A0A087YKM2_POEFO Loading...

Protein yippee-like

AlphaFold DB (A0A3B3US66), UniProt , Accession A0A087YKM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 120 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
1M53.7Low85.5Confident246 Ų246108 Ų108100%1.21257%0.573SS**  01250-61.2-174.3-155.200107.8
2G76.8Confident85.8Confident77 Ų77104 Ų10479%0.79456%0.56SS**PPolyproline II helixtrans-73150.3-177.200000112.2
3R82.8Confident86.5Confident222 Ų222104.8 Ų104.884%0.83855%0.55SS**PPolyproline II helixtrans-77.8130.7173.1-66.4-179.8180173.6-1.1109.2F5R3-F5 HydrophobicContact CB-CE2 4.36Å
4I85.8Confident87.2Confident96 Ų9697.8 Ų97.849%0.49251%0.513SS..PPolyproline II helixtrans-84.2119171.4-58.6176.8000107.5L6 K74I4-L6 HydrophobicContact CG2-CD2 3.85Å; I4-L6 HydrophobicContact CG2-CG 4.23Å; I4-K74 HydrophobicContact CG2-CG 4.43Å
5F90.5Very high88Confident158 Ų15891.3 Ų91.369%0.69348%0.479SS*.PPolyproline II helixtrans-87.5123.9171.5-65.5-86.9000109.3R3 K74R3-F5 HydrophobicContact CB-CE2 4.36Å; F5-K74 PolarHBondContact O-NZ 2.83Å
6L93.1Very high88.6Confident77 Ų7786.1 Ų86.140%0.40345%0.453SS..  trans-112.8133.4177.6-61.5176.5000109.3I4 T22 N50 K74I4-L6 HydrophobicContact CG2-CD2 3.85Å; I4-L6 HydrophobicContact CG2-CG 4.23Å; L6-T22 HydrophobicContact CD1-CG2 4.07Å; L6-T22 HydrophobicContact CD2-CG2 4.12Å; L6-N50 VanDerWaalsContact CA-OD1 3.27Å; L6-N50 WeakPolarHBondContact CA-OD1 3.42Å; L6-N50 HydrophobicContact CD2-CB 4.11Å; L6-K74 HydrophobicContact CD2-CD 4.46Å
7D92.9Very high89.2Confident101 Ų10181 Ų8154%0.5443%0.426SS..  trans-86.2150.9177.4-63.2-45.5000110.6V49 N50D7-V49 HydrophobicContact CB-CB 4.09Å; D7-V49 HydrophobicContact CB-CG1 4.29Å; D7-V49 HydrophobicContact CB-CG2 4.29Å; D7-N50 PolarHBondContact N-OD1 2.89Å; D7-N50 PolarHBondContact O-ND2 3.04Å
8H91.1Very high89.7Confident116 Ų11677.8 Ų77.854%0.53741%0.413SS..  trans-120.3118.3173.4-165-81.7000109.8G10H8-G10 VanDerWaalsContact C-N 3.33Å; H8-G10 PolarHBondContact ND1-N 3.19Å; H8-G10 VanDerWaalsContact ND1-N 3.16Å
9I92.3Very high90.1Very high36 Ų3679.5 Ų79.519%0.18542%0.422CS..  trans-80.8-13.7-174.6-160.8165.5000113.4L14 N26 E29 K47 V49I9-L14 HydrophobicContact CG2-CD2 4.45Å; I9-N26 HydrophobicContact CG2-CB 3.99Å; I9-E29 HydrophobicContact CD1-CG 3.85Å; I9-K47 HydrophobicContact CD1-CB 4.46Å; I9-K47 HydrophobicContact CD1-CD 4.12Å; I9-K47 HydrophobicContact CD1-CG 4.22Å; I9-V49 HydrophobicContact CB-CG2 4.44Å
10G90.8Very high90.5Very high24 Ų2477.3 Ų77.325%0.24741%0.413CS..  trans69.6-177-176.300000113.2H8 L14 N26H8-G10 VanDerWaalsContact C-N 3.33Å; H8-G10 PolarHBondContact ND1-N 3.19Å; H8-G10 VanDerWaalsContact ND1-N 3.16Å; G10-L14 VanDerWaalsContact O-CD2 3.27Å; G10-L14 WeakPolarHBondContact O-CD2 3.33Å; G10-N26 VanDerWaalsContact O-CB 3.31Å; G10-N26 WeakPolarHBondContact O-CB 3.44Å; G10-N26 PolarHBondContact O-ND2 3.42Å
11G90.4Very high90.8Very high35 Ų3577.8 Ų77.836%0.36142%0.416SS..  trans108.3159.717900000113.7
12S89.3Confident92.9Very high60 Ų6066.7 Ų66.742%0.4236%0.362SS..SBendtrans-79.6-17.7-174.952.70000114.1E110 G111S12-E110 CarbonylContact O-C 3.53Å; S12-G111 PolarHBondContact O-N 3.14Å
13R94.9Very high93.9Very high115 Ų11564.6 Ų64.643%0.43433%0.332SS..EExtended strand (participates in β ladder)trans-135.5120.4173.9-74.6-173.1177.9163.37.5110.4N26 R27 S109 E110R13-N26 CarbonylContact O-C 3.4Å; R13-N26 WeakPolarHBondContact O-CA 3.41Å; R13-N26 VanDerWaalsContact O-CB 3.28Å; R13-N26 WeakPolarHBondContact O-CB 3.31Å; R13-R27 HydrophobicContact CB-CB 3.77Å; R13-R27 PolarHBondContact O-N 2.86Å; R13-S109 WeakPolarHBondContact CA-O 3.49Å; R13-E110 IonicContact CZ-OE1 3.52Å; R13-E110 IonicContact NE-OE1 3.48Å; R13-E110 PolarHBondContact NE-OE1 2.84Å; R13-E110 VanDerWaalsContact NE-OE1 3.12Å; R13-E110 IonicContact NE-OE2 2.67Å; R13-E110 IonicContact NH2-OE1 3.27Å
14L97Very high94.6Very high6 Ų654 Ų543%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-112.6149.1-171.3-59.4178000111I9 G10 I23 T25 N26 E108 S109I9-L14 HydrophobicContact CG2-CD2 4.45Å; G10-L14 VanDerWaalsContact O-CD2 3.27Å; G10-L14 WeakPolarHBondContact O-CD2 3.33Å; L14-I23 HydrophobicContact CB-CD1 4.22Å; L14-I23 HydrophobicContact CD1-CD1 3.94Å; L14-I23 HydrophobicContact CD1-CG1 4.37Å; L14-I23 HydrophobicContact CD1-CG2 4.39Å; L14-I23 HydrophobicContact CD2-CG2 4.36Å; L14-T25 WeakPolarHBondContact CA-O 3.34Å; L14-N26 HydrophobicContact CD2-CB 3.83Å; L14-E108 CarbonylContact O-C 3.49Å; L14-E108 VanDerWaalsContact O-CA 3.31Å; L14-E108 WeakPolarHBondContact O-CA 3.21Å; L14-S109 PolarHBondContact N-O 3.14Å; L14-S109 PolarHBondContact O-N 3.41Å
15F98.1Very high95.2Very high1 Ų149.4 Ų49.40%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-109.7127.7167.5-67.6-93.1000109.1L24 T25 F43 F45 V106 R107 E108F15-L24 WeakPolarHBondContact O-CB 3.16Å; F15-L24 PolarHBondContact O-N 3.45Å; F15-T25 HydrophobicContact CB-CG2 3.74Å; F15-T25 HydrophobicContact CD2-CG2 4.01Å; F15-T25 HydrophobicContact CG-CG2 4.15Å; F15-T25 PolarHBondContact N-O 3.15Å; F15-T25 PolarHBondContact O-N 2.82Å; F15-F43 HydrophobicContact CE1-CD2 4.12Å; F15-F43 AromaticContact CE1-CE2 3.91Å; F15-F43 HydrophobicContact CE1-CE2 3.91Å; F15-F45 HydrophobicContact CD1-CZ 4.07Å; F15-F45 AromaticContact CD2-CE1 3.79Å; F15-F45 HydrophobicContact CD2-CE1 3.79Å; F15-F45 AromaticContact CD2-CZ 3.76Å; F15-F45 HydrophobicContact CD2-CZ 3.76Å; F15-F45 HydrophobicContact CE1-CZ 4.12Å; F15-F45 AromaticContact CE2-CE1 3.77Å; F15-F45 HydrophobicContact CE2-CE1 3.77Å; F15-F45 AromaticContact CE2-CZ 3.82Å; F15-F45 HydrophobicContact CE2-CZ 3.82Å; F15-F45 HydrophobicContact CG-CE1 4.36Å; F15-F45 AromaticContact CG-CZ 3.89Å; F15-F45 HydrophobicContact CG-CZ 3.89Å; F15-F45 HydrophobicContact CZ-CE1 4.32Å; F15-F45 HydrophobicContact CZ-CZ 4Å; F15-V106 HydrophobicContact CD1-CG2 4.19Å; F15-R107 CarbonylContact C-O 3.6Å; F15-R107 VanDerWaalsContact CA-O 3.25Å; F15-R107 WeakPolarHBondContact CA-O 3.42Å; F15-E108 HydrophobicContact CD1-CB 4.2Å; F15-E108 HydrophobicContact CD1-CG 4.49Å; F15-E108 HydrophobicContact CE1-CB 3.93Å; F15-E108 HydrophobicContact CE1-CG 4.01Å; F15-E108 HydrophobicContact CZ-CB 4.45Å; F15-E108 HydrophobicContact CZ-CG 4.01Å
16S98.3Very high95.5Very high7 Ų742.5 Ų42.55%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-121158.3179.969.40000111.9A18 T22 V106 R107S16-A18 PolarHBondContact O-N 2.79Å; S16-T22 CarbonylContact C-O 3.52Å; S16-T22 VanDerWaalsContact CA-O 3.27Å; S16-T22 WeakPolarHBondContact CA-O 3.37Å; S16-V106 CarbonylContact O-C 3.48Å; S16-V106 WeakPolarHBondContact O-CA 3.47Å; S16-V106 WeakPolarHBondContact O-CB 3.47Å; S16-R107 PolarHBondContact N-O 2.9Å; S16-R107 PolarHBondContact O-N 3.36Å
17C98.6Very high95.7Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-63124.5172.4174.10000110.1N19 C20 D21 T22 L24 C73 L80C17-N19 PolarHBondContact O-N 3Å; C17-N19 VanDerWaalsContact O-N 3.09Å; C17-N19 PolarHBondContact SG-N 3.1Å; C17-C20 PolarHBondContact O-N 3.05Å; C17-D21 VanDerWaalsContact O-CA 3.27Å; C17-D21 WeakPolarHBondContact O-CA 3.32Å; C17-D21 PolarHBondContact O-N 2.87Å; C17-T22 PolarHBondContact N-O 3Å; C17-L24 HydrophobicContact CB-CD1 4.18Å; C17-C73 HydrophobicContact CB-CB 4.36Å; C17-L80 HydrophobicContact CB-CD2 4.42Å
18A98.3Very high95.8Very high24 Ų2443.2 Ų43.220%0.19825%0.248CC..THydrogen-bonded Turntrans-65.7-16.3-178.200000114.3S16 L105 R107S16-A18 PolarHBondContact O-N 2.79Å; A18-L105 WeakPolarHBondContact CB-O 3.4Å; A18-L105 PolarHBondContact N-O 3.49Å; A18-R107 HydrophobicContact CB-CG 4.06Å; A18-R107 PolarHBondContact O-NH1 3.37Å; A18-R107 PolarHBondContact O-NH2 2.66Å
19N98.3Very high96.2Very high109 Ų10939.6 Ų39.658%0.58323%0.232SC*.THydrogen-bonded Turntrans-90.8-31.4-179-173.354.5000113.8C17 C76 S78C17-N19 PolarHBondContact O-N 3Å; C17-N19 VanDerWaalsContact O-N 3.09Å; C17-N19 PolarHBondContact SG-N 3.1Å; N19-C76 PolarHBondContact ND2-SG 2.76Å; N19-S78 WeakPolarHBondContact CB-OG 3.49Å; N19-S78 PolarHBondContact ND2-OG 3.36Å
20C97.7Very high96.4Very high35 Ų3539.4 Ų39.424%0.23623%0.231CC..THydrogen-bonded Turntrans-140.68.1-173.572.10000114.8C17 T22 C73 C76C17-C20 PolarHBondContact O-N 3.05Å; C20-T22 PolarHBondContact O-N 3.23Å; C20-T22 PolarHBondContact SG-OG1 3.42Å; C20-C73 VanDerWaalsContact SG-SG 3.61Å; C20-C76 HydrophobicContact CB-CB 3.85Å; C20-C76 PolarHBondContact SG-SG 2.98Å
21D96.9Very high96.8Very high89 Ų8942.2 Ų42.248%0.47624%0.239SC..  trans58.812.3176.1-55.6-56.3000115.6C17 I23 R107C17-D21 VanDerWaalsContact O-CA 3.27Å; C17-D21 WeakPolarHBondContact O-CA 3.32Å; C17-D21 PolarHBondContact O-N 2.87Å; D21-I23 PolarHBondContact O-N 3.13Å; D21-R107 IonicContact OD1-CZ 2.77Å; D21-R107 IonicContact OD1-NH1 2.66Å; D21-R107 PolarHBondContact OD1-NH1 3.21Å; D21-R107 IonicContact OD2-NH1 3.88Å
22T97.3Very high97.1Very high12 Ų1242 Ų427%0.07423%0.232CC..  trans-59.6125.4171-64.80000110.1L6 S16 C17 C20 N50 N75L6-T22 HydrophobicContact CD1-CG2 4.07Å; L6-T22 HydrophobicContact CD2-CG2 4.12Å; S16-T22 CarbonylContact C-O 3.52Å; S16-T22 VanDerWaalsContact CA-O 3.27Å; S16-T22 WeakPolarHBondContact CA-O 3.37Å; C17-T22 PolarHBondContact N-O 3Å; C20-T22 PolarHBondContact O-N 3.23Å; C20-T22 PolarHBondContact SG-OG1 3.42Å; T22-N50 HydrophobicContact CG2-CB 3.78Å; T22-N75 HydrophobicContact CG2-CB 4.43Å; T22-N75 WeakPolarHBondContact OG1-CB 3.47Å; T22-N75 PolarHBondContact OG1-ND2 3.21Å
23I97.4Very high97.5Very high33 Ų3342.4 Ų42.417%0.16923%0.232CC..EExtended strand (participates in β ladder)trans-64.5133177.3-57.7-54.3000110L14 D21 N50L14-I23 HydrophobicContact CB-CD1 4.22Å; L14-I23 HydrophobicContact CD1-CD1 3.94Å; L14-I23 HydrophobicContact CD1-CG1 4.37Å; L14-I23 HydrophobicContact CD1-CG2 4.39Å; L14-I23 HydrophobicContact CD2-CG2 4.36Å; D21-I23 PolarHBondContact O-N 3.13Å; I23-N50 PolarHBondContact O-ND2 3Å
24L98.2Very high97.5Very high0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-116.2-44.9-175.7-62.1172.1000111.6F15 C17 V48 V49 N50 L51 L80 L101 V106F15-L24 WeakPolarHBondContact O-CB 3.16Å; F15-L24 PolarHBondContact O-N 3.45Å; C17-L24 HydrophobicContact CB-CD1 4.18Å; L24-V48 HydrophobicContact CB-CG1 3.78Å; L24-V48 CarbonylContact O-C 3.58Å; L24-V48 WeakPolarHBondContact O-CA 3.33Å; L24-V48 VanDerWaalsContact O-CG1 3.31Å; L24-V48 WeakPolarHBondContact O-CG1 3.49Å; L24-V49 VanDerWaalsContact O-CG2 3.28Å; L24-V49 WeakPolarHBondContact O-CG2 3.38Å; L24-V49 PolarHBondContact O-N 3.17Å; L24-N50 HydrophobicContact CD2-CB 4.41Å; L24-L51 HydrophobicContact CD2-CD2 4.05Å; L24-L80 HydrophobicContact CD1-CD1 3.55Å; L24-L80 HydrophobicContact CD1-CD2 4.39Å; L24-L80 HydrophobicContact CD2-CD1 3.9Å; L24-L80 HydrophobicContact CG-CD1 4.38Å; L24-L101 HydrophobicContact CB-CD1 4.46Å; L24-L101 HydrophobicContact CD1-CD1 4.28Å; L24-V106 HydrophobicContact CD1-CG1 3.95Å
25T98.4Very high97.5Very high0 Ų048.8 Ų48.80%026%0.257CS..EExtended strand (participates in β ladder)trans-159.6-174.8-177.8-170.30000110.5L14 F15 E29 F45 K47 V48 L101L14-T25 WeakPolarHBondContact CA-O 3.34Å; F15-T25 HydrophobicContact CB-CG2 3.74Å; F15-T25 HydrophobicContact CD2-CG2 4.01Å; F15-T25 HydrophobicContact CG-CG2 4.15Å; F15-T25 PolarHBondContact N-O 3.15Å; F15-T25 PolarHBondContact O-N 2.82Å; T25-E29 WeakPolarHBondContact OG1-CB 3.25Å; T25-F45 HydrophobicContact CG2-CD1 3.59Å; T25-F45 HydrophobicContact CG2-CD2 4.2Å; T25-F45 HydrophobicContact CG2-CE1 3.5Å; T25-F45 HydrophobicContact CG2-CE2 4.09Å; T25-F45 HydrophobicContact CG2-CG 3.95Å; T25-F45 HydrophobicContact CG2-CZ 3.77Å; T25-K47 WeakPolarHBondContact CB-O 3.39Å; T25-K47 PolarHBondContact OG1-O 2.97Å; T25-V48 HydrophobicContact CG2-CG2 4.24Å; T25-L101 HydrophobicContact CG2-CD1 4.2Å
26N97.1Very high97.4Very high13 Ų1353.7 Ų53.77%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-131.6174.4176.269.932.3000111.4I9 G10 R13 L14 A28 E29I9-N26 HydrophobicContact CG2-CB 3.99Å; G10-N26 VanDerWaalsContact O-CB 3.31Å; G10-N26 WeakPolarHBondContact O-CB 3.44Å; G10-N26 PolarHBondContact O-ND2 3.42Å; R13-N26 CarbonylContact O-C 3.4Å; R13-N26 WeakPolarHBondContact O-CA 3.41Å; R13-N26 VanDerWaalsContact O-CB 3.28Å; R13-N26 WeakPolarHBondContact O-CB 3.31Å; L14-N26 HydrophobicContact CD2-CB 3.83Å; N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.15Å; N26-A28 WeakPolarHBondContact OD1-CB 3.23Å; N26-A28 PolarHBondContact OD1-N 3.36Å; N26-E29 PolarHBondContact O-N 3Å; N26-E29 WeakPolarHBondContact OD1-CG 3.22Å; N26-E29 PolarHBondContact OD1-N 3.42Å; N26-E29 VanDerWaalsContact OD1-N 3.15Å
27R96.3Very high97.2Very high101 Ų10154.3 Ų54.338%0.38129%0.294SS..G310 helixtrans-67-28.1-178.6-168.367.8179.7-158.79.3113.9R13 E29 L30 E108R13-R27 HydrophobicContact CB-CB 3.77Å; R13-R27 PolarHBondContact O-N 2.86Å; R27-E29 PolarHBondContact O-N 3.19Å; R27-L30 VanDerWaalsContact CZ-CD2 3.42Å; R27-L30 VanDerWaalsContact O-CB 3.31Å; R27-L30 WeakPolarHBondContact O-CB 3.29Å; R27-L30 PolarHBondContact O-N 2.86Å; R27-E108 IonicContact CZ-OE1 2.76Å; R27-E108 IonicContact NH1-OE1 2.75Å; R27-E108 PolarHBondContact NH1-OE1 3.3Å; R27-E108 IonicContact NH1-OE2 3.65Å; R27-E108 PolarHBondContact NH1-OE2 3.4Å
28A96.3Very high96.9Very high91 Ų9159 Ų5975%0.75233%0.333SS*.G310 helixtrans-67.6-27.2179.300000112.1N26 L30N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.15Å; N26-A28 WeakPolarHBondContact OD1-CB 3.23Å; N26-A28 PolarHBondContact OD1-N 3.36Å; A28-L30 VanDerWaalsContact C-N 3.31Å
29E98Very high96.7Very high41 Ų4161.2 Ų61.219%0.19234%0.344CS..G310 helixtrans-82.2-5.4176.2-61.9-62.5157.200113.4I9 T25 N26 R27 I31 F45 N46 K47I9-E29 HydrophobicContact CD1-CG 3.85Å; T25-E29 WeakPolarHBondContact OG1-CB 3.25Å; N26-E29 PolarHBondContact O-N 3Å; N26-E29 WeakPolarHBondContact OD1-CG 3.22Å; N26-E29 PolarHBondContact OD1-N 3.42Å; N26-E29 VanDerWaalsContact OD1-N 3.15Å; R27-E29 PolarHBondContact O-N 3.19Å; E29-I31 PolarHBondContact O-N 3.19Å; E29-F45 HydrophobicContact CB-CD1 4.26Å; E29-F45 CarbonylContact O-C 3.51Å; E29-F45 VanDerWaalsContact O-CA 3.25Å; E29-F45 WeakPolarHBondContact O-CA 3.48Å; E29-N46 PolarHBondContact O-N 2.76Å; E29-N46 VanDerWaalsContact OE2-CB 3.29Å; E29-N46 WeakPolarHBondContact OE2-CB 3.37Å; E29-N46 PolarHBondContact OE2-ND2 3.24Å; E29-K47 HydrophobicContact CG-CB 4.06Å; E29-K47 VanDerWaalsContact OE2-CB 3.23Å; E29-K47 WeakPolarHBondContact OE2-CB 3.49Å; E29-K47 PolarHBondContact OE2-N 2.84Å
30L98Very high96.6Very high32 Ų3257.5 Ų57.517%0.16833%0.331CS..EExtended strand (participates in β ladder)trans-74.6118-178.4-179.667000111.1R27 A28 T33 F43 F45R27-L30 VanDerWaalsContact CZ-CD2 3.42Å; R27-L30 VanDerWaalsContact O-CB 3.31Å; R27-L30 WeakPolarHBondContact O-CB 3.29Å; R27-L30 PolarHBondContact O-N 2.86Å; A28-L30 VanDerWaalsContact C-N 3.31Å; L30-T33 HydrophobicContact CD1-CG2 4.35Å; L30-T33 HydrophobicContact CD2-CG2 3.84Å; L30-T33 HydrophobicContact CG-CG2 4.46Å; L30-F43 HydrophobicContact CD1-CB 3.76Å; L30-F43 HydrophobicContact CD1-CD1 4.26Å; L30-F43 HydrophobicContact CD1-CG 4.2Å; L30-F45 HydrophobicContact CB-CD1 4.05Å; L30-F45 HydrophobicContact CB-CE1 3.78Å; L30-F45 HydrophobicContact CD1-CD1 4.12Å; L30-F45 HydrophobicContact CD1-CE1 3.69Å; L30-F45 HydrophobicContact CD1-CE2 4.39Å; L30-F45 HydrophobicContact CD1-CZ 3.84Å; L30-F45 HydrophobicContact CG-CE1 4.31Å
31I98.1Very high96.6Very high83 Ų8364.3 Ų64.343%0.42635%0.352SS..EExtended strand (participates in β ladder)trans-90.4-47.1177.5-60.2171.5000111.1E29 L44 N46 R98E29-I31 PolarHBondContact O-N 3.19Å; I31-L44 WeakPolarHBondContact CA-O 3.1Å; I31-L44 HydrophobicContact CB-CB 4.46Å; I31-L44 HydrophobicContact CB-CD2 4.08Å; I31-L44 HydrophobicContact CB-CG 4.27Å; I31-L44 WeakPolarHBondContact CB-O 3.49Å; I31-L44 HydrophobicContact CD1-CD2 4.25Å; I31-L44 HydrophobicContact CD1-CG 4.33Å; I31-L44 HydrophobicContact CG2-CD2 3.9Å; I31-L44 PolarHBondContact N-O 2.84Å; I31-N46 HydrophobicContact CD1-CB 3.83Å; I31-N46 HydrophobicContact CG1-CB 4.06Å; I31-R98 HydrophobicContact CD1-CG 4.05Å
32S97.7Very high96.6Very high31 Ų3160 Ų6022%0.21733%0.329CS..EExtended strand (participates in β ladder)trans-156.4144.2-173.8178.50000112.8R34 F43 L44S32-R34 PolarHBondContact OG-N 2.92Å; S32-F43 WeakPolarHBondContact O-CA 3.28Å; S32-L44 PolarHBondContact N-O 2.89Å; S32-L44 PolarHBondContact O-N 3.24Å
33T97.1Very high96.7Very high68 Ų6860.5 Ų60.542%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-104.98175.367.20000113.3L30 F35 F43L30-T33 HydrophobicContact CD1-CG2 4.35Å; L30-T33 HydrophobicContact CD2-CG2 3.84Å; L30-T33 HydrophobicContact CG-CG2 4.46Å; T33-F35 VanDerWaalsContact C-N 3.31Å; T33-F43 HydrophobicContact CG2-CD1 3.83Å; T33-F43 HydrophobicContact CG2-CE1 3.95Å
34R95.6Very high96.7Very high228 Ų22859 Ų5986%0.8632%0.322SS*.EExtended strand (participates in β ladder)trans-93.114.1-173.1-61.3-174.3178.9-177.30.3113.3S32S32-R34 PolarHBondContact OG-N 2.92Å
35F96.4Very high96.7Very high27 Ų2759 Ų5912%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-93.8159.7-179.6-75.6-99.3000111.2T33 A42 L44 K95 I100T33-F35 VanDerWaalsContact C-N 3.31Å; F35-A42 HydrophobicContact CB-CB 4.31Å; F35-A42 PolarHBondContact O-N 2.81Å; F35-L44 HydrophobicContact CD2-CB 3.7Å; F35-L44 HydrophobicContact CE2-CB 3.67Å; F35-L44 HydrophobicContact CE2-CD2 3.66Å; F35-L44 HydrophobicContact CE2-CG 4.17Å; F35-L44 HydrophobicContact CG-CB 4.36Å; F35-L44 HydrophobicContact CZ-CB 4.29Å; F35-L44 HydrophobicContact CZ-CD1 4.38Å; F35-L44 HydrophobicContact CZ-CD2 3.72Å; F35-L44 HydrophobicContact CZ-CG 4.37Å; F35-K95 HydrophobicContact CE1-CD 4.37Å; F35-I100 HydrophobicContact CB-CD1 3.73Å; F35-I100 HydrophobicContact CD1-CD1 3.49Å; F35-I100 VanDerWaalsContact CD1-CD1 3.49Å; F35-I100 HydrophobicContact CD2-CD1 4.29Å; F35-I100 HydrophobicContact CE1-CD1 4.14Å; F35-I100 HydrophobicContact CG-CD1 3.57Å
36T95.9Very high96.7Very high104 Ų10462.1 Ų62.164%0.63834%0.339SS*.EExtended strand (participates in β ladder)trans-133.7135.9179-550000108.9G40T36-G40 CarbonylContact C-O 3.52Å; T36-G40 VanDerWaalsContact CA-O 3.25Å; T36-G40 WeakPolarHBondContact CA-O 3.45Å; T36-G40 WeakPolarHBondContact CG2-O 3.5Å
37G93Very high96.8Very high19 Ų1966.7 Ų66.720%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-120.1-162.1172.200000111.8T39 G40G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.12Å; G37-G40 PolarHBondContact N-O 3.47Å; G37-G40 PolarHBondContact O-N 2.86Å
38A92.8Very high96.9Very high99 Ų9962.8 Ų62.882%0.81835%0.346SS*.THydrogen-bonded Turntrans-67.2-29.7-175.300000112.8E102A38-E102 PolarHBondContact N-OE1 3.36Å; A38-E102 PolarHBondContact N-OE2 2.86Å
39T94.6Very high97Very high71 Ų7159.3 Ų59.344%0.43632%0.315SS..THydrogen-bonded Turntrans-98.515.3-179.868.40000113.2G37 E102 A104G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.12Å; T39-E102 WeakPolarHBondContact CA-OE2 3.19Å; T39-E102 WeakPolarHBondContact CB-OE2 3.27Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.3Å; T39-E102 PolarHBondContact N-OE2 2.83Å; T39-E102 WeakPolarHBondContact OG1-CB 3.34Å; T39-E102 PolarHBondContact OG1-OE2 3Å; T39-A104 WeakPolarHBondContact OG1-CB 3.38Å
40G95.6Very high97Very high30 Ų3057.7 Ų57.731%0.30931%0.308SS..EExtended strand (participates in β ladder)trans99.1-131.1-179.800000112.4T36 G37T36-G40 CarbonylContact C-O 3.52Å; T36-G40 VanDerWaalsContact CA-O 3.25Å; T36-G40 WeakPolarHBondContact CA-O 3.45Å; T36-G40 WeakPolarHBondContact CG2-O 3.5Å; G37-G40 PolarHBondContact N-O 3.47Å; G37-G40 PolarHBondContact O-N 2.86Å
41R97.3Very high97Very high178 Ų17857.2 Ų57.267%0.67231%0.305SS*.EExtended strand (participates in β ladder)trans-59.3140.5-173.7-69.4-175.3-177.4170.81.2112.2R103R41-R103 HydrophobicContact CB-CB 4.41Å; R41-R103 WeakPolarHBondContact O-CB 3.32Å; R41-R103 PolarHBondContact O-N 2.93Å
42A98.1Very high97Very high0 Ų057.1 Ų57.10%030%0.303CS..EExtended strand (participates in β ladder)trans-138.2161.1177.600000111.6F35 I100 L101 E102F35-A42 HydrophobicContact CB-CB 4.31Å; F35-A42 PolarHBondContact O-N 2.81Å; A42-I100 HydrophobicContact CB-CG2 3.59Å; A42-L101 WeakPolarHBondContact CA-O 3.27Å; A42-E102 HydrophobicContact CB-CG 4.39Å
43F98.5Very high97Very high22 Ų2260 Ų6010%0.09631%0.313CS..EExtended strand (participates in β ladder)trans-115.4134.7-176.5-58.2-49.8000109.8F15 L30 S32 T33 F45 I100 L101 R103 V106F15-F43 HydrophobicContact CE1-CD2 4.12Å; F15-F43 AromaticContact CE1-CE2 3.91Å; F15-F43 HydrophobicContact CE1-CE2 3.91Å; L30-F43 HydrophobicContact CD1-CB 3.76Å; L30-F43 HydrophobicContact CD1-CD1 4.26Å; L30-F43 HydrophobicContact CD1-CG 4.2Å; S32-F43 WeakPolarHBondContact O-CA 3.28Å; T33-F43 HydrophobicContact CG2-CD1 3.83Å; T33-F43 HydrophobicContact CG2-CE1 3.95Å; F43-F45 HydrophobicContact CB-CD2 3.96Å; F43-F45 HydrophobicContact CB-CE2 3.28Å; F43-F45 HydrophobicContact CB-CZ 3.76Å; F43-F45 HydrophobicContact CD2-CE2 4.17Å; F43-F45 HydrophobicContact CD2-CZ 4.24Å; F43-F45 HydrophobicContact CG-CE2 4.14Å; F43-F45 HydrophobicContact CG-CZ 4.27Å; F43-I100 VanDerWaalsContact O-CA 3.26Å; F43-I100 WeakPolarHBondContact O-CA 3.26Å; F43-L101 PolarHBondContact N-O 2.8Å; F43-L101 PolarHBondContact O-N 3.26Å; F43-R103 HydrophobicContact CE2-CB 3.85Å; F43-R103 HydrophobicContact CE2-CG 3.78Å; F43-R103 HydrophobicContact CZ-CB 4Å; F43-R103 HydrophobicContact CZ-CG 3.68Å; F43-V106 HydrophobicContact CD2-CG2 4.28Å; F43-V106 HydrophobicContact CE2-CG2 4.26Å
44L98.6Very high97.1Very high0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-94.2123170.7-174.275.5000109.1I31 S32 F35 Y84 Y94 R98 I99 I100I31-L44 WeakPolarHBondContact CA-O 3.1Å; I31-L44 HydrophobicContact CB-CB 4.46Å; I31-L44 HydrophobicContact CB-CD2 4.08Å; I31-L44 HydrophobicContact CB-CG 4.27Å; I31-L44 WeakPolarHBondContact CB-O 3.49Å; I31-L44 HydrophobicContact CD1-CD2 4.25Å; I31-L44 HydrophobicContact CD1-CG 4.33Å; I31-L44 HydrophobicContact CG2-CD2 3.9Å; I31-L44 PolarHBondContact N-O 2.84Å; S32-L44 PolarHBondContact N-O 2.89Å; S32-L44 PolarHBondContact O-N 3.24Å; F35-L44 HydrophobicContact CD2-CB 3.7Å; F35-L44 HydrophobicContact CE2-CB 3.67Å; F35-L44 HydrophobicContact CE2-CD2 3.66Å; F35-L44 HydrophobicContact CE2-CG 4.17Å; F35-L44 HydrophobicContact CG-CB 4.36Å; F35-L44 HydrophobicContact CZ-CB 4.29Å; F35-L44 HydrophobicContact CZ-CD1 4.38Å; F35-L44 HydrophobicContact CZ-CD2 3.72Å; F35-L44 HydrophobicContact CZ-CG 4.37Å; L44-Y84 HydrophobicContact CD1-CE2 4.28Å; L44-Y94 HydrophobicContact CD2-CE2 4.26Å; L44-R98 HydrophobicContact CD1-CB 3.55Å; L44-R98 HydrophobicContact CD1-CG 4.48Å; L44-R98 HydrophobicContact CG-CB 4.09Å; L44-I99 WeakPolarHBondContact CA-O 3.2Å; L44-I100 HydrophobicContact CB-CD1 3.92Å; L44-I100 HydrophobicContact CD1-CD1 3.53Å; L44-I100 HydrophobicContact CD1-CG1 4.09Å; L44-I100 HydrophobicContact CG-CD1 4.37Å
45F98.7Very high97.2Very high0 Ų055.7 Ų55.70%030%0.302CS..EExtended strand (participates in β ladder)trans-116148.9178.3-67.2-84000111.7F15 T25 E29 L30 F43 V48 R98 I99 L101F15-F45 HydrophobicContact CD1-CZ 4.07Å; F15-F45 AromaticContact CD2-CE1 3.79Å; F15-F45 HydrophobicContact CD2-CE1 3.79Å; F15-F45 AromaticContact CD2-CZ 3.76Å; F15-F45 HydrophobicContact CD2-CZ 3.76Å; F15-F45 HydrophobicContact CE1-CZ 4.12Å; F15-F45 AromaticContact CE2-CE1 3.77Å; F15-F45 HydrophobicContact CE2-CE1 3.77Å; F15-F45 AromaticContact CE2-CZ 3.82Å; F15-F45 HydrophobicContact CE2-CZ 3.82Å; F15-F45 HydrophobicContact CG-CE1 4.36Å; F15-F45 AromaticContact CG-CZ 3.89Å; F15-F45 HydrophobicContact CG-CZ 3.89Å; F15-F45 HydrophobicContact CZ-CE1 4.32Å; F15-F45 HydrophobicContact CZ-CZ 4Å; T25-F45 HydrophobicContact CG2-CD1 3.59Å; T25-F45 HydrophobicContact CG2-CD2 4.2Å; T25-F45 HydrophobicContact CG2-CE1 3.5Å; T25-F45 HydrophobicContact CG2-CE2 4.09Å; T25-F45 HydrophobicContact CG2-CG 3.95Å; T25-F45 HydrophobicContact CG2-CZ 3.77Å; E29-F45 HydrophobicContact CB-CD1 4.26Å; E29-F45 CarbonylContact O-C 3.51Å; E29-F45 VanDerWaalsContact O-CA 3.25Å; E29-F45 WeakPolarHBondContact O-CA 3.48Å; L30-F45 HydrophobicContact CB-CD1 4.05Å; L30-F45 HydrophobicContact CB-CE1 3.78Å; L30-F45 HydrophobicContact CD1-CD1 4.12Å; L30-F45 HydrophobicContact CD1-CE1 3.69Å; L30-F45 HydrophobicContact CD1-CE2 4.39Å; L30-F45 HydrophobicContact CD1-CZ 3.84Å; L30-F45 HydrophobicContact CG-CE1 4.31Å; F43-F45 HydrophobicContact CB-CD2 3.96Å; F43-F45 HydrophobicContact CB-CE2 3.28Å; F43-F45 HydrophobicContact CB-CZ 3.76Å; F43-F45 HydrophobicContact CD2-CE2 4.17Å; F43-F45 HydrophobicContact CD2-CZ 4.24Å; F43-F45 HydrophobicContact CG-CE2 4.14Å; F43-F45 HydrophobicContact CG-CZ 4.27Å; F45-V48 HydrophobicContact CB-CG2 3.69Å; F45-V48 HydrophobicContact CD2-CG2 4.39Å; F45-V48 HydrophobicContact CG-CG2 4.2Å; F45-R98 WeakPolarHBondContact O-CA 3.12Å; F45-R98 WeakPolarHBondContact O-CB 3.5Å; F45-I99 PolarHBondContact N-O 3.02Å; F45-I99 PolarHBondContact O-N 3.41Å; F45-L101 HydrophobicContact CD2-CB 4.31Å; F45-L101 HydrophobicContact CD2-CD1 3.96Å; F45-L101 HydrophobicContact CD2-CG 4.05Å; F45-L101 HydrophobicContact CE2-CB 4.07Å; F45-L101 HydrophobicContact CE2-CD1 3.86Å; F45-L101 HydrophobicContact CE2-CG 4.16Å
46N98.3Very high97.3Very high66 Ų6657 Ų5735%0.35331%0.312SS..SBendtrans-74.6-46.8172.5178.465.4000111.8E29 I31 R98E29-N46 PolarHBondContact O-N 2.76Å; E29-N46 VanDerWaalsContact OE2-CB 3.29Å; E29-N46 WeakPolarHBondContact OE2-CB 3.37Å; E29-N46 PolarHBondContact OE2-ND2 3.24Å; I31-N46 HydrophobicContact CD1-CB 3.83Å; I31-N46 HydrophobicContact CG1-CB 4.06Å; N46-R98 PolarHBondContact OD1-NH1 2.77Å
47K97.8Very high97.4Very high109 Ų10956 Ų5647%0.47430%0.3SS..  trans-134.8138.5178.9-172177.4177.3-178.90111.6I9 T25 E29I9-K47 HydrophobicContact CD1-CB 4.46Å; I9-K47 HydrophobicContact CD1-CD 4.12Å; I9-K47 HydrophobicContact CD1-CG 4.22Å; T25-K47 WeakPolarHBondContact CB-O 3.39Å; T25-K47 PolarHBondContact OG1-O 2.97Å; E29-K47 HydrophobicContact CG-CB 4.06Å; E29-K47 VanDerWaalsContact OE2-CB 3.23Å; E29-K47 WeakPolarHBondContact OE2-CB 3.49Å; E29-K47 PolarHBondContact OE2-N 2.84Å
48V98.4Very high97.6Very high19 Ų1959 Ų5912%0.11531%0.312CS..  trans-140.3132.2173.5-172.10000108.4L24 T25 F45 L51 I99 L101L24-V48 HydrophobicContact CB-CG1 3.78Å; L24-V48 CarbonylContact O-C 3.58Å; L24-V48 WeakPolarHBondContact O-CA 3.33Å; L24-V48 VanDerWaalsContact O-CG1 3.31Å; L24-V48 WeakPolarHBondContact O-CG1 3.49Å; T25-V48 HydrophobicContact CG2-CG2 4.24Å; F45-V48 HydrophobicContact CB-CG2 3.69Å; F45-V48 HydrophobicContact CD2-CG2 4.39Å; F45-V48 HydrophobicContact CG-CG2 4.2Å; V48-L51 HydrophobicContact CB-CD1 3.71Å; V48-L51 HydrophobicContact CB-CG 4.44Å; V48-L51 HydrophobicContact CG1-CD1 3.55Å; V48-L51 HydrophobicContact CG1-CD2 4.17Å; V48-L51 HydrophobicContact CG1-CG 3.85Å; V48-I99 HydrophobicContact CB-CB 4.4Å; V48-I99 HydrophobicContact CB-CD1 4.4Å; V48-I99 HydrophobicContact CB-CG1 4.4Å; V48-I99 HydrophobicContact CB-CG2 4.34Å; V48-I99 HydrophobicContact CG2-CB 3.74Å; V48-I99 HydrophobicContact CG2-CD1 4.21Å; V48-I99 HydrophobicContact CG2-CG1 4.21Å; V48-I99 HydrophobicContact CG2-CG2 3.87Å; V48-L101 HydrophobicContact CG1-CD1 3.95Å; V48-L101 HydrophobicContact CG2-CD1 4.09Å; V48-L101 HydrophobicContact CG2-CG 4.45Å
49V98.3Very high97.8Very high18 Ų1857.5 Ų57.511%0.10929%0.285CS..  trans-103.4170.5179.1-61.90000111.1D7 I9 L24 L51D7-V49 HydrophobicContact CB-CB 4.09Å; D7-V49 HydrophobicContact CB-CG1 4.29Å; D7-V49 HydrophobicContact CB-CG2 4.29Å; I9-V49 HydrophobicContact CB-CG2 4.44Å; L24-V49 VanDerWaalsContact O-CG2 3.28Å; L24-V49 WeakPolarHBondContact O-CG2 3.38Å; L24-V49 PolarHBondContact O-N 3.17Å; V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 PolarHBondContact O-N 2.98Å
50N98.3Very high97.8Very high7 Ų759.6 Ų59.64%0.03730%0.297CS..SBendtrans59.136.9176.2-55.2-39.9000114.2L6 D7 T22 I23 L24 K74L6-N50 VanDerWaalsContact CA-OD1 3.27Å; L6-N50 WeakPolarHBondContact CA-OD1 3.42Å; L6-N50 HydrophobicContact CD2-CB 4.11Å; D7-N50 PolarHBondContact N-OD1 2.89Å; D7-N50 PolarHBondContact O-ND2 3.04Å; T22-N50 HydrophobicContact CG2-CB 3.78Å; I23-N50 PolarHBondContact O-ND2 3Å; L24-N50 HydrophobicContact CD2-CB 4.41Å; N50-K74 WeakPolarHBondContact O-CB 3.39Å; N50-K74 PolarHBondContact O-N 2.87Å
51L98.3Very high97.7Very high23 Ų2360.1 Ų60.112%0.1229%0.292CS..EExtended strand (participates in β ladder)trans-105.3153.2174-62.3177.5000111.8L24 V48 V49 V71 S72 L80 I99L24-L51 HydrophobicContact CD2-CD2 4.05Å; V48-L51 HydrophobicContact CB-CD1 3.71Å; V48-L51 HydrophobicContact CB-CG 4.44Å; V48-L51 HydrophobicContact CG1-CD1 3.55Å; V48-L51 HydrophobicContact CG1-CD2 4.17Å; V48-L51 HydrophobicContact CG1-CG 3.85Å; V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 PolarHBondContact O-N 2.98Å; L51-V71 HydrophobicContact CB-CB 4.43Å; L51-V71 HydrophobicContact CD1-CB 3.94Å; L51-V71 HydrophobicContact CD1-CG1 4.12Å; L51-V71 HydrophobicContact CD1-CG2 4.02Å; L51-V71 HydrophobicContact CD2-CB 4.22Å; L51-V71 HydrophobicContact CD2-CG2 4.24Å; L51-V71 HydrophobicContact CG-CB 4.43Å; L51-S72 CarbonylContact C-O 3.59Å; L51-S72 VanDerWaalsContact CA-O 3.3Å; L51-S72 WeakPolarHBondContact CA-O 3.16Å; L51-L80 HydrophobicContact CD2-CD1 3.68Å; L51-I99 HydrophobicContact CD1-CG2 4.11Å
52Q98.1Very high97.4Very high80 Ų8060.6 Ų60.637%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-108.4145.5157.5-68.5169.320.900108.2V71 S72 K74 N77Q52-V71 VanDerWaalsContact O-CA 3.32Å; Q52-V71 WeakPolarHBondContact O-CA 3.34Å; Q52-S72 PolarHBondContact N-O 2.77Å; Q52-S72 PolarHBondContact O-N 2.87Å; Q52-K74 HydrophobicContact CG-CB 4.29Å; Q52-K74 HydrophobicContact CG-CG 4.34Å; Q52-K74 PolarHBondContact NE2-O 2.94Å; Q52-N77 PolarHBondContact NE2-OD1 2.97Å; Q52-N77 PolarHBondContact OE1-OD1 2.78Å
53H98.3Very high97.1Very high93 Ų9363.2 Ų63.243%0.43132%0.323SS..EExtended strand (participates in β ladder)trans-111.8136.1-179.4-64.6-98.1000110.3R69 V71H53-R69 HydrophobicContact CB-CB 4.41Å; H53-V71 WeakPolarHBondContact ND1-CG1 3.5Å
54S98.4Very high96.9Very high39 Ų3963.2 Ų63.227%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-72.2177.2170.673.70000111.9R69 D70S54-R69 WeakPolarHBondContact O-CD 3.28Å; S54-R69 WeakPolarHBondContact O-CG 3.45Å; S54-R69 PolarHBondContact O-NH1 2.67Å; S54-D70 PolarHBondContact N-O 2.83Å; S54-D70 PolarHBondContact OG-N 2.91Å
55E98.1Very high96.8Very high165 Ų16569.7 Ų69.777%0.77135%0.354SS*.EExtended strand (participates in β ladder)trans-58.1157.7160.8-63.2-171.8162.800111.5
56V98.1Very high96.8Very high55 Ų5569.8 Ų69.833%0.33335%0.354SS..EExtended strand (participates in β ladder)trans-69.5135.8177.8-172.40000109.5M67 V68 R69 E85V56-M67 HydrophobicContact CG1-CB 3.76Å; V56-M67 HydrophobicContact CG1-CE 3.6Å; V56-M67 HydrophobicContact CG1-CG 4.47Å; V56-V68 CarbonylContact C-O 3.6Å; V56-V68 WeakPolarHBondContact CA-O 3.27Å; V56-R69 HydrophobicContact CG2-CG 4.12Å; V56-E85 HydrophobicContact CG2-CG 4.42Å
57Q97.6Very high96.8Very high83 Ų8370.6 Ų70.639%0.38836%0.357SS..EExtended strand (participates in β ladder)trans-123.5140.3176.7-62.7-175.7-4.200110M67 V68Q57-M67 CarbonylContact O-C 3.6Å; Q57-M67 WeakPolarHBondContact O-CA 3.31Å; Q57-V68 HydrophobicContact CB-CG2 4.42Å; Q57-V68 PolarHBondContact N-O 2.85Å; Q57-V68 PolarHBondContact O-N 3.09Å
58D97.3Very high96.8Very high82 Ų8265.4 Ų65.444%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-81.1129.6168.5-176.4-123.3000109.9R65D58-R65 VanDerWaalsContact CG-NH2 3.28Å; D58-R65 IonicContact OD1-CZ 3.84Å; D58-R65 VanDerWaalsContact OD1-CZ 3.27Å; D58-R65 IonicContact OD1-NE 2.86Å; D58-R65 PolarHBondContact OD1-NE 2.96Å; D58-R65 IonicContact OD1-NH2 3.12Å; D58-R65 PolarHBondContact OD1-NH2 2.75Å; D58-R65 WeakPolarHBondContact OD2-CG 3.25Å; D58-R65 IonicContact OD2-CZ 3.85Å; D58-R65 IonicContact OD2-NE 3.79Å; D58-R65 PolarHBondContact OD2-NE 3.16Å; D58-R65 IonicContact OD2-NH2 3.77Å; D58-R65 PolarHBondContact OD2-NH2 2.84Å
59R96.7Very high96.8Very high67 Ų6767.9 Ų67.925%0.25334%0.342SS..EExtended strand (participates in β ladder)trans-139.2123.9-178-163173.7-67.3169.24.7110.9M61 H66 V68 D70R59-M61 HydrophobicContact CB-CE 4.31Å; R59-M61 HydrophobicContact CG-CE 4.09Å; R59-M61 HydrophobicContact CG-CG 4.37Å; R59-H66 PolarHBondContact N-O 2.84Å; R59-H66 PolarHBondContact O-N 2.68Å; R59-V68 HydrophobicContact CB-CG2 3.98Å; R59-D70 IonicContact CZ-OD1 3.64Å; R59-D70 IonicContact NH1-OD1 3.83Å; R59-D70 IonicContact NH2-OD1 3.46Å; R59-D70 PolarHBondContact NH2-OD1 3.07Å; R59-D70 IonicContact NH2-OD2 3.47Å
60V95.4Very high96.8Very high115 Ų11568.3 Ų68.370%0.69734%0.343SS*.EExtended strand (participates in β ladder)trans-85.5125.4171-1780000108.7
61M92.7Very high96.9Very high41 Ų4168 Ų6820%0.20234%0.342CS..EExtended strand (participates in β ladder)trans-124173.9178.1-58.7-175.9-175.700109.8R59 T63 G64 V68 Y84R59-M61 HydrophobicContact CB-CE 4.31Å; R59-M61 HydrophobicContact CG-CE 4.09Å; R59-M61 HydrophobicContact CG-CG 4.37Å; M61-T63 PolarHBondContact O-N 3.43Å; M61-T63 VanDerWaalsContact O-N 3.13Å; M61-G64 PolarHBondContact N-O 2.94Å; M61-G64 PolarHBondContact O-N 2.88Å; M61-V68 HydrophobicContact CE-CG1 3.91Å; M61-Y84 HydrophobicContact CE-CE1 3.88Å; M61-Y84 HydrophobicContact SD-CE1 3.81Å
62L90.8Very high96.9Very high188 Ų18868.1 Ų68.198%0.98435%0.345SS*.THydrogen-bonded Turntrans-54.9-32.6177.2-67.4173.9000113.3G64L62-G64 VanDerWaalsContact C-N 3.32Å
63T92.4Very high96.9Very high55 Ų5564.3 Ų64.334%0.33733%0.327SS..THydrogen-bonded Turntrans-93.817.1-17963.80000113.3M61 H66 Q92 K95M61-T63 PolarHBondContact O-N 3.43Å; M61-T63 VanDerWaalsContact O-N 3.13Å; T63-H66 PolarHBondContact OG1-CE1 3.27Å; T63-Q92 PolarHBondContact OG1-OE1 3.21Å; T63-K95 PolarHBondContact OG1-NZ 2.83Å
64G95Very high96.9Very high22 Ų2263.5 Ų63.523%0.22732%0.322CS..EExtended strand (participates in β ladder)trans105.3-166.8179.500000114.4M61 L62 H66M61-G64 PolarHBondContact N-O 2.94Å; M61-G64 PolarHBondContact O-N 2.88Å; L62-G64 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-CE1 2.93Å; G64-H66 VanDerWaalsContact O-CE1 3.27Å; G64-H66 PolarHBondContact O-ND1 3.23Å
65R96.7Very high96.8Very high137 Ų13764.8 Ų64.852%0.51733%0.326SS..EExtended strand (participates in β ladder)trans-85.1133.8-174.9-166.3176.2-172.6177.94.2111.3D58 T88D58-R65 VanDerWaalsContact CG-NH2 3.28Å; D58-R65 IonicContact OD1-CZ 3.84Å; D58-R65 VanDerWaalsContact OD1-CZ 3.27Å; D58-R65 IonicContact OD1-NE 2.86Å; D58-R65 PolarHBondContact OD1-NE 2.96Å; D58-R65 IonicContact OD1-NH2 3.12Å; D58-R65 PolarHBondContact OD1-NH2 2.75Å; D58-R65 WeakPolarHBondContact OD2-CG 3.25Å; D58-R65 IonicContact OD2-CZ 3.85Å; D58-R65 IonicContact OD2-NE 3.79Å; D58-R65 PolarHBondContact OD2-NE 3.16Å; D58-R65 IonicContact OD2-NH2 3.77Å; D58-R65 PolarHBondContact OD2-NH2 2.84Å; R65-T88 PolarHBondContact O-N 2.93Å; R65-T88 PolarHBondContact O-OG1 3.36Å
66H98.1Very high96.8Very high1 Ų158.6 Ų58.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-135.6145.7-178.8-58.672.4000110.4R59 T63 G64 V68 Y84 F86R59-H66 PolarHBondContact N-O 2.84Å; R59-H66 PolarHBondContact O-N 2.68Å; T63-H66 PolarHBondContact OG1-CE1 3.27Å; G64-H66 PolarHBondContact O-CE1 2.93Å; G64-H66 VanDerWaalsContact O-CE1 3.27Å; G64-H66 PolarHBondContact O-ND1 3.23Å; H66-V68 HydrophobicContact CB-CG1 4.03Å; H66-Y84 HydrophobicContact CB-CD1 4.15Å; H66-Y84 HydrophobicContact CB-CE1 4.35Å; H66-Y84 AromaticContact CD2-CD1 3.61Å; H66-Y84 AromaticContact CD2-CE1 3.65Å; H66-F86 CarbonylContact C-O 3.46Å; H66-F86 WeakPolarHBondContact CA-O 3.18Å
67M98.3Very high96.8Very high84 Ų8460.8 Ų60.841%0.41431%0.31SS..EExtended strand (participates in β ladder)trans-94.3126.4163.3-61.117969.200108.1V56 Q57 E85 F86V56-M67 HydrophobicContact CG1-CB 3.76Å; V56-M67 HydrophobicContact CG1-CE 3.6Å; V56-M67 HydrophobicContact CG1-CG 4.47Å; Q57-M67 CarbonylContact O-C 3.6Å; Q57-M67 WeakPolarHBondContact O-CA 3.31Å; M67-E85 HydrophobicContact CB-CB 4.3Å; M67-E85 PolarHBondContact O-N 3.48Å; M67-F86 HydrophobicContact CB-CB 4.09Å; M67-F86 HydrophobicContact CG-CB 4.37Å; M67-F86 PolarHBondContact N-O 2.89Å; M67-F86 PolarHBondContact O-N 3.39Å; M67-F86 HydrophobicContact SD-CB 4.29Å; M67-F86 HydrophobicContact SD-CD1 4.42Å
68V98.3Very high96.8Very high0 Ų058.5 Ų58.50%030%0.303CS..EExtended strand (participates in β ladder)trans-133.5157.7-174.3-590000111.6V56 Q57 R59 M61 H66 M83 Y84V56-V68 CarbonylContact C-O 3.6Å; V56-V68 WeakPolarHBondContact CA-O 3.27Å; Q57-V68 HydrophobicContact CB-CG2 4.42Å; Q57-V68 PolarHBondContact N-O 2.85Å; Q57-V68 PolarHBondContact O-N 3.09Å; R59-V68 HydrophobicContact CB-CG2 3.98Å; M61-V68 HydrophobicContact CE-CG1 3.91Å; H66-V68 HydrophobicContact CB-CG1 4.03Å; V68-M83 CarbonylContact C-O 3.51Å; V68-M83 WeakPolarHBondContact CA-O 3.3Å; V68-M83 WeakPolarHBondContact CB-O 3.36Å; V68-Y84 HydrophobicContact CG1-CD1 3.86Å; V68-Y84 HydrophobicContact CG1-CE1 4.24Å
69R98.6Very high96.9Very high70 Ų7059.8 Ų59.826%0.26431%0.305SS..EExtended strand (participates in β ladder)trans-119.8128.6166.8-65.9-177.5-175.8-985.7109.1H53 S54 V56 W82 M83 E85H53-R69 HydrophobicContact CB-CB 4.41Å; S54-R69 WeakPolarHBondContact O-CD 3.28Å; S54-R69 WeakPolarHBondContact O-CG 3.45Å; S54-R69 PolarHBondContact O-NH1 2.67Å; V56-R69 HydrophobicContact CG2-CG 4.12Å; R69-W82 CarbonylContact O-C 3.53Å; R69-W82 WeakPolarHBondContact O-CA 3.43Å; R69-W82 VanDerWaalsContact O-CB 3.3Å; R69-W82 WeakPolarHBondContact O-CB 3.29Å; R69-M83 PolarHBondContact N-O 3.36Å; R69-M83 PolarHBondContact O-N 2.88Å; R69-E85 WeakPolarHBondContact CD-OE1 3.4Å; R69-E85 HydrophobicContact CG-CG 3.99Å; R69-E85 IonicContact CZ-OE1 2.97Å; R69-E85 IonicContact NE-OE1 2.83Å; R69-E85 PolarHBondContact NE-OE1 3.01Å; R69-E85 IonicContact NH2-OE1 3.71Å
70D98.4Very high97Very high27 Ų2756.7 Ų56.714%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-64143168.7-74.6-18.3000108.9S54 R59 K79 G81S54-D70 PolarHBondContact N-O 2.83Å; S54-D70 PolarHBondContact OG-N 2.91Å; R59-D70 IonicContact CZ-OD1 3.64Å; R59-D70 IonicContact NH1-OD1 3.83Å; R59-D70 IonicContact NH2-OD1 3.46Å; R59-D70 PolarHBondContact NH2-OD1 3.07Å; R59-D70 IonicContact NH2-OD2 3.47Å; D70-K79 VanDerWaalsContact CG-CE 3.45Å; D70-K79 IonicContact OD1-NZ 3.6Å; D70-K79 PolarHBondContact OD1-NZ 2.75Å; D70-K79 VanDerWaalsContact OD2-CE 3.29Å; D70-K79 WeakPolarHBondContact OD2-CE 3.39Å; D70-K79 IonicContact OD2-NZ 3.61Å; D70-K79 PolarHBondContact OD2-NZ 2.82Å; D70-G81 WeakPolarHBondContact CA-O 3.34Å
71V98.6Very high97.1Very high1 Ų151.2 Ų51.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-117.4136.2177.8-580000111L51 Q52 H53 L80 G81 M83 I99 L101L51-V71 HydrophobicContact CB-CB 4.43Å; L51-V71 HydrophobicContact CD1-CB 3.94Å; L51-V71 HydrophobicContact CD1-CG1 4.12Å; L51-V71 HydrophobicContact CD1-CG2 4.02Å; L51-V71 HydrophobicContact CD2-CB 4.22Å; L51-V71 HydrophobicContact CD2-CG2 4.24Å; L51-V71 HydrophobicContact CG-CB 4.43Å; Q52-V71 VanDerWaalsContact O-CA 3.32Å; Q52-V71 WeakPolarHBondContact O-CA 3.34Å; H53-V71 WeakPolarHBondContact ND1-CG1 3.5Å; V71-L80 PolarHBondContact O-N 2.78Å; V71-G81 PolarHBondContact N-O 2.86Å; V71-G81 PolarHBondContact O-N 3.32Å; V71-M83 HydrophobicContact CG1-CB 4.13Å; V71-I99 HydrophobicContact CG2-CG2 4.08Å; V71-L101 HydrophobicContact CG2-CD2 4.18Å
72S98.7Very high97.4Very high26 Ų2650 Ų5018%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-125.9156.8177.656.80000111.1L51 Q52 K74 S78L51-S72 CarbonylContact C-O 3.59Å; L51-S72 VanDerWaalsContact CA-O 3.3Å; L51-S72 WeakPolarHBondContact CA-O 3.16Å; Q52-S72 PolarHBondContact N-O 2.77Å; Q52-S72 PolarHBondContact O-N 2.87Å; S72-K74 PolarHBondContact O-N 3.32Å; S72-S78 CarbonylContact C-O 3.51Å; S72-S78 WeakPolarHBondContact CA-O 3.31Å; S72-S78 WeakPolarHBondContact CB-O 3.25Å
73C98.6Very high97.8Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-64.9127.2176.9-177.30000110.3C17 C20 N75 N77 S78 L80C17-C73 HydrophobicContact CB-CB 4.36Å; C20-C73 VanDerWaalsContact SG-SG 3.61Å; C73-N75 PolarHBondContact O-N 3.48Å; C73-N75 VanDerWaalsContact O-N 3.14Å; C73-N75 PolarHBondContact SG-N 2.84Å; C73-N77 WeakPolarHBondContact O-CA 3.39Å; C73-N77 PolarHBondContact O-N 2.75Å; C73-S78 PolarHBondContact N-O 2.91Å; C73-L80 HydrophobicContact CB-CD1 3.89Å; C73-L80 HydrophobicContact CB-CG 4.47Å
74K97.8Very high98Very high75 Ų7539.7 Ų39.733%0.32620%0.196SC..THydrogen-bonded Turntrans-59.7-25.5177.8-174.1-178.1-179.7-171.20113.8I4 F5 L6 N50 Q52 S72I4-K74 HydrophobicContact CG2-CG 4.43Å; F5-K74 PolarHBondContact O-NZ 2.83Å; L6-K74 HydrophobicContact CD2-CD 4.46Å; N50-K74 WeakPolarHBondContact O-CB 3.39Å; N50-K74 PolarHBondContact O-N 2.87Å; Q52-K74 HydrophobicContact CG-CB 4.29Å; Q52-K74 HydrophobicContact CG-CG 4.34Å; Q52-K74 PolarHBondContact NE2-O 2.94Å; S72-K74 PolarHBondContact O-N 3.32Å
75N97.4Very high98.2Very high67 Ų6742.2 Ų42.236%0.35820%0.202SC..THydrogen-bonded Turntrans-88-46.2-176.5-171.445.7000113.2T22 C73T22-N75 HydrophobicContact CG2-CB 4.43Å; T22-N75 WeakPolarHBondContact OG1-CB 3.47Å; T22-N75 PolarHBondContact OG1-ND2 3.21Å; C73-N75 PolarHBondContact O-N 3.48Å; C73-N75 VanDerWaalsContact O-N 3.14Å; C73-N75 PolarHBondContact SG-N 2.84Å
76C97.4Very high98.2Very high35 Ų3540.2 Ų40.224%0.23620%0.198CC..THydrogen-bonded Turntrans-117.70.2-173.271.30000114.9N19 C20 S78N19-C76 PolarHBondContact ND2-SG 2.76Å; C20-C76 HydrophobicContact CB-CB 3.85Å; C20-C76 PolarHBondContact SG-SG 2.98Å; C76-S78 PolarHBondContact O-N 3.29Å; C76-S78 PolarHBondContact SG-OG 2.78Å; C76-S78 VanDerWaalsContact SG-OG 3.33Å
77N97.9Very high98.2Very high101 Ų10140.2 Ų40.254%0.5420%0.198SC..  trans61.38-179.1-52.1-47.3000115.7Q52 C73 K79Q52-N77 PolarHBondContact NE2-OD1 2.97Å; Q52-N77 PolarHBondContact OE1-OD1 2.78Å; C73-N77 WeakPolarHBondContact O-CA 3.39Å; C73-N77 PolarHBondContact O-N 2.75Å; N77-K79 PolarHBondContact O-N 2.76Å
78S98.2Very high98.1Very high34 Ų3440 Ų4024%0.23820%0.202CC..  trans-60.7131.3172.2-62.30000110.4N19 S72 C73 C76N19-S78 WeakPolarHBondContact CB-OG 3.49Å; N19-S78 PolarHBondContact ND2-OG 3.36Å; S72-S78 CarbonylContact C-O 3.51Å; S72-S78 WeakPolarHBondContact CA-O 3.31Å; S72-S78 WeakPolarHBondContact CB-O 3.25Å; C73-S78 PolarHBondContact N-O 2.91Å; C76-S78 PolarHBondContact O-N 3.29Å; C76-S78 PolarHBondContact SG-OG 2.78Å; C76-S78 VanDerWaalsContact SG-OG 3.33Å
79K98.3Very high98Very high110 Ų11044.6 Ų44.648%0.47822%0.223SC..EExtended strand (participates in β ladder)trans-62.8138.1171.7-173.7174.5-174.5168.20109.5D70 N77 L105D70-K79 VanDerWaalsContact CG-CE 3.45Å; D70-K79 IonicContact OD1-NZ 3.6Å; D70-K79 PolarHBondContact OD1-NZ 2.75Å; D70-K79 VanDerWaalsContact OD2-CE 3.29Å; D70-K79 WeakPolarHBondContact OD2-CE 3.39Å; D70-K79 IonicContact OD2-NZ 3.61Å; D70-K79 PolarHBondContact OD2-NZ 2.82Å; N77-K79 PolarHBondContact O-N 2.76Å; K79-L105 WeakPolarHBondContact O-CD1 3.39Å
80L98.6Very high97.9Very high1 Ų148.8 Ų48.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-123.6-27.4-176.7-62.3170.1000113.1C17 L24 L51 V71 C73 L101 E102 L105 V106C17-L80 HydrophobicContact CB-CD2 4.42Å; L24-L80 HydrophobicContact CD1-CD1 3.55Å; L24-L80 HydrophobicContact CD1-CD2 4.39Å; L24-L80 HydrophobicContact CD2-CD1 3.9Å; L24-L80 HydrophobicContact CG-CD1 4.38Å; L51-L80 HydrophobicContact CD2-CD1 3.68Å; V71-L80 PolarHBondContact O-N 2.78Å; C73-L80 HydrophobicContact CB-CD1 3.89Å; C73-L80 HydrophobicContact CB-CG 4.47Å; L80-L101 HydrophobicContact CB-CD2 3.88Å; L80-E102 PolarHBondContact O-N 2.85Å; L80-L105 HydrophobicContact CD2-CB 4.16Å; L80-L105 WeakPolarHBondContact CD2-O 3.21Å; L80-V106 HydrophobicContact CD2-CG1 4.49Å
81G98.4Very high97.8Very high0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans164.9-138179.500000111.5D70 V71 I100D70-G81 WeakPolarHBondContact CA-O 3.34Å; V71-G81 PolarHBondContact N-O 2.86Å; V71-G81 PolarHBondContact O-N 3.32Å; G81-I100 VanDerWaalsContact CA-O 3.29Å; G81-I100 WeakPolarHBondContact CA-O 3.29Å
82W98.6Very high97.8Very high16 Ų1652.7 Ų52.76%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-151.5161.2179.665.791.7000112.8R69 Y84 I100 E102R69-W82 CarbonylContact O-C 3.53Å; R69-W82 WeakPolarHBondContact O-CA 3.43Å; R69-W82 VanDerWaalsContact O-CB 3.3Å; R69-W82 WeakPolarHBondContact O-CB 3.29Å; W82-Y84 AromaticContact NE1-CE1 3.84Å; W82-Y84 AromaticContact NE1-CE2 3.59Å; W82-Y84 AromaticContact NE1-CZ 3.35Å; W82-Y84 PolarHBondContact NE1-OH 2.82Å; W82-I100 HydrophobicContact CD2-CB 3.91Å; W82-I100 HydrophobicContact CD2-CG1 4.38Å; W82-I100 HydrophobicContact CD2-CG2 4.17Å; W82-I100 HydrophobicContact CE3-CB 4.23Å; W82-I100 HydrophobicContact CE3-CG2 4.03Å; W82-I100 HydrophobicContact CG-CB 4.43Å; W82-I100 HydrophobicContact CH2-CB 4.18Å; W82-I100 HydrophobicContact CH2-CG1 4.44Å; W82-I100 HydrophobicContact CH2-CG2 3.51Å; W82-I100 HydrophobicContact CZ2-CB 3.85Å; W82-I100 HydrophobicContact CZ2-CG1 3.71Å; W82-I100 HydrophobicContact CZ2-CG2 3.67Å; W82-I100 HydrophobicContact CZ3-CB 4.36Å; W82-I100 HydrophobicContact CZ3-CG2 3.69Å; W82-I100 PolarHBondContact N-O 3.5Å; W82-I100 VanDerWaalsContact N-O 3.07Å; W82-I100 PolarHBondContact O-N 2.82Å; W82-E102 HydrophobicContact CZ3-CG 4.37Å
83M98.6Very high97.7Very high21 Ų2157.9 Ų57.910%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-111.7142.8171.5179.6-93-80.100109.8V68 R69 V71 E85 R98 I99V68-M83 CarbonylContact C-O 3.51Å; V68-M83 WeakPolarHBondContact CA-O 3.3Å; V68-M83 WeakPolarHBondContact CB-O 3.36Å; R69-M83 PolarHBondContact N-O 3.36Å; R69-M83 PolarHBondContact O-N 2.88Å; V71-M83 HydrophobicContact CG1-CB 4.13Å; M83-E85 HydrophobicContact CE-CG 4.1Å; M83-E85 WeakPolarHBondContact CE-OE1 3.17Å; M83-E85 HydrophobicContact SD-CG 3.97Å; M83-R98 WeakPolarHBondContact CA-O 3.31Å; M83-I99 HydrophobicContact CB-CG1 4.07Å; M83-I99 HydrophobicContact CG-CG1 4.03Å
84Y98.4Very high97.6Very high5 Ų564 Ų642%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-87.7115.4174.1-66.6-85.6000110.4L44 M61 H66 V68 W82 K95 E96 G97 R98 I100L44-Y84 HydrophobicContact CD1-CE2 4.28Å; M61-Y84 HydrophobicContact CE-CE1 3.88Å; M61-Y84 HydrophobicContact SD-CE1 3.81Å; H66-Y84 HydrophobicContact CB-CD1 4.15Å; H66-Y84 HydrophobicContact CB-CE1 4.35Å; H66-Y84 AromaticContact CD2-CD1 3.61Å; H66-Y84 AromaticContact CD2-CE1 3.65Å; V68-Y84 HydrophobicContact CG1-CD1 3.86Å; V68-Y84 HydrophobicContact CG1-CE1 4.24Å; W82-Y84 AromaticContact NE1-CE1 3.84Å; W82-Y84 AromaticContact NE1-CE2 3.59Å; W82-Y84 AromaticContact NE1-CZ 3.35Å; W82-Y84 PolarHBondContact NE1-OH 2.82Å; Y84-K95 VanDerWaalsContact CB-O 3.28Å; Y84-K95 WeakPolarHBondContact CB-O 3.33Å; Y84-K95 HydrophobicContact CD1-CB 4.32Å; Y84-K95 HydrophobicContact CD2-CB 3.77Å; Y84-K95 HydrophobicContact CE1-CD 4.15Å; Y84-K95 HydrophobicContact CE2-CB 4.16Å; Y84-K95 HydrophobicContact CE2-CD 4.16Å; Y84-K95 HydrophobicContact CE2-CG 4.44Å; Y84-K95 HydrophobicContact CG-CB 3.86Å; Y84-E96 CarbonylContact O-C 3.58Å; Y84-E96 WeakPolarHBondContact O-CA 3.37Å; Y84-G97 PolarHBondContact O-N 3.27Å; Y84-R98 PolarHBondContact N-O 2.94Å; Y84-R98 VanDerWaalsContact N-O 3.09Å; Y84-I100 HydrophobicContact CE2-CD1 4.28Å; Y84-I100 HydrophobicContact CE2-CG1 3.65Å
85E98Very high97.6Very high75 Ų7560.8 Ų60.835%0.3530%0.297SS..EExtended strand (participates in β ladder)trans-81.6-46.3174.1-77.6-76.3-166.200111V56 M67 R69 M83V56-E85 HydrophobicContact CG2-CG 4.42Å; M67-E85 HydrophobicContact CB-CB 4.3Å; M67-E85 PolarHBondContact O-N 3.48Å; R69-E85 WeakPolarHBondContact CD-OE1 3.4Å; R69-E85 HydrophobicContact CG-CG 3.99Å; R69-E85 IonicContact CZ-OE1 2.97Å; R69-E85 IonicContact NE-OE1 2.83Å; R69-E85 PolarHBondContact NE-OE1 3.01Å; R69-E85 IonicContact NH2-OE1 3.71Å; M83-E85 HydrophobicContact CE-CG 4.1Å; M83-E85 WeakPolarHBondContact CE-OE1 3.17Å; M83-E85 HydrophobicContact SD-CG 3.97Å
86F97.9Very high97.6Very high96 Ų9659.7 Ų59.742%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-148.9143.1-175.9-178.2-101.5000111.1H66 M67 E96H66-F86 CarbonylContact C-O 3.46Å; H66-F86 WeakPolarHBondContact CA-O 3.18Å; M67-F86 HydrophobicContact CB-CB 4.09Å; M67-F86 HydrophobicContact CG-CB 4.37Å; M67-F86 PolarHBondContact N-O 2.89Å; M67-F86 PolarHBondContact O-N 3.39Å; M67-F86 HydrophobicContact SD-CB 4.29Å; M67-F86 HydrophobicContact SD-CD1 4.42Å; F86-E96 WeakPolarHBondContact CD2-OE1 3.34Å
87A97.6Very high97.7Very high1 Ų159.9 Ų59.91%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-120.4129.2170.900000110.1Q92 E96A87-Q92 HydrophobicContact CB-CB 3.82Å; A87-E96 HydrophobicContact CB-CG 4.42Å; A87-E96 PolarHBondContact N-OE1 2.84Å
88T96.4Very high97.7Very high80 Ų8058.9 Ų58.949%0.49129%0.287SS..SBendtrans-67-39179.1-56.70000112.1R65R65-T88 PolarHBondContact O-N 2.93Å; R65-T88 PolarHBondContact O-OG1 3.36Å
89E96.3Very high97.7Very high95 Ų9557.9 Ų57.944%0.44428%0.279SS..SBendtrans-81.9126.2-178.5-58.6-57.4137.700110.7S91 Q92E89-S91 PolarHBondContact O-N 2.93Å; E89-Q92 HydrophobicContact CB-CB 4.31Å; E89-Q92 HydrophobicContact CB-CG 3.86Å; E89-Q92 WeakPolarHBondContact O-CB 3.45Å; E89-Q92 PolarHBondContact O-N 3.16Å
90E95.8Very high97.7Very high159 Ų15952.7 Ų52.774%0.74326%0.256SS*.G310 helixtrans-56.6-39.1-178.3-173176-172.800112.3Q92 R93E90-Q92 PolarHBondContact O-N 2.73Å; E90-R93 WeakPolarHBondContact O-CB 3.31Å; E90-R93 PolarHBondContact O-N 2.78Å; E90-R93 VanDerWaalsContact O-N 3.14Å
91S96.8Very high97.7Very high83 Ų8352.6 Ų52.658%0.5826%0.256SS*.G310 helixtrans-60.8-15.5176.768.50000114.2E89 Y94E89-S91 PolarHBondContact O-N 2.93Å; S91-Y94 WeakPolarHBondContact O-CD1 3.27Å; S91-Y94 WeakPolarHBondContact O-CE1 3.5Å
92Q97.4Very high97.7Very high26 Ų2653 Ų5312%0.12126%0.258CS..G310 helixtrans-105.7-5.1-177.9-55.4-52.9-54.700113.3T63 A87 E89 E90 Y94 K95T63-Q92 PolarHBondContact OG1-OE1 3.21Å; A87-Q92 HydrophobicContact CB-CB 3.82Å; E89-Q92 HydrophobicContact CB-CB 4.31Å; E89-Q92 HydrophobicContact CB-CG 3.86Å; E89-Q92 WeakPolarHBondContact O-CB 3.45Å; E89-Q92 PolarHBondContact O-N 3.16Å; E90-Q92 PolarHBondContact O-N 2.73Å; Q92-Y94 PolarHBondContact O-N 3.19Å; Q92-Y94 VanDerWaalsContact O-N 3.1Å; Q92-K95 WeakPolarHBondContact O-CB 3.49Å; Q92-K95 WeakPolarHBondContact O-CG 3.47Å; Q92-K95 PolarHBondContact O-N 2.83Å
93R96.9Very high97.7Very high136 Ų13658.6 Ų58.651%0.51328%0.279SS..G310 helixtrans-61.2-21.7-177.6-70-178.365.8-160.9-1114.3E90 K95 E96E90-R93 WeakPolarHBondContact O-CB 3.31Å; E90-R93 PolarHBondContact O-N 2.78Å; E90-R93 VanDerWaalsContact O-N 3.14Å; R93-K95 PolarHBondContact O-N 3.46Å; R93-E96 IonicContact NE-OE2 3.67Å; R93-E96 WeakPolarHBondContact O-CB 3.28Å; R93-E96 WeakPolarHBondContact O-CG 3.43Å; R93-E96 PolarHBondContact O-N 2.53Å
94Y96.7Very high97.7Very high128 Ų12860.3 Ų60.350%0.50230%0.296SS..G310 helixtrans-59.7-18.1173.177.6-91000113.5L44 S91 Q92 R98L44-Y94 HydrophobicContact CD2-CE2 4.26Å; S91-Y94 WeakPolarHBondContact O-CD1 3.27Å; S91-Y94 WeakPolarHBondContact O-CE1 3.5Å; Q92-Y94 PolarHBondContact O-N 3.19Å; Q92-Y94 VanDerWaalsContact O-N 3.1Å; Y94-R98 WeakPolarHBondContact O-CG 3.16Å
95K97.7Very high97.7Very high7 Ų762.5 Ų62.53%0.0331%0.308CS..G310 helixtrans-81.3-20.5176-62.3174.3-179.1171.30112.7F35 T63 Y84 Q92 R93 G97 R98F35-K95 HydrophobicContact CE1-CD 4.37Å; T63-K95 PolarHBondContact OG1-NZ 2.83Å; Y84-K95 VanDerWaalsContact CB-O 3.28Å; Y84-K95 WeakPolarHBondContact CB-O 3.33Å; Y84-K95 HydrophobicContact CD1-CB 4.32Å; Y84-K95 HydrophobicContact CD2-CB 3.77Å; Y84-K95 HydrophobicContact CE1-CD 4.15Å; Y84-K95 HydrophobicContact CE2-CB 4.16Å; Y84-K95 HydrophobicContact CE2-CD 4.16Å; Y84-K95 HydrophobicContact CE2-CG 4.44Å; Y84-K95 HydrophobicContact CG-CB 3.86Å; Q92-K95 WeakPolarHBondContact O-CB 3.49Å; Q92-K95 WeakPolarHBondContact O-CG 3.47Å; Q92-K95 PolarHBondContact O-N 2.83Å; R93-K95 PolarHBondContact O-N 3.46Å; K95-G97 PolarHBondContact O-N 3.27Å; K95-R98 WeakPolarHBondContact O-CA 3.48Å; K95-R98 WeakPolarHBondContact O-CB 3.45Å; K95-R98 VanDerWaalsContact O-CG 3.22Å; K95-R98 WeakPolarHBondContact O-CG 3.44Å; K95-R98 PolarHBondContact O-N 3.25Å
96E98.1Very high97.7Very high45 Ų4559.6 Ų59.621%0.2130%0.296CS..THydrogen-bonded Turntrans-58.3133.1-177.4-64.7177.6165.900110.9Y84 F86 A87 R93 R98Y84-E96 CarbonylContact O-C 3.58Å; Y84-E96 WeakPolarHBondContact O-CA 3.37Å; F86-E96 WeakPolarHBondContact CD2-OE1 3.34Å; A87-E96 HydrophobicContact CB-CG 4.42Å; A87-E96 PolarHBondContact N-OE1 2.84Å; R93-E96 IonicContact NE-OE2 3.67Å; R93-E96 WeakPolarHBondContact O-CB 3.28Å; R93-E96 WeakPolarHBondContact O-CG 3.43Å; R93-E96 PolarHBondContact O-N 2.53Å; E96-R98 PolarHBondContact O-N 2.85Å
97G98.1Very high97.7Very high39 Ų3961.1 Ų61.140%0.40230%0.299SS..THydrogen-bonded Turntrans72.4-2.4-172.500000115.3Y84 K95Y84-G97 PolarHBondContact O-N 3.27Å; K95-G97 PolarHBondContact O-N 3.27Å
98R98.6Very high97.7Very high80 Ų8065.5 Ų65.530%0.30232%0.319SS..  trans-89.1150.1179.7-49.9-55.7179.6-133.90.4111.4I31 L44 F45 N46 M83 Y84 Y94 K95 E96I31-R98 HydrophobicContact CD1-CG 4.05Å; L44-R98 HydrophobicContact CD1-CB 3.55Å; L44-R98 HydrophobicContact CD1-CG 4.48Å; L44-R98 HydrophobicContact CG-CB 4.09Å; F45-R98 WeakPolarHBondContact O-CA 3.12Å; F45-R98 WeakPolarHBondContact O-CB 3.5Å; N46-R98 PolarHBondContact OD1-NH1 2.77Å; M83-R98 WeakPolarHBondContact CA-O 3.31Å; Y84-R98 PolarHBondContact N-O 2.94Å; Y84-R98 VanDerWaalsContact N-O 3.09Å; Y94-R98 WeakPolarHBondContact O-CG 3.16Å; K95-R98 WeakPolarHBondContact O-CA 3.48Å; K95-R98 WeakPolarHBondContact O-CB 3.45Å; K95-R98 VanDerWaalsContact O-CG 3.22Å; K95-R98 WeakPolarHBondContact O-CG 3.44Å; K95-R98 PolarHBondContact O-N 3.25Å; E96-R98 PolarHBondContact O-N 2.85Å
99I98.8Very high97.6Very high13 Ų1364.1 Ų64.17%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-112.3129.1-174.4-58.591.2000109.6L44 F45 V48 L51 V71 M83 L101L44-I99 WeakPolarHBondContact CA-O 3.2Å; F45-I99 PolarHBondContact N-O 3.02Å; F45-I99 PolarHBondContact O-N 3.41Å; V48-I99 HydrophobicContact CB-CB 4.4Å; V48-I99 HydrophobicContact CB-CD1 4.4Å; V48-I99 HydrophobicContact CB-CG1 4.4Å; V48-I99 HydrophobicContact CB-CG2 4.34Å; V48-I99 HydrophobicContact CG2-CB 3.74Å; V48-I99 HydrophobicContact CG2-CD1 4.21Å; V48-I99 HydrophobicContact CG2-CG1 4.21Å; V48-I99 HydrophobicContact CG2-CG2 3.87Å; L51-I99 HydrophobicContact CD1-CG2 4.11Å; V71-I99 HydrophobicContact CG2-CG2 4.08Å; M83-I99 HydrophobicContact CB-CG1 4.07Å; M83-I99 HydrophobicContact CG-CG1 4.03Å; I99-L101 HydrophobicContact CG2-CD2 3.88Å; I99-L101 HydrophobicContact CG2-CG 4.21Å
100I98.6Very high97.5Very high0 Ų065.9 Ų65.90%032%0.321CS..EExtended strand (participates in β ladder)trans-90.2126.4165.3-64.2-70.3000109F35 A42 F43 L44 G81 W82 Y84F35-I100 HydrophobicContact CB-CD1 3.73Å; F35-I100 HydrophobicContact CD1-CD1 3.49Å; F35-I100 VanDerWaalsContact CD1-CD1 3.49Å; F35-I100 HydrophobicContact CD2-CD1 4.29Å; F35-I100 HydrophobicContact CE1-CD1 4.14Å; F35-I100 HydrophobicContact CG-CD1 3.57Å; A42-I100 HydrophobicContact CB-CG2 3.59Å; F43-I100 VanDerWaalsContact O-CA 3.26Å; F43-I100 WeakPolarHBondContact O-CA 3.26Å; L44-I100 HydrophobicContact CB-CD1 3.92Å; L44-I100 HydrophobicContact CD1-CD1 3.53Å; L44-I100 HydrophobicContact CD1-CG1 4.09Å; L44-I100 HydrophobicContact CG-CD1 4.37Å; G81-I100 VanDerWaalsContact CA-O 3.29Å; G81-I100 WeakPolarHBondContact CA-O 3.29Å; W82-I100 HydrophobicContact CD2-CB 3.91Å; W82-I100 HydrophobicContact CD2-CG1 4.38Å; W82-I100 HydrophobicContact CD2-CG2 4.17Å; W82-I100 HydrophobicContact CE3-CB 4.23Å; W82-I100 HydrophobicContact CE3-CG2 4.03Å; W82-I100 HydrophobicContact CG-CB 4.43Å; W82-I100 HydrophobicContact CH2-CB 4.18Å; W82-I100 HydrophobicContact CH2-CG1 4.44Å; W82-I100 HydrophobicContact CH2-CG2 3.51Å; W82-I100 HydrophobicContact CZ2-CB 3.85Å; W82-I100 HydrophobicContact CZ2-CG1 3.71Å; W82-I100 HydrophobicContact CZ2-CG2 3.67Å; W82-I100 HydrophobicContact CZ3-CB 4.36Å; W82-I100 HydrophobicContact CZ3-CG2 3.69Å; W82-I100 PolarHBondContact N-O 3.5Å; W82-I100 VanDerWaalsContact N-O 3.07Å; W82-I100 PolarHBondContact O-N 2.82Å; Y84-I100 HydrophobicContact CE2-CD1 4.28Å; Y84-I100 HydrophobicContact CE2-CG1 3.65Å
101L98.6Very high96.9Very high0 Ų059.1 Ų59.10%029%0.294CS..EExtended strand (participates in β ladder)trans-115.6131.9164.4-56.9178.2000109.2L24 T25 A42 F43 F45 V48 V71 L80 I99 V106L24-L101 HydrophobicContact CB-CD1 4.46Å; L24-L101 HydrophobicContact CD1-CD1 4.28Å; T25-L101 HydrophobicContact CG2-CD1 4.2Å; A42-L101 WeakPolarHBondContact CA-O 3.27Å; F43-L101 PolarHBondContact N-O 2.8Å; F43-L101 PolarHBondContact O-N 3.26Å; F45-L101 HydrophobicContact CD2-CB 4.31Å; F45-L101 HydrophobicContact CD2-CD1 3.96Å; F45-L101 HydrophobicContact CD2-CG 4.05Å; F45-L101 HydrophobicContact CE2-CB 4.07Å; F45-L101 HydrophobicContact CE2-CD1 3.86Å; F45-L101 HydrophobicContact CE2-CG 4.16Å; V48-L101 HydrophobicContact CG1-CD1 3.95Å; V48-L101 HydrophobicContact CG2-CD1 4.09Å; V48-L101 HydrophobicContact CG2-CG 4.45Å; V71-L101 HydrophobicContact CG2-CD2 4.18Å; L80-L101 HydrophobicContact CB-CD2 3.88Å; I99-L101 HydrophobicContact CG2-CD2 3.88Å; I99-L101 HydrophobicContact CG2-CG 4.21Å; L101-V106 HydrophobicContact CB-CG1 4.01Å; L101-V106 HydrophobicContact CD1-CG1 4.12Å
102E98.5Very high96Very high9 Ų963.8 Ų63.84%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-79.1133.1179.9-58.1-165.7-157.200110.9A38 T39 A42 L80 W82 A104 L105 V106A38-E102 PolarHBondContact N-OE1 3.36Å; A38-E102 PolarHBondContact N-OE2 2.86Å; T39-E102 WeakPolarHBondContact CA-OE2 3.19Å; T39-E102 WeakPolarHBondContact CB-OE2 3.27Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.3Å; T39-E102 PolarHBondContact N-OE2 2.83Å; T39-E102 WeakPolarHBondContact OG1-CB 3.34Å; T39-E102 PolarHBondContact OG1-OE2 3Å; A42-E102 HydrophobicContact CB-CG 4.39Å; L80-E102 PolarHBondContact O-N 2.85Å; W82-E102 HydrophobicContact CZ3-CG 4.37Å; E102-A104 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact O-N 3.16Å; E102-L105 HydrophobicContact CB-CD1 3.96Å; E102-L105 HydrophobicContact CB-CG 4.18Å; E102-L105 HydrophobicContact CG-CD1 4.44Å; E102-L105 PolarHBondContact O-N 3.09Å; E102-V106 PolarHBondContact O-N 3.38Å
103R98Very high94.6Very high132 Ų13270.2 Ų70.250%0.49833%0.334SS..G310 helixtrans-60.1-32-173.5-176-175.466.3833.7112.5R41 F43 L105R41-R103 HydrophobicContact CB-CB 4.41Å; R41-R103 WeakPolarHBondContact O-CB 3.32Å; R41-R103 PolarHBondContact O-N 2.93Å; F43-R103 HydrophobicContact CE2-CB 3.85Å; F43-R103 HydrophobicContact CE2-CG 3.78Å; F43-R103 HydrophobicContact CZ-CB 4Å; F43-R103 HydrophobicContact CZ-CG 3.68Å; R103-L105 PolarHBondContact O-N 3.05Å
104A98.1Very high92.9Very high58 Ų5871.8 Ų71.848%0.47935%0.347SS..G310 helixtrans-69.8-16178.800000113.2T39 E102T39-A104 WeakPolarHBondContact OG1-CB 3.38Å; E102-A104 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact O-N 3.16Å
105L98.4Very high91.3Very high51 Ų5171.1 Ų71.127%0.26736%0.356SS..G310 helixtrans-110.1-0.5-171.4-53.4177.2000112.7A18 K79 L80 E102 R103A18-L105 WeakPolarHBondContact CB-O 3.4Å; A18-L105 PolarHBondContact N-O 3.49Å; K79-L105 WeakPolarHBondContact O-CD1 3.39Å; L80-L105 HydrophobicContact CD2-CB 4.16Å; L80-L105 WeakPolarHBondContact CD2-O 3.21Å; E102-L105 HydrophobicContact CB-CD1 3.96Å; E102-L105 HydrophobicContact CB-CG 4.18Å; E102-L105 HydrophobicContact CG-CD1 4.44Å; E102-L105 PolarHBondContact O-N 3.09Å; R103-L105 PolarHBondContact O-N 3.05Å
106V98.3Very high89.4Confident14 Ų1474.9 Ų74.99%0.08538%0.381CS..EExtended strand (participates in β ladder)trans-129.4152.8177.5-59.90000111.5F15 S16 L24 F43 L80 L101 E102F15-V106 HydrophobicContact CD1-CG2 4.19Å; S16-V106 CarbonylContact O-C 3.48Å; S16-V106 WeakPolarHBondContact O-CA 3.47Å; S16-V106 WeakPolarHBondContact O-CB 3.47Å; L24-V106 HydrophobicContact CD1-CG1 3.95Å; F43-V106 HydrophobicContact CD2-CG2 4.28Å; F43-V106 HydrophobicContact CE2-CG2 4.26Å; L80-V106 HydrophobicContact CD2-CG1 4.49Å; L101-V106 HydrophobicContact CB-CG1 4.01Å; L101-V106 HydrophobicContact CD1-CG1 4.12Å; E102-V106 PolarHBondContact O-N 3.38Å
107R98.1Very high87.5Confident128 Ų12878 Ų7848%0.48341%0.408SS..EExtended strand (participates in β ladder)trans-114.6139.6172.5-68176.8-177.1147.9-0109.7F15 S16 A18 D21F15-R107 CarbonylContact C-O 3.6Å; F15-R107 VanDerWaalsContact CA-O 3.25Å; F15-R107 WeakPolarHBondContact CA-O 3.42Å; S16-R107 PolarHBondContact N-O 2.9Å; S16-R107 PolarHBondContact O-N 3.36Å; A18-R107 HydrophobicContact CB-CG 4.06Å; A18-R107 PolarHBondContact O-NH1 3.37Å; A18-R107 PolarHBondContact O-NH2 2.66Å; D21-R107 IonicContact OD1-CZ 2.77Å; D21-R107 IonicContact OD1-NH1 2.66Å; D21-R107 PolarHBondContact OD1-NH1 3.21Å; D21-R107 IonicContact OD2-NH1 3.88Å
108E96.9Very high85.7Confident92 Ų9282.8 Ų82.843%0.4342%0.424SS..EExtended strand (participates in β ladder)trans-97.3131.6171.3-170.3169.6-16200108.5L14 F15 R27L14-E108 CarbonylContact O-C 3.49Å; L14-E108 VanDerWaalsContact O-CA 3.31Å; L14-E108 WeakPolarHBondContact O-CA 3.21Å; F15-E108 HydrophobicContact CD1-CB 4.2Å; F15-E108 HydrophobicContact CD1-CG 4.49Å; F15-E108 HydrophobicContact CE1-CB 3.93Å; F15-E108 HydrophobicContact CE1-CG 4.01Å; F15-E108 HydrophobicContact CZ-CB 4.45Å; F15-E108 HydrophobicContact CZ-CG 4.01Å; R27-E108 IonicContact CZ-OE1 2.76Å; R27-E108 IonicContact NH1-OE1 2.75Å; R27-E108 PolarHBondContact NH1-OE1 3.3Å; R27-E108 IonicContact NH1-OE2 3.65Å; R27-E108 PolarHBondContact NH1-OE2 3.4Å
109S95.4Very high83.6Confident52 Ų5285.5 Ų85.536%0.36445%0.45SS..EExtended strand (participates in β ladder)trans-139.2157.2177.968.30000110.9R13 L14R13-S109 WeakPolarHBondContact CA-O 3.49Å; L14-S109 PolarHBondContact N-O 3.14Å; L14-S109 PolarHBondContact O-N 3.41Å
110E93Very high81.2Confident131 Ų13193.9 Ų93.961%0.61251%0.509SS*.EExtended strand (participates in β ladder)trans-66.2139.3167.9-60.9-63.2144.900109.2S12 R13S12-E110 CarbonylContact O-C 3.53Å; R13-E110 IonicContact CZ-OE1 3.52Å; R13-E110 IonicContact NE-OE1 3.48Å; R13-E110 PolarHBondContact NE-OE1 2.84Å; R13-E110 VanDerWaalsContact NE-OE1 3.12Å; R13-E110 IonicContact NE-OE2 2.67Å; R13-E110 IonicContact NH2-OE1 3.27Å
111G84.8Confident80.3Confident18 Ų1898.6 Ų98.619%0.18654%0.535CS..  trans-102.8-168174.200000111S12S12-G111 PolarHBondContact O-N 3.14Å
112F77.6Confident79.3Confident181 Ų181103.7 Ų103.779%0.79456%0.563SS**  trans-93.2122.7176.5-60.6-79.1000109.6H114F112-H114 PolarHBondContact O-N 3.29Å
113E67.2Low78.3Confident160 Ų160109 Ų10975%0.74859%0.592SS**  trans-65.5128165.3-69.6-171.7126.800108.5V115E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3Å
114H62.2Low77.1Confident169 Ų169107.6 Ų107.678%0.78260%0.598SS**  trans-7198.3166.5-153.2-30.9000105.8F112 P116F112-H114 PolarHBondContact O-N 3.29Å; H114-P116 WeakPolarHBondContact O-CD 3.43Å; H114-P116 VanDerWaalsContact O-N 3.11Å
115V61.3Low75.8Confident115 Ų115110.8 Ų110.870%0.69761%0.605SS**  trans-61.2114.7164.2-173.60000104.5E113 S117E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3Å; V115-S117 PolarHBondContact O-N 3.33Å; V115-S117 VanDerWaalsContact O-N 3.15Å
116P58.2Low74.3Confident85 Ų85114.7 Ų114.755%0.55263%0.628SS**  trans-57.3125.6170.424.1-30.1000105.8H114 D118H114-P116 WeakPolarHBondContact O-CD 3.43Å; H114-P116 VanDerWaalsContact O-N 3.11Å; P116-D118 PolarHBondContact O-N 2.99Å
117S58.7Low72.6Confident111 Ų111121.9 Ų121.978%0.77667%0.666SS**  trans-68.98816814.50000105.1V115 T119V115-S117 PolarHBondContact O-N 3.33Å; V115-S117 VanDerWaalsContact O-N 3.15Å; S117-T119 PolarHBondContact O-N 3.45Å
118D59.9Low70.6Confident139 Ų139121.5 Ų121.574%0.74368%0.68SS**  trans-56.3126.3174-83.8-27000108P116 S120P116-D118 PolarHBondContact O-N 2.99Å; D118-S120 PolarHBondContact O-N 3.06Å
119T54.2Low68.4Low138 Ų138123.9 Ų123.985%0.84770%0.701SS**  trans-47.8123.4-179.5-28.60000110S117S117-T119 PolarHBondContact O-N 3.45Å
120S48.4Very low66Low188 Ų188130.5 Ų130.5100%1.31573%0.732SS**  trans-80.70156.2-61.90000110D118D118-S120 PolarHBondContact O-N 3.06Å

Retrieved 120 of 120 residues in 406.9 ms (Link to these results)

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