A0A087XG56_POEFO Loading...

Polycomb group RING finger protein 3

AlphaFold DB (M4AUY0), UniProt , Accession A0A087XG56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M36.3Very low48.7Very low248 Ų248144.3 Ų144.3100%1.22284%0.842SS**  0110.50-77.8172.4165.900107.1
2A32.5Very low51.7Low104 Ų104150.9 Ų150.986%0.8684%0.842SS**  trans-69.2140.2-168.300000111.8
3V39.6Very low54.5Low138 Ų138154.7 Ų154.784%0.83684%0.844SS**  trans-57.8133.4179.2177.30000110.5G5V3-G5 PolarHBondContact O-N 3.01Å
4L47.8Very low57Low172 Ų172150.9 Ų150.990%0.90182%0.822SS**  trans-57108.1170.3-67.3164.8000109N6L4-N6 PolarHBondContact O-N 2.82Å
5G39.9Very low59.4Low72 Ų72150.8 Ų150.874%0.74281%0.81SS**  trans-64.4119.9174.200000110.4V3V3-G5 PolarHBondContact O-N 3.01Å
6N47.1Very low61.4Low137 Ų137144.4 Ų144.473%0.73378%0.775SS**  trans-59.5125.4171.7-135.2-16.2000109.2L4 D8L4-N6 PolarHBondContact O-N 2.82Å; N6-D8 PolarHBondContact O-N 3.46Å
7P48.4Very low63.2Low120 Ų120140.7 Ų140.778%0.77976%0.762SS**  trans-83.255.9177.236.2-33.9000109.7M9P7-M9 PolarHBondContact O-N 2.85Å
8D52.8Low64.9Low135 Ų135140.1 Ų140.172%0.72275%0.753SS**  trans-72.888.5164-95.8-38.5000107.2N6 L10N6-D8 PolarHBondContact O-N 3.46Å; D8-L10 PolarHBondContact O-N 3.1Å; D8-L10 VanDerWaalsContact O-N 3.12Å
9M59.2Low66.4Low164 Ų164134.5 Ų134.581%0.80872%0.723SS**  trans-48.5120.5161.4-127.7-156.3166.600106.9P7 T11P7-M9 PolarHBondContact O-N 2.85Å; M9-T11 VanDerWaalsContact C-N 3.27Å; M9-T11 WeakPolarHBondContact O-CG2 3.49Å; M9-T11 PolarHBondContact O-N 3.07Å
10L61Low67.8Low179 Ų179130.1 Ų130.194%0.93770%0.699SS**  trans-56.287.5177.1-77.4153.6000110.2D8 R12D8-L10 PolarHBondContact O-N 3.1Å; D8-L10 VanDerWaalsContact O-N 3.12Å; L10-R12 PolarHBondContact O-N 2.99Å; L10-R12 VanDerWaalsContact O-N 3.09Å
11T71.3Confident69Low118 Ų118127.8 Ų127.872%0.72470%0.697SS**  trans-80.793.6-179.849.70000108.8M9 K13M9-T11 VanDerWaalsContact C-N 3.27Å; M9-T11 WeakPolarHBondContact O-CG2 3.49Å; M9-T11 PolarHBondContact O-N 3.07Å; T11-K13 PolarHBondContact O-N 3.37Å
12R84.8Confident71.8Confident224 Ų224122.6 Ų122.685%0.84567%0.67SS**  trans-75.5119.4174.2-174.4173.2170.4179.3-3.6109.6L10 I14L10-R12 PolarHBondContact O-N 2.99Å; L10-R12 VanDerWaalsContact O-N 3.09Å; R12-I14 HydrophobicContact CG-CG1 4.4Å
13K87.6Confident74.9Confident200 Ų200117.8 Ų117.887%0.8763%0.63SS**  trans-80.9130.5173-64.3-179.2-179178.40109.9T11T11-K13 PolarHBondContact O-N 3.37Å
14I89.9Confident77.7Confident102 Ų102112.8 Ų112.852%0.52360%0.6SS.*  trans-123.5135.1178.2-55.9175.4000108R12 I19R12-I14 HydrophobicContact CG-CG1 4.4Å; I14-I19 HydrophobicContact CB-CD1 4.36Å; I14-I19 HydrophobicContact CG2-CD1 3.85Å; I14-I19 HydrophobicContact CG2-CG1 4.08Å
15K92.5Very high80.1Confident149 Ų149104.7 Ų104.765%0.64856%0.557SS**  trans-70.6130.9174.4-67.3-175.5178.1-179.10109.6C17 H18K15-C17 PolarHBondContact O-N 3.01Å; K15-H18 WeakPolarHBondContact O-CB 3.47Å; K15-H18 PolarHBondContact O-N 3.22Å; K15-H18 VanDerWaalsContact O-N 3.07Å
16L91.1Very high82.7Confident49 Ų49110.3 Ų110.326%0.25756%0.556SS.*G310 helixtrans-59.9-33.8-176.9-167.961.3000112.6H18 I19 N20 I23 Y31 V90L16-H18 PolarHBondContact O-N 3.43Å; L16-H18 VanDerWaalsContact O-N 3.1Å; L16-I19 WeakPolarHBondContact O-CA 3.43Å; L16-I19 PolarHBondContact O-N 3Å; L16-N20 PolarHBondContact O-N 3.47Å; L16-N20 PolarHBondContact O-OD1 3.12Å; L16-I23 HydrophobicContact CD1-CD1 4.1Å; L16-Y31 VanDerWaalsContact CD2-OH 3.23Å; L16-Y31 WeakPolarHBondContact CD2-OH 3.46Å; L16-V90 HydrophobicContact CD1-CG2 4.27Å; L16-V90 HydrophobicContact CD2-CG1 4.27Å; L16-V90 HydrophobicContact CD2-CG2 4.5Å
17C92.8Very high85.2Confident81 Ų81106.9 Ų106.955%0.54754%0.537SS..G310 helixtrans-56.2-28.8176.5600000114.1K15 I19K15-C17 PolarHBondContact O-N 3.01Å; C17-I19 VanDerWaalsContact C-N 3.25Å; C17-I19 PolarHBondContact O-N 2.87Å
18H93.4Very high87.5Confident130 Ų130104.2 Ų104.260%0.60252%0.521SS*.G310 helixtrans-76.3-16177-61.1173.8000112.8K15 L16K15-H18 WeakPolarHBondContact O-CB 3.47Å; K15-H18 PolarHBondContact O-N 3.22Å; K15-H18 VanDerWaalsContact O-N 3.07Å; L16-H18 PolarHBondContact O-N 3.43Å; L16-H18 VanDerWaalsContact O-N 3.1Å
19I93.7Very high89.6Confident34 Ų34106 Ų10617%0.17453%0.525CS..THydrogen-bonded Turntrans-102.5-28-177.6-54.8169.5000110.7I14 L16 C17 A21 H22 I23 L89I14-I19 HydrophobicContact CB-CD1 4.36Å; I14-I19 HydrophobicContact CG2-CD1 3.85Å; I14-I19 HydrophobicContact CG2-CG1 4.08Å; L16-I19 WeakPolarHBondContact O-CA 3.43Å; L16-I19 PolarHBondContact O-N 3Å; C17-I19 VanDerWaalsContact C-N 3.25Å; C17-I19 PolarHBondContact O-N 2.87Å; I19-A21 PolarHBondContact O-N 3.49Å; I19-H22 WeakPolarHBondContact O-CB 3.49Å; I19-H22 PolarHBondContact O-N 3.42Å; I19-I23 HydrophobicContact CG2-CD1 3.98Å; I19-I23 HydrophobicContact CG2-CG1 4.21Å; I19-I23 HydrophobicContact CG2-CG2 4.06Å; I19-L89 HydrophobicContact CG2-CD1 4.07Å
20N94.8Very high91.4Very high46 Ų4699.6 Ų99.625%0.24650%0.502CS..G310 helixtrans-44.8-43.2-174.7-77.11.9000113.7L16 H22 I23 T24 Y31L16-N20 PolarHBondContact O-N 3.47Å; L16-N20 PolarHBondContact O-OD1 3.12Å; N20-H22 PolarHBondContact O-N 3.37Å; N20-I23 PolarHBondContact O-N 3.04Å; N20-T24 HydrophobicContact CB-CG2 4.16Å; N20-T24 WeakPolarHBondContact O-CB 3.2Å; N20-T24 WeakPolarHBondContact O-CG2 3.26Å; N20-T24 PolarHBondContact O-N 2.99Å; N20-T24 PolarHBondContact O-OG1 3.01Å; N20-Y31 WeakPolarHBondContact OD1-CE1 3.48Å; N20-Y31 PolarHBondContact OD1-OH 3.05Å
21A93.5Very high93.2Very high81 Ų8194.1 Ų94.167%0.66947%0.469SS*.G310 helixtrans-54.2-21.6178.400000114.8I19I19-A21 PolarHBondContact O-N 3.49Å
22H95Very high94.5Very high139 Ų13988.7 Ų88.764%0.64444%0.435SS*.G310 helixtrans-104.5-8.3-178.5-54.2-61.5000114.2I19 N20I19-H22 WeakPolarHBondContact O-CB 3.49Å; I19-H22 PolarHBondContact O-N 3.42Å; N20-H22 PolarHBondContact O-N 3.37Å
23I96.7Very high95.1Very high3 Ų379.5 Ų79.52%0.01540%0.402CS..THydrogen-bonded Turntrans-130.34.1-172.461.3168.6000113.7L16 I19 N20 Y31 L32 V86 V90L16-I23 HydrophobicContact CD1-CD1 4.1Å; I19-I23 HydrophobicContact CG2-CD1 3.98Å; I19-I23 HydrophobicContact CG2-CG1 4.21Å; I19-I23 HydrophobicContact CG2-CG2 4.06Å; N20-I23 PolarHBondContact O-N 3.04Å; I23-Y31 HydrophobicContact CD1-CD1 3.93Å; I23-Y31 HydrophobicContact CD1-CE1 3.77Å; I23-Y31 HydrophobicContact CG1-CD1 4.05Å; I23-Y31 HydrophobicContact CG1-CE1 4.14Å; I23-L32 WeakPolarHBondContact O-CG 3.44Å; I23-L32 PolarHBondContact O-N 3.05Å; I23-V86 HydrophobicContact CB-CG2 3.71Å; I23-V86 HydrophobicContact CG2-CG2 3.87Å; I23-V90 HydrophobicContact CD1-CG2 3.67Å
24T97.6Very high95.5Very high34 Ų3474 Ų7421%0.20938%0.382CS..BIsolated β-bridgetrans-104.8141.5176.356.80000111.7N20 G30 Y31N20-T24 HydrophobicContact CB-CG2 4.16Å; N20-T24 WeakPolarHBondContact O-CB 3.2Å; N20-T24 WeakPolarHBondContact O-CG2 3.26Å; N20-T24 PolarHBondContact O-N 2.99Å; N20-T24 PolarHBondContact O-OG1 3.01Å; T24-G30 CarbonylContact C-O 3.47Å; T24-G30 VanDerWaalsContact CA-O 3.23Å; T24-G30 WeakPolarHBondContact CA-O 3.42Å; T24-G30 WeakPolarHBondContact CB-O 3.23Å; T24-Y31 HydrophobicContact CG2-CD1 3.93Å; T24-Y31 HydrophobicContact CG2-CE1 4.11Å
25C98.4Very high95.8Very high1 Ų169.2 Ų69.21%0.00736%0.358CS..  trans-71.9131.2173.7-177.10000110.9L27 C28 E29 G30 L32 C46C25-L27 VanDerWaalsContact C-N 3.26Å; C25-L27 PolarHBondContact O-N 2.93Å; C25-L27 PolarHBondContact SG-N 2.9Å; C25-C28 VanDerWaalsContact CB-SG 3.55Å; C25-E29 VanDerWaalsContact O-CA 3.23Å; C25-E29 WeakPolarHBondContact O-CA 3.49Å; C25-E29 PolarHBondContact O-N 2.79Å; C25-G30 PolarHBondContact N-O 2.96Å; C25-L32 HydrophobicContact CB-CD2 3.91Å; C25-C46 VanDerWaalsContact CB-SG 3.51Å; C25-C46 PolarHBondContact SG-N 3.23Å; C25-C46 VanDerWaalsContact SG-N 3.39Å
26R96Very high96.1Very high190 Ų19062.3 Ų62.372%0.71733%0.329SS*.THydrogen-bonded Turntrans-75.6-10.9178.1-61.9-70.3-75.6166.6-3.3114.3F45R26-F45 HydrophobicContact CB-CE1 4.18Å
27L97.9Very high96.4Very high65 Ų6560.6 Ų60.634%0.3432%0.321SS..THydrogen-bonded Turntrans-92-38-179.9-72.6172.3000113.1C25 F45 C49 Y53 P61C25-L27 VanDerWaalsContact C-N 3.26Å; C25-L27 PolarHBondContact O-N 2.93Å; C25-L27 PolarHBondContact SG-N 2.9Å; L27-F45 HydrophobicContact CD1-CB 4.47Å; L27-F45 HydrophobicContact CD1-CD1 3.91Å; L27-F45 HydrophobicContact CD1-CG 4.33Å; L27-F45 HydrophobicContact CG-CD1 3.91Å; L27-F45 HydrophobicContact CG-CE1 4.3Å; L27-C49 HydrophobicContact CB-CB 3.82Å; L27-C49 HydrophobicContact CD1-CB 3.68Å; L27-C49 WeakPolarHBondContact CD1-O 3.32Å; L27-C49 HydrophobicContact CG-CB 4.42Å; L27-Y53 HydrophobicContact CD2-CD2 4.37Å; L27-P61 HydrophobicContact CD1-CG 4.03Å; L27-P61 HydrophobicContact CD2-CB 3.82Å; L27-P61 HydrophobicContact CD2-CG 4.08Å; L27-P61 HydrophobicContact CG-CB 4.27Å; L27-P61 HydrophobicContact CG-CG 4.29Å
28C97.9Very high96.6Very high65 Ų6556.8 Ų56.844%0.43929%0.294SS..THydrogen-bonded Turntrans-114.3-3.5-178.968.20000114.1C25 G30C25-C28 VanDerWaalsContact CB-SG 3.55Å; C28-G30 PolarHBondContact O-N 2.91Å
29E96.4Very high96.7Very high171 Ų17153.9 Ų53.980%0.79929%0.286SS*.SBendtrans60.62.1-178.5-54.1-17617200115.4C25C25-E29 VanDerWaalsContact O-CA 3.23Å; C25-E29 WeakPolarHBondContact O-CA 3.49Å; C25-E29 PolarHBondContact O-N 2.79Å
30G97.2Very high96.8Very high31 Ų3158 Ų5832%0.3231%0.305SS..SBendtrans-84.4175.4170.500000113.2T24 C25 C28T24-G30 CarbonylContact C-O 3.47Å; T24-G30 VanDerWaalsContact CA-O 3.23Å; T24-G30 WeakPolarHBondContact CA-O 3.42Å; T24-G30 WeakPolarHBondContact CB-O 3.23Å; C25-G30 PolarHBondContact N-O 2.96Å; C28-G30 PolarHBondContact O-N 2.91Å
31Y98.3Very high96.9Very high63 Ų6357.3 Ų57.325%0.24730%0.303CS..BIsolated β-bridgetrans-63.3151.6169.3-64-64.5000111.4L16 N20 I23 T24 I33 V90 L93L16-Y31 VanDerWaalsContact CD2-OH 3.23Å; L16-Y31 WeakPolarHBondContact CD2-OH 3.46Å; N20-Y31 WeakPolarHBondContact OD1-CE1 3.48Å; N20-Y31 PolarHBondContact OD1-OH 3.05Å; I23-Y31 HydrophobicContact CD1-CD1 3.93Å; I23-Y31 HydrophobicContact CD1-CE1 3.77Å; I23-Y31 HydrophobicContact CG1-CD1 4.05Å; I23-Y31 HydrophobicContact CG1-CE1 4.14Å; T24-Y31 HydrophobicContact CG2-CD1 3.93Å; T24-Y31 HydrophobicContact CG2-CE1 4.11Å; Y31-I33 PolarHBondContact O-N 3.12Å; Y31-V90 HydrophobicContact CD1-CG2 3.8Å; Y31-V90 HydrophobicContact CD2-CG1 3.98Å; Y31-V90 HydrophobicContact CD2-CG2 4.43Å; Y31-V90 HydrophobicContact CE1-CG1 4.49Å; Y31-V90 HydrophobicContact CE1-CG2 3.78Å; Y31-V90 HydrophobicContact CE2-CG1 3.7Å; Y31-V90 HydrophobicContact CE2-CG2 4.4Å; Y31-V90 HydrophobicContact CG-CG1 4.49Å; Y31-V90 HydrophobicContact CG-CG2 4.15Å; Y31-L93 HydrophobicContact CD2-CD1 4.08Å; Y31-L93 HydrophobicContact CD2-CD2 4.23Å; Y31-L93 HydrophobicContact CG-CD2 4.05Å
32L98.4Very high97Very high4 Ų459.6 Ų59.62%0.02130%0.303CS..  trans-62.8122177.1-64.1164.8000110.7I23 C25 A35 T44 F45 Q83 V86I23-L32 WeakPolarHBondContact O-CG 3.44Å; I23-L32 PolarHBondContact O-N 3.05Å; C25-L32 HydrophobicContact CB-CD2 3.91Å; L32-A35 HydrophobicContact CB-CB 4.13Å; L32-A35 HydrophobicContact CD1-CB 4.43Å; L32-T44 HydrophobicContact CD1-CG2 3.91Å; L32-T44 HydrophobicContact CD2-CG2 4.18Å; L32-F45 VanDerWaalsContact CD2-C 3.4Å; L32-Q83 PolarHBondContact O-NE2 3.09Å; L32-Q83 PolarHBondContact O-OE1 3.4Å; L32-V86 HydrophobicContact CB-CG2 4.1Å; L32-V86 HydrophobicContact CD1-CG2 4.1Å
33I97.9Very high97.2Very high31 Ų3156 Ų5616%0.15929%0.287CS..SBendtrans-117.6128.4169.8-58.2-59000107.3Y31 C46 R47 Y87 L93 E97Y31-I33 PolarHBondContact O-N 3.12Å; I33-C46 PolarHBondContact N-SG 2.7Å; I33-C46 VanDerWaalsContact N-SG 3.36Å; I33-C46 WeakPolarHBondContact O-CA 3.23Å; I33-C46 VanDerWaalsContact O-CB 3.23Å; I33-C46 WeakPolarHBondContact O-CB 3.41Å; I33-R47 PolarHBondContact O-N 3.36Å; I33-Y87 HydrophobicContact CD1-CE1 4.08Å; I33-L93 HydrophobicContact CD1-CD1 4.24Å; I33-L93 HydrophobicContact CD1-CD2 4.46Å; I33-L93 HydrophobicContact CD1-CG 4.31Å; I33-E97 HydrophobicContact CD1-CB 4.37Å; I33-E97 HydrophobicContact CD1-CG 4.13Å; I33-E97 HydrophobicContact CG2-CG 3.92Å
34D95.6Very high97.3Very high84 Ų8457.3 Ų57.345%0.44930%0.295SS..SBendtrans45.163.1-166.3-64.1-27.5000111.3T36 R47D34-T36 PolarHBondContact O-N 3.3Å; D34-T36 VanDerWaalsContact O-N 3.15Å; D34-T36 PolarHBondContact O-OG1 2.84Å; D34-R47 HydrophobicContact CB-CB 3.69Å; D34-R47 VanDerWaalsContact O-CB 3.3Å; D34-R47 WeakPolarHBondContact O-CB 3.31Å; D34-R47 PolarHBondContact O-N 3.41Å
35A97.8Very high97.3Very high2 Ų255.7 Ų55.72%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-49.7122.2-178.900000109.9L32 T44 F45 D79 M82 Q83L32-A35 HydrophobicContact CB-CB 4.13Å; L32-A35 HydrophobicContact CD1-CB 4.43Å; A35-T44 HydrophobicContact CB-CG2 3.79Å; A35-F45 CarbonylContact C-O 3.58Å; A35-F45 WeakPolarHBondContact CA-O 3.3Å; A35-D79 HydrophobicContact CB-CB 4.36Å; A35-D79 PolarHBondContact O-N 3.17Å; A35-M82 HydrophobicContact CB-CB 4.19Å; A35-Q83 HydrophobicContact CB-CB 4.02Å
36T97.4Very high97.3Very high4 Ų455.9 Ų55.93%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-126.9125-179.4-65.30000108.5D34 T44 F45 R47 L50 I76 G77D34-T36 PolarHBondContact O-N 3.3Å; D34-T36 VanDerWaalsContact O-N 3.15Å; D34-T36 PolarHBondContact O-OG1 2.84Å; T36-T44 WeakPolarHBondContact O-CA 3.17Å; T36-F45 PolarHBondContact N-O 3.03Å; T36-F45 PolarHBondContact O-N 3.37Å; T36-R47 WeakPolarHBondContact OG1-CA 3.23Å; T36-R47 WeakPolarHBondContact OG1-CB 3.38Å; T36-L50 HydrophobicContact CG2-CD2 3.91Å; T36-I76 HydrophobicContact CG2-CB 3.87Å; T36-I76 HydrophobicContact CG2-CD1 4Å; T36-I76 HydrophobicContact CG2-CG1 4.05Å; T36-G77 CarbonylContact C-O 3.57Å; T36-G77 WeakPolarHBondContact CA-O 3.43Å
37T97.8Very high97.4Very high14 Ų1452.4 Ų52.49%0.08627%0.273CS..EExtended strand (participates in β ladder)trans-109.3136.2-173.8-64.80000110.2L42 H43 T44 I76 G77 D79T37-L42 HydrophobicContact CG2-CB 4.31Å; T37-L42 HydrophobicContact CG2-CD2 4.14Å; T37-H43 WeakPolarHBondContact CA-O 3.49Å; T37-T44 WeakPolarHBondContact OG1-CB 3.45Å; T37-T44 WeakPolarHBondContact OG1-CG2 3.28Å; T37-T44 PolarHBondContact OG1-OG1 3.4Å; T37-I76 WeakPolarHBondContact O-CA 3.45Å; T37-G77 PolarHBondContact N-O 3.27Å; T37-G77 PolarHBondContact O-N 2.83Å; T37-D79 VanDerWaalsContact OG1-CB 3.27Å; T37-D79 WeakPolarHBondContact OG1-CB 3.36Å; T37-D79 PolarHBondContact OG1-OD2 3.18Å
38V97.6Very high97.4Very high0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-73.5127.4170.6179.10000109.1E40 L42 H43 F45 L50 I67 I76V38-E40 PolarHBondContact O-N 3.3Å; V38-L42 VanDerWaalsContact O-CA 3.31Å; V38-L42 WeakPolarHBondContact O-CA 3.23Å; V38-L42 PolarHBondContact O-N 3.24Å; V38-H43 PolarHBondContact N-O 3.01Å; V38-F45 HydrophobicContact CG2-CE2 4.24Å; V38-L50 HydrophobicContact CG2-CD2 4.07Å; V38-I67 HydrophobicContact CG1-CB 4.45Å; V38-I67 HydrophobicContact CG1-CD1 3.87Å; V38-I67 HydrophobicContact CG1-CG1 3.74Å; V38-I67 HydrophobicContact CG1-CG2 4.14Å; V38-I67 HydrophobicContact CG2-CD1 3.78Å; V38-I76 HydrophobicContact CG2-CG2 4.19Å
39T95.3Very high97.4Very high69 Ų6951.7 Ų51.742%0.42327%0.274SS..THydrogen-bonded Turntrans-63.1-41.3-172.855.20000113.1Y75T39-Y75 WeakPolarHBondContact CG2-O 3.19Å; T39-Y75 PolarHBondContact N-O 3.31Å; T39-Y75 PolarHBondContact OG1-O 2.9Å; T39-Y75 VanDerWaalsContact OG1-O 3.1Å
40E95.1Very high97.5Very high122 Ų12243.6 Ų43.657%0.5724%0.236SC*.THydrogen-bonded Turntrans-72.4-34.9-172.7-64-54.2114.700113.7V38V38-E40 PolarHBondContact O-N 3.3Å
41C97Very high97.5Very high31 Ų3143.9 Ų43.921%0.20923%0.232CC..THydrogen-bonded Turntrans-122.2-3.1-172.171.30000114.8H43 C63 I65C41-H43 PolarHBondContact O-N 3.11Å; C41-H43 VanDerWaalsContact O-N 3.11Å; C41-H43 PolarHBondContact SG-ND1 3.05Å; C41-C63 VanDerWaalsContact SG-SG 3.67Å; C41-I65 HydrophobicContact CB-CG2 4.04Å
42L96.9Very high97.5Very high129 Ų12948.1 Ų48.168%0.67525%0.251SS*.  trans56.523.8178.7-54-179.5000115.4T37 V38T37-L42 HydrophobicContact CG2-CB 4.31Å; T37-L42 HydrophobicContact CG2-CD2 4.14Å; V38-L42 VanDerWaalsContact O-CA 3.31Å; V38-L42 WeakPolarHBondContact O-CA 3.23Å; V38-L42 PolarHBondContact O-N 3.24Å
43H98.1Very high97.5Very high64 Ų6449.9 Ų49.930%0.29626%0.258SS..  trans-80.5134.8169.6-71.1116.6000109.8T37 V38 C41 F45 C63T37-H43 WeakPolarHBondContact CA-O 3.49Å; V38-H43 PolarHBondContact N-O 3.01Å; C41-H43 PolarHBondContact O-N 3.11Å; C41-H43 VanDerWaalsContact O-N 3.11Å; C41-H43 PolarHBondContact SG-ND1 3.05Å; H43-F45 HydrophobicContact CB-CE2 3.73Å; H43-F45 HydrophobicContact CB-CZ 3.96Å; H43-C63 PolarHBondContact ND1-SG 3.39Å; H43-C63 VanDerWaalsContact ND1-SG 3.42Å
44T98.3Very high97.4Very high30 Ų3048.9 Ų48.918%0.18425%0.253CS..EExtended strand (participates in β ladder)trans-113.1139.4-173.3-47.50000111.5L32 A35 T36 T37L32-T44 HydrophobicContact CD1-CG2 3.91Å; L32-T44 HydrophobicContact CD2-CG2 4.18Å; A35-T44 HydrophobicContact CB-CG2 3.79Å; T36-T44 WeakPolarHBondContact O-CA 3.17Å; T37-T44 WeakPolarHBondContact OG1-CB 3.45Å; T37-T44 WeakPolarHBondContact OG1-CG2 3.28Å; T37-T44 PolarHBondContact OG1-OG1 3.4Å
45F98.6Very high97.5Very high0 Ų051.6 Ų51.60%026%0.263CS..EExtended strand (participates in β ladder)trans-141170.2-178.3-54.2-88.4000109.9R26 L27 L32 A35 T36 V38 H43 L50 P61 T62R26-F45 HydrophobicContact CB-CE1 4.18Å; L27-F45 HydrophobicContact CD1-CB 4.47Å; L27-F45 HydrophobicContact CD1-CD1 3.91Å; L27-F45 HydrophobicContact CD1-CG 4.33Å; L27-F45 HydrophobicContact CG-CD1 3.91Å; L27-F45 HydrophobicContact CG-CE1 4.3Å; L32-F45 VanDerWaalsContact CD2-C 3.4Å; A35-F45 CarbonylContact C-O 3.58Å; A35-F45 WeakPolarHBondContact CA-O 3.3Å; T36-F45 PolarHBondContact N-O 3.03Å; T36-F45 PolarHBondContact O-N 3.37Å; V38-F45 HydrophobicContact CG2-CE2 4.24Å; H43-F45 HydrophobicContact CB-CE2 3.73Å; H43-F45 HydrophobicContact CB-CZ 3.96Å; F45-L50 HydrophobicContact CB-CB 3.96Å; F45-L50 HydrophobicContact CD2-CD1 3.89Å; F45-L50 HydrophobicContact CD2-CD2 3.96Å; F45-L50 HydrophobicContact CD2-CG 4.35Å; F45-L50 HydrophobicContact CE2-CD1 4.25Å; F45-L50 HydrophobicContact CG-CB 4.46Å; F45-L50 HydrophobicContact CG-CD1 4.37Å; F45-P61 HydrophobicContact CD1-CG 4.46Å; F45-P61 HydrophobicContact CE1-CB 3.79Å; F45-P61 HydrophobicContact CE1-CG 3.87Å; F45-P61 HydrophobicContact CE2-CG 4.27Å; F45-P61 HydrophobicContact CZ-CB 3.88Å; F45-P61 HydrophobicContact CZ-CG 3.76Å; F45-T62 WeakPolarHBondContact CE1-OG1 3.27Å; F45-T62 VanDerWaalsContact CZ-OG1 3.26Å; F45-T62 WeakPolarHBondContact CZ-OG1 3.45Å
46C98.6Very high97.4Very high4 Ų459.9 Ų59.93%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-66.5143.8165.5-53.50000109.8C25 I33 S48 C49 L50C25-C46 VanDerWaalsContact CB-SG 3.51Å; C25-C46 PolarHBondContact SG-N 3.23Å; C25-C46 VanDerWaalsContact SG-N 3.39Å; I33-C46 PolarHBondContact N-SG 2.7Å; I33-C46 VanDerWaalsContact N-SG 3.36Å; I33-C46 WeakPolarHBondContact O-CA 3.23Å; I33-C46 VanDerWaalsContact O-CB 3.23Å; I33-C46 WeakPolarHBondContact O-CB 3.41Å; C46-S48 PolarHBondContact O-N 2.76Å; C46-C49 HydrophobicContact CB-CB 4.1Å; C46-C49 PolarHBondContact O-N 3.39Å; C46-L50 PolarHBondContact O-N 2.91Å
47R97.4Very high97.3Very high118 Ų11862.4 Ų62.445%0.44532%0.315SS..Hα-helixtrans-53.5-52.9178.2-176.3-180-168.8-85.4-1.3112.2I33 D34 T36 C49 L50 V51 H78I33-R47 PolarHBondContact O-N 3.36Å; D34-R47 HydrophobicContact CB-CB 3.69Å; D34-R47 VanDerWaalsContact O-CB 3.3Å; D34-R47 WeakPolarHBondContact O-CB 3.31Å; D34-R47 PolarHBondContact O-N 3.41Å; T36-R47 WeakPolarHBondContact OG1-CA 3.23Å; T36-R47 WeakPolarHBondContact OG1-CB 3.38Å; R47-C49 VanDerWaalsContact C-N 3.27Å; R47-C49 PolarHBondContact O-N 2.79Å; R47-L50 PolarHBondContact O-N 3.33Å; R47-V51 HydrophobicContact CG-CG2 4.15Å; R47-V51 WeakPolarHBondContact O-CB 3.41Å; R47-V51 VanDerWaalsContact O-CG2 3.24Å; R47-V51 WeakPolarHBondContact O-CG2 3.45Å; R47-V51 PolarHBondContact O-N 3.36Å; R47-H78 WeakPolarHBondContact CD-CE1 3.27Å; R47-H78 PolarHBondContact NE-CE1 2.82Å; R47-H78 VanDerWaalsContact NE-CE1 3.34Å
48S97.3Very high97.3Very high88 Ų8864.6 Ų64.662%0.61533%0.326SS*.Hα-helixtrans-59.9-38.5-17955.50000112.2C46 K52C46-S48 PolarHBondContact O-N 2.76Å; S48-K52 WeakPolarHBondContact O-CB 3.44Å; S48-K52 PolarHBondContact O-N 3.34Å; S48-K52 VanDerWaalsContact O-N 3.16Å
49C98.6Very high97.3Very high27 Ų2765.9 Ų65.918%0.18233%0.333CS..Hα-helixtrans-67.2-49.3177.9-61.50000112.2L27 C46 R47 Y53L27-C49 HydrophobicContact CB-CB 3.82Å; L27-C49 HydrophobicContact CD1-CB 3.68Å; L27-C49 WeakPolarHBondContact CD1-O 3.32Å; L27-C49 HydrophobicContact CG-CB 4.42Å; C46-C49 HydrophobicContact CB-CB 4.1Å; C46-C49 PolarHBondContact O-N 3.39Å; R47-C49 VanDerWaalsContact C-N 3.27Å; R47-C49 PolarHBondContact O-N 2.79Å; C49-Y53 WeakPolarHBondContact O-CB 3.16Å; C49-Y53 PolarHBondContact O-N 3.38Å
50L98.1Very high97.5Very high0 Ų062.6 Ų62.60%031%0.313CS..Hα-helixtrans-69.8-43-176.9-175.760.4000111.8T36 V38 F45 C46 R47 K52 Y53 L54 P61 I76T36-L50 HydrophobicContact CG2-CD2 3.91Å; V38-L50 HydrophobicContact CG2-CD2 4.07Å; F45-L50 HydrophobicContact CB-CB 3.96Å; F45-L50 HydrophobicContact CD2-CD1 3.89Å; F45-L50 HydrophobicContact CD2-CD2 3.96Å; F45-L50 HydrophobicContact CD2-CG 4.35Å; F45-L50 HydrophobicContact CE2-CD1 4.25Å; F45-L50 HydrophobicContact CG-CB 4.46Å; F45-L50 HydrophobicContact CG-CD1 4.37Å; C46-L50 PolarHBondContact O-N 2.91Å; R47-L50 PolarHBondContact O-N 3.33Å; L50-K52 PolarHBondContact O-N 2.97Å; L50-Y53 PolarHBondContact O-N 3.28Å; L50-L54 HydrophobicContact CD1-CD1 4.04Å; L50-L54 HydrophobicContact CD1-CG 4.14Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.38Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.26Å; L50-P61 HydrophobicContact CD1-CG 4.02Å; L50-I76 HydrophobicContact CD2-CB 4.16Å; L50-I76 HydrophobicContact CD2-CD1 4.12Å; L50-I76 HydrophobicContact CD2-CG2 3.8Å; L50-I76 HydrophobicContact CG-CD1 4.36Å
51V97.6Very high97.6Very high38 Ų3857.6 Ų57.623%0.2329%0.292CS..Hα-helixtrans-59.4-48.8177.6171.70000110.1R47 Y53 L54 E55 L73 I76R47-V51 HydrophobicContact CG-CG2 4.15Å; R47-V51 WeakPolarHBondContact O-CB 3.41Å; R47-V51 VanDerWaalsContact O-CG2 3.24Å; R47-V51 WeakPolarHBondContact O-CG2 3.45Å; R47-V51 PolarHBondContact O-N 3.36Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.24Å; V51-L54 PolarHBondContact O-N 3.37Å; V51-L54 VanDerWaalsContact O-N 3.11Å; V51-E55 PolarHBondContact O-N 3.43Å; V51-L73 HydrophobicContact CB-CD2 4.45Å; V51-L73 HydrophobicContact CG1-CD2 4.24Å; V51-L73 HydrophobicContact CG2-CD2 4.21Å; V51-I76 HydrophobicContact CG2-CD1 4.21Å
52K98Very high97.6Very high151 Ų15159 Ų5966%0.65730%0.3SS*.Hα-helixtrans-58.4-42.4176.2-175.4178-178.91790112.5S48 L50 L54 E55S48-K52 WeakPolarHBondContact O-CB 3.44Å; S48-K52 PolarHBondContact O-N 3.34Å; S48-K52 VanDerWaalsContact O-N 3.16Å; L50-K52 PolarHBondContact O-N 2.97Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 2.96Å; K52-E55 WeakPolarHBondContact O-CB 3.37Å; K52-E55 PolarHBondContact O-N 2.98Å
53Y98.1Very high97.6Very high41 Ų4155.6 Ų55.616%0.16129%0.286CS..Hα-helixtrans-62.3-38.3177.4178.3-95.5000112.3L27 C49 L50 V51 E55 E56 N57 T59 P61 R64L27-Y53 HydrophobicContact CD2-CD2 4.37Å; C49-Y53 WeakPolarHBondContact O-CB 3.16Å; C49-Y53 PolarHBondContact O-N 3.38Å; L50-Y53 PolarHBondContact O-N 3.28Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.24Å; Y53-E55 VanDerWaalsContact C-N 3.26Å; Y53-E55 PolarHBondContact O-N 3.03Å; Y53-E56 PolarHBondContact O-N 3.27Å; Y53-N57 HydrophobicContact CD1-CB 3.93Å; Y53-N57 HydrophobicContact CE1-CB 3.35Å; Y53-N57 HydrophobicContact CE2-CB 4.18Å; Y53-N57 VanDerWaalsContact CZ-CB 3.48Å; Y53-N57 WeakPolarHBondContact O-CB 3.44Å; Y53-N57 PolarHBondContact O-N 2.91Å; Y53-N57 PolarHBondContact O-ND2 3.02Å; Y53-N57 VanDerWaalsContact OH-CG 3.31Å; Y53-N57 PolarHBondContact OH-OD1 3.07Å; Y53-N57 VanDerWaalsContact OH-OD1 3.05Å; Y53-T59 VanDerWaalsContact CE1-O 3.28Å; Y53-T59 WeakPolarHBondContact CE1-O 3.5Å; Y53-P61 HydrophobicContact CD1-CG 3.62Å; Y53-P61 HydrophobicContact CE1-CB 4.44Å; Y53-P61 HydrophobicContact CE1-CG 3.77Å; Y53-P61 HydrophobicContact CG-CG 4.01Å; Y53-R64 PolarHBondContact OH-NH1 3.05Å
54L97.3Very high97.6Very high11 Ų1160 Ų606%0.05830%0.299CS..Hα-helixtrans-79.1-3.7-177.3-65175.4000114.4L50 V51 K52 E56 N57 I67 P72 L73 I76L50-L54 HydrophobicContact CD1-CD1 4.04Å; L50-L54 HydrophobicContact CD1-CG 4.14Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.38Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.26Å; V51-L54 PolarHBondContact O-N 3.37Å; V51-L54 VanDerWaalsContact O-N 3.11Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 2.96Å; L54-E56 VanDerWaalsContact C-N 3.25Å; L54-N57 CarbonylContact C-O 3.51Å; L54-N57 VanDerWaalsContact CA-O 3.23Å; L54-N57 WeakPolarHBondContact CA-O 3.43Å; L54-N57 VanDerWaalsContact CD2-O 3.3Å; L54-N57 WeakPolarHBondContact CD2-O 3.48Å; L54-I67 HydrophobicContact CD1-CD1 4.15Å; L54-I67 HydrophobicContact CD2-CD1 3.73Å; L54-P72 HydrophobicContact CB-CG 4.4Å; L54-P72 HydrophobicContact CD1-CB 4.25Å; L54-P72 HydrophobicContact CD2-CB 4.13Å; L54-L73 HydrophobicContact CB-CD2 4.06Å; L54-L73 HydrophobicContact CD1-CD2 4.13Å; L54-I76 HydrophobicContact CD1-CD1 4.02Å; L54-I76 HydrophobicContact CD1-CG2 3.96Å
55E95.9Very high97.5Very high141 Ų14162.6 Ų62.666%0.65931%0.311SS*.THydrogen-bonded Turntrans-64.5-33.8168.5-68.9170.6-179.700111.3V51 K52 Y53V51-E55 PolarHBondContact O-N 3.43Å; K52-E55 WeakPolarHBondContact O-CB 3.37Å; K52-E55 PolarHBondContact O-N 2.98Å; Y53-E55 VanDerWaalsContact C-N 3.26Å; Y53-E55 PolarHBondContact O-N 3.03Å
56E96.2Very high97.5Very high175 Ų17566.2 Ų66.282%0.81833%0.333SS*.THydrogen-bonded Turntrans-115.7-8.3-176.2-63.2179177.400113.4Y53 L54Y53-E56 PolarHBondContact O-N 3.27Å; L54-E56 VanDerWaalsContact C-N 3.25Å
57N96.8Very high97.4Very high58 Ų5866.3 Ų66.331%0.3133%0.334SS..  trans-135.8153.3-173.1-61.1-100.4000111Y53 L54Y53-N57 HydrophobicContact CD1-CB 3.93Å; Y53-N57 HydrophobicContact CE1-CB 3.35Å; Y53-N57 HydrophobicContact CE2-CB 4.18Å; Y53-N57 VanDerWaalsContact CZ-CB 3.48Å; Y53-N57 WeakPolarHBondContact O-CB 3.44Å; Y53-N57 PolarHBondContact O-N 2.91Å; Y53-N57 PolarHBondContact O-ND2 3.02Å; Y53-N57 VanDerWaalsContact OH-CG 3.31Å; Y53-N57 PolarHBondContact OH-OD1 3.07Å; Y53-N57 VanDerWaalsContact OH-OD1 3.05Å; L54-N57 CarbonylContact C-O 3.51Å; L54-N57 VanDerWaalsContact CA-O 3.23Å; L54-N57 WeakPolarHBondContact CA-O 3.43Å; L54-N57 VanDerWaalsContact CD2-O 3.3Å; L54-N57 WeakPolarHBondContact CD2-O 3.48Å
58N96.9Very high97.3Very high59 Ų5963.1 Ų63.132%0.31632%0.324SS..  trans-121.917.4175.168.4-6.7000113.2I67 H68 Q69 P72N58-I67 PolarHBondContact O-N 3.44Å; N58-H68 WeakPolarHBondContact CB-O 3.42Å; N58-Q69 PolarHBondContact ND2-O 2.96Å; N58-P72 HydrophobicContact CB-CB 4.49Å; N58-P72 HydrophobicContact CB-CG 4.33Å
59T98.1Very high97.1Very high27 Ų2766.7 Ų66.717%0.16633%0.331CS..BIsolated β-bridgetrans-113.6161.9-179.561.70000112Y53 R64 I65 V66Y53-T59 VanDerWaalsContact CE1-O 3.28Å; Y53-T59 WeakPolarHBondContact CE1-O 3.5Å; T59-R64 WeakPolarHBondContact CG2-O 3.2Å; T59-I65 CarbonylContact C-O 3.43Å; T59-I65 WeakPolarHBondContact CA-O 3.21Å; T59-I65 WeakPolarHBondContact CB-O 3.31Å; T59-V66 HydrophobicContact CG2-CG2 4.11Å
60C98.1Very high96.8Very high0 Ų069.5 Ų69.50%035%0.351CS..  trans-70.6131.2171.7178.20000110.5T62 C63 R64 I65C60-T62 PolarHBondContact O-N 3.3Å; C60-T62 VanDerWaalsContact O-N 3.12Å; C60-T62 PolarHBondContact SG-N 3.1Å; C60-C63 VanDerWaalsContact CB-SG 3.58Å; C60-C63 VanDerWaalsContact SG-SG 3.66Å; C60-R64 WeakPolarHBondContact O-CA 3.23Å; C60-R64 PolarHBondContact O-N 3.1Å; C60-I65 HydrophobicContact CB-CG2 4.06Å; C60-I65 PolarHBondContact N-O 3.09Å
61P97.8Very high96.5Very high18 Ų1874.1 Ų74.112%0.11737%0.372CS..THydrogen-bonded Turntrans-58.3-27.2177.1-23.128.8000114.9L27 F45 L50 Y53L27-P61 HydrophobicContact CD1-CG 4.03Å; L27-P61 HydrophobicContact CD2-CB 3.82Å; L27-P61 HydrophobicContact CD2-CG 4.08Å; L27-P61 HydrophobicContact CG-CB 4.27Å; L27-P61 HydrophobicContact CG-CG 4.29Å; F45-P61 HydrophobicContact CD1-CG 4.46Å; F45-P61 HydrophobicContact CE1-CB 3.79Å; F45-P61 HydrophobicContact CE1-CG 3.87Å; F45-P61 HydrophobicContact CE2-CG 4.27Å; F45-P61 HydrophobicContact CZ-CB 3.88Å; F45-P61 HydrophobicContact CZ-CG 3.76Å; L50-P61 HydrophobicContact CD1-CG 4.02Å; Y53-P61 HydrophobicContact CD1-CG 3.62Å; Y53-P61 HydrophobicContact CE1-CB 4.44Å; Y53-P61 HydrophobicContact CE1-CG 3.77Å; Y53-P61 HydrophobicContact CG-CG 4.01Å
62T97.3Very high96.4Very high61 Ų6173 Ų7337%0.37437%0.366SS..THydrogen-bonded Turntrans-91.3-54.2-175.9-56.70000112.5F45 C60F45-T62 WeakPolarHBondContact CE1-OG1 3.27Å; F45-T62 VanDerWaalsContact CZ-OG1 3.26Å; F45-T62 WeakPolarHBondContact CZ-OG1 3.45Å; C60-T62 PolarHBondContact O-N 3.3Å; C60-T62 VanDerWaalsContact O-N 3.12Å; C60-T62 PolarHBondContact SG-N 3.1Å
63C97.7Very high96.2Very high57 Ų5770.3 Ų70.339%0.38536%0.358SS..THydrogen-bonded Turntrans-106-2-174.362.50000114.8C41 H43 C60 I65C41-C63 VanDerWaalsContact SG-SG 3.67Å; H43-C63 PolarHBondContact ND1-SG 3.39Å; H43-C63 VanDerWaalsContact ND1-SG 3.42Å; C60-C63 VanDerWaalsContact CB-SG 3.58Å; C60-C63 VanDerWaalsContact SG-SG 3.66Å; C63-I65 PolarHBondContact O-N 3.25Å; C63-I65 VanDerWaalsContact SG-CG2 3.59Å
64R97.1Very high95.9Very high155 Ų15575.1 Ų75.159%0.58538%0.382SS*.  trans60.78.7177.1-52.2-61-179167.11.5116.1Y53 T59 C60Y53-R64 PolarHBondContact OH-NH1 3.05Å; T59-R64 WeakPolarHBondContact CG2-O 3.2Å; C60-R64 WeakPolarHBondContact O-CA 3.23Å; C60-R64 PolarHBondContact O-N 3.1Å
65I96.9Very high95.8Very high85 Ų8578.6 Ų78.644%0.43640%0.395SS..  trans-61.4141.7169.9-159.8166.8000109.7C41 T59 C60 C63 I67C41-I65 HydrophobicContact CB-CG2 4.04Å; T59-I65 CarbonylContact C-O 3.43Å; T59-I65 WeakPolarHBondContact CA-O 3.21Å; T59-I65 WeakPolarHBondContact CB-O 3.31Å; C60-I65 HydrophobicContact CB-CG2 4.06Å; C60-I65 PolarHBondContact N-O 3.09Å; C63-I65 PolarHBondContact O-N 3.25Å; C63-I65 VanDerWaalsContact SG-CG2 3.59Å; I65-I67 PolarHBondContact O-N 2.96Å
66V97.4Very high95.8Very high76 Ų7672.8 Ų72.846%0.46137%0.368SS..BIsolated β-bridgetrans-67120.4173.1178.80000108.1T59T59-V66 HydrophobicContact CG2-CG2 4.11Å
67I96.6Very high95.7Very high7 Ų765.4 Ų65.44%0.03634%0.339CS..SBendtrans-70.6-50.1177.8-61.5-177.4000109V38 L54 N58 I65 P72 I76V38-I67 HydrophobicContact CG1-CB 4.45Å; V38-I67 HydrophobicContact CG1-CD1 3.87Å; V38-I67 HydrophobicContact CG1-CG1 3.74Å; V38-I67 HydrophobicContact CG1-CG2 4.14Å; V38-I67 HydrophobicContact CG2-CD1 3.78Å; L54-I67 HydrophobicContact CD1-CD1 4.15Å; L54-I67 HydrophobicContact CD2-CD1 3.73Å; N58-I67 PolarHBondContact O-N 3.44Å; I65-I67 PolarHBondContact O-N 2.96Å; I67-P72 HydrophobicContact CB-CB 4.24Å; I67-P72 HydrophobicContact CG2-CB 4.18Å; I67-I76 HydrophobicContact CD1-CG2 4.45Å
68H96.3Very high95.5Very high50 Ų5066.9 Ų66.923%0.23134%0.344CS..  trans-163.7155.4173.6-172.2-85.4000109.4N58 S70 H71 Y75N58-H68 WeakPolarHBondContact CB-O 3.42Å; H68-S70 PolarHBondContact ND1-N 3.49Å; H68-S70 VanDerWaalsContact ND1-N 3.1Å; H68-H71 PolarHBondContact ND1-N 2.99Å; H68-Y75 HydrophobicContact CB-CD2 3.67Å; H68-Y75 HydrophobicContact CB-CE2 4Å; H68-Y75 HydrophobicContact CB-CG 4.2Å; H68-Y75 AromaticContact CD2-CD2 3.66Å; H68-Y75 AromaticContact CD2-CE2 3.02Å; H68-Y75 WeakPolarHBondContact CD2-CE2 3.46Å; H68-Y75 AromaticContact CD2-CZ 3.29Å; H68-Y75 PolarHBondContact CD2-OH 2.92Å; H68-Y75 AromaticContact CG-CD2 3.73Å; H68-Y75 AromaticContact CG-CE2 3.52Å; H68-Y75 AromaticContact NE2-CE2 3.63Å; H68-Y75 AromaticContact NE2-CZ 3.87Å
69Q93.2Very high95.4Very high163 Ų16365.9 Ų65.976%0.76234%0.338SS*.SBendtrans-65.9-51.2-176.9-65177.9100113N58N58-Q69 PolarHBondContact ND2-O 2.96Å
70S91.8Very high95Very high86 Ų8669.2 Ų69.260%0.60135%0.348SS*.SBendtrans-115.3-32.8-175.2-42.80000115.5H68 P72H68-S70 PolarHBondContact ND1-N 3.49Å; H68-S70 VanDerWaalsContact ND1-N 3.1Å; S70-P72 VanDerWaalsContact C-CD 3.4Å; S70-P72 VanDerWaalsContact O-CD 3.28Å; S70-P72 WeakPolarHBondContact O-CD 3.18Å
71H92.6Very high94.7Very high98 Ų9873.6 Ų73.645%0.45437%0.374SS..  trans-120.461-173.5-52108.8000113.4H68 L73 Q74 Y75H68-H71 PolarHBondContact ND1-N 2.99Å; H71-L73 PolarHBondContact O-N 2.9Å; H71-Q74 HydrophobicContact CB-CB 4.43Å; H71-Q74 HydrophobicContact CB-CG 4.11Å; H71-Q74 PolarHBondContact O-N 3.4Å; H71-Q74 VanDerWaalsContact O-N 3.12Å; H71-Y75 WeakPolarHBondContact O-CD2 3.42Å
72P94.4Very high94.6Very high14 Ų1475 Ų759%0.09138%0.38CS..G310 helixtrans-60.1-30.5-176.926.6-35.4000113.3L54 N58 I67 S70 Q74 Y75L54-P72 HydrophobicContact CB-CG 4.4Å; L54-P72 HydrophobicContact CD1-CB 4.25Å; L54-P72 HydrophobicContact CD2-CB 4.13Å; N58-P72 HydrophobicContact CB-CB 4.49Å; N58-P72 HydrophobicContact CB-CG 4.33Å; I67-P72 HydrophobicContact CB-CB 4.24Å; I67-P72 HydrophobicContact CG2-CB 4.18Å; S70-P72 VanDerWaalsContact C-CD 3.4Å; S70-P72 VanDerWaalsContact O-CD 3.28Å; S70-P72 WeakPolarHBondContact O-CD 3.18Å; P72-Q74 PolarHBondContact O-N 3.28Å; P72-Y75 PolarHBondContact O-N 3.11Å; P72-Y75 VanDerWaalsContact O-N 3.09Å
73L93.9Very high94.6Very high95 Ų9572.7 Ų72.750%0.49737%0.365SS..G310 helixtrans-64.1-22.3177.9-64.3178.5000114V51 L54 H71 Y75 I76V51-L73 HydrophobicContact CB-CD2 4.45Å; V51-L73 HydrophobicContact CG1-CD2 4.24Å; V51-L73 HydrophobicContact CG2-CD2 4.21Å; L54-L73 HydrophobicContact CB-CD2 4.06Å; L54-L73 HydrophobicContact CD1-CD2 4.13Å; H71-L73 PolarHBondContact O-N 2.9Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-I76 HydrophobicContact CD2-CD1 3.92Å; L73-I76 WeakPolarHBondContact O-CG1 3.28Å
74Q92.8Very high94.4Very high141 Ų14171.9 Ų71.966%0.65936%0.357SS*.G310 helixtrans-79.4-15.5176.6-65.3179.23.500112.6H71 P72H71-Q74 HydrophobicContact CB-CB 4.43Å; H71-Q74 HydrophobicContact CB-CG 4.11Å; H71-Q74 PolarHBondContact O-N 3.4Å; H71-Q74 VanDerWaalsContact O-N 3.12Å; P72-Q74 PolarHBondContact O-N 3.28Å
75Y94.6Very high94.3Very high85 Ų8567.7 Ų67.733%0.33335%0.345SS..G310 helixtrans-109.421.9-176-69.6-97.8000112.3T39 H68 H71 P72 L73T39-Y75 WeakPolarHBondContact CG2-O 3.19Å; T39-Y75 PolarHBondContact N-O 3.31Å; T39-Y75 PolarHBondContact OG1-O 2.9Å; T39-Y75 VanDerWaalsContact OG1-O 3.1Å; H68-Y75 HydrophobicContact CB-CD2 3.67Å; H68-Y75 HydrophobicContact CB-CE2 4Å; H68-Y75 HydrophobicContact CB-CG 4.2Å; H68-Y75 AromaticContact CD2-CD2 3.66Å; H68-Y75 AromaticContact CD2-CE2 3.02Å; H68-Y75 WeakPolarHBondContact CD2-CE2 3.46Å; H68-Y75 AromaticContact CD2-CZ 3.29Å; H68-Y75 PolarHBondContact CD2-OH 2.92Å; H68-Y75 AromaticContact CG-CD2 3.73Å; H68-Y75 AromaticContact CG-CE2 3.52Å; H68-Y75 AromaticContact NE2-CE2 3.63Å; H68-Y75 AromaticContact NE2-CZ 3.87Å; H71-Y75 WeakPolarHBondContact O-CD2 3.42Å; P72-Y75 PolarHBondContact O-N 3.11Å; P72-Y75 VanDerWaalsContact O-N 3.09Å; L73-Y75 VanDerWaalsContact C-N 3.29Å
76I95.1Very high94.3Very high18 Ų1863.6 Ų63.69%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-121.3149.416867.1176.8000108.5T36 T37 V38 L50 V51 L54 I67 L73T36-I76 HydrophobicContact CG2-CB 3.87Å; T36-I76 HydrophobicContact CG2-CD1 4Å; T36-I76 HydrophobicContact CG2-CG1 4.05Å; T37-I76 WeakPolarHBondContact O-CA 3.45Å; V38-I76 HydrophobicContact CG2-CG2 4.19Å; L50-I76 HydrophobicContact CD2-CB 4.16Å; L50-I76 HydrophobicContact CD2-CD1 4.12Å; L50-I76 HydrophobicContact CD2-CG2 3.8Å; L50-I76 HydrophobicContact CG-CD1 4.36Å; V51-I76 HydrophobicContact CG2-CD1 4.21Å; L54-I76 HydrophobicContact CD1-CD1 4.02Å; L54-I76 HydrophobicContact CD1-CG2 3.96Å; I67-I76 HydrophobicContact CD1-CG2 4.45Å; L73-I76 HydrophobicContact CD2-CD1 3.92Å; L73-I76 WeakPolarHBondContact O-CG1 3.28Å
77G93.3Very high94.3Very high20 Ų2061.9 Ų61.921%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-144.4147.6-178.100000112.2T36 T37 D79T36-G77 CarbonylContact C-O 3.57Å; T36-G77 WeakPolarHBondContact CA-O 3.43Å; T37-G77 PolarHBondContact N-O 3.27Å; T37-G77 PolarHBondContact O-N 2.83Å; G77-D79 PolarHBondContact O-N 3.15Å
78H92.9Very high94.1Very high90 Ų9069.5 Ų69.542%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-60123.6172.3-68.2-88000110.5R47 R80R47-H78 WeakPolarHBondContact CD-CE1 3.27Å; R47-H78 PolarHBondContact NE-CE1 2.82Å; R47-H78 VanDerWaalsContact NE-CE1 3.34Å; H78-R80 PolarHBondContact O-N 2.75Å
79D94.9Very high94Very high37 Ų3770.8 Ų70.820%0.19835%0.351CS..  trans-96.177.8173.6-162.3-30.3000109.8A35 T37 G77 T81 M82 Q83A35-D79 HydrophobicContact CB-CB 4.36Å; A35-D79 PolarHBondContact O-N 3.17Å; T37-D79 VanDerWaalsContact OG1-CB 3.27Å; T37-D79 WeakPolarHBondContact OG1-CB 3.36Å; T37-D79 PolarHBondContact OG1-OD2 3.18Å; G77-D79 PolarHBondContact O-N 3.15Å; D79-T81 PolarHBondContact O-N 2.89Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-M82 HydrophobicContact CB-CB 3.98Å; D79-M82 HydrophobicContact CB-CG 4.29Å; D79-M82 VanDerWaalsContact CG-CB 3.45Å; D79-M82 PolarHBondContact O-N 2.95Å; D79-M82 WeakPolarHBondContact OD1-CB 3.42Å; D79-M82 WeakPolarHBondContact OD1-CG 3.35Å; D79-M82 PolarHBondContact OD1-N 3.34Å; D79-M82 WeakPolarHBondContact OD2-CG 3.3Å; D79-Q83 PolarHBondContact O-N 2.9Å
80R90.3Very high94.2Very high98 Ų9863.5 Ų63.537%0.3732%0.317SS..Hα-helixtrans-56-34.1-180-62.9-170.8-70.1-89.31.8112.1H78 D84 R157H78-R80 PolarHBondContact O-N 2.75Å; R80-D84 WeakPolarHBondContact O-CB 3.5Å; R80-D84 PolarHBondContact O-N 3.4Å; R80-R157 PolarHBondContact NH1-O 3.43Å
81T92Very high94.3Very high91 Ų9165 Ų6556%0.55833%0.325SS*.Hα-helixtrans-71.7-46.5-179.2-58.20000110.8D79 Q83 D84 I85D79-T81 PolarHBondContact O-N 2.89Å; D79-T81 PolarHBondContact OD1-N 2.92Å; T81-Q83 VanDerWaalsContact C-N 3.32Å; T81-Q83 PolarHBondContact O-N 3.4Å; T81-D84 PolarHBondContact O-N 3.16Å; T81-I85 HydrophobicContact CG2-CD1 4.04Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.31Å; T81-I85 PolarHBondContact O-N 3.21Å
82M96Very high94.4Very high47 Ų4762.4 Ų62.423%0.23233%0.325CS..Hα-helixtrans-61.6-42.3174.4-72.9-57.8-61.600111.3A35 D79 D84 I85 V86A35-M82 HydrophobicContact CB-CB 4.19Å; D79-M82 HydrophobicContact CB-CB 3.98Å; D79-M82 HydrophobicContact CB-CG 4.29Å; D79-M82 VanDerWaalsContact CG-CB 3.45Å; D79-M82 PolarHBondContact O-N 2.95Å; D79-M82 WeakPolarHBondContact OD1-CB 3.42Å; D79-M82 WeakPolarHBondContact OD1-CG 3.35Å; D79-M82 PolarHBondContact OD1-N 3.34Å; D79-M82 WeakPolarHBondContact OD2-CG 3.3Å; M82-D84 VanDerWaalsContact C-N 3.33Å; M82-D84 PolarHBondContact O-N 3.31Å; M82-I85 WeakPolarHBondContact O-CB 3.24Å; M82-I85 PolarHBondContact O-N 3.49Å; M82-I85 HydrophobicContact SD-CD1 4.05Å; M82-V86 VanDerWaalsContact O-CG2 3.31Å; M82-V86 WeakPolarHBondContact O-CG2 3.24Å; M82-V86 PolarHBondContact O-N 3.18Å
83Q96.3Very high94.6Very high14 Ų1463 Ų637%0.06533%0.327CS..Hα-helixtrans-59-44.6176.2-169.55749.200112.1L32 A35 D79 T81 I85 V86 Y87L32-Q83 PolarHBondContact O-NE2 3.09Å; L32-Q83 PolarHBondContact O-OE1 3.4Å; A35-Q83 HydrophobicContact CB-CB 4.02Å; D79-Q83 PolarHBondContact O-N 2.9Å; T81-Q83 VanDerWaalsContact C-N 3.32Å; T81-Q83 PolarHBondContact O-N 3.4Å; Q83-I85 VanDerWaalsContact C-N 3.33Å; Q83-I85 PolarHBondContact O-N 3.17Å; Q83-V86 PolarHBondContact O-N 2.98Å; Q83-Y87 HydrophobicContact CG-CD2 3.91Å; Q83-Y87 HydrophobicContact CG-CE2 3.58Å; Q83-Y87 VanDerWaalsContact NE2-CE1 3.26Å; Q83-Y87 PolarHBondContact NE2-OH 3.27Å; Q83-Y87 PolarHBondContact O-N 2.98Å
84D93.6Very high94.7Very high39 Ų3962.5 Ų62.521%0.20932%0.322CS..Hα-helixtrans-65.4-36.1177.2-72.7-28.6000112.9R80 T81 M82 K88 R182R80-D84 WeakPolarHBondContact O-CB 3.5Å; R80-D84 PolarHBondContact O-N 3.4Å; T81-D84 PolarHBondContact O-N 3.16Å; M82-D84 VanDerWaalsContact C-N 3.33Å; M82-D84 PolarHBondContact O-N 3.31Å; D84-K88 VanDerWaalsContact O-CB 3.31Å; D84-K88 WeakPolarHBondContact O-CB 3.22Å; D84-K88 VanDerWaalsContact O-CG 3.24Å; D84-K88 WeakPolarHBondContact O-CG 3.31Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-R182 IonicContact OD2-CZ 3.11Å; D84-R182 IonicContact OD2-NH1 2.6Å; D84-R182 PolarHBondContact OD2-NH1 3.19Å; D84-R182 IonicContact OD2-NH2 2.81Å; D84-R182 PolarHBondContact OD2-NH2 3.36Å
85I95.1Very high94.8Very high67 Ų6761.6 Ų61.634%0.34432%0.318SS..Hα-helixtrans-61.9-47.6174-72.5166000109.3T81 M82 Q83 K88 L89T81-I85 HydrophobicContact CG2-CD1 4.04Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.31Å; T81-I85 PolarHBondContact O-N 3.21Å; M82-I85 WeakPolarHBondContact O-CB 3.24Å; M82-I85 PolarHBondContact O-N 3.49Å; M82-I85 HydrophobicContact SD-CD1 4.05Å; Q83-I85 VanDerWaalsContact C-N 3.33Å; Q83-I85 PolarHBondContact O-N 3.17Å; I85-K88 PolarHBondContact O-N 3.28Å; I85-L89 HydrophobicContact CG2-CD1 3.5Å; I85-L89 HydrophobicContact CG2-CG 4.22Å; I85-L89 VanDerWaalsContact O-CB 3.31Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 WeakPolarHBondContact O-CG 3.02Å; I85-L89 PolarHBondContact O-N 3.45Å
86V97.3Very high94.9Very high0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-60.8-49179.4176.80000111I23 L32 M82 Q83 K88 L89 V90 L93I23-V86 HydrophobicContact CB-CG2 3.71Å; I23-V86 HydrophobicContact CG2-CG2 3.87Å; L32-V86 HydrophobicContact CB-CG2 4.1Å; L32-V86 HydrophobicContact CD1-CG2 4.1Å; M82-V86 VanDerWaalsContact O-CG2 3.31Å; M82-V86 WeakPolarHBondContact O-CG2 3.24Å; M82-V86 PolarHBondContact O-N 3.18Å; Q83-V86 PolarHBondContact O-N 2.98Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.96Å; V86-L89 PolarHBondContact O-N 3.47Å; V86-V90 HydrophobicContact CG1-CG2 4.26Å; V86-V90 WeakPolarHBondContact O-CG2 3.32Å; V86-V90 PolarHBondContact O-N 3.47Å; V86-L93 HydrophobicContact CG1-CD2 3.54Å
87Y96.4Very high95Very high40 Ų4061.4 Ų61.416%0.15733%0.328CS..Hα-helixtrans-64.7-32.7178.8-72.3-33.1000114I33 Q83 L93 Q94I33-Y87 HydrophobicContact CD1-CE1 4.08Å; Q83-Y87 HydrophobicContact CG-CD2 3.91Å; Q83-Y87 HydrophobicContact CG-CE2 3.58Å; Q83-Y87 VanDerWaalsContact NE2-CE1 3.26Å; Q83-Y87 PolarHBondContact NE2-OH 3.27Å; Q83-Y87 PolarHBondContact O-N 2.98Å; Y87-L93 HydrophobicContact CD1-CB 4.44Å; Y87-L93 HydrophobicContact CD1-CD2 4.1Å; Y87-L93 HydrophobicContact CD1-CG 4.13Å; Y87-L93 HydrophobicContact CE1-CD2 4.34Å; Y87-L93 HydrophobicContact CE1-CG 4.18Å; Y87-Q94 HydrophobicContact CD1-CB 3.56Å; Y87-Q94 HydrophobicContact CD1-CG 4.07Å; Y87-Q94 HydrophobicContact CD2-CB 4.25Å; Y87-Q94 HydrophobicContact CD2-CG 3.92Å; Y87-Q94 HydrophobicContact CE1-CB 3.96Å; Y87-Q94 HydrophobicContact CE1-CG 4.19Å; Y87-Q94 HydrophobicContact CE2-CG 4.04Å; Y87-Q94 HydrophobicContact CG-CB 3.74Å; Y87-Q94 HydrophobicContact CG-CG 3.94Å
88K93.9Very high94.9Very high167 Ų16763.4 Ų63.473%0.72633%0.333SS*.Hα-helixtrans-77.5-28.8176.3-74.1172.3-178173.10113.6D84 I85 V86D84-K88 VanDerWaalsContact O-CB 3.31Å; D84-K88 WeakPolarHBondContact O-CB 3.22Å; D84-K88 VanDerWaalsContact O-CG 3.24Å; D84-K88 WeakPolarHBondContact O-CG 3.31Å; D84-K88 PolarHBondContact O-N 2.94Å; I85-K88 PolarHBondContact O-N 3.28Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.96Å
89L94.4Very high95Very high77 Ų7765.5 Ų65.540%0.40334%0.341SS..Hα-helixtrans-88.1-32.6-177.2-70.3178.7000113.1I19 I85 V86 P91I19-L89 HydrophobicContact CG2-CD1 4.07Å; I85-L89 HydrophobicContact CG2-CD1 3.5Å; I85-L89 HydrophobicContact CG2-CG 4.22Å; I85-L89 VanDerWaalsContact O-CB 3.31Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 WeakPolarHBondContact O-CG 3.02Å; I85-L89 PolarHBondContact O-N 3.45Å; V86-L89 PolarHBondContact O-N 3.47Å; L89-P91 WeakPolarHBondContact O-CD 3.3Å
90V95.8Very high95Very high9 Ų970 Ų706%0.05536%0.358CS..SBendtrans-98.7109.1-177-172.50000109.8L16 I23 Y31 V86 G92 L93L16-V90 HydrophobicContact CD1-CG2 4.27Å; L16-V90 HydrophobicContact CD2-CG1 4.27Å; L16-V90 HydrophobicContact CD2-CG2 4.5Å; I23-V90 HydrophobicContact CD1-CG2 3.67Å; Y31-V90 HydrophobicContact CD1-CG2 3.8Å; Y31-V90 HydrophobicContact CD2-CG1 3.98Å; Y31-V90 HydrophobicContact CD2-CG2 4.43Å; Y31-V90 HydrophobicContact CE1-CG1 4.49Å; Y31-V90 HydrophobicContact CE1-CG2 3.78Å; Y31-V90 HydrophobicContact CE2-CG1 3.7Å; Y31-V90 HydrophobicContact CE2-CG2 4.4Å; Y31-V90 HydrophobicContact CG-CG1 4.49Å; Y31-V90 HydrophobicContact CG-CG2 4.15Å; V86-V90 HydrophobicContact CG1-CG2 4.26Å; V86-V90 WeakPolarHBondContact O-CG2 3.32Å; V86-V90 PolarHBondContact O-N 3.47Å; V90-G92 PolarHBondContact O-N 3.43Å; V90-L93 HydrophobicContact CB-CB 3.86Å; V90-L93 HydrophobicContact CB-CD2 3.84Å; V90-L93 HydrophobicContact CB-CG 4.48Å; V90-L93 HydrophobicContact CG1-CB 3.73Å; V90-L93 HydrophobicContact CG1-CD2 4.06Å; V90-L93 HydrophobicContact CG1-CG 4.37Å; V90-L93 HydrophobicContact CG2-CD2 4.13Å; V90-L93 PolarHBondContact O-N 3.01Å
91P94.8Very high95.2Very high118 Ų11869.2 Ų69.277%0.76636%0.359SS*.THydrogen-bonded Turntrans-62131.1-178-2234.1000112.2L89 L93L89-P91 WeakPolarHBondContact O-CD 3.3Å; P91-L93 PolarHBondContact O-N 3.15Å
92G95.6Very high95.2Very high43 Ų4371 Ų7144%0.44336%0.356SS..THydrogen-bonded Turntrans75.8-0.2173.900000115.6V90 E95 A96V90-G92 PolarHBondContact O-N 3.43Å; G92-E95 VanDerWaalsContact C-OE2 3.28Å; G92-E95 WeakPolarHBondContact CA-OE2 3.44Å; G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 3.32Å
93L96.9Very high95.2Very high28 Ų2871.7 Ų71.715%0.14736%0.36CS..Hα-helixtrans-67.5-45.2-175.6-179.865.7000112Y31 I33 V86 Y87 V90 P91 A96 E97Y31-L93 HydrophobicContact CD2-CD1 4.08Å; Y31-L93 HydrophobicContact CD2-CD2 4.23Å; Y31-L93 HydrophobicContact CG-CD2 4.05Å; I33-L93 HydrophobicContact CD1-CD1 4.24Å; I33-L93 HydrophobicContact CD1-CD2 4.46Å; I33-L93 HydrophobicContact CD1-CG 4.31Å; V86-L93 HydrophobicContact CG1-CD2 3.54Å; Y87-L93 HydrophobicContact CD1-CB 4.44Å; Y87-L93 HydrophobicContact CD1-CD2 4.1Å; Y87-L93 HydrophobicContact CD1-CG 4.13Å; Y87-L93 HydrophobicContact CE1-CD2 4.34Å; Y87-L93 HydrophobicContact CE1-CG 4.18Å; V90-L93 HydrophobicContact CB-CB 3.86Å; V90-L93 HydrophobicContact CB-CD2 3.84Å; V90-L93 HydrophobicContact CB-CG 4.48Å; V90-L93 HydrophobicContact CG1-CB 3.73Å; V90-L93 HydrophobicContact CG1-CD2 4.06Å; V90-L93 HydrophobicContact CG1-CG 4.37Å; V90-L93 HydrophobicContact CG2-CD2 4.13Å; V90-L93 PolarHBondContact O-N 3.01Å; P91-L93 PolarHBondContact O-N 3.15Å; L93-A96 PolarHBondContact O-N 2.98Å; L93-E97 PolarHBondContact O-N 2.97Å
94Q96.4Very high95.1Very high83 Ų8376.6 Ų76.639%0.38838%0.381SS..Hα-helixtrans-65.5-45.7-178.2-170.4175.77.300111Y87 A96 E97 I98Y87-Q94 HydrophobicContact CD1-CB 3.56Å; Y87-Q94 HydrophobicContact CD1-CG 4.07Å; Y87-Q94 HydrophobicContact CD2-CB 4.25Å; Y87-Q94 HydrophobicContact CD2-CG 3.92Å; Y87-Q94 HydrophobicContact CE1-CB 3.96Å; Y87-Q94 HydrophobicContact CE1-CG 4.19Å; Y87-Q94 HydrophobicContact CE2-CG 4.04Å; Y87-Q94 HydrophobicContact CG-CB 3.74Å; Y87-Q94 HydrophobicContact CG-CG 3.94Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; Q94-A96 PolarHBondContact O-N 3.03Å; Q94-E97 PolarHBondContact O-N 3.45Å; Q94-I98 HydrophobicContact CG-CD1 3.99Å; Q94-I98 VanDerWaalsContact O-CG1 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.36Å; Q94-I98 PolarHBondContact O-N 3.04Å
95E95.6Very high95.1Very high123 Ų12377.1 Ų77.158%0.57538%0.381SS*.Hα-helixtrans-63.8-40.5178.5-61.580.8-179.800111.4G92 K99G92-E95 VanDerWaalsContact C-OE2 3.28Å; G92-E95 WeakPolarHBondContact CA-OE2 3.44Å; E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.3Å; E95-K99 PolarHBondContact O-N 3.12Å
96A96.9Very high95Very high44 Ų4481 Ų8136%0.36440%0.398SS..Hα-helixtrans-64.2-39.9176.200000112G92 L93 Q94 K100G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 3.32Å; L93-A96 PolarHBondContact O-N 2.98Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; Q94-A96 PolarHBondContact O-N 3.03Å; A96-K100 WeakPolarHBondContact O-CG 3.3Å; A96-K100 PolarHBondContact O-N 3.35Å
97E96.1Very high94.9Very high55 Ų5589.5 Ų89.526%0.25744%0.435SS..Hα-helixtrans-69.1-46.6178.5-170.159-159.100112I33 L93 Q94 K99 K100 Q101I33-E97 HydrophobicContact CD1-CB 4.37Å; I33-E97 HydrophobicContact CD1-CG 4.13Å; I33-E97 HydrophobicContact CG2-CG 3.92Å; L93-E97 PolarHBondContact O-N 2.97Å; Q94-E97 PolarHBondContact O-N 3.45Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 3.19Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.15Å; E97-K100 IonicContact OE2-NZ 3.86Å; E97-Q101 PolarHBondContact O-N 3.45Å
98I92.7Very high94.8Very high62 Ų6292.3 Ų92.332%0.31845%0.452SS..Hα-helixtrans-57-43.5174.7-68.8166.9000110.6Q94 Q101 R102Q94-I98 HydrophobicContact CG-CD1 3.99Å; Q94-I98 VanDerWaalsContact O-CG1 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.36Å; Q94-I98 PolarHBondContact O-N 3.04Å; I98-Q101 PolarHBondContact O-N 2.99Å; I98-R102 WeakPolarHBondContact O-CG 3.38Å; I98-R102 PolarHBondContact O-N 3.02Å
99K95.1Very high94.7Very high133 Ų13387.8 Ų87.858%0.57845%0.453SS*.Hα-helixtrans-61.3-47.3177.2-176.3-178.8176.7-175.50111.6E95 E97 Q101 R102 D103E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.3Å; E95-K99 PolarHBondContact O-N 3.12Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 3.19Å; K99-Q101 VanDerWaalsContact C-N 3.3Å; K99-Q101 PolarHBondContact O-N 2.81Å; K99-R102 PolarHBondContact O-N 3.27Å; K99-D103 WeakPolarHBondContact O-CB 3.45Å; K99-D103 PolarHBondContact O-N 2.98Å
100K94.9Very high94.5Very high131 Ų13189.5 Ų89.557%0.5746%0.46SS*.Hα-helixtrans-58.9-42.4177.7-74.4173.2-170.3169.50111.9A96 E97 D103 F104A96-K100 WeakPolarHBondContact O-CG 3.3Å; A96-K100 PolarHBondContact O-N 3.35Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.15Å; E97-K100 IonicContact OE2-NZ 3.86Å; K100-D103 PolarHBondContact O-N 3.34Å; K100-F104 WeakPolarHBondContact O-CB 3.4Å; K100-F104 PolarHBondContact O-N 3.48Å
101Q92.9Very high94Very high83 Ų8397.3 Ų97.339%0.38850%0.496SS..Hα-helixtrans-62.6-48.9178-169.517919.300110.9E97 I98 K99 D103 F104 Y105 V112E97-Q101 PolarHBondContact O-N 3.45Å; I98-Q101 PolarHBondContact O-N 2.99Å; K99-Q101 VanDerWaalsContact C-N 3.3Å; K99-Q101 PolarHBondContact O-N 2.81Å; Q101-D103 PolarHBondContact O-N 2.6Å; Q101-F104 WeakPolarHBondContact O-CB 3.39Å; Q101-F104 PolarHBondContact O-N 3.12Å; Q101-Y105 HydrophobicContact CG-CD2 3.99Å; Q101-Y105 HydrophobicContact CG-CE2 3.86Å; Q101-Y105 VanDerWaalsContact O-CD2 3.31Å; Q101-Y105 WeakPolarHBondContact O-CD2 3.44Å; Q101-Y105 PolarHBondContact O-N 3.21Å; Q101-Y105 VanDerWaalsContact O-N 3.12Å; Q101-V112 HydrophobicContact CG-CG1 4.13Å
102R92.4Very high93.6Very high128 Ų12893 Ų9348%0.48347%0.467SS..Hα-helixtrans-59-48.2176.5-74.2177.7-178.91723.3112.3I98 K99 F104 Y105 Q106 V112I98-R102 WeakPolarHBondContact O-CG 3.38Å; I98-R102 PolarHBondContact O-N 3.02Å; K99-R102 PolarHBondContact O-N 3.27Å; R102-F104 PolarHBondContact O-N 3.39Å; R102-Y105 PolarHBondContact O-N 3.33Å; R102-Q106 VanDerWaalsContact O-CB 3.26Å; R102-Q106 WeakPolarHBondContact O-CB 3.31Å; R102-Q106 PolarHBondContact O-N 3.29Å; R102-V112 HydrophobicContact CG-CG2 4.11Å
103D95.3Very high92.8Very high61 Ų6194.8 Ų94.833%0.32647%0.471SS..Hα-helixtrans-60.3-33.8179.4-69.3-9.1000111.5K99 K100 Q101 K107K99-D103 WeakPolarHBondContact O-CB 3.45Å; K99-D103 PolarHBondContact O-N 2.98Å; K100-D103 PolarHBondContact O-N 3.34Å; Q101-D103 PolarHBondContact O-N 2.6Å; D103-K107 WeakPolarHBondContact O-CD 3.42Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 2.89Å
104F95.4Very high91.3Very high117 Ų11797 Ų9751%0.51350%0.501SS..Hα-helixtrans-67.9-53.3176.2174.8-98.1000112.3K100 Q101 R102 Q106 K107 L108K100-F104 WeakPolarHBondContact O-CB 3.4Å; K100-F104 PolarHBondContact O-N 3.48Å; Q101-F104 WeakPolarHBondContact O-CB 3.39Å; Q101-F104 PolarHBondContact O-N 3.12Å; R102-F104 PolarHBondContact O-N 3.39Å; F104-Q106 VanDerWaalsContact C-N 3.34Å; F104-Q106 PolarHBondContact O-N 3.36Å; F104-K107 PolarHBondContact O-N 3.5Å; F104-L108 HydrophobicContact CD1-CD1 4.12Å; F104-L108 HydrophobicContact CE1-CD1 3.53Å; F104-L108 HydrophobicContact CE2-CD1 4.11Å; F104-L108 HydrophobicContact CZ-CD1 3.53Å; F104-L108 PolarHBondContact O-N 3.33Å
105Y93.2Very high89.6Confident50 Ų5097.5 Ų97.520%0.19651%0.506CS..Hα-helixtrans-66.4-36.7-179.7-78.8-79.2000112.3Q101 R102 K107 L108 G109 M110 V112 P113Q101-Y105 HydrophobicContact CG-CD2 3.99Å; Q101-Y105 HydrophobicContact CG-CE2 3.86Å; Q101-Y105 VanDerWaalsContact O-CD2 3.31Å; Q101-Y105 WeakPolarHBondContact O-CD2 3.44Å; Q101-Y105 PolarHBondContact O-N 3.21Å; Q101-Y105 VanDerWaalsContact O-N 3.12Å; R102-Y105 PolarHBondContact O-N 3.33Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å; Y105-L108 CarbonylContact O-C 3.55Å; Y105-L108 PolarHBondContact O-N 3.26Å; Y105-G109 PolarHBondContact O-N 3.29Å; Y105-G109 VanDerWaalsContact O-N 3.09Å; Y105-M110 CarbonylContact C-O 3.57Å; Y105-M110 HydrophobicContact CD1-CB 3.92Å; Y105-M110 PolarHBondContact O-N 2.88Å; Y105-V112 HydrophobicContact CD2-CB 4.3Å; Y105-V112 HydrophobicContact CD2-CG1 4.17Å; Y105-V112 HydrophobicContact CD2-CG2 3.92Å; Y105-V112 HydrophobicContact CE2-CG1 4.41Å; Y105-V112 HydrophobicContact CG-CG2 4.06Å; Y105-P113 VanDerWaalsContact CE1-CD 3.48Å; Y105-P113 HydrophobicContact CE1-CG 3.99Å; Y105-P113 WeakPolarHBondContact OH-CD 3.39Å
106Q93.4Very high87.4Confident149 Ų14999.1 Ų99.170%0.69652%0.517SS*.Hα-helixtrans-60.7-41.7175.4-174178.516.100111.9R102 F104 L108 G109R102-Q106 VanDerWaalsContact O-CB 3.26Å; R102-Q106 WeakPolarHBondContact O-CB 3.31Å; R102-Q106 PolarHBondContact O-N 3.29Å; F104-Q106 VanDerWaalsContact C-N 3.34Å; F104-Q106 PolarHBondContact O-N 3.36Å; Q106-L108 PolarHBondContact O-N 2.97Å; Q106-G109 PolarHBondContact O-N 3.32Å
107K95.5Very high85Confident179 Ų179107 Ų10778%0.77854%0.543SS*.Hα-helixtrans-64.2-26.5176-75.3169.8-172.5175.70113D103 F104 Y105D103-K107 WeakPolarHBondContact O-CD 3.42Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 2.89Å; F104-K107 PolarHBondContact O-N 3.5Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å
108L93.6Very high82.5Confident98 Ų98107.2 Ų107.251%0.51356%0.56SS.*THydrogen-bonded Turntrans-88.9-3.2176.1-63.6175.7000113F104 Y105 Q106 M110F104-L108 HydrophobicContact CD1-CD1 4.12Å; F104-L108 HydrophobicContact CE1-CD1 3.53Å; F104-L108 HydrophobicContact CE2-CD1 4.11Å; F104-L108 HydrophobicContact CZ-CD1 3.53Å; F104-L108 PolarHBondContact O-N 3.33Å; Y105-L108 CarbonylContact O-C 3.55Å; Y105-L108 PolarHBondContact O-N 3.26Å; Q106-L108 PolarHBondContact O-N 2.97Å; L108-M110 HydrophobicContact CB-CB 4.44Å; L108-M110 HydrophobicContact CB-CG 4.06Å; L108-M110 HydrophobicContact CB-SD 4.03Å; L108-M110 HydrophobicContact CD1-SD 4.37Å; L108-M110 PolarHBondContact O-N 3.42Å
109G91.1Very high80Confident73 Ų73113.2 Ų113.275%0.75359%0.587SS**THydrogen-bonded Turntrans66.226.2-175.100000113.3Y105 Q106Y105-G109 PolarHBondContact O-N 3.29Å; Y105-G109 VanDerWaalsContact O-N 3.09Å; Q106-G109 PolarHBondContact O-N 3.32Å
110M91.1Very high77.3Confident113 Ų113115 Ų11556%0.55760%0.602SS**  trans-112.6153.7-175-66.9177.771.200111.3Y105 L108Y105-M110 CarbonylContact C-O 3.57Å; Y105-M110 HydrophobicContact CD1-CB 3.92Å; Y105-M110 PolarHBondContact O-N 2.88Å; L108-M110 HydrophobicContact CB-CB 4.44Å; L108-M110 HydrophobicContact CB-CG 4.06Å; L108-M110 HydrophobicContact CB-SD 4.03Å; L108-M110 HydrophobicContact CD1-SD 4.37Å; L108-M110 PolarHBondContact O-N 3.42Å
111E85.9Confident74.3Confident173 Ų173114.3 Ų114.381%0.80861%0.612SS**PPolyproline II helixtrans-76145.7169.6-63.1-170.3163.900110.8P113E111-P113 WeakPolarHBondContact O-CD 3.26Å
112V84.9Confident71.4Confident27 Ų27118 Ų11816%0.16463%0.634CS.*PPolyproline II helixtrans-74122.8176.8-1780000109.2Q101 R102 Y105 G114Q101-V112 HydrophobicContact CG-CG1 4.13Å; R102-V112 HydrophobicContact CG-CG2 4.11Å; Y105-V112 HydrophobicContact CD2-CB 4.3Å; Y105-V112 HydrophobicContact CD2-CG1 4.17Å; Y105-V112 HydrophobicContact CD2-CG2 3.92Å; Y105-V112 HydrophobicContact CE2-CG1 4.41Å; Y105-V112 HydrophobicContact CG-CG2 4.06Å; V112-G114 PolarHBondContact O-N 3.47Å
113P79.9Confident68.6Low81 Ų81119.7 Ų119.753%0.52665%0.65SS.*THydrogen-bonded Turntrans-62.5134.5176.1-22.734.2000111.8Y105 E111Y105-P113 VanDerWaalsContact CE1-CD 3.48Å; Y105-P113 HydrophobicContact CE1-CG 3.99Å; Y105-P113 WeakPolarHBondContact OH-CD 3.39Å; E111-P113 WeakPolarHBondContact O-CD 3.26Å
114G65.5Low65.6Low74 Ų74125.8 Ų125.876%0.76367%0.674SS**THydrogen-bonded Turntrans86.8-1.7173.700000116.1V112 I116V112-G114 PolarHBondContact O-N 3.47Å; G114-I116 VanDerWaalsContact C-N 3.28Å; G114-I116 PolarHBondContact O-N 3.1Å
115D59.8Low62.4Low93 Ų93126.7 Ų126.750%0.49769%0.689SS.*  trans-69.387.4166.9-91.5-18.4000109K117D115-K117 PolarHBondContact O-N 2.91Å; D115-K117 VanDerWaalsContact O-N 3.1Å
116I49.2Very low59.5Low157 Ų157131.4 Ų131.481%0.80571%0.712SS**  trans-60.7114.8164.5-62.9173.7000106.3G114 G118G114-I116 VanDerWaalsContact C-N 3.28Å; G114-I116 PolarHBondContact O-N 3.1Å; I116-G118 PolarHBondContact O-N 2.89Å
117K48.3Very low56.5Low209 Ų209132.4 Ų132.491%0.90972%0.722SS**SBendtrans-49.1103.6171.6-77.2-179.4176.3173.10109.7D115D115-K117 PolarHBondContact O-N 2.91Å; D115-K117 VanDerWaalsContact O-N 3.1Å
118G41.7Very low53.2Low61 Ų61128.8 Ų128.863%0.62971%0.711SS**  trans-174.886.8-176.200000112.7I116I116-G118 PolarHBondContact O-N 2.89Å
119E41.5Very low50.3Low187 Ų187132.7 Ų132.787%0.87473%0.726SS**SBendtrans88.5117.1160.7-55.2-175.5147.900118.4
120L38.8Very low47.3Very low172 Ų172140 Ų14090%0.90173%0.732SS**  trans74.6114.4-177.9-66.696.3000114.8
121C31Very low44.2Very low115 Ų115142.4 Ų142.478%0.77775%0.747SS**  cis-159135.628.7490000111.7M123C121-M123 PolarHBondContact O-N 3.02Å
122N31.2Very low41.4Very low160 Ų160137.6 Ų137.686%0.85674%0.743SS**  trans-63.6110.2157.6-89.3-3.4000108.9
123M33.8Very low38.6Very low165 Ų165144.1 Ų144.181%0.81378%0.777SS**  trans-136103.4145.8-162.973.683.400107.1C121 T125C121-M123 PolarHBondContact O-N 3.02Å; M123-T125 PolarHBondContact O-N 2.95Å
124K32.6Very low36.2Very low189 Ų189146.8 Ų146.882%0.82279%0.792SS**  trans-63.3122.6168.8-67178.1176.3-1800107.7
125T29.5Very low34.4Very low136 Ų136153.2 Ų153.283%0.83480%0.799SS**  trans-123.6103.3146.132.20000107.8M123M123-T125 PolarHBondContact O-N 2.95Å
126H32Very low33Very low148 Ų148153.9 Ų153.969%0.68581%0.811SS**  trans-55126168-156.6-91.2000109.4D128H126-D128 IonicContact CE1-OD1 3.59Å; H126-D128 IonicContact CE1-OD2 3.12Å; H126-D128 PolarHBondContact CE1-OD2 2.96Å; H126-D128 IonicContact ND1-OD2 3.35Å; H126-D128 PolarHBondContact ND1-OD2 2.66Å
127L29.3Very low32.1Very low170 Ų170155.1 Ų155.189%0.8981%0.814SS**  trans-153.2124.9138.2-135.782.5000110
128D27.6Very low31.3Very low104 Ų104153.3 Ų153.356%0.55681%0.814SS**  trans-68149.1-174.7-61.6-76.9000114.9H126H126-D128 IonicContact CE1-OD1 3.59Å; H126-D128 IonicContact CE1-OD2 3.12Å; H126-D128 PolarHBondContact CE1-OD2 2.96Å; H126-D128 IonicContact ND1-OD2 3.35Å; H126-D128 PolarHBondContact ND1-OD2 2.66Å
129Q32.2Very low30.8Very low179 Ų179156.5 Ų156.584%0.83682%0.821SS**  169.7103121.7-91.5155.45700109
130R26.8Very low30.4Very low228 Ų228152.3 Ų152.386%0.8682%0.819SS**  80.7128.786.5-85.7-167.7-175.9-171.21.5115.1
131N27.1Very low30Very low163 Ų163150.9 Ų150.987%0.87281%0.812SS**  trans72.6137161.1-65.34.4000117.7
132G26.3Very low30.1Very low72 Ų72155.2 Ų155.274%0.74282%0.818SS**  cis-172.7158.51.400000109.9
133D27.1Very low30.2Very low164 Ų164156.7 Ų156.788%0.87782%0.819SS**  trans-49.6137.5172.7-72.8-71.6000113.1
134T28.2Very low30.1Very low137 Ų137153.5 Ų153.584%0.8482%0.819SS**  -160.9122.4127.8-38.30000110
135K29.2Very low30.1Very low208 Ų208147.9 Ų147.990%0.90482%0.815SS**  trans-79132.2160.4-69.1175.7175.81790108.3
136S30.4Very low30.3Very low108 Ų108150.9 Ų150.976%0.75582%0.82SS**  trans-153.5112.1152.151.90000108.6
137E28.5Very low30.6Very low183 Ų183152.4 Ų152.486%0.85583%0.827SS**  trans-56136161.6-64.4172.4147.700108.6
138D32.2Very low30.6Very low171 Ų171153.2 Ų153.291%0.91482%0.823SS**  trans-153127.1144.5-102.4-30.8000110.1
139T31.8Very low31.1Very low128 Ų128153.6 Ų153.679%0.78583%0.832SS**  trans-95.1125.9-174.6-38.30000107.4
140A33.2Very low31.7Very low99 Ų99153.9 Ų153.982%0.81883%0.833SS**  trans-144.7104.9164.900000110.3
141N29.6Very low32.6Very low141 Ų141150.2 Ų150.275%0.75483%0.825SS**  trans-51.7131.7174.7-74.4-18000112.5
142K33.4Very low33.8Very low207 Ų207149.9 Ų149.990%0.982%0.824SS**  trans-133.4105146.7-87.6-174.6176.7176.30108.5A144K142-A144 PolarHBondContact O-N 2.8Å
143E33.2Very low35.4Very low190 Ų190150.4 Ų150.489%0.88881%0.81SS**  trans-64122.2168.1-65.1172.716200109.2
144A32.5Very low37.7Very low98 Ų98144.9 Ų144.981%0.8178%0.78SS**  trans-148.9112.9161.100000107.7K142K142-A144 PolarHBondContact O-N 2.8Å
145G31.5Very low40.1Very low71 Ų71147.3 Ų147.373%0.73278%0.775SS**  trans32.8103.3163.100000117.9E147G145-E147 PolarHBondContact O-N 2.88Å
146E34.8Very low42.6Very low200 Ų200142.8 Ų142.894%0.93576%0.757SS**  trans-6579.4159.5-70.4-178.1161.300110.1K148E146-K148 PolarHBondContact O-N 2.79Å
147E36.9Very low44.7Very low180 Ų180143.7 Ų143.784%0.84174%0.744SS**  trans-74.6105.2149.3-70.8-174.8177.100105.7G145 P149G145-E147 PolarHBondContact O-N 2.88Å; E147-P149 WeakPolarHBondContact O-CD 3.36Å; E147-P149 VanDerWaalsContact O-N 3.09Å
148K30.2Very low47Very low186 Ų186139.5 Ų139.581%0.80974%0.735SS**  trans-45.9122.4168.2-78.5178.1174.6177.60107E146 E150E146-K148 PolarHBondContact O-N 2.79Å; K148-E150 PolarHBondContact O-N 2.93Å
149P38.4Very low49.7Very low113 Ų113133.1 Ų133.173%0.73470%0.701SS**  trans-56.5119.8165.417.4-18.3000104.5E147 E151E147-P149 WeakPolarHBondContact O-CD 3.36Å; E147-P149 VanDerWaalsContact O-N 3.09Å; P149-E151 VanDerWaalsContact C-N 3.26Å; P149-E151 PolarHBondContact O-N 3.21Å
150E44.1Very low52.3Low185 Ų185132.5 Ų132.586%0.86469%0.689SS**  trans-50.2106.9164.3-68.3-172.9161.400104.3K148 D152K148-E150 PolarHBondContact O-N 2.93Å; E150-D152 PolarHBondContact O-N 3.33Å
151E46.7Very low55Low150 Ų150129.8 Ų129.870%0.70166%0.659SS**  trans-51.9112.9171.9-75.4177.2166.300104.1P149 N153P149-E151 VanDerWaalsContact C-N 3.26Å; P149-E151 PolarHBondContact O-N 3.21Å; E151-N153 WeakPolarHBondContact CB-ND2 3.19Å; E151-N153 PolarHBondContact O-N 2.86Å; E151-N153 PolarHBondContact OE2-ND2 2.87Å
152D50.9Low58.1Low156 Ų156123.9 Ų123.983%0.83463%0.628SS**  trans-64.569164.9-175.325.4000106.2E150 D154E150-D152 PolarHBondContact O-N 3.33Å; D152-D154 PolarHBondContact O-N 2.87Å
153N61.7Low61Low84 Ų84116 Ų11645%0.44960%0.599SS.*  trans-74.888.6176.6-84.2-41.5000103E151 Y155E151-N153 WeakPolarHBondContact CB-ND2 3.19Å; E151-N153 PolarHBondContact O-N 2.86Å; E151-N153 PolarHBondContact OE2-ND2 2.87Å; N153-Y155 WeakPolarHBondContact O-CD2 3.38Å; N153-Y155 WeakPolarHBondContact O-CE2 3.49Å; N153-Y155 PolarHBondContact O-N 3.31Å
154D73.6Confident64Low48 Ų48106.9 Ų106.926%0.25756%0.556SS.*  trans-60.83.9173.982.1-10.4000112.8D152 H156 R157 S158D152-D154 PolarHBondContact O-N 2.87Å; D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.09Å; D154-H156 WeakPolarHBondContact OD1-CA 3.21Å; D154-H156 PolarHBondContact OD1-N 3.09Å; D154-R157 WeakPolarHBondContact O-CB 3.5Å; D154-R157 WeakPolarHBondContact O-CD 3.27Å; D154-R157 WeakPolarHBondContact O-CG 3.41Å; D154-R157 PolarHBondContact O-N 3.15Å; D154-R157 VanDerWaalsContact O-N 3.09Å; D154-R157 PolarHBondContact OD1-N 3.41Å; D154-S158 WeakPolarHBondContact OD2-CA 3.45Å; D154-S158 WeakPolarHBondContact OD2-CB 3.45Å; D154-S158 PolarHBondContact OD2-N 3.06Å; D154-S158 PolarHBondContact OD2-OG 3.06Å
155Y79.4Confident67Low187 Ų187102.5 Ų102.573%0.73352%0.52SS*.THydrogen-bonded Turntrans54.243-178.4-60.6-84.1000112.1N153 R157N153-Y155 WeakPolarHBondContact O-CD2 3.38Å; N153-Y155 WeakPolarHBondContact O-CE2 3.49Å; N153-Y155 PolarHBondContact O-N 3.31Å; Y155-R157 PolarHBondContact O-N 2.98Å
156H82.1Confident70.1Confident113 Ų11399.1 Ų99.152%0.52349%0.485SS..THydrogen-bonded Turntrans63.223.5-179.1-55.8-69000113.3D154 D159D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.09Å; D154-H156 WeakPolarHBondContact OD1-CA 3.21Å; D154-H156 PolarHBondContact OD1-N 3.09Å; H156-D159 HydrophobicContact CB-CB 4.38Å; H156-D159 VanDerWaalsContact CB-OD2 3.22Å; H156-D159 WeakPolarHBondContact CB-OD2 3.47Å; H156-D159 IonicContact CG-OD2 3.58Å; H156-D159 IonicContact ND1-OD1 3.35Å; H156-D159 IonicContact ND1-OD2 3.34Å; H156-D159 PolarHBondContact ND1-OD2 3.37Å
157R74.6Confident73Confident127 Ų12793.1 Ų93.148%0.47946%0.457SS..SBendtrans-74.4-28.1-179.6-73172.3-176-158.62.5111.8R80 D154 Y155R80-R157 PolarHBondContact NH1-O 3.43Å; D154-R157 WeakPolarHBondContact O-CB 3.5Å; D154-R157 WeakPolarHBondContact O-CD 3.27Å; D154-R157 WeakPolarHBondContact O-CG 3.41Å; D154-R157 PolarHBondContact O-N 3.15Å; D154-R157 VanDerWaalsContact O-N 3.09Å; D154-R157 PolarHBondContact OD1-N 3.41Å; Y155-R157 PolarHBondContact O-N 2.98Å
158S77.2Confident75.7Confident95 Ų9586.3 Ų86.366%0.66443%0.428SS*.SBendtrans-98-1.7179-43.40000112.9D154D154-S158 WeakPolarHBondContact OD2-CA 3.45Å; D154-S158 WeakPolarHBondContact OD2-CB 3.45Å; D154-S158 PolarHBondContact OD2-N 3.06Å; D154-S158 PolarHBondContact OD2-OG 3.06Å
159D87.4Confident78.5Confident38 Ų3880.8 Ų80.820%0.20341%0.408CS..SBendtrans-56.3144.1177.5-78.55.4000112.1H156 Q161 S184 Q186H156-D159 HydrophobicContact CB-CB 4.38Å; H156-D159 VanDerWaalsContact CB-OD2 3.22Å; H156-D159 WeakPolarHBondContact CB-OD2 3.47Å; H156-D159 IonicContact CG-OD2 3.58Å; H156-D159 IonicContact ND1-OD1 3.35Å; H156-D159 IonicContact ND1-OD2 3.34Å; H156-D159 PolarHBondContact ND1-OD2 3.37Å; D159-Q161 PolarHBondContact O-N 2.93Å; D159-Q161 PolarHBondContact O-NE2 3.39Å; D159-S184 VanDerWaalsContact CB-OG 3.3Å; D159-S184 WeakPolarHBondContact CB-OG 2.98Å; D159-S184 WeakPolarHBondContact OD2-CB 2.93Å; D159-S184 PolarHBondContact OD2-OG 3.34Å; D159-Q186 VanDerWaalsContact OD2-CG 3.25Å; D159-Q186 WeakPolarHBondContact OD2-CG 3.48Å
160E87.3Confident80.7Confident115 Ų11577.1 Ų77.154%0.53739%0.385SS..  trans-47.2134.3163.3-175.1-174.9177.300109.9S184 A185 K224E160-S184 CarbonylContact O-C 3.54Å; E160-A185 HydrophobicContact CB-CB 4.2Å; E160-A185 HydrophobicContact CG-CB 4.4Å; E160-A185 VanDerWaalsContact O-CB 3.29Å; E160-A185 WeakPolarHBondContact O-CB 3.2Å; E160-A185 PolarHBondContact O-N 2.85Å; E160-K224 IonicContact OE2-NZ 3.34Å; E160-K224 PolarHBondContact OE2-NZ 3Å
161Q90.3Very high82.4Confident42 Ų4274.2 Ų74.220%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-106.6137.6-174.9-59.4-69.4-55.600111.3D159 R182 C183D159-Q161 PolarHBondContact O-N 2.93Å; D159-Q161 PolarHBondContact O-NE2 3.39Å; Q161-R182 HydrophobicContact CB-CG 4Å; Q161-C183 CarbonylContact C-O 3.5Å; Q161-C183 WeakPolarHBondContact CA-O 3.44Å; Q161-C183 PolarHBondContact OE1-O 2.97Å
162V93.3Very high84Confident16 Ų1675 Ų7510%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-109.4135.1174.4178.30000109.8I164 R182 C183 A185 L223 V227 L238V162-I164 HydrophobicContact CG1-CG1 4.04Å; V162-R182 WeakPolarHBondContact O-CA 3.48Å; V162-C183 PolarHBondContact N-O 2.89Å; V162-C183 PolarHBondContact O-N 2.93Å; V162-A185 HydrophobicContact CG2-CB 3.63Å; V162-L223 HydrophobicContact CB-CB 4.48Å; V162-L223 HydrophobicContact CG2-CB 4.37Å; V162-V227 HydrophobicContact CG1-CG2 3.85Å; V162-V227 HydrophobicContact CG2-CG2 4.29Å; V162-L238 HydrophobicContact CG1-CB 4.34Å; V162-L238 HydrophobicContact CG1-CD2 4.46Å
163S94.4Very high85.6Confident41 Ų4169 Ų6929%0.28735%0.354SS..EExtended strand (participates in β ladder)trans-95.2129171.3-60.80000110.1I181 P237 L238S163-I181 CarbonylContact C-O 3.59Å; S163-I181 WeakPolarHBondContact CA-O 3.39Å; S163-P237 WeakPolarHBondContact O-CA 3.46Å; S163-L238 PolarHBondContact O-N 3.2Å
164I96.3Very high86.8Confident0 Ų075.3 Ų75.30%037%0.371CS..EExtended strand (participates in β ladder)trans-126.7138.8-172-48.5168000109.2V162 L166 W180 I181 L192 L223 L238 L240V162-I164 HydrophobicContact CG1-CG1 4.04Å; I164-L166 HydrophobicContact CG2-CD2 4.23Å; I164-L166 HydrophobicContact CG2-CG 4.32Å; I164-W180 WeakPolarHBondContact O-CA 3.2Å; I164-I181 PolarHBondContact N-O 2.91Å; I164-I181 PolarHBondContact O-N 3.37Å; I164-L192 HydrophobicContact CD1-CD1 4.1Å; I164-L192 HydrophobicContact CD1-CD2 4.02Å; I164-L223 HydrophobicContact CD1-CD1 3.31Å; I164-L223 HydrophobicContact CD1-CD2 3.85Å; I164-L223 HydrophobicContact CD1-CG 4.2Å; I164-L223 HydrophobicContact CG1-CD1 4.34Å; I164-L238 CarbonylContact C-O 3.55Å; I164-L238 VanDerWaalsContact CA-O 3.28Å; I164-L238 WeakPolarHBondContact CA-O 3.47Å; I164-L238 WeakPolarHBondContact CG2-O 3.28Å; I164-L240 HydrophobicContact CG2-CB 4.44Å; I164-L240 HydrophobicContact CG2-CD1 3.74Å; I164-L240 HydrophobicContact CG2-CG 3.99Å
165C96.7Very high87.5Confident5 Ų575.3 Ų75.33%0.03438%0.383CS..EExtended strand (participates in β ladder)trans-109124.2165.1-172.10000109.1K179 W180 P237 L238 L239 L240C165-K179 CarbonylContact C-O 3.59Å; C165-K179 WeakPolarHBondContact CA-O 3.36Å; C165-W180 HydrophobicContact CB-CD2 4.47Å; C165-W180 HydrophobicContact CB-CE3 4.26Å; C165-W180 HydrophobicContact CB-CH2 4.37Å; C165-W180 HydrophobicContact CB-CZ3 4.27Å; C165-P237 HydrophobicContact CB-CB 4.33Å; C165-P237 HydrophobicContact CB-CG 4.02Å; C165-L238 PolarHBondContact N-O 3.4Å; C165-L239 HydrophobicContact CB-CD1 3.97Å; C165-L240 PolarHBondContact O-N 2.89Å
166L96.4Very high88.1Confident0 Ų066.9 Ų66.90%035%0.35CS..EExtended strand (participates in β ladder)trans-103.7115.3177.8-69.2175000110.8I164 L176 K179 I181 F195 I196 L240 Y242I164-L166 HydrophobicContact CG2-CD2 4.23Å; I164-L166 HydrophobicContact CG2-CG 4.32Å; L166-L176 HydrophobicContact CB-CD1 3.96Å; L166-L176 HydrophobicContact CD1-CD1 3.73Å; L166-K179 PolarHBondContact N-O 3.09Å; L166-K179 VanDerWaalsContact O-CB 3.3Å; L166-K179 WeakPolarHBondContact O-CB 3.38Å; L166-K179 WeakPolarHBondContact O-CG 3.35Å; L166-I181 HydrophobicContact CD1-CD1 3.44Å; L166-I181 VanDerWaalsContact CD1-CD1 3.44Å; L166-I181 HydrophobicContact CD1-CG1 4.4Å; L166-I181 HydrophobicContact CG-CD1 4.39Å; L166-F195 HydrophobicContact CD1-CD1 4.48Å; L166-I196 HydrophobicContact CD1-CD1 4Å; L166-I196 HydrophobicContact CD1-CG1 3.92Å; L166-I196 HydrophobicContact CD2-CD1 4.11Å; L166-L240 WeakPolarHBondContact CA-O 3.34Å; L166-L240 HydrophobicContact CD2-CB 3.97Å; L166-L240 HydrophobicContact CD2-CD1 4.46Å; L166-Y242 HydrophobicContact CB-CD1 4.3Å; L166-Y242 HydrophobicContact CB-CE1 4.39Å
167E94.9Very high88.4Confident74 Ų7471.8 Ų71.835%0.34637%0.37SS..EExtended strand (participates in β ladder)trans-115.3140.4177.9-68.8-167.9166.300111.8K179 L239 L240 H241 Y242E167-K179 HydrophobicContact CG-CD 4.45Å; E167-L239 HydrophobicContact CB-CD1 4.37Å; E167-L239 HydrophobicContact CG-CD1 3.85Å; E167-L240 PolarHBondContact N-O 2.94Å; E167-H241 CarbonylContact O-C 3.5Å; E167-H241 VanDerWaalsContact O-CA 3.29Å; E167-H241 WeakPolarHBondContact O-CA 3.34Å; E167-H241 IonicContact OE2-NE2 3.8Å; E167-Y242 WeakPolarHBondContact O-CD1 3.38Å; E167-Y242 PolarHBondContact O-N 3.38Å
168C93.4Very high89.1Confident37 Ų3775.9 Ų75.925%0.2539%0.385CS..EExtended strand (participates in β ladder)trans-82.9122.5177.7-165.70000109.3S170 Y242C168-S170 PolarHBondContact SG-O 3.46Å; C168-S170 VanDerWaalsContact SG-O 3.36Å; C168-Y242 HydrophobicContact CB-CE1 3.94Å; C168-Y242 HydrophobicContact CB-CE2 3.89Å; C168-Y242 WeakPolarHBondContact CB-OH 3.33Å
169N89.2Confident89.9Confident71 Ų7175.3 Ų75.338%0.3837%0.371SS..  trans-103.638.1176.3-168.211.3000111.2H241 Y242N169-H241 HydrophobicContact CB-CB 3.98Å; N169-Y242 PolarHBondContact N-O 2.68Å
170S84.8Confident90.3Very high35 Ų3581.8 Ų81.825%0.24539%0.393CS..  trans-154.1141178.4-170.90000111.5C168 K172C168-S170 PolarHBondContact SG-O 3.46Å; C168-S170 VanDerWaalsContact SG-O 3.36Å; S170-K172 VanDerWaalsContact C-N 3.26Å; S170-K172 PolarHBondContact OG-N 3.18Å
171S80.4Confident90.6Very high124 Ų12477.9 Ų77.987%0.86738%0.375SS*.THydrogen-bonded Turntrans-75.2-15.5169.353.20000113.2
172K80.9Confident90.6Very high166 Ų16681.3 Ų81.372%0.72239%0.387SS*.THydrogen-bonded Turntrans-79.1-18.1-178.3-61.7-177.7-179.3179.50113.2S170 P244S170-K172 VanDerWaalsContact C-N 3.26Å; S170-K172 PolarHBondContact OG-N 3.18Å; K172-P244 HydrophobicContact CB-CG 4.16Å
173L83.8Confident90.6Very high31 Ų3182 Ų8216%0.16239%0.391CS..SBendtrans-115.3147.5178.8-68177.7000111L202 L208 Y242 P244L173-L202 HydrophobicContact CD2-CD2 4.25Å; L173-L208 HydrophobicContact CD1-CD2 3.59Å; L173-Y242 HydrophobicContact CD1-CD2 4.24Å; L173-Y242 HydrophobicContact CD1-CE2 4.3Å; L173-P244 VanDerWaalsContact CD1-CD 3.43Å; L173-P244 HydrophobicContact CD1-CG 3.66Å; L173-P244 HydrophobicContact CD2-CG 4.27Å; L173-P244 HydrophobicContact CG-CG 3.61Å
174R86.5Confident90.6Very high217 Ų21780.8 Ų80.882%0.81938%0.383SS*.PPolyproline II helixtrans-72.8141.4170-62.4-174-172.6-143.93.3110.1L200 Y242R174-L200 WeakPolarHBondContact O-CD2 3.31Å; R174-Y242 PolarHBondContact O-OH 3.49Å
175G89.3Confident90.5Very high48 Ų4880.8 Ų80.850%0.49538%0.383SS..PPolyproline II helixtrans-66.3143.4171.300000112K177 Y242G175-K177 PolarHBondContact O-N 2.8Å; G175-Y242 VanDerWaalsContact CA-OH 3.27Å; G175-Y242 WeakPolarHBondContact CA-OH 3.39Å
176L90.6Very high90.4Very high10 Ų1085.1 Ų85.15%0.05240%0.403CS..PPolyproline II helixtrans-63.4131.8169.2-69.8174.4000110.4L166 R178 K179 F195 I196 K199 L200 Y242L166-L176 HydrophobicContact CB-CD1 3.96Å; L166-L176 HydrophobicContact CD1-CD1 3.73Å; L176-R178 VanDerWaalsContact C-N 3.29Å; L176-R178 PolarHBondContact O-N 3.28Å; L176-K179 HydrophobicContact CB-CG 4.41Å; L176-K179 VanDerWaalsContact O-CG 3.3Å; L176-K179 WeakPolarHBondContact O-CG 3.49Å; L176-F195 HydrophobicContact CD1-CE1 4.44Å; L176-I196 HydrophobicContact CD1-CG1 4.32Å; L176-K199 HydrophobicContact CD2-CB 3.58Å; L176-K199 HydrophobicContact CD2-CG 4.4Å; L176-L200 HydrophobicContact CD2-CD2 3.85Å; L176-L200 HydrophobicContact CD2-CG 4.05Å; L176-Y242 HydrophobicContact CD1-CE1 4.17Å; L176-Y242 HydrophobicContact CG-CE1 4.2Å; L176-Y242 PolarHBondContact N-OH 2.93Å
177K88.6Confident90.4Very high215 Ų21585.9 Ų85.994%0.93541%0.409SS*.SBendtrans-63.2-36.6173-172177.4-177.6177.50111.9G175G175-K177 PolarHBondContact O-N 2.8Å
178R90.4Very high90.5Very high213 Ų21383.5 Ų83.580%0.80440%0.4SS*.  trans-115.7100.2174.9-66.8-176.1-178.4172.71108.6L176L176-R178 VanDerWaalsContact C-N 3.29Å; L176-R178 PolarHBondContact O-N 3.28Å
179K93.8Very high90.7Very high84 Ų8481.7 Ų81.737%0.36539%0.388SS..  trans-84.6-17.5-175.6-59.8-175.5-177-178.40113.5C165 L166 E167 L176C165-K179 CarbonylContact C-O 3.59Å; C165-K179 WeakPolarHBondContact CA-O 3.36Å; L166-K179 PolarHBondContact N-O 3.09Å; L166-K179 VanDerWaalsContact O-CB 3.3Å; L166-K179 WeakPolarHBondContact O-CB 3.38Å; L166-K179 WeakPolarHBondContact O-CG 3.35Å; E167-K179 HydrophobicContact CG-CD 4.45Å; L176-K179 HydrophobicContact CB-CG 4.41Å; L176-K179 VanDerWaalsContact O-CG 3.3Å; L176-K179 WeakPolarHBondContact O-CG 3.49Å
180W94.2Very high91.1Very high173 Ų17380 Ų8066%0.65538%0.378SS*.EExtended strand (participates in β ladder)trans-97.3127.7-173.3-58.986.4000110.4I164 C165 P237I164-W180 WeakPolarHBondContact O-CA 3.2Å; C165-W180 HydrophobicContact CB-CD2 4.47Å; C165-W180 HydrophobicContact CB-CE3 4.26Å; C165-W180 HydrophobicContact CB-CH2 4.37Å; C165-W180 HydrophobicContact CB-CZ3 4.27Å; W180-P237 HydrophobicContact CE3-CB 4.32Å; W180-P237 HydrophobicContact CE3-CG 4.27Å; W180-P237 HydrophobicContact CH2-CG 3.83Å; W180-P237 HydrophobicContact CZ3-CB 3.81Å; W180-P237 HydrophobicContact CZ3-CG 3.35Å
181I93.9Very high91.6Very high33 Ų3383.1 Ų83.117%0.16939%0.389CS..EExtended strand (participates in β ladder)trans-132141.8179.2-56178.9000108.5S163 I164 L166 C183 F195S163-I181 CarbonylContact C-O 3.59Å; S163-I181 WeakPolarHBondContact CA-O 3.39Å; I164-I181 PolarHBondContact N-O 2.91Å; I164-I181 PolarHBondContact O-N 3.37Å; L166-I181 HydrophobicContact CD1-CD1 3.44Å; L166-I181 VanDerWaalsContact CD1-CD1 3.44Å; L166-I181 HydrophobicContact CD1-CG1 4.4Å; L166-I181 HydrophobicContact CG-CD1 4.39Å; I181-C183 HydrophobicContact CG2-CB 4.45Å; I181-F195 HydrophobicContact CD1-CD1 3.63Å; I181-F195 HydrophobicContact CD1-CE1 3.26Å; I181-F195 HydrophobicContact CD1-CG 4.42Å; I181-F195 HydrophobicContact CD1-CZ 3.74Å; I181-F195 HydrophobicContact CG1-CE1 4.29Å; I181-F195 HydrophobicContact CG1-CZ 4.42Å
182R91.4Very high92.4Very high115 Ų11577.5 Ų77.543%0.43435%0.349SS..EExtended strand (participates in β ladder)trans-124.4128.5164.4-174.5172.6175.6-170.1-5.7109.1D84 Q161 V162D84-R182 IonicContact OD2-CZ 3.11Å; D84-R182 IonicContact OD2-NH1 2.6Å; D84-R182 PolarHBondContact OD2-NH1 3.19Å; D84-R182 IonicContact OD2-NH2 2.81Å; D84-R182 PolarHBondContact OD2-NH2 3.36Å; Q161-R182 HydrophobicContact CB-CG 4Å; V162-R182 WeakPolarHBondContact O-CA 3.48Å
183C92.9Very high93.1Very high29 Ų2970.7 Ų70.720%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-153.1173-17957.20000111Q161 V162 I181 A185 L223Q161-C183 CarbonylContact C-O 3.5Å; Q161-C183 WeakPolarHBondContact CA-O 3.44Å; Q161-C183 PolarHBondContact OE1-O 2.97Å; V162-C183 PolarHBondContact N-O 2.89Å; V162-C183 PolarHBondContact O-N 2.93Å; I181-C183 HydrophobicContact CG2-CB 4.45Å; C183-A185 PolarHBondContact O-N 2.57Å; C183-L223 VanDerWaalsContact SG-CD1 3.51Å
184S93.9Very high93.6Very high16 Ų1673.9 Ų73.911%0.11233%0.332CS..EExtended strand (participates in β ladder)trans-53.1138.3175.4160.40000111.2D159 E160 Q186 A187D159-S184 VanDerWaalsContact CB-OG 3.3Å; D159-S184 WeakPolarHBondContact CB-OG 2.98Å; D159-S184 WeakPolarHBondContact OD2-CB 2.93Å; D159-S184 PolarHBondContact OD2-OG 3.34Å; E160-S184 CarbonylContact O-C 3.54Å; S184-Q186 PolarHBondContact O-N 2.83Å; S184-Q186 WeakPolarHBondContact OG-CB 3.11Å; S184-Q186 PolarHBondContact OG-N 3.39Å; S184-A187 VanDerWaalsContact O-CB 3.24Å; S184-A187 WeakPolarHBondContact O-CB 3.31Å; S184-A187 PolarHBondContact O-N 2.85Å
185A94.8Very high94Very high1 Ų166.9 Ų66.91%0.00831%0.308CS..THydrogen-bonded Turntrans-62.4-19.7172.800000112.4E160 V162 C183 A187 L223 K224E160-A185 HydrophobicContact CB-CB 4.2Å; E160-A185 HydrophobicContact CG-CB 4.4Å; E160-A185 VanDerWaalsContact O-CB 3.29Å; E160-A185 WeakPolarHBondContact O-CB 3.2Å; E160-A185 PolarHBondContact O-N 2.85Å; V162-A185 HydrophobicContact CG2-CB 3.63Å; C183-A185 PolarHBondContact O-N 2.57Å; A185-A187 VanDerWaalsContact C-N 3.33Å; A185-L223 PolarHBondContact O-N 3.05Å; A185-K224 HydrophobicContact CB-CB 3.97Å; A185-K224 PolarHBondContact O-N 2.63Å
186Q95.1Very high94.3Very high95 Ų9564.6 Ų64.644%0.44428%0.284SS..THydrogen-bonded Turntrans-79.8-13.2173.8-57.8-61.8-19.500113D159 S184 T188D159-Q186 VanDerWaalsContact OD2-CG 3.25Å; D159-Q186 WeakPolarHBondContact OD2-CG 3.48Å; S184-Q186 PolarHBondContact O-N 2.83Å; S184-Q186 WeakPolarHBondContact OG-CB 3.11Å; S184-Q186 PolarHBondContact OG-N 3.39Å; Q186-T188 PolarHBondContact O-N 2.89Å
187A96.3Very high94.4Very high16 Ų1664.5 Ų64.513%0.13229%0.285CS..  trans-58.6143.9172.700000109.9S184 A185 T222 L223S184-A187 VanDerWaalsContact O-CB 3.24Å; S184-A187 WeakPolarHBondContact O-CB 3.31Å; S184-A187 PolarHBondContact O-N 2.85Å; A185-A187 VanDerWaalsContact C-N 3.33Å; A187-T222 CarbonylContact O-C 3.54Å; A187-T222 WeakPolarHBondContact O-CA 3.28Å; A187-L223 HydrophobicContact CB-CD1 4Å; A187-L223 VanDerWaalsContact O-CG 3.32Å; A187-L223 WeakPolarHBondContact O-CG 3.08Å; A187-L223 PolarHBondContact O-N 2.87Å
188T97.2Very high94.7Very high24 Ų2462.3 Ų62.315%0.14728%0.275CS..BIsolated β-bridgetrans-101.5165.2-177.758.60000111.4Q186 L190 H191 L192 H221 T222Q186-T188 PolarHBondContact O-N 2.89Å; T188-L190 PolarHBondContact O-N 2.84Å; T188-H191 PolarHBondContact N-ND1 2.88Å; T188-H191 VanDerWaalsContact N-ND1 3.15Å; T188-H191 WeakPolarHBondContact O-CB 3.24Å; T188-H191 PolarHBondContact O-N 3.39Å; T188-H191 PolarHBondContact OG1-N 3.28Å; T188-H191 PolarHBondContact OG1-ND1 3.47Å; T188-L192 PolarHBondContact O-N 2.7Å; T188-H221 CarbonylContact C-O 3.51Å; T188-H221 VanDerWaalsContact CA-O 3.23Å; T188-H221 WeakPolarHBondContact CA-O 3.47Å; T188-T222 HydrophobicContact CG2-CG2 4.23Å
189V96.9Very high94.8Very high0 Ų058.3 Ų58.30%026%0.264CS..Hα-helixtrans-56.5-34170.8175.20000110.9H191 L192 K193 I210 L217 G218 H221 V226V189-H191 VanDerWaalsContact C-N 3.35Å; V189-H191 PolarHBondContact O-N 3.29Å; V189-L192 WeakPolarHBondContact O-CB 3.25Å; V189-L192 PolarHBondContact O-N 3.14Å; V189-K193 HydrophobicContact CG1-CG 4.47Å; V189-K193 WeakPolarHBondContact O-CG 3.39Å; V189-K193 PolarHBondContact O-N 3.08Å; V189-I210 HydrophobicContact CG1-CB 4.11Å; V189-I210 HydrophobicContact CG1-CD1 4.11Å; V189-I210 HydrophobicContact CG1-CG1 4.5Å; V189-L217 HydrophobicContact CG1-CB 4.05Å; V189-L217 HydrophobicContact CG2-CB 3.8Å; V189-L217 HydrophobicContact CG2-CD1 3.94Å; V189-G218 WeakPolarHBondContact CB-O 3.47Å; V189-H221 HydrophobicContact CG2-CB 4.01Å; V189-H221 PolarHBondContact N-O 3.22Å; V189-V226 HydrophobicContact CG2-CG2 4.37Å
190L96.8Very high94.6Very high35 Ų3556 Ų5618%0.18326%0.255CS..Hα-helixtrans-58.9-43172.6-179.961.5000112.5T188 L192 K193 K194 F205 K219T188-L190 PolarHBondContact O-N 2.84Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.75Å; L190-K193 PolarHBondContact O-N 2.93Å; L190-K194 HydrophobicContact CD1-CG 4.47Å; L190-K194 HydrophobicContact CG-CD 4.42Å; L190-K194 WeakPolarHBondContact O-CG 2.98Å; L190-K194 PolarHBondContact O-N 2.85Å; L190-F205 HydrophobicContact CD1-CD2 3.77Å; L190-F205 HydrophobicContact CD1-CE2 3.45Å; L190-F205 VanDerWaalsContact CD1-CE2 3.45Å; L190-F205 HydrophobicContact CD1-CZ 4.21Å; L190-K219 HydrophobicContact CB-CB 4.3Å; L190-K219 WeakPolarHBondContact CB-O 3.22Å; L190-K219 PolarHBondContact N-O 3.5Å
191H96.4Very high94.5Very high100 Ų10054.9 Ų54.946%0.46326%0.262SS..Hα-helixtrans-61-40.9175.5-61.9143.2000111.2T188 V189 K194 F195T188-H191 PolarHBondContact N-ND1 2.88Å; T188-H191 VanDerWaalsContact N-ND1 3.15Å; T188-H191 WeakPolarHBondContact O-CB 3.24Å; T188-H191 PolarHBondContact O-N 3.39Å; T188-H191 PolarHBondContact OG1-N 3.28Å; T188-H191 PolarHBondContact OG1-ND1 3.47Å; V189-H191 VanDerWaalsContact C-N 3.35Å; V189-H191 PolarHBondContact O-N 3.29Å; H191-K194 PolarHBondContact O-N 2.75Å; H191-F195 WeakPolarHBondContact O-CB 3.43Å; H191-F195 PolarHBondContact O-N 3.35Å
192L96.2Very high94.2Very high6 Ų655.6 Ų55.63%0.03127%0.266CS..Hα-helixtrans-64.6-44174-64.1-172.3000112.4I164 T188 V189 L190 K194 F195 I196 I210 L223 L240I164-L192 HydrophobicContact CD1-CD1 4.1Å; I164-L192 HydrophobicContact CD1-CD2 4.02Å; T188-L192 PolarHBondContact O-N 2.7Å; V189-L192 WeakPolarHBondContact O-CB 3.25Å; V189-L192 PolarHBondContact O-N 3.14Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.75Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.1Å; L192-F195 WeakPolarHBondContact O-CB 3.29Å; L192-F195 PolarHBondContact O-N 3.22Å; L192-I196 VanDerWaalsContact O-CG1 3.28Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.45Å; L192-I210 HydrophobicContact CB-CD1 3.53Å; L192-I210 HydrophobicContact CD1-CD1 4.48Å; L192-L223 HydrophobicContact CD1-CD2 3.76Å; L192-L223 HydrophobicContact CG-CD2 4.43Å; L192-L240 HydrophobicContact CD1-CD1 3.54Å
193K95.5Very high94Very high23 Ų2356.3 Ų56.310%0.128%0.283CS..Hα-helixtrans-57.6-47.9176.5-72.7-168.7178.6-157.70111V189 L190 F195 I196 A197 F205 L208 D209 I210V189-K193 HydrophobicContact CG1-CG 4.47Å; V189-K193 WeakPolarHBondContact O-CG 3.39Å; V189-K193 PolarHBondContact O-N 3.08Å; L190-K193 PolarHBondContact O-N 2.93Å; K193-F195 VanDerWaalsContact C-N 3.35Å; K193-F195 PolarHBondContact O-N 2.78Å; K193-I196 PolarHBondContact O-N 3.48Å; K193-A197 WeakPolarHBondContact O-CB 3.29Å; K193-A197 PolarHBondContact O-N 3.46Å; K193-F205 HydrophobicContact CB-CB 4.25Å; K193-L208 WeakPolarHBondContact CD-O 3.14Å; K193-L208 WeakPolarHBondContact CE-O 3.47Å; K193-L208 PolarHBondContact NZ-O 3.18Å; K193-D209 IonicContact NZ-OD1 2.9Å; K193-D209 PolarHBondContact NZ-OD1 3.23Å; K193-I210 HydrophobicContact CB-CD1 4.44Å; K193-I210 HydrophobicContact CG-CD1 3.62Å; K193-I210 HydrophobicContact CG-CG1 3.95Å
194K95.3Very high93.8Very high98 Ų9856.6 Ų56.643%0.42629%0.286SS..Hα-helixtrans-60-43175.6-72.1177.4178179.60112L190 H191 L192 K198 F205L190-K194 HydrophobicContact CD1-CG 4.47Å; L190-K194 HydrophobicContact CG-CD 4.42Å; L190-K194 WeakPolarHBondContact O-CG 2.98Å; L190-K194 PolarHBondContact O-N 2.85Å; H191-K194 PolarHBondContact O-N 2.75Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.1Å; K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 2.97Å; K194-F205 HydrophobicContact CG-CB 4.33Å; K194-F205 HydrophobicContact CG-CD1 3.97Å; K194-F205 HydrophobicContact CG-CD2 4.47Å; K194-F205 HydrophobicContact CG-CE1 4.45Å; K194-F205 HydrophobicContact CG-CG 3.99Å
195F95.3Very high93.5Very high71 Ų7159 Ų5931%0.31129%0.294SS..Hα-helixtrans-61.7-49.4177.7173.1-91.9000112L166 L176 I181 H191 L192 K193 K198 K199L166-F195 HydrophobicContact CD1-CD1 4.48Å; L176-F195 HydrophobicContact CD1-CE1 4.44Å; I181-F195 HydrophobicContact CD1-CD1 3.63Å; I181-F195 HydrophobicContact CD1-CE1 3.26Å; I181-F195 HydrophobicContact CD1-CG 4.42Å; I181-F195 HydrophobicContact CD1-CZ 3.74Å; I181-F195 HydrophobicContact CG1-CE1 4.29Å; I181-F195 HydrophobicContact CG1-CZ 4.42Å; H191-F195 WeakPolarHBondContact O-CB 3.43Å; H191-F195 PolarHBondContact O-N 3.35Å; L192-F195 WeakPolarHBondContact O-CB 3.29Å; L192-F195 PolarHBondContact O-N 3.22Å; K193-F195 VanDerWaalsContact C-N 3.35Å; K193-F195 PolarHBondContact O-N 2.78Å; F195-K198 PolarHBondContact O-N 3.32Å; F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CD2-CG 4.35Å; F195-K199 HydrophobicContact CE1-CG 3.78Å; F195-K199 HydrophobicContact CE2-CD 4.4Å; F195-K199 HydrophobicContact CE2-CG 3.92Å; F195-K199 HydrophobicContact CZ-CD 4.24Å; F195-K199 HydrophobicContact CZ-CG 3.62Å; F195-K199 WeakPolarHBondContact O-CB 3.3Å; F195-K199 WeakPolarHBondContact O-CG 3.39Å; F195-K199 PolarHBondContact O-N 2.76Å
196I94.2Very high93.1Very high0 Ų063.6 Ų63.60%032%0.319CS..Hα-helixtrans-63.2-47.3-179.3-63.3168000110L166 L176 L192 K193 K198 K199 L200 L208 I210 Y242L166-I196 HydrophobicContact CD1-CD1 4Å; L166-I196 HydrophobicContact CD1-CG1 3.92Å; L166-I196 HydrophobicContact CD2-CD1 4.11Å; L176-I196 HydrophobicContact CD1-CG1 4.32Å; L192-I196 VanDerWaalsContact O-CG1 3.28Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.45Å; K193-I196 PolarHBondContact O-N 3.48Å; I196-K198 VanDerWaalsContact C-N 3.32Å; I196-K198 PolarHBondContact O-N 3.47Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.1Å; I196-L200 HydrophobicContact CG2-CD1 3.66Å; I196-L200 HydrophobicContact CG2-CG 4.23Å; I196-L200 WeakPolarHBondContact O-CB 3.33Å; I196-L200 WeakPolarHBondContact O-CG 3.22Å; I196-L200 PolarHBondContact O-N 2.96Å; I196-L208 HydrophobicContact CB-CD1 3.9Å; I196-L208 HydrophobicContact CG2-CD1 3.66Å; I196-I210 HydrophobicContact CD1-CD1 3.88Å; I196-I210 HydrophobicContact CD1-CG1 4.29Å; I196-Y242 HydrophobicContact CD1-CD1 4.2Å; I196-Y242 HydrophobicContact CD1-CG 4.01Å; I196-Y242 HydrophobicContact CG2-CD2 3.93Å; I196-Y242 HydrophobicContact CG2-CE2 4.1Å; I196-Y242 HydrophobicContact CG2-CG 4.29Å
197A93.7Very high92.6Very high7 Ų763.2 Ų63.26%0.05832%0.317CS..Hα-helixtrans-56.1-46.4177.100000111.7K193 K199 L200 N201 L202 F205 L208K193-A197 WeakPolarHBondContact O-CB 3.29Å; K193-A197 PolarHBondContact O-N 3.46Å; A197-K199 PolarHBondContact O-N 3.43Å; A197-L200 PolarHBondContact O-N 3.39Å; A197-N201 WeakPolarHBondContact O-CA 3.42Å; A197-N201 PolarHBondContact O-N 3Å; A197-L202 HydrophobicContact CB-CB 4.24Å; A197-L202 PolarHBondContact O-N 3.44Å; A197-F205 HydrophobicContact CB-CB 3.88Å; A197-L208 HydrophobicContact CB-CD1 4.12Å
198K93.8Very high92.4Very high170 Ų17062.5 Ų62.574%0.73931%0.31SS*.Hα-helixtrans-63.5-39.2176-174.9173.6-177.1173.90112.7K194 F195 I196 N201K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 2.97Å; F195-K198 PolarHBondContact O-N 3.32Å; I196-K198 VanDerWaalsContact C-N 3.32Å; I196-K198 PolarHBondContact O-N 3.47Å; K198-N201 PolarHBondContact O-OD1 3.46Å
199K92.7Very high92.2Very high129 Ų12962.1 Ų62.156%0.56131%0.307SS*.Hα-helixtrans-74.2-26.5-179.7-73.9-63.3-179.4-171.40113.8L176 F195 I196 A197L176-K199 HydrophobicContact CD2-CB 3.58Å; L176-K199 HydrophobicContact CD2-CG 4.4Å; F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CD2-CG 4.35Å; F195-K199 HydrophobicContact CE1-CG 3.78Å; F195-K199 HydrophobicContact CE2-CD 4.4Å; F195-K199 HydrophobicContact CE2-CG 3.92Å; F195-K199 HydrophobicContact CZ-CD 4.24Å; F195-K199 HydrophobicContact CZ-CG 3.62Å; F195-K199 WeakPolarHBondContact O-CB 3.3Å; F195-K199 WeakPolarHBondContact O-CG 3.39Å; F195-K199 PolarHBondContact O-N 2.76Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.1Å; A197-K199 PolarHBondContact O-N 3.43Å
200L91.1Very high92.2Very high35 Ų3562.1 Ų62.118%0.18331%0.307CS..Hα-helixtrans-98.52.5177.5-61.6-178.6000112.9R174 L176 I196 A197 L202 Y242R174-L200 WeakPolarHBondContact O-CD2 3.31Å; L176-L200 HydrophobicContact CD2-CD2 3.85Å; L176-L200 HydrophobicContact CD2-CG 4.05Å; I196-L200 HydrophobicContact CG2-CD1 3.66Å; I196-L200 HydrophobicContact CG2-CG 4.23Å; I196-L200 WeakPolarHBondContact O-CB 3.33Å; I196-L200 WeakPolarHBondContact O-CG 3.22Å; I196-L200 PolarHBondContact O-N 2.96Å; A197-L200 PolarHBondContact O-N 3.39Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 HydrophobicContact CB-CD1 4.39Å; L200-L202 HydrophobicContact CB-CD2 4.2Å; L200-L202 HydrophobicContact CB-CG 3.94Å; L200-L202 PolarHBondContact O-N 3.46Å; L200-Y242 HydrophobicContact CD1-CE2 3.73Å
201N90.4Very high92.1Very high149 Ų14960.5 Ų60.580%0.79730%0.299SS*.THydrogen-bonded Turntrans52.544.7-176.2-62.7-32.4000113.2A197 K198A197-N201 WeakPolarHBondContact O-CA 3.42Å; A197-N201 PolarHBondContact O-N 3Å; K198-N201 PolarHBondContact O-OD1 3.46Å
202L88.9Confident92.1Very high48 Ų4855.7 Ų55.725%0.25128%0.277SS..  trans-81.4152.8175.9-54.2-179.4000111.2L173 A197 L200 L208L173-L202 HydrophobicContact CD2-CD2 4.25Å; A197-L202 HydrophobicContact CB-CB 4.24Å; A197-L202 PolarHBondContact O-N 3.44Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 HydrophobicContact CB-CD1 4.39Å; L200-L202 HydrophobicContact CB-CD2 4.2Å; L200-L202 HydrophobicContact CB-CG 3.94Å; L200-L202 PolarHBondContact O-N 3.46Å; L202-L208 HydrophobicContact CD1-CD1 3.78Å; L202-L208 HydrophobicContact CD1-CD2 3.8Å; L202-L208 HydrophobicContact CD1-CG 3.81Å
203T86.9Confident91.9Very high131 Ų13158.7 Ų58.780%0.80429%0.293SS*.SBendtrans-65.1-40.5177.731.50000112.9E207T203-E207 PolarHBondContact OG1-OE1 3.26Å; T203-E207 PolarHBondContact OG1-OE2 2.79Å
204S88.6Confident91.7Very high35 Ų3563.1 Ų63.125%0.24531%0.314CS..  trans-143.6142.9-179.9-175.80000112.5N206 E207S204-N206 PolarHBondContact O-N 2.64Å; S204-N206 PolarHBondContact OG-N 2.79Å; S204-E207 PolarHBondContact N-OE1 3.03Å; S204-E207 PolarHBondContact O-N 2.85Å
205F87.4Confident91.6Very high67 Ų6763.5 Ų63.529%0.29432%0.317SS..G310 helixtrans-73.7-12.7172.465.4-94.8000112.9L190 K193 K194 A197 E207 L208L190-F205 HydrophobicContact CD1-CD2 3.77Å; L190-F205 HydrophobicContact CD1-CE2 3.45Å; L190-F205 VanDerWaalsContact CD1-CE2 3.45Å; L190-F205 HydrophobicContact CD1-CZ 4.21Å; K193-F205 HydrophobicContact CB-CB 4.25Å; K194-F205 HydrophobicContact CG-CB 4.33Å; K194-F205 HydrophobicContact CG-CD1 3.97Å; K194-F205 HydrophobicContact CG-CD2 4.47Å; K194-F205 HydrophobicContact CG-CE1 4.45Å; K194-F205 HydrophobicContact CG-CG 3.99Å; A197-F205 HydrophobicContact CB-CB 3.88Å; F205-E207 PolarHBondContact O-N 3.34Å; F205-L208 PolarHBondContact O-N 2.72Å
206N86.6Confident91.6Very high97 Ų9764.2 Ų64.252%0.51932%0.323SS..G310 helixtrans-72.2-17.3176.1-70.4-22.9000112.6S204 L208 K245S204-N206 PolarHBondContact O-N 2.64Å; S204-N206 PolarHBondContact OG-N 2.79Å; N206-L208 PolarHBondContact O-N 2.85Å; N206-K245 WeakPolarHBondContact O-CD 3.38Å
207E85.6Confident91.7Very high87 Ų8764.3 Ų64.341%0.40732%0.324SS..G310 helixtrans-80.46.5177.9-62.4167.3-150.500112.6T203 S204 F205 P244 K245T203-E207 PolarHBondContact OG1-OE1 3.26Å; T203-E207 PolarHBondContact OG1-OE2 2.79Å; S204-E207 PolarHBondContact N-OE1 3.03Å; S204-E207 PolarHBondContact O-N 2.85Å; F205-E207 PolarHBondContact O-N 3.34Å; E207-P244 CarbonylContact O-C 3.56Å; E207-P244 VanDerWaalsContact O-CA 3.31Å; E207-P244 WeakPolarHBondContact O-CA 3.24Å; E207-K245 PolarHBondContact O-N 2.94Å
208L91.1Very high91.7Very high0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-121.2138.1-177-70.9174000111.6L173 K193 I196 A197 L202 F205 N206L173-L208 HydrophobicContact CD1-CD2 3.59Å; K193-L208 WeakPolarHBondContact CD-O 3.14Å; K193-L208 WeakPolarHBondContact CE-O 3.47Å; K193-L208 PolarHBondContact NZ-O 3.18Å; I196-L208 HydrophobicContact CB-CD1 3.9Å; I196-L208 HydrophobicContact CG2-CD1 3.66Å; A197-L208 HydrophobicContact CB-CD1 4.12Å; L202-L208 HydrophobicContact CD1-CD1 3.78Å; L202-L208 HydrophobicContact CD1-CD2 3.8Å; L202-L208 HydrophobicContact CD1-CG 3.81Å; F205-L208 PolarHBondContact O-N 2.72Å; N206-L208 PolarHBondContact O-N 2.85Å
209D93.8Very high91.8Very high16 Ų1663.1 Ų63.19%0.08633%0.326CS..EExtended strand (participates in β ladder)trans-111.8141.5163.2-73.4-33.8000110.8K193 L211 I216 Y242 R243K193-D209 IonicContact NZ-OD1 2.9Å; K193-D209 PolarHBondContact NZ-OD1 3.23Å; D209-L211 HydrophobicContact CB-CD1 4.35Å; D209-I216 HydrophobicContact CB-CG2 4.46Å; D209-Y242 VanDerWaalsContact O-CA 3.31Å; D209-Y242 WeakPolarHBondContact O-CA 3.4Å; D209-R243 HydrophobicContact CB-CG 4.43Å; D209-R243 PolarHBondContact N-O 3.35Å; D209-R243 PolarHBondContact O-N 3.12Å
210I95.8Very high91.9Very high0 Ų062.3 Ų62.30%033%0.329CS..EExtended strand (participates in β ladder)trans-115.1131174.9-59.1-178.9000106.9V189 L192 K193 I196 L217 L240 H241V189-I210 HydrophobicContact CG1-CB 4.11Å; V189-I210 HydrophobicContact CG1-CD1 4.11Å; V189-I210 HydrophobicContact CG1-CG1 4.5Å; L192-I210 HydrophobicContact CB-CD1 3.53Å; L192-I210 HydrophobicContact CD1-CD1 4.48Å; K193-I210 HydrophobicContact CB-CD1 4.44Å; K193-I210 HydrophobicContact CG-CD1 3.62Å; K193-I210 HydrophobicContact CG-CG1 3.95Å; I196-I210 HydrophobicContact CD1-CD1 3.88Å; I196-I210 HydrophobicContact CD1-CG1 4.29Å; I210-L217 HydrophobicContact CG2-CD1 4.18Å; I210-L217 PolarHBondContact O-N 3.26Å; I210-L240 HydrophobicContact CG2-CB 4.04Å; I210-L240 HydrophobicContact CG2-CD1 4.1Å; I210-H241 CarbonylContact C-O 3.51Å; I210-H241 WeakPolarHBondContact CA-O 3.42Å
211L95.9Very high92.2Very high1 Ų163.1 Ų63.11%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-121.7148-175.7-56.691.2000110.9D209 E215 I216 L240 H241 R243D209-L211 HydrophobicContact CB-CD1 4.35Å; L211-E215 CarbonylContact C-O 3.51Å; L211-E215 WeakPolarHBondContact CA-O 3.47Å; L211-E215 WeakPolarHBondContact CB-O 3.34Å; L211-I216 HydrophobicContact CD2-CG1 3.97Å; L211-I216 HydrophobicContact CG-CG1 4.11Å; L211-L240 WeakPolarHBondContact O-CA 3.22Å; L211-H241 HydrophobicContact CB-CB 4.37Å; L211-H241 PolarHBondContact N-O 3.34Å; L211-H241 PolarHBondContact O-N 3.09Å; L211-R243 HydrophobicContact CD1-CG 3.76Å
212C95.6Very high92.6Very high0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-130.3123.5169.2-177.30000107.8E214 E215 L217 V226 L240C212-E214 VanDerWaalsContact C-N 3.31Å; C212-E214 PolarHBondContact O-N 3.28Å; C212-E215 PolarHBondContact N-O 2.93Å; C212-E215 PolarHBondContact O-N 2.94Å; C212-L217 HydrophobicContact CB-CD1 4.01Å; C212-L217 HydrophobicContact CB-CD2 3.92Å; C212-L217 HydrophobicContact CB-CG 4.14Å; C212-V226 HydrophobicContact CB-CG1 4.33Å; C212-L240 HydrophobicContact CB-CD2 3.64Å
213N91.9Very high92.9Very high68 Ų6855.5 Ų55.536%0.36429%0.292SS..THydrogen-bonded Turntrans52.646-173.4-50.1-43.8000112.8E215 R230 W231 K234N213-E215 PolarHBondContact O-N 3.15Å; N213-E215 VanDerWaalsContact O-N 3.09Å; N213-R230 PolarHBondContact ND2-O 2.95Å; N213-W231 VanDerWaalsContact OD1-CZ3 3.22Å; N213-W231 WeakPolarHBondContact OD1-CZ3 3.29Å; N213-K234 PolarHBondContact OD1-NZ 3.21Å
214E90.8Very high93.4Very high116 Ų11653.5 Ų53.554%0.54227%0.272SS..THydrogen-bonded Turntrans64.44-178.1-50.3-50.2107.500116.6C212 H241C212-E214 VanDerWaalsContact C-N 3.31Å; C212-E214 PolarHBondContact O-N 3.28Å; E214-H241 IonicContact OE1-CE1 3.99Å; E214-H241 IonicContact OE1-ND1 2.89Å; E214-H241 PolarHBondContact OE1-ND1 2.9Å
215E93.9Very high93.7Very high106 Ų10656.2 Ų56.250%0.49528%0.28SS..EExtended strand (participates in β ladder)trans-98.8137173-65.6-176.4176.200112.3L211 C212 N213 R230L211-E215 CarbonylContact C-O 3.51Å; L211-E215 WeakPolarHBondContact CA-O 3.47Å; L211-E215 WeakPolarHBondContact CB-O 3.34Å; C212-E215 PolarHBondContact N-O 2.93Å; C212-E215 PolarHBondContact O-N 2.94Å; N213-E215 PolarHBondContact O-N 3.15Å; N213-E215 VanDerWaalsContact O-N 3.09Å; E215-R230 IonicContact OE2-CZ 3.76Å; E215-R230 IonicContact OE2-NE 2.75Å; E215-R230 PolarHBondContact OE2-NE 2.97Å; E215-R230 IonicContact OE2-NH2 3.28Å; E215-R230 PolarHBondContact OE2-NH2 3.47Å
216I94.8Very high94.2Very high86 Ų8653 Ų5344%0.44127%0.266SS..EExtended strand (participates in β ladder)trans-70.2131.9176-59174.2000110.3D209 L211D209-I216 HydrophobicContact CB-CG2 4.46Å; L211-I216 HydrophobicContact CD2-CG1 3.97Å; L211-I216 HydrophobicContact CG-CG1 4.11Å
217L96.1Very high94.6Very high3 Ų350.6 Ų50.62%0.01625%0.254CS..PPolyproline II helixtrans-90.1133.5176.4-60-179.9000111.9V189 I210 C212 V226 L240V189-L217 HydrophobicContact CG1-CB 4.05Å; V189-L217 HydrophobicContact CG2-CB 3.8Å; V189-L217 HydrophobicContact CG2-CD1 3.94Å; I210-L217 HydrophobicContact CG2-CD1 4.18Å; I210-L217 PolarHBondContact O-N 3.26Å; C212-L217 HydrophobicContact CB-CD1 4.01Å; C212-L217 HydrophobicContact CB-CD2 3.92Å; C212-L217 HydrophobicContact CB-CG 4.14Å; L217-V226 HydrophobicContact CD1-CG1 3.95Å; L217-V226 HydrophobicContact CD1-CG2 3.98Å; L217-V226 HydrophobicContact CD2-CG1 4.23Å; L217-V226 HydrophobicContact CD2-CG2 4.15Å; L217-L240 HydrophobicContact CD1-CD2 3.85Å
218G94.8Very high95Very high32 Ų3250 Ų5033%0.3326%0.256SS..PPolyproline II helixtrans-63.6143.1171.600000112.2V189 D220 H221V189-G218 WeakPolarHBondContact CB-O 3.47Å; G218-D220 PolarHBondContact O-N 3Å; G218-H221 PolarHBondContact N-ND1 3.47Å; G218-H221 WeakPolarHBondContact O-CB 3.38Å; G218-H221 PolarHBondContact O-N 2.75Å
219K94.6Very high95.2Very high119 Ų11953.4 Ų53.452%0.51728%0.277SS..THydrogen-bonded Turntrans-59.4-31.4-17567.4-179.6-177.2176.70113.5L190L190-K219 HydrophobicContact CB-CB 4.3Å; L190-K219 WeakPolarHBondContact CB-O 3.22Å; L190-K219 PolarHBondContact N-O 3.5Å
220D96Very high95.2Very high113 Ų11355.4 Ų55.460%0.60428%0.284SS*.THydrogen-bonded Turntrans-91.6-3.6-175.3-53.8-52.8000112.8G218 T222G218-D220 PolarHBondContact O-N 3Å; D220-T222 PolarHBondContact O-N 2.87Å
221H97.1Very high95.1Very high52 Ų5256.8 Ų56.824%0.24129%0.289CS..  trans-65.2125.9174.6-66.7170000110.3T188 V189 G218 F225 V226T188-H221 CarbonylContact C-O 3.51Å; T188-H221 VanDerWaalsContact CA-O 3.23Å; T188-H221 WeakPolarHBondContact CA-O 3.47Å; V189-H221 HydrophobicContact CG2-CB 4.01Å; V189-H221 PolarHBondContact N-O 3.22Å; G218-H221 PolarHBondContact N-ND1 3.47Å; G218-H221 WeakPolarHBondContact O-CB 3.38Å; G218-H221 PolarHBondContact O-N 2.75Å; H221-F225 HydrophobicContact CB-CD1 4Å; H221-F225 AromaticContact CD2-CD1 3.99Å; H221-F225 AromaticContact CD2-CE1 3.79Å; H221-F225 AromaticContact CE1-CE1 3.93Å; H221-F225 AromaticContact CG-CD1 3.81Å; H221-F225 AromaticContact CG-CE1 3.88Å; H221-F225 AromaticContact ND1-CE1 3.96Å; H221-F225 AromaticContact NE2-CE1 3.83Å; H221-V226 HydrophobicContact CB-CG2 4.02Å
222T97.4Very high94.8Very high37 Ų3764.8 Ų64.823%0.22732%0.319CS..BIsolated β-bridgetrans-72.7154.5168.864.10000110.5A187 T188 D220 K224 F225 V226A187-T222 CarbonylContact O-C 3.54Å; A187-T222 WeakPolarHBondContact O-CA 3.28Å; T188-T222 HydrophobicContact CG2-CG2 4.23Å; D220-T222 PolarHBondContact O-N 2.87Å; T222-K224 VanDerWaalsContact C-N 3.25Å; T222-K224 PolarHBondContact O-N 2.83Å; T222-F225 WeakPolarHBondContact O-CB 3.23Å; T222-F225 PolarHBondContact O-N 3.24Å; T222-F225 VanDerWaalsContact O-N 3.17Å; T222-F225 WeakPolarHBondContact OG1-CB 3.39Å; T222-F225 PolarHBondContact OG1-N 3.38Å; T222-V226 WeakPolarHBondContact O-CG2 3.33Å; T222-V226 PolarHBondContact O-N 3.17Å
223L96.9Very high94.6Very high0 Ų074 Ų740%036%0.359CS..Hα-helixtrans-62.8-35.2176.1-66.9176.4000111.9V162 I164 C183 A185 A187 L192 F225 V226 V227 L238V162-L223 HydrophobicContact CB-CB 4.48Å; V162-L223 HydrophobicContact CG2-CB 4.37Å; I164-L223 HydrophobicContact CD1-CD1 3.31Å; I164-L223 HydrophobicContact CD1-CD2 3.85Å; I164-L223 HydrophobicContact CD1-CG 4.2Å; I164-L223 HydrophobicContact CG1-CD1 4.34Å; C183-L223 VanDerWaalsContact SG-CD1 3.51Å; A185-L223 PolarHBondContact O-N 3.05Å; A187-L223 HydrophobicContact CB-CD1 4Å; A187-L223 VanDerWaalsContact O-CG 3.32Å; A187-L223 WeakPolarHBondContact O-CG 3.08Å; A187-L223 PolarHBondContact O-N 2.87Å; L192-L223 HydrophobicContact CD1-CD2 3.76Å; L192-L223 HydrophobicContact CG-CD2 4.43Å; L223-F225 VanDerWaalsContact C-N 3.34Å; L223-F225 PolarHBondContact O-N 3.43Å; L223-V226 PolarHBondContact O-N 2.88Å; L223-V227 WeakPolarHBondContact O-CG2 3.46Å; L223-V227 PolarHBondContact O-N 3.24Å; L223-L238 HydrophobicContact CD2-CD2 4.34Å
224K95.9Very high94.4Very high88 Ų8875.8 Ų75.838%0.38336%0.364SS..Hα-helixtrans-56.4-48.5172.1-170.3160.8-176.8149.60111.4E160 A185 T222 V226 V227 V228E160-K224 IonicContact OE2-NZ 3.34Å; E160-K224 PolarHBondContact OE2-NZ 3Å; A185-K224 HydrophobicContact CB-CB 3.97Å; A185-K224 PolarHBondContact O-N 2.63Å; T222-K224 VanDerWaalsContact C-N 3.25Å; T222-K224 PolarHBondContact O-N 2.83Å; K224-V226 PolarHBondContact O-N 2.87Å; K224-V227 PolarHBondContact O-N 2.98Å; K224-V228 VanDerWaalsContact O-CG2 3.32Å; K224-V228 WeakPolarHBondContact O-CG2 3.32Å; K224-V228 PolarHBondContact O-N 3.2Å
225F96.4Very high94.3Very high93 Ų9379.6 Ų79.641%0.40838%0.379SS..Hα-helixtrans-59.9-45.1177176.1-98.3000111.7H221 T222 L223 V227 V228 T229H221-F225 HydrophobicContact CB-CD1 4Å; H221-F225 AromaticContact CD2-CD1 3.99Å; H221-F225 AromaticContact CD2-CE1 3.79Å; H221-F225 AromaticContact CE1-CE1 3.93Å; H221-F225 AromaticContact CG-CD1 3.81Å; H221-F225 AromaticContact CG-CE1 3.88Å; H221-F225 AromaticContact ND1-CE1 3.96Å; H221-F225 AromaticContact NE2-CE1 3.83Å; T222-F225 WeakPolarHBondContact O-CB 3.23Å; T222-F225 PolarHBondContact O-N 3.24Å; T222-F225 VanDerWaalsContact O-N 3.17Å; T222-F225 WeakPolarHBondContact OG1-CB 3.39Å; T222-F225 PolarHBondContact OG1-N 3.38Å; L223-F225 VanDerWaalsContact C-N 3.34Å; L223-F225 PolarHBondContact O-N 3.43Å; F225-V227 PolarHBondContact O-N 3.46Å; F225-V228 PolarHBondContact O-N 2.94Å; F225-T229 HydrophobicContact CD2-CG2 3.88Å; F225-T229 HydrophobicContact CE1-CG2 4.24Å; F225-T229 HydrophobicContact CE2-CG2 3.55Å; F225-T229 HydrophobicContact CG-CG2 4.36Å; F225-T229 HydrophobicContact CZ-CG2 3.76Å; F225-T229 WeakPolarHBondContact O-CB 3.44Å; F225-T229 WeakPolarHBondContact O-CG2 3.41Å; F225-T229 PolarHBondContact O-N 3.49Å; F225-T229 PolarHBondContact O-OG1 3.32Å
226V96.4Very high94Very high0 Ų079 Ų790%039%0.386CS..Hα-helixtrans-62.2-43.9178.2178.60000111.5V189 C212 L217 H221 T222 L223 K224 R230 W231 L238 L240V189-V226 HydrophobicContact CG2-CG2 4.37Å; C212-V226 HydrophobicContact CB-CG1 4.33Å; L217-V226 HydrophobicContact CD1-CG1 3.95Å; L217-V226 HydrophobicContact CD1-CG2 3.98Å; L217-V226 HydrophobicContact CD2-CG1 4.23Å; L217-V226 HydrophobicContact CD2-CG2 4.15Å; H221-V226 HydrophobicContact CB-CG2 4.02Å; T222-V226 WeakPolarHBondContact O-CG2 3.33Å; T222-V226 PolarHBondContact O-N 3.17Å; L223-V226 PolarHBondContact O-N 2.88Å; K224-V226 PolarHBondContact O-N 2.87Å; V226-R230 WeakPolarHBondContact O-CA 3.4Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 3.46Å; V226-W231 PolarHBondContact O-N 3.45Å; V226-L238 HydrophobicContact CB-CD2 4.45Å; V226-L238 HydrophobicContact CG1-CD1 4.14Å; V226-L238 HydrophobicContact CG1-CD2 3.98Å; V226-L240 HydrophobicContact CG1-CD2 4.36Å
227V95.4Very high94Very high45 Ų4576.5 Ų76.527%0.27338%0.375SS..Hα-helixtrans-60.1-50.2177170.20000110.6V162 L223 K224 F225 T229 W231 R232 L238V162-V227 HydrophobicContact CG1-CG2 3.85Å; V162-V227 HydrophobicContact CG2-CG2 4.29Å; L223-V227 WeakPolarHBondContact O-CG2 3.46Å; L223-V227 PolarHBondContact O-N 3.24Å; K224-V227 PolarHBondContact O-N 2.98Å; F225-V227 PolarHBondContact O-N 3.46Å; V227-T229 PolarHBondContact O-N 2.84Å; V227-W231 CarbonylContact O-C 3.15Å; V227-W231 VanDerWaalsContact O-CA 3.29Å; V227-W231 WeakPolarHBondContact O-CA 3.32Å; V227-W231 PolarHBondContact O-N 3.21Å; V227-R232 PolarHBondContact O-N 3.34Å; V227-L238 HydrophobicContact CG2-CB 4.46Å; V227-L238 HydrophobicContact CG2-CD2 4.01Å
228V94.3Very high93.9Very high75 Ų7576.5 Ų76.546%0.45538%0.375SS..Hα-helixtrans-67.9-36.5-176.1173.60000112.6K224 F225K224-V228 VanDerWaalsContact O-CG2 3.32Å; K224-V228 WeakPolarHBondContact O-CG2 3.32Å; K224-V228 PolarHBondContact O-N 3.2Å; F225-V228 PolarHBondContact O-N 2.94Å
229T94.4Very high94Very high71 Ų7177.2 Ų77.244%0.43637%0.371SS..Hα-helixtrans-90.4-34-175.156.80000113.8F225 V227F225-T229 HydrophobicContact CD2-CG2 3.88Å; F225-T229 HydrophobicContact CE1-CG2 4.24Å; F225-T229 HydrophobicContact CE2-CG2 3.55Å; F225-T229 HydrophobicContact CG-CG2 4.36Å; F225-T229 HydrophobicContact CZ-CG2 3.76Å; F225-T229 WeakPolarHBondContact O-CB 3.44Å; F225-T229 WeakPolarHBondContact O-CG2 3.41Å; F225-T229 PolarHBondContact O-N 3.49Å; F225-T229 PolarHBondContact O-OG1 3.32Å; V227-T229 PolarHBondContact O-N 2.84Å
230R94.1Very high94.1Very high59 Ų5971.5 Ų71.522%0.22335%0.347CS..Hα-helixtrans-121.8-9.1-171.5-64-172.617583.9-2.8114.8N213 E215 V226N213-R230 PolarHBondContact ND2-O 2.95Å; E215-R230 IonicContact OE2-CZ 3.76Å; E215-R230 IonicContact OE2-NE 2.75Å; E215-R230 PolarHBondContact OE2-NE 2.97Å; E215-R230 IonicContact OE2-NH2 3.28Å; E215-R230 PolarHBondContact OE2-NH2 3.47Å; V226-R230 WeakPolarHBondContact O-CA 3.4Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 3.46Å
231W94.9Very high94.1Very high28 Ų2867.8 Ų67.811%0.10633%0.325CS..SBendtrans-131.511.4-176.5-144.6-101.9000114.5N213 V226 V227 F233 K234 K235 P237 L238 L239N213-W231 VanDerWaalsContact OD1-CZ3 3.22Å; N213-W231 WeakPolarHBondContact OD1-CZ3 3.29Å; V226-W231 PolarHBondContact O-N 3.45Å; V227-W231 CarbonylContact O-C 3.15Å; V227-W231 VanDerWaalsContact O-CA 3.29Å; V227-W231 WeakPolarHBondContact O-CA 3.32Å; V227-W231 PolarHBondContact O-N 3.21Å; W231-F233 VanDerWaalsContact C-N 3.29Å; W231-F233 PolarHBondContact O-N 3.33Å; W231-F233 VanDerWaalsContact O-N 3.14Å; W231-K234 HydrophobicContact CD2-CB 3.86Å; W231-K234 HydrophobicContact CD2-CD 3.65Å; W231-K234 HydrophobicContact CD2-CG 4.34Å; W231-K234 HydrophobicContact CE3-CD 3.63Å; W231-K234 HydrophobicContact CG-CB 3.92Å; W231-K234 HydrophobicContact CG-CD 4.42Å; W231-K234 HydrophobicContact CH2-CD 3.55Å; W231-K234 HydrophobicContact CZ2-CB 4.06Å; W231-K234 HydrophobicContact CZ2-CD 3.6Å; W231-K234 HydrophobicContact CZ2-CG 4.47Å; W231-K234 HydrophobicContact CZ3-CD 3.6Å; W231-K234 PolarHBondContact O-N 2.81Å; W231-K234 VanDerWaalsContact O-N 3.08Å; W231-K235 PolarHBondContact NE1-O 3.32Å; W231-K235 VanDerWaalsContact NE1-O 3.15Å; W231-P237 PolarHBondContact NE1-O 3.17Å; W231-P237 VanDerWaalsContact NE1-O 3.09Å; W231-L238 HydrophobicContact CB-CD1 3.63Å; W231-L238 HydrophobicContact CD2-CD1 3.59Å; W231-L238 HydrophobicContact CE3-CD1 3.8Å; W231-L238 HydrophobicContact CG-CD1 3.5Å; W231-L239 HydrophobicContact CH2-CB 3.54Å; W231-L239 HydrophobicContact CZ2-CB 3.8Å; W231-L239 HydrophobicContact CZ3-CB 4.35Å
232R89.4Confident94.1Very high170 Ų17065.3 Ų65.364%0.64231%0.314SS*.THydrogen-bonded Turntrans-52.7-40-171.1-173.7177.5175924114.8V227V227-R232 PolarHBondContact O-N 3.34Å
233F89.9Confident93.9Very high193 Ų19366.9 Ų66.985%0.84632%0.316SS*.THydrogen-bonded Turntrans-103.27.7-174.3-54.1-69.4000113.1W231W231-F233 VanDerWaalsContact C-N 3.29Å; W231-F233 PolarHBondContact O-N 3.33Å; W231-F233 VanDerWaalsContact O-N 3.14Å
234K89.6Confident93.6Very high105 Ų10568.2 Ų68.246%0.45733%0.325SS..SBendtrans-105.6145.7-178.7-68.6-176.5177.6-1730110N213 W231N213-K234 PolarHBondContact OD1-NZ 3.21Å; W231-K234 HydrophobicContact CD2-CB 3.86Å; W231-K234 HydrophobicContact CD2-CD 3.65Å; W231-K234 HydrophobicContact CD2-CG 4.34Å; W231-K234 HydrophobicContact CE3-CD 3.63Å; W231-K234 HydrophobicContact CG-CB 3.92Å; W231-K234 HydrophobicContact CG-CD 4.42Å; W231-K234 HydrophobicContact CH2-CD 3.55Å; W231-K234 HydrophobicContact CZ2-CB 4.06Å; W231-K234 HydrophobicContact CZ2-CD 3.6Å; W231-K234 HydrophobicContact CZ2-CG 4.47Å; W231-K234 HydrophobicContact CZ3-CD 3.6Å; W231-K234 PolarHBondContact O-N 2.81Å; W231-K234 VanDerWaalsContact O-N 3.08Å
235K88.3Confident93.2Very high197 Ų19769 Ų6986%0.85733%0.328SS*.PPolyproline II helixtrans-69.1147.2175.3-68.4-175.2177.9-177.90110.1W231W231-K235 PolarHBondContact NE1-O 3.32Å; W231-K235 VanDerWaalsContact NE1-O 3.15Å
236S87.6Confident92.4Very high92 Ų9270.4 Ų70.464%0.64334%0.337SS*.SBendtrans-57.9143.7167.9-178.50000110.2
237P93.6Very high91.2Very high34 Ų3476.4 Ų76.422%0.22137%0.369CS..SBendcis-78.5162.66.238.9-45.1000114.3S163 C165 W180 W231 L239S163-P237 WeakPolarHBondContact O-CA 3.46Å; C165-P237 HydrophobicContact CB-CB 4.33Å; C165-P237 HydrophobicContact CB-CG 4.02Å; W180-P237 HydrophobicContact CE3-CB 4.32Å; W180-P237 HydrophobicContact CE3-CG 4.27Å; W180-P237 HydrophobicContact CH2-CG 3.83Å; W180-P237 HydrophobicContact CZ3-CB 3.81Å; W180-P237 HydrophobicContact CZ3-CG 3.35Å; W231-P237 PolarHBondContact NE1-O 3.17Å; W231-P237 VanDerWaalsContact NE1-O 3.09Å; P237-L239 PolarHBondContact O-N 3.3Å
238L95.6Very high89.4Confident3 Ų382.7 Ų82.72%0.01640%0.4CS..EExtended strand (participates in β ladder)trans-67.8112.3162.3174.564000109.1V162 S163 I164 C165 L223 V226 V227 W231 L240V162-L238 HydrophobicContact CG1-CB 4.34Å; V162-L238 HydrophobicContact CG1-CD2 4.46Å; S163-L238 PolarHBondContact O-N 3.2Å; I164-L238 CarbonylContact C-O 3.55Å; I164-L238 VanDerWaalsContact CA-O 3.28Å; I164-L238 WeakPolarHBondContact CA-O 3.47Å; I164-L238 WeakPolarHBondContact CG2-O 3.28Å; C165-L238 PolarHBondContact N-O 3.4Å; L223-L238 HydrophobicContact CD2-CD2 4.34Å; V226-L238 HydrophobicContact CB-CD2 4.45Å; V226-L238 HydrophobicContact CG1-CD1 4.14Å; V226-L238 HydrophobicContact CG1-CD2 3.98Å; V227-L238 HydrophobicContact CG2-CB 4.46Å; V227-L238 HydrophobicContact CG2-CD2 4.01Å; W231-L238 HydrophobicContact CB-CD1 3.63Å; W231-L238 HydrophobicContact CD2-CD1 3.59Å; W231-L238 HydrophobicContact CE3-CD1 3.8Å; W231-L238 HydrophobicContact CG-CD1 3.5Å; L238-L240 HydrophobicContact CD1-CD2 4.08Å; L238-L240 HydrophobicContact CD2-CD1 4.13Å; L238-L240 HydrophobicContact CD2-CD2 4.08Å; L238-L240 HydrophobicContact CD2-CG 4.16Å; L238-L240 HydrophobicContact CG-CD1 4.45Å; L238-L240 HydrophobicContact CG-CD2 3.9Å; L238-L240 HydrophobicContact CG-CG 3.96Å
239L96.4Very high86.8Confident47 Ų4790.5 Ų90.525%0.24644%0.439CS..EExtended strand (participates in β ladder)trans-86.1122.3175.9179.365.9000110C165 E167 W231 P237C165-L239 HydrophobicContact CB-CD1 3.97Å; E167-L239 HydrophobicContact CB-CD1 4.37Å; E167-L239 HydrophobicContact CG-CD1 3.85Å; W231-L239 HydrophobicContact CH2-CB 3.54Å; W231-L239 HydrophobicContact CZ2-CB 3.8Å; W231-L239 HydrophobicContact CZ3-CB 4.35Å; P237-L239 PolarHBondContact O-N 3.3Å
240L97.1Very high86.4Confident0 Ų091.5 Ų91.50%044%0.439CS..EExtended strand (participates in β ladder)trans-123.4136.7176.3-59.6-179.6000110.1I164 C165 L166 E167 L192 I210 L211 C212 L217 V226 L238I164-L240 HydrophobicContact CG2-CB 4.44Å; I164-L240 HydrophobicContact CG2-CD1 3.74Å; I164-L240 HydrophobicContact CG2-CG 3.99Å; C165-L240 PolarHBondContact O-N 2.89Å; L166-L240 WeakPolarHBondContact CA-O 3.34Å; L166-L240 HydrophobicContact CD2-CB 3.97Å; L166-L240 HydrophobicContact CD2-CD1 4.46Å; E167-L240 PolarHBondContact N-O 2.94Å; L192-L240 HydrophobicContact CD1-CD1 3.54Å; I210-L240 HydrophobicContact CG2-CB 4.04Å; I210-L240 HydrophobicContact CG2-CD1 4.1Å; L211-L240 WeakPolarHBondContact O-CA 3.22Å; C212-L240 HydrophobicContact CB-CD2 3.64Å; L217-L240 HydrophobicContact CD1-CD2 3.85Å; V226-L240 HydrophobicContact CG1-CD2 4.36Å; L238-L240 HydrophobicContact CD1-CD2 4.08Å; L238-L240 HydrophobicContact CD2-CD1 4.13Å; L238-L240 HydrophobicContact CD2-CD2 4.08Å; L238-L240 HydrophobicContact CD2-CG 4.16Å; L238-L240 HydrophobicContact CG-CD1 4.45Å; L238-L240 HydrophobicContact CG-CD2 3.9Å; L238-L240 HydrophobicContact CG-CG 3.96Å
241H96.3Very high86Confident34 Ų3493.2 Ų93.216%0.15745%0.45CS..EExtended strand (participates in β ladder)trans-97.6138174.5-64.6127000110E167 N169 I210 L211 E214E167-H241 CarbonylContact O-C 3.5Å; E167-H241 VanDerWaalsContact O-CA 3.29Å; E167-H241 WeakPolarHBondContact O-CA 3.34Å; E167-H241 IonicContact OE2-NE2 3.8Å; N169-H241 HydrophobicContact CB-CB 3.98Å; I210-H241 CarbonylContact C-O 3.51Å; I210-H241 WeakPolarHBondContact CA-O 3.42Å; L211-H241 HydrophobicContact CB-CB 4.37Å; L211-H241 PolarHBondContact N-O 3.34Å; L211-H241 PolarHBondContact O-N 3.09Å; E214-H241 IonicContact OE1-CE1 3.99Å; E214-H241 IonicContact OE1-ND1 2.89Å; E214-H241 PolarHBondContact OE1-ND1 2.9Å
242Y95.1Very high85.5Confident0 Ų096.8 Ų96.80%047%0.469CS..EExtended strand (participates in β ladder)trans-120.2144.8170.571.9-89.4000111.3L166 E167 C168 N169 L173 R174 G175 L176 I196 L200 D209L166-Y242 HydrophobicContact CB-CD1 4.3Å; L166-Y242 HydrophobicContact CB-CE1 4.39Å; E167-Y242 WeakPolarHBondContact O-CD1 3.38Å; E167-Y242 PolarHBondContact O-N 3.38Å; C168-Y242 HydrophobicContact CB-CE1 3.94Å; C168-Y242 HydrophobicContact CB-CE2 3.89Å; C168-Y242 WeakPolarHBondContact CB-OH 3.33Å; N169-Y242 PolarHBondContact N-O 2.68Å; L173-Y242 HydrophobicContact CD1-CD2 4.24Å; L173-Y242 HydrophobicContact CD1-CE2 4.3Å; R174-Y242 PolarHBondContact O-OH 3.49Å; G175-Y242 VanDerWaalsContact CA-OH 3.27Å; G175-Y242 WeakPolarHBondContact CA-OH 3.39Å; L176-Y242 HydrophobicContact CD1-CE1 4.17Å; L176-Y242 HydrophobicContact CG-CE1 4.2Å; L176-Y242 PolarHBondContact N-OH 2.93Å; I196-Y242 HydrophobicContact CD1-CD1 4.2Å; I196-Y242 HydrophobicContact CD1-CG 4.01Å; I196-Y242 HydrophobicContact CG2-CD2 3.93Å; I196-Y242 HydrophobicContact CG2-CE2 4.1Å; I196-Y242 HydrophobicContact CG2-CG 4.29Å; L200-Y242 HydrophobicContact CD1-CE2 3.73Å; D209-Y242 VanDerWaalsContact O-CA 3.31Å; D209-Y242 WeakPolarHBondContact O-CA 3.4Å
243R93.2Very high85.2Confident71 Ų7192.5 Ų92.527%0.26846%0.459SS..EExtended strand (participates in β ladder)trans-149.6163.3178.665.8179.4-172.2-165.80.7110.8D209 L211D209-R243 HydrophobicContact CB-CG 4.43Å; D209-R243 PolarHBondContact N-O 3.35Å; D209-R243 PolarHBondContact O-N 3.12Å; L211-R243 HydrophobicContact CD1-CG 3.76Å
244P91.1Very high84.9Confident28 Ų2886.3 Ų86.318%0.18244%0.435CS..EExtended strand (participates in β ladder)trans-55.3141166.7-21.833.2000110.3K172 L173 E207 M246K172-P244 HydrophobicContact CB-CG 4.16Å; L173-P244 VanDerWaalsContact CD1-CD 3.43Å; L173-P244 HydrophobicContact CD1-CG 3.66Å; L173-P244 HydrophobicContact CD2-CG 4.27Å; L173-P244 HydrophobicContact CG-CG 3.61Å; E207-P244 CarbonylContact O-C 3.56Å; E207-P244 VanDerWaalsContact O-CA 3.31Å; E207-P244 WeakPolarHBondContact O-CA 3.24Å; P244-M246 PolarHBondContact O-N 3.48Å
245K87.9Confident84.6Confident103 Ų10385 Ų8545%0.44843%0.433SS..  trans-57.9130.2168.7-174.3175.8177-163.30108.2N206 E207N206-K245 WeakPolarHBondContact O-CD 3.38Å; E207-K245 PolarHBondContact O-N 2.94Å
246M80.1Confident84.4Confident123 Ų12377 Ų7761%0.60640%0.403SS*.  trans-91.8115173.6-67.5-75.5-69.600106.7P244 L248P244-M246 PolarHBondContact O-N 3.48Å; M246-L248 PolarHBondContact O-N 3.12Å
247D71.1Confident84.1Confident127 Ų12775.8 Ų75.868%0.67939%0.385SS*.  trans-73.6120.2166.2-65.7-37.9000107.3L249D247-L249 PolarHBondContact O-N 3.39Å; D247-L249 VanDerWaalsContact O-N 3.12Å
248L56.8Low83.3Confident176 Ų17679.3 Ų79.392%0.92140%0.398SS*.  trans-69.9104.7168.6-75.4158.5000106.3M246M246-L248 PolarHBondContact O-N 3.12Å
249L39.5Very low82.2Confident240 Ų24086.3 Ų86.3100%1.25743%0.433SS*.  trans-65.10165.5-80.4160.3000110.3D247D247-L249 PolarHBondContact O-N 3.39Å; D247-L249 VanDerWaalsContact O-N 3.12Å

Retrieved 249 of 249 residues in 46.1 ms (Link to these results)

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