%0.359SS..PPolyproline II helixtrans-77.4146.9-178.100000111.1F297 T319 S343A295-F297 HydrophobicContact CB-CD2 4.06Å; A295-F297 HydrophobicContact CB-CE2 3.69Å; A295-F297 HydrophobicContact CB-CZ 3.95Å; A295-T319 HydrophobicContact CB-CG2 3.68Å; A295-S343 PolarHBondContact O-OG 3.3Å
296P95.7Very high92.7Very high61 Ų6168.4 Ų68.440%0.39637%0.37SS..SBendcis-83.4135.617.4-17.833.7000116.9S318 S343P296-S318 CarbonylContact C-O 3.57Å; P296-S318 WeakPolarHBondContact CA-O 3.34Å; P296-S343 WeakPolarHBondContact CD-OG 3.44Å
297F95.9Very high92.3Very high8 Ų862.3 Ų62.34%0.03535%0.349CS..PPolyproline II helixtrans-88.3136.2-179.8-56-62.5000113.2P262 G285 D287 A294 A295 I299 R315 S318 T319 I340 T341 D342P262-F297 HydrophobicContact CB-CD1 3.86Å; P262-F297 HydrophobicContact CB-CE1 3.73Å; P262-F297 HydrophobicContact CG-CD1 4.28Å; P262-F297 HydrophobicContact CG-CE1 4.46Å; G285-F297 VanDerWaalsContact CA-CD2 3.45Å; G285-F297 WeakPolarHBondContact O-CE2 3.49Å; D287-F297 HydrophobicContact CB-CE1 3.97Å; D287-F297 HydrophobicContact CB-CZ 3.95Å; A294-F297 HydrophobicContact CB-CE1 4.43Å; A294-F297 HydrophobicContact CB-CZ 4.22Å; A294-F297 WeakPolarHBondContact O-CE1 3.44Å; A295-F297 HydrophobicContact CB-CD2 4.06Å; A295-F297 HydrophobicContact CB-CE2 3.69Å; A295-F297 HydrophobicContact CB-CZ 3.95Å; F297-I299 HydrophobicContact CB-CG1 4.32Å; F297-R315 VanDerWaalsContact C-NH2 3.3Å; F297-R315 PolarHBondContact O-NE 3.02Å; F297-R315 PolarHBondContact O-NH2 2.8Å; F297-S318 PolarHBondContact N-O 3.42Å; F297-T319 HydrophobicContact CD2-CG2 4.44Å; F297-T319 HydrophobicContact CE2-CG2 4.31Å; F297-I340 HydrophobicContact CB-CD1 4Å; F297-I340 HydrophobicContact CB-CG1 4.14Å; F297-I340 HydrophobicContact CD1-CD1 4.21Å; F297-I340 HydrophobicContact CD1-CG1 4.44Å; F297-I340 HydrophobicContact CG-CD1 4.05Å; F297-I340 HydrophobicContact CG-CG1 4.49Å; F297-T341 CarbonylContact C-O 3.57Å; F297-T341 WeakPolarHBondContact CA-O 3.31Å; F297-D342 HydrophobicContact CD1-CB 4.47Å; F297-D342 HydrophobicContact CE1-CB 4.44Å
298K95.4Very high91.8Very high98 Ų9865.9 Ų65.943%0.42637%0.368SS..EExtended strand (participates in β ladder)trans-97.6110.1167.3-167.2-169.3-172.7-143.90108.8E300 I340 T341K298-E300 WeakPolarHBondContact CE-OE1 3.19Å; K298-E300 WeakPolarHBondContact CE-OE2 3.42Å; K298-E300 HydrophobicContact CG-CG 4.29Å; K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 PolarHBondContact NZ-OE1 3.26Å; K298-E300 IonicContact NZ-OE2 3.28Å; K298-E300 PolarHBondContact NZ-OE2 3.46Å; K298-I340 CarbonylContact O-C 3.52Å; K298-I340 WeakPolarHBondContact O-CA 3.19Å; K298-T341 PolarHBondContact N-O 2.99Å; K298-T341 PolarHBondContact O-N 3.24Å
299I95.6Very high91.4Very high12 Ų1266.1 Ų66.16%0.06237%0.369CS..EExtended strand (participates in β ladder)trans-110.5118.7-179.8-53.9174.5000108.7V264 V283 F297 V313 L338 L339 I340V264-I299 HydrophobicContact CG1-CD1 4.11Å; V264-I299 HydrophobicContact CG1-CG2 4.32Å; V283-I299 HydrophobicContact CG2-CD1 4.23Å; F297-I299 HydrophobicContact CB-CG1 4.32Å; I299-V313 HydrophobicContact CB-CG1 4.47Å; I299-V313 HydrophobicContact CG2-CG1 4.18Å; I299-V313 WeakPolarHBondContact O-CG1 3.43Å; I299-L338 HydrophobicContact CG2-CB 4.32Å; I299-L338 HydrophobicContact CG2-CD1 4.18Å; I299-L339 CarbonylContact C-O 3.55Å; I299-L339 WeakPolarHBondContact CA-O 3.44Å; I299-I340 HydrophobicContact CD1-CD1 4.01Å; I299-I340 HydrophobicContact CG1-CB 4.28Å; I299-I340 HydrophobicContact CG1-CD1 3.83Å; I299-I340 HydrophobicContact CG1-CG1 3.84Å
300E94.8Very high91Very high79 Ų7967.3 Ų67.337%0.36938%0.376SS..EExtended strand (participates in β ladder)trans-128.6164-177.1-67179.1124.300110.9K298 L338 L339K298-E300 WeakPolarHBondContact CE-OE1 3.19Å; K298-E300 WeakPolarHBondContact CE-OE2 3.42Å; K298-E300 HydrophobicContact CG-CG 4.29Å; K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 PolarHBondContact NZ-OE1 3.26Å; K298-E300 IonicContact NZ-OE2 3.28Å; K298-E300 PolarHBondContact NZ-OE2 3.46Å; E300-L338 CarbonylContact O-C 3.53Å; E300-L338 VanDerWaalsContact O-CA 3.31Å; E300-L338 WeakPolarHBondContact O-CA 3.19Å; E300-L339 PolarHBondContact N-O 2.68Å; E300-L339 PolarHBondContact O-N 2.78Å
301L94.4Very high90.8Very high44 Ų4464 Ų6423%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-66.8141.3171.6-70.5176.2000110.5L307 D308 W311 V313 L336 L338L301-L307 HydrophobicContact CB-CD2 4Å; L301-L307 HydrophobicContact CD2-CD2 3.94Å; L301-L307 HydrophobicContact CD2-CG 4.21Å; L301-L307 HydrophobicContact CG-CD2 4.45Å; L301-D308 HydrophobicContact CD1-CB 4.5Å; L301-W311 HydrophobicContact CD1-CB 4.47Å; L301-W311 WeakPolarHBondContact CD1-O 3.23Å; L301-W311 HydrophobicContact CD2-CB 3.88Å; L301-V313 HydrophobicContact CD2-CG2 3.67Å; L301-V313 HydrophobicContact CG-CG2 4.01Å; L301-L336 HydrophobicContact CD2-CD1 3.81Å; L301-L338 HydrophobicContact CD2-CD2 4.17Å
302G90.7Very high90.8Very high11 Ų1166.2 Ų66.211%0.11335%0.348CS..  trans-64.5165.9173.200000112.9Q304 P337G302-Q304 PolarHBondContact O-N 2.97Å; G302-P337 PolarHBondContact N-O 3.42Å
303K84.3Confident90.8Very high211 Ų21163 Ų6392%0.91733%0.327SS*.SBendtrans-78.151.7-176.5-63.6-176.9179.81770113.5
304Q85.3Confident90.7Very high105 Ų10564.5 Ų64.549%0.49134%0.336SS..  trans-104.7132.2174.4-73-172.9-15.600111.4G302 G306 L307 P337G302-Q304 PolarHBondContact O-N 2.97Å; Q304-G306 PolarHBondContact O-N 3.33Å; Q304-L307 HydrophobicContact CB-CB 4.41Å; Q304-L307 HydrophobicContact CB-CD2 4.43Å; Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 2.96Å; Q304-P337 HydrophobicContact CG-CG 4Å
305P84.6Confident90.7Very high135 Ų13570.8 Ų70.888%0.87736%0.358SS*.THydrogen-bonded Turntrans-60.7131.2179.5-20.931.1000112.4L307P305-L307 VanDerWaalsContact C-N 3.3Å; P305-L307 PolarHBondContact O-N 3.38Å
306G83.9Confident90.8Very high29 Ų2973.3 Ų73.330%0.29937%0.366SS..THydrogen-bonded Turntrans80.82.5174.700000115.4Q304 D308 K309 T310Q304-G306 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact C-N 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.18Å; G306-D308 PolarHBondContact O-N 2.99Å; G306-K309 PolarHBondContact O-N 2.83Å; G306-T310 PolarHBondContact O-OG1 2.65Å
307L86.8Confident90.7Very high17 Ų1773.8 Ų73.89%0.08937%0.365CS..Hα-helixtrans-64-36.5176.2-155.771.6000111.2L301 Q304 P305 K309 T310 W311 L336 P337L301-L307 HydrophobicContact CB-CD2 4Å; L301-L307 HydrophobicContact CD2-CD2 3.94Å; L301-L307 HydrophobicContact CD2-CG 4.21Å; L301-L307 HydrophobicContact CG-CD2 4.45Å; Q304-L307 HydrophobicContact CB-CB 4.41Å; Q304-L307 HydrophobicContact CB-CD2 4.43Å; Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 2.96Å; P305-L307 VanDerWaalsContact C-N 3.3Å; P305-L307 PolarHBondContact O-N 3.38Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.78Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-T310 VanDerWaalsContact O-N 3.14Å; L307-W311 PolarHBondContact O-N 2.64Å; L307-L336 HydrophobicContact CD1-CD1 3.91Å; L307-L336 HydrophobicContact CD2-CD1 3.88Å; L307-L336 HydrophobicContact CG-CD1 3.96Å; L307-P337 HydrophobicContact CD2-CG 3.97Å
308D86.1Confident90.6Very high105 Ų10576.4 Ų76.456%0.56138%0.384SS*.Hα-helixtrans-64.2-24.1175.963.2-56.6000114.1L301 G306 T310 L326L301-D308 HydrophobicContact CD1-CB 4.5Å; G306-D308 VanDerWaalsContact C-N 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.18Å; G306-D308 PolarHBondContact O-N 2.99Å; D308-T310 VanDerWaalsContact C-N 3.35Å; D308-L326 WeakPolarHBondContact O-CD1 3.43Å
309K87.2Confident90.6Very high139 Ų13973.7 Ų73.760%0.60438%0.376SS*.Hα-helixtrans-79.2-22.5175.5-61.4-177.2179.7179.10112.6G306 L307 Q327G306-K309 PolarHBondContact O-N 2.83Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.78Å; K309-Q327 PolarHBondContact O-NE2 2.92Å
310T87.7Confident90.6Very high32 Ų3276.3 Ų76.320%0.19639%0.388CS..Hα-helixtrans-106.7-39.3-173-50.10000111.5G306 L307 D308 L325 L326 L329G306-T310 PolarHBondContact O-OG1 2.65Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-T310 VanDerWaalsContact O-N 3.14Å; D308-T310 VanDerWaalsContact C-N 3.35Å; T310-L325 HydrophobicContact CG2-CD1 4.11Å; T310-L326 PolarHBondContact O-N 2.78Å; T310-L329 HydrophobicContact CG2-CD1 4.26Å; T310-L329 HydrophobicContact CG2-CD2 3.93Å; T310-L329 HydrophobicContact CG2-CG 4.4Å
311W90.4Very high90.6Very high11 Ų1172.7 Ų72.74%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-122.9150.6-173.2-54.597.6000110.6V280 L301 L307 I323 M324 L325 L329 L336 V356V280-W311 HydrophobicContact CB-CZ3 4.45Å; V280-W311 HydrophobicContact CG1-CZ3 4.09Å; V280-W311 HydrophobicContact CG2-CE3 4.4Å; V280-W311 HydrophobicContact CG2-CZ3 3.8Å; L301-W311 HydrophobicContact CD1-CB 4.47Å; L301-W311 WeakPolarHBondContact CD1-O 3.23Å; L301-W311 HydrophobicContact CD2-CB 3.88Å; L307-W311 PolarHBondContact O-N 2.64Å; W311-I323 HydrophobicContact CE3-CG2 3.9Å; W311-I323 HydrophobicContact CZ3-CG2 4.38Å; W311-M324 WeakPolarHBondContact CA-O 3.37Å; W311-L325 HydrophobicContact CD2-CD1 4.23Å; W311-L325 HydrophobicContact CE3-CD1 3.86Å; W311-L325 HydrophobicContact CH2-CD1 3.74Å; W311-L325 HydrophobicContact CZ2-CD1 4.14Å; W311-L325 HydrophobicContact CZ3-CB 4.31Å; W311-L325 HydrophobicContact CZ3-CD1 3.61Å; W311-L329 HydrophobicContact CH2-CD1 3.6Å; W311-L329 HydrophobicContact CZ2-CD1 3.39Å; W311-L336 HydrophobicContact CB-CD1 4.16Å; W311-L336 HydrophobicContact CD2-CD1 4.12Å; W311-L336 HydrophobicContact CD2-CD2 4.09Å; W311-L336 HydrophobicContact CE3-CD2 4.12Å; W311-L336 HydrophobicContact CG-CD1 3.71Å; W311-L336 HydrophobicContact CG-CD2 4.34Å; W311-V356 HydrophobicContact CH2-CB 3.92Å; W311-V356 HydrophobicContact CH2-CG1 3.7Å; W311-V356 HydrophobicContact CH2-CG2 3.85Å; W311-V356 HydrophobicContact CZ2-CG2 4.41Å; W311-V356 HydrophobicContact CZ3-CG1 4.24Å; W311-V356 HydrophobicContact CZ3-CG2 4.2Å
312R91.8Very high90.6Very high133 Ų13372.5 Ų72.550%0.50237%0.369SS..EExtended strand (participates in β ladder)trans-133.2136.2168.6178.5-178.1-64.3176.32.5109T314 M324 L326R312-T314 HydrophobicContact CG-CG2 4.1Å; R312-M324 HydrophobicContact CB-CB 4.29Å; R312-M324 PolarHBondContact N-O 2.76Å; R312-M324 PolarHBondContact O-N 3.49Å; R312-L326 HydrophobicContact CB-CD1 4.22Å; R312-L326 HydrophobicContact CB-CD2 4.1Å; R312-L326 HydrophobicContact CB-CG 4.23Å
313V93.8Very high90.7Very high29 Ų2972 Ų7218%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-112.6125.5173.2-177.70000108.4I299 L301 Q322 I323 L338I299-V313 HydrophobicContact CB-CG1 4.47Å; I299-V313 HydrophobicContact CG2-CG1 4.18Å; I299-V313 WeakPolarHBondContact O-CG1 3.43Å; L301-V313 HydrophobicContact CD2-CG2 3.67Å; L301-V313 HydrophobicContact CG-CG2 4.01Å; V313-Q322 VanDerWaalsContact CA-O 3.31Å; V313-Q322 WeakPolarHBondContact CA-O 3.43Å; V313-I323 HydrophobicContact CG2-CG1 4.49Å; V313-L338 HydrophobicContact CG2-CD2 3.89Å
314T93.1Very high90.9Very high52 Ų5263.7 Ų63.732%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-123133.5176.650.70000109.8R312 I316 S321 Q322R312-T314 HydrophobicContact CG-CG2 4.1Å; T314-I316 PolarHBondContact O-N 2.92Å; T314-S321 CarbonylContact O-C 3.49Å; T314-S321 VanDerWaalsContact O-CA 3.27Å; T314-S321 WeakPolarHBondContact O-CA 3.34Å; T314-S321 WeakPolarHBondContact O-CB 3.35Å; T314-Q322 PolarHBondContact N-O 2.88Å; T314-Q322 PolarHBondContact O-N 2.89Å
315R94.3Very high91Very high143 Ų14358.8 Ų58.854%0.5431%0.306SS..EExtended strand (participates in β ladder)trans-70.1129.7175.4-176.8-177.6-84.1178.2-4.7109.3F297 N317F297-R315 VanDerWaalsContact C-NH2 3.3Å; F297-R315 PolarHBondContact O-NE 3.02Å; F297-R315 PolarHBondContact O-NH2 2.8Å; R315-N317 WeakPolarHBondContact CD-O 3.22Å; R315-N317 WeakPolarHBondContact CG-O 3.36Å
316I94.3Very high91.1Very high85 Ų8554.7 Ų54.744%0.43628%0.276SS..  trans-91.3-51.1172.9-65.6162.6000109.9V282 T314 H320 Q322V282-I316 HydrophobicContact CB-CD1 4.4Å; V282-I316 HydrophobicContact CG1-CD1 3.69Å; V282-I316 HydrophobicContact CG2-CD1 3.86Å; T314-I316 PolarHBondContact O-N 2.92Å; I316-H320 HydrophobicContact CB-CB 4.44Å; I316-H320 PolarHBondContact N-O 3.38Å; I316-Q322 HydrophobicContact CD1-CB 3.72Å; I316-Q322 HydrophobicContact CG1-CB 3.94Å
317N95.1Very high91Very high72 Ų7258.5 Ų58.539%0.38529%0.286SS..SBendtrans-147.4-166-179.763.537.8000109.9R315 T319 H320R315-N317 WeakPolarHBondContact CD-O 3.22Å; R315-N317 WeakPolarHBondContact CG-O 3.36Å; N317-T319 PolarHBondContact O-N 2.9Å; N317-T319 PolarHBondContact OD1-N 2.89Å; N317-T319 PolarHBondContact OD1-OG1 2.88Å; N317-T319 VanDerWaalsContact OD1-OG1 3.12Å; N317-H320 PolarHBondContact N-O 3.04Å; N317-H320 WeakPolarHBondContact OD1-CB 3.15Å; N317-H320 PolarHBondContact OD1-N 2.93Å; N317-H320 PolarHBondContact OD1-ND1 2.88Å
318S93.3Very high90.6Very high62 Ų6262 Ų6243%0.43431%0.313SS..SBendtrans-63.7-23.6-178.9530000114.2P296 F297P296-S318 CarbonylContact C-O 3.57Å; P296-S318 WeakPolarHBondContact CA-O 3.34Å; F297-S318 PolarHBondContact N-O 3.42Å
319T95.5Very high90.4Very high42 Ų4258.3 Ų58.326%0.25829%0.293SS..SBendtrans-117.2-22.9-174.350.10000114.2A284 G285 A295 F297 N317A284-T319 CarbonylContact C-O 3.57Å; A284-T319 WeakPolarHBondContact CA-O 3.33Å; G285-T319 PolarHBondContact N-O 2.88Å; A295-T319 HydrophobicContact CB-CG2 3.68Å; F297-T319 HydrophobicContact CD2-CG2 4.44Å; F297-T319 HydrophobicContact CE2-CG2 4.31Å; N317-T319 PolarHBondContact O-N 2.9Å; N317-T319 PolarHBondContact OD1-N 2.89Å; N317-T319 PolarHBondContact OD1-OG1 2.88Å; N317-T319 VanDerWaalsContact OD1-OG1 3.12Å
320H95.6Very high90.2Very high67 Ų6760.1 Ų60.131%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-116.6140.9-172.4-63.969.7000112.2V282 V283 I316 N317V282-H320 HydrophobicContact CG1-CB 3.98Å; V283-H320 CarbonylContact O-C 3.55Å; V283-H320 VanDerWaalsContact O-CA 3.28Å; V283-H320 WeakPolarHBondContact O-CA 3.32Å; I316-H320 HydrophobicContact CB-CB 4.44Å; I316-H320 PolarHBondContact N-O 3.38Å; N317-H320 PolarHBondContact N-O 3.04Å; N317-H320 WeakPolarHBondContact OD1-CB 3.15Å; N317-H320 PolarHBondContact OD1-N 2.93Å; N317-H320 PolarHBondContact OD1-ND1 2.88Å
321S95.3Very high90Very high2 Ų263.1 Ų63.11%0.01431%0.311CS..EExtended strand (participates in β ladder)trans-127.9146.3170.2-67.30000110.6V282 V283 T314V282-S321 WeakPolarHBondContact CA-O 3.4Å; V283-S321 WeakPolarHBondContact CG2-O 3.48Å; V283-S321 PolarHBondContact N-O 2.79Å; V283-S321 PolarHBondContact O-N 2.89Å; T314-S321 CarbonylContact O-C 3.49Å; T314-S321 VanDerWaalsContact O-CA 3.27Å; T314-S321 WeakPolarHBondContact O-CA 3.34Å; T314-S321 WeakPolarHBondContact O-CB 3.35Å
322Q93.9Very high89.7Confident41 Ų4164.3 Ų64.319%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-94.9133.9176-176.3157.757.700110.3N279 V313 T314 I316 M324N279-Q322 HydrophobicContact CB-CG 4.44Å; N279-Q322 PolarHBondContact ND2-NE2 2.86Å; N279-Q322 PolarHBondContact OD1-NE2 2.91Å; V313-Q322 VanDerWaalsContact CA-O 3.31Å; V313-Q322 WeakPolarHBondContact CA-O 3.43Å; T314-Q322 PolarHBondContact N-O 2.88Å; T314-Q322 PolarHBondContact O-N 2.89Å; I316-Q322 HydrophobicContact CD1-CB 3.72Å; I316-Q322 HydrophobicContact CG1-CB 3.94Å; Q322-M324 HydrophobicContact CG-CG 4.09Å
323I92.5Very high89.6Confident0 Ų061.5 Ų61.50%032%0.318CS..EExtended strand (participates in β ladder)trans-100.3123.9171.2-56172.4000107.4V280 A281 V283 W311 V313 L336 L338V280-I323 HydrophobicContact CB-CB 4.38Å; V280-I323 HydrophobicContact CB-CG2 4.17Å; V280-I323 WeakPolarHBondContact CB-O 3.35Å; V280-I323 HydrophobicContact CG1-CG2 4.45Å; V280-I323 PolarHBondContact N-O 3.43Å; A281-I323 PolarHBondContact N-O 3.23Å; A281-I323 PolarHBondContact O-N 3.23Å; V283-I323 HydrophobicContact CB-CD1 4.47Å; V283-I323 HydrophobicContact CG1-CD1 3.56Å; V283-I323 HydrophobicContact CG1-CG1 4.41Å; V283-I323 HydrophobicContact CG2-CD1 4.06Å; V283-I323 HydrophobicContact CG2-CG1 4.19Å; W311-I323 HydrophobicContact CE3-CG2 3.9Å; W311-I323 HydrophobicContact CZ3-CG2 4.38Å; V313-I323 HydrophobicContact CG2-CG1 4.49Å; I323-L336 HydrophobicContact CD1-CD2 4.08Å; I323-L336 HydrophobicContact CG2-CD2 3.65Å; I323-L338 HydrophobicContact CD1-CD1 3.94Å
324M89.1Confident89.3Confident36 Ų3663.2 Ų63.218%0.17732%0.322CS..EExtended strand (participates in β ladder)trans-115143.4177.9-57.8-179.272.800110.1W311 R312 Q322W311-M324 WeakPolarHBondContact CA-O 3.37Å; R312-M324 HydrophobicContact CB-CB 4.29Å; R312-M324 PolarHBondContact N-O 2.76Å; R312-M324 PolarHBondContact O-N 3.49Å; Q322-M324 HydrophobicContact CG-CG 4.09Å
325L87.8Confident89.2Confident3 Ų366.4 Ų66.42%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-99.3120.1173.7-17668000109.8M278 V280 T310 W311 Q327 L329M278-L325 PolarHBondContact O-N 2.99Å; V280-L325 HydrophobicContact CG2-CB 3.46Å; V280-L325 VanDerWaalsContact CG2-CB 3.46Å; T310-L325 HydrophobicContact CG2-CD1 4.11Å; W311-L325 HydrophobicContact CD2-CD1 4.23Å; W311-L325 HydrophobicContact CE3-CD1 3.86Å; W311-L325 HydrophobicContact CH2-CD1 3.74Å; W311-L325 HydrophobicContact CZ2-CD1 4.14Å; W311-L325 HydrophobicContact CZ3-CB 4.31Å; W311-L325 HydrophobicContact CZ3-CD1 3.61Å; L325-Q327 VanDerWaalsContact CD1-O 3.28Å; L325-Q327 WeakPolarHBondContact CD1-O 3.19Å; L325-Q327 WeakPolarHBondContact CD2-O 3.46Å; L325-Q327 WeakPolarHBondContact CG-O 3.2Å; L325-L329 HydrophobicContact CD1-CD1 3.49Å; L325-L329 VanDerWaalsContact CD1-CD1 3.49Å; L325-L329 HydrophobicContact CD1-CG 3.84Å; L325-L329 HydrophobicContact CD2-CD1 4.37Å; L325-L329 HydrophobicContact CD2-CG 4.33Å
326L85.9Confident89.1Confident49 Ų4959.6 Ų59.626%0.25731%0.307SS..SBendtrans-88.2-21.3-177.7-59.5178.5000113D308 T310 R312D308-L326 WeakPolarHBondContact O-CD1 3.43Å; T310-L326 PolarHBondContact O-N 2.78Å; R312-L326 HydrophobicContact CB-CD1 4.22Å; R312-L326 HydrophobicContact CB-CD2 4.1Å; R312-L326 HydrophobicContact CB-CG 4.23Å
327Q82.1Confident89.1Confident109 Ų10956 Ų5651%0.50929%0.289SS..SBendtrans-138.1140-178.3-60.1-176.721.900110.3K309 L325 L329K309-Q327 PolarHBondContact O-NE2 2.92Å; L325-Q327 VanDerWaalsContact CD1-O 3.28Å; L325-Q327 WeakPolarHBondContact CD1-O 3.19Å; L325-Q327 WeakPolarHBondContact CD2-O 3.46Å; L325-Q327 WeakPolarHBondContact CG-O 3.2Å; Q327-L329 PolarHBondContact O-N 3.12Å
328S78.5Confident89Confident91 Ų9152.5 Ų52.564%0.63627%0.271SS*.  trans-58.5137.2175.159.20000110.9
329L81.5Confident89.2Confident27 Ų2752 Ų5214%0.14126%0.263CS..  trans-112.2148.6180-71.5175.6000110.1T310 W311 L325 Q327 Y334 V358T310-L329 HydrophobicContact CG2-CD1 4.26Å; T310-L329 HydrophobicContact CG2-CD2 3.93Å; T310-L329 HydrophobicContact CG2-CG 4.4Å; W311-L329 HydrophobicContact CH2-CD1 3.6Å; W311-L329 HydrophobicContact CZ2-CD1 3.39Å; L325-L329 HydrophobicContact CD1-CD1 3.49Å; L325-L329 VanDerWaalsContact CD1-CD1 3.49Å; L325-L329 HydrophobicContact CD1-CG 3.84Å; L325-L329 HydrophobicContact CD2-CD1 4.37Å; L325-L329 HydrophobicContact CD2-CG 4.33Å; Q327-L329 PolarHBondContact O-N 3.12Å; L329-Y334 HydrophobicContact CB-CE2 3.87Å; L329-Y334 HydrophobicContact CD1-CD1 4.36Å; L329-Y334 HydrophobicContact CD1-CD2 4.06Å; L329-Y334 HydrophobicContact CD1-CE1 4.28Å; L329-Y334 HydrophobicContact CD1-CE2 3.97Å; L329-Y334 HydrophobicContact CD1-CG 4.25Å; L329-Y334 HydrophobicContact CD2-CE1 3.99Å; L329-Y334 HydrophobicContact CG-CE2 4.36Å; L329-V358 HydrophobicContact CB-CG2 3.95Å; L329-V358 HydrophobicContact CD1-CG2 4.39Å
330K83Confident89.2Confident177 Ų17750 Ų5077%0.7725%0.251SS*.  trans-70.5153.9173-65.6-176.6179.8179.70109.5A332 Y334K330-A332 PolarHBondContact O-N 2.99Å; K330-Y334 PolarHBondContact N-OH 3.44Å; K330-Y334 WeakPolarHBondContact O-CE2 3.4Å; K330-Y334 PolarHBondContact O-OH 2.92Å
331K83.3Confident89.3Confident94 Ų9447.8 Ų47.841%0.40924%0.242SC..SBendtrans-54.4106.1170.9-170.8-161.3-170.5169.80111.2V358 I360 Y367K331-V358 VanDerWaalsContact CG-O 3.26Å; K331-V358 WeakPolarHBondContact CG-O 3.42Å; K331-I360 HydrophobicContact CD-CD1 3.88Å; K331-I360 HydrophobicContact CD-CG1 3.8Å; K331-I360 HydrophobicContact CG-CG1 4.28Å; K331-Y367 WeakPolarHBondContact CE-O 3.39Å
332A85.1Confident89.3Confident37 Ų3748.1 Ų48.131%0.30624%0.243SC..SBendtrans-165174.9176.100000110.1K330 Y334 V358K330-A332 PolarHBondContact O-N 2.99Å; A332-Y334 HydrophobicContact CB-CD2 4.38Å; A332-Y334 HydrophobicContact CB-CE2 3.76Å; A332-V358 PolarHBondContact O-N 2.82Å
333N88.3Confident89.4Confident74 Ų7448.3 Ų48.340%0.39625%0.249SC..EExtended strand (participates in β ladder)trans-99.4118.5169.7-62.3-20.7000108.4S369N333-S369 PolarHBondContact OD1-OG 2.93Å
334Y88.2Confident89.4Confident64 Ų6448.5 Ų48.525%0.25125%0.251SS..EExtended strand (participates in β ladder)trans-103.8141.4177.7-63.3-93.1000109.7L329 K330 A332 K355 V356 V358L329-Y334 HydrophobicContact CB-CE2 3.87Å; L329-Y334 HydrophobicContact CD1-CD1 4.36Å; L329-Y334 HydrophobicContact CD1-CD2 4.06Å; L329-Y334 HydrophobicContact CD1-CE1 4.28Å; L329-Y334 HydrophobicContact CD1-CE2 3.97Å; L329-Y334 HydrophobicContact CD1-CG 4.25Å; L329-Y334 HydrophobicContact CD2-CE1 3.99Å; L329-Y334 HydrophobicContact CG-CE2 4.36Å; K330-Y334 PolarHBondContact N-OH 3.44Å; K330-Y334 WeakPolarHBondContact O-CE2 3.4Å; K330-Y334 PolarHBondContact O-OH 2.92Å; A332-Y334 HydrophobicContact CB-CD2 4.38Å; A332-Y334 HydrophobicContact CB-CE2 3.76Å; Y334-K355 CarbonylContact O-C 3.58Å; Y334-K355 WeakPolarHBondContact O-CA 3.37Å; Y334-V356 PolarHBondContact N-O 3.45Å; Y334-V356 PolarHBondContact O-N 2.93Å; Y334-V358 HydrophobicContact CD2-CG2 3.67Å; Y334-V358 HydrophobicContact CE2-CB 4.29Å; Y334-V358 HydrophobicContact CE2-CG2 3.53Å
335Q90.7Very high89.5Confident120 Ų12052.7 Ų52.756%0.56128%0.279SS*.EExtended strand (participates in β ladder)trans-99.8116.6170-71.5172.6-61.500107.9P337 E353Q335-P337 WeakPolarHBondContact O-CD 3.4Å; Q335-E353 PolarHBondContact NE2-OE2 3.21Å
336L91.9Very high89.8Confident0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-102.3102.9175.9177.659.6000108.6L301 L307 W311 I323 L338 V354 V356L301-L336 HydrophobicContact CD2-CD1 3.81Å; L307-L336 HydrophobicContact CD1-CD1 3.91Å; L307-L336 HydrophobicContact CD2-CD1 3.88Å; L307-L336 HydrophobicContact CG-CD1 3.96Å; W311-L336 HydrophobicContact CB-CD1 4.16Å; W311-L336 HydrophobicContact CD2-CD1 4.12Å; W311-L336 HydrophobicContact CD2-CD2 4.09Å; W311-L336 HydrophobicContact CE3-CD2 4.12Å; W311-L336 HydrophobicContact CG-CD1 3.71Å; W311-L336 HydrophobicContact CG-CD2 4.34Å; I323-L336 HydrophobicContact CD1-CD2 4.08Å; I323-L336 HydrophobicContact CG2-CD2 3.65Å; L336-L338 HydrophobicContact CD1-CD2 4.43Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CG-CD2 3.91Å; L336-L338 HydrophobicContact CG-CG 4.29Å; L336-L338 PolarHBondContact O-N 2.99Å; L336-V354 HydrophobicContact CB-CB 4.48Å; L336-V354 PolarHBondContact N-O 3.34Å; L336-V354 PolarHBondContact O-N 3.06Å; L336-V356 HydrophobicContact CB-CG2 4.21Å
337P93.8Very high90.3Very high8 Ų857.4 Ų57.45%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-72.7129.2173.130.2-33.5000109.5G302 Q304 L307 Q335 T352G302-P337 PolarHBondContact N-O 3.42Å; Q304-P337 HydrophobicContact CG-CG 4Å; L307-P337 HydrophobicContact CD2-CG 3.97Å; Q335-P337 WeakPolarHBondContact O-CD 3.4Å; P337-T352 CarbonylContact C-O 3.59Å; P337-T352 WeakPolarHBondContact CA-O 3.4Å
338L94.7Very high91Very high0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-118.7131.5175.1-61.5-178.2000109V264 V283 I299 E300 L301 V313 I323 L336 S351 T352 V354V264-L338 HydrophobicContact CG1-CD1 4.41Å; V264-L338 HydrophobicContact CG2-CD1 4.32Å; V283-L338 HydrophobicContact CG2-CD1 4.36Å; I299-L338 HydrophobicContact CG2-CB 4.32Å; I299-L338 HydrophobicContact CG2-CD1 4.18Å; E300-L338 CarbonylContact O-C 3.53Å; E300-L338 VanDerWaalsContact O-CA 3.31Å; E300-L338 WeakPolarHBondContact O-CA 3.19Å; L301-L338 HydrophobicContact CD2-CD2 4.17Å; V313-L338 HydrophobicContact CG2-CD2 3.89Å; I323-L338 HydrophobicContact CD1-CD1 3.94Å; L336-L338 HydrophobicContact CD1-CD2 4.43Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CG-CD2 3.91Å; L336-L338 HydrophobicContact CG-CG 4.29Å; L336-L338 PolarHBondContact O-N 2.99Å; L338-S351 CarbonylContact O-C 3.45Å; L338-S351 WeakPolarHBondContact O-CA 3.26Å; L338-T352 PolarHBondContact N-O 2.88Å; L338-T352 PolarHBondContact O-N 3.23Å; L338-T352 PolarHBondContact O-OG1 3.31Å; L338-V354 HydrophobicContact CD1-CG2 3.61Å; L338-V354 HydrophobicContact CG-CG2 4.35Å
339L95.8Very high91.8Very high51 Ų5153.2 Ų53.227%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-90118.9168-177.566.5000107.6I299 E300I299-L339 CarbonylContact C-O 3.55Å; I299-L339 WeakPolarHBondContact CA-O 3.44Å; E300-L339 PolarHBondContact N-O 2.68Å; E300-L339 PolarHBondContact O-N 2.78Å
340I96.4Very high92.5Very high0 Ų055.1 Ų55.10%030%0.301CS..EExtended strand (participates in β ladder)trans-112.8134173.2-177168.1000109.2P262 V264 F297 K298 I299 S349 N350 T352P262-I340 HydrophobicContact CB-CD1 3.85Å; P262-I340 HydrophobicContact CB-CG1 3.88Å; P262-I340 HydrophobicContact CB-CG2 4.29Å; P262-I340 HydrophobicContact CG-CB 4.44Å; P262-I340 HydrophobicContact CG-CD1 4.36Å; P262-I340 HydrophobicContact CG-CG1 3.81Å; P262-I340 HydrophobicContact CG-CG2 4.15Å; P262-I340 VanDerWaalsContact O-CG2 3.25Å; P262-I340 WeakPolarHBondContact O-CG2 3.49Å; V264-I340 HydrophobicContact CG1-CB 4.22Å; V264-I340 HydrophobicContact CG1-CD1 3.84Å; V264-I340 HydrophobicContact CG1-CG2 4.38Å; F297-I340 HydrophobicContact CB-CD1 4Å; F297-I340 HydrophobicContact CB-CG1 4.14Å; F297-I340 HydrophobicContact CD1-CD1 4.21Å; F297-I340 HydrophobicContact CD1-CG1 4.44Å; F297-I340 HydrophobicContact CG-CD1 4.05Å; F297-I340 HydrophobicContact CG-CG1 4.49Å; K298-I340 CarbonylContact O-C 3.52Å; K298-I340 WeakPolarHBondContact O-CA 3.19Å; I299-I340 HydrophobicContact CD1-CD1 4.01Å; I299-I340 HydrophobicContact CG1-CB 4.28Å; I299-I340 HydrophobicContact CG1-CD1 3.83Å; I299-I340 HydrophobicContact CG1-CG1 3.84Å; I340-S349 CarbonylContact O-C 3.59Å; I340-S349 WeakPolarHBondContact O-CA 3.45Å; I340-N350 HydrophobicContact CG2-CB 4.41Å; I340-N350 PolarHBondContact N-O 3.05Å; I340-N350 PolarHBondContact O-N 3.25Å; I340-T352 HydrophobicContact CG2-CG2 4.25Å
341T96.8Very high93Very high21 Ų2150.3 Ų50.313%0.12929%0.29CS..EExtended strand (participates in β ladder)trans-126.6137178.5-53.60000109.3F297 K298 P347 L348 S349F297-T341 CarbonylContact C-O 3.57Å; F297-T341 WeakPolarHBondContact CA-O 3.31Å; K298-T341 PolarHBondContact N-O 2.99Å; K298-T341 PolarHBondContact O-N 3.24Å; T341-P347 HydrophobicContact CG2-CB 3.94Å; T341-L348 WeakPolarHBondContact CA-O 3.44Å; T341-S349 WeakPolarHBondContact CB-OG 3.34Å; T341-S349 WeakPolarHBondContact CG2-OG 3.39Å; T341-S349 PolarHBondContact OG1-OG 3.12Å
342D97Very high93.4Very high8 Ų846.7 Ų46.74%0.04328%0.276CS..  trans-81-173.5177.164.239.7000112.3N258 P262 N293 F297 G344 P347 L348N258-D342 PolarHBondContact ND2-OD1 3.13Å; N258-D342 PolarHBondContact ND2-OD2 2.91Å; N258-D342 VanDerWaalsContact ND2-OD2 3.08Å; N258-D342 PolarHBondContact OD1-OD2 2.93Å; P262-D342 HydrophobicContact CG-CB 3.92Å; N293-D342 WeakPolarHBondContact O-CB 3.41Å; F297-D342 HydrophobicContact CD1-CB 4.47Å; F297-D342 HydrophobicContact CE1-CB 4.44Å; D342-G344 PolarHBondContact OD1-N 2.7Å; D342-P347 WeakPolarHBondContact OD1-CA 3.47Å; D342-L348 VanDerWaalsContact CG-N 3.35Å; D342-L348 PolarHBondContact N-O 3.3Å; D342-L348 VanDerWaalsContact N-O 3.09Å; D342-L348 PolarHBondContact OD1-N 2.97Å; D342-L348 VanDerWaalsContact OD2-CA 3.28Å; D342-L348 WeakPolarHBondContact OD2-CA 3.29Å; D342-L348 WeakPolarHBondContact OD2-CB 3.35Å; D342-L348 PolarHBondContact OD2-N 3.04Å
343S95.1Very high93.7Very high45 Ų4549.6 Ų49.632%0.31528%0.283SS..SBendtrans-107.18.1174.560.50000114.6P292 A294 A295 P296P292-S343 PolarHBondContact O-OG 2.8Å; A294-S343 PolarHBondContact O-N 2.82Å; A294-S343 PolarHBondContact O-OG 2.67Å; A295-S343 PolarHBondContact O-OG 3.3Å; P296-S343 WeakPolarHBondContact CD-OG 3.44Å
344G93.1Very high93.9Very high4 Ų446 Ų464%0.04126%0.264CS..SBendtrans-69.5171.1179.900000113.1N258 N293 D342 P346 P347N258-G344 WeakPolarHBondContact ND2-CA 3.43Å; N293-G344 PolarHBondContact O-N 3.3Å; D342-G344 PolarHBondContact OD1-N 2.7Å; G344-P346 CarbonylContact C-O 3.53Å; G344-P346 CarbonylContact O-C 3.53Å; G344-P346 VanDerWaalsContact O-C 3.3Å; G344-P347 VanDerWaalsContact O-CA 3.22Å; G344-P347 WeakPolarHBondContact O-CA 3.25Å
345V90.8Very high94.1Very high124 Ų12448.4 Ų48.475%0.75228%0.275SS*.SBendtrans-129.1109.9-179.5-176.10000109.6
346P94.3Very high94.1Very high73 Ų7342.7 Ų42.747%0.47425%0.249SC..SBendcis-68.2151.3-4.431.1-35.4000112.2N258 G344N258-P346 PolarHBondContact ND2-O 2.74Å; G344-P346 CarbonylContact C-O 3.53Å; G344-P346 CarbonylContact O-C 3.53Å; G344-P346 VanDerWaalsContact O-C 3.3Å
347P95.8Very high94Very high78 Ų7844.3 Ų44.351%0.50626%0.256SS..PPolyproline II helixtrans-73.7136.9-179.628.9-34.2000110.9T341 D342 G344T341-P347 HydrophobicContact CG2-CB 3.94Å; D342-P347 WeakPolarHBondContact OD1-CA 3.47Å; G344-P347 VanDerWaalsContact O-CA 3.22Å; G344-P347 WeakPolarHBondContact O-CA 3.25Å
348L96.8Very high93.6Very high51 Ų5144 Ų4427%0.26725%0.254SS..PPolyproline II helixtrans-99.6149.4173.6-57.3175.5000110.3N258 A261 T341 D342N258-L348 PolarHBondContact ND2-N 3.25Å; N258-L348 WeakPolarHBondContact O-CD1 3.17Å; A261-L348 HydrophobicContact CB-CB 4Å; T341-L348 WeakPolarHBondContact CA-O 3.44Å; D342-L348 VanDerWaalsContact CG-N 3.35Å; D342-L348 PolarHBondContact N-O 3.3Å; D342-L348 VanDerWaalsContact N-O 3.09Å; D342-L348 PolarHBondContact OD1-N 2.97Å; D342-L348 VanDerWaalsContact OD2-CA 3.28Å; D342-L348 WeakPolarHBondContact OD2-CA 3.29Å; D342-L348 WeakPolarHBondContact OD2-CB 3.35Å; D342-L348 PolarHBondContact OD2-N 3.04Å
349S96.1Very high93.1Very high61 Ų6144 Ų4443%0.42725%0.254SS..EExtended strand (participates in β ladder)trans-137.8142.8-177.3-590000110.9I340 T341I340-S349 CarbonylContact O-C 3.59Å; I340-S349 WeakPolarHBondContact O-CA 3.45Å; T341-S349 WeakPolarHBondContact CB-OG 3.34Å; T341-S349 WeakPolarHBondContact CG2-OG 3.39Å; T341-S349 PolarHBondContact OG1-OG 3.12Å
350N95.3Very high92.5Very high67 Ų6744.4 Ų44.436%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-133.2144.9177.8-166.310000111.1A261 P262 I340A261-N350 HydrophobicContact CB-CB 3.95Å; P262-N350 WeakPolarHBondContact O-CB 3.35Å; I340-N350 HydrophobicContact CG2-CB 4.41Å; I340-N350 PolarHBondContact N-O 3.05Å; I340-N350 PolarHBondContact O-N 3.25Å
351S93.7Very high91.6Very high76 Ų7645.8 Ų45.853%0.53127%0.265SS..EExtended strand (participates in β ladder)trans-94.3109.9170.9-167.30000108.9L338L338-S351 CarbonylContact O-C 3.45Å; L338-S351 WeakPolarHBondContact O-CA 3.26Å
352T91.5Very high90.6Very high18 Ų1848.3 Ų48.311%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-107150.3179.153.70000111F263 V264 P337 L338 I340F263-T352 HydrophobicContact CB-CG2 3.78Å; V264-T352 VanDerWaalsContact CG2-OG1 3.23Å; V264-T352 WeakPolarHBondContact CG2-OG1 3.01Å; P337-T352 CarbonylContact C-O 3.59Å; P337-T352 WeakPolarHBondContact CA-O 3.4Å; L338-T352 PolarHBondContact N-O 2.88Å; L338-T352 PolarHBondContact O-N 3.23Å; L338-T352 PolarHBondContact O-OG1 3.31Å; I340-T352 HydrophobicContact CG2-CG2 4.25Å
353E91.1Very high89.1Confident98 Ų9858.3 Ų58.346%0.45832%0.324SS..EExtended strand (participates in β ladder)trans-110.2124.3177.9-68-174178.800111.2Q335Q335-E353 PolarHBondContact NE2-OE2 3.21Å
354V93.3Very high87.5Confident0 Ų062.2 Ų62.20%035%0.346CS..EExtended strand (participates in β ladder)trans-96.6118.6168.4-179.60000108.6V264 A269 V283 L336 L338 V356V264-V354 HydrophobicContact CG2-CG2 3.65Å; A269-V354 HydrophobicContact CB-CG1 4.1Å; V283-V354 HydrophobicContact CG1-CG2 4.31Å; L336-V354 HydrophobicContact CB-CB 4.48Å; L336-V354 PolarHBondContact N-O 3.34Å; L336-V354 PolarHBondContact O-N 3.06Å; L338-V354 HydrophobicContact CD1-CG2 3.61Å; L338-V354 HydrophobicContact CG-CG2 4.35Å; V354-V356 HydrophobicContact CG1-CG2 4.35Å; V354-V356 PolarHBondContact O-N 3.33Å
355K92.8Very high86.2Confident113 Ų11368 Ų6849%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-79.5107.4174.9-66.7179.7-177.6175.50109.3S267 V268 A269 Y334S267-K355 PolarHBondContact O-N 2.79Å; V268-K355 CarbonylContact C-O 3.56Å; V268-K355 WeakPolarHBondContact CA-O 3.33Å; V268-K355 HydrophobicContact CG2-CB 4.35Å; A269-K355 PolarHBondContact N-O 3.44Å; Y334-K355 CarbonylContact O-C 3.58Å; Y334-K355 WeakPolarHBondContact O-CA 3.37Å
356V89.9Confident85.6Confident0 Ų068.5 Ų68.50%036%0.358CS..EExtended strand (participates in β ladder)trans-93.2111.9176.4-170.30000109.6A269 V271 V280 W311 Y334 L336 V354A269-V356 HydrophobicContact CB-CG2 4.43Å; A269-V356 CarbonylContact O-C 3.57Å; A269-V356 WeakPolarHBondContact O-CA 3.11Å; V271-V356 HydrophobicContact CG1-CG1 3.8Å; V280-V356 HydrophobicContact CG1-CG1 3.89Å; W311-V356 HydrophobicContact CH2-CB 3.92Å; W311-V356 HydrophobicContact CH2-CG1 3.7Å; W311-V356 HydrophobicContact CH2-CG2 3.85Å; W311-V356 HydrophobicContact CZ2-CG2 4.41Å; W311-V356 HydrophobicContact CZ3-CG1 4.24Å; W311-V356 HydrophobicContact CZ3-CG2 4.2Å; Y334-V356 PolarHBondContact N-O 3.45Å; Y334-V356 PolarHBondContact O-N 2.93Å; L336-V356 HydrophobicContact CB-CG2 4.21Å; V354-V356 HydrophobicContact CG1-CG2 4.35Å; V354-V356 PolarHBondContact O-N 3.33Å
357Q89.2Confident84.8Confident34 Ų3470.7 Ų70.716%0.15936%0.358CS..EExtended strand (participates in β ladder)trans-92.4114.2175.1-59.6179.8-19.800108.9V268 A269 Q270 V271 C359V268-Q357 HydrophobicContact CG1-CG 4.3Å; A269-Q357 PolarHBondContact O-N 3.22Å; Q270-Q357 WeakPolarHBondContact CA-O 3.27Å; Q270-Q357 HydrophobicContact CG-CB 4.2Å; V271-Q357 PolarHBondContact N-O 2.69Å; Q357-C359 PolarHBondContact O-SG 2.82Å; Q357-C359 VanDerWaalsContact O-SG 3.4Å
358V86.9Confident83.8Confident1 Ų168.6 Ų68.61%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-86.5120.4173-177.30000108.3V271 E273 L329 K331 A332 Y334V271-V358 HydrophobicContact CG1-CB 4.41Å; V271-V358 HydrophobicContact CG1-CG2 3.78Å; V271-V358 CarbonylContact O-C 3.32Å; V271-V358 WeakPolarHBondContact O-CA 3.39Å; E273-V358 HydrophobicContact CB-CG1 3.78Å; L329-V358 HydrophobicContact CB-CG2 3.95Å; L329-V358 HydrophobicContact CD1-CG2 4.39Å; K331-V358 VanDerWaalsContact CG-O 3.26Å; K331-V358 WeakPolarHBondContact CG-O 3.42Å; A332-V358 PolarHBondContact O-N 2.82Å; Y334-V358 HydrophobicContact CD2-CG2 3.67Å; Y334-V358 HydrophobicContact CE2-CB 4.29Å; Y334-V358 HydrophobicContact CE2-CG2 3.53Å
359C84.1Confident82.2Confident0 Ų067.6 Ų67.60%034%0.342CS..EExtended strand (participates in β ladder)trans-114150-171.6-45.20000110.8V271 C272 E273 Q357 C361 R366 Y367 C368V271-C359 PolarHBondContact O-N 3.04Å; C272-C359 CarbonylContact C-O 3.54Å; C272-C359 WeakPolarHBondContact CA-O 3.47Å; E273-C359 PolarHBondContact N-O 3.48Å; Q357-C359 PolarHBondContact O-SG 2.82Å; Q357-C359 VanDerWaalsContact O-SG 3.4Å; C359-C361 PolarHBondContact O-N 2.96Å; C359-R366 HydrophobicContact CB-CG 4Å; C359-Y367 WeakPolarHBondContact CA-O 2.96Å; C359-C368 HydrophobicContact CB-CB 3.92Å; C359-C368 WeakPolarHBondContact CB-SG 3.34Å; C359-C368 WeakPolarHBondContact SG-CA 2.94Å; C359-C368 WeakPolarHBondContact SG-CB 3.45Å; C359-C368 CovalentContact SG-SG 2.02Å; C359-C368 PolarHBondContact SG-SG 3.13Å
360I82Confident80.2Confident61 Ų6170 Ų7031%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-80.7119.5167.4-54.8-178.5000106.8E273 K331 Y367E273-I360 WeakPolarHBondContact OE1-CG1 3.35Å; E273-I360 WeakPolarHBondContact OE1-CG2 3.13Å; K331-I360 HydrophobicContact CD-CD1 3.88Å; K331-I360 HydrophobicContact CD-CG1 3.8Å; K331-I360 HydrophobicContact CG-CG1 4.28Å; I360-Y367 PolarHBondContact N-O 2.91Å; I360-Y367 PolarHBondContact O-N 2.9Å
361C77.3Confident77.7Confident28 Ų2870 Ų7019%0.18937%0.368CS..EExtended strand (participates in β ladder)trans-106.3129.5-178.6-64.80000110.5C272 C359 R366C272-C361 WeakPolarHBondContact CA-SG 3.27Å; C272-C361 HydrophobicContact CB-CB 3.59Å; C272-C361 WeakPolarHBondContact CB-SG 3.45Å; C272-C361 WeakPolarHBondContact SG-CB 3.47Å; C272-C361 CovalentContact SG-SG 2.01Å; C272-C361 PolarHBondContact SG-SG 2.94Å; C359-C361 PolarHBondContact O-N 2.96Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å
362T75.9Confident75Confident74 Ų7474.9 Ų74.945%0.45438%0.382SS..EExtended strand (participates in β ladder)trans-109.5166.6165.369.30000108.8T364 K365 Y367T362-T364 PolarHBondContact O-N 2.87Å; T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 PolarHBondContact O-N 2.79Å; T362-K365 PolarHBondContact OG1-N 2.85Å; T362-K365 PolarHBondContact OG1-O 2.99Å; T362-Y367 HydrophobicContact CG2-CE2 4.27Å
363K67.1Low72.1Confident219 Ų21978.7 Ų78.795%0.95241%0.41SS*.THydrogen-bonded Turntrans-51.8-18.1-178.5-68.8-173.5178.9-177.90114.9
364T60.1Low69.4Low126 Ų12681.7 Ų81.777%0.77342%0.423SS*.THydrogen-bonded Turntrans-130.8-9.8-177.356.50000115.3T362T362-T364 PolarHBondContact O-N 2.87Å
365K67.3Low66.5Low126 Ų12692.7 Ų92.755%0.54847%0.465SS..EExtended strand (participates in β ladder)trans-145144.4-174.5-68-174.9177.4-179.20112.9T362 Y367T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 PolarHBondContact O-N 2.79Å; T362-K365 PolarHBondContact OG1-N 2.85Å; T362-K365 PolarHBondContact OG1-O 2.99Å; K365-Y367 HydrophobicContact CB-CE2 3.84Å; K365-Y367 VanDerWaalsContact CD-OH 3.31Å; K365-Y367 WeakPolarHBondContact CD-OH 2.92Å
366R76.3Confident63.8Low134 Ų13493.2 Ų93.251%0.50648%0.477SS..EExtended strand (participates in β ladder)trans-107.6121.8173.3-127.1-176.3-150.3164.16110.2Q270 C272 C359 C361Q270-R366 PolarHBondContact O-NH1 2.86Å; C272-R366 PolarHBondContact SG-NE 2.77Å; C359-R366 HydrophobicContact CB-CG 4Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å
367Y78.8Confident61.1Low120 Ų12097.6 Ų97.647%0.47151%0.508SS..EExtended strand (participates in β ladder)trans-109.986.7177.3-60.7-79.1000110.5K331 C359 I360 T362 K365K331-Y367 WeakPolarHBondContact CE-O 3.39Å; C359-Y367 WeakPolarHBondContact CA-O 2.96Å; I360-Y367 PolarHBondContact N-O 2.91Å; I360-Y367 PolarHBondContact O-N 2.9Å; T362-Y367 HydrophobicContact CG2-CE2 4.27Å; K365-Y367 HydrophobicContact CB-CE2 3.84Å; K365-Y367 VanDerWaalsContact CD-OH 3.31Å; K365-Y367 WeakPolarHBondContact CD-OH 2.92Å
368C74.6Confident58.6Low34 Ų34104.2 Ų104.223%0.2354%0.544CS..EExtended strand (participates in β ladder)trans-82.6148.2176.4-55.40000110.8C359 S370C359-C368 HydrophobicContact CB-CB 3.92Å; C359-C368 WeakPolarHBondContact CB-SG 3.34Å; C359-C368 WeakPolarHBondContact SG-CA 2.94Å; C359-C368 WeakPolarHBondContact SG-CB 3.45Å; C359-C368 CovalentContact SG-SG 2.02Å; C359-C368 PolarHBondContact SG-SG 3.13Å; C368-S370 PolarHBondContact O-N 2.84Å; C368-S370 VanDerWaalsContact O-N 3.08Å
369S63.1Low56.3Low30 Ų30109.9 Ų109.921%0.2158%0.578CS.*  trans-63.7107168.1270000109.6N333 A371N333-S369 PolarHBondContact OD1-OG 2.93Å; S369-A371 PolarHBondContact O-N 2.96Å
370S55Low54.2Low110 Ų110115.9 Ų115.977%0.76961%0.614SS**  trans-63.7115.3167.355.20000108.3C368C368-S370 PolarHBondContact O-N 2.84Å; C368-S370 VanDerWaalsContact O-N 3.08Å
371A41.5Very low52.1Low67 Ų67121.1 Ų121.155%0.55464%0.642SS**  trans-54.3141.7159.500000108.2S369 S373S369-A371 PolarHBondContact O-N 2.96Å; A371-S373 PolarHBondContact O-N 3.13Å
372H37.2Very low50.4Low180 Ų180127.9 Ų127.983%0.83368%0.675SS**  trans-43.2102.4173.8-88.1-3.6000110.8H374H372-H374 PolarHBondContact O-N 3.03Å
373S30.8Very low48.6Very low98 Ų98129.3 Ų129.369%0.68569%0.689SS**  trans-63.4109.8145168.90000103.8A371 R375A371-S373 PolarHBondContact O-N 3.13Å; S373-R375 PolarHBondContact O-N 2.83Å
374H34.3Very low47.4Very low160 Ų160125.6 Ų125.674%0.74168%0.684SS**  trans-53.599.8150.9-83.7-82.5000105H372 T376H372-H374 PolarHBondContact O-N 3.03Å; H374-T376 PolarHBondContact O-N 3.1Å
375R33.6Very low46.3Very low231 Ų231127.8 Ų127.887%0.87269%0.69SS**  trans-58.189.7153.8-100.6-177.7168.4-169.9-2.9104S373 S377S373-R375 PolarHBondContact O-N 2.83Å; R375-S377 PolarHBondContact O-N 3.04Å
376T35.3Very low44.9Very low124 Ų124129.6 Ų129.676%0.76171%0.705SS**  trans-57.8103.9151.636.30000104.6H374 L378H374-T376 PolarHBondContact O-N 3.1Å; T376-L378 PolarHBondContact O-N 3.15Å
377S33.3Very low42.9Very low92 Ų92131.6 Ų131.664%0.64373%0.725SS**  trans-54.9124.5176.2-159.20000107.3R375 V379R375-S377 PolarHBondContact O-N 3.04Å; S377-V379 PolarHBondContact O-N 3.24Å
378L36.7Very low41.1Very low173 Ų173132.7 Ų132.791%0.90674%0.744SS**THydrogen-bonded Turntrans-73.340-177.4-134.3125.9000111.6T376T376-L378 PolarHBondContact O-N 3.15Å
379V38.8Very low39.2Very low121 Ų121142.2 Ų142.273%0.73378%0.775SS**THydrogen-bonded Turntrans-128.17.9-173.8-1730000112.6S377S377-V379 PolarHBondContact O-N 3.24Å
380V39.9Very low37.8Very low125 Ų125148.9 Ų148.976%0.75881%0.807SS**  trans-131.366.2169.4-167.20000110.4
381L37.8Very low36.5Very low171 Ų171150.3 Ų150.390%0.89582%0.816SS**  trans-141.158.8166-102.9160.2000108
382L41.3Very low36.1Very low170 Ų170156.1 Ų156.189%0.8983%0.831SS**SBendtrans-162.568.2172.8-110.7144.5000108.7
383S39.3Very low35.8Very low105 Ų105158.3 Ų158.373%0.73483%0.834SS**SBendtrans-176.638.616144.30000114.8
384T41.3Very low35.7Very low140 Ų140158.8 Ų158.886%0.85984%0.837SS**SBendtrans-149.148163.655.70000112.3
385L36.8Very low35.9Very low172 Ų172162.9 Ų162.990%0.90185%0.846SS**SBendtrans-141.153.2172.3-116.5145.4000109.8
386L37.5Very low36Very low165 Ų165157.9 Ų157.986%0.86484%0.844SS**SBendtrans-164.380.5163.1-136.6103.4000108.7
387L34.2Very low36Very low176 Ų176156 Ų15692%0.92184%0.841SS**  trans-176.450.8160.2-100.2153.7000111.1
388V40.6Very low35.9Very low142 Ų142158.3 Ų158.386%0.86185%0.846SS**SBendtrans-141.687.5152.5-1780000106.6
389R35.8Very low35.7Very low235 Ų235156.7 Ų156.789%0.88784%0.837SS**SBendtrans-178.7134.8145.7-83.3-128.5176.2-179-2.5107.4
390L32.8Very low35.3Very low170 Ų170157.6 Ų157.689%0.8984%0.844SS**  trans94.878.6174.1-52.9163.9000115.7
391C28.8Very low34.8Very low139 Ų139158.6 Ų158.694%0.93984%0.844SS**  trans-154.472.5136.6-103.60000108.7
392E32.1Very low34.5Very low190 Ų190157.4 Ų157.489%0.88884%0.844SS**  trans-91.1153.1144.6-89-178.1149.900107.5
393Y30.2Very low33.9Very low226 Ų226154 Ų15489%0.88683%0.833SS**  trans9091.2175.2-115.1-94.4000117.8
394S30.3Very low33.2Very low108 Ų108159.9 Ų159.976%0.75584%0.839SS**  173.4122.7105.842.90000111.5
395R37.9Very low32.7Very low245 Ų245158.1 Ų158.193%0.92583%0.831SS**  trans-69.6154.3162.2-70179-178.4172.30.1109.2
396P35.8Very low32.4Very low126 Ų126165.2 Ų165.282%0.81885%0.846SS**  trans-123.6127135.125-9.1000110.8
397A35.9Very low32.2Very low85 Ų85165.3 Ų165.370%0.70285%0.845SS**  trans-79138.5153.100000108.1
398D30.7Very low32Very low141 Ų141164.7 Ų164.775%0.75484%0.841SS**  trans165.1109.4134.4-84.4-17.4000108.5
399L32.3Very low31.6Very low138 Ų138165.9 Ų165.972%0.72384%0.84SS**  62.295.991.6-90.7149.4000112.6L401L399-L401 HydrophobicContact CD2-CD1 3.71Å
400T29.8Very low31.3Very low141 Ų141161.9 Ų161.987%0.86584%0.838SS**  trans-138.7104.7142.7310000109.4
401L30.6Very low31.2Very low146 Ų146161.4 Ų161.476%0.76483%0.834SS**  trans-58.9133159-87.585.9000109.3L399L399-L401 HydrophobicContact CD2-CD1 3.71Å
402T31Very low31.4Very low146 Ų146162.9 Ų162.990%0.89683%0.827SS**  trans-113.5122.1151.537.30000109.3
403C27.7Very low31.3Very low98 Ų98160.9 Ų160.966%0.66282%0.823SS**  trans-84.7152.1-177-176.30000110.3
404W26.2Very low31.4Very low229 Ų229155.9 Ų155.987%0.86782%0.818SS**  170.4124.2115.4-99.361000113.8
405C28.7Very low31.5Very low102 Ų102159.9 Ų159.969%0.68982%0.823SS**  trans39.9120.2138-58.40000121.2
406R31.7Very low30.9Very low322 Ų322152.2 Ų152.2100%1.21581%0.814SS**  -162.9081.2-148.2178.7-158.5-174.65.4111.3

Retrieved 406 of 406 residues in 574.4 ms (Link to these results)