G4VPC5_SCHMA Loading...

Transcriptional regulator

AlphaFold DB , UniProt , Accession G4VPC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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
1M47.4Very low63Low242 Ų242144.9 Ų144.9100%1.19271%0.706SS**  01110-83.9172.6-17400107.1E3M1-E3 PolarHBondContact O-N 3.4Å
2Q48.3Very low64.5Low195 Ų195139 Ų13991%0.91168%0.676SS**  trans-77.2112165.4-83173.7-16.900106.2Y4Q2-Y4 PolarHBondContact O-N 2.82Å; Q2-Y4 VanDerWaalsContact O-N 3.12Å
3E50.3Low65.8Low164 Ų164137.4 Ų137.477%0.76666%0.663SS**  trans-55.2117.8168.1-89.6-178.3153.400108M1 Q5M1-E3 PolarHBondContact O-N 3.4Å; E3-Q5 HydrophobicContact CB-CG 4.35Å; E3-Q5 PolarHBondContact O-N 3.12Å
4Y57Low66.5Low208 Ų208135.1 Ų135.182%0.81665%0.645SS**  trans-7377.4174.6-153.5-97.7000107.6Q2 S6Q2-Y4 PolarHBondContact O-N 2.82Å; Q2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-S6 WeakPolarHBondContact CD1-OG 3.13Å; Y4-S6 VanDerWaalsContact CE1-CB 3.44Å; Y4-S6 WeakPolarHBondContact CE1-OG 3.09Å; Y4-S6 PolarHBondContact O-N 2.9Å
5Q53.7Low67.2Low167 Ų167129.7 Ų129.778%0.7864%0.64SS**  trans-75.151171.4-71.3-162.1-6.700110.4E3E3-Q5 HydrophobicContact CB-CG 4.35Å; E3-Q5 PolarHBondContact O-N 3.12Å
6S60.2Low68.1Low54 Ų54132.3 Ų132.338%0.37865%0.649SS.*  trans-80.7123168.467.80000108.4Y4 L8Y4-S6 WeakPolarHBondContact CD1-OG 3.13Å; Y4-S6 VanDerWaalsContact CE1-CB 3.44Å; Y4-S6 WeakPolarHBondContact CE1-OG 3.09Å; Y4-S6 PolarHBondContact O-N 2.9Å; S6-L8 PolarHBondContact O-N 2.98Å
7T67.1Low68.9Low100 Ų100132 Ų13261%0.61364%0.644SS**  trans-59.2105.8170-52.60000109.2
8L68.8Low69.9Low133 Ų133133.3 Ų133.370%0.69664%0.642SS**  trans-69.9-34.4-175-138.286.6000112S6S6-L8 PolarHBondContact O-N 2.98Å
9F75Confident70.7Confident140 Ų140127.6 Ų127.661%0.61461%0.614SS**  trans-145.4128-179.7-59-70.9000111.3V11F9-V11 HydrophobicContact CB-CG2 4.31Å
10H80.7Confident71.7Confident112 Ų112123.9 Ų123.952%0.51960%0.599SS.*  trans-81.5124.8162.8-64-66.9000109.1D21H10-D21 VanDerWaalsContact CB-OD2 3.26Å; H10-D21 WeakPolarHBondContact CB-OD2 3.49Å; H10-D21 IonicContact CD2-OD2 3.73Å; H10-D21 IonicContact CG-OD2 3.79Å; H10-D21 PolarHBondContact O-N 3.36Å
11V84.9Confident72.6Confident79 Ų79120.5 Ų120.548%0.47958%0.584SS.*EExtended strand (participates in β ladder)trans-120.5132-177.1-176.90000109.1F9 Y18 F19F9-V11 HydrophobicContact CB-CG2 4.31Å; V11-Y18 HydrophobicContact CG1-CD1 3.79Å; V11-Y18 HydrophobicContact CG1-CG 4.18Å; V11-F19 CarbonylContact C-O 3.58Å; V11-F19 WeakPolarHBondContact CA-O 3.44Å
12H80.6Confident74.6Confident74 Ų74114 Ų11434%0.34356%0.558SS.*EExtended strand (participates in β ladder)trans-110.8130.4177.8-59.2-92.5000109.8Y14 Y18 F19 D21 L24H12-Y14 HydrophobicContact CB-CD2 4.01Å; H12-Y14 HydrophobicContact CB-CE2 3.64Å; H12-Y18 CarbonylContact O-C 3.59Å; H12-Y18 WeakPolarHBondContact O-CA 3.42Å; H12-F19 PolarHBondContact N-O 3.22Å; H12-F19 PolarHBondContact O-N 3.33Å; H12-D21 IonicContact CD2-OD1 3.33Å; H12-D21 PolarHBondContact CD2-OD1 3.24Å; H12-D21 IonicContact CE1-OD1 3.82Å; H12-D21 IonicContact NE2-OD1 2.66Å; H12-D21 PolarHBondContact NE2-OD1 3.47Å; H12-L24 HydrophobicContact CB-CD1 3.96Å; H12-L24 VanDerWaalsContact CD2-CD1 3.44Å; H12-L24 WeakPolarHBondContact CD2-CD1 2.84Å
13K81.4Confident76.6Confident118 Ų118108.8 Ų108.851%0.51353%0.533SS..EExtended strand (participates in β ladder)trans-89.9127.2173.5-174.4177177.9175.20109.8G15 K17 Y18K13-G15 WeakPolarHBondContact CE-O 3.48Å; K13-G15 VanDerWaalsContact CG-O 3.22Å; K13-G15 WeakPolarHBondContact CG-O 3.22Å; K13-K17 WeakPolarHBondContact CA-O 3.42Å; K13-Y18 HydrophobicContact CB-CD1 3.99Å; K13-Y18 HydrophobicContact CB-CE1 3.82Å; K13-Y18 HydrophobicContact CD-CE1 3.98Å; K13-Y18 HydrophobicContact CG-CD1 4.3Å; K13-Y18 HydrophobicContact CG-CE1 3.92Å
14Y75Confident78.6Confident106 Ų106102 Ų10242%0.41650%0.501SS..EExtended strand (participates in β ladder)trans-129.198.8173.8-77.5-95000108.6H12 E16 K17 F19 L24 L57H12-Y14 HydrophobicContact CB-CD2 4.01Å; H12-Y14 HydrophobicContact CB-CE2 3.64Å; Y14-E16 PolarHBondContact O-N 2.83Å; Y14-K17 PolarHBondContact N-O 2.66Å; Y14-K17 PolarHBondContact O-N 2.83Å; Y14-F19 AromaticContact CD2-CD2 3.67Å; Y14-F19 HydrophobicContact CD2-CD2 3.67Å; Y14-F19 HydrophobicContact CD2-CE2 4.32Å; Y14-F19 HydrophobicContact CG-CD2 4.12Å; Y14-F19 HydrophobicContact CG-CE2 4.32Å; Y14-L24 HydrophobicContact CE2-CD1 4.08Å; Y14-L24 HydrophobicContact CE2-CD2 4.29Å; Y14-L57 HydrophobicContact CD1-CD2 3.98Å; Y14-L57 HydrophobicContact CD2-CD2 4.44Å; Y14-L57 HydrophobicContact CE1-CD2 4.04Å; Y14-L57 HydrophobicContact CE2-CD2 4.46Å; Y14-L57 HydrophobicContact CG-CD2 4.18Å
15G77.5Confident80.2Confident54 Ų5496.8 Ų96.856%0.55749%0.488SS*.THydrogen-bonded Turntrans60.6-132.2-167.800000110.5K13 K17K13-G15 WeakPolarHBondContact CE-O 3.48Å; K13-G15 VanDerWaalsContact CG-O 3.22Å; K13-G15 WeakPolarHBondContact CG-O 3.22Å; G15-K17 VanDerWaalsContact C-N 3.25Å; G15-K17 PolarHBondContact O-N 2.78Å
16E81.2Confident82.1Confident170 Ų17091.8 Ų91.879%0.79448%0.475SS*.THydrogen-bonded Turntrans-84.28.5178.7-60.7-52.312200114.1Y14Y14-E16 PolarHBondContact O-N 2.83Å
17K83.1Confident83.7Confident128 Ų12889.7 Ų89.756%0.55746%0.46SS*.EExtended strand (participates in β ladder)trans-113.9144.2-177.4-64.6-175.8179.8-179.40111.5K13 Y14 G15 F19K13-K17 WeakPolarHBondContact CA-O 3.42Å; Y14-K17 PolarHBondContact N-O 2.66Å; Y14-K17 PolarHBondContact O-N 2.83Å; G15-K17 VanDerWaalsContact C-N 3.25Å; G15-K17 PolarHBondContact O-N 2.78Å; K17-F19 HydrophobicContact CB-CE2 3.78Å; K17-F19 HydrophobicContact CB-CZ 3.84Å; K17-F19 HydrophobicContact CD-CZ 4.13Å
18Y86.1Confident85.1Confident156 Ų15688.3 Ų88.361%0.61245%0.445SS*.EExtended strand (participates in β ladder)trans-109.6133.3175-66.3-85.2000109.9V11 H12 K13V11-Y18 HydrophobicContact CG1-CD1 3.79Å; V11-Y18 HydrophobicContact CG1-CG 4.18Å; H12-Y18 CarbonylContact O-C 3.59Å; H12-Y18 WeakPolarHBondContact O-CA 3.42Å; K13-Y18 HydrophobicContact CB-CD1 3.99Å; K13-Y18 HydrophobicContact CB-CE1 3.82Å; K13-Y18 HydrophobicContact CD-CE1 3.98Å; K13-Y18 HydrophobicContact CG-CD1 4.3Å; K13-Y18 HydrophobicContact CG-CE1 3.92Å
19F86Confident86.3Confident24 Ų2484.2 Ų84.211%0.10543%0.431CS..EExtended strand (participates in β ladder)trans-125.6137.6-179.2-62.6-71.5000110.5V11 H12 Y14 K17 F23 L24 L57V11-F19 CarbonylContact C-O 3.58Å; V11-F19 WeakPolarHBondContact CA-O 3.44Å; H12-F19 PolarHBondContact N-O 3.22Å; H12-F19 PolarHBondContact O-N 3.33Å; Y14-F19 AromaticContact CD2-CD2 3.67Å; Y14-F19 HydrophobicContact CD2-CD2 3.67Å; Y14-F19 HydrophobicContact CD2-CE2 4.32Å; Y14-F19 HydrophobicContact CG-CD2 4.12Å; Y14-F19 HydrophobicContact CG-CE2 4.32Å; K17-F19 HydrophobicContact CB-CE2 3.78Å; K17-F19 HydrophobicContact CB-CZ 3.84Å; K17-F19 HydrophobicContact CD-CZ 4.13Å; F19-F23 HydrophobicContact CB-CD1 4.13Å; F19-F23 AromaticContact CD1-CD1 3.36Å; F19-F23 HydrophobicContact CD1-CD1 3.36Å; F19-F23 AromaticContact CD1-CE1 3.28Å; F19-F23 HydrophobicContact CD1-CE1 3.28Å; F19-F23 HydrophobicContact CD1-CG 4.3Å; F19-F23 HydrophobicContact CD1-CZ 4.18Å; F19-F23 HydrophobicContact CE1-CD1 4.1Å; F19-F23 AromaticContact CE1-CE1 3.52Å; F19-F23 HydrophobicContact CE1-CE1 3.52Å; F19-F23 HydrophobicContact CE1-CZ 4.11Å; F19-F23 HydrophobicContact CG-CD1 4.07Å; F19-F23 HydrophobicContact CG-CE1 4.23Å; F19-L24 HydrophobicContact CB-CD1 4.28Å; F19-L24 HydrophobicContact CB-CD2 3.84Å; F19-L24 HydrophobicContact CB-CG 3.9Å; F19-L24 HydrophobicContact CG-CD2 4.22Å; F19-L57 HydrophobicContact CD2-CD1 4.45Å; F19-L57 HydrophobicContact CE1-CD1 4.08Å; F19-L57 HydrophobicContact CE2-CD1 3.94Å; F19-L57 HydrophobicContact CE2-CD2 4.49Å; F19-L57 HydrophobicContact CZ-CD1 3.73Å
20T90.8Very high87.3Confident53 Ų5382.7 Ų82.733%0.32542%0.424SS..EExtended strand (participates in β ladder)trans-82.9156.7173.461.20000110.9T22 F23 L24T20-T22 PolarHBondContact O-N 3.38Å; T20-F23 PolarHBondContact O-N 3.15Å; T20-F23 VanDerWaalsContact O-N 3.15Å; T20-F23 WeakPolarHBondContact OG1-CB 3.48Å; T20-F23 PolarHBondContact OG1-N 3.27Å; T20-L24 WeakPolarHBondContact O-CG 3.48Å; T20-L24 PolarHBondContact O-N 2.8Å
21D89.4Confident88.1Confident53 Ų5377.3 Ų77.328%0.28340%0.399SS..Hα-helixtrans-52.2-44.1171-85-7.7000112.4H10 H12 F23 L24 N25H10-D21 VanDerWaalsContact CB-OD2 3.26Å; H10-D21 WeakPolarHBondContact CB-OD2 3.49Å; H10-D21 IonicContact CD2-OD2 3.73Å; H10-D21 IonicContact CG-OD2 3.79Å; H10-D21 PolarHBondContact O-N 3.36Å; H12-D21 IonicContact CD2-OD1 3.33Å; H12-D21 PolarHBondContact CD2-OD1 3.24Å; H12-D21 IonicContact CE1-OD1 3.82Å; H12-D21 IonicContact NE2-OD1 2.66Å; H12-D21 PolarHBondContact NE2-OD1 3.47Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.3Å; D21-L24 PolarHBondContact O-N 3.12Å; D21-N25 VanDerWaalsContact O-CB 3.23Å; D21-N25 WeakPolarHBondContact O-CB 3.26Å; D21-N25 PolarHBondContact O-N 3.24Å; D21-N25 PolarHBondContact O-ND2 2.96Å; D21-N25 VanDerWaalsContact O-ND2 3.12Å
22T90.3Very high88.6Confident105 Ų10578.9 Ų78.964%0.64440%0.397SS*.Hα-helixtrans-58.8-44.7179.5-49.20000111.3T20 A26T20-T22 PolarHBondContact O-N 3.38Å; T22-A26 WeakPolarHBondContact O-CB 3.26Å; T22-A26 PolarHBondContact O-N 2.99Å
23F90Very high89.4Confident87 Ų8777.9 Ų77.938%0.38241%0.406SS..Hα-helixtrans-65.1-46.3176.9177.1-91.7000111.8F19 T20 D21 N25 A26 T27 L57F19-F23 HydrophobicContact CB-CD1 4.13Å; F19-F23 AromaticContact CD1-CD1 3.36Å; F19-F23 HydrophobicContact CD1-CD1 3.36Å; F19-F23 AromaticContact CD1-CE1 3.28Å; F19-F23 HydrophobicContact CD1-CE1 3.28Å; F19-F23 HydrophobicContact CD1-CG 4.3Å; F19-F23 HydrophobicContact CD1-CZ 4.18Å; F19-F23 HydrophobicContact CE1-CD1 4.1Å; F19-F23 AromaticContact CE1-CE1 3.52Å; F19-F23 HydrophobicContact CE1-CE1 3.52Å; F19-F23 HydrophobicContact CE1-CZ 4.11Å; F19-F23 HydrophobicContact CG-CD1 4.07Å; F19-F23 HydrophobicContact CG-CE1 4.23Å; T20-F23 PolarHBondContact O-N 3.15Å; T20-F23 VanDerWaalsContact O-N 3.15Å; T20-F23 WeakPolarHBondContact OG1-CB 3.48Å; T20-F23 PolarHBondContact OG1-N 3.27Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.3Å; F23-N25 PolarHBondContact O-N 2.95Å; F23-A26 PolarHBondContact O-N 3.46Å; F23-T27 WeakPolarHBondContact CE1-OG1 3.23Å; F23-T27 VanDerWaalsContact O-CB 3.28Å; F23-T27 WeakPolarHBondContact O-CB 3.44Å; F23-T27 PolarHBondContact O-N 3.48Å; F23-T27 PolarHBondContact O-OG1 2.74Å; F23-L57 HydrophobicContact CE1-CD1 4.28Å
24L91Very high90.1Very high20 Ų2075.2 Ų75.211%0.10539%0.393CS..Hα-helixtrans-64-41179.9-68.9177.6000111.7H12 Y14 F19 T20 D21 T27 K28 L57H12-L24 HydrophobicContact CB-CD1 3.96Å; H12-L24 VanDerWaalsContact CD2-CD1 3.44Å; H12-L24 WeakPolarHBondContact CD2-CD1 2.84Å; Y14-L24 HydrophobicContact CE2-CD1 4.08Å; Y14-L24 HydrophobicContact CE2-CD2 4.29Å; F19-L24 HydrophobicContact CB-CD1 4.28Å; F19-L24 HydrophobicContact CB-CD2 3.84Å; F19-L24 HydrophobicContact CB-CG 3.9Å; F19-L24 HydrophobicContact CG-CD2 4.22Å; T20-L24 WeakPolarHBondContact O-CG 3.48Å; T20-L24 PolarHBondContact O-N 2.8Å; D21-L24 PolarHBondContact O-N 3.12Å; L24-T27 PolarHBondContact O-N 2.98Å; L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.43Å; L24-K28 PolarHBondContact O-N 3.22Å; L24-L57 HydrophobicContact CD2-CD2 4.24Å
25N92.4Very high91.2Very high99 Ų9970.3 Ų70.353%0.52937%0.374SS..Hα-helixtrans-65.9-44.4177.9-73.3-31.3000111.7D21 F23 K28 A29D21-N25 VanDerWaalsContact O-CB 3.23Å; D21-N25 WeakPolarHBondContact O-CB 3.26Å; D21-N25 PolarHBondContact O-N 3.24Å; D21-N25 PolarHBondContact O-ND2 2.96Å; D21-N25 VanDerWaalsContact O-ND2 3.12Å; F23-N25 PolarHBondContact O-N 2.95Å; N25-K28 PolarHBondContact O-N 2.88Å; N25-A29 WeakPolarHBondContact O-CB 3.16Å; N25-A29 PolarHBondContact O-N 3.25Å
26A93.5Very high92.1Very high62 Ų6272.3 Ų72.351%0.51238%0.376SS..Hα-helixtrans-62.2-43.6174.400000111.5T22 F23 A29 K30T22-A26 WeakPolarHBondContact O-CB 3.26Å; T22-A26 PolarHBondContact O-N 2.99Å; F23-A26 PolarHBondContact O-N 3.46Å; A26-A29 PolarHBondContact O-N 3.1Å; A26-K30 WeakPolarHBondContact O-CB 3.24Å; A26-K30 PolarHBondContact O-N 3Å
27T93.4Very high92.8Very high10 Ų1067 Ų676%0.06137%0.367CS..Hα-helixtrans-63-44.5177.2-58.20000111.1F23 L24 A29 K30 I31 I53 I61F23-T27 WeakPolarHBondContact CE1-OG1 3.23Å; F23-T27 VanDerWaalsContact O-CB 3.28Å; F23-T27 WeakPolarHBondContact O-CB 3.44Å; F23-T27 PolarHBondContact O-N 3.48Å; F23-T27 PolarHBondContact O-OG1 2.74Å; L24-T27 PolarHBondContact O-N 2.98Å; T27-A29 PolarHBondContact O-N 2.79Å; T27-K30 PolarHBondContact O-N 3.37Å; T27-I31 HydrophobicContact CG2-CD1 3.97Å; T27-I31 WeakPolarHBondContact O-CG1 3.33Å; T27-I31 PolarHBondContact O-N 2.9Å; T27-I53 HydrophobicContact CG2-CD1 3.84Å; T27-I53 HydrophobicContact CG2-CG1 4.14Å; T27-I53 HydrophobicContact CG2-CG2 3.84Å; T27-I61 HydrophobicContact CG2-CD1 3.91Å
28K95Very high93.4Very high71 Ų7161.7 Ų61.731%0.30935%0.345SS..Hα-helixtrans-62.3-41.6176.1-176.3170.4-172.1173.50112L24 N25 R32 I61 L65L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.43Å; L24-K28 PolarHBondContact O-N 3.22Å; N25-K28 PolarHBondContact O-N 2.88Å; K28-R32 VanDerWaalsContact O-CB 3.29Å; K28-R32 WeakPolarHBondContact O-CB 3.28Å; K28-R32 PolarHBondContact O-N 3.42Å; K28-I61 HydrophobicContact CB-CG2 4.13Å; K28-I61 HydrophobicContact CG-CG2 3.91Å; K28-L65 HydrophobicContact CD-CD2 4.47Å; K28-L65 HydrophobicContact CG-CD2 4.13Å
29A95.9Very high93.9Very high48 Ų4860 Ų6040%0.39735%0.345SS..Hα-helixtrans-63.2-43.3175.100000111.9N25 A26 T27 R32 G33N25-A29 WeakPolarHBondContact O-CB 3.16Å; N25-A29 PolarHBondContact O-N 3.25Å; A26-A29 PolarHBondContact O-N 3.1Å; T27-A29 PolarHBondContact O-N 2.79Å; A29-R32 PolarHBondContact O-N 3.41Å; A29-G33 PolarHBondContact O-N 3.15Å
30K95.8Very high94.2Very high107 Ų10767.5 Ų67.547%0.46537%0.373SS..Hα-helixtrans-62.4-47.6177.1-168.8179.8-174-175.20111.9A26 T27 G33 Y34 L51 I53A26-K30 WeakPolarHBondContact O-CB 3.24Å; A26-K30 PolarHBondContact O-N 3Å; T27-K30 PolarHBondContact O-N 3.37Å; K30-G33 PolarHBondContact O-N 3.48Å; K30-Y34 PolarHBondContact O-N 2.96Å; K30-L51 PolarHBondContact NZ-O 3.02Å; K30-I53 HydrophobicContact CD-CD1 4.45Å
31I96Very high94.4Very high0 Ų067.5 Ų67.50%037%0.374CS..Hα-helixtrans-60.5-50.6176.6-72170.7000110.1T27 G33 Y34 F35 I53 I58 I61 V62 L65T27-I31 HydrophobicContact CG2-CD1 3.97Å; T27-I31 WeakPolarHBondContact O-CG1 3.33Å; T27-I31 PolarHBondContact O-N 2.9Å; I31-G33 PolarHBondContact O-N 3.48Å; I31-Y34 PolarHBondContact O-N 3.17Å; I31-F35 HydrophobicContact CG2-CD2 3.61Å; I31-F35 HydrophobicContact CG2-CE2 3.83Å; I31-F35 VanDerWaalsContact O-CD2 3.29Å; I31-F35 WeakPolarHBondContact O-CD2 3.4Å; I31-F35 PolarHBondContact O-N 3.13Å; I31-I53 HydrophobicContact CD1-CD1 3.88Å; I31-I53 HydrophobicContact CD1-CG2 4.37Å; I31-I53 HydrophobicContact CG1-CD1 3.53Å; I31-I58 HydrophobicContact CD1-CG1 4.05Å; I31-I58 HydrophobicContact CG1-CG1 4.34Å; I31-I61 HydrophobicContact CB-CG2 4.13Å; I31-I61 HydrophobicContact CD1-CB 3.8Å; I31-I61 HydrophobicContact CD1-CD1 3.63Å; I31-I61 HydrophobicContact CD1-CG1 4.3Å; I31-I61 HydrophobicContact CD1-CG2 3.72Å; I31-I61 HydrophobicContact CG2-CG2 3.92Å; I31-V62 HydrophobicContact CG2-CG2 3.68Å; I31-L65 HydrophobicContact CG2-CD1 3.97Å
32R96.6Very high94.6Very high112 Ų11266.6 Ų66.642%0.42337%0.37SS..Hα-helixtrans-56.2-50.8178.2-175.8-179.564.9-166.1-0.6110.9K28 A29 Y34 F35 T36 L65K28-R32 VanDerWaalsContact O-CB 3.29Å; K28-R32 WeakPolarHBondContact O-CB 3.28Å; K28-R32 PolarHBondContact O-N 3.42Å; A29-R32 PolarHBondContact O-N 3.41Å; R32-Y34 VanDerWaalsContact C-N 3.29Å; R32-Y34 PolarHBondContact O-N 2.72Å; R32-F35 PolarHBondContact O-N 2.92Å; R32-T36 WeakPolarHBondContact O-CB 3.38Å; R32-T36 PolarHBondContact O-N 3.34Å; R32-T36 PolarHBondContact O-OG1 3.19Å; R32-L65 HydrophobicContact CB-CD1 3.89Å; R32-L65 HydrophobicContact CB-CD2 4.34Å; R32-L65 HydrophobicContact CG-CD2 4.44Å
33G96.7Very high94.8Very high52 Ų5264.8 Ų64.854%0.53636%0.356SS..Hα-helixtrans-56.2-42.2179.100000112.9A29 K30 I31A29-G33 PolarHBondContact O-N 3.15Å; K30-G33 PolarHBondContact O-N 3.48Å; I31-G33 PolarHBondContact O-N 3.48Å
34Y97.2Very high95Very high62 Ų6260.8 Ų60.824%0.24334%0.339CS..Hα-helixtrans-62.9-58175.4-173.6-87.2000111.8K30 I31 R32 T36 G37 V38 V47 K50 L51K30-Y34 PolarHBondContact O-N 2.96Å; I31-Y34 PolarHBondContact O-N 3.17Å; R32-Y34 VanDerWaalsContact C-N 3.29Å; R32-Y34 PolarHBondContact O-N 2.72Å; Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 2.91Å; Y34-G37 PolarHBondContact O-N 3.38Å; Y34-V38 HydrophobicContact CD1-CG2 3.81Å; Y34-V38 HydrophobicContact CE1-CG2 3.57Å; Y34-V38 WeakPolarHBondContact O-CG2 3.27Å; Y34-V38 PolarHBondContact O-N 3.48Å; Y34-V47 HydrophobicContact CD1-CG1 3.57Å; Y34-V47 HydrophobicContact CD1-CG2 4.34Å; Y34-V47 HydrophobicContact CE1-CB 4.17Å; Y34-V47 HydrophobicContact CE1-CG1 3.47Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.47Å; Y34-V47 HydrophobicContact CE1-CG2 3.49Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.49Å; Y34-V47 HydrophobicContact CG-CG1 4.17Å; Y34-K50 HydrophobicContact CE2-CD 4.11Å; Y34-L51 HydrophobicContact CD2-CD1 4.31Å; Y34-L51 HydrophobicContact CD2-CD2 3.89Å; Y34-L51 HydrophobicContact CD2-CG 4.42Å; Y34-L51 HydrophobicContact CE2-CD2 4.47Å; Y34-L51 HydrophobicContact CG-CD1 4.06Å; Y34-L51 HydrophobicContact CG-CD2 4.43Å
35F97Very high95.1Very high3 Ų361.5 Ų61.51%0.01335%0.346CS..Hα-helixtrans-69.9-25.4-172.4-76.8-78.1000113.7I31 R32 G37 V38 V42 L44 V47 I58 V62 L71 F82I31-F35 HydrophobicContact CG2-CD2 3.61Å; I31-F35 HydrophobicContact CG2-CE2 3.83Å; I31-F35 VanDerWaalsContact O-CD2 3.29Å; I31-F35 WeakPolarHBondContact O-CD2 3.4Å; I31-F35 PolarHBondContact O-N 3.13Å; R32-F35 PolarHBondContact O-N 2.92Å; F35-G37 PolarHBondContact O-N 3.01Å; F35-V38 HydrophobicContact CD1-CG2 4.31Å; F35-V38 PolarHBondContact O-N 2.89Å; F35-V42 HydrophobicContact CD1-CG2 4.24Å; F35-V42 HydrophobicContact CE1-CG2 3.66Å; F35-L44 HydrophobicContact CE1-CD2 3.75Å; F35-L44 HydrophobicContact CE2-CD2 4.43Å; F35-L44 HydrophobicContact CZ-CD2 3.41Å; F35-L44 VanDerWaalsContact CZ-CD2 3.41Å; F35-V47 HydrophobicContact CE1-CG2 4.47Å; F35-V47 HydrophobicContact CE2-CG1 3.93Å; F35-V47 HydrophobicContact CZ-CB 4.11Å; F35-V47 HydrophobicContact CZ-CG1 3.79Å; F35-V47 HydrophobicContact CZ-CG2 4.2Å; F35-I58 HydrophobicContact CE2-CD1 3.93Å; F35-I58 HydrophobicContact CE2-CG1 4.14Å; F35-I58 HydrophobicContact CZ-CD1 4.12Å; F35-V62 HydrophobicContact CD2-CG2 3.8Å; F35-V62 HydrophobicContact CE2-CG2 3.44Å; F35-V62 VanDerWaalsContact CE2-CG2 3.44Å; F35-V62 HydrophobicContact CZ-CG2 3.9Å; F35-L71 HydrophobicContact CB-CD1 3.57Å; F35-L71 HydrophobicContact CB-CD2 3.67Å; F35-L71 HydrophobicContact CB-CG 4.28Å; F35-L71 HydrophobicContact CG-CD2 4.17Å; F35-F82 HydrophobicContact CB-CE1 4.43Å; F35-F82 HydrophobicContact CD1-CB 4.2Å; F35-F82 AromaticContact CD1-CD1 3.43Å; F35-F82 HydrophobicContact CD1-CD1 3.43Å; F35-F82 VanDerWaalsContact CD1-CD1 3.43Å; F35-F82 AromaticContact CD1-CE1 3.84Å; F35-F82 HydrophobicContact CD1-CE1 3.84Å; F35-F82 AromaticContact CD1-CG 3.8Å; F35-F82 HydrophobicContact CD1-CG 3.8Å; F35-F82 HydrophobicContact CE1-CB 3.82Å; F35-F82 AromaticContact CE1-CD1 3.9Å; F35-F82 HydrophobicContact CE1-CD1 3.9Å; F35-F82 AromaticContact CE1-CG 3.95Å; F35-F82 HydrophobicContact CE1-CG 3.95Å
36T96.1Very high95.2Very high97 Ų9760.3 Ų60.360%0.59535%0.345SS*.Hα-helixtrans-62.3-30.4170.8-63.60000112.1R32 Y34R32-T36 WeakPolarHBondContact O-CB 3.38Å; R32-T36 PolarHBondContact O-N 3.34Å; R32-T36 PolarHBondContact O-OG1 3.19Å; Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 2.91Å
37G96Very high95.2Very high59 Ų5957.4 Ų57.461%0.60832%0.321SS*.THydrogen-bonded Turntrans-90-3.6178.200000114.8Y34 F35Y34-G37 PolarHBondContact O-N 3.38Å; F35-G37 PolarHBondContact O-N 3.01Å
38V96.4Very high95.3Very high16 Ų1657 Ų5710%0.09732%0.319CS..  trans-78.8125.7-178.5176.70000109.7Y34 F35 R40 V42 F82 P84Y34-V38 HydrophobicContact CD1-CG2 3.81Å; Y34-V38 HydrophobicContact CE1-CG2 3.57Å; Y34-V38 WeakPolarHBondContact O-CG2 3.27Å; Y34-V38 PolarHBondContact O-N 3.48Å; F35-V38 HydrophobicContact CD1-CG2 4.31Å; F35-V38 PolarHBondContact O-N 2.89Å; V38-R40 WeakPolarHBondContact CG1-O 3.43Å; V38-V42 HydrophobicContact CG1-CB 4.42Å; V38-V42 HydrophobicContact CG1-CG1 3.63Å; V38-V42 HydrophobicContact CG1-CG2 3.94Å; V38-V42 HydrophobicContact CG2-CG1 4.42Å; V38-V42 HydrophobicContact CG2-CG2 4.4Å; V38-F82 HydrophobicContact CG1-CD1 4.5Å; V38-P84 HydrophobicContact CB-CG 4.21Å; V38-P84 HydrophobicContact CG1-CG 3.64Å; V38-P84 VanDerWaalsContact O-CB 3.32Å; V38-P84 WeakPolarHBondContact O-CB 3.36Å; V38-P84 WeakPolarHBondContact O-CG 3.15Å
39I95.9Very high95.3Very high121 Ų12157.7 Ų57.762%0.62133%0.333SS*.  trans-113.3-1.518060.9164000114Y87I39-Y87 WeakPolarHBondContact O-CD2 3.36Å
40R93.9Very high95.2Very high180 Ų18062.4 Ų62.468%0.67934%0.344SS*.SBendtrans-135.7157.4177.9-71.6-176.2-179.7-176.5-0.5109.9V38 V42 Y87V38-R40 WeakPolarHBondContact CG1-O 3.43Å; R40-V42 PolarHBondContact O-N 3.26Å; R40-Y87 HydrophobicContact CB-CD2 4.44Å; R40-Y87 HydrophobicContact CG-CD2 4.18Å; R40-Y87 HydrophobicContact CG-CE2 4.2Å
41P93.6Very high95.2Very high54 Ų5458.1 Ų58.135%0.35133%0.326SS..  trans-53.3136.8175.1-26.935.2000112.2F82 V83 Y87P41-F82 WeakPolarHBondContact CA-O 2.92Å; P41-V83 HydrophobicContact CB-CG2 4.26Å; P41-V83 HydrophobicContact CG-CG1 4.39Å; P41-V83 HydrophobicContact CG-CG2 4.27Å; P41-Y87 HydrophobicContact CG-CD1 3.89Å; P41-Y87 HydrophobicContact CG-CE1 3.64Å; P41-Y87 HydrophobicContact CG-CE2 4.42Å; P41-Y87 HydrophobicContact CG-CG 4.39Å
42V95Very high95.1Very high33 Ų3366.7 Ų66.720%0.237%0.366CS..EExtended strand (participates in β ladder)trans-132.4147.7178.4-66.70000111.3F35 V38 R40 V47 G81 F82F35-V42 HydrophobicContact CD1-CG2 4.24Å; F35-V42 HydrophobicContact CE1-CG2 3.66Å; V38-V42 HydrophobicContact CG1-CB 4.42Å; V38-V42 HydrophobicContact CG1-CG1 3.63Å; V38-V42 HydrophobicContact CG1-CG2 3.94Å; V38-V42 HydrophobicContact CG2-CG1 4.42Å; V38-V42 HydrophobicContact CG2-CG2 4.4Å; R40-V42 PolarHBondContact O-N 3.26Å; V42-V47 HydrophobicContact CB-CG2 4.18Å; V42-V47 HydrophobicContact CG2-CG2 4.1Å; V42-G81 CarbonylContact O-C 3.58Å; V42-G81 WeakPolarHBondContact O-CA 3.49Å; V42-F82 HydrophobicContact CG2-CB 4.19Å; V42-F82 HydrophobicContact CG2-CD1 4.23Å; V42-F82 PolarHBondContact N-O 3.47Å; V42-F82 PolarHBondContact O-N 3.37Å
43N94.3Very high94.8Very high67 Ų6762 Ų6236%0.35835%0.35SS..EExtended strand (participates in β ladder)trans-83.7128.1172.1-169.6-44.7000110.8S45 S46 V47 S80N43-S45 PolarHBondContact O-N 3.41Å; N43-S45 PolarHBondContact OD1-N 3.28Å; N43-S45 PolarHBondContact OD1-OG 3.18Å; N43-S46 PolarHBondContact O-N 2.87Å; N43-V47 WeakPolarHBondContact O-CG2 3.47Å; N43-V47 PolarHBondContact O-N 2.93Å; N43-V47 VanDerWaalsContact O-N 3.08Å; N43-S80 CarbonylContact C-O 3.56Å; N43-S80 WeakPolarHBondContact CA-O 3.32Å; N43-S80 PolarHBondContact ND2-OG 3.41Å; N43-S80 PolarHBondContact OD1-O 3.01Å; N43-S80 VanDerWaalsContact OD1-O 3.04Å; N43-S80 PolarHBondContact OD1-OG 2.9Å
44L93.9Very high94.3Very high3 Ų361.9 Ų61.92%0.01634%0.339CS..Hα-helixtrans-62.2-36.2-179.8-62.4179.6000113F35 V47 A48 I58 N59 V62 L75 S80 F82F35-L44 HydrophobicContact CE1-CD2 3.75Å; F35-L44 HydrophobicContact CE2-CD2 4.43Å; F35-L44 HydrophobicContact CZ-CD2 3.41Å; F35-L44 VanDerWaalsContact CZ-CD2 3.41Å; L44-V47 PolarHBondContact O-N 3.32Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 2.91Å; L44-I58 HydrophobicContact CB-CG2 4.12Å; L44-N59 WeakPolarHBondContact CD1-OD1 3.5Å; L44-V62 HydrophobicContact CD2-CG2 4.3Å; L44-L75 HydrophobicContact CD1-CD2 3.75Å; L44-L75 HydrophobicContact CD2-CD2 4.41Å; L44-S80 WeakPolarHBondContact CB-O 3.33Å; L44-S80 PolarHBondContact N-O 2.88Å; L44-F82 HydrophobicContact CD2-CB 4.01Å
45S92.6Very high93.7Very high35 Ų3563.5 Ų63.525%0.24535%0.349CS..Hα-helixtrans-67-40.4177.963.30000111.5N43 V47 A48 S49 E55N43-S45 PolarHBondContact O-N 3.41Å; N43-S45 PolarHBondContact OD1-N 3.28Å; N43-S45 PolarHBondContact OD1-OG 3.18Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.49Å; S45-A48 WeakPolarHBondContact O-CB 3.3Å; S45-A48 PolarHBondContact O-N 2.98Å; S45-S49 WeakPolarHBondContact O-CB 3.19Å; S45-S49 PolarHBondContact O-N 2.95Å; S45-S49 PolarHBondContact O-OG 3.48Å; S45-E55 WeakPolarHBondContact CB-OE1 3.49Å
46S93.7Very high93Very high74 Ų7469.8 Ų69.852%0.51738%0.383SS..Hα-helixtrans-63.5-41174.6-510000111.4N43 K50N43-S46 PolarHBondContact O-N 2.87Å; S46-K50 VanDerWaalsContact O-CB 3.32Å; S46-K50 WeakPolarHBondContact O-CB 3.01Å; S46-K50 PolarHBondContact O-N 2.82Å
47V95.2Very high92.7Very high2 Ų265.4 Ų65.41%0.01236%0.356CS..Hα-helixtrans-69.2-40.7175.9-179.70000111.3Y34 F35 V42 N43 L44 S45 S49 K50 L51 I58Y34-V47 HydrophobicContact CD1-CG1 3.57Å; Y34-V47 HydrophobicContact CD1-CG2 4.34Å; Y34-V47 HydrophobicContact CE1-CB 4.17Å; Y34-V47 HydrophobicContact CE1-CG1 3.47Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.47Å; Y34-V47 HydrophobicContact CE1-CG2 3.49Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.49Å; Y34-V47 HydrophobicContact CG-CG1 4.17Å; F35-V47 HydrophobicContact CE1-CG2 4.47Å; F35-V47 HydrophobicContact CE2-CG1 3.93Å; F35-V47 HydrophobicContact CZ-CB 4.11Å; F35-V47 HydrophobicContact CZ-CG1 3.79Å; F35-V47 HydrophobicContact CZ-CG2 4.2Å; V42-V47 HydrophobicContact CB-CG2 4.18Å; V42-V47 HydrophobicContact CG2-CG2 4.1Å; N43-V47 WeakPolarHBondContact O-CG2 3.47Å; N43-V47 PolarHBondContact O-N 2.93Å; N43-V47 VanDerWaalsContact O-N 3.08Å; L44-V47 PolarHBondContact O-N 3.32Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.49Å; V47-S49 PolarHBondContact O-N 3.22Å; V47-K50 PolarHBondContact O-N 3.2Å; V47-L51 HydrophobicContact CG1-CD1 3.68Å; V47-L51 HydrophobicContact CG1-CG 4.03Å; V47-L51 WeakPolarHBondContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 2.7Å; V47-I58 HydrophobicContact CB-CD1 3.92Å; V47-I58 HydrophobicContact CG1-CD1 3.68Å
48A93.9Very high92.5Very high2 Ų262.6 Ų62.62%0.01733%0.327CS..Hα-helixtrans-57.7-49.1176.200000111.3L44 S45 K50 L51 Q52 I53 E55 I58L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 2.91Å; S45-A48 WeakPolarHBondContact O-CB 3.3Å; S45-A48 PolarHBondContact O-N 2.98Å; A48-K50 PolarHBondContact O-N 3.34Å; A48-L51 PolarHBondContact O-N 2.92Å; A48-Q52 WeakPolarHBondContact O-CA 3.47Å; A48-Q52 PolarHBondContact O-N 2.99Å; A48-I53 WeakPolarHBondContact CB-O 3.19Å; A48-I53 PolarHBondContact O-N 2.8Å; A48-E55 HydrophobicContact CB-CG 3.84Å; A48-I58 HydrophobicContact CB-CB 4.33Å; A48-I58 HydrophobicContact CB-CD1 4.07Å; A48-I58 HydrophobicContact CB-CG2 3.96Å
49S94.8Very high92.2Very high85 Ų8564.6 Ų64.659%0.59434%0.337SS*.Hα-helixtrans-59.2-47.4175.1-60.50000111.5S45 V47 L51 Q52S45-S49 WeakPolarHBondContact O-CB 3.19Å; S45-S49 PolarHBondContact O-N 2.95Å; S45-S49 PolarHBondContact O-OG 3.48Å; V47-S49 PolarHBondContact O-N 3.22Å; S49-L51 PolarHBondContact O-N 3.31Å; S49-Q52 PolarHBondContact O-N 3.4Å
50K95.2Very high91.9Very high146 Ų14661.2 Ų61.264%0.63532%0.324SS*.Hα-helixtrans-62.3-39.4179.5-177.9174.9-179.8177.50113.1Y34 S46 V47 A48 Q52Y34-K50 HydrophobicContact CE2-CD 4.11Å; S46-K50 VanDerWaalsContact O-CB 3.32Å; S46-K50 WeakPolarHBondContact O-CB 3.01Å; S46-K50 PolarHBondContact O-N 2.82Å; V47-K50 PolarHBondContact O-N 3.2Å; A48-K50 PolarHBondContact O-N 3.34Å; K50-Q52 VanDerWaalsContact C-N 3.33Å
51L94.8Very high91.8Very high18 Ų1853.5 Ų53.59%0.09430%0.296CS..Hα-helixtrans-87.6-4.1-179.8-61.7-177.6000113.1K30 Y34 V47 A48 S49 I53K30-L51 PolarHBondContact NZ-O 3.02Å; Y34-L51 HydrophobicContact CD2-CD1 4.31Å; Y34-L51 HydrophobicContact CD2-CD2 3.89Å; Y34-L51 HydrophobicContact CD2-CG 4.42Å; Y34-L51 HydrophobicContact CE2-CD2 4.47Å; Y34-L51 HydrophobicContact CG-CD1 4.06Å; Y34-L51 HydrophobicContact CG-CD2 4.43Å; V47-L51 HydrophobicContact CG1-CD1 3.68Å; V47-L51 HydrophobicContact CG1-CG 4.03Å; V47-L51 WeakPolarHBondContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 2.7Å; A48-L51 PolarHBondContact O-N 2.92Å; S49-L51 PolarHBondContact O-N 3.31Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 HydrophobicContact CB-CD1 3.61Å; L51-I53 HydrophobicContact CB-CG1 3.86Å; L51-I53 HydrophobicContact CD1-CD1 4.02Å; L51-I53 HydrophobicContact CG-CD1 4.49Å
52Q93.6Very high91.9Very high179 Ų17951 Ų5184%0.83628%0.28SS*.THydrogen-bonded Turntrans56.245.6-174.1-57.5175.10.700112.2A48 S49 K50A48-Q52 WeakPolarHBondContact O-CA 3.47Å; A48-Q52 PolarHBondContact O-N 2.99Å; S49-Q52 PolarHBondContact O-N 3.4Å; K50-Q52 VanDerWaalsContact C-N 3.33Å
53I90.6Very high91.8Very high15 Ų1552 Ų528%0.07729%0.288CS..  trans-114.6137.3-179.3-59.5171.5000108.4T27 K30 I31 A48 L51 E55 L57T27-I53 HydrophobicContact CG2-CD1 3.84Å; T27-I53 HydrophobicContact CG2-CG1 4.14Å; T27-I53 HydrophobicContact CG2-CG2 3.84Å; K30-I53 HydrophobicContact CD-CD1 4.45Å; I31-I53 HydrophobicContact CD1-CD1 3.88Å; I31-I53 HydrophobicContact CD1-CG2 4.37Å; I31-I53 HydrophobicContact CG1-CD1 3.53Å; A48-I53 WeakPolarHBondContact CB-O 3.19Å; A48-I53 PolarHBondContact O-N 2.8Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 HydrophobicContact CB-CD1 3.61Å; L51-I53 HydrophobicContact CB-CG1 3.86Å; L51-I53 HydrophobicContact CD1-CD1 4.02Å; L51-I53 HydrophobicContact CG-CD1 4.49Å; I53-E55 PolarHBondContact O-N 3.01Å; I53-L57 HydrophobicContact CG2-CB 4.02Å
54P87.1Confident91.8Very high49 Ų4950.8 Ų50.832%0.31829%0.285SS..  trans-54.2133.7171.3-25.533.5000112.4N56 L57 I58P54-N56 VanDerWaalsContact C-N 3.27Å; P54-N56 PolarHBondContact O-N 3.48Å; P54-L57 HydrophobicContact CB-CB 4.46Å; P54-L57 HydrophobicContact CB-CD1 4.26Å; P54-L57 HydrophobicContact CB-CG 4.33Å; P54-L57 HydrophobicContact CG-CD1 3.98Å; P54-L57 WeakPolarHBondContact O-CB 3.35Å; P54-L57 PolarHBondContact O-N 3.2Å; P54-I58 PolarHBondContact O-N 3.24Å; P54-I58 VanDerWaalsContact O-N 3.17Å
55E85.1Confident92Very high95 Ų9550.7 Ų50.744%0.44429%0.285SS..Hα-helixtrans-57.9-37.4-176.7-66.7-170.3169.300113.2S45 A48 I53 L57 I58 N59S45-E55 WeakPolarHBondContact CB-OE1 3.49Å; A48-E55 HydrophobicContact CB-CG 3.84Å; I53-E55 PolarHBondContact O-N 3.01Å; E55-L57 PolarHBondContact O-N 2.93Å; E55-I58 VanDerWaalsContact O-CG2 3.3Å; E55-I58 WeakPolarHBondContact O-CG2 3.27Å; E55-I58 PolarHBondContact O-N 2.94Å; E55-I58 VanDerWaalsContact O-N 3.15Å; E55-N59 PolarHBondContact O-N 3.48Å; E55-N59 PolarHBondContact O-ND2 3.19Å
56N81.9Confident92.1Very high136 Ų13651 Ų5173%0.72728%0.283SS*.Hα-helixtrans-63-31177.6-62.1-12000112.4P54 S60P54-N56 VanDerWaalsContact C-N 3.27Å; P54-N56 PolarHBondContact O-N 3.48Å; N56-S60 PolarHBondContact O-OG 3.33Å
57L88.6Confident92.2Very high4 Ų452.2 Ų52.22%0.02129%0.292CS..Hα-helixtrans-76.6-37.7175.3-71.9178.4000111.5Y14 F19 F23 L24 I53 P54 E55 N59 S60 I61Y14-L57 HydrophobicContact CD1-CD2 3.98Å; Y14-L57 HydrophobicContact CD2-CD2 4.44Å; Y14-L57 HydrophobicContact CE1-CD2 4.04Å; Y14-L57 HydrophobicContact CE2-CD2 4.46Å; Y14-L57 HydrophobicContact CG-CD2 4.18Å; F19-L57 HydrophobicContact CD2-CD1 4.45Å; F19-L57 HydrophobicContact CE1-CD1 4.08Å; F19-L57 HydrophobicContact CE2-CD1 3.94Å; F19-L57 HydrophobicContact CE2-CD2 4.49Å; F19-L57 HydrophobicContact CZ-CD1 3.73Å; F23-L57 HydrophobicContact CE1-CD1 4.28Å; L24-L57 HydrophobicContact CD2-CD2 4.24Å; I53-L57 HydrophobicContact CG2-CB 4.02Å; P54-L57 HydrophobicContact CB-CB 4.46Å; P54-L57 HydrophobicContact CB-CD1 4.26Å; P54-L57 HydrophobicContact CB-CG 4.33Å; P54-L57 HydrophobicContact CG-CD1 3.98Å; P54-L57 WeakPolarHBondContact O-CB 3.35Å; P54-L57 PolarHBondContact O-N 3.2Å; E55-L57 PolarHBondContact O-N 2.93Å; L57-N59 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-OG 2.75Å; L57-S60 VanDerWaalsContact O-OG 3.1Å; L57-I61 HydrophobicContact CB-CD1 4.31Å; L57-I61 VanDerWaalsContact O-CB 3.26Å; L57-I61 WeakPolarHBondContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.04Å
58I91.6Very high92.3Very high0 Ų055.8 Ų55.80%031%0.314CS..Hα-helixtrans-64.6-44.1-179.2-154167.9000111.2I31 F35 L44 V47 A48 P54 E55 I61 V62I31-I58 HydrophobicContact CD1-CG1 4.05Å; I31-I58 HydrophobicContact CG1-CG1 4.34Å; F35-I58 HydrophobicContact CE2-CD1 3.93Å; F35-I58 HydrophobicContact CE2-CG1 4.14Å; F35-I58 HydrophobicContact CZ-CD1 4.12Å; L44-I58 HydrophobicContact CB-CG2 4.12Å; V47-I58 HydrophobicContact CB-CD1 3.92Å; V47-I58 HydrophobicContact CG1-CD1 3.68Å; A48-I58 HydrophobicContact CB-CB 4.33Å; A48-I58 HydrophobicContact CB-CD1 4.07Å; A48-I58 HydrophobicContact CB-CG2 3.96Å; P54-I58 PolarHBondContact O-N 3.24Å; P54-I58 VanDerWaalsContact O-N 3.17Å; E55-I58 VanDerWaalsContact O-CG2 3.3Å; E55-I58 WeakPolarHBondContact O-CG2 3.27Å; E55-I58 PolarHBondContact O-N 2.94Å; E55-I58 VanDerWaalsContact O-N 3.15Å; I58-I61 PolarHBondContact O-N 2.89Å; I58-V62 HydrophobicContact CG1-CG2 4.09Å; I58-V62 VanDerWaalsContact O-CB 3.32Å; I58-V62 WeakPolarHBondContact O-CB 3.44Å; I58-V62 WeakPolarHBondContact O-CG2 3.16Å; I58-V62 PolarHBondContact O-N 3.01Å
59N90Very high92.4Very high58 Ų5857.5 Ų57.531%0.3133%0.331SS..Hα-helixtrans-62.6-48.1-178.3-69.9-34.2000111.6L44 E55 L57 S63L44-N59 WeakPolarHBondContact CD1-OD1 3.5Å; E55-N59 PolarHBondContact O-N 3.48Å; E55-N59 PolarHBondContact O-ND2 3.19Å; L57-N59 PolarHBondContact O-N 3.49Å; N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.48Å; N59-S63 PolarHBondContact O-N 3.42Å; N59-S63 PolarHBondContact O-OG 3.36Å
60S90.1Very high92.4Very high51 Ų5161.3 Ų61.336%0.35733%0.333SS..Hα-helixtrans-65.9-42.6-179.855.80000112.1N56 L57 S64N56-S60 PolarHBondContact O-OG 3.33Å; L57-S60 PolarHBondContact O-OG 2.75Å; L57-S60 VanDerWaalsContact O-OG 3.1Å; S60-S64 WeakPolarHBondContact O-CB 3.27Å; S60-S64 PolarHBondContact O-N 3.5Å
61I93.3Very high92.5Very high18 Ų1854.7 Ų54.79%0.09230%0.304CS..Hα-helixtrans-68.8-44.8179.7-67170.3000111.3T27 K28 I31 L57 I58 S63 S64 L65T27-I61 HydrophobicContact CG2-CD1 3.91Å; K28-I61 HydrophobicContact CB-CG2 4.13Å; K28-I61 HydrophobicContact CG-CG2 3.91Å; I31-I61 HydrophobicContact CB-CG2 4.13Å; I31-I61 HydrophobicContact CD1-CB 3.8Å; I31-I61 HydrophobicContact CD1-CD1 3.63Å; I31-I61 HydrophobicContact CD1-CG1 4.3Å; I31-I61 HydrophobicContact CD1-CG2 3.72Å; I31-I61 HydrophobicContact CG2-CG2 3.92Å; L57-I61 HydrophobicContact CB-CD1 4.31Å; L57-I61 VanDerWaalsContact O-CB 3.26Å; L57-I61 WeakPolarHBondContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 2.89Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.32Å; I61-S64 PolarHBondContact O-N 3.1Å; I61-L65 HydrophobicContact CG2-CD1 3.89Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.45Å
62V95.1Very high92.6Very high0 Ų061.6 Ų61.60%033%0.33CS..Hα-helixtrans-61.6-45.1177.5172.10000110.3I31 F35 L44 I58 S64 L65 I66 L71 L75 F82I31-V62 HydrophobicContact CG2-CG2 3.68Å; F35-V62 HydrophobicContact CD2-CG2 3.8Å; F35-V62 HydrophobicContact CE2-CG2 3.44Å; F35-V62 VanDerWaalsContact CE2-CG2 3.44Å; F35-V62 HydrophobicContact CZ-CG2 3.9Å; L44-V62 HydrophobicContact CD2-CG2 4.3Å; I58-V62 HydrophobicContact CG1-CG2 4.09Å; I58-V62 VanDerWaalsContact O-CB 3.32Å; I58-V62 WeakPolarHBondContact O-CB 3.44Å; I58-V62 WeakPolarHBondContact O-CG2 3.16Å; I58-V62 PolarHBondContact O-N 3.01Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.04Å; V62-L65 PolarHBondContact O-N 2.79Å; V62-I66 HydrophobicContact CG1-CD1 3.87Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 3.34Å; V62-L71 HydrophobicContact CG1-CD2 4.01Å; V62-L75 HydrophobicContact CG1-CD1 4.48Å; V62-L75 HydrophobicContact CG1-CD2 3.67Å; V62-L75 HydrophobicContact CG1-CG 4.31Å; V62-F82 HydrophobicContact CG1-CD2 4.24Å
63S93Very high92.7Very high54 Ų5453.3 Ų53.338%0.37829%0.293SS..Hα-helixtrans-58.2-45.7175.8-57.70000111.8N59 I61 L65 I66 S67 L75N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.48Å; N59-S63 PolarHBondContact O-N 3.42Å; N59-S63 PolarHBondContact O-OG 3.36Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.32Å; S63-L65 PolarHBondContact O-N 2.8Å; S63-I66 PolarHBondContact O-N 2.84Å; S63-S67 PolarHBondContact O-N 3.01Å; S63-S67 PolarHBondContact O-OG 3.4Å; S63-L75 WeakPolarHBondContact OG-CD1 3.35Å
64S94.3Very high92.8Very high43 Ų4357.9 Ų57.930%0.30132%0.318SS..Hα-helixtrans-63.5-39.1176.5175.40000112.6S60 I61 V62 I66 S67 T68S60-S64 WeakPolarHBondContact O-CB 3.27Å; S60-S64 PolarHBondContact O-N 3.5Å; I61-S64 PolarHBondContact O-N 3.1Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.04Å; S64-I66 VanDerWaalsContact C-N 3.34Å; S64-S67 PolarHBondContact O-OG 3.31Å; S64-S67 VanDerWaalsContact O-OG 3.13Å; S64-T68 WeakPolarHBondContact O-CB 3.29Å; S64-T68 VanDerWaalsContact O-CG2 3.27Å; S64-T68 WeakPolarHBondContact O-CG2 3.33Å; S64-T68 PolarHBondContact O-N 3.21Å; S64-T68 PolarHBondContact O-OG1 2.89Å
65L96.6Very high93.1Very high1 Ų158.3 Ų58.31%0.00532%0.317CS..Hα-helixtrans-67.3-36.5177.9-72.2170.2000111.6K28 I31 R32 I61 V62 S63 T68 G69 R70 L71K28-L65 HydrophobicContact CD-CD2 4.47Å; K28-L65 HydrophobicContact CG-CD2 4.13Å; I31-L65 HydrophobicContact CG2-CD1 3.97Å; R32-L65 HydrophobicContact CB-CD1 3.89Å; R32-L65 HydrophobicContact CB-CD2 4.34Å; R32-L65 HydrophobicContact CG-CD2 4.44Å; I61-L65 HydrophobicContact CG2-CD1 3.89Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.45Å; V62-L65 PolarHBondContact O-N 2.79Å; S63-L65 PolarHBondContact O-N 2.8Å; L65-T68 PolarHBondContact O-OG1 3.3Å; L65-G69 PolarHBondContact O-N 3.34Å; L65-R70 HydrophobicContact CB-CB 4.49Å; L65-R70 HydrophobicContact CD2-CB 3.81Å; L65-R70 CarbonylContact O-C 3.57Å; L65-R70 WeakPolarHBondContact O-CA 3.42Å; L65-R70 PolarHBondContact O-N 2.9Å; L65-L71 HydrophobicContact CB-CB 3.77Å; L65-L71 HydrophobicContact CB-CD2 4.48Å; L65-L71 PolarHBondContact O-N 2.93Å
66I96.3Very high93.1Very high41 Ų4156.7 Ų56.721%0.2131%0.31CS..Hα-helixtrans-68.1-50.1174.8-66.3165.3000110V62 S63 S64 T68 G69 L71 G73 L75 F82V62-I66 HydrophobicContact CG1-CD1 3.87Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 3.34Å; S63-I66 PolarHBondContact O-N 2.84Å; S64-I66 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 2.86Å; I66-G69 PolarHBondContact O-N 3.42Å; I66-L71 HydrophobicContact CG1-CB 4.25Å; I66-L71 HydrophobicContact CG1-CD2 4.15Å; I66-L71 HydrophobicContact CG1-CG 4.34Å; I66-G73 WeakPolarHBondContact CG2-O 3.32Å; I66-L75 HydrophobicContact CD1-CD2 4.29Å; I66-L75 HydrophobicContact CD1-CG 3.83Å; I66-F82 HydrophobicContact CD1-CD2 4.17Å; I66-F82 HydrophobicContact CD1-CE2 4.11Å; I66-F82 HydrophobicContact CG1-CE2 4.46Å
67S96.1Very high92.8Very high100 Ų10054.9 Ų54.970%0.69932%0.315SS*.Hα-helixtrans-63.5-28.9-177.574.70000113.1S63 S64 G69S63-S67 PolarHBondContact O-N 3.01Å; S63-S67 PolarHBondContact O-OG 3.4Å; S64-S67 PolarHBondContact O-OG 3.31Å; S64-S67 VanDerWaalsContact O-OG 3.13Å; S67-G69 VanDerWaalsContact C-N 3.32Å
68T96.5Very high92Very high77 Ų7759.2 Ų59.247%0.47236%0.36SS..THydrogen-bonded Turntrans-88.5517657.30000113.6S64 L65 I66 R70S64-T68 WeakPolarHBondContact O-CB 3.29Å; S64-T68 VanDerWaalsContact O-CG2 3.27Å; S64-T68 WeakPolarHBondContact O-CG2 3.33Å; S64-T68 PolarHBondContact O-N 3.21Å; S64-T68 PolarHBondContact O-OG1 2.89Å; L65-T68 PolarHBondContact O-OG1 3.3Å; I66-T68 PolarHBondContact O-N 2.86Å; T68-R70 PolarHBondContact O-N 3.45Å; T68-R70 WeakPolarHBondContact OG1-CG 3.48Å
69G95.7Very high90.8Very high37 Ų3768 Ų6838%0.38139%0.393SS..THydrogen-bonded Turntrans66.714.4-178.700000114.2L65 I66 S67L65-G69 PolarHBondContact O-N 3.34Å; I66-G69 PolarHBondContact O-N 3.42Å; S67-G69 VanDerWaalsContact C-N 3.32Å
70R96.2Very high90.5Very high166 Ų16667.7 Ų67.763%0.62640%0.396SS*.SBendtrans-85.9-12.5178.6-63.5-60.7-170174.7-0.2113.1L65 T68L65-R70 HydrophobicContact CB-CB 4.49Å; L65-R70 HydrophobicContact CD2-CB 3.81Å; L65-R70 CarbonylContact O-C 3.57Å; L65-R70 WeakPolarHBondContact O-CA 3.42Å; L65-R70 PolarHBondContact O-N 2.9Å; T68-R70 PolarHBondContact O-N 3.45Å; T68-R70 WeakPolarHBondContact OG1-CG 3.48Å
71L96.3Very high90.6Very high7 Ų765.7 Ų65.74%0.03738%0.383CS..SBendtrans-135.4128173.9-17863.8000109.8F35 V62 L65 I66 F82F35-L71 HydrophobicContact CB-CD1 3.57Å; F35-L71 HydrophobicContact CB-CD2 3.67Å; F35-L71 HydrophobicContact CB-CG 4.28Å; F35-L71 HydrophobicContact CG-CD2 4.17Å; V62-L71 HydrophobicContact CG1-CD2 4.01Å; L65-L71 HydrophobicContact CB-CB 3.77Å; L65-L71 HydrophobicContact CB-CD2 4.48Å; L65-L71 PolarHBondContact O-N 2.93Å; I66-L71 HydrophobicContact CG1-CB 4.25Å; I66-L71 HydrophobicContact CG1-CD2 4.15Å; I66-L71 HydrophobicContact CG1-CG 4.34Å; L71-F82 HydrophobicContact CD1-CZ 3.94Å; L71-F82 HydrophobicContact CD2-CD2 4.28Å; L71-F82 HydrophobicContact CD2-CE2 3.61Å; L71-F82 HydrophobicContact CD2-CZ 3.83Å; L71-F82 HydrophobicContact CG-CE2 3.85Å; L71-F82 HydrophobicContact CG-CZ 3.78Å
72Y96Very high90.7Very high162 Ų16264.9 Ų64.964%0.63538%0.379SS*.  trans-98.5102.5-177.9-64.3-82000111K85Y72-K85 PolarHBondContact O-N 3.14Å
73G95.7Very high90.6Very high6 Ų666 Ų666%0.06239%0.386CS..EExtended strand (participates in β ladder)trans165.1180178.800000109.6I66 V83I66-G73 WeakPolarHBondContact CG2-O 3.32Å; G73-V83 CarbonylContact C-O 3.52Å; G73-V83 WeakPolarHBondContact CA-O 3.24Å
74N94.4Very high90.8Very high111 Ų11163.6 Ų63.659%0.59437%0.369SS*.EExtended strand (participates in β ladder)trans-125.7147.9-177.7-67.2-49.7000110.6V83N74-V83 PolarHBondContact N-O 3.35Å; N74-V83 PolarHBondContact O-N 3.05Å
75L92.7Very high90.9Very high58 Ų5867.9 Ų67.930%0.30438%0.382SS..EExtended strand (participates in β ladder)trans-80.4137.8163.8-66.4-177.2000109.1L44 V62 S63 I66 A77 G81 F82L44-L75 HydrophobicContact CD1-CD2 3.75Å; L44-L75 HydrophobicContact CD2-CD2 4.41Å; V62-L75 HydrophobicContact CG1-CD1 4.48Å; V62-L75 HydrophobicContact CG1-CD2 3.67Å; V62-L75 HydrophobicContact CG1-CG 4.31Å; S63-L75 WeakPolarHBondContact OG-CD1 3.35Å; I66-L75 HydrophobicContact CD1-CD2 4.29Å; I66-L75 HydrophobicContact CD1-CG 3.83Å; L75-A77 PolarHBondContact O-N 2.96Å; L75-G81 WeakPolarHBondContact CA-O 3.09Å; L75-F82 HydrophobicContact CD2-CB 4.19Å; L75-F82 HydrophobicContact CD2-CD2 4.32Å
76I85.7Confident90.8Very high60 Ų6071.1 Ų71.131%0.30840%0.404SS..PPolyproline II helixtrans-77.6118.9177.5-55.5170.3000108.2G78 R79 G81 V83I76-G78 PolarHBondContact O-N 3.41Å; I76-R79 HydrophobicContact CB-CB 4.01Å; I76-R79 HydrophobicContact CG2-CB 3.85Å; I76-R79 HydrophobicContact CG2-CG 4.04Å; I76-R79 CarbonylContact O-C 3.5Å; I76-R79 PolarHBondContact O-N 2.89Å; I76-G81 PolarHBondContact N-O 3.27Å; I76-V83 HydrophobicContact CD1-CG2 3.65Å; I76-V83 HydrophobicContact CG1-CG2 3.62Å
77A74.4Confident90.7Very high99 Ų9971.2 Ų71.282%0.81840%0.402SS*.THydrogen-bonded Turntrans-55.9132.4179.800000111.7L75 R79L75-A77 PolarHBondContact O-N 2.96Å; A77-R79 PolarHBondContact O-N 3.08Å; A77-R79 VanDerWaalsContact O-N 3.1Å
78G72.8Confident90.6Very high95 Ų9568.8 Ų68.898%0.97938%0.383SS*.THydrogen-bonded Turntrans69.4-2.1-178.500000115.5I76I76-G78 PolarHBondContact O-N 3.41Å
79R66.6Low90.5Very high184 Ų18472.7 Ų72.769%0.69439%0.39SS*.SBendtrans-121.5143.7176.5-59.8-174.1-178.7175.5-1.9109.9I76 A77 G81I76-R79 HydrophobicContact CB-CB 4.01Å; I76-R79 HydrophobicContact CG2-CB 3.85Å; I76-R79 HydrophobicContact CG2-CG 4.04Å; I76-R79 CarbonylContact O-C 3.5Å; I76-R79 PolarHBondContact O-N 2.89Å; A77-R79 PolarHBondContact O-N 3.08Å; A77-R79 VanDerWaalsContact O-N 3.1Å; R79-G81 PolarHBondContact O-N 2.87Å
80S82.7Confident90.4Very high52 Ų5273.6 Ų73.636%0.36439%0.394SS..SBendtrans-7853.4174.858.20000111.2N43 L44N43-S80 CarbonylContact C-O 3.56Å; N43-S80 WeakPolarHBondContact CA-O 3.32Å; N43-S80 PolarHBondContact ND2-OG 3.41Å; N43-S80 PolarHBondContact OD1-O 3.01Å; N43-S80 VanDerWaalsContact OD1-O 3.04Å; N43-S80 PolarHBondContact OD1-OG 2.9Å; L44-S80 WeakPolarHBondContact CB-O 3.33Å; L44-S80 PolarHBondContact N-O 2.88Å
81G92Very high90.2Very high8 Ų866.8 Ų66.88%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-127.4145.6-174.100000113.2V42 L75 I76 R79V42-G81 CarbonylContact O-C 3.58Å; V42-G81 WeakPolarHBondContact O-CA 3.49Å; L75-G81 WeakPolarHBondContact CA-O 3.09Å; I76-G81 PolarHBondContact N-O 3.27Å; R79-G81 PolarHBondContact O-N 2.87Å
82F94.9Very high90.1Very high1 Ų168.5 Ų68.50%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-113.1130.8171.7171.2-100.8000109.9F35 V38 P41 V42 L44 V62 I66 L71 L75 P84F35-F82 HydrophobicContact CB-CE1 4.43Å; F35-F82 HydrophobicContact CD1-CB 4.2Å; F35-F82 AromaticContact CD1-CD1 3.43Å; F35-F82 HydrophobicContact CD1-CD1 3.43Å; F35-F82 VanDerWaalsContact CD1-CD1 3.43Å; F35-F82 AromaticContact CD1-CE1 3.84Å; F35-F82 HydrophobicContact CD1-CE1 3.84Å; F35-F82 AromaticContact CD1-CG 3.8Å; F35-F82 HydrophobicContact CD1-CG 3.8Å; F35-F82 HydrophobicContact CE1-CB 3.82Å; F35-F82 AromaticContact CE1-CD1 3.9Å; F35-F82 HydrophobicContact CE1-CD1 3.9Å; F35-F82 AromaticContact CE1-CG 3.95Å; F35-F82 HydrophobicContact CE1-CG 3.95Å; V38-F82 HydrophobicContact CG1-CD1 4.5Å; P41-F82 WeakPolarHBondContact CA-O 2.92Å; V42-F82 HydrophobicContact CG2-CB 4.19Å; V42-F82 HydrophobicContact CG2-CD1 4.23Å; V42-F82 PolarHBondContact N-O 3.47Å; V42-F82 PolarHBondContact O-N 3.37Å; L44-F82 HydrophobicContact CD2-CB 4.01Å; V62-F82 HydrophobicContact CG1-CD2 4.24Å; I66-F82 HydrophobicContact CD1-CD2 4.17Å; I66-F82 HydrophobicContact CD1-CE2 4.11Å; I66-F82 HydrophobicContact CG1-CE2 4.46Å; L71-F82 HydrophobicContact CD1-CZ 3.94Å; L71-F82 HydrophobicContact CD2-CD2 4.28Å; L71-F82 HydrophobicContact CD2-CE2 3.61Å; L71-F82 HydrophobicContact CD2-CZ 3.83Å; L71-F82 HydrophobicContact CG-CE2 3.85Å; L71-F82 HydrophobicContact CG-CZ 3.78Å; L75-F82 HydrophobicContact CD2-CB 4.19Å; L75-F82 HydrophobicContact CD2-CD2 4.32Å; F82-P84 HydrophobicContact CD1-CG 4.19Å; F82-P84 HydrophobicContact CE1-CB 4.09Å; F82-P84 HydrophobicContact CE1-CG 3.76Å
83V94.5Very high90Very high25 Ų2563.4 Ų63.415%0.15237%0.365CS..EExtended strand (participates in β ladder)trans-111.6115.5173.7-177.50000108.8P41 G73 N74 I76 Y87P41-V83 HydrophobicContact CB-CG2 4.26Å; P41-V83 HydrophobicContact CG-CG1 4.39Å; P41-V83 HydrophobicContact CG-CG2 4.27Å; G73-V83 CarbonylContact C-O 3.52Å; G73-V83 WeakPolarHBondContact CA-O 3.24Å; N74-V83 PolarHBondContact N-O 3.35Å; N74-V83 PolarHBondContact O-N 3.05Å; I76-V83 HydrophobicContact CD1-CG2 3.65Å; I76-V83 HydrophobicContact CG1-CG2 3.62Å; V83-Y87 HydrophobicContact CG1-CD1 3.95Å
84P96.3Very high89.9Confident3 Ų368.1 Ų68.12%0.01938%0.381CS..EExtended strand (participates in β ladder)trans-63.7143175.9-18.329.8000111.8V38 F82 C86 Y87 T88V38-P84 HydrophobicContact CB-CG 4.21Å; V38-P84 HydrophobicContact CG1-CG 3.64Å; V38-P84 VanDerWaalsContact O-CB 3.32Å; V38-P84 WeakPolarHBondContact O-CB 3.36Å; V38-P84 WeakPolarHBondContact O-CG 3.15Å; F82-P84 HydrophobicContact CD1-CG 4.19Å; F82-P84 HydrophobicContact CE1-CB 4.09Å; F82-P84 HydrophobicContact CE1-CG 3.76Å; P84-C86 VanDerWaalsContact C-N 3.27Å; P84-C86 PolarHBondContact O-N 2.97Å; P84-Y87 WeakPolarHBondContact O-CB 3.32Å; P84-Y87 PolarHBondContact O-N 3.19Å; P84-Y87 VanDerWaalsContact O-N 3.11Å; P84-T88 PolarHBondContact O-N 2.59Å
85K95.9Very high90Very high133 Ų13363 Ų6358%0.57835%0.354SS*.Hα-helixtrans-61.7-35.7177.6-174.8175-178.8178.80112.6Y72 Y87 T88 Y89Y72-K85 PolarHBondContact O-N 3.14Å; K85-Y87 PolarHBondContact O-N 3.47Å; K85-T88 PolarHBondContact O-N 3.18Å; K85-Y89 WeakPolarHBondContact O-CB 3.32Å; K85-Y89 PolarHBondContact O-N 3.47Å
86C96.2Very high90.2Very high69 Ų6962.6 Ų62.647%0.46635%0.352SS..Hα-helixtrans-64.4-30.2177.857.80000112.8P84 A90P84-C86 VanDerWaalsContact C-N 3.27Å; P84-C86 PolarHBondContact O-N 2.97Å; C86-A90 WeakPolarHBondContact O-CB 3.35Å; C86-A90 PolarHBondContact O-N 3.38Å
87Y94.3Very high90.7Very high42 Ų4262.2 Ų62.217%0.16535%0.354CS..Hα-helixtrans-68.1-53.9176.8179.4-94.2000110.4I39 R40 P41 V83 P84 K85 Y89 A90 E91I39-Y87 WeakPolarHBondContact O-CD2 3.36Å; R40-Y87 HydrophobicContact CB-CD2 4.44Å; R40-Y87 HydrophobicContact CG-CD2 4.18Å; R40-Y87 HydrophobicContact CG-CE2 4.2Å; P41-Y87 HydrophobicContact CG-CD1 3.89Å; P41-Y87 HydrophobicContact CG-CE1 3.64Å; P41-Y87 HydrophobicContact CG-CE2 4.42Å; P41-Y87 HydrophobicContact CG-CG 4.39Å; V83-Y87 HydrophobicContact CG1-CD1 3.95Å; P84-Y87 WeakPolarHBondContact O-CB 3.32Å; P84-Y87 PolarHBondContact O-N 3.19Å; P84-Y87 VanDerWaalsContact O-N 3.11Å; K85-Y87 PolarHBondContact O-N 3.47Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.42Å; Y87-A90 WeakPolarHBondContact O-CB 3.48Å; Y87-A90 PolarHBondContact O-N 3.11Å; Y87-A90 VanDerWaalsContact O-N 3.09Å; Y87-E91 HydrophobicContact CD1-CG 4.47Å; Y87-E91 HydrophobicContact CE1-CG 4.08Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.46Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.41Å; Y87-E91 PolarHBondContact O-N 2.88Å; Y87-E91 PolarHBondContact OH-OE1 3.01Å
88T92.1Very high91.6Very high49 Ų4959.5 Ų59.530%0.30132%0.324SS..Hα-helixtrans-57.8-45.2176.1-53.50000111.2P84 K85 A90 E91 D92P84-T88 PolarHBondContact O-N 2.59Å; K85-T88 PolarHBondContact O-N 3.18Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.95Å; T88-E91 WeakPolarHBondContact O-CB 3.36Å; T88-E91 PolarHBondContact O-N 3.38Å; T88-E91 VanDerWaalsContact O-N 3.11Å; T88-D92 PolarHBondContact O-N 3.25Å
89Y94.5Very high92.7Very high159 Ų15955.9 Ų55.962%0.62428%0.281SS*.Hα-helixtrans-57.6-40.6176.2178.4-95000113.1K85 Y87 T93K85-Y89 WeakPolarHBondContact O-CB 3.32Å; K85-Y89 PolarHBondContact O-N 3.47Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.42Å; Y89-T93 VanDerWaalsContact O-CB 3.27Å; Y89-T93 WeakPolarHBondContact O-CB 3.15Å; Y89-T93 PolarHBondContact O-N 3.06Å; Y89-T93 PolarHBondContact O-OG1 2.91Å
90A94Very high94.1Very high56 Ų5651.6 Ų51.646%0.46328%0.28SS..Hα-helixtrans-67.8-38.9177.400000112C86 Y87 T88 Y94C86-A90 WeakPolarHBondContact O-CB 3.35Å; C86-A90 PolarHBondContact O-N 3.38Å; Y87-A90 WeakPolarHBondContact O-CB 3.48Å; Y87-A90 PolarHBondContact O-N 3.11Å; Y87-A90 VanDerWaalsContact O-N 3.09Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.95Å; A90-Y94 VanDerWaalsContact O-CB 3.25Å; A90-Y94 WeakPolarHBondContact O-CB 3.17Å; A90-Y94 PolarHBondContact O-N 3.31Å
91E92.6Very high94.6Very high23 Ų2356.5 Ų56.511%0.10730%0.297CS..Hα-helixtrans-63-50.2174.1-69.9-178.7143.400111.4Y87 T88 T93 Y94 I95Y87-E91 HydrophobicContact CD1-CG 4.47Å; Y87-E91 HydrophobicContact CE1-CG 4.08Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.46Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.41Å; Y87-E91 PolarHBondContact O-N 2.88Å; Y87-E91 PolarHBondContact OH-OE1 3.01Å; T88-E91 WeakPolarHBondContact O-CB 3.36Å; T88-E91 PolarHBondContact O-N 3.38Å; T88-E91 VanDerWaalsContact O-N 3.11Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 3.21Å; E91-Y94 WeakPolarHBondContact O-CB 3.38Å; E91-Y94 PolarHBondContact O-N 3.49Å; E91-Y94 VanDerWaalsContact O-N 3.17Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.46Å; E91-I95 PolarHBondContact O-N 3.07Å
92D93.2Very high94.7Very high43 Ų4359.3 Ų59.323%0.2331%0.31CS..Hα-helixtrans-58.4-48179-57.6-16.6000110.1T88 Y94 I95 N96 Y121T88-D92 PolarHBondContact O-N 3.25Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.38Å; D92-I95 PolarHBondContact O-N 3.03Å; D92-N96 WeakPolarHBondContact O-CB 3.13Å; D92-N96 PolarHBondContact O-N 2.62Å; D92-N96 PolarHBondContact O-ND2 3.09Å; D92-Y121 WeakPolarHBondContact CA-OH 3.33Å; D92-Y121 PolarHBondContact OD1-OH 2.82Å
93T95.4Very high94.6Very high56 Ų5659.8 Ų59.834%0.34432%0.315SS..Hα-helixtrans-60.8-41.8178.5-590000111.7Y89 E91 S97Y89-T93 VanDerWaalsContact O-CB 3.27Å; Y89-T93 WeakPolarHBondContact O-CB 3.15Å; Y89-T93 PolarHBondContact O-N 3.06Å; Y89-T93 PolarHBondContact O-OG1 2.91Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 3.21Å; T93-S97 VanDerWaalsContact O-CB 3.32Å; T93-S97 WeakPolarHBondContact O-CB 2.99Å; T93-S97 PolarHBondContact O-N 3.03Å; T93-S97 PolarHBondContact O-OG 3.26Å
94Y93.8Very high94.6Very high105 Ų10559.6 Ų59.641%0.41231%0.312SS..Hα-helixtrans-64.1-48.7178.2178.3-86.6000111A90 E91 D92 N96 S97 F98 Y109A90-Y94 VanDerWaalsContact O-CB 3.25Å; A90-Y94 WeakPolarHBondContact O-CB 3.17Å; A90-Y94 PolarHBondContact O-N 3.31Å; E91-Y94 WeakPolarHBondContact O-CB 3.38Å; E91-Y94 PolarHBondContact O-N 3.49Å; E91-Y94 VanDerWaalsContact O-N 3.17Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.38Å; Y94-N96 PolarHBondContact O-N 3.11Å; Y94-S97 PolarHBondContact O-N 3.23Å; Y94-F98 HydrophobicContact CE1-CB 4.29Å; Y94-F98 HydrophobicContact CE1-CD2 4.44Å; Y94-F98 WeakPolarHBondContact O-CB 3.28Å; Y94-F98 PolarHBondContact O-N 2.87Å; Y94-Y109 HydrophobicContact CD1-CE1 4.11Å; Y94-Y109 AromaticContact CE1-CE1 3.4Å; Y94-Y109 HydrophobicContact CE1-CE1 3.4Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.4Å; Y94-Y109 AromaticContact CE1-CZ 3.58Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.4Å; Y94-Y109 PolarHBondContact OH-OH 3.01Å
95I95.6Very high94.6Very high3 Ų359.6 Ų59.62%0.01531%0.312CS..Hα-helixtrans-63.4-43.9-178.5-66.8163.5000110.5E91 D92 S97 F98 Y99 V105 L110 L113 I115 Y121 L122 F126E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.46Å; E91-I95 PolarHBondContact O-N 3.07Å; D92-I95 PolarHBondContact O-N 3.03Å; I95-S97 VanDerWaalsContact C-N 3.33Å; I95-S97 PolarHBondContact O-N 2.88Å; I95-F98 PolarHBondContact O-N 3.17Å; I95-Y99 WeakPolarHBondContact O-CB 3.41Å; I95-Y99 PolarHBondContact O-N 3.4Å; I95-V105 HydrophobicContact CG2-CG2 4.46Å; I95-L110 HydrophobicContact CD1-CD1 4.44Å; I95-L110 HydrophobicContact CD1-CD2 4.44Å; I95-L110 HydrophobicContact CD1-CG 4.11Å; I95-L113 HydrophobicContact CD1-CD1 4.1Å; I95-L113 HydrophobicContact CG1-CD1 4.1Å; I95-I115 HydrophobicContact CD1-CD1 3.56Å; I95-Y121 HydrophobicContact CD1-CE1 3.75Å; I95-Y121 HydrophobicContact CG2-CE1 4.13Å; I95-L122 HydrophobicContact CG2-CD2 4.2Å; I95-F126 HydrophobicContact CG2-CE2 3.83Å; I95-F126 HydrophobicContact CG2-CZ 3.98Å
96N96.1Very high94.4Very high50 Ų5055.5 Ų55.527%0.26729%0.294SS..Hα-helixtrans-58.1-45.7174.3-84.6-74.4000111.9D92 Y94 S100 E125 F126D92-N96 WeakPolarHBondContact O-CB 3.13Å; D92-N96 PolarHBondContact O-N 2.62Å; D92-N96 PolarHBondContact O-ND2 3.09Å; Y94-N96 PolarHBondContact O-N 3.11Å; N96-S100 WeakPolarHBondContact O-CB 3.44Å; N96-S100 PolarHBondContact O-N 3.28Å; N96-S100 PolarHBondContact O-OG 3Å; N96-E125 PolarHBondContact ND2-OE1 2.89Å; N96-F126 WeakPolarHBondContact OD1-CE1 3.47Å
97S96.5Very high94.3Very high51 Ų5154.2 Ų54.236%0.35728%0.28SS..Hα-helixtrans-65.8-43.2179.2-62.30000111.6T93 Y94 I95 S100 Q101T93-S97 VanDerWaalsContact O-CB 3.32Å; T93-S97 WeakPolarHBondContact O-CB 2.99Å; T93-S97 PolarHBondContact O-N 3.03Å; T93-S97 PolarHBondContact O-OG 3.26Å; Y94-S97 PolarHBondContact O-N 3.23Å; I95-S97 VanDerWaalsContact C-N 3.33Å; I95-S97 PolarHBondContact O-N 2.88Å; S97-S100 PolarHBondContact O-N 2.93Å; S97-Q101 WeakPolarHBondContact O-CB 3.24Å; S97-Q101 VanDerWaalsContact O-CG 3.25Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 3.11Å
98F94.6Very high94.1Very high42 Ų4255.6 Ų55.618%0.18429%0.29CS..Hα-helixtrans-61.3-49177.4-175.2-83.8000111.2Y94 I95 S100 Q101 N102 Y104 V105Y94-F98 HydrophobicContact CE1-CB 4.29Å; Y94-F98 HydrophobicContact CE1-CD2 4.44Å; Y94-F98 WeakPolarHBondContact O-CB 3.28Å; Y94-F98 PolarHBondContact O-N 2.87Å; I95-F98 PolarHBondContact O-N 3.17Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.35Å; F98-Q101 PolarHBondContact O-N 2.79Å; F98-N102 HydrophobicContact CD1-CB 4.5Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.5Å; F98-N102 HydrophobicContact CE1-CB 4.21Å; F98-N102 HydrophobicContact CZ-CB 4.46Å; F98-N102 WeakPolarHBondContact O-CB 3.48Å; F98-N102 PolarHBondContact O-N 3.31Å; F98-N102 PolarHBondContact O-ND2 2.76Å; F98-Y104 VanDerWaalsContact CD1-O 3.27Å; F98-Y104 WeakPolarHBondContact CD1-O 3.3Å; F98-Y104 WeakPolarHBondContact CE1-O 3.49Å; F98-V105 HydrophobicContact CD1-CG2 4.12Å
99Y95.9Very high94Very high19 Ų1956.5 Ų56.58%0.07529%0.288CS..Hα-helixtrans-62.2-41.6177.6179.4-110.4000111.9I95 Q101 G103 V105 F126 A129 T136 N138I95-Y99 WeakPolarHBondContact O-CB 3.41Å; I95-Y99 PolarHBondContact O-N 3.4Å; Y99-Q101 VanDerWaalsContact C-N 3.32Å; Y99-Q101 PolarHBondContact O-N 3.01Å; Y99-G103 WeakPolarHBondContact O-CA 3.37Å; Y99-G103 PolarHBondContact O-N 2.79Å; Y99-V105 HydrophobicContact CD2-CG2 3.92Å; Y99-V105 HydrophobicContact CG-CG2 4.23Å; Y99-F126 AromaticContact CD1-CD1 3.61Å; Y99-F126 HydrophobicContact CD1-CD1 3.61Å; Y99-F126 HydrophobicContact CD1-CD2 4.33Å; Y99-F126 AromaticContact CD1-CE1 3.53Å; Y99-F126 HydrophobicContact CD1-CE1 3.53Å; Y99-F126 HydrophobicContact CD1-CE2 4.26Å; Y99-F126 HydrophobicContact CD1-CG 4.03Å; Y99-F126 AromaticContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD2-CD2 4.5Å; Y99-F126 HydrophobicContact CD2-CE2 4.48Å; Y99-F126 HydrophobicContact CE1-CB 4.43Å; Y99-F126 AromaticContact CE1-CD1 3.82Å; Y99-F126 HydrophobicContact CE1-CD1 3.82Å; Y99-F126 HydrophobicContact CE1-CE1 4.22Å; Y99-F126 HydrophobicContact CE1-CG 4.06Å; Y99-F126 HydrophobicContact CG-CD1 4.27Å; Y99-F126 HydrophobicContact CG-CD2 4.23Å; Y99-F126 HydrophobicContact CG-CE1 4.01Å; Y99-F126 AromaticContact CG-CE2 3.96Å; Y99-F126 HydrophobicContact CG-CE2 3.96Å; Y99-F126 HydrophobicContact CG-CG 4.39Å; Y99-F126 AromaticContact CG-CZ 3.84Å; Y99-F126 HydrophobicContact CG-CZ 3.84Å; Y99-A129 HydrophobicContact CE2-CB 4.47Å; Y99-A129 WeakPolarHBondContact OH-CB 3.4Å; Y99-T136 HydrophobicContact CE2-CG2 4.49Å; Y99-N138 HydrophobicContact CE2-CB 4.05Å; Y99-N138 WeakPolarHBondContact OH-CA 3.39Å; Y99-N138 WeakPolarHBondContact OH-CB 3.47Å
100S94.9Very high93.9Very high95 Ų9548.9 Ų48.966%0.66426%0.258SS*.Hα-helixtrans-65.2-35.9178.9-59.20000112.7N96 S97 F98N96-S100 WeakPolarHBondContact O-CB 3.44Å; N96-S100 PolarHBondContact O-N 3.28Å; N96-S100 PolarHBondContact O-OG 3Å; S97-S100 PolarHBondContact O-N 2.93Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.35Å
101Q93.6Very high93.7Very high154 Ų15451.7 Ų51.772%0.7226%0.26SS*.Hα-helixtrans-80.4-40.3-179.3-71.9172.522.900112.9S97 F98 Y99S97-Q101 WeakPolarHBondContact O-CB 3.24Å; S97-Q101 VanDerWaalsContact O-CG 3.25Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 3.11Å; F98-Q101 PolarHBondContact O-N 2.79Å; Y99-Q101 VanDerWaalsContact C-N 3.32Å; Y99-Q101 PolarHBondContact O-N 3.01Å
102N92.9Very high93.5Very high68 Ų6860.3 Ų60.336%0.36429%0.292SS..Hα-helixtrans-103.3-19.2-170.7-61.2-75.6000113.1F98 Y104F98-N102 HydrophobicContact CD1-CB 4.5Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.5Å; F98-N102 HydrophobicContact CE1-CB 4.21Å; F98-N102 HydrophobicContact CZ-CB 4.46Å; F98-N102 WeakPolarHBondContact O-CB 3.48Å; F98-N102 PolarHBondContact O-N 3.31Å; F98-N102 PolarHBondContact O-ND2 2.76Å; N102-Y104 HydrophobicContact CB-CD1 3.84Å; N102-Y104 HydrophobicContact CB-CE1 3.69Å; N102-Y104 WeakPolarHBondContact O-CD1 3.47Å; N102-Y104 PolarHBondContact O-N 2.91Å
103G94Very high93.2Very high10 Ų1060 Ų6010%0.10329%0.29CS..SBendtrans73.78.2-176.700000114.3Y99 N138 I141Y99-G103 WeakPolarHBondContact O-CA 3.37Å; Y99-G103 PolarHBondContact O-N 2.79Å; G103-N138 WeakPolarHBondContact O-CB 3.41Å; G103-N138 PolarHBondContact O-N 2.95Å; G103-I141 WeakPolarHBondContact O-CD1 3.47Å
104Y94.9Very high92.7Very high22 Ų2263.1 Ų63.19%0.08630%0.304CS..EExtended strand (participates in β ladder)trans-149.8165.8175.475.2-76.1000111.7F98 N102 E106 L135 T136 P166 L169F98-Y104 VanDerWaalsContact CD1-O 3.27Å; F98-Y104 WeakPolarHBondContact CD1-O 3.3Å; F98-Y104 WeakPolarHBondContact CE1-O 3.49Å; N102-Y104 HydrophobicContact CB-CD1 3.84Å; N102-Y104 HydrophobicContact CB-CE1 3.69Å; N102-Y104 WeakPolarHBondContact O-CD1 3.47Å; N102-Y104 PolarHBondContact O-N 2.91Å; Y104-E106 HydrophobicContact CD2-CG 4.38Å; Y104-E106 HydrophobicContact CE2-CG 4.09Å; Y104-L135 HydrophobicContact CD2-CD1 3.79Å; Y104-L135 HydrophobicContact CG-CD1 4.4Å; Y104-T136 CarbonylContact C-O 3.47Å; Y104-T136 WeakPolarHBondContact CA-O 3.25Å; Y104-T136 WeakPolarHBondContact CB-O 3.37Å; Y104-P166 HydrophobicContact CD1-CB 3.45Å; Y104-P166 VanDerWaalsContact CD1-CB 3.45Å; Y104-P166 HydrophobicContact CD1-CG 3.6Å; Y104-P166 HydrophobicContact CD2-CB 4.35Å; Y104-P166 HydrophobicContact CE1-CB 3.25Å; Y104-P166 HydrophobicContact CE1-CG 3.96Å; Y104-P166 HydrophobicContact CE2-CB 4.15Å; Y104-P166 HydrophobicContact CG-CB 4.03Å; Y104-P166 HydrophobicContact CG-CG 3.99Å; Y104-L169 HydrophobicContact CD2-CD2 3.74Å; Y104-L169 HydrophobicContact CE2-CD2 3.82Å
105V95.3Very high92.4Very high3 Ų358.9 Ų58.92%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-145.7123.4173-179.60000110I95 F98 Y99 L110 L122 F126 T136I95-V105 HydrophobicContact CG2-CG2 4.46Å; F98-V105 HydrophobicContact CD1-CG2 4.12Å; Y99-V105 HydrophobicContact CD2-CG2 3.92Å; Y99-V105 HydrophobicContact CG-CG2 4.23Å; V105-L110 HydrophobicContact CG1-CD1 3.23Å; V105-L122 HydrophobicContact CB-CD1 4.45Å; V105-L122 HydrophobicContact CB-CD2 4.29Å; V105-L122 HydrophobicContact CG1-CD1 4.11Å; V105-L122 HydrophobicContact CG1-CD2 4.02Å; V105-L122 HydrophobicContact CG2-CD2 4.49Å; V105-F126 HydrophobicContact CG2-CE2 4.23Å; V105-T136 PolarHBondContact N-O 3.37Å; V105-T136 PolarHBondContact O-N 2.98Å
106E93Very high92Very high46 Ų4664.4 Ų64.422%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-77.6133.4171.6-65.5160.9-115.100111Y104 N108 Y109 L169Y104-E106 HydrophobicContact CD2-CG 4.38Å; Y104-E106 HydrophobicContact CE2-CG 4.09Å; E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.38Å; E106-Y109 VanDerWaalsContact O-CB 3.3Å; E106-Y109 WeakPolarHBondContact O-CB 3.35Å; E106-Y109 PolarHBondContact O-N 3.3Å; E106-Y109 VanDerWaalsContact O-N 3.16Å; E106-L169 HydrophobicContact CG-CD2 4.38Å
107W93.6Very high91.8Very high43 Ų4365.8 Ų65.816%0.16333%0.332CS..Hα-helixtrans-70.1-28.7-179.3-66.913.8000112Y109 L110 K111 P118 S119 L122 H131 L132 G134 T136W107-Y109 PolarHBondContact O-N 2.71Å; W107-L110 PolarHBondContact O-N 3.1Å; W107-K111 PolarHBondContact O-N 3.3Å; W107-K111 VanDerWaalsContact O-N 3.16Å; W107-P118 HydrophobicContact CB-CB 3.7Å; W107-P118 HydrophobicContact CB-CG 4.14Å; W107-P118 HydrophobicContact CD2-CB 4.26Å; W107-P118 HydrophobicContact CG-CB 3.87Å; W107-P118 WeakPolarHBondContact O-CG 3.25Å; W107-S119 WeakPolarHBondContact CH2-OG 3.32Å; W107-L122 HydrophobicContact CG-CD1 4.26Å; W107-H131 HydrophobicContact CZ2-CB 4.44Å; W107-L132 WeakPolarHBondContact CZ2-O 3.37Å; W107-G134 WeakPolarHBondContact CB-O 3.27Å; W107-G134 VanDerWaalsContact CG-C 3.43Å; W107-G134 PolarHBondContact N-O 3.38Å; W107-T136 PolarHBondContact NE1-OG1 3.33Å
108N89.6Confident91.7Very high70 Ų7063.6 Ų63.637%0.37432%0.317SS..Hα-helixtrans-63.8-30.7174.7-74.7-28.3000111.9E106 K111 R112E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.38Å; N108-K111 PolarHBondContact O-N 3.16Å; N108-R112 WeakPolarHBondContact O-CG 3.41Å; N108-R112 PolarHBondContact O-N 3.16Å
109Y89Confident91.7Very high68 Ų6862.7 Ų62.727%0.26732%0.315SS..Hα-helixtrans-64.6-43.6174.4-171.3-95.7000111.3Y94 E106 W107 K111 R112 L113Y94-Y109 HydrophobicContact CD1-CE1 4.11Å; Y94-Y109 AromaticContact CE1-CE1 3.4Å; Y94-Y109 HydrophobicContact CE1-CE1 3.4Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.4Å; Y94-Y109 AromaticContact CE1-CZ 3.58Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.4Å; Y94-Y109 PolarHBondContact OH-OH 3.01Å; E106-Y109 VanDerWaalsContact O-CB 3.3Å; E106-Y109 WeakPolarHBondContact O-CB 3.35Å; E106-Y109 PolarHBondContact O-N 3.3Å; E106-Y109 VanDerWaalsContact O-N 3.16Å; W107-Y109 PolarHBondContact O-N 2.71Å; Y109-K111 PolarHBondContact O-N 3.22Å; Y109-R112 WeakPolarHBondContact O-CB 3.38Å; Y109-R112 PolarHBondContact O-N 3.19Å; Y109-R112 VanDerWaalsContact O-N 3.1Å; Y109-L113 HydrophobicContact CD1-CD1 4.08Å; Y109-L113 HydrophobicContact CD1-CG 4.44Å; Y109-L113 HydrophobicContact CE1-CD1 3.6Å; Y109-L113 HydrophobicContact CE1-CD2 4.49Å; Y109-L113 HydrophobicContact CE1-CG 4.05Å; Y109-L113 PolarHBondContact O-N 3.09Å
110L92.9Very high91.7Very high0 Ų064.7 Ų64.70%033%0.333CS..Hα-helixtrans-64.6-37.4177.5-89.170.4000112.9I95 V105 W107 R112 L113 N114 I115 P118 Y121 L122I95-L110 HydrophobicContact CD1-CD1 4.44Å; I95-L110 HydrophobicContact CD1-CD2 4.44Å; I95-L110 HydrophobicContact CD1-CG 4.11Å; V105-L110 HydrophobicContact CG1-CD1 3.23Å; W107-L110 PolarHBondContact O-N 3.1Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-L113 CarbonylContact O-C 3.57Å; L110-L113 WeakPolarHBondContact O-CA 3.48Å; L110-L113 WeakPolarHBondContact O-CB 3.45Å; L110-L113 PolarHBondContact O-N 3.37Å; L110-N114 PolarHBondContact O-N 3.06Å; L110-I115 HydrophobicContact CB-CB 4.17Å; L110-I115 HydrophobicContact CD2-CD1 4.21Å; L110-I115 HydrophobicContact CD2-CG2 4.42Å; L110-I115 HydrophobicContact CG-CD1 4.1Å; L110-I115 WeakPolarHBondContact O-CB 3.3Å; L110-I115 PolarHBondContact O-N 2.93Å; L110-P118 HydrophobicContact CB-CB 3.89Å; L110-P118 HydrophobicContact CB-CG 3.91Å; L110-P118 HydrophobicContact CD2-CB 3.98Å; L110-Y121 HydrophobicContact CD2-CD1 3.48Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.48Å; L110-Y121 HydrophobicContact CD2-CE1 4Å; L110-Y121 HydrophobicContact CD2-CG 4.29Å; L110-L122 HydrophobicContact CD1-CD1 4.48Å; L110-L122 HydrophobicContact CD2-CD1 3.81Å; L110-L122 HydrophobicContact CD2-CD2 3.76Å; L110-L122 HydrophobicContact CD2-CG 3.58Å
111K90.8Very high91.7Very high115 Ų11562.2 Ų62.250%0.531%0.309SS..Hα-helixtrans-59.9-36.7173.7-67.8176.5-174.9168.50111.8W107 N108 Y109 L113 N114 P118W107-K111 PolarHBondContact O-N 3.3Å; W107-K111 VanDerWaalsContact O-N 3.16Å; N108-K111 PolarHBondContact O-N 3.16Å; Y109-K111 PolarHBondContact O-N 3.22Å; K111-L113 VanDerWaalsContact C-N 3.28Å; K111-L113 PolarHBondContact O-N 3.38Å; K111-N114 PolarHBondContact O-N 2.81Å; K111-P118 HydrophobicContact CG-CG 3.74Å
112R88.6Confident91.8Very high203 Ų20354.9 Ų54.977%0.76628%0.275SS*.Hα-helixtrans-69.6-26.8175.6-65.5173.1-177.21743.4112.4N108 Y109 L110 N114N108-R112 WeakPolarHBondContact O-CG 3.41Å; N108-R112 PolarHBondContact O-N 3.16Å; Y109-R112 WeakPolarHBondContact O-CB 3.38Å; Y109-R112 PolarHBondContact O-N 3.19Å; Y109-R112 VanDerWaalsContact O-N 3.1Å; L110-R112 PolarHBondContact O-N 3.43Å; R112-N114 PolarHBondContact O-N 3.46Å
113L86.3Confident92Very high36 Ų3656.9 Ų56.919%0.18828%0.28CS..THydrogen-bonded Turntrans-81.114.1168.8-61.5-178.1000113.1I95 Y109 L110 K111 I115I95-L113 HydrophobicContact CD1-CD1 4.1Å; I95-L113 HydrophobicContact CG1-CD1 4.1Å; Y109-L113 HydrophobicContact CD1-CD1 4.08Å; Y109-L113 HydrophobicContact CD1-CG 4.44Å; Y109-L113 HydrophobicContact CE1-CD1 3.6Å; Y109-L113 HydrophobicContact CE1-CD2 4.49Å; Y109-L113 HydrophobicContact CE1-CG 4.05Å; Y109-L113 PolarHBondContact O-N 3.09Å; L110-L113 CarbonylContact O-C 3.57Å; L110-L113 WeakPolarHBondContact O-CA 3.48Å; L110-L113 WeakPolarHBondContact O-CB 3.45Å; L110-L113 PolarHBondContact O-N 3.37Å; K111-L113 VanDerWaalsContact C-N 3.28Å; K111-L113 PolarHBondContact O-N 3.38Å; L113-I115 HydrophobicContact CB-CG1 4.47Å; L113-I115 PolarHBondContact O-N 2.96Å
114N84.3Confident92.1Very high122 Ų12261.9 Ų61.965%0.65231%0.309SS*.THydrogen-bonded Turntrans61.423.6-178.2-54-68.3000115L110 K111 R112 P116L110-N114 PolarHBondContact O-N 3.06Å; K111-N114 PolarHBondContact O-N 2.81Å; R112-N114 PolarHBondContact O-N 3.46Å; N114-P116 VanDerWaalsContact O-CD 3.24Å; N114-P116 WeakPolarHBondContact O-CD 3.39Å
115I88.9Confident92.1Very high17 Ų1763.9 Ų63.99%0.08732%0.319CS..  trans-88.3104.3169.2-56.2-177.4000107.4I95 L110 L113 D117 Y121I95-I115 HydrophobicContact CD1-CD1 3.56Å; L110-I115 HydrophobicContact CB-CB 4.17Å; L110-I115 HydrophobicContact CD2-CD1 4.21Å; L110-I115 HydrophobicContact CD2-CG2 4.42Å; L110-I115 HydrophobicContact CG-CD1 4.1Å; L110-I115 WeakPolarHBondContact O-CB 3.3Å; L110-I115 PolarHBondContact O-N 2.93Å; L113-I115 HydrophobicContact CB-CG1 4.47Å; L113-I115 PolarHBondContact O-N 2.96Å; I115-D117 PolarHBondContact O-N 3.47Å; I115-Y121 HydrophobicContact CD1-CD1 4.36Å; I115-Y121 HydrophobicContact CD1-CD2 4.15Å; I115-Y121 HydrophobicContact CD1-CE1 4.27Å; I115-Y121 HydrophobicContact CD1-CE2 4.02Å; I115-Y121 HydrophobicContact CD1-CG 4.32Å; I115-Y121 HydrophobicContact CG2-CD2 4.13Å; I115-Y121 HydrophobicContact CG2-CG 3.92Å
116P85.6Confident92.1Very high119 Ų11964.4 Ų64.477%0.77332%0.321SS*.SBendtrans-73.9-28.4-167.829.8-35.6000113.2N114 P118N114-P116 VanDerWaalsContact O-CD 3.24Å; N114-P116 WeakPolarHBondContact O-CD 3.39Å; P116-P118 VanDerWaalsContact C-CD 3.48Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å
117D92.3Very high92.3Very high79 Ų7967.1 Ų67.142%0.42234%0.342SS..  trans-120.181.3176.1-174.8-0.9000110.6I115 S119 S120 Y121I115-D117 PolarHBondContact O-N 3.47Å; D117-S119 PolarHBondContact O-N 3.45Å; D117-S119 PolarHBondContact OD1-N 3.48Å; D117-S120 PolarHBondContact OD1-N 2.91Å; D117-S120 VanDerWaalsContact OD1-N 3.14Å; D117-S120 WeakPolarHBondContact OD2-CB 3.33Å; D117-S120 PolarHBondContact OD2-OG 3.48Å; D117-Y121 WeakPolarHBondContact O-CB 3.26Å; D117-Y121 PolarHBondContact O-N 2.82Å
118P94.6Very high92.4Very high5 Ų569.6 Ų69.63%0.03237%0.367CS..Hα-helixtrans-58.3-30.5176.8-25.534.3000113.5W107 L110 K111 P116 L122W107-P118 HydrophobicContact CB-CB 3.7Å; W107-P118 HydrophobicContact CB-CG 4.14Å; W107-P118 HydrophobicContact CD2-CB 4.26Å; W107-P118 HydrophobicContact CG-CB 3.87Å; W107-P118 WeakPolarHBondContact O-CG 3.25Å; L110-P118 HydrophobicContact CB-CB 3.89Å; L110-P118 HydrophobicContact CB-CG 3.91Å; L110-P118 HydrophobicContact CD2-CB 3.98Å; K111-P118 HydrophobicContact CG-CG 3.74Å; P116-P118 VanDerWaalsContact C-CD 3.48Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-L122 VanDerWaalsContact O-CB 3.29Å; P118-L122 WeakPolarHBondContact O-CB 3.21Å; P118-L122 VanDerWaalsContact O-CG 3.24Å; P118-L122 WeakPolarHBondContact O-CG 3.32Å; P118-L122 PolarHBondContact O-N 3.34Å
119S94.6Very high92.7Very high22 Ų2266.8 Ų66.815%0.15435%0.353CS..Hα-helixtrans-68.3-51.4-175.3-166.20000110.7W107 D117 Y121 K123W107-S119 WeakPolarHBondContact CH2-OG 3.32Å; D117-S119 PolarHBondContact O-N 3.45Å; D117-S119 PolarHBondContact OD1-N 3.48Å; S119-Y121 VanDerWaalsContact C-N 3.35Å; S119-K123 WeakPolarHBondContact O-CB 3.44Å; S119-K123 VanDerWaalsContact O-CG 3.28Å; S119-K123 WeakPolarHBondContact O-CG 3.4Å; S119-K123 PolarHBondContact O-N 3.22Å
120S95.3Very high93Very high62 Ų6266.3 Ų66.343%0.43435%0.354SS..Hα-helixtrans-66.2-39.7178.9-61.50000111.6D117 T124D117-S120 PolarHBondContact OD1-N 2.91Å; D117-S120 VanDerWaalsContact OD1-N 3.14Å; D117-S120 WeakPolarHBondContact OD2-CB 3.33Å; D117-S120 PolarHBondContact OD2-OG 3.48Å; S120-T124 PolarHBondContact O-N 2.97Å; S120-T124 PolarHBondContact O-OG1 2.93Å
121Y95.2Very high93.1Very high43 Ų4368.7 Ų68.717%0.16937%0.365CS..Hα-helixtrans-59.2-55.3175.5177-84.6000111.2D92 I95 L110 I115 D117 S119 K123 T124 E125D92-Y121 WeakPolarHBondContact CA-OH 3.33Å; D92-Y121 PolarHBondContact OD1-OH 2.82Å; I95-Y121 HydrophobicContact CD1-CE1 3.75Å; I95-Y121 HydrophobicContact CG2-CE1 4.13Å; L110-Y121 HydrophobicContact CD2-CD1 3.48Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.48Å; L110-Y121 HydrophobicContact CD2-CE1 4Å; L110-Y121 HydrophobicContact CD2-CG 4.29Å; I115-Y121 HydrophobicContact CD1-CD1 4.36Å; I115-Y121 HydrophobicContact CD1-CD2 4.15Å; I115-Y121 HydrophobicContact CD1-CE1 4.27Å; I115-Y121 HydrophobicContact CD1-CE2 4.02Å; I115-Y121 HydrophobicContact CD1-CG 4.32Å; I115-Y121 HydrophobicContact CG2-CD2 4.13Å; I115-Y121 HydrophobicContact CG2-CG 3.92Å; D117-Y121 WeakPolarHBondContact O-CB 3.26Å; D117-Y121 PolarHBondContact O-N 2.82Å; S119-Y121 VanDerWaalsContact C-N 3.35Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.15Å; Y121-T124 WeakPolarHBondContact O-CB 3.09Å; Y121-T124 PolarHBondContact O-N 2.76Å; Y121-T124 VanDerWaalsContact O-N 3.11Å; Y121-E125 HydrophobicContact CE1-CB 4.2Å; Y121-E125 HydrophobicContact CE1-CG 4.29Å; Y121-E125 WeakPolarHBondContact O-CB 3.11Å; Y121-E125 PolarHBondContact O-N 2.99Å
122L97Very high93.2Very high0 Ų064.6 Ų64.60%035%0.349CS..Hα-helixtrans-68.7-29.4-175.2-68.8168.8000113.2I95 V105 W107 L110 P118 T124 F126 H131 T136I95-L122 HydrophobicContact CG2-CD2 4.2Å; V105-L122 HydrophobicContact CB-CD1 4.45Å; V105-L122 HydrophobicContact CB-CD2 4.29Å; V105-L122 HydrophobicContact CG1-CD1 4.11Å; V105-L122 HydrophobicContact CG1-CD2 4.02Å; V105-L122 HydrophobicContact CG2-CD2 4.49Å; W107-L122 HydrophobicContact CG-CD1 4.26Å; L110-L122 HydrophobicContact CD1-CD1 4.48Å; L110-L122 HydrophobicContact CD2-CD1 3.81Å; L110-L122 HydrophobicContact CD2-CD2 3.76Å; L110-L122 HydrophobicContact CD2-CG 3.58Å; P118-L122 VanDerWaalsContact O-CB 3.29Å; P118-L122 WeakPolarHBondContact O-CB 3.21Å; P118-L122 VanDerWaalsContact O-CG 3.24Å; P118-L122 WeakPolarHBondContact O-CG 3.32Å; P118-L122 PolarHBondContact O-N 3.34Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-F126 HydrophobicContact CD2-CD2 3.66Å; L122-F126 HydrophobicContact CD2-CE2 3.57Å; L122-F126 CarbonylContact O-C 3.58Å; L122-F126 WeakPolarHBondContact O-CA 3.33Å; L122-F126 PolarHBondContact O-N 2.87Å; L122-H131 PolarHBondContact O-CE1 2.97Å; L122-H131 VanDerWaalsContact O-CE1 3.31Å; L122-T136 WeakPolarHBondContact CD1-OG1 3.45Å
123K96.1Very high93.2Very high110 Ų11060 Ų6048%0.47835%0.346SS..Hα-helixtrans-68.3-32173.2-77.8172.2178.9173.60112.8S119 Y121 P127S119-K123 WeakPolarHBondContact O-CB 3.44Å; S119-K123 VanDerWaalsContact O-CG 3.28Å; S119-K123 WeakPolarHBondContact O-CG 3.4Å; S119-K123 PolarHBondContact O-N 3.22Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.15Å; K123-P127 WeakPolarHBondContact O-CA 3.15Å
124T95.7Very high93.5Very high114 Ų11459.2 Ų59.270%0.69935%0.345SS*.Hα-helixtrans-75.6-43.7175.4-53.80000110.1S120 Y121 L122S120-T124 PolarHBondContact O-N 2.97Å; S120-T124 PolarHBondContact O-OG1 2.93Å; Y121-T124 WeakPolarHBondContact O-CB 3.09Å; Y121-T124 PolarHBondContact O-N 2.76Å; Y121-T124 VanDerWaalsContact O-N 3.11Å; L122-T124 VanDerWaalsContact C-N 3.3Å
125E94.9Very high93.9Very high64 Ų6453.4 Ų53.430%0.29932%0.315SS..Hα-helixtrans-75.5-38.6-175.5-155.363.6-172.200112.9N96 Y121 P127N96-E125 PolarHBondContact ND2-OE1 2.89Å; Y121-E125 HydrophobicContact CE1-CB 4.2Å; Y121-E125 HydrophobicContact CE1-CG 4.29Å; Y121-E125 WeakPolarHBondContact O-CB 3.11Å; Y121-E125 PolarHBondContact O-N 2.99Å; E125-P127 WeakPolarHBondContact O-CD 3.27Å
126F96.5Very high94.3Very high14 Ų1452.6 Ų52.66%0.06131%0.31CS..  trans-128.266.5-177.2-50.3-55.2000111.6I95 N96 Y99 V105 L122 S128 A129 H131 T136I95-F126 HydrophobicContact CG2-CE2 3.83Å; I95-F126 HydrophobicContact CG2-CZ 3.98Å; N96-F126 WeakPolarHBondContact OD1-CE1 3.47Å; Y99-F126 AromaticContact CD1-CD1 3.61Å; Y99-F126 HydrophobicContact CD1-CD1 3.61Å; Y99-F126 HydrophobicContact CD1-CD2 4.33Å; Y99-F126 AromaticContact CD1-CE1 3.53Å; Y99-F126 HydrophobicContact CD1-CE1 3.53Å; Y99-F126 HydrophobicContact CD1-CE2 4.26Å; Y99-F126 HydrophobicContact CD1-CG 4.03Å; Y99-F126 AromaticContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD2-CD2 4.5Å; Y99-F126 HydrophobicContact CD2-CE2 4.48Å; Y99-F126 HydrophobicContact CE1-CB 4.43Å; Y99-F126 AromaticContact CE1-CD1 3.82Å; Y99-F126 HydrophobicContact CE1-CD1 3.82Å; Y99-F126 HydrophobicContact CE1-CE1 4.22Å; Y99-F126 HydrophobicContact CE1-CG 4.06Å; Y99-F126 HydrophobicContact CG-CD1 4.27Å; Y99-F126 HydrophobicContact CG-CD2 4.23Å; Y99-F126 HydrophobicContact CG-CE1 4.01Å; Y99-F126 AromaticContact CG-CE2 3.96Å; Y99-F126 HydrophobicContact CG-CE2 3.96Å; Y99-F126 HydrophobicContact CG-CG 4.39Å; Y99-F126 AromaticContact CG-CZ 3.84Å; Y99-F126 HydrophobicContact CG-CZ 3.84Å; V105-F126 HydrophobicContact CG2-CE2 4.23Å; L122-F126 HydrophobicContact CD2-CD2 3.66Å; L122-F126 HydrophobicContact CD2-CE2 3.57Å; L122-F126 CarbonylContact O-C 3.58Å; L122-F126 WeakPolarHBondContact O-CA 3.33Å; L122-F126 PolarHBondContact O-N 2.87Å; F126-S128 PolarHBondContact O-N 2.76Å; F126-S128 VanDerWaalsContact O-N 3.15Å; F126-A129 HydrophobicContact CB-CB 3.76Å; F126-A129 VanDerWaalsContact O-CB 3.26Å; F126-A129 WeakPolarHBondContact O-CB 3.48Å; F126-A129 PolarHBondContact O-N 2.86Å; F126-H131 PolarHBondContact O-CE1 2.74Å; F126-H131 PolarHBondContact O-NE2 2.92Å; F126-T136 HydrophobicContact CD2-CG2 4.49Å
127P96.1Very high94.8Very high103 Ų10347 Ų4767%0.66927%0.274SS*.THydrogen-bonded Turntrans-65-22.5-17326.1-35.7000114.2K123 E125K123-P127 WeakPolarHBondContact O-CA 3.15Å; E125-P127 WeakPolarHBondContact O-CD 3.27Å
128S95.2Very high95Very high96 Ų9645 Ų4567%0.67126%0.263SS*.THydrogen-bonded Turntrans-87.7-4.617657.50000113.6F126 P139F126-S128 PolarHBondContact O-N 2.76Å; F126-S128 VanDerWaalsContact O-N 3.15Å; S128-P139 WeakPolarHBondContact O-CG 3.49Å
129A97.2Very high95Very high11 Ų1146.4 Ų46.49%0.09127%0.272CS..SBendtrans-77.7161.518000000112.1Y99 F126 H131 T136Y99-A129 HydrophobicContact CE2-CB 4.47Å; Y99-A129 WeakPolarHBondContact OH-CB 3.4Å; F126-A129 HydrophobicContact CB-CB 3.76Å; F126-A129 VanDerWaalsContact O-CB 3.26Å; F126-A129 WeakPolarHBondContact O-CB 3.48Å; F126-A129 PolarHBondContact O-N 2.86Å; A129-H131 PolarHBondContact O-CD2 3.36Å; A129-T136 HydrophobicContact CB-CG2 3.49Å; A129-T136 VanDerWaalsContact CB-CG2 3.49Å
130I95.1Very high95Very high57 Ų5751.2 Ų51.229%0.29230%0.295SS..EExtended strand (participates in β ladder)trans-91.7119.2172.6-63.1170.2000107.7L132 T136 V137 P139 V142I130-L132 HydrophobicContact CG2-CD2 4.17Å; I130-L132 HydrophobicContact CG2-CG 4.23Å; I130-T136 CarbonylContact O-C 3.46Å; I130-T136 WeakPolarHBondContact O-CA 3.41Å; I130-V137 PolarHBondContact N-O 2.79Å; I130-V137 PolarHBondContact O-N 3.02Å; I130-P139 HydrophobicContact CD1-CB 4.32Å; I130-P139 HydrophobicContact CG1-CG 4.34Å; I130-V142 HydrophobicContact CD1-CB 3.77Å; I130-V142 HydrophobicContact CD1-CG1 4.01Å; I130-V142 HydrophobicContact CD1-CG2 3.54Å
131H95.3Very high94.9Very high51 Ų5149.2 Ų49.224%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-102.3104.3-178.8-56.5-71.2000110.7W107 L122 F126 A129 T136W107-H131 HydrophobicContact CZ2-CB 4.44Å; L122-H131 PolarHBondContact O-CE1 2.97Å; L122-H131 VanDerWaalsContact O-CE1 3.31Å; F126-H131 PolarHBondContact O-CE1 2.74Å; F126-H131 PolarHBondContact O-NE2 2.92Å; A129-H131 PolarHBondContact O-CD2 3.36Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.18Å; H131-T136 PolarHBondContact ND1-OG1 2.97Å
132L92.4Very high94.9Very high29 Ų2947.7 Ų47.715%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-95.6161.1173-57.5172.5000109.9W107 I130 G134 L135 L177W107-L132 WeakPolarHBondContact CZ2-O 3.37Å; I130-L132 HydrophobicContact CG2-CD2 4.17Å; I130-L132 HydrophobicContact CG2-CG 4.23Å; L132-G134 PolarHBondContact O-N 3.46Å; L132-L135 CarbonylContact C-O 3.43Å; L132-L135 WeakPolarHBondContact CA-O 3.42Å; L132-L135 HydrophobicContact CB-CB 4.36Å; L132-L135 WeakPolarHBondContact CB-O 3.16Å; L132-L135 HydrophobicContact CD1-CD2 4.31Å; L132-L135 PolarHBondContact N-O 3.32Å; L132-L135 PolarHBondContact O-N 2.91Å; L132-L135 VanDerWaalsContact O-N 3.09Å; L132-L177 HydrophobicContact CD1-CB 4.01Å; L132-L177 HydrophobicContact CD1-CD1 3.94Å
133P88.8Confident94.8Very high107 Ų10751.6 Ų51.670%0.69530%0.296SS*.THydrogen-bonded Turntrans-58.1112.3173.9-23.334.4000111L135P133-L135 VanDerWaalsContact C-N 3.33Å
134G91.6Very high94.8Very high18 Ų1850.9 Ų50.919%0.18629%0.294CS..THydrogen-bonded Turntrans87.8-8.5179.700000115.3W107 L132W107-G134 WeakPolarHBondContact CB-O 3.27Å; W107-G134 VanDerWaalsContact CG-C 3.43Å; W107-G134 PolarHBondContact N-O 3.38Å; L132-G134 PolarHBondContact O-N 3.46Å
135L94.6Very high94.8Very high1 Ų145.5 Ų45.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-145.4130.8-169.6175.862.8000111.9Y104 L132 P133 V137 L169 E173Y104-L135 HydrophobicContact CD2-CD1 3.79Å; Y104-L135 HydrophobicContact CG-CD1 4.4Å; L132-L135 CarbonylContact C-O 3.43Å; L132-L135 WeakPolarHBondContact CA-O 3.42Å; L132-L135 HydrophobicContact CB-CB 4.36Å; L132-L135 WeakPolarHBondContact CB-O 3.16Å; L132-L135 HydrophobicContact CD1-CD2 4.31Å; L132-L135 PolarHBondContact N-O 3.32Å; L132-L135 PolarHBondContact O-N 2.91Å; L132-L135 VanDerWaalsContact O-N 3.09Å; P133-L135 VanDerWaalsContact C-N 3.33Å; L135-V137 HydrophobicContact CD1-CG2 3.82Å; L135-V137 HydrophobicContact CD2-CG2 3.47Å; L135-V137 VanDerWaalsContact CD2-CG2 3.47Å; L135-V137 HydrophobicContact CG-CG2 3.43Å; L135-V137 VanDerWaalsContact CG-CG2 3.43Å; L135-L169 HydrophobicContact CD1-CD2 3.42Å; L135-L169 VanDerWaalsContact CD1-CD2 3.42Å; L135-L169 HydrophobicContact CD2-CD1 3.67Å; L135-L169 HydrophobicContact CD2-CD2 3.65Å; L135-L169 HydrophobicContact CD2-CG 4.29Å; L135-L169 HydrophobicContact CG-CD2 4.14Å; L135-E173 HydrophobicContact CB-CG 4.38Å; L135-E173 HydrophobicContact CD2-CB 4.25Å
136T96.4Very high94.8Very high0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-109128.6167.5-65.30000109.1Y99 Y104 V105 W107 L122 F126 A129 I130 H131Y99-T136 HydrophobicContact CE2-CG2 4.49Å; Y104-T136 CarbonylContact C-O 3.47Å; Y104-T136 WeakPolarHBondContact CA-O 3.25Å; Y104-T136 WeakPolarHBondContact CB-O 3.37Å; V105-T136 PolarHBondContact N-O 3.37Å; V105-T136 PolarHBondContact O-N 2.98Å; W107-T136 PolarHBondContact NE1-OG1 3.33Å; L122-T136 WeakPolarHBondContact CD1-OG1 3.45Å; F126-T136 HydrophobicContact CD2-CG2 4.49Å; A129-T136 HydrophobicContact CB-CG2 3.49Å; A129-T136 VanDerWaalsContact CB-CG2 3.49Å; I130-T136 CarbonylContact O-C 3.46Å; I130-T136 WeakPolarHBondContact O-CA 3.41Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.18Å; H131-T136 PolarHBondContact ND1-OG1 2.97Å
137V95.9Very high94.8Very high0 Ų050.5 Ų50.50%029%0.292CS..EExtended strand (participates in β ladder)trans-129.1142.2-173.7174.20000110.8I130 L135 I141 V142 L177I130-V137 PolarHBondContact N-O 2.79Å; I130-V137 PolarHBondContact O-N 3.02Å; L135-V137 HydrophobicContact CD1-CG2 3.82Å; L135-V137 HydrophobicContact CD2-CG2 3.47Å; L135-V137 VanDerWaalsContact CD2-CG2 3.47Å; L135-V137 HydrophobicContact CG-CG2 3.43Å; L135-V137 VanDerWaalsContact CG-CG2 3.43Å; V137-I141 HydrophobicContact CG1-CB 3.79Å; V137-I141 HydrophobicContact CG1-CD1 4.11Å; V137-I141 HydrophobicContact CG1-CG1 4.41Å; V137-I141 HydrophobicContact CG1-CG2 4.06Å; V137-V142 HydrophobicContact CG1-CG2 4.27Å; V137-L177 HydrophobicContact CG1-CD1 4.21Å; V137-L177 HydrophobicContact CG2-CD1 4.29Å
138N96.2Very high94.8Very high39 Ų3947.1 Ų47.121%0.20927%0.268CS..  trans-67.2130174-171.8-45000109.9Y99 G103 L140 I141Y99-N138 HydrophobicContact CE2-CB 4.05Å; Y99-N138 WeakPolarHBondContact OH-CA 3.39Å; Y99-N138 WeakPolarHBondContact OH-CB 3.47Å; G103-N138 WeakPolarHBondContact O-CB 3.41Å; G103-N138 PolarHBondContact O-N 2.95Å; N138-L140 PolarHBondContact O-N 2.99Å; N138-L140 WeakPolarHBondContact OD1-CB 3.2Å; N138-L140 WeakPolarHBondContact OD1-CG 3.19Å; N138-L140 PolarHBondContact OD1-N 2.82Å; N138-I141 PolarHBondContact O-N 3.43Å
139P95.4Very high94.8Very high34 Ų3443 Ų4322%0.22124%0.239CC..Hα-helixtrans-51.8-30.8179.8-26.934.1000114S128 I130 I141 V142 D143S128-P139 WeakPolarHBondContact O-CG 3.49Å; I130-P139 HydrophobicContact CD1-CB 4.32Å; I130-P139 HydrophobicContact CG1-CG 4.34Å; P139-I141 VanDerWaalsContact C-N 3.26Å; P139-I141 PolarHBondContact O-N 2.83Å; P139-V142 WeakPolarHBondContact O-CA 3.34Å; P139-V142 WeakPolarHBondContact O-CB 3.35Å; P139-V142 PolarHBondContact O-N 3.33Å; P139-D143 PolarHBondContact O-N 2.97Å
140L94.3Very high94.8Very high122 Ų12245.8 Ų45.864%0.63926%0.258SS*.Hα-helixtrans-57.4-37.1177.2-67.2175.7000113N138 V142 D143 Q144N138-L140 PolarHBondContact O-N 2.99Å; N138-L140 WeakPolarHBondContact OD1-CB 3.2Å; N138-L140 WeakPolarHBondContact OD1-CG 3.19Å; N138-L140 PolarHBondContact OD1-N 2.82Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-D143 PolarHBondContact O-N 2.96Å; L140-Q144 VanDerWaalsContact O-CB 3.28Å; L140-Q144 WeakPolarHBondContact O-CB 3.39Å; L140-Q144 PolarHBondContact O-N 3.38Å
141I93.7Very high94.8Very high21 Ų2143.6 Ų43.611%0.10825%0.249CC..Hα-helixtrans-65.5-42.7176.4-64.5-179.6000109.5G103 V137 N138 P139 Q144 L145 P166G103-I141 WeakPolarHBondContact O-CD1 3.47Å; V137-I141 HydrophobicContact CG1-CB 3.79Å; V137-I141 HydrophobicContact CG1-CD1 4.11Å; V137-I141 HydrophobicContact CG1-CG1 4.41Å; V137-I141 HydrophobicContact CG1-CG2 4.06Å; N138-I141 PolarHBondContact O-N 3.43Å; P139-I141 VanDerWaalsContact C-N 3.26Å; P139-I141 PolarHBondContact O-N 2.83Å; I141-Q144 PolarHBondContact O-N 3.32Å; I141-L145 HydrophobicContact CG2-CD1 4.24Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.32Å; I141-L145 PolarHBondContact O-N 2.85Å; I141-P166 HydrophobicContact CD1-CG 4.24Å
142V94.3Very high94.9Very high10 Ų1041.4 Ų41.46%0.06124%0.239CC..Hα-helixtrans-67-42.2179.1173.50000111.4I130 V137 P139 L140 Q144 L145 K146 L177 L181I130-V142 HydrophobicContact CD1-CB 3.77Å; I130-V142 HydrophobicContact CD1-CG1 4.01Å; I130-V142 HydrophobicContact CD1-CG2 3.54Å; V137-V142 HydrophobicContact CG1-CG2 4.27Å; P139-V142 WeakPolarHBondContact O-CA 3.34Å; P139-V142 WeakPolarHBondContact O-CB 3.35Å; P139-V142 PolarHBondContact O-N 3.33Å; L140-V142 VanDerWaalsContact C-N 3.34Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-L145 PolarHBondContact O-N 2.74Å; V142-K146 HydrophobicContact CG1-CD 4.39Å; V142-K146 WeakPolarHBondContact O-CG 3.14Å; V142-K146 PolarHBondContact O-N 3.06Å; V142-L177 HydrophobicContact CG2-CD1 3.81Å; V142-L181 HydrophobicContact CG1-CD1 4.29Å; V142-L181 HydrophobicContact CG1-CD2 3.88Å
143D95.4Very high95.2Very high83 Ų8342.2 Ų42.244%0.44425%0.246SC..Hα-helixtrans-67.1-37.4178-68.6-24.7000111.8P139 L140 K146 S147P139-D143 PolarHBondContact O-N 2.97Å; L140-D143 PolarHBondContact O-N 2.96Å; D143-K146 PolarHBondContact O-N 3.4Å; D143-K146 IonicContact OD1-NZ 3.6Å; D143-S147 WeakPolarHBondContact O-CB 3.21Å; D143-S147 PolarHBondContact O-N 3.49Å
144Q95.4Very high95.5Very high94 Ų9445.4 Ų45.444%0.43924%0.244SC..Hα-helixtrans-61.3-48172-174173.91500111.1L140 I141 V142 K146 S147 L148 Y164L140-Q144 VanDerWaalsContact O-CB 3.28Å; L140-Q144 WeakPolarHBondContact O-CB 3.39Å; L140-Q144 PolarHBondContact O-N 3.38Å; I141-Q144 PolarHBondContact O-N 3.32Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-K146 PolarHBondContact O-N 3.24Å; Q144-S147 WeakPolarHBondContact O-CB 3.36Å; Q144-S147 PolarHBondContact O-N 3.35Å; Q144-L148 HydrophobicContact CG-CD1 4.44Å; Q144-L148 WeakPolarHBondContact O-CG 3.21Å; Q144-L148 PolarHBondContact O-N 3.22Å; Q144-Y164 HydrophobicContact CG-CD1 4.42Å
145L95.4Very high95.8Very high2 Ų249 Ų491%0.0126%0.259CS..Hα-helixtrans-60.2-43.4177.2-71.4171.9000112I141 V142 S147 L148 I149 L161 I165 L177 L181I141-L145 HydrophobicContact CG2-CD1 4.24Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.32Å; I141-L145 PolarHBondContact O-N 2.85Å; V142-L145 PolarHBondContact O-N 2.74Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.4Å; L145-L148 PolarHBondContact O-N 2.91Å; L145-I149 WeakPolarHBondContact O-CD1 3.49Å; L145-I149 VanDerWaalsContact O-CG1 3.25Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 3.45Å; L145-L161 HydrophobicContact CD2-CD2 4.28Å; L145-I165 HydrophobicContact CD2-CG1 4.24Å; L145-L177 HydrophobicContact CD1-CD2 4.08Å; L145-L177 HydrophobicContact CD1-CG 4.09Å; L145-L181 HydrophobicContact CB-CD1 3.7Å; L145-L181 HydrophobicContact CD1-CD1 4.12Å
146K95.4Very high95.9Very high99 Ų9950.9 Ų50.943%0.4327%0.27SS..Hα-helixtrans-58.8-42.1174.9-74.5173.3-178.8168.40112.5V142 D143 Q144 I149 S150 L181V142-K146 HydrophobicContact CG1-CD 4.39Å; V142-K146 WeakPolarHBondContact O-CG 3.14Å; V142-K146 PolarHBondContact O-N 3.06Å; D143-K146 PolarHBondContact O-N 3.4Å; D143-K146 IonicContact OD1-NZ 3.6Å; Q144-K146 PolarHBondContact O-N 3.24Å; K146-I149 PolarHBondContact O-N 3.21Å; K146-S150 WeakPolarHBondContact O-CB 3.47Å; K146-S150 PolarHBondContact O-N 2.97Å; K146-S150 PolarHBondContact O-OG 2.85Å; K146-L181 HydrophobicContact CG-CD2 4.02Å
147S96.5Very high95.9Very high83 Ų8352.6 Ų52.658%0.5828%0.282SS*.Hα-helixtrans-63.2-43.7177.5-173.70000111.5D143 Q144 L145 S150 G151D143-S147 WeakPolarHBondContact O-CB 3.21Å; D143-S147 PolarHBondContact O-N 3.49Å; Q144-S147 WeakPolarHBondContact O-CB 3.36Å; Q144-S147 PolarHBondContact O-N 3.35Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.4Å; S147-S150 PolarHBondContact O-N 2.78Å; S147-G151 PolarHBondContact O-N 2.94Å
148L95.9Very high96Very high32 Ų3259.1 Ų59.117%0.16831%0.307CS..Hα-helixtrans-63.4-45.7176.6-65.6173.7000112.1Q144 L145 S150 G151 V152 I159 L161 Y164Q144-L148 HydrophobicContact CG-CD1 4.44Å; Q144-L148 WeakPolarHBondContact O-CG 3.21Å; Q144-L148 PolarHBondContact O-N 3.22Å; L145-L148 PolarHBondContact O-N 2.91Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.32Å; L148-G151 PolarHBondContact O-N 3.5Å; L148-G151 VanDerWaalsContact O-N 3.16Å; L148-V152 WeakPolarHBondContact O-CG2 3.26Å; L148-V152 PolarHBondContact O-N 2.92Å; L148-I159 HydrophobicContact CD2-CD1 3.76Å; L148-L161 HydrophobicContact CB-CD2 4.49Å; L148-L161 HydrophobicContact CD1-CD2 4.09Å; L148-Y164 HydrophobicContact CD1-CD1 3.48Å; L148-Y164 VanDerWaalsContact CD1-CD1 3.48Å; L148-Y164 HydrophobicContact CD1-CD2 3.76Å; L148-Y164 HydrophobicContact CD1-CE1 3.73Å; L148-Y164 HydrophobicContact CD1-CE2 4Å; L148-Y164 HydrophobicContact CD1-CG 3.46Å; L148-Y164 VanDerWaalsContact CD1-CG 3.46Å; L148-Y164 HydrophobicContact CD2-CE1 4.33Å
149I96.1Very high96Very high9 Ų959 Ų595%0.04631%0.306CS..Hα-helixtrans-57.5-47.3176.3-66.4157.8000110.2L145 K146 G151 V152 V153 L181 L182 A185 L194L145-I149 WeakPolarHBondContact O-CD1 3.49Å; L145-I149 VanDerWaalsContact O-CG1 3.25Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 3.45Å; K146-I149 PolarHBondContact O-N 3.21Å; I149-G151 VanDerWaalsContact C-N 3.31Å; I149-G151 PolarHBondContact O-N 2.88Å; I149-V152 PolarHBondContact O-N 3.11Å; I149-V153 WeakPolarHBondContact O-CG2 3.36Å; I149-V153 PolarHBondContact O-N 3.4Å; I149-V153 VanDerWaalsContact O-N 3.12Å; I149-L181 HydrophobicContact CD1-CB 3.57Å; I149-L181 HydrophobicContact CD1-CD1 4.34Å; I149-L182 HydrophobicContact CD1-CD2 3.72Å; I149-L182 HydrophobicContact CG1-CD2 3.97Å; I149-L182 HydrophobicContact CG2-CD2 4.5Å; I149-A185 HydrophobicContact CG2-CB 3.75Å; I149-L194 HydrophobicContact CB-CD2 4.09Å; I149-L194 HydrophobicContact CG1-CD2 3.53Å; I149-L194 HydrophobicContact CG2-CD2 4.43Å
150S96.1Very high96Very high71 Ų7159.3 Ų59.350%0.49731%0.306SS..Hα-helixtrans-62.7-38178.6-56.70000112.2K146 S147 L148 R154K146-S150 WeakPolarHBondContact O-CB 3.47Å; K146-S150 PolarHBondContact O-N 2.97Å; K146-S150 PolarHBondContact O-OG 2.85Å; S147-S150 PolarHBondContact O-N 2.78Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.32Å; S150-R154 WeakPolarHBondContact O-CB 3.44Å; S150-R154 PolarHBondContact O-N 3.48Å
151G96.7Very high95.9Very high11 Ų1153.5 Ų53.511%0.11328%0.275CS..Hα-helixtrans-63.5-48.2175.600000112.7S147 L148 I149 V153 R154 D155S147-G151 PolarHBondContact O-N 2.94Å; L148-G151 PolarHBondContact O-N 3.5Å; L148-G151 VanDerWaalsContact O-N 3.16Å; I149-G151 VanDerWaalsContact C-N 3.31Å; I149-G151 PolarHBondContact O-N 2.88Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.43Å; G151-R154 PolarHBondContact O-N 2.98Å; G151-D155 WeakPolarHBondContact O-CB 3.45Å; G151-D155 VanDerWaalsContact O-CG 3.26Å; G151-D155 PolarHBondContact O-N 2.91Å
152V97.6Very high95.8Very high4 Ų454.1 Ų54.12%0.02428%0.282CS..Hα-helixtrans-58.2-43.1178.1168.20000112L148 I149 V156 S157 I159 V187 L194 A196L148-V152 WeakPolarHBondContact O-CG2 3.26Å; L148-V152 PolarHBondContact O-N 2.92Å; I149-V152 PolarHBondContact O-N 3.11Å; V152-V156 PolarHBondContact O-N 3.31Å; V152-V156 VanDerWaalsContact O-N 3.14Å; V152-S157 WeakPolarHBondContact CG1-O 3.37Å; V152-S157 PolarHBondContact O-N 3.01Å; V152-S157 VanDerWaalsContact O-N 3.15Å; V152-I159 HydrophobicContact CG2-CB 3.83Å; V152-I159 HydrophobicContact CG2-CG2 3.41Å; V152-I159 VanDerWaalsContact CG2-CG2 3.41Å; V152-V187 HydrophobicContact CG1-CG1 4.32Å; V152-L194 HydrophobicContact CB-CD2 4.35Å; V152-L194 HydrophobicContact CG1-CD2 4.47Å; V152-L194 HydrophobicContact CG1-CG 4.48Å; V152-L194 HydrophobicContact CG2-CD2 4.25Å; V152-A196 HydrophobicContact CG1-CB 4Å
153V97Very high95.6Very high47 Ų4761.7 Ų61.729%0.28532%0.316SS..Hα-helixtrans-65.3-46.9177.8172.80000111.4I149 G151 P186 V187I149-V153 WeakPolarHBondContact O-CG2 3.36Å; I149-V153 PolarHBondContact O-N 3.4Å; I149-V153 VanDerWaalsContact O-N 3.12Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.43Å; V153-P186 HydrophobicContact CG1-CG 3.72Å; V153-P186 HydrophobicContact CG2-CG 3.98Å; V153-V187 HydrophobicContact CG2-CG1 3.43Å; V153-V187 VanDerWaalsContact CG2-CG1 3.43Å
154R96.7Very high95.4Very high173 Ų17361.5 Ų61.565%0.65331%0.31SS*.Hα-helixtrans-64.7-44-178.1-179.1-172.662.3-127.2-9111.8S150 G151 V156S150-R154 WeakPolarHBondContact O-CB 3.44Å; S150-R154 PolarHBondContact O-N 3.48Å; G151-R154 PolarHBondContact O-N 2.98Å; R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 3.27Å
155D97.2Very high95.1Very high94 Ų9457.8 Ų57.850%0.50329%0.293SS..Hα-helixtrans-88.1-0.7-171.9-55.8-20.1000111.8G151 S157G151-D155 WeakPolarHBondContact O-CB 3.45Å; G151-D155 VanDerWaalsContact O-CG 3.26Å; G151-D155 PolarHBondContact O-N 2.91Å; D155-S157 PolarHBondContact O-N 2.86Å
156V96.2Very high94.7Very high41 Ų4158.5 Ų58.525%0.24830%0.297CS..THydrogen-bonded Turntrans49.559.2-178.1-1730000109.8V152 R154 K198 F199V152-V156 PolarHBondContact O-N 3.31Å; V152-V156 VanDerWaalsContact O-N 3.14Å; R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 3.27Å; V156-K198 HydrophobicContact CG1-CB 3.54Å; V156-K198 HydrophobicContact CG2-CB 4.32Å; V156-K198 HydrophobicContact CG2-CD 4.38Å; V156-F199 HydrophobicContact CG1-CB 4.22Å; V156-F199 VanDerWaalsContact O-CD2 3.26Å; V156-F199 WeakPolarHBondContact O-CD2 3.48Å
157S97.2Very high94.1Very high36 Ų3660 Ų6025%0.25231%0.31SS..  trans-134.9-161.6-169.769.50000111.9V152 D155 A196V152-S157 WeakPolarHBondContact CG1-O 3.37Å; V152-S157 PolarHBondContact O-N 3.01Å; V152-S157 VanDerWaalsContact O-N 3.15Å; D155-S157 PolarHBondContact O-N 2.86Å; S157-A196 WeakPolarHBondContact O-CB 3.14Å; S157-A196 PolarHBondContact O-N 3.14Å
158W96.8Very high93.4Very high137 Ų13757.9 Ų57.952%0.51930%0.301SS..EExtended strand (participates in β ladder)trans-140159.8171.364.4-87.4000109.7Y193 L194 I195 F199W158-Y193 HydrophobicContact CE3-CD1 4.03Å; W158-Y193 AromaticContact CZ3-CD1 3.88Å; W158-Y193 HydrophobicContact CZ3-CD1 3.88Å; W158-Y193 HydrophobicContact CZ3-CE1 4.02Å; W158-L194 CarbonylContact C-O 3.41Å; W158-L194 WeakPolarHBondContact CA-O 3.45Å; W158-L194 WeakPolarHBondContact CB-O 3.47Å; W158-I195 HydrophobicContact CB-CB 4.26Å; W158-I195 HydrophobicContact CB-CG1 3.94Å; W158-I195 HydrophobicContact CB-CG2 4.21Å; W158-F199 AromaticContact CD1-CE1 3.53Å; W158-F199 AromaticContact CD1-CZ 3.49Å; W158-F199 VanDerWaalsContact CD1-CZ 3.49Å; W158-F199 HydrophobicContact CG-CE1 4.39Å; W158-F199 AromaticContact NE1-CZ 3.98Å
159I96.8Very high93Very high36 Ų3656.5 Ų56.519%0.18529%0.294CS..EExtended strand (participates in β ladder)trans-144.9148.4174.6-164174000110.9L148 V152 L161 Y164 Y193 L194L148-I159 HydrophobicContact CD2-CD1 3.76Å; V152-I159 HydrophobicContact CG2-CB 3.83Å; V152-I159 HydrophobicContact CG2-CG2 3.41Å; V152-I159 VanDerWaalsContact CG2-CG2 3.41Å; I159-L161 HydrophobicContact CG2-CD2 3.8Å; I159-L161 HydrophobicContact CG2-CG 4.37Å; I159-Y164 HydrophobicContact CD1-CE2 4.02Å; I159-Y193 CarbonylContact O-C 3.6Å; I159-Y193 WeakPolarHBondContact O-CA 3.43Å; I159-L194 HydrophobicContact CG2-CB 4Å; I159-L194 HydrophobicContact CG2-CD2 4.43Å; I159-L194 PolarHBondContact N-O 3.15Å; I159-L194 PolarHBondContact O-N 3.37Å
160D95.2Very high92.6Very high40 Ų4059.2 Ų59.221%0.21431%0.309CS..EExtended strand (participates in β ladder)trans-88.5117.8167.9-172.8-3.9000110.4S162 T192 Y193D160-S162 VanDerWaalsContact C-N 3.3Å; D160-S162 VanDerWaalsContact OD1-CB 3.25Å; D160-S162 WeakPolarHBondContact OD1-CB 3.37Å; D160-S162 PolarHBondContact OD1-N 3.23Å; D160-S162 PolarHBondContact OD1-OG 3.2Å; D160-S162 PolarHBondContact OD2-OG 3.29Å; D160-T192 WeakPolarHBondContact OD1-CB 3.35Å; D160-T192 PolarHBondContact OD1-OG1 2.98Å; D160-Y193 HydrophobicContact CB-CD1 3.91Å; D160-Y193 HydrophobicContact CB-CE1 3.71Å
161L92.9Very high92.1Very high1 Ų159.7 Ų59.71%0.00531%0.312CS..  trans-82-2.8179.6-61.5-179.3000113.6L145 L148 I159 H163 Y164 I165 L189 T192 L194L145-L161 HydrophobicContact CD2-CD2 4.28Å; L148-L161 HydrophobicContact CB-CD2 4.49Å; L148-L161 HydrophobicContact CD1-CD2 4.09Å; I159-L161 HydrophobicContact CG2-CD2 3.8Å; I159-L161 HydrophobicContact CG2-CG 4.37Å; L161-H163 PolarHBondContact O-N 2.83Å; L161-H163 VanDerWaalsContact O-N 3.11Å; L161-Y164 HydrophobicContact CD2-CD2 4.45Å; L161-Y164 PolarHBondContact O-N 3.04Å; L161-I165 HydrophobicContact CB-CD1 3.74Å; L161-I165 HydrophobicContact CB-CG1 4.21Å; L161-I165 HydrophobicContact CD1-CD1 4.39Å; L161-I165 PolarHBondContact O-N 3.02Å; L161-I165 VanDerWaalsContact O-N 3.1Å; L161-L189 HydrophobicContact CD1-CD1 4.13Å; L161-T192 VanDerWaalsContact CB-O 3.29Å; L161-T192 WeakPolarHBondContact CB-O 3.4Å; L161-T192 PolarHBondContact N-O 2.91Å; L161-L194 HydrophobicContact CD1-CB 3.96Å; L161-L194 HydrophobicContact CD1-CD2 4.47Å; L161-L194 HydrophobicContact CG-CB 4.11Å
162S90.3Very high91.7Very high34 Ų3464.9 Ų64.924%0.23834%0.337CS..THydrogen-bonded Turntrans-52.7-37.7-174.7-62.80000113.9D160 Y164 T192D160-S162 VanDerWaalsContact C-N 3.3Å; D160-S162 VanDerWaalsContact OD1-CB 3.25Å; D160-S162 WeakPolarHBondContact OD1-CB 3.37Å; D160-S162 PolarHBondContact OD1-N 3.23Å; D160-S162 PolarHBondContact OD1-OG 3.2Å; D160-S162 PolarHBondContact OD2-OG 3.29Å; S162-Y164 VanDerWaalsContact C-N 3.34Å; S162-T192 VanDerWaalsContact OG-CB 3.32Å; S162-T192 WeakPolarHBondContact OG-CB 3.2Å; S162-T192 WeakPolarHBondContact OG-CG2 3.5Å; S162-T192 PolarHBondContact OG-OG1 2.86Å; S162-T192 VanDerWaalsContact OG-OG1 3.1Å
163H90.3Very high91.3Very high169 Ų16965.2 Ų65.278%0.78234%0.338SS*.THydrogen-bonded Turntrans-85.6-5.7-178.8-62.7-60.3000114.3L161L161-H163 PolarHBondContact O-N 2.83Å; L161-H163 VanDerWaalsContact O-N 3.11Å
164Y90.9Very high90.9Very high79 Ų7967.6 Ų67.631%0.3134%0.342SS..THydrogen-bonded Turntrans-109.9-16.4-176.6-56.6-81.4000112.7Q144 L148 I159 L161 S162Q144-Y164 HydrophobicContact CG-CD1 4.42Å; L148-Y164 HydrophobicContact CD1-CD1 3.48Å; L148-Y164 VanDerWaalsContact CD1-CD1 3.48Å; L148-Y164 HydrophobicContact CD1-CD2 3.76Å; L148-Y164 HydrophobicContact CD1-CE1 3.73Å; L148-Y164 HydrophobicContact CD1-CE2 4Å; L148-Y164 HydrophobicContact CD1-CG 3.46Å; L148-Y164 VanDerWaalsContact CD1-CG 3.46Å; L148-Y164 HydrophobicContact CD2-CE1 4.33Å; I159-Y164 HydrophobicContact CD1-CE2 4.02Å; L161-Y164 HydrophobicContact CD2-CD2 4.45Å; L161-Y164 PolarHBondContact O-N 3.04Å; S162-Y164 VanDerWaalsContact C-N 3.34Å
165I89.6Confident90.6Very high16 Ų1661.9 Ų61.98%0.08233%0.328CS..SBendtrans-100.6132.8175.3-60.9171000107.8L145 L161 N167 L169 R174 V178L145-I165 HydrophobicContact CD2-CG1 4.24Å; L161-I165 HydrophobicContact CB-CD1 3.74Å; L161-I165 HydrophobicContact CB-CG1 4.21Å; L161-I165 HydrophobicContact CD1-CD1 4.39Å; L161-I165 PolarHBondContact O-N 3.02Å; L161-I165 VanDerWaalsContact O-N 3.1Å; I165-N167 PolarHBondContact O-N 3.35Å; I165-L169 HydrophobicContact CG2-CD1 4.15Å; I165-R174 HydrophobicContact CG2-CG 3.86Å; I165-V178 HydrophobicContact CD1-CG2 3.72Å; I165-V178 HydrophobicContact CG1-CG2 4.34Å
166P87.2Confident90.2Very high16 Ų1658.9 Ų58.910%0.10432%0.317CS..  trans-61.8129.3179.5-17.226.2000112.9Y104 I141 G168 L169Y104-P166 HydrophobicContact CD1-CB 3.45Å; Y104-P166 VanDerWaalsContact CD1-CB 3.45Å; Y104-P166 HydrophobicContact CD1-CG 3.6Å; Y104-P166 HydrophobicContact CD2-CB 4.35Å; Y104-P166 HydrophobicContact CE1-CB 3.25Å; Y104-P166 HydrophobicContact CE1-CG 3.96Å; Y104-P166 HydrophobicContact CE2-CB 4.15Å; Y104-P166 HydrophobicContact CG-CB 4.03Å; Y104-P166 HydrophobicContact CG-CG 3.99Å; I141-P166 HydrophobicContact CD1-CG 4.24Å; P166-G168 PolarHBondContact O-N 3.1Å; P166-L169 HydrophobicContact CB-CD1 4.32Å; P166-L169 HydrophobicContact CB-CG 4.08Å; P166-L169 HydrophobicContact CG-CD1 4.13Å; P166-L169 HydrophobicContact CG-CG 4.41Å; P166-L169 WeakPolarHBondContact O-CG 3.46Å; P166-L169 PolarHBondContact O-N 3.43Å
167N83.6Confident90Very high132 Ų13257.2 Ų57.271%0.70631%0.307SS*.THydrogen-bonded Turntrans-63.1-26.5-173.9-70.8-30.2000114.2I165 L169 R174I165-N167 PolarHBondContact O-N 3.35Å; N167-L169 PolarHBondContact O-N 3.41Å; N167-R174 PolarHBondContact O-NH2 2.79Å
168G81.3Confident89.8Confident38 Ų3855.7 Ų55.739%0.39230%0.296SS..THydrogen-bonded Turntrans-69.3-18.5-179.400000114P166P166-G168 PolarHBondContact O-N 3.1Å
169L86.8Confident89.6Confident2 Ų253.2 Ų53.21%0.0129%0.293CS..  trans-69.4137.9-176.1-57.5-173000111.6Y104 E106 L135 I165 P166 N167 E173 R174 L177Y104-L169 HydrophobicContact CD2-CD2 3.74Å; Y104-L169 HydrophobicContact CE2-CD2 3.82Å; E106-L169 HydrophobicContact CG-CD2 4.38Å; L135-L169 HydrophobicContact CD1-CD2 3.42Å; L135-L169 VanDerWaalsContact CD1-CD2 3.42Å; L135-L169 HydrophobicContact CD2-CD1 3.67Å; L135-L169 HydrophobicContact CD2-CD2 3.65Å; L135-L169 HydrophobicContact CD2-CG 4.29Å; L135-L169 HydrophobicContact CG-CD2 4.14Å; I165-L169 HydrophobicContact CG2-CD1 4.15Å; P166-L169 HydrophobicContact CB-CD1 4.32Å; P166-L169 HydrophobicContact CB-CG 4.08Å; P166-L169 HydrophobicContact CG-CD1 4.13Å; P166-L169 HydrophobicContact CG-CG 4.41Å; P166-L169 WeakPolarHBondContact O-CG 3.46Å; P166-L169 PolarHBondContact O-N 3.43Å; N167-L169 PolarHBondContact O-N 3.41Å; L169-E173 WeakPolarHBondContact CA-OE2 3.28Å; L169-E173 HydrophobicContact CB-CB 4.04Å; L169-E173 HydrophobicContact CD2-CB 4.33Å; L169-R174 HydrophobicContact CB-CG 3.64Å; L169-R174 HydrophobicContact CD1-CG 4.4Å; L169-R174 PolarHBondContact O-NE 2.9Å; L169-R174 PolarHBondContact O-NH2 2.81Å; L169-L177 HydrophobicContact CD1-CD2 4.04Å
170D87.3Confident89.4Confident67 Ų6755.7 Ų55.736%0.35831%0.311SS..  trans-75.6174.8169.476.330000112.2N172 E173 R174D170-N172 VanDerWaalsContact C-N 3.28Å; D170-N172 PolarHBondContact O-N 3Å; D170-N172 WeakPolarHBondContact OD1-CA 3.32Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.18Å; D170-E173 PolarHBondContact N-OE2 3.49Å; D170-E173 PolarHBondContact O-N 3Å; D170-E173 WeakPolarHBondContact OD1-CG 3.43Å; D170-E173 PolarHBondContact OD1-N 2.82Å; D170-R174 WeakPolarHBondContact O-CB 3.49Å; D170-R174 WeakPolarHBondContact O-CG 3.31Å; D170-R174 PolarHBondContact O-N 2.93Å
171S86.6Confident89.2Confident81 Ų8155.5 Ų55.557%0.56631%0.31SS*.Hα-helixtrans-62.6-32.7-178.254.50000113.6S175S171-S175 WeakPolarHBondContact O-CB 3.44Å; S171-S175 PolarHBondContact O-N 3.25Å; S171-S175 PolarHBondContact O-OG 3.4Å
172N88.1Confident89.3Confident120 Ų12056.6 Ų56.664%0.64232%0.315SS*.Hα-helixtrans-73.7-43.3179.7-63.1-41.8000110.5D170 S175 A176D170-N172 VanDerWaalsContact C-N 3.28Å; D170-N172 PolarHBondContact O-N 3Å; D170-N172 WeakPolarHBondContact OD1-CA 3.32Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.18Å; N172-S175 PolarHBondContact O-N 2.84Å; N172-A176 WeakPolarHBondContact O-CB 3.25Å; N172-A176 PolarHBondContact O-N 3.01Å
173E89.2Confident89.3Confident10 Ų1063.2 Ų63.25%0.04734%0.34CS..Hα-helixtrans-64.3-43.3177.2-71.6171.8157.700111.5L135 L169 D170 S175 A176 L177L135-E173 HydrophobicContact CB-CG 4.38Å; L135-E173 HydrophobicContact CD2-CB 4.25Å; L169-E173 WeakPolarHBondContact CA-OE2 3.28Å; L169-E173 HydrophobicContact CB-CB 4.04Å; L169-E173 HydrophobicContact CD2-CB 4.33Å; D170-E173 PolarHBondContact N-OE2 3.49Å; D170-E173 PolarHBondContact O-N 3Å; D170-E173 WeakPolarHBondContact OD1-CG 3.43Å; D170-E173 PolarHBondContact OD1-N 2.82Å; E173-S175 PolarHBondContact O-N 2.87Å; E173-A176 PolarHBondContact O-N 3.12Å; E173-L177 WeakPolarHBondContact O-CB 3.35Å; E173-L177 PolarHBondContact O-N 3.4Å
174R89.8Confident89.3Confident98 Ų9862.5 Ų62.537%0.3734%0.342SS..Hα-helixtrans-60.6-45.4173.4-68.5177-164.41683.7111.5I165 N167 L169 D170 A176 L177 V178I165-R174 HydrophobicContact CG2-CG 3.86Å; N167-R174 PolarHBondContact O-NH2 2.79Å; L169-R174 HydrophobicContact CB-CG 3.64Å; L169-R174 HydrophobicContact CD1-CG 4.4Å; L169-R174 PolarHBondContact O-NE 2.9Å; L169-R174 PolarHBondContact O-NH2 2.81Å; D170-R174 WeakPolarHBondContact O-CB 3.49Å; D170-R174 WeakPolarHBondContact O-CG 3.31Å; D170-R174 PolarHBondContact O-N 2.93Å; R174-A176 PolarHBondContact O-N 3.34Å; R174-L177 PolarHBondContact O-N 3.47Å; R174-V178 WeakPolarHBondContact O-CB 3.45Å; R174-V178 WeakPolarHBondContact O-CG2 3.5Å; R174-V178 PolarHBondContact O-N 2.79Å
175S88.7Confident89.4Confident52 Ų5260 Ų6036%0.36434%0.337SS..Hα-helixtrans-63.1-42.4177.8-62.10000111.5S171 N172 E173 L177 V178 N179S171-S175 WeakPolarHBondContact O-CB 3.44Å; S171-S175 PolarHBondContact O-N 3.25Å; S171-S175 PolarHBondContact O-OG 3.4Å; N172-S175 PolarHBondContact O-N 2.84Å; E173-S175 PolarHBondContact O-N 2.87Å; S175-L177 VanDerWaalsContact C-N 3.28Å; S175-L177 PolarHBondContact O-N 2.91Å; S175-V178 PolarHBondContact O-N 3.11Å; S175-N179 WeakPolarHBondContact O-CB 3.34Å; S175-N179 PolarHBondContact O-N 2.94Å; S175-N179 PolarHBondContact O-ND2 2.92Å
176A89.7Confident89.7Confident32 Ų3262.2 Ų62.226%0.26435%0.353SS..Hα-helixtrans-65-31.4177.400000112.7N172 E173 R174 P180N172-A176 WeakPolarHBondContact O-CB 3.25Å; N172-A176 PolarHBondContact O-N 3.01Å; E173-A176 PolarHBondContact O-N 3.12Å; R174-A176 PolarHBondContact O-N 3.34Å; A176-P180 WeakPolarHBondContact O-CD 3.43Å; A176-P180 VanDerWaalsContact O-CG 3.26Å; A176-P180 WeakPolarHBondContact O-CG 3.29Å
177L92.3Very high90.1Very high6 Ų662.1 Ų62.13%0.03135%0.352CS..Hα-helixtrans-75.5-46175.6179.263.1000112.3L132 V137 V142 L145 L169 E173 R174 S175L132-L177 HydrophobicContact CD1-CB 4.01Å; L132-L177 HydrophobicContact CD1-CD1 3.94Å; V137-L177 HydrophobicContact CG1-CD1 4.21Å; V137-L177 HydrophobicContact CG2-CD1 4.29Å; V142-L177 HydrophobicContact CG2-CD1 3.81Å; L145-L177 HydrophobicContact CD1-CD2 4.08Å; L145-L177 HydrophobicContact CD1-CG 4.09Å; L169-L177 HydrophobicContact CD1-CD2 4.04Å; E173-L177 WeakPolarHBondContact O-CB 3.35Å; E173-L177 PolarHBondContact O-N 3.4Å; R174-L177 PolarHBondContact O-N 3.47Å; S175-L177 VanDerWaalsContact C-N 3.28Å; S175-L177 PolarHBondContact O-N 2.91Å
178V93Very high90.6Very high4 Ų461.6 Ų61.62%0.02434%0.343CS..Hα-helixtrans-89.9-44.3-168.6-179.10000112.3I165 R174 S175 P180 L181 L182 L189I165-V178 HydrophobicContact CD1-CG2 3.72Å; I165-V178 HydrophobicContact CG1-CG2 4.34Å; R174-V178 WeakPolarHBondContact O-CB 3.45Å; R174-V178 WeakPolarHBondContact O-CG2 3.5Å; R174-V178 PolarHBondContact O-N 2.79Å; S175-V178 PolarHBondContact O-N 3.11Å; V178-P180 VanDerWaalsContact C-CD 3.45Å; V178-L181 WeakPolarHBondContact O-CA 3.25Å; V178-L181 VanDerWaalsContact O-CB 3.32Å; V178-L181 WeakPolarHBondContact O-CB 3.32Å; V178-L181 PolarHBondContact O-N 3.06Å; V178-L182 HydrophobicContact CG1-CD1 3.73Å; V178-L182 HydrophobicContact CG1-CD2 4.25Å; V178-L182 HydrophobicContact CG1-CG 3.88Å; V178-L182 PolarHBondContact O-N 2.84Å; V178-L189 HydrophobicContact CB-CD2 4.48Å; V178-L189 HydrophobicContact CG1-CD2 3.85Å
179N91.8Very high91.2Very high85 Ų8562.6 Ų62.646%0.45534%0.339SS..Hα-helixtrans-56.3-40-173.5-67.8-12.3000114.3S175 L181 L182 K183S175-N179 WeakPolarHBondContact O-CB 3.34Å; S175-N179 PolarHBondContact O-N 2.94Å; S175-N179 PolarHBondContact O-ND2 2.92Å; N179-L181 PolarHBondContact O-N 3.35Å; N179-L182 PolarHBondContact O-N 3.16Å; N179-L182 VanDerWaalsContact O-N 3.11Å; N179-K183 PolarHBondContact O-N 3.41Å
180P92.1Very high91.4Very high87 Ų8767.7 Ų67.757%0.56537%0.366SS*.Hα-helixtrans-60.8-27.1175.4-24.636000113.5A176 V178A176-P180 WeakPolarHBondContact O-CD 3.43Å; A176-P180 VanDerWaalsContact O-CG 3.26Å; A176-P180 WeakPolarHBondContact O-CG 3.29Å; V178-P180 VanDerWaalsContact C-CD 3.45Å
181L92.5Very high91.4Very high36 Ų3672.7 Ų72.719%0.18839%0.388CS..Hα-helixtrans-81.7-19179-50.5-179.6000112.7V142 L145 K146 I149 V178 N179V142-L181 HydrophobicContact CG1-CD1 4.29Å; V142-L181 HydrophobicContact CG1-CD2 3.88Å; L145-L181 HydrophobicContact CB-CD1 3.7Å; L145-L181 HydrophobicContact CD1-CD1 4.12Å; K146-L181 HydrophobicContact CG-CD2 4.02Å; I149-L181 HydrophobicContact CD1-CB 3.57Å; I149-L181 HydrophobicContact CD1-CD1 4.34Å; V178-L181 WeakPolarHBondContact O-CA 3.25Å; V178-L181 VanDerWaalsContact O-CB 3.32Å; V178-L181 WeakPolarHBondContact O-CB 3.32Å; V178-L181 PolarHBondContact O-N 3.06Å; N179-L181 PolarHBondContact O-N 3.35Å
182L93.6Very high91.5Very high24 Ų2470.2 Ų70.213%0.12637%0.369CS..Hα-helixtrans-95.2-12.6-176.6-57.1-173.1000114I149 V178 N179 D184 A185 V187 L189 L194I149-L182 HydrophobicContact CD1-CD2 3.72Å; I149-L182 HydrophobicContact CG1-CD2 3.97Å; I149-L182 HydrophobicContact CG2-CD2 4.5Å; V178-L182 HydrophobicContact CG1-CD1 3.73Å; V178-L182 HydrophobicContact CG1-CD2 4.25Å; V178-L182 HydrophobicContact CG1-CG 3.88Å; V178-L182 PolarHBondContact O-N 2.84Å; N179-L182 PolarHBondContact O-N 3.16Å; N179-L182 VanDerWaalsContact O-N 3.11Å; L182-D184 PolarHBondContact O-N 3.1Å; L182-A185 PolarHBondContact O-N 2.9Å; L182-V187 HydrophobicContact CD2-CG2 3.83Å; L182-L189 HydrophobicContact CD1-CB 3.66Å; L182-L189 HydrophobicContact CD1-CD2 4.03Å; L182-L189 HydrophobicContact CD1-CG 4.37Å; L182-L194 HydrophobicContact CD1-CD1 4.26Å; L182-L194 HydrophobicContact CD2-CD1 3.63Å
183K90Very high91.8Very high173 Ų17368.9 Ų68.975%0.75236%0.356SS*.THydrogen-bonded Turntrans-50.6-37.8-167.6-172.4179.9175-173.60114.6N179N179-K183 PolarHBondContact O-N 3.41Å
184D90.4Very high92.1Very high155 Ų15568.4 Ų68.483%0.82935%0.353SS*.THydrogen-bonded Turntrans-116.88.9-176.9-54.8-54.4000112.8L182L182-D184 PolarHBondContact O-N 3.1Å
185A94Very high92.4Very high25 Ų2565.3 Ų65.321%0.20734%0.344CS..SBendtrans-93.7133.6-178.200000110.5I149 L182 V187I149-A185 HydrophobicContact CG2-CB 3.75Å; L182-A185 PolarHBondContact O-N 2.9Å; A185-V187 HydrophobicContact CB-CG1 4.44Å; A185-V187 HydrophobicContact CB-CG2 3.62Å; A185-V187 PolarHBondContact O-N 3.46Å
186P96.1Very high92.9Very high63 Ų6363 Ų6341%0.40933%0.328SS..SBendtrans-77.364.6177.733.3-36.5000110.8V153 D197V153-P186 HydrophobicContact CG1-CG 3.72Å; V153-P186 HydrophobicContact CG2-CG 3.98Å; P186-D197 WeakPolarHBondContact CA-OD2 3.49Å; P186-D197 PolarHBondContact O-N 2.97Å
187V96.1Very high93.2Very high15 Ų1563.7 Ų63.79%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-140.7151.4-174.2-60.80000110.2V152 V153 L182 A185 L194 I195V152-V187 HydrophobicContact CG1-CG1 4.32Å; V153-V187 HydrophobicContact CG2-CG1 3.43Å; V153-V187 VanDerWaalsContact CG2-CG1 3.43Å; L182-V187 HydrophobicContact CD2-CG2 3.83Å; A185-V187 HydrophobicContact CB-CG1 4.44Å; A185-V187 HydrophobicContact CB-CG2 3.62Å; A185-V187 PolarHBondContact O-N 3.46Å; V187-L194 HydrophobicContact CB-CD1 3.85Å; V187-L194 HydrophobicContact CB-CG 4.23Å; V187-L194 HydrophobicContact CG1-CG 4.48Å; V187-L194 HydrophobicContact CG2-CD1 3.63Å; V187-L194 HydrophobicContact CG2-CG 4.41Å; V187-I195 CarbonylContact C-O 3.46Å; V187-I195 WeakPolarHBondContact CA-O 3.33Å
188K94.2Very high93.4Very high120 Ų12069.9 Ų69.952%0.52235%0.354SS..EExtended strand (participates in β ladder)trans-112.6136.9168.3-59.8-171.5-171.5177.40109.6I195 D197 I200K188-I195 PolarHBondContact N-O 2.63Å; K188-I195 PolarHBondContact O-N 2.93Å; K188-D197 WeakPolarHBondContact CE-OD1 3.36Å; K188-D197 WeakPolarHBondContact CG-OD1 3.17Å; K188-I200 HydrophobicContact CB-CD1 4.37Å; K188-I200 HydrophobicContact CD-CD1 3.68Å; K188-I200 HydrophobicContact CG-CD1 4.11Å
189L92.9Very high93.7Very high59 Ų5972.4 Ų72.431%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-98.8119.1170-176.969.7000108.9L161 V178 L182 Y193 L194L161-L189 HydrophobicContact CD1-CD1 4.13Å; V178-L189 HydrophobicContact CB-CD2 4.48Å; V178-L189 HydrophobicContact CG1-CD2 3.85Å; L182-L189 HydrophobicContact CD1-CB 3.66Å; L182-L189 HydrophobicContact CD1-CD2 4.03Å; L182-L189 HydrophobicContact CD1-CG 4.37Å; L189-Y193 WeakPolarHBondContact CA-O 3.4Å; L189-L194 HydrophobicContact CD1-CD1 4.42Å
190L91Very high93.8Very high110 Ų11070.3 Ų70.358%0.57635%0.353SS*.EExtended strand (participates in β ladder)trans-113.9100.6171.7-179.467.1000108.2T192 Y193L190-T192 PolarHBondContact O-N 3.21Å; L190-Y193 PolarHBondContact N-O 2.91Å; L190-Y193 WeakPolarHBondContact O-CB 3.27Å; L190-Y193 PolarHBondContact O-N 2.83Å
191E86.5Confident94.1Very high172 Ų17271.7 Ų71.780%0.80435%0.352SS*.THydrogen-bonded Turntrans56.1-95.9-171-56.5-175.5172.500111.7
192T89.1Confident94.2Very high28 Ų2878.3 Ų78.317%0.17237%0.374CS..THydrogen-bonded Turntrans-109.5-9.7175.859.50000113D160 L161 S162 L190 L194D160-T192 WeakPolarHBondContact OD1-CB 3.35Å; D160-T192 PolarHBondContact OD1-OG1 2.98Å; L161-T192 VanDerWaalsContact CB-O 3.29Å; L161-T192 WeakPolarHBondContact CB-O 3.4Å; L161-T192 PolarHBondContact N-O 2.91Å; S162-T192 VanDerWaalsContact OG-CB 3.32Å; S162-T192 WeakPolarHBondContact OG-CB 3.2Å; S162-T192 WeakPolarHBondContact OG-CG2 3.5Å; S162-T192 PolarHBondContact OG-OG1 2.86Å; S162-T192 VanDerWaalsContact OG-OG1 3.1Å; L190-T192 PolarHBondContact O-N 3.21Å; T192-L194 PolarHBondContact O-N 3.3Å
193Y94.3Very high94.2Very high93 Ų9379.4 Ų79.437%0.36538%0.383SS..EExtended strand (participates in β ladder)trans-85117-178.5-61.1-77.6000110.5W158 I159 D160 L189 L190W158-Y193 HydrophobicContact CE3-CD1 4.03Å; W158-Y193 AromaticContact CZ3-CD1 3.88Å; W158-Y193 HydrophobicContact CZ3-CD1 3.88Å; W158-Y193 HydrophobicContact CZ3-CE1 4.02Å; I159-Y193 CarbonylContact O-C 3.6Å; I159-Y193 WeakPolarHBondContact O-CA 3.43Å; D160-Y193 HydrophobicContact CB-CD1 3.91Å; D160-Y193 HydrophobicContact CB-CE1 3.71Å; L189-Y193 WeakPolarHBondContact CA-O 3.4Å; L190-Y193 PolarHBondContact N-O 2.91Å; L190-Y193 WeakPolarHBondContact O-CB 3.27Å; L190-Y193 PolarHBondContact O-N 2.83Å
194L95.9Very high94.5Very high0 Ų076.6 Ų76.60%037%0.373CS..EExtended strand (participates in β ladder)trans-96.3121.3172.4-174.176000109.2I149 V152 W158 I159 L161 L182 V187 L189 T192I149-L194 HydrophobicContact CB-CD2 4.09Å; I149-L194 HydrophobicContact CG1-CD2 3.53Å; I149-L194 HydrophobicContact CG2-CD2 4.43Å; V152-L194 HydrophobicContact CB-CD2 4.35Å; V152-L194 HydrophobicContact CG1-CD2 4.47Å; V152-L194 HydrophobicContact CG1-CG 4.48Å; V152-L194 HydrophobicContact CG2-CD2 4.25Å; W158-L194 CarbonylContact C-O 3.41Å; W158-L194 WeakPolarHBondContact CA-O 3.45Å; W158-L194 WeakPolarHBondContact CB-O 3.47Å; I159-L194 HydrophobicContact CG2-CB 4Å; I159-L194 HydrophobicContact CG2-CD2 4.43Å; I159-L194 PolarHBondContact N-O 3.15Å; I159-L194 PolarHBondContact O-N 3.37Å; L161-L194 HydrophobicContact CD1-CB 3.96Å; L161-L194 HydrophobicContact CD1-CD2 4.47Å; L161-L194 HydrophobicContact CG-CB 4.11Å; L182-L194 HydrophobicContact CD1-CD1 4.26Å; L182-L194 HydrophobicContact CD2-CD1 3.63Å; V187-L194 HydrophobicContact CB-CD1 3.85Å; V187-L194 HydrophobicContact CB-CG 4.23Å; V187-L194 HydrophobicContact CG1-CG 4.48Å; V187-L194 HydrophobicContact CG2-CD1 3.63Å; V187-L194 HydrophobicContact CG2-CG 4.41Å; L189-L194 HydrophobicContact CD1-CD1 4.42Å; T192-L194 PolarHBondContact O-N 3.3Å
195I97.2Very high94.7Very high33 Ų3371.8 Ų71.817%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-126.1127.8-171-52.4168.9000108.8W158 V187 K188 F199 I200W158-I195 HydrophobicContact CB-CB 4.26Å; W158-I195 HydrophobicContact CB-CG1 3.94Å; W158-I195 HydrophobicContact CB-CG2 4.21Å; V187-I195 CarbonylContact C-O 3.46Å; V187-I195 WeakPolarHBondContact CA-O 3.33Å; K188-I195 PolarHBondContact N-O 2.63Å; K188-I195 PolarHBondContact O-N 2.93Å; I195-F199 HydrophobicContact CG2-CB 4.43Å; I195-F199 HydrophobicContact CG2-CD1 3.74Å; I195-I200 HydrophobicContact CG2-CD1 4.05Å; I195-I200 HydrophobicContact CG2-CG1 3.62Å
196A97.6Very high94.7Very high3 Ų377.8 Ų77.83%0.02538%0.376CS..EExtended strand (participates in β ladder)trans-67.1138.8173.600000111.6V152 S157 K198 F199 I200V152-A196 HydrophobicContact CG1-CB 4Å; S157-A196 WeakPolarHBondContact O-CB 3.14Å; S157-A196 PolarHBondContact O-N 3.14Å; A196-K198 VanDerWaalsContact C-N 3.28Å; A196-K198 PolarHBondContact O-N 3.46Å; A196-F199 HydrophobicContact CB-CB 4.15Å; A196-F199 WeakPolarHBondContact O-CA 3.44Å; A196-F199 VanDerWaalsContact O-CB 3.27Å; A196-F199 WeakPolarHBondContact O-CB 3.41Å; A196-F199 PolarHBondContact O-N 3.25Å; A196-I200 PolarHBondContact O-N 2.9Å
197D97.2Very high94.6Very high46 Ų4679.1 Ų79.125%0.24638%0.379CS..Hα-helixtrans-57.2-43.4178-75.2-35.5000111.6P186 K188 F199 I200 E201P186-D197 WeakPolarHBondContact CA-OD2 3.49Å; P186-D197 PolarHBondContact O-N 2.97Å; K188-D197 WeakPolarHBondContact CE-OD1 3.36Å; K188-D197 WeakPolarHBondContact CG-OD1 3.17Å; D197-F199 PolarHBondContact O-N 2.89Å; D197-I200 WeakPolarHBondContact O-CA 3.36Å; D197-I200 WeakPolarHBondContact O-CB 3.38Å; D197-I200 PolarHBondContact O-N 3.28Å; D197-E201 PolarHBondContact O-N 3.48Å
198K97.1Very high94.6Very high137 Ų13782.7 Ų82.760%0.59640%0.397SS*.Hα-helixtrans-61.4-26.6175.4-70.2-175.2178.2-179.70113.5V156 A196 R202V156-K198 HydrophobicContact CG1-CB 3.54Å; V156-K198 HydrophobicContact CG2-CB 4.32Å; V156-K198 HydrophobicContact CG2-CD 4.38Å; A196-K198 VanDerWaalsContact C-N 3.28Å; A196-K198 PolarHBondContact O-N 3.46Å; K198-R202 WeakPolarHBondContact O-CB 3.35Å; K198-R202 PolarHBondContact O-N 3.02Å; K198-R202 VanDerWaalsContact O-N 3.11Å
199F97.2Very high94.6Very high56 Ų5680.5 Ų80.525%0.24639%0.394CS..Hα-helixtrans-72.1-40.8174.1-179.3-96.9000110.3V156 W158 I195 A196 D197 R202 C203V156-F199 HydrophobicContact CG1-CB 4.22Å; V156-F199 VanDerWaalsContact O-CD2 3.26Å; V156-F199 WeakPolarHBondContact O-CD2 3.48Å; W158-F199 AromaticContact CD1-CE1 3.53Å; W158-F199 AromaticContact CD1-CZ 3.49Å; W158-F199 VanDerWaalsContact CD1-CZ 3.49Å; W158-F199 HydrophobicContact CG-CE1 4.39Å; W158-F199 AromaticContact NE1-CZ 3.98Å; I195-F199 HydrophobicContact CG2-CB 4.43Å; I195-F199 HydrophobicContact CG2-CD1 3.74Å; A196-F199 HydrophobicContact CB-CB 4.15Å; A196-F199 WeakPolarHBondContact O-CA 3.44Å; A196-F199 VanDerWaalsContact O-CB 3.27Å; A196-F199 WeakPolarHBondContact O-CB 3.41Å; A196-F199 PolarHBondContact O-N 3.25Å; D197-F199 PolarHBondContact O-N 2.89Å; F199-R202 WeakPolarHBondContact O-CB 3.47Å; F199-R202 PolarHBondContact O-N 3.03Å; F199-C203 PolarHBondContact O-N 3.2Å; F199-C203 PolarHBondContact O-SG 3Å; F199-C203 VanDerWaalsContact O-SG 3.38Å
200I95.8Very high94.6Very high41 Ų4184 Ų8421%0.2141%0.405CS..Hα-helixtrans-60.8-49.8174.7-58.6172000110.1K188 I195 A196 D197 R202 C203 E204K188-I200 HydrophobicContact CB-CD1 4.37Å; K188-I200 HydrophobicContact CD-CD1 3.68Å; K188-I200 HydrophobicContact CG-CD1 4.11Å; I195-I200 HydrophobicContact CG2-CD1 4.05Å; I195-I200 HydrophobicContact CG2-CG1 3.62Å; A196-I200 PolarHBondContact O-N 2.9Å; D197-I200 WeakPolarHBondContact O-CA 3.36Å; D197-I200 WeakPolarHBondContact O-CB 3.38Å; D197-I200 PolarHBondContact O-N 3.28Å; I200-R202 VanDerWaalsContact C-N 3.26Å; I200-R202 PolarHBondContact O-N 3.38Å; I200-C203 WeakPolarHBondContact O-CA 3.35Å; I200-C203 WeakPolarHBondContact O-CB 3.26Å; I200-C203 PolarHBondContact O-N 2.96Å; I200-E204 HydrophobicContact CG2-CG 4.49Å; I200-E204 WeakPolarHBondContact O-CG 3.45Å; I200-E204 PolarHBondContact O-N 3.28Å
201E96.4Very high94.8Very high117 Ų11783.4 Ų83.455%0.54740%0.401SS..Hα-helixtrans-56.4-40.8176.8-67.8171.9-176.900112D197 E204 A205D197-E201 PolarHBondContact O-N 3.48Å; E201-E204 PolarHBondContact O-N 3.39Å; E201-A205 PolarHBondContact O-N 2.89Å
202R95.2Very high95.1Very high175 Ų17582 Ų8266%0.6639%0.392SS*.Hα-helixtrans-64.9-40.2176.4-176.4179.4-179.9-179.50.6111.9K198 F199 I200 F206K198-R202 WeakPolarHBondContact O-CB 3.35Å; K198-R202 PolarHBondContact O-N 3.02Å; K198-R202 VanDerWaalsContact O-N 3.11Å; F199-R202 WeakPolarHBondContact O-CB 3.47Å; F199-R202 PolarHBondContact O-N 3.03Å; I200-R202 VanDerWaalsContact C-N 3.26Å; I200-R202 PolarHBondContact O-N 3.38Å; R202-F206 WeakPolarHBondContact O-CB 3.46Å; R202-F206 PolarHBondContact O-N 3.5Å; R202-F206 VanDerWaalsContact O-N 3.11Å
203C95Very high95.3Very high47 Ų4787 Ų8732%0.31841%0.412SS..Hα-helixtrans-65.1-44.3175.2-73.40000111.4F199 I200 A205 F206 I207F199-C203 PolarHBondContact O-N 3.2Å; F199-C203 PolarHBondContact O-SG 3Å; F199-C203 VanDerWaalsContact O-SG 3.38Å; I200-C203 WeakPolarHBondContact O-CA 3.35Å; I200-C203 WeakPolarHBondContact O-CB 3.26Å; I200-C203 PolarHBondContact O-N 2.96Å; C203-A205 PolarHBondContact O-N 3.23Å; C203-F206 PolarHBondContact O-N 3.2Å; C203-I207 WeakPolarHBondContact O-CB 3.33Å; C203-I207 VanDerWaalsContact O-CG1 3.27Å; C203-I207 WeakPolarHBondContact O-CG1 3.27Å; C203-I207 PolarHBondContact O-N 3.3Å
204E94.5Very high95.1Very high113 Ų11388.8 Ų88.853%0.52842%0.421SS..Hα-helixtrans-57.4-50.3176.5-71.6176.1168.800111.1I200 E201 F206 I207 D208I200-E204 HydrophobicContact CG2-CG 4.49Å; I200-E204 WeakPolarHBondContact O-CG 3.45Å; I200-E204 PolarHBondContact O-N 3.28Å; E201-E204 PolarHBondContact O-N 3.39Å; E204-F206 VanDerWaalsContact C-N 3.29Å; E204-F206 PolarHBondContact O-N 3.11Å; E204-I207 PolarHBondContact O-N 3.11Å; E204-D208 WeakPolarHBondContact O-CB 3.44Å; E204-D208 PolarHBondContact O-N 2.8Å
205A94.6Very high94.9Very high54 Ų5491 Ų9145%0.44644%0.44SS..Hα-helixtrans-60.6-37.217800000113.2E201 C203 T209E201-A205 PolarHBondContact O-N 2.89Å; C203-A205 PolarHBondContact O-N 3.23Å; A205-T209 WeakPolarHBondContact O-CB 3.49Å; A205-T209 PolarHBondContact O-N 3.29Å; A205-T209 VanDerWaalsContact O-N 3.11Å; A205-T209 PolarHBondContact O-OG1 2.94Å
206F94.6Very high94.5Very high152 Ų15295.3 Ų95.367%0.66746%0.459SS*.Hα-helixtrans-67.8-45.6176.3179.8-96.4000111.8R202 C203 E204 T209 Y210R202-F206 WeakPolarHBondContact O-CB 3.46Å; R202-F206 PolarHBondContact O-N 3.5Å; R202-F206 VanDerWaalsContact O-N 3.11Å; C203-F206 PolarHBondContact O-N 3.2Å; E204-F206 VanDerWaalsContact C-N 3.29Å; E204-F206 PolarHBondContact O-N 3.11Å; F206-T209 PolarHBondContact O-N 3.11Å; F206-Y210 WeakPolarHBondContact O-CB 3.45Å; F206-Y210 PolarHBondContact O-N 2.88Å
207I95.2Very high94.1Very high91 Ų9199 Ų9947%0.46748%0.482SS..Hα-helixtrans-62.6-45.4178.2-69.4166.8000110C203 E204 T209 Y210 L211C203-I207 WeakPolarHBondContact O-CB 3.33Å; C203-I207 VanDerWaalsContact O-CG1 3.27Å; C203-I207 WeakPolarHBondContact O-CG1 3.27Å; C203-I207 PolarHBondContact O-N 3.3Å; E204-I207 PolarHBondContact O-N 3.11Å; I207-T209 VanDerWaalsContact C-N 3.3Å; I207-T209 PolarHBondContact O-N 2.81Å; I207-Y210 WeakPolarHBondContact O-CB 3.47Å; I207-Y210 PolarHBondContact O-N 3.11Å; I207-Y210 VanDerWaalsContact O-N 3.11Å; I207-L211 HydrophobicContact CG2-CD1 3.82Å; I207-L211 HydrophobicContact CG2-CG 4.13Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.35Å
208D95.2Very high93.4Very high89 Ų8999.4 Ų99.448%0.47649%0.491SS..Hα-helixtrans-58.3-42.9176.5-81-14000112.2E204 Y210 L211 K212E204-D208 WeakPolarHBondContact O-CB 3.44Å; E204-D208 PolarHBondContact O-N 2.8Å; D208-Y210 VanDerWaalsContact C-N 3.34Å; D208-L211 PolarHBondContact O-N 2.89Å; D208-K212 WeakPolarHBondContact O-CB 3.49Å; D208-K212 VanDerWaalsContact O-CG 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 2.96Å
209T94.2Very high92.3Very high74 Ų74100.8 Ų100.845%0.45450%0.498SS..Hα-helixtrans-63.9-41.5176.8-58.90000111.2A205 F206 I207 K213A205-T209 WeakPolarHBondContact O-CB 3.49Å; A205-T209 PolarHBondContact O-N 3.29Å; A205-T209 VanDerWaalsContact O-N 3.11Å; A205-T209 PolarHBondContact O-OG1 2.94Å; F206-T209 PolarHBondContact O-N 3.11Å; I207-T209 VanDerWaalsContact C-N 3.3Å; I207-T209 PolarHBondContact O-N 2.81Å; T209-K213 WeakPolarHBondContact O-CG 3.28Å; T209-K213 PolarHBondContact O-N 3.18Å
210Y93.7Very high90.8Very high134 Ų134105.8 Ų105.853%0.52552%0.522SS..Hα-helixtrans-66.1-45.5177.5178.5-96.6000112.1F206 I207 D208 K212 K213 K214F206-Y210 WeakPolarHBondContact O-CB 3.45Å; F206-Y210 PolarHBondContact O-N 2.88Å; I207-Y210 WeakPolarHBondContact O-CB 3.47Å; I207-Y210 PolarHBondContact O-N 3.11Å; I207-Y210 VanDerWaalsContact O-N 3.11Å; D208-Y210 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 3.28Å; Y210-K213 PolarHBondContact O-N 3.48Å; Y210-K214 HydrophobicContact CE1-CD 4.2Å; Y210-K214 PolarHBondContact O-N 3Å
211L93.8Very high89Confident96 Ų96111.3 Ų111.350%0.50355%0.546SS..Hα-helixtrans-61.5-43.6178.1-71.8175.9000111.5I207 D208 K213 K214 A215I207-L211 HydrophobicContact CG2-CD1 3.82Å; I207-L211 HydrophobicContact CG2-CG 4.13Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.35Å; D208-L211 PolarHBondContact O-N 2.89Å; L211-K213 PolarHBondContact O-N 3.31Å; L211-K214 PolarHBondContact O-N 3.46Å; L211-A215 WeakPolarHBondContact O-CB 3.08Å; L211-A215 PolarHBondContact O-N 3.47Å
212K93.5Very high86.8Confident143 Ų143118.6 Ų118.662%0.62257%0.57SS**Hα-helixtrans-59-45.4175.5-75.2173.3-175.9173.40112.1D208 Y210 A215 Q216D208-K212 WeakPolarHBondContact O-CB 3.49Å; D208-K212 VanDerWaalsContact O-CG 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 2.96Å; Y210-K212 PolarHBondContact O-N 3.28Å; K212-A215 PolarHBondContact O-N 3.14Å; K212-Q216 WeakPolarHBondContact O-CG 3.37Å; K212-Q216 PolarHBondContact O-N 3.1Å; K212-Q216 VanDerWaalsContact O-N 3.12Å
213K92.3Very high86.4Confident133 Ų133115.8 Ų115.858%0.57857%0.566SS**Hα-helixtrans-62-46.8176.6-74.5179.3178.9-178.30111.8T209 Y210 L211 A215 Q216 T217T209-K213 WeakPolarHBondContact O-CG 3.28Å; T209-K213 PolarHBondContact O-N 3.18Å; Y210-K213 PolarHBondContact O-N 3.48Å; L211-K213 PolarHBondContact O-N 3.31Å; K213-A215 PolarHBondContact O-N 3.32Å; K213-Q216 PolarHBondContact O-N 3.19Å; K213-T217 PolarHBondContact O-N 3.41Å; K213-T217 VanDerWaalsContact O-N 3.1Å; K213-T217 PolarHBondContact O-OG1 3.06Å; K213-T217 VanDerWaalsContact O-OG1 3.1Å
214K91.8Very high85.9Confident131 Ų131119.4 Ų119.457%0.5758%0.579SS**Hα-helixtrans-64.7-39.2-179.4-170.1174.7-179.5178.40112.2Y210 L211 T217 A218Y210-K214 HydrophobicContact CE1-CD 4.2Å; Y210-K214 PolarHBondContact O-N 3Å; L211-K214 PolarHBondContact O-N 3.46Å; K214-T217 PolarHBondContact O-N 3.44Å; K214-A218 PolarHBondContact O-N 3.12Å
215A91Very high85.4Confident47 Ų47119.7 Ų119.739%0.38858%0.582SS.*Hα-helixtrans-61-47.6175.100000111.3L211 K212 K213 T217 A218 F219L211-A215 WeakPolarHBondContact O-CB 3.08Å; L211-A215 PolarHBondContact O-N 3.47Å; K212-A215 PolarHBondContact O-N 3.14Å; K213-A215 PolarHBondContact O-N 3.32Å; A215-T217 PolarHBondContact O-N 3.48Å; A215-A218 PolarHBondContact O-N 3.47Å; A215-F219 WeakPolarHBondContact O-CD2 3.35Å; A215-F219 PolarHBondContact O-N 3.1Å; A215-F219 VanDerWaalsContact O-N 3.14Å
216Q89.7Confident84.9Confident122 Ų122123.6 Ų123.657%0.5759%0.59SS**Hα-helixtrans-58.6-44.1177.5-72.5171.3-16.400112.4K212 K213 A218 F219 H220K212-Q216 WeakPolarHBondContact O-CG 3.37Å; K212-Q216 PolarHBondContact O-N 3.1Å; K212-Q216 VanDerWaalsContact O-N 3.12Å; K213-Q216 PolarHBondContact O-N 3.19Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.3Å; Q216-F219 PolarHBondContact O-N 3.31Å; Q216-H220 PolarHBondContact O-CD2 3.42Å; Q216-H220 PolarHBondContact O-N 3.27Å
217T87.9Confident84.3Confident81 Ų81121.8 Ų121.850%0.49759%0.585SS.*Hα-helixtrans-64-38.8177.3-48.90000112.1K213 K214 A215 F219 H220 H221K213-T217 PolarHBondContact O-N 3.41Å; K213-T217 VanDerWaalsContact O-N 3.1Å; K213-T217 PolarHBondContact O-OG1 3.06Å; K213-T217 VanDerWaalsContact O-OG1 3.1Å; K214-T217 PolarHBondContact O-N 3.44Å; A215-T217 PolarHBondContact O-N 3.48Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.43Å; T217-H220 PolarHBondContact O-N 3.18Å; T217-H221 PolarHBondContact O-CD2 3.4Å; T217-H221 VanDerWaalsContact O-CD2 3.27Å
218A82.8Confident83.5Confident55 Ų55123.9 Ų123.946%0.45559%0.593SS.*Hα-helixtrans-65.1-33.1177.700000113K214 A215 Q216K214-A218 PolarHBondContact O-N 3.12Å; A215-A218 PolarHBondContact O-N 3.47Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.3Å
219F74.1Confident82.7Confident165 Ų165126.4 Ų126.472%0.72460%0.601SS**Hα-helixtrans-71.5-27.1176.2-78.3-71.1000113.8A215 Q216 T217 H221A215-F219 WeakPolarHBondContact O-CD2 3.35Å; A215-F219 PolarHBondContact O-N 3.1Å; A215-F219 VanDerWaalsContact O-N 3.14Å; Q216-F219 PolarHBondContact O-N 3.31Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.43Å; F219-H221 VanDerWaalsContact C-N 3.27Å; F219-H221 PolarHBondContact O-N 3.46Å
220H65.7Low81.8Confident162 Ų162130.4 Ų130.475%0.7561%0.612SS**THydrogen-bonded Turntrans-80-4178.9-74.4-61.4000114.4Q216 T217Q216-H220 PolarHBondContact O-CD2 3.42Å; Q216-H220 PolarHBondContact O-N 3.27Å; T217-H220 PolarHBondContact O-N 3.18Å
221H57.4Low80.8Confident156 Ų156130.1 Ų130.172%0.72262%0.62SS**THydrogen-bonded Turntrans-100.310.2178.2-77.5-66.1000114.2T217 F219T217-H221 PolarHBondContact O-CD2 3.4Å; T217-H221 VanDerWaalsContact O-CD2 3.27Å; F219-H221 VanDerWaalsContact C-N 3.27Å; F219-H221 PolarHBondContact O-N 3.46Å
222Y50.2Low79.7Confident270 Ų270133.2 Ų133.2100%1.05963%0.63SS**  trans-115.80169.4-74.6-81.3000110.2

Retrieved 222 of 222 residues in 44.5 ms (Link to these results)

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