A0A077ZK97_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M64.6Low82.2Confident150 Ų15078.8 Ų78.874%0.73938%0.378SS*.  0115.90-174.316854.200106.8E5 V6 K9M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CG-CB 3.64Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; M1-V6 HydrophobicContact CE-CG2 3.64Å; M1-V6 HydrophobicContact CG-CG2 3.9Å; M1-V6 HydrophobicContact SD-CG2 4.01Å; M1-K9 HydrophobicContact SD-CD 4.04Å; M1-K9 PolarHBondContact SD-NZ 2.78Å; M1-K9 VanDerWaalsContact SD-NZ 3.35Å
2N78.1Confident81.5Confident77 Ų7781 Ų8141%0.41239%0.392SS..  trans-78.5166.1-178.670.335000110.9Q4 E5 V6N2-Q4 VanDerWaalsContact C-N 3.25Å; N2-Q4 PolarHBondContact O-N 2.85Å; N2-Q4 WeakPolarHBondContact OD1-CA 3.48Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.04Å; N2-Q4 PolarHBondContact OD1-N 3.05Å; N2-Q4 VanDerWaalsContact OD1-N 3.07Å; N2-E5 PolarHBondContact N-OE2 3.38Å; N2-E5 WeakPolarHBondContact O-CB 2.94Å; N2-E5 PolarHBondContact O-N 3.01Å; N2-E5 VanDerWaalsContact O-N 3.14Å; N2-E5 WeakPolarHBondContact OD1-CG 3.46Å; N2-E5 PolarHBondContact OD1-N 3.01Å; N2-V6 PolarHBondContact O-N 3.04Å
3K83.9Confident80.6Confident38 Ų3882.9 Ų82.917%0.16540%0.4CS..Hα-helixtrans-51.9-42.2179177.3171.6168.8170.20113E5 V6 I7 I47 N48 L50 E52K3-E5 PolarHBondContact O-N 3.32Å; K3-V6 PolarHBondContact O-N 3Å; K3-I7 HydrophobicContact CG-CD1 4.01Å; K3-I7 WeakPolarHBondContact O-CG1 3.26Å; K3-I7 PolarHBondContact O-N 3.45Å; K3-I47 HydrophobicContact CD-CG2 4.35Å; K3-I47 WeakPolarHBondContact CE-O 3.35Å; K3-I47 HydrophobicContact CG-CG2 3.64Å; K3-I47 PolarHBondContact NZ-O 2.82Å; K3-I47 VanDerWaalsContact NZ-O 3.16Å; K3-N48 VanDerWaalsContact CE-CA 3.42Å; K3-N48 VanDerWaalsContact NZ-C 3.28Å; K3-N48 PolarHBondContact NZ-O 2.87Å; K3-L50 PolarHBondContact NZ-O 3.35Å; K3-E52 HydrophobicContact CB-CG 3.9Å; K3-E52 HydrophobicContact CD-CG 3.54Å; K3-E52 WeakPolarHBondContact CD-OE1 3.44Å; K3-E52 HydrophobicContact CG-CG 4.39Å
4Q84.1Confident79.6Confident108 Ų10878.7 Ų78.751%0.50538%0.38SS..Hα-helixtrans-65.7-37.7-179.6-59.3-59.6-29.500112.8N2 V6 I7 K8N2-Q4 VanDerWaalsContact C-N 3.25Å; N2-Q4 PolarHBondContact O-N 2.85Å; N2-Q4 WeakPolarHBondContact OD1-CA 3.48Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.04Å; N2-Q4 PolarHBondContact OD1-N 3.05Å; N2-Q4 VanDerWaalsContact OD1-N 3.07Å; Q4-V6 VanDerWaalsContact C-N 3.35Å; Q4-I7 PolarHBondContact O-N 3.36Å; Q4-K8 VanDerWaalsContact O-CB 3.29Å; Q4-K8 WeakPolarHBondContact O-CB 3.15Å; Q4-K8 PolarHBondContact O-N 2.95Å
5E85.6Confident78.1Confident95 Ų9584.1 Ų84.144%0.44440%0.401SS..Hα-helixtrans-64.9-39175.4-71.8170.9156.400111.7M1 N2 K3 K8 K9M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CG-CB 3.64Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; N2-E5 PolarHBondContact N-OE2 3.38Å; N2-E5 WeakPolarHBondContact O-CB 2.94Å; N2-E5 PolarHBondContact O-N 3.01Å; N2-E5 VanDerWaalsContact O-N 3.14Å; N2-E5 WeakPolarHBondContact OD1-CG 3.46Å; N2-E5 PolarHBondContact OD1-N 3.01Å; K3-E5 PolarHBondContact O-N 3.32Å; E5-K8 PolarHBondContact O-N 2.95Å; E5-K9 WeakPolarHBondContact O-CG 3.42Å; E5-K9 PolarHBondContact O-N 2.81Å
6V85.6Confident76.6Confident41 Ų4181.4 Ų81.425%0.24840%0.398CS..Hα-helixtrans-64.9-49.5175.2-177.50000110.7M1 N2 K3 Q4 K8 K9 I10 I47M1-V6 HydrophobicContact CE-CG2 3.64Å; M1-V6 HydrophobicContact CG-CG2 3.9Å; M1-V6 HydrophobicContact SD-CG2 4.01Å; N2-V6 PolarHBondContact O-N 3.04Å; K3-V6 PolarHBondContact O-N 3Å; Q4-V6 VanDerWaalsContact C-N 3.35Å; V6-K8 VanDerWaalsContact C-N 3.28Å; V6-K8 PolarHBondContact O-N 3.07Å; V6-K9 PolarHBondContact O-N 3.04Å; V6-K9 VanDerWaalsContact O-N 3.14Å; V6-I10 HydrophobicContact CG1-CD1 3.98Å; V6-I10 WeakPolarHBondContact O-CG1 3.27Å; V6-I10 PolarHBondContact O-N 3.49Å; V6-I47 HydrophobicContact CG1-CD1 3.81Å
7I86.7Confident75.3Confident17 Ų1781.5 Ų81.59%0.08740%0.397CS..Hα-helixtrans-59.2-42.4178-67.8168.7000110.6K3 Q4 K9 I10 N11 I44 I47 N48K3-I7 HydrophobicContact CG-CD1 4.01Å; K3-I7 WeakPolarHBondContact O-CG1 3.26Å; K3-I7 PolarHBondContact O-N 3.45Å; Q4-I7 PolarHBondContact O-N 3.36Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.39Å; I7-I10 PolarHBondContact O-N 2.77Å; I7-N11 WeakPolarHBondContact CG2-ND2 3.35Å; I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 PolarHBondContact O-N 2.89Å; I7-N11 PolarHBondContact O-ND2 3.02Å; I7-I44 HydrophobicContact CG2-CG1 4.48Å; I7-I44 HydrophobicContact CG2-CG2 4.37Å; I7-I47 HydrophobicContact CD1-CG2 4.03Å; I7-I47 HydrophobicContact CG1-CG2 3.81Å; I7-N48 WeakPolarHBondContact CD1-OD1 3.24Å
8K86.2Confident73.8Confident146 Ų14683.1 Ų83.164%0.63542%0.415SS*.Hα-helixtrans-61.9-41.2177.5-172177.4-180-179.60111.7Q4 E5 V6 L12Q4-K8 VanDerWaalsContact O-CB 3.29Å; Q4-K8 WeakPolarHBondContact O-CB 3.15Å; Q4-K8 PolarHBondContact O-N 2.95Å; E5-K8 PolarHBondContact O-N 2.95Å; V6-K8 VanDerWaalsContact C-N 3.28Å; V6-K8 PolarHBondContact O-N 3.07Å; K8-L12 HydrophobicContact CG-CD1 4.15Å; K8-L12 WeakPolarHBondContact O-CB 3.4Å; K8-L12 WeakPolarHBondContact O-CD1 2.82Å; K8-L12 WeakPolarHBondContact O-CG 2.95Å; K8-L12 PolarHBondContact O-N 3.33Å
9K85.2Confident72.6Confident115 Ų11585.5 Ų85.550%0.543%0.434SS..Hα-helixtrans-64.3-45.7174.5-76.2-180178.1-179.60112.1M1 E5 V6 I7 N11 L12 E13M1-K9 HydrophobicContact SD-CD 4.04Å; M1-K9 PolarHBondContact SD-NZ 2.78Å; M1-K9 VanDerWaalsContact SD-NZ 3.35Å; E5-K9 WeakPolarHBondContact O-CG 3.42Å; E5-K9 PolarHBondContact O-N 2.81Å; V6-K9 PolarHBondContact O-N 3.04Å; V6-K9 VanDerWaalsContact O-N 3.14Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.39Å; K9-N11 PolarHBondContact O-N 2.8Å; K9-L12 WeakPolarHBondContact O-CB 3.41Å; K9-L12 PolarHBondContact O-N 2.77Å; K9-E13 WeakPolarHBondContact O-CG 3.22Å; K9-E13 PolarHBondContact O-N 3.33Å
10I83.9Confident71.5Confident25 Ų2587 Ų8713%0.12843%0.434CS..Hα-helixtrans-62.5-44.2177.3-64.5168.5000110.6V6 I7 L12 E13 M14 N43 I44 I47V6-I10 HydrophobicContact CG1-CD1 3.98Å; V6-I10 WeakPolarHBondContact O-CG1 3.27Å; V6-I10 PolarHBondContact O-N 3.49Å; I7-I10 PolarHBondContact O-N 2.77Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.86Å; I10-E13 PolarHBondContact O-N 3.38Å; I10-M14 VanDerWaalsContact O-CB 3.24Å; I10-M14 WeakPolarHBondContact O-CB 3.46Å; I10-M14 PolarHBondContact O-N 3.22Å; I10-N43 HydrophobicContact CD1-CB 4.45Å; I10-I44 HydrophobicContact CB-CD1 4.43Å; I10-I44 HydrophobicContact CB-CG1 4.31Å; I10-I44 HydrophobicContact CD1-CG1 4.41Å; I10-I44 HydrophobicContact CG2-CD1 3.86Å; I10-I44 HydrophobicContact CG2-CG1 3.88Å; I10-I47 HydrophobicContact CD1-CD1 3.3Å
11N80.3Confident70.5Confident55 Ų5590 Ų9029%0.29445%0.445SS..Hα-helixtrans-62.7-41.4175.8-78.6-32.8000111.6I7 K9 M14 F15 I44I7-N11 WeakPolarHBondContact CG2-ND2 3.35Å; I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 PolarHBondContact O-N 2.89Å; I7-N11 PolarHBondContact O-ND2 3.02Å; K9-N11 PolarHBondContact O-N 2.8Å; N11-M14 PolarHBondContact O-N 2.99Å; N11-F15 WeakPolarHBondContact O-CD2 3.25Å; N11-F15 PolarHBondContact O-N 2.94Å; N11-F15 VanDerWaalsContact O-N 3.13Å; N11-I44 WeakPolarHBondContact OD1-CD1 3.48Å
12L74Confident69.9Low105 Ų10588.7 Ų88.755%0.5545%0.447SS..Hα-helixtrans-56.4-51.3172.4-83.6157.1000109.7K8 K9 I10 M14 F15 A16K8-L12 HydrophobicContact CG-CD1 4.15Å; K8-L12 WeakPolarHBondContact O-CB 3.4Å; K8-L12 WeakPolarHBondContact O-CD1 2.82Å; K8-L12 WeakPolarHBondContact O-CG 2.95Å; K8-L12 PolarHBondContact O-N 3.33Å; K9-L12 WeakPolarHBondContact O-CB 3.41Å; K9-L12 PolarHBondContact O-N 2.77Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.86Å; L12-M14 PolarHBondContact O-N 3.48Å; L12-F15 CarbonylContact O-C 3.28Å; L12-F15 PolarHBondContact O-N 3.14Å; L12-A16 VanDerWaalsContact O-CA 3.23Å; L12-A16 WeakPolarHBondContact O-CA 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.45Å
13E70Confident68.6Low106 Ų10693.1 Ų93.150%0.49547%0.466SS..Hα-helixtrans-66.8-36.1-179.9-64.6175-171.300113.4K9 I10 F15 A16 Y36K9-E13 WeakPolarHBondContact O-CG 3.22Å; K9-E13 PolarHBondContact O-N 3.33Å; I10-E13 PolarHBondContact O-N 3.38Å; E13-F15 PolarHBondContact O-N 2.87Å; E13-A16 PolarHBondContact O-N 3.23Å; E13-Y36 HydrophobicContact CB-CE1 4.5Å; E13-Y36 WeakPolarHBondContact CB-OH 3.43Å; E13-Y36 PolarHBondContact OE2-OH 3.32Å; E13-Y36 VanDerWaalsContact OE2-OH 3.14Å
14M66.1Low67.4Low24 Ų2495.6 Ų95.612%0.11848%0.481CS..Hα-helixtrans-60.1-32.1175.2-168.5178.366.600112.3I10 N11 L12 N37 K41I10-M14 VanDerWaalsContact O-CB 3.24Å; I10-M14 WeakPolarHBondContact O-CB 3.46Å; I10-M14 PolarHBondContact O-N 3.22Å; N11-M14 PolarHBondContact O-N 2.99Å; L12-M14 PolarHBondContact O-N 3.48Å; M14-N37 HydrophobicContact CG-CB 4.4Å; M14-N37 WeakPolarHBondContact CG-OD1 3.43Å; M14-N37 PolarHBondContact O-OD1 3.06Å; M14-K41 HydrophobicContact SD-CG 4.15Å
15F57.8Low66.2Low159 Ų15995.6 Ų95.670%0.69750%0.499SS*.Hα-helixtrans-107.1-14.5177.8-62.7-64.6000113.6N11 L12 E13 H17N11-F15 WeakPolarHBondContact O-CD2 3.25Å; N11-F15 PolarHBondContact O-N 2.94Å; N11-F15 VanDerWaalsContact O-N 3.13Å; L12-F15 CarbonylContact O-C 3.28Å; L12-F15 PolarHBondContact O-N 3.14Å; E13-F15 PolarHBondContact O-N 2.87Å; F15-H17 PolarHBondContact O-N 3.45Å
16A54.4Low65.2Low42 Ų4297.9 Ų97.935%0.34751%0.514SS..  trans-95.972.3-177.700000110.8L12 E13 P18L12-A16 VanDerWaalsContact O-CA 3.23Å; L12-A16 WeakPolarHBondContact O-CA 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.45Å; E13-A16 PolarHBondContact O-N 3.23Å; A16-P18 HydrophobicContact CB-CG 4.11Å
17H53.6Low64.1Low83 Ų8397.5 Ų97.538%0.38452%0.516SS..  trans-114.862.1135.2-76.7-75000109.9F15 W20F15-H17 PolarHBondContact O-N 3.45Å; H17-W20 AromaticContact CE1-CE3 3.72Å; H17-W20 AromaticContact CE1-CZ3 3.56Å; H17-W20 AromaticContact ND1-CE3 3.39Å; H17-W20 AromaticContact ND1-CZ3 3.75Å
18P49.1Very low63Low110 Ų11097.7 Ų97.771%0.71452%0.518SS*.  trans-82.7-9177.94.120.6000110.7A16A16-P18 HydrophobicContact CB-CG 4.11Å
19T50.6Low62.4Low129 Ų12994.5 Ų94.579%0.79151%0.511SS*.SBendtrans-100.6-8.8-17444.40000114
20W51.2Low62Low114 Ų11493.6 Ų93.643%0.43252%0.517SS..  trans-89.6115174.3-109.1-27.2000110.3H17 P28H17-W20 AromaticContact CE1-CE3 3.72Å; H17-W20 AromaticContact CE1-CZ3 3.56Å; H17-W20 AromaticContact ND1-CE3 3.39Å; H17-W20 AromaticContact ND1-CZ3 3.75Å; W20-P28 HydrophobicContact CE3-CG 3.52Å; W20-P28 HydrophobicContact CH2-CG 4.09Å; W20-P28 HydrophobicContact CZ3-CB 4.23Å; W20-P28 HydrophobicContact CZ3-CG 3.29Å
21K48.9Very low61.7Low152 Ų15298.7 Ų98.766%0.66154%0.544SS*.  trans-69.4149.3172-68.6-177.3179.6178.80109.3E23K21-E23 PolarHBondContact O-N 2.77Å
22P52Low61.5Low121 Ų121101.3 Ų101.379%0.78655%0.553SS**THydrogen-bonded Turntrans-66.32.7-173.7-16.229.6000115.7
23E51.9Low61.5Low170 Ų170101.2 Ų101.279%0.79455%0.549SS*.THydrogen-bonded Turntrans-122.2-3.3-155.3-56.4-177.5-137.300113.9K21K21-E23 PolarHBondContact O-N 2.77Å
24D58.5Low62Low91 Ų91101.3 Ų101.349%0.48755%0.552SS.*  trans-83.4133.2176.1-64.4-42000110D26 A27D24-D26 PolarHBondContact O-N 2.92Å; D24-A27 VanDerWaalsContact O-CB 3.23Å; D24-A27 WeakPolarHBondContact O-CB 3.42Å; D24-A27 PolarHBondContact O-N 3.42Å
25A59Low62.8Low108 Ų108102.1 Ų102.189%0.89357%0.567SS**THydrogen-bonded Turntrans-58.4-16.3178.200000113.6
26D64.5Low63.8Low142 Ų14297.9 Ų97.976%0.75955%0.547SS*.THydrogen-bonded Turntrans-965.8177.4-61.1-40.9000113.3D24D24-D26 PolarHBondContact O-N 2.92Å
27A62Low65.2Low34 Ų3498.1 Ų98.128%0.28154%0.542SS..SBendtrans-66.7137.7176.700000110.7D24 T29D24-A27 VanDerWaalsContact O-CB 3.23Å; D24-A27 WeakPolarHBondContact O-CB 3.42Å; D24-A27 PolarHBondContact O-N 3.42Å; A27-T29 PolarHBondContact O-N 2.79Å
28P64.6Low66.7Low20 Ų2097 Ų9713%0.1355%0.547CS..PPolyproline II helixtrans-65.6136.5-177.223.6-32.1000109.8W20 F32 K33W20-P28 HydrophobicContact CE3-CG 3.52Å; W20-P28 HydrophobicContact CH2-CG 4.09Å; W20-P28 HydrophobicContact CZ3-CB 4.23Å; W20-P28 HydrophobicContact CZ3-CG 3.29Å; P28-F32 HydrophobicContact CB-CB 4.05Å; P28-F32 HydrophobicContact CB-CD1 3.32Å; P28-F32 HydrophobicContact CB-CE1 3.96Å; P28-F32 HydrophobicContact CB-CG 3.85Å; P28-F32 HydrophobicContact CG-CD1 4.29Å; P28-K33 HydrophobicContact CG-CG 4.45Å
29T73Confident68.4Low80 Ų8094.1 Ų94.149%0.49153%0.533SS..PPolyproline II helixtrans-57.9153.8177.462.20000110.7A27 D31 F32 K33A27-T29 PolarHBondContact O-N 2.79Å; T29-D31 PolarHBondContact O-N 3.13Å; T29-F32 WeakPolarHBondContact O-CB 3.15Å; T29-F32 PolarHBondContact O-N 3.39Å; T29-F32 WeakPolarHBondContact OG1-CB 3.45Å; T29-F32 PolarHBondContact OG1-N 3.44Å; T29-F32 VanDerWaalsContact OG1-N 3.13Å; T29-K33 PolarHBondContact O-N 2.88Å; T29-K33 VanDerWaalsContact O-N 3.11Å
30P76Confident70.1Confident96 Ų9688.1 Ų88.162%0.62350%0.496SS*.Hα-helixtrans-49.8-42.2170-28.336.2000112.5F32 K33 D34P30-F32 VanDerWaalsContact C-N 3.32Å; P30-F32 PolarHBondContact O-N 3.26Å; P30-K33 WeakPolarHBondContact O-CB 3.36Å; P30-K33 PolarHBondContact O-N 3.5Å; P30-K33 VanDerWaalsContact O-N 3.09Å; P30-D34 PolarHBondContact O-N 3.33Å
31D77.7Confident71.8Confident131 Ų13189.4 Ų89.470%0.70151%0.505SS*.Hα-helixtrans-59.3-40176.2-62.3-13.5000112.7T29 D34 G35T29-D31 PolarHBondContact O-N 3.13Å; D31-D34 PolarHBondContact O-N 3.28Å; D31-G35 PolarHBondContact O-N 2.75Å
32F77.7Confident73.8Confident111 Ų11184.5 Ų84.549%0.48749%0.492SS..Hα-helixtrans-63.6-43.8174.9178.3-85.1000111.3P28 T29 P30 G35 Y36P28-F32 HydrophobicContact CB-CB 4.05Å; P28-F32 HydrophobicContact CB-CD1 3.32Å; P28-F32 HydrophobicContact CB-CE1 3.96Å; P28-F32 HydrophobicContact CB-CG 3.85Å; P28-F32 HydrophobicContact CG-CD1 4.29Å; T29-F32 WeakPolarHBondContact O-CB 3.15Å; T29-F32 PolarHBondContact O-N 3.39Å; T29-F32 WeakPolarHBondContact OG1-CB 3.45Å; T29-F32 PolarHBondContact OG1-N 3.44Å; T29-F32 VanDerWaalsContact OG1-N 3.13Å; P30-F32 VanDerWaalsContact C-N 3.32Å; P30-F32 PolarHBondContact O-N 3.26Å; F32-G35 PolarHBondContact O-N 3.2Å; F32-Y36 WeakPolarHBondContact O-CB 3.37Å; F32-Y36 PolarHBondContact O-N 3.41Å
33K73.1Confident75.5Confident103 Ų10382.6 Ų82.645%0.44848%0.476SS..Hα-helixtrans-62.9-44.2178.5-66.9-179-177.5178.90111.3P28 T29 P30 Y36 N37P28-K33 HydrophobicContact CG-CG 4.45Å; T29-K33 PolarHBondContact O-N 2.88Å; T29-K33 VanDerWaalsContact O-N 3.11Å; P30-K33 WeakPolarHBondContact O-CB 3.36Å; P30-K33 PolarHBondContact O-N 3.5Å; P30-K33 VanDerWaalsContact O-N 3.09Å; K33-Y36 PolarHBondContact O-N 2.9Å; K33-N37 VanDerWaalsContact O-CB 3.3Å; K33-N37 WeakPolarHBondContact O-CB 3.08Å; K33-N37 PolarHBondContact O-N 2.8Å; K33-N37 PolarHBondContact O-ND2 2.75Å
34D79.6Confident77.3Confident108 Ų10875.7 Ų75.758%0.57844%0.444SS*.Hα-helixtrans-64.6-42.7177.9-74.9-12.5000111.5P30 D31 N37 A38P30-D34 PolarHBondContact O-N 3.33Å; D31-D34 PolarHBondContact O-N 3.28Å; D34-N37 PolarHBondContact O-N 2.74Å; D34-A38 VanDerWaalsContact O-CB 3.31Å; D34-A38 WeakPolarHBondContact O-CB 3.34Å; D34-A38 PolarHBondContact O-N 2.81Å
35G82.7Confident78.9Confident41 Ų4178.1 Ų78.142%0.42345%0.45SS..Hα-helixtrans-61.2-47.117400000113D31 F32 N37 A38 A39D31-G35 PolarHBondContact O-N 2.75Å; F32-G35 PolarHBondContact O-N 3.2Å; G35-N37 PolarHBondContact O-N 3.5Å; G35-A38 PolarHBondContact O-N 3.22Å; G35-A39 WeakPolarHBondContact O-CB 3.37Å; G35-A39 PolarHBondContact O-N 3.43Å
36Y80.6Confident80.3Confident69 Ų6977.3 Ų77.327%0.27143%0.43SS..Hα-helixtrans-62.3-42.9177.3-176.5-90.8000111.9E13 F32 K33 A39 S40E13-Y36 HydrophobicContact CB-CE1 4.5Å; E13-Y36 WeakPolarHBondContact CB-OH 3.43Å; E13-Y36 PolarHBondContact OE2-OH 3.32Å; E13-Y36 VanDerWaalsContact OE2-OH 3.14Å; F32-Y36 WeakPolarHBondContact O-CB 3.37Å; F32-Y36 PolarHBondContact O-N 3.41Å; K33-Y36 PolarHBondContact O-N 2.9Å; Y36-A39 PolarHBondContact O-N 3.12Å; Y36-S40 WeakPolarHBondContact CE1-OG 3.24Å; Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 2.8Å; Y36-S40 PolarHBondContact O-OG 3.17Å
37N82.1Confident81.4Confident47 Ų4771.8 Ų71.825%0.25140%0.4SS..Hα-helixtrans-65.4-40.2176.5-72.3-21.7000112.2M14 K33 D34 G35 S40 K41M14-N37 HydrophobicContact CG-CB 4.4Å; M14-N37 WeakPolarHBondContact CG-OD1 3.43Å; M14-N37 PolarHBondContact O-OD1 3.06Å; K33-N37 VanDerWaalsContact O-CB 3.3Å; K33-N37 WeakPolarHBondContact O-CB 3.08Å; K33-N37 PolarHBondContact O-N 2.8Å; K33-N37 PolarHBondContact O-ND2 2.75Å; D34-N37 PolarHBondContact O-N 2.74Å; G35-N37 PolarHBondContact O-N 3.5Å; N37-S40 PolarHBondContact O-N 3.34Å; N37-K41 WeakPolarHBondContact O-CG 3.29Å; N37-K41 PolarHBondContact O-N 2.76Å
38A85.5Confident82.6Confident60 Ų6074.4 Ų74.450%0.49641%0.409SS..Hα-helixtrans-63.4-45.2175.100000111.5D34 G35 K41 A42D34-A38 VanDerWaalsContact O-CB 3.31Å; D34-A38 WeakPolarHBondContact O-CB 3.34Å; D34-A38 PolarHBondContact O-N 2.81Å; G35-A38 PolarHBondContact O-N 3.22Å; A38-K41 PolarHBondContact O-N 2.71Å; A38-A42 PolarHBondContact O-N 3.46Å
39A85.1Confident83.6Confident49 Ų4980 Ų8041%0.40543%0.434SS..Hα-helixtrans-62.8-43.3175.900000111.9G35 Y36 K41 A42 N43G35-A39 WeakPolarHBondContact O-CB 3.37Å; G35-A39 PolarHBondContact O-N 3.43Å; Y36-A39 PolarHBondContact O-N 3.12Å; A39-K41 PolarHBondContact O-N 2.98Å; A39-A42 WeakPolarHBondContact O-CB 3.46Å; A39-A42 PolarHBondContact O-N 2.84Å; A39-N43 WeakPolarHBondContact O-CB 3.49Å; A39-N43 VanDerWaalsContact O-CG 3.28Å; A39-N43 PolarHBondContact O-N 3.25Å
40S86.5Confident84.2Confident4 Ų481.1 Ų81.13%0.02844%0.436CS..Hα-helixtrans-60.4-43.7177.5-63.90000111.9Y36 N37 N43 I44Y36-S40 WeakPolarHBondContact CE1-OG 3.24Å; Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 2.8Å; Y36-S40 PolarHBondContact O-OG 3.17Å; N37-S40 PolarHBondContact O-N 3.34Å; S40-N43 PolarHBondContact O-N 3.04Å; S40-I44 WeakPolarHBondContact O-CG1 3.31Å; S40-I44 PolarHBondContact O-N 3.21Å
41K87.6Confident84.3Confident141 Ų14184.2 Ų84.261%0.61345%0.447SS*.Hα-helixtrans-62.6-41.8173.9-73.5173.4-178174.90112.4M14 N37 A38 A39 I44 K45M14-K41 HydrophobicContact SD-CG 4.15Å; N37-K41 WeakPolarHBondContact O-CG 3.29Å; N37-K41 PolarHBondContact O-N 2.76Å; A38-K41 PolarHBondContact O-N 2.71Å; A39-K41 PolarHBondContact O-N 2.98Å; K41-I44 PolarHBondContact O-N 2.71Å; K41-K45 PolarHBondContact O-N 2.93Å
42A89.8Confident83.9Confident48 Ų4882.6 Ų82.640%0.39744%0.436SS..Hα-helixtrans-63.3-43.6176.100000111.5A38 A39 K45 I46A38-A42 PolarHBondContact O-N 3.46Å; A39-A42 WeakPolarHBondContact O-CB 3.46Å; A39-A42 PolarHBondContact O-N 2.84Å; A42-K45 WeakPolarHBondContact O-CB 2.97Å; A42-K45 PolarHBondContact O-N 2.83Å; A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 3.27Å
43N89Confident83.4Confident82 Ų8282.4 Ų82.444%0.43945%0.446SS..Hα-helixtrans-61.7-46176.1-71.4-15.3000111.7I10 A39 S40 K45 I46 I47I10-N43 HydrophobicContact CD1-CB 4.45Å; A39-N43 WeakPolarHBondContact O-CB 3.49Å; A39-N43 VanDerWaalsContact O-CG 3.28Å; A39-N43 PolarHBondContact O-N 3.25Å; S40-N43 PolarHBondContact O-N 3.04Å; N43-K45 VanDerWaalsContact C-N 3.26Å; N43-K45 PolarHBondContact O-N 3.1Å; N43-I46 PolarHBondContact O-N 3.27Å; N43-I47 WeakPolarHBondContact O-CB 3.47Å; N43-I47 WeakPolarHBondContact O-CD1 3.45Å; N43-I47 VanDerWaalsContact O-CG1 3.24Å; N43-I47 WeakPolarHBondContact O-CG1 3.37Å; N43-I47 PolarHBondContact O-N 2.92Å
44I88.8Confident83.1Confident25 Ų2583 Ų8313%0.12846%0.458CS..Hα-helixtrans-59.5-39.3175.6-69.5166.4000110.9I7 I10 N11 S40 K41 I47 N48I7-I44 HydrophobicContact CG2-CG1 4.48Å; I7-I44 HydrophobicContact CG2-CG2 4.37Å; I10-I44 HydrophobicContact CB-CD1 4.43Å; I10-I44 HydrophobicContact CB-CG1 4.31Å; I10-I44 HydrophobicContact CD1-CG1 4.41Å; I10-I44 HydrophobicContact CG2-CD1 3.86Å; I10-I44 HydrophobicContact CG2-CG1 3.88Å; N11-I44 WeakPolarHBondContact OD1-CD1 3.48Å; S40-I44 WeakPolarHBondContact O-CG1 3.31Å; S40-I44 PolarHBondContact O-N 3.21Å; K41-I44 PolarHBondContact O-N 2.71Å; I44-I47 PolarHBondContact O-N 3.38Å; I44-N48 WeakPolarHBondContact O-CB 3.37Å; I44-N48 VanDerWaalsContact O-CG 3.29Å; I44-N48 PolarHBondContact O-N 3.16Å; I44-N48 PolarHBondContact O-ND2 2.81Å
45K91Very high82.8Confident141 Ų14186.3 Ų86.361%0.61347%0.468SS*.Hα-helixtrans-61.6-44.6176.3-174.1-178178.3-176.30112K41 A42 N43 N48 Q49K41-K45 PolarHBondContact O-N 2.93Å; A42-K45 WeakPolarHBondContact O-CB 2.97Å; A42-K45 PolarHBondContact O-N 2.83Å; N43-K45 VanDerWaalsContact C-N 3.26Å; N43-K45 PolarHBondContact O-N 3.1Å; K45-N48 PolarHBondContact O-N 3.25Å; K45-Q49 WeakPolarHBondContact O-CG 3.48Å; K45-Q49 PolarHBondContact O-N 3.41Å
46I89.7Confident82.8Confident92 Ų9288.5 Ų88.547%0.47247%0.472SS..Hα-helixtrans-64.6-47.8176.6-65.5165.7000110.2A42 N43 N48 Q49 L50A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 3.27Å; N43-I46 PolarHBondContact O-N 3.27Å; I46-N48 PolarHBondContact O-N 3.38Å; I46-Q49 WeakPolarHBondContact O-CA 3.47Å; I46-Q49 WeakPolarHBondContact O-CB 3.49Å; I46-Q49 PolarHBondContact O-N 2.87Å; I46-L50 PolarHBondContact O-N 3.04Å
47I88.1Confident83.2Confident26 Ų2689.8 Ų89.813%0.13348%0.483CS..Hα-helixtrans-57.9-39178.2-69162.7000110.7K3 V6 I7 I10 N43 I44 Q49 L50K3-I47 HydrophobicContact CD-CG2 4.35Å; K3-I47 WeakPolarHBondContact CE-O 3.35Å; K3-I47 HydrophobicContact CG-CG2 3.64Å; K3-I47 PolarHBondContact NZ-O 2.82Å; K3-I47 VanDerWaalsContact NZ-O 3.16Å; V6-I47 HydrophobicContact CG1-CD1 3.81Å; I7-I47 HydrophobicContact CD1-CG2 4.03Å; I7-I47 HydrophobicContact CG1-CG2 3.81Å; I10-I47 HydrophobicContact CD1-CD1 3.3Å; N43-I47 WeakPolarHBondContact O-CB 3.47Å; N43-I47 WeakPolarHBondContact O-CD1 3.45Å; N43-I47 VanDerWaalsContact O-CG1 3.24Å; N43-I47 WeakPolarHBondContact O-CG1 3.37Å; N43-I47 PolarHBondContact O-N 2.92Å; I44-I47 PolarHBondContact O-N 3.38Å; I47-Q49 PolarHBondContact O-N 3.19Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 3.31Å; I47-L50 VanDerWaalsContact O-N 3.1Å
48N86.6Confident83.8Confident88 Ų8889 Ų8947%0.47148%0.483SS..Hα-helixtrans-62.1-25.1175.6-79.8-26.3000114.2K3 I7 I44 K45 I46K3-N48 VanDerWaalsContact CE-CA 3.42Å; K3-N48 VanDerWaalsContact NZ-C 3.28Å; K3-N48 PolarHBondContact NZ-O 2.87Å; I7-N48 WeakPolarHBondContact CD1-OD1 3.24Å; I44-N48 WeakPolarHBondContact O-CB 3.37Å; I44-N48 VanDerWaalsContact O-CG 3.29Å; I44-N48 PolarHBondContact O-N 3.16Å; I44-N48 PolarHBondContact O-ND2 2.81Å; K45-N48 PolarHBondContact O-N 3.25Å; I46-N48 PolarHBondContact O-N 3.38Å
49Q86.4Confident84.3Confident139 Ų13989.2 Ų89.265%0.6547%0.474SS*.Hα-helixtrans-86.1-16.4175.6-64.8172.2-2800113.4K45 I46 I47K45-Q49 WeakPolarHBondContact O-CG 3.48Å; K45-Q49 PolarHBondContact O-N 3.41Å; I46-Q49 WeakPolarHBondContact O-CA 3.47Å; I46-Q49 WeakPolarHBondContact O-CB 3.49Å; I46-Q49 PolarHBondContact O-N 2.87Å; I47-Q49 PolarHBondContact O-N 3.19Å
50L84.3Confident84.9Confident103 Ų10391 Ų9154%0.53948%0.476SS..SBendtrans-71.3134.1174.4-60.6176.1000109.7K3 I46 I47K3-L50 PolarHBondContact NZ-O 3.35Å; I46-L50 PolarHBondContact O-N 3.04Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 3.31Å; I47-L50 VanDerWaalsContact O-N 3.1Å
51D77.7Confident85.3Confident160 Ų16092.6 Ų92.686%0.85649%0.489SS*.PPolyproline II helixtrans-62.9133.9171-66.7-40.7000109.6
52E69.4Low85.7Confident97 Ų9794.6 Ų94.645%0.45350%0.501SS..PPolyproline II helixtrans-71.8140.1172.4-71.3-169178.600108.4K3 T54K3-E52 HydrophobicContact CB-CG 3.9Å; K3-E52 HydrophobicContact CD-CG 3.54Å; K3-E52 WeakPolarHBondContact CD-OE1 3.44Å; K3-E52 HydrophobicContact CG-CG 4.39Å; E52-T54 PolarHBondContact O-N 3.19Å
53P67.7Low86Confident107 Ų10798.4 Ų98.470%0.69551%0.508SS*.PPolyproline II helixtrans-56.1119.2169.524.2-32000107.6K55P53-K55 PolarHBondContact O-N 3.03Å
54T66.6Low86.4Confident117 Ų11796.1 Ų96.172%0.71849%0.494SS*.  trans-54.7110-178.3-56.80000108.3E52 V56E52-T54 PolarHBondContact O-N 3.19Å; T54-V56 PolarHBondContact O-N 2.94Å
55K73.8Confident86.7Confident177 Ų17799.4 Ų99.477%0.7751%0.508SS*.  trans-70.4103.3177.1-175.4-178179.1-1760107.5P53 I57P53-K55 PolarHBondContact O-N 3.03Å; K55-I57 PolarHBondContact O-N 3.47Å
56V82.6Confident86.9Confident86 Ų8699.5 Ų99.552%0.52151%0.511SS..  trans-73.8126.9174.4-174.60000108.7T54 T100T54-V56 PolarHBondContact O-N 2.94Å; V56-T100 HydrophobicContact CG1-CG2 3.6Å
57I89.6Confident87.1Confident97 Ų97102.2 Ų102.250%0.49753%0.527SS..  trans-111.4128.7177.7-61.6175.4000107.6K55 H59K55-I57 PolarHBondContact O-N 3.47Å; I57-H59 PolarHBondContact O-N 3.35Å
58A94.2Very high87.4Confident31 Ų31103.1 Ų103.126%0.25653%0.531SS..PPolyproline II helixtrans-75124.817100000109.8F76 H98 F99 T100A58-F76 HydrophobicContact CB-CE2 3.86Å; A58-F76 HydrophobicContact CB-CZ 4Å; A58-H98 HydrophobicContact CB-CB 3.97Å; A58-F99 CarbonylContact C-O 3.56Å; A58-F99 VanDerWaalsContact CA-O 3.3Å; A58-F99 WeakPolarHBondContact CA-O 3.42Å; A58-T100 HydrophobicContact CB-CG2 3.94Å
59H96Very high87.7Confident63 Ų6399.8 Ų99.829%0.29252%0.517SS..EExtended strand (participates in β ladder)trans-92.4148.8178.2-65.5-55.5000110.6I57 K63 H98 F99I57-H59 PolarHBondContact O-N 3.35Å; H59-K63 HydrophobicContact CB-CB 4.47Å; H59-K63 HydrophobicContact CB-CD 4.16Å; H59-H98 CarbonylContact O-C 3.36Å; H59-H98 WeakPolarHBondContact O-CA 3.49Å; H59-H98 WeakPolarHBondContact O-CB 3.47Å; H59-F99 HydrophobicContact CB-CD1 4.12Å; H59-F99 HydrophobicContact CB-CE1 3.66Å; H59-F99 HydrophobicContact CB-CE2 4.14Å; H59-F99 HydrophobicContact CB-CZ 3.68Å; H59-F99 PolarHBondContact N-O 3.02Å; H59-F99 PolarHBondContact O-N 3.31Å
60L97Very high88.2Confident87 Ų8796.8 Ų96.846%0.45551%0.51SS..EExtended strand (participates in β ladder)trans-62.9145.9174.2-72.9167.2000111.1E62 K63 H98 F99L60-E62 PolarHBondContact O-N 3.18Å; L60-E62 VanDerWaalsContact O-N 3.08Å; L60-K63 WeakPolarHBondContact O-CB 3.34Å; L60-K63 PolarHBondContact O-N 3.03Å; L60-H98 WeakPolarHBondContact CD2-NE2 3.39Å; L60-F99 VanDerWaalsContact O-CE1 3.26Å; L60-F99 WeakPolarHBondContact O-CE1 3.27Å
61A95.6Very high88.7Confident37 Ų3791.9 Ų91.931%0.30648%0.484SS..G310 helixtrans-49.2-37179.500000114K63 W64 W73 T97A61-K63 PolarHBondContact O-N 3.47Å; A61-K63 VanDerWaalsContact O-N 3.13Å; A61-W64 WeakPolarHBondContact O-CB 3.22Å; A61-W64 PolarHBondContact O-N 2.86Å; A61-W73 HydrophobicContact CB-CH2 4.36Å; A61-W73 HydrophobicContact CB-CZ3 3.71Å; A61-T97 WeakPolarHBondContact CB-O 3.35Å; A61-T97 PolarHBondContact N-O 2.85Å
62E95.2Very high89.6Confident184 Ų18486.4 Ų86.486%0.8646%0.455SS*.G310 helixtrans-61-20.7179-60.9177-179.500114.1L60 W64L60-E62 PolarHBondContact O-N 3.18Å; L60-E62 VanDerWaalsContact O-N 3.08Å; E62-W64 VanDerWaalsContact C-N 3.31Å
63K96.6Very high91Very high127 Ų12781.9 Ų81.955%0.55243%0.434SS*.G310 helixtrans-82.3-11.1177.2-65-174.9173.1-174.60112.9H59 L60 A61 F99H59-K63 HydrophobicContact CB-CB 4.47Å; H59-K63 HydrophobicContact CB-CD 4.16Å; L60-K63 WeakPolarHBondContact O-CB 3.34Å; L60-K63 PolarHBondContact O-N 3.03Å; A61-K63 PolarHBondContact O-N 3.47Å; A61-K63 VanDerWaalsContact O-N 3.13Å; K63-F99 HydrophobicContact CB-CE1 3.94Å; K63-F99 HydrophobicContact CB-CZ 4.12Å
64W96.7Very high92.4Very high34 Ų3479.5 Ų79.513%0.12941%0.411CS..  trans-77141.9179-174.588.8000110.5A61 E62 E66 G69 W73 T86 P87 L88 F99A61-W64 WeakPolarHBondContact O-CB 3.22Å; A61-W64 PolarHBondContact O-N 2.86Å; E62-W64 VanDerWaalsContact C-N 3.31Å; W64-E66 HydrophobicContact CH2-CG 4.02Å; W64-E66 HydrophobicContact CZ3-CG 4.3Å; W64-G69 PolarHBondContact NE1-O 2.85Å; W64-W73 HydrophobicContact CB-CH2 3.68Å; W64-W73 HydrophobicContact CB-CZ2 4.03Å; W64-W73 AromaticContact CD1-CZ2 3.68Å; W64-W73 HydrophobicContact CD2-CH2 4.39Å; W64-W73 HydrophobicContact CD2-CZ2 4.01Å; W64-W73 AromaticContact CG-CH2 3.8Å; W64-W73 HydrophobicContact CG-CH2 3.8Å; W64-W73 AromaticContact CG-CZ2 3.61Å; W64-W73 HydrophobicContact CG-CZ2 3.61Å; W64-T86 HydrophobicContact CZ2-CG2 4.03Å; W64-P87 HydrophobicContact CD2-CG 4.04Å; W64-P87 HydrophobicContact CE3-CG 3.83Å; W64-P87 HydrophobicContact CZ3-CG 4.09Å; W64-L88 HydrophobicContact CH2-CD1 4.42Å; W64-L88 HydrophobicContact CH2-CG 4.4Å; W64-F99 HydrophobicContact CB-CD1 3.94Å; W64-F99 HydrophobicContact CB-CE1 3.63Å; W64-F99 HydrophobicContact CB-CZ 4.06Å
65H95.5Very high93.7Very high95 Ų9576.6 Ų76.644%0.4439%0.391SS..  trans-146.6163.317056.295.3000109.4D67 I68H65-D67 IonicContact CE1-OD2 3.2Å; H65-D67 IonicContact ND1-OD2 2.65Å; H65-D67 PolarHBondContact ND1-OD2 3.4Å; H65-D67 PolarHBondContact O-N 2.92Å; H65-D67 VanDerWaalsContact O-N 3.1Å; H65-I68 WeakPolarHBondContact O-CB 3.33Å; H65-I68 PolarHBondContact O-N 3.42Å
66E94.8Very high94.6Very high143 Ų14373 Ų7367%0.66838%0.376SS*.G310 helixtrans-56.2-31.4-172.2-67.8177.1-155.600113.7W64 I68 G69 L88W64-E66 HydrophobicContact CH2-CG 4.02Å; W64-E66 HydrophobicContact CZ3-CG 4.3Å; E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.44Å; E66-G69 PolarHBondContact O-N 3.39Å; E66-L88 HydrophobicContact CG-CD1 4.05Å
67D95.4Very high95.2Very high149 Ų14973.5 Ų73.580%0.79738%0.38SS*.G310 helixtrans-68.7-20.6179.7-48.7-56.6000113.9H65 G69H65-D67 IonicContact CE1-OD2 3.2Å; H65-D67 IonicContact ND1-OD2 2.65Å; H65-D67 PolarHBondContact ND1-OD2 3.4Å; H65-D67 PolarHBondContact O-N 2.92Å; H65-D67 VanDerWaalsContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.29Å
68I94Very high95.3Very high45 Ų4572.8 Ų72.823%0.23138%0.38CS..G310 helixtrans-71.7-31.9173.2-56.9-175.7000109.9H65 E66 V71 F99 E101H65-I68 WeakPolarHBondContact O-CB 3.33Å; H65-I68 PolarHBondContact O-N 3.42Å; E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.44Å; I68-V71 HydrophobicContact CG2-CG1 3.62Å; I68-F99 HydrophobicContact CD1-CE2 4.15Å; I68-F99 HydrophobicContact CD1-CZ 4.03Å; I68-E101 HydrophobicContact CG2-CG 3.81Å
69G93.1Very high95.3Very high17 Ų1779.7 Ų79.718%0.17541%0.407CS..  trans76.1-157.3-177.400000113.6W64 E66 D67W64-G69 PolarHBondContact NE1-O 2.85Å; E66-G69 PolarHBondContact O-N 3.39Å; D67-G69 VanDerWaalsContact C-N 3.29Å
70P95.4Very high95.1Very high76 Ų7680.6 Ų80.649%0.49441%0.411SS..SBendtrans-63.7137.8179.7-22.134000112.5G85 T86 L102P70-G85 WeakPolarHBondContact CA-O 3.35Å; P70-T86 HydrophobicContact CB-CG2 4.47Å; P70-T86 HydrophobicContact CG-CG2 4.24Å; P70-L102 HydrophobicContact CB-CD1 4.39Å
71V96.8Very high95Very high1 Ų181.5 Ų81.51%0.00642%0.422CS..EExtended strand (participates in β ladder)trans-138171.1-178-63.20000110.4I68 W73 G85 F99 T100 E101I68-V71 HydrophobicContact CG2-CG1 3.62Å; V71-W73 HydrophobicContact CG2-CD2 4.2Å; V71-W73 VanDerWaalsContact CG2-CE2 3.4Å; V71-W73 HydrophobicContact CG2-CG 4.37Å; V71-W73 HydrophobicContact CG2-CZ2 3.66Å; V71-G85 PolarHBondContact N-O 3.31Å; V71-G85 PolarHBondContact O-N 2.99Å; V71-G85 VanDerWaalsContact O-N 3.09Å; V71-F99 HydrophobicContact CB-CB 4.24Å; V71-F99 HydrophobicContact CB-CD2 4.06Å; V71-F99 HydrophobicContact CG1-CD2 3.96Å; V71-F99 HydrophobicContact CG1-CE2 4.48Å; V71-F99 HydrophobicContact CG2-CB 3.61Å; V71-F99 HydrophobicContact CG2-CD2 3.99Å; V71-F99 HydrophobicContact CG2-CG 4.03Å; V71-T100 WeakPolarHBondContact CB-O 3.34Å; V71-E101 HydrophobicContact CG1-CG 4.43Å
72L96.5Very high95Very high45 Ų4581.6 Ų81.624%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-89.4122.2168.7-63.7176.4000109.6W74 P82 Y83 C84 F99 T100 L102L72-W74 HydrophobicContact CB-CZ2 4.25Å; L72-W74 HydrophobicContact CD1-CZ2 4.16Å; L72-W74 VanDerWaalsContact O-CD1 3.27Å; L72-W74 PolarHBondContact O-NE1 3.49Å; L72-P82 HydrophobicContact CB-CB 4.12Å; L72-P82 HydrophobicContact CD2-CB 4.48Å; L72-P82 HydrophobicContact CD2-CG 4.27Å; L72-Y83 CarbonylContact C-O 3.36Å; L72-Y83 WeakPolarHBondContact CA-O 3.46Å; L72-C84 HydrophobicContact CD2-CB 3.93Å; L72-F99 CarbonylContact O-C 3.55Å; L72-F99 WeakPolarHBondContact O-CA 3.18Å; L72-T100 PolarHBondContact N-O 2.91Å; L72-T100 PolarHBondContact O-N 3.49Å; L72-L102 HydrophobicContact CD1-CD2 4.06Å; L72-L102 HydrophobicContact CD2-CD2 3.95Å; L72-L102 HydrophobicContact CG-CD2 3.64Å; L72-L102 HydrophobicContact CG-CG 4.45Å
73W97.4Very high95.1Very high2 Ų275.5 Ų75.51%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-100.2125.3-178.8-7091.2000111.6A61 W64 V71 P82 Y83 G85 P87 F92 K96 H98 F99A61-W73 HydrophobicContact CB-CH2 4.36Å; A61-W73 HydrophobicContact CB-CZ3 3.71Å; W64-W73 HydrophobicContact CB-CH2 3.68Å; W64-W73 HydrophobicContact CB-CZ2 4.03Å; W64-W73 AromaticContact CD1-CZ2 3.68Å; W64-W73 HydrophobicContact CD2-CH2 4.39Å; W64-W73 HydrophobicContact CD2-CZ2 4.01Å; W64-W73 AromaticContact CG-CH2 3.8Å; W64-W73 HydrophobicContact CG-CH2 3.8Å; W64-W73 AromaticContact CG-CZ2 3.61Å; W64-W73 HydrophobicContact CG-CZ2 3.61Å; V71-W73 HydrophobicContact CG2-CD2 4.2Å; V71-W73 VanDerWaalsContact CG2-CE2 3.4Å; V71-W73 HydrophobicContact CG2-CG 4.37Å; V71-W73 HydrophobicContact CG2-CZ2 3.66Å; W73-P82 CarbonylContact O-C 3.49Å; W73-P82 WeakPolarHBondContact O-CA 3.47Å; W73-P82 VanDerWaalsContact O-CB 3.3Å; W73-P82 WeakPolarHBondContact O-CB 3.39Å; W73-Y83 AromaticContact CD1-CD1 3.99Å; W73-Y83 PolarHBondContact N-O 3.49Å; W73-Y83 PolarHBondContact O-N 3.13Å; W73-G85 PolarHBondContact NE1-O 3.02Å; W73-P87 HydrophobicContact CH2-CG 3.44Å; W73-P87 VanDerWaalsContact CH2-CG 3.44Å; W73-P87 HydrophobicContact CZ2-CG 3.15Å; W73-P87 HydrophobicContact CZ3-CG 4.35Å; W73-F92 HydrophobicContact CB-CE2 4.31Å; W73-F92 AromaticContact CD1-CE2 3.83Å; W73-F92 AromaticContact CD2-CE2 3.6Å; W73-F92 HydrophobicContact CD2-CE2 3.6Å; W73-F92 AromaticContact CD2-CZ 3.82Å; W73-F92 HydrophobicContact CD2-CZ 3.82Å; W73-F92 AromaticContact CE2-CE2 3.84Å; W73-F92 HydrophobicContact CE3-CE2 4.12Å; W73-F92 AromaticContact CE3-CZ 3.84Å; W73-F92 HydrophobicContact CE3-CZ 3.84Å; W73-F92 AromaticContact CG-CE2 3.65Å; W73-F92 HydrophobicContact CG-CE2 3.65Å; W73-F92 HydrophobicContact CG-CZ 4.26Å; W73-F92 HydrophobicContact CZ3-CZ 4.25Å; W73-F92 AromaticContact NE1-CE2 3.87Å; W73-K96 HydrophobicContact CB-CB 3.88Å; W73-K96 HydrophobicContact CB-CD 4.45Å; W73-K96 HydrophobicContact CB-CG 3.9Å; W73-K96 HydrophobicContact CE3-CB 4.25Å; W73-K96 WeakPolarHBondContact O-CE 3.3Å; W73-H98 CarbonylContact C-O 3.35Å; W73-H98 WeakPolarHBondContact CA-O 3.19Å; W73-F99 HydrophobicContact CD2-CB 4.09Å; W73-F99 HydrophobicContact CE3-CB 4Å; W73-F99 HydrophobicContact CH2-CB 4.26Å; W73-F99 HydrophobicContact CH2-CD1 4.17Å; W73-F99 HydrophobicContact CH2-CG 4.47Å; W73-F99 HydrophobicContact CZ2-CB 4.31Å; W73-F99 HydrophobicContact CZ3-CB 4.12Å; W73-F99 HydrophobicContact CZ3-CD1 4.32Å
74W96.7Very high95.1Very high56 Ų5673.2 Ų73.221%0.21239%0.389CS..EExtended strand (participates in β ladder)trans-113.2149.5-174.4-54.790.9000111L72 F76 V78 P82 T97 H98 T100L72-W74 HydrophobicContact CB-CZ2 4.25Å; L72-W74 HydrophobicContact CD1-CZ2 4.16Å; L72-W74 VanDerWaalsContact O-CD1 3.27Å; L72-W74 PolarHBondContact O-NE1 3.49Å; W74-F76 HydrophobicContact CB-CD2 4.38Å; W74-F76 HydrophobicContact CB-CE2 3.72Å; W74-F76 HydrophobicContact CB-CZ 3.93Å; W74-F76 HydrophobicContact CG-CE2 4.43Å; W74-F76 HydrophobicContact CG-CZ 4.27Å; W74-V78 HydrophobicContact CE3-CG2 4.3Å; W74-P82 HydrophobicContact CD2-CB 3.84Å; W74-P82 HydrophobicContact CE3-CB 3.82Å; W74-P82 HydrophobicContact CE3-CG 4.22Å; W74-P82 HydrophobicContact CH2-CB 3.94Å; W74-P82 HydrophobicContact CH2-CG 3.53Å; W74-P82 HydrophobicContact CZ2-CB 3.95Å; W74-P82 HydrophobicContact CZ2-CG 3.85Å; W74-P82 HydrophobicContact CZ3-CB 3.87Å; W74-P82 HydrophobicContact CZ3-CG 3.73Å; W74-T97 PolarHBondContact O-N 2.91Å; W74-H98 HydrophobicContact CB-CB 4.34Å; W74-H98 PolarHBondContact N-O 3.07Å; W74-H98 PolarHBondContact O-N 3.37Å; W74-H98 VanDerWaalsContact O-N 3.11Å; W74-T100 PolarHBondContact NE1-OG1 3.02Å
75D94.8Very high95Very high57 Ų5772 Ų7231%0.30539%0.386SS..  trans-121.9147.5158.6-171.731000107.9P77 Y95 K96 T97D75-P77 CarbonylContact O-C 3.46Å; D75-Y95 HydrophobicContact CB-CD2 4.25Å; D75-K96 HydrophobicContact CB-CD 4.11Å; D75-T97 PolarHBondContact OD1-OG1 3.25Å
76F93.3Very high95Very high102 Ų10268.5 Ų68.545%0.44737%0.372SS..SBendtrans-124.4132-175.2-70-75.9000110.4A58 W74 V78 H98A58-F76 HydrophobicContact CB-CE2 3.86Å; A58-F76 HydrophobicContact CB-CZ 4Å; W74-F76 HydrophobicContact CB-CD2 4.38Å; W74-F76 HydrophobicContact CB-CE2 3.72Å; W74-F76 HydrophobicContact CB-CZ 3.93Å; W74-F76 HydrophobicContact CG-CE2 4.43Å; W74-F76 HydrophobicContact CG-CZ 4.27Å; F76-V78 HydrophobicContact CD1-CG2 3.79Å; F76-V78 HydrophobicContact CE1-CG2 3.71Å; F76-H98 HydrophobicContact CD2-CB 4.26Å; F76-H98 AromaticContact CD2-CG 3.97Å; F76-H98 AromaticContact CD2-ND1 3.79Å; F76-H98 HydrophobicContact CE2-CB 3.83Å; F76-H98 AromaticContact CE2-CG 3.9Å
77P93.8Very high95Very high95 Ų9563.9 Ų63.962%0.61735%0.354SS*.SBendcis-67.5154.91.831-36.4000113.2D75 E79D75-P77 CarbonylContact O-C 3.46Å; P77-E79 PolarHBondContact O-N 3.36Å
78V92.3Very high95Very high82 Ų8262.2 Ų62.250%0.49735%0.345SS..  trans-74101.5-177.1-177.40000109.6W74 F76W74-V78 HydrophobicContact CE3-CG2 4.3Å; F76-V78 HydrophobicContact CD1-CG2 3.79Å; F76-V78 HydrophobicContact CE1-CG2 3.71Å
79E93.8Very high95.1Very high177 Ų17762.9 Ų62.983%0.82735%0.349SS*.  trans-101.8-21.4176.4-63.6-171.9172.300113P77P77-E79 PolarHBondContact O-N 3.36Å
80E93.4Very high95.2Very high81 Ų8170.3 Ų70.338%0.37939%0.385SS..SBendtrans-140.3161.3-177.758.5168.4-154.100110.7Y95 K96E80-Y95 VanDerWaalsContact CD-OH 3.25Å; E80-Y95 WeakPolarHBondContact OE1-CE2 3.43Å; E80-Y95 VanDerWaalsContact OE1-CZ 3.24Å; E80-Y95 PolarHBondContact OE1-OH 2.91Å; E80-Y95 PolarHBondContact OE2-OH 2.85Å; E80-K96 WeakPolarHBondContact OE1-CE 3.41Å; E80-K96 IonicContact OE1-NZ 2.8Å; E80-K96 PolarHBondContact OE1-NZ 3.09Å
81P94.7Very high95.1Very high106 Ų10673.5 Ų73.569%0.68840%0.398SS*.PPolyproline II helixtrans-58.1154.1174.623.9-34.8000112.3K96P81-K96 PolarHBondContact O-NZ 3.02Å
82P95.3Very high95.1Very high39 Ų3975 Ų7525%0.25340%0.404SS..PPolyproline II helixtrans-64.9148.4174.129.8-36.1000110.8L72 W73 W74L72-P82 HydrophobicContact CB-CB 4.12Å; L72-P82 HydrophobicContact CD2-CB 4.48Å; L72-P82 HydrophobicContact CD2-CG 4.27Å; W73-P82 CarbonylContact O-C 3.49Å; W73-P82 WeakPolarHBondContact O-CA 3.47Å; W73-P82 VanDerWaalsContact O-CB 3.3Å; W73-P82 WeakPolarHBondContact O-CB 3.39Å; W74-P82 HydrophobicContact CD2-CB 3.84Å; W74-P82 HydrophobicContact CE3-CB 3.82Å; W74-P82 HydrophobicContact CE3-CG 4.22Å; W74-P82 HydrophobicContact CH2-CB 3.94Å; W74-P82 HydrophobicContact CH2-CG 3.53Å; W74-P82 HydrophobicContact CZ2-CB 3.95Å; W74-P82 HydrophobicContact CZ2-CG 3.85Å; W74-P82 HydrophobicContact CZ3-CB 3.87Å; W74-P82 HydrophobicContact CZ3-CG 3.73Å
83Y96.3Very high95Very high56 Ų5674 Ų7422%0.2240%0.401CS..EExtended strand (participates in β ladder)trans-81.4133.2169.2176.4-91.8000109.1L72 W73 D89 F92 P93L72-Y83 CarbonylContact C-O 3.36Å; L72-Y83 WeakPolarHBondContact CA-O 3.46Å; W73-Y83 AromaticContact CD1-CD1 3.99Å; W73-Y83 PolarHBondContact N-O 3.49Å; W73-Y83 PolarHBondContact O-N 3.13Å; Y83-D89 VanDerWaalsContact OH-CB 3.27Å; Y83-D89 WeakPolarHBondContact OH-CB 3.4Å; Y83-D89 PolarHBondContact OH-OD2 2.88Å; Y83-D89 VanDerWaalsContact OH-OD2 3.09Å; Y83-F92 AromaticContact CD1-CD2 3.89Å; Y83-F92 HydrophobicContact CD1-CD2 3.89Å; Y83-F92 HydrophobicContact CD1-CE2 4.25Å; Y83-F92 AromaticContact CE1-CD2 3.82Å; Y83-F92 HydrophobicContact CE1-CD2 3.82Å; Y83-P93 HydrophobicContact CD2-CG 3.92Å; Y83-P93 HydrophobicContact CG-CG 4.12Å
84C96.3Very high94.8Very high79 Ų7983.3 Ų83.353%0.53444%0.441SS..EExtended strand (participates in β ladder)trans-102.6117.8176.2-1760000109L72L72-C84 HydrophobicContact CD2-CB 3.93Å
85G96Very high94.7Very high8 Ų886.1 Ų86.18%0.08245%0.452CS..EExtended strand (participates in β ladder)trans154.9-151.4-177.800000113.3P70 V71 W73 D89P70-G85 WeakPolarHBondContact CA-O 3.35Å; V71-G85 PolarHBondContact N-O 3.31Å; V71-G85 PolarHBondContact O-N 2.99Å; V71-G85 VanDerWaalsContact O-N 3.09Å; W73-G85 PolarHBondContact NE1-O 3.02Å; G85-D89 WeakPolarHBondContact CA-OD2 3.19Å
86T95.8Very high94.7Very high23 Ų2383.8 Ų83.814%0.14144%0.44CS..  trans-123.6156.9-179.580.60000111.7W64 P70 L88 D89 F92W64-T86 HydrophobicContact CZ2-CG2 4.03Å; P70-T86 HydrophobicContact CB-CG2 4.47Å; P70-T86 HydrophobicContact CG-CG2 4.24Å; T86-L88 PolarHBondContact O-N 2.81Å; T86-L88 VanDerWaalsContact O-N 3.12Å; T86-L88 PolarHBondContact OG1-N 3.09Å; T86-D89 PolarHBondContact N-OD2 3.15Å; T86-D89 WeakPolarHBondContact O-CB 3.44Å; T86-D89 VanDerWaalsContact O-CG 3.23Å; T86-D89 PolarHBondContact O-N 3.2Å; T86-D89 PolarHBondContact OG1-OD1 3.09Å; T86-F92 WeakPolarHBondContact O-CD2 3.47Å
87P94.5Very high94.9Very high45 Ų4581.8 Ų81.829%0.29244%0.436SS..THydrogen-bonded Turntrans-63.6-11.7172.2-24.137000114.8W64 W73 D89 F92W64-P87 HydrophobicContact CD2-CG 4.04Å; W64-P87 HydrophobicContact CE3-CG 3.83Å; W64-P87 HydrophobicContact CZ3-CG 4.09Å; W73-P87 HydrophobicContact CH2-CG 3.44Å; W73-P87 VanDerWaalsContact CH2-CG 3.44Å; W73-P87 HydrophobicContact CZ2-CG 3.15Å; W73-P87 HydrophobicContact CZ3-CG 4.35Å; P87-D89 VanDerWaalsContact C-N 3.35Å; P87-F92 HydrophobicContact CB-CD1 4.25Å; P87-F92 HydrophobicContact CB-CE1 4.05Å; P87-F92 HydrophobicContact CB-CE2 4.42Å; P87-F92 HydrophobicContact CB-CZ 4.14Å; P87-F92 HydrophobicContact CG-CE2 4.32Å; P87-F92 HydrophobicContact CG-CZ 4.15Å
88L94.5Very high95Very high114 Ų11479.5 Ų79.560%0.59742%0.417SS*.THydrogen-bonded Turntrans-86.9-9.1179.2-55.8179.1000112.3W64 E66 T86W64-L88 HydrophobicContact CH2-CD1 4.42Å; W64-L88 HydrophobicContact CH2-CG 4.4Å; E66-L88 HydrophobicContact CG-CD1 4.05Å; T86-L88 PolarHBondContact O-N 2.81Å; T86-L88 VanDerWaalsContact O-N 3.12Å; T86-L88 PolarHBondContact OG1-N 3.09Å
89D95.7Very high95.3Very high59 Ų5975.7 Ų75.732%0.31639%0.393SS..SBendtrans-69.9139.1179.5-57.6-16.1000110.1Y83 G85 T86 P87 D91 F92Y83-D89 VanDerWaalsContact OH-CB 3.27Å; Y83-D89 WeakPolarHBondContact OH-CB 3.4Å; Y83-D89 PolarHBondContact OH-OD2 2.88Å; Y83-D89 VanDerWaalsContact OH-OD2 3.09Å; G85-D89 WeakPolarHBondContact CA-OD2 3.19Å; T86-D89 PolarHBondContact N-OD2 3.15Å; T86-D89 WeakPolarHBondContact O-CB 3.44Å; T86-D89 VanDerWaalsContact O-CG 3.23Å; T86-D89 PolarHBondContact O-N 3.2Å; T86-D89 PolarHBondContact OG1-OD1 3.09Å; P87-D89 VanDerWaalsContact C-N 3.35Å; D89-D91 PolarHBondContact O-N 3.1Å; D89-F92 HydrophobicContact CB-CB 4.43Å; D89-F92 WeakPolarHBondContact O-CB 3.43Å; D89-F92 PolarHBondContact O-N 3.04Å
90D95.3Very high95.3Very high173 Ų17367.8 Ų67.893%0.92536%0.357SS*.THydrogen-bonded Turntrans-58.8-35-177-73.7-32000112.6F92D90-F92 VanDerWaalsContact C-N 3.33Å
91D95Very high95.4Very high144 Ų14468.5 Ų68.577%0.7736%0.361SS*.THydrogen-bonded Turntrans-91.813.3-179.7-66.1-38.5000113D89 P93D89-D91 PolarHBondContact O-N 3.1Å; D91-P93 VanDerWaalsContact O-CD 3.3Å; D91-P93 WeakPolarHBondContact O-CD 3.36Å
92F95.3Very high95.2Very high32 Ų3267.6 Ų67.614%0.1435%0.35CS..  trans-62.7122.1-177.1179.9-105.4000112.3W73 Y83 T86 P87 D89 D90 K94 K96W73-F92 HydrophobicContact CB-CE2 4.31Å; W73-F92 AromaticContact CD1-CE2 3.83Å; W73-F92 AromaticContact CD2-CE2 3.6Å; W73-F92 HydrophobicContact CD2-CE2 3.6Å; W73-F92 AromaticContact CD2-CZ 3.82Å; W73-F92 HydrophobicContact CD2-CZ 3.82Å; W73-F92 AromaticContact CE2-CE2 3.84Å; W73-F92 HydrophobicContact CE3-CE2 4.12Å; W73-F92 AromaticContact CE3-CZ 3.84Å; W73-F92 HydrophobicContact CE3-CZ 3.84Å; W73-F92 AromaticContact CG-CE2 3.65Å; W73-F92 HydrophobicContact CG-CE2 3.65Å; W73-F92 HydrophobicContact CG-CZ 4.26Å; W73-F92 HydrophobicContact CZ3-CZ 4.25Å; W73-F92 AromaticContact NE1-CE2 3.87Å; Y83-F92 AromaticContact CD1-CD2 3.89Å; Y83-F92 HydrophobicContact CD1-CD2 3.89Å; Y83-F92 HydrophobicContact CD1-CE2 4.25Å; Y83-F92 AromaticContact CE1-CD2 3.82Å; Y83-F92 HydrophobicContact CE1-CD2 3.82Å; T86-F92 WeakPolarHBondContact O-CD2 3.47Å; P87-F92 HydrophobicContact CB-CD1 4.25Å; P87-F92 HydrophobicContact CB-CE1 4.05Å; P87-F92 HydrophobicContact CB-CE2 4.42Å; P87-F92 HydrophobicContact CB-CZ 4.14Å; P87-F92 HydrophobicContact CG-CE2 4.32Å; P87-F92 HydrophobicContact CG-CZ 4.15Å; D89-F92 HydrophobicContact CB-CB 4.43Å; D89-F92 WeakPolarHBondContact O-CB 3.43Å; D89-F92 PolarHBondContact O-N 3.04Å; D90-F92 VanDerWaalsContact C-N 3.33Å; F92-K94 PolarHBondContact O-N 3.44Å; F92-K94 VanDerWaalsContact O-N 3.08Å; F92-K96 HydrophobicContact CZ-CB 4.24Å
93P94.9Very high94.7Very high25 Ų2572.1 Ų72.116%0.16237%0.367CS..  trans-73.3105.6177.9-10.625.5000111.2Y83 D91 Y95 K96Y83-P93 HydrophobicContact CD2-CG 3.92Å; Y83-P93 HydrophobicContact CG-CG 4.12Å; D91-P93 VanDerWaalsContact O-CD 3.3Å; D91-P93 WeakPolarHBondContact O-CD 3.36Å; P93-Y95 HydrophobicContact CB-CD1 4.07Å; P93-Y95 HydrophobicContact CB-CE1 3.45Å; P93-Y95 VanDerWaalsContact CB-CE1 3.45Å; P93-Y95 HydrophobicContact CB-CE2 4.35Å; P93-Y95 PolarHBondContact O-N 3.2Å; P93-K96 HydrophobicContact CB-CG 4.15Å; P93-K96 WeakPolarHBondContact O-CG 3.48Å; P93-K96 PolarHBondContact O-N 2.93Å
94K93.3Very high94.1Very high197 Ų19776.8 Ų76.886%0.85739%0.394SS*.THydrogen-bonded Turntrans-61.1-14.7-173.6-62.9-175.2-179.8-179.50115.9F92F92-K94 PolarHBondContact O-N 3.44Å; F92-K94 VanDerWaalsContact O-N 3.08Å
95Y94.7Very high93.5Very high114 Ų11477.3 Ų77.345%0.44740%0.397SS..THydrogen-bonded Turntrans-84.8-7.4178.459.1-93.6000113.1D75 E80 P93 T97D75-Y95 HydrophobicContact CB-CD2 4.25Å; E80-Y95 VanDerWaalsContact CD-OH 3.25Å; E80-Y95 WeakPolarHBondContact OE1-CE2 3.43Å; E80-Y95 VanDerWaalsContact OE1-CZ 3.24Å; E80-Y95 PolarHBondContact OE1-OH 2.91Å; E80-Y95 PolarHBondContact OE2-OH 2.85Å; P93-Y95 HydrophobicContact CB-CD1 4.07Å; P93-Y95 HydrophobicContact CB-CE1 3.45Å; P93-Y95 VanDerWaalsContact CB-CE1 3.45Å; P93-Y95 HydrophobicContact CB-CE2 4.35Å; P93-Y95 PolarHBondContact O-N 3.2Å; Y95-T97 PolarHBondContact O-N 3.11Å
96K95.4Very high92.8Very high9 Ų985.1 Ų85.14%0.03944%0.437CS..  trans-66.9126173.9-60.6-61.5-163.5-175.20110W73 D75 E80 P81 F92 P93W73-K96 HydrophobicContact CB-CB 3.88Å; W73-K96 HydrophobicContact CB-CD 4.45Å; W73-K96 HydrophobicContact CB-CG 3.9Å; W73-K96 HydrophobicContact CE3-CB 4.25Å; W73-K96 WeakPolarHBondContact O-CE 3.3Å; D75-K96 HydrophobicContact CB-CD 4.11Å; E80-K96 WeakPolarHBondContact OE1-CE 3.41Å; E80-K96 IonicContact OE1-NZ 2.8Å; E80-K96 PolarHBondContact OE1-NZ 3.09Å; P81-K96 PolarHBondContact O-NZ 3.02Å; F92-K96 HydrophobicContact CZ-CB 4.24Å; P93-K96 HydrophobicContact CB-CG 4.15Å; P93-K96 WeakPolarHBondContact O-CG 3.48Å; P93-K96 PolarHBondContact O-N 2.93Å
97T95.8Very high92.2Very high60 Ų6092.4 Ų92.437%0.36847%0.469SS..  trans-109.2-18.1-171.351.90000113.8A61 W74 D75 Y95A61-T97 WeakPolarHBondContact CB-O 3.35Å; A61-T97 PolarHBondContact N-O 2.85Å; W74-T97 PolarHBondContact O-N 2.91Å; D75-T97 PolarHBondContact OD1-OG1 3.25Å; Y95-T97 PolarHBondContact O-N 3.11Å
98H97.2Very high91.8Very high46 Ų4696.1 Ų96.121%0.21349%0.49CS..EExtended strand (participates in β ladder)trans-134.5160.2-176-64.372.4000111.7A58 H59 L60 W73 W74 F76A58-H98 HydrophobicContact CB-CB 3.97Å; H59-H98 CarbonylContact O-C 3.36Å; H59-H98 WeakPolarHBondContact O-CA 3.49Å; H59-H98 WeakPolarHBondContact O-CB 3.47Å; L60-H98 WeakPolarHBondContact CD2-NE2 3.39Å; W73-H98 CarbonylContact C-O 3.35Å; W73-H98 WeakPolarHBondContact CA-O 3.19Å; W74-H98 HydrophobicContact CB-CB 4.34Å; W74-H98 PolarHBondContact N-O 3.07Å; W74-H98 PolarHBondContact O-N 3.37Å; W74-H98 VanDerWaalsContact O-N 3.11Å; F76-H98 HydrophobicContact CD2-CB 4.26Å; F76-H98 AromaticContact CD2-CG 3.97Å; F76-H98 AromaticContact CD2-ND1 3.79Å; F76-H98 HydrophobicContact CE2-CB 3.83Å; F76-H98 AromaticContact CE2-CG 3.9Å
99F97.1Very high91.3Very high2 Ų299.5 Ų99.51%0.00950%0.503CS..EExtended strand (participates in β ladder)trans-138.7158.3174.173.9-88.7000113.2A58 H59 L60 K63 W64 I68 V71 L72 W73 E101A58-F99 CarbonylContact C-O 3.56Å; A58-F99 VanDerWaalsContact CA-O 3.3Å; A58-F99 WeakPolarHBondContact CA-O 3.42Å; H59-F99 HydrophobicContact CB-CD1 4.12Å; H59-F99 HydrophobicContact CB-CE1 3.66Å; H59-F99 HydrophobicContact CB-CE2 4.14Å; H59-F99 HydrophobicContact CB-CZ 3.68Å; H59-F99 PolarHBondContact N-O 3.02Å; H59-F99 PolarHBondContact O-N 3.31Å; L60-F99 VanDerWaalsContact O-CE1 3.26Å; L60-F99 WeakPolarHBondContact O-CE1 3.27Å; K63-F99 HydrophobicContact CB-CE1 3.94Å; K63-F99 HydrophobicContact CB-CZ 4.12Å; W64-F99 HydrophobicContact CB-CD1 3.94Å; W64-F99 HydrophobicContact CB-CE1 3.63Å; W64-F99 HydrophobicContact CB-CZ 4.06Å; I68-F99 HydrophobicContact CD1-CE2 4.15Å; I68-F99 HydrophobicContact CD1-CZ 4.03Å; V71-F99 HydrophobicContact CB-CB 4.24Å; V71-F99 HydrophobicContact CB-CD2 4.06Å; V71-F99 HydrophobicContact CG1-CD2 3.96Å; V71-F99 HydrophobicContact CG1-CE2 4.48Å; V71-F99 HydrophobicContact CG2-CB 3.61Å; V71-F99 HydrophobicContact CG2-CD2 3.99Å; V71-F99 HydrophobicContact CG2-CG 4.03Å; L72-F99 CarbonylContact O-C 3.55Å; L72-F99 WeakPolarHBondContact O-CA 3.18Å; W73-F99 HydrophobicContact CD2-CB 4.09Å; W73-F99 HydrophobicContact CE3-CB 4Å; W73-F99 HydrophobicContact CH2-CB 4.26Å; W73-F99 HydrophobicContact CH2-CD1 4.17Å; W73-F99 HydrophobicContact CH2-CG 4.47Å; W73-F99 HydrophobicContact CZ2-CB 4.31Å; W73-F99 HydrophobicContact CZ3-CB 4.12Å; W73-F99 HydrophobicContact CZ3-CD1 4.32Å; F99-E101 HydrophobicContact CE2-CG 4.42Å
100T95.7Very high90.6Very high12 Ų12102.3 Ų102.37%0.07451%0.514CS..EExtended strand (participates in β ladder)trans-129.9137.6166.855.80000109.3V56 A58 V71 L72 W74V56-T100 HydrophobicContact CG1-CG2 3.6Å; A58-T100 HydrophobicContact CB-CG2 3.94Å; V71-T100 WeakPolarHBondContact CB-O 3.34Å; L72-T100 PolarHBondContact N-O 2.91Å; L72-T100 PolarHBondContact O-N 3.49Å; W74-T100 PolarHBondContact NE1-OG1 3.02Å
101E94.3Very high90Very high96 Ų96102.1 Ų102.145%0.44951%0.508SS..EExtended strand (participates in β ladder)trans-63150.1177.7-68178.7-141.700112.3I68 V71 F99I68-E101 HydrophobicContact CG2-CG 3.81Å; V71-E101 HydrophobicContact CG1-CG 4.43Å; F99-E101 HydrophobicContact CE2-CG 4.42Å
102L91Very high89.3Confident87 Ų8798 Ų9846%0.45549%0.489SS..  trans-85.6115173.1-72.3171.5000109.2P70 L72P70-L102 HydrophobicContact CB-CD1 4.39Å; L72-L102 HydrophobicContact CD1-CD2 4.06Å; L72-L102 HydrophobicContact CD2-CD2 3.95Å; L72-L102 HydrophobicContact CG-CD2 3.64Å; L72-L102 HydrophobicContact CG-CG 4.45Å
103H85.2Confident88.8Confident133 Ų133102.1 Ų102.162%0.61650%0.504SS*.PPolyproline II helixtrans-90.4132.9173.6-65-70.2000110.6
104I83Confident88.3Confident155 Ų155103 Ų10380%0.79550%0.504SS*.PPolyproline II helixtrans-65.9130.7170.3-60.4174.9000107.4
105P84Confident87.7Confident90 Ų9095.8 Ų95.858%0.58447%0.473SS*.PPolyproline II helixtrans-65.2136.9177.827.9-34.6000110.7E107P105-E107 VanDerWaalsContact C-N 3.3Å
106D80.3Confident86.7Confident172 Ų17290.5 Ų90.592%0.9245%0.452SS*.SBendtrans-69.9-29.8178.6-63.6-52.1000112.5
107E85.1Confident85.6Confident176 Ų17691.5 Ų91.582%0.82246%0.458SS*.  trans-123.4138.9179.8-65.4-179.3-164.800109.9P105P105-E107 VanDerWaalsContact C-N 3.3Å
108V85.4Confident84.3Confident122 Ų12289 Ų8974%0.73944%0.442SS*.  trans-113.8131.8174.8-179.60000107.8E110V108-E110 PolarHBondContact O-N 3.46Å
109E82.9Confident82.8Confident185 Ų18591.2 Ų91.286%0.86446%0.46SS*.PPolyproline II helixtrans-60.8120.7172.8-174.9173.7-16400109.3
110E81.8Confident81.1Confident118 Ų11892.7 Ų92.755%0.55147%0.468SS*.PPolyproline II helixtrans-70.6133.2177.9-64.8-161176.600110.6V108 R113V108-E110 PolarHBondContact O-N 3.46Å; E110-R113 VanDerWaalsContact CD-NH2 3.35Å; E110-R113 IonicContact OE1-NH2 2.77Å; E110-R113 IonicContact OE2-CZ 2.71Å; E110-R113 IonicContact OE2-NE 3.32Å; E110-R113 PolarHBondContact OE2-NE 2.93Å; E110-R113 IonicContact OE2-NH2 3.52Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å
111E83.3Confident79.4Confident170 Ų17098.5 Ų98.579%0.79451%0.506SS*.PPolyproline II helixtrans-60.1136.7173.1-68.7-17116900110.5R113E111-R113 WeakPolarHBondContact O-CG 3.38Å; E111-R113 PolarHBondContact O-N 3.49Å; E111-R113 VanDerWaalsContact O-N 3.12Å
112P80.8Confident77.7Confident57 Ų57102.7 Ų102.737%0.3753%0.526SS..PPolyproline II helixtrans-56.9118.6177.4-27.735.7000112.2R147 F148P112-R147 HydrophobicContact CB-CB 3.27Å; P112-R147 HydrophobicContact CB-CG 4.3Å; P112-R147 HydrophobicContact CG-CB 3.96Å; P112-F148 CarbonylContact C-O 3.54Å; P112-F148 WeakPolarHBondContact CA-O 3.46Å
113R84.7Confident76.1Confident118 Ų118100.3 Ų100.345%0.44552%0.516SS..  trans-90.7-9.3-174.1-57.8-174.3-169.9-173.43.9114.1E110 E111 F148 K168 V169E110-R113 VanDerWaalsContact CD-NH2 3.35Å; E110-R113 IonicContact OE1-NH2 2.77Å; E110-R113 IonicContact OE2-CZ 2.71Å; E110-R113 IonicContact OE2-NE 3.32Å; E110-R113 PolarHBondContact OE2-NE 2.93Å; E110-R113 IonicContact OE2-NH2 3.52Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å; E111-R113 WeakPolarHBondContact O-CG 3.38Å; E111-R113 PolarHBondContact O-N 3.49Å; E111-R113 VanDerWaalsContact O-N 3.12Å; R113-F148 PolarHBondContact N-O 3.27Å; R113-K168 CarbonylContact O-C 3.54Å; R113-K168 VanDerWaalsContact O-CA 3.26Å; R113-K168 WeakPolarHBondContact O-CA 3.48Å; R113-K168 VanDerWaalsContact O-CG 3.26Å; R113-K168 WeakPolarHBondContact O-CG 3.46Å; R113-V169 PolarHBondContact O-N 3.34Å
114Y82.6Confident74.6Confident43 Ų43104.2 Ų104.217%0.16953%0.532CS..EExtended strand (participates in β ladder)trans-131.5147.1-176.3-59.7-85.6000110.6R147 F148 S150 E151 V166 E167 K168Y114-R147 CarbonylContact O-C 3.53Å; Y114-R147 WeakPolarHBondContact O-CA 3.3Å; Y114-F148 PolarHBondContact N-O 3.36Å; Y114-F148 PolarHBondContact O-N 3.14Å; Y114-S150 VanDerWaalsContact CD2-C 3.46Å; Y114-E151 HydrophobicContact CD1-CB 4.07Å; Y114-E151 HydrophobicContact CD1-CG 4.02Å; Y114-E151 HydrophobicContact CD2-CB 4.35Å; Y114-E151 HydrophobicContact CE1-CB 3.76Å; Y114-E151 HydrophobicContact CE1-CG 3.83Å; Y114-E151 HydrophobicContact CE2-CB 4.06Å; Y114-E151 HydrophobicContact CG-CB 4.36Å; Y114-V166 HydrophobicContact CD1-CG1 3.89Å; Y114-V166 HydrophobicContact CG-CG1 4.36Å; Y114-E167 CarbonylContact C-O 3.34Å; Y114-E167 WeakPolarHBondContact CA-O 3.12Å; Y114-K168 HydrophobicContact CD1-CB 4.26Å; Y114-K168 HydrophobicContact CD1-CG 4.37Å; Y114-K168 HydrophobicContact CE1-CB 4.17Å; Y114-K168 HydrophobicContact CE1-CD 4.47Å; Y114-K168 HydrophobicContact CE1-CG 4.05Å
115K81.6Confident73.2Confident47 Ų47103.7 Ų103.720%0.20453%0.53CS..EExtended strand (participates in β ladder)trans-132.2147172.261.7-178176.9178.10109.5L128 V145 M146 E167 V169K115-L128 HydrophobicContact CD-CD2 4.21Å; K115-V145 HydrophobicContact CB-CG1 4.12Å; K115-M146 VanDerWaalsContact CA-O 3.25Å; K115-M146 WeakPolarHBondContact CA-O 3.3Å; K115-E167 VanDerWaalsContact CE-CD 3.43Å; K115-E167 WeakPolarHBondContact CE-OE2 3.1Å; K115-E167 HydrophobicContact CG-CB 4.21Å; K115-E167 PolarHBondContact N-O 3.48Å; K115-E167 IonicContact NZ-OE1 2.71Å; K115-E167 IonicContact NZ-OE2 3.72Å; K115-E167 PolarHBondContact NZ-OE2 3.42Å; K115-E167 PolarHBondContact O-N 2.9Å; K115-V169 HydrophobicContact CB-CG2 4.03Å; K115-V169 HydrophobicContact CD-CG2 4.09Å; K115-V169 HydrophobicContact CG-CG2 3.96Å
116V74.2Confident71.7Confident2 Ų2100.2 Ų100.21%0.01251%0.511CS..EExtended strand (participates in β ladder)trans-97.3116.3175.7172.90000109.2L128 M146 F148 A154 I157 V158 V166V116-L128 WeakPolarHBondContact O-CD1 3.29Å; V116-M146 PolarHBondContact N-O 2.87Å; V116-F148 HydrophobicContact CB-CE2 4.28Å; V116-F148 HydrophobicContact CG2-CD2 4.07Å; V116-F148 HydrophobicContact CG2-CE2 3.53Å; V116-F148 HydrophobicContact CG2-CZ 4.42Å; V116-A154 HydrophobicContact CG2-CB 3.84Å; V116-A154 WeakPolarHBondContact CG2-O 3.12Å; V116-I157 HydrophobicContact CG2-CB 4.44Å; V116-I157 HydrophobicContact CG2-CG2 4.36Å; V116-V158 HydrophobicContact CB-CG2 4.43Å; V116-V158 HydrophobicContact CG1-CG2 3.6Å; V116-V158 HydrophobicContact CG2-CG2 4.02Å; V116-V166 HydrophobicContact CG2-CG2 4.37Å
117I72.8Confident70.4Confident30 Ų3094.9 Ų94.915%0.15448%0.482CS..EExtended strand (participates in β ladder)trans-92.6125.4175.2-61.6179.2000109.5L128 G164 T165 E167I117-L128 HydrophobicContact CB-CD1 4.21Å; I117-L128 HydrophobicContact CG1-CD1 3.62Å; I117-G164 CarbonylContact O-C 3.5Å; I117-G164 WeakPolarHBondContact O-CA 3.39Å; I117-T165 PolarHBondContact N-O 2.89Å; I117-T165 PolarHBondContact O-N 3.08Å; I117-E167 HydrophobicContact CD1-CB 3.89Å; I117-E167 HydrophobicContact CD1-CG 4.48Å; I117-E167 WeakPolarHBondContact CD1-OE2 3.4Å; I117-E167 HydrophobicContact CG1-CB 4.45Å
118M68Low68.9Low9 Ų988.4 Ų88.44%0.04445%0.453CS..EExtended strand (participates in β ladder)trans-96.5137.8171.7-65.1-98.7-67.600110N120 G126 N127 L129 L141 I161 C163M118-N120 PolarHBondContact O-N 2.84Å; M118-N120 VanDerWaalsContact O-N 3.07Å; M118-G126 CarbonylContact O-C 3.57Å; M118-G126 VanDerWaalsContact O-CA 3.23Å; M118-G126 WeakPolarHBondContact O-CA 3.41Å; M118-N127 WeakPolarHBondContact CB-O 3.48Å; M118-N127 PolarHBondContact N-O 3.26Å; M118-N127 PolarHBondContact O-N 3.12Å; M118-L129 HydrophobicContact CB-CD1 4.22Å; M118-L129 HydrophobicContact CE-CD1 4.21Å; M118-L129 HydrophobicContact CG-CB 4.29Å; M118-L141 HydrophobicContact CE-CD1 3.56Å; M118-L141 HydrophobicContact CE-CD2 3.79Å; M118-L141 HydrophobicContact CE-CG 4.34Å; M118-I161 HydrophobicContact CE-CG2 3.77Å; M118-I161 HydrophobicContact SD-CB 4.45Å; M118-I161 HydrophobicContact SD-CD1 4.26Å; M118-I161 HydrophobicContact SD-CG2 3.76Å; M118-C163 VanDerWaalsContact CE-SG 3.56Å; M118-C163 PolarHBondContact SD-SG 3.13Å
119P64.3Low67.4Low91 Ų9184.2 Ų84.259%0.59143%0.426SS*.  trans-64.2114.2170.826.8-32.9000108.7
120N63.2Low66.2Low34 Ų3476.9 Ų76.918%0.18239%0.394CS..  trans-100.7117.9168.717317.5000108.1M118 Q122 S123 N127M118-N120 PolarHBondContact O-N 2.84Å; M118-N120 VanDerWaalsContact O-N 3.07Å; N120-Q122 PolarHBondContact O-N 3.07Å; N120-Q122 PolarHBondContact OD1-N 2.92Å; N120-S123 WeakPolarHBondContact ND2-CB 3.48Å; N120-S123 PolarHBondContact ND2-N 2.86Å; N120-S123 PolarHBondContact O-N 2.9Å; N120-N127 HydrophobicContact CB-CB 3.75Å; N120-N127 PolarHBondContact ND2-ND2 2.96Å; N120-N127 PolarHBondContact ND2-OD1 3.01Å
121P59.5Low65.1Low134 Ų13473.5 Ų73.587%0.8738%0.38SS*.THydrogen-bonded Turntrans-59.5-17.7177.622-31.4000113.7
122Q58.2Low63.9Low183 Ų18373 Ų7386%0.85537%0.371SS*.THydrogen-bonded Turntrans-96.4-8.1176.9-59.6-169.2-0.700114.7N120N120-Q122 PolarHBondContact O-N 3.07Å; N120-Q122 PolarHBondContact OD1-N 2.92Å
123S57.5Low62.7Low37 Ų3779.2 Ų79.226%0.25939%0.387SS..  trans-120.6120.2177.6173.60000109.7N120 N125 G126 N127N120-S123 WeakPolarHBondContact ND2-CB 3.48Å; N120-S123 PolarHBondContact ND2-N 2.86Å; N120-S123 PolarHBondContact O-N 2.9Å; S123-N125 PolarHBondContact O-N 3.25Å; S123-N125 PolarHBondContact OG-N 2.85Å; S123-G126 WeakPolarHBondContact CB-O 3.47Å; S123-G126 PolarHBondContact O-N 2.99Å; S123-G126 PolarHBondContact OG-O 2.98Å; S123-N127 WeakPolarHBondContact CB-OD1 3.24Å
124K54.1Low61.5Low216 Ų21677.3 Ų77.394%0.93939%0.385SS*.THydrogen-bonded Turntrans-58.9-16.1175.7-72-172.7176.2-177.60113.3
125N54Low60.7Low143 Ų14385.2 Ų85.277%0.76542%0.424SS*.THydrogen-bonded Turntrans-111.713.2-178.8-64.21.6000112.8S123S123-N125 PolarHBondContact O-N 3.25Å; S123-N125 PolarHBondContact OG-N 2.85Å
126G51.8Low59.9Low17 Ų1794.2 Ų94.218%0.17546%0.456CS..  trans69.9166.2-168.800000112.2M118 S123M118-G126 CarbonylContact O-C 3.57Å; M118-G126 VanDerWaalsContact O-CA 3.23Å; M118-G126 WeakPolarHBondContact O-CA 3.41Å; S123-G126 WeakPolarHBondContact CB-O 3.47Å; S123-G126 PolarHBondContact O-N 2.99Å; S123-G126 PolarHBondContact OG-O 2.98Å
127N53.3Low59.3Low60 Ų6095.6 Ų95.632%0.32147%0.471SS..EExtended strand (participates in β ladder)trans-110.9137.7164.6-7712.8000107.7M118 N120 S123 L129M118-N127 WeakPolarHBondContact CB-O 3.48Å; M118-N127 PolarHBondContact N-O 3.26Å; M118-N127 PolarHBondContact O-N 3.12Å; N120-N127 HydrophobicContact CB-CB 3.75Å; N120-N127 PolarHBondContact ND2-ND2 2.96Å; N120-N127 PolarHBondContact ND2-OD1 3.01Å; S123-N127 WeakPolarHBondContact CB-OD1 3.24Å; N127-L129 HydrophobicContact CB-CD2 4.46Å; N127-L129 HydrophobicContact CB-CG 4.2Å; N127-L129 PolarHBondContact O-N 3.21Å
128L52.4Low58.4Low41 Ų4198 Ų9822%0.21549%0.488CS..EExtended strand (participates in β ladder)trans-69.8123.1162.8-110.632.3000107.9K115 V116 I117 G143 E144 V145K115-L128 HydrophobicContact CD-CD2 4.21Å; V116-L128 WeakPolarHBondContact O-CD1 3.29Å; I117-L128 HydrophobicContact CB-CD1 4.21Å; I117-L128 HydrophobicContact CG1-CD1 3.62Å; L128-G143 CarbonylContact O-C 3.55Å; L128-G143 VanDerWaalsContact O-C 3.28Å; L128-E144 CarbonylContact C-O 3.47Å; L128-V145 HydrophobicContact CB-CB 4.21Å; L128-V145 HydrophobicContact CB-CG1 4.48Å; L128-V145 HydrophobicContact CB-CG2 3.89Å; L128-V145 HydrophobicContact CD2-CB 3.6Å; L128-V145 HydrophobicContact CD2-CG1 3.17Å; L128-V145 HydrophobicContact CD2-CG2 3.31Å; L128-V145 HydrophobicContact CG-CB 3.79Å; L128-V145 HydrophobicContact CG-CG1 3.53Å; L128-V145 HydrophobicContact CG-CG2 3.81Å
129L53.8Low57.9Low33 Ų33103.1 Ų103.117%0.17351%0.514CS..  trans-128.8125.6178.7-63.9165.5000111.5M118 N127 L141 S142 E144M118-L129 HydrophobicContact CB-CD1 4.22Å; M118-L129 HydrophobicContact CE-CD1 4.21Å; M118-L129 HydrophobicContact CG-CB 4.29Å; N127-L129 HydrophobicContact CB-CD2 4.46Å; N127-L129 HydrophobicContact CB-CG 4.2Å; N127-L129 PolarHBondContact O-N 3.21Å; L129-L141 HydrophobicContact CB-CB 4.02Å; L129-L141 HydrophobicContact CB-CD2 3.92Å; L129-L141 HydrophobicContact CB-CG 4.46Å; L129-L141 HydrophobicContact CD1-CB 3.96Å; L129-L141 HydrophobicContact CD1-CD1 3.93Å; L129-L141 HydrophobicContact CD1-CG 4.35Å; L129-L141 HydrophobicContact CD2-CB 4.14Å; L129-L141 HydrophobicContact CG-CB 4.25Å; L129-S142 CarbonylContact C-O 3.41Å; L129-S142 WeakPolarHBondContact CA-O 3.36Å; L129-E144 CarbonylContact C-O 3.6Å; L129-E144 WeakPolarHBondContact CA-O 2.83Å; L129-E144 PolarHBondContact N-O 2.82Å
130V57.7Low57.7Low31 Ų3199.8 Ų99.819%0.18850%0.496CS..EExtended strand (participates in β ladder)trans-87.5128.1166.9-179.40000109.7R132 L141 S142 E144 M146V130-R132 PolarHBondContact O-N 3.18Å; V130-L141 CarbonylContact O-C 3.2Å; V130-S142 PolarHBondContact N-O 2.89Å; V130-S142 WeakPolarHBondContact O-CB 3.38Å; V130-S142 PolarHBondContact O-N 2.76Å; V130-E144 HydrophobicContact CB-CB 4.15Å; V130-E144 VanDerWaalsContact CG2-C 3.47Å; V130-E144 HydrophobicContact CG2-CB 3.37Å; V130-E144 WeakPolarHBondContact CG2-O 3.23Å; V130-E144 PolarHBondContact N-O 3.14Å; V130-E144 VanDerWaalsContact N-O 3.17Å; V130-M146 HydrophobicContact CB-CE 4.32Å; V130-M146 HydrophobicContact CB-CG 4.09Å; V130-M146 HydrophobicContact CG1-CE 3.95Å; V130-M146 HydrophobicContact CG1-CG 4.18Å; V130-M146 HydrophobicContact CG2-CG 3.69Å
131L59.9Low57.6Low47 Ų47102.4 Ų102.425%0.24651%0.509CS..EExtended strand (participates in β ladder)trans-61.4102.4160.9-63.6173.5000108.9I139 G140 L141 M146 I161L131-I139 HydrophobicContact CB-CG2 3.7Å; L131-I139 HydrophobicContact CD1-CG2 4.48Å; L131-I139 HydrophobicContact CD2-CG2 3.51Å; L131-I139 HydrophobicContact CG-CG2 4.08Å; L131-G140 CarbonylContact C-O 3.43Å; L131-G140 WeakPolarHBondContact CA-O 3.33Å; L131-L141 HydrophobicContact CD2-CD2 3.58Å; L131-L141 HydrophobicContact CG-CD2 4.43Å; L131-M146 HydrophobicContact CB-CE 3.53Å; L131-M146 HydrophobicContact CD1-CE 4.13Å; L131-M146 HydrophobicContact CG-CE 3.72Å; L131-I161 HydrophobicContact CD1-CD1 3.73Å; L131-I161 HydrophobicContact CD1-CG1 3.73Å; L131-I161 HydrophobicContact CD2-CD1 3.98Å; L131-I161 HydrophobicContact CD2-CG1 4.04Å; L131-I161 HydrophobicContact CG-CD1 3.77Å; L131-I161 HydrophobicContact CG-CG1 4.14Å
132R57Low57.7Low160 Ų16097.4 Ų97.460%0.60448%0.477SS*.EExtended strand (participates in β ladder)trans-101.7129.2173.9-167.5176.4-175.4-177.33.6109.2V130 N134 G140V130-R132 PolarHBondContact O-N 3.18Å; R132-N134 PolarHBondContact O-N 3.35Å; R132-G140 PolarHBondContact N-O 3.34Å; R132-G140 PolarHBondContact O-N 3.25Å
133R56Low57.7Low188 Ų18891.8 Ų91.871%0.70947%0.469SS*.EExtended strand (participates in β ladder)trans-79.2119168.8-158.3174.2-168176.7-1.9108.9G137 T138R133-G137 PolarHBondContact NE-O 3Å; R133-T138 WeakPolarHBondContact CA-O 3.41Å
134N59.1Low57.9Low77 Ų7796 Ų9641%0.41249%0.485SS..PPolyproline II helixtrans-74.1163.2176.6-60.9-19.9000109.7R132 R136 G137 T138R132-N134 PolarHBondContact O-N 3.35Å; N134-R136 PolarHBondContact O-N 3.23Å; N134-G137 PolarHBondContact O-N 3.36Å; N134-T138 PolarHBondContact N-O 3Å
135Q65.4Low58.3Low210 Ų21088 Ų8898%0.98145%0.454SS*.THydrogen-bonded Turntrans-54.9-20.7176.5-68.2-177.2-5.900113.6G137Q135-G137 VanDerWaalsContact C-N 3.3Å
136R64.9Low59Low235 Ų23582.6 Ų82.689%0.88742%0.424SS*.THydrogen-bonded Turntrans-855.4175.3-65.4-175-179.9-172.1-0114.4N134 T138N134-R136 PolarHBondContact O-N 3.23Å; R136-T138 PolarHBondContact O-N 3.07Å
137G62.9Low60.2Low31 Ų3188.6 Ų88.632%0.3244%0.442SS..SBendtrans77.6-4.5-179.500000115.3R133 N134 Q135R133-G137 PolarHBondContact NE-O 3Å; N134-G137 PolarHBondContact O-N 3.36Å; Q135-G137 VanDerWaalsContact C-N 3.3Å
138T54.1Low61.5Low82 Ų8287.2 Ų87.250%0.50343%0.433SS..  trans-77.1141.2175.2500000111.4R133 N134 R136R133-T138 WeakPolarHBondContact CA-O 3.41Å; N134-T138 PolarHBondContact N-O 3Å; R136-T138 PolarHBondContact O-N 3.07Å
139I57.7Low63Low116 Ų11689.1 Ų89.160%0.59544%0.443SS*.EExtended strand (participates in β ladder)trans-85.7119.9174.9-57.9172.9000107.6L131L131-I139 HydrophobicContact CB-CG2 3.7Å; L131-I139 HydrophobicContact CD1-CG2 4.48Å; L131-I139 HydrophobicContact CD2-CG2 3.51Å; L131-I139 HydrophobicContact CG-CG2 4.08Å
140G59.8Low64.5Low21 Ų2189.1 Ų89.122%0.21645%0.446CS..EExtended strand (participates in β ladder)trans-113.8161172.300000110.9L131 R132L131-G140 CarbonylContact C-O 3.43Å; L131-G140 WeakPolarHBondContact CA-O 3.33Å; R132-G140 PolarHBondContact N-O 3.34Å; R132-G140 PolarHBondContact O-N 3.25Å
141L61.1Low66Low89 Ų8992.3 Ų92.347%0.46646%0.459SS..EExtended strand (participates in β ladder)trans-92.6126.2173.4-67168.8000109.2M118 L129 V130 L131M118-L141 HydrophobicContact CE-CD1 3.56Å; M118-L141 HydrophobicContact CE-CD2 3.79Å; M118-L141 HydrophobicContact CE-CG 4.34Å; L129-L141 HydrophobicContact CB-CB 4.02Å; L129-L141 HydrophobicContact CB-CD2 3.92Å; L129-L141 HydrophobicContact CB-CG 4.46Å; L129-L141 HydrophobicContact CD1-CB 3.96Å; L129-L141 HydrophobicContact CD1-CD1 3.93Å; L129-L141 HydrophobicContact CD1-CG 4.35Å; L129-L141 HydrophobicContact CD2-CB 4.14Å; L129-L141 HydrophobicContact CG-CB 4.25Å; V130-L141 CarbonylContact O-C 3.2Å; L131-L141 HydrophobicContact CD2-CD2 3.58Å; L131-L141 HydrophobicContact CG-CD2 4.43Å
142S61.6Low67.3Low28 Ų2896.2 Ų96.220%0.19648%0.48CS..EExtended strand (participates in β ladder)trans-112141.2179.1177.60000109.3L129 V130 E144L129-S142 CarbonylContact C-O 3.41Å; L129-S142 WeakPolarHBondContact CA-O 3.36Å; V130-S142 PolarHBondContact N-O 2.89Å; V130-S142 WeakPolarHBondContact O-CB 3.38Å; V130-S142 PolarHBondContact O-N 2.76Å; S142-E144 PolarHBondContact O-N 3.49Å
143G58.4Low68.7Low66 Ų6693.5 Ų93.568%0.6847%0.473SS*.SBendtrans-62.411.7-176.700000118L128L128-G143 CarbonylContact O-C 3.55Å; L128-G143 VanDerWaalsContact O-C 3.28Å
144E59.8Low70Confident125 Ų12584.6 Ų84.658%0.58444%0.439SS*.SBendtrans-84.5162.6-179.9-76.8177160.900111.8L128 L129 V130 S142L128-E144 CarbonylContact C-O 3.47Å; L129-E144 CarbonylContact C-O 3.6Å; L129-E144 WeakPolarHBondContact CA-O 2.83Å; L129-E144 PolarHBondContact N-O 2.82Å; V130-E144 HydrophobicContact CB-CB 4.15Å; V130-E144 VanDerWaalsContact CG2-C 3.47Å; V130-E144 HydrophobicContact CG2-CB 3.37Å; V130-E144 WeakPolarHBondContact CG2-O 3.23Å; V130-E144 PolarHBondContact N-O 3.14Å; V130-E144 VanDerWaalsContact N-O 3.17Å; S142-E144 PolarHBondContact O-N 3.49Å
145V64.5Low71.2Confident49 Ų4983.8 Ų83.830%0.29744%0.435SS..  trans-92.2112.7-177.9-177.30000109.7K115 L128 R147K115-V145 HydrophobicContact CB-CG1 4.12Å; L128-V145 HydrophobicContact CB-CB 4.21Å; L128-V145 HydrophobicContact CB-CG1 4.48Å; L128-V145 HydrophobicContact CB-CG2 3.89Å; L128-V145 HydrophobicContact CD2-CB 3.6Å; L128-V145 HydrophobicContact CD2-CG1 3.17Å; L128-V145 HydrophobicContact CD2-CG2 3.31Å; L128-V145 HydrophobicContact CG-CB 3.79Å; L128-V145 HydrophobicContact CG-CG1 3.53Å; L128-V145 HydrophobicContact CG-CG2 3.81Å; V145-R147 HydrophobicContact CG1-CG 3.71Å; V145-R147 PolarHBondContact O-N 3.2Å
146M67.5Low72.1Confident29 Ų2976.5 Ų76.514%0.14341%0.41CS..  trans-73.6119.6164.9-71.9-156-164.500109.2K115 V116 V130 L131 F148 I157K115-M146 VanDerWaalsContact CA-O 3.25Å; K115-M146 WeakPolarHBondContact CA-O 3.3Å; V116-M146 PolarHBondContact N-O 2.87Å; V130-M146 HydrophobicContact CB-CE 4.32Å; V130-M146 HydrophobicContact CB-CG 4.09Å; V130-M146 HydrophobicContact CG1-CE 3.95Å; V130-M146 HydrophobicContact CG1-CG 4.18Å; V130-M146 HydrophobicContact CG2-CG 3.69Å; L131-M146 HydrophobicContact CB-CE 3.53Å; L131-M146 HydrophobicContact CD1-CE 4.13Å; L131-M146 HydrophobicContact CG-CE 3.72Å; M146-F148 HydrophobicContact CB-CE2 3.52Å; M146-F148 HydrophobicContact CB-CZ 3.77Å; M146-F148 HydrophobicContact CG-CE2 4.5Å; M146-F148 HydrophobicContact CG-CZ 4.31Å; M146-F148 HydrophobicContact SD-CE2 4.2Å; M146-F148 HydrophobicContact SD-CZ 3.56Å; M146-F148 VanDerWaalsContact SD-CZ 3.56Å; M146-I157 HydrophobicContact SD-CG2 4.03Å
147R77.7Confident72.8Confident143 Ų14367 Ų6754%0.5438%0.376SS..EExtended strand (participates in β ladder)trans-112.5147169.7-49.8-174.6170.497.2-4.7110.9P112 Y114 V145P112-R147 HydrophobicContact CB-CB 3.27Å; P112-R147 HydrophobicContact CB-CG 4.3Å; P112-R147 HydrophobicContact CG-CB 3.96Å; Y114-R147 CarbonylContact O-C 3.53Å; Y114-R147 WeakPolarHBondContact O-CA 3.3Å; V145-R147 HydrophobicContact CG1-CG 3.71Å; V145-R147 PolarHBondContact O-N 3.2Å
148F80.2Confident73.5Confident31 Ų3166.7 Ų66.714%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-132.4145.1-176.7-57.6-87.6000109.9P112 R113 Y114 V116 M146 K153 A154 I157P112-F148 CarbonylContact C-O 3.54Å; P112-F148 WeakPolarHBondContact CA-O 3.46Å; R113-F148 PolarHBondContact N-O 3.27Å; Y114-F148 PolarHBondContact N-O 3.36Å; Y114-F148 PolarHBondContact O-N 3.14Å; V116-F148 HydrophobicContact CB-CE2 4.28Å; V116-F148 HydrophobicContact CG2-CD2 4.07Å; V116-F148 HydrophobicContact CG2-CE2 3.53Å; V116-F148 HydrophobicContact CG2-CZ 4.42Å; M146-F148 HydrophobicContact CB-CE2 3.52Å; M146-F148 HydrophobicContact CB-CZ 3.77Å; M146-F148 HydrophobicContact CG-CE2 4.5Å; M146-F148 HydrophobicContact CG-CZ 4.31Å; M146-F148 HydrophobicContact SD-CE2 4.2Å; M146-F148 HydrophobicContact SD-CZ 3.56Å; M146-F148 VanDerWaalsContact SD-CZ 3.56Å; F148-K153 HydrophobicContact CB-CB 4.35Å; F148-K153 HydrophobicContact CD1-CB 3.81Å; F148-K153 HydrophobicContact CG-CB 4.36Å; F148-A154 HydrophobicContact CB-CB 4.15Å; F148-A154 HydrophobicContact CD2-CB 3.63Å; F148-A154 HydrophobicContact CE2-CB 4.29Å; F148-A154 HydrophobicContact CG-CB 3.98Å; F148-I157 HydrophobicContact CE1-CG1 3.8Å; F148-I157 HydrophobicContact CZ-CB 4.1Å; F148-I157 HydrophobicContact CZ-CG1 3.59Å; F148-I157 HydrophobicContact CZ-CG2 4.32Å
149D83.6Confident74.9Confident80 Ų8067.8 Ų67.843%0.42838%0.375SS..SBendtrans-72-30172.156.6-9.3000112K153D149-K153 VanDerWaalsContact OD1-CD 3.24Å; D149-K153 WeakPolarHBondContact OD1-CD 3.38Å; D149-K153 WeakPolarHBondContact OD1-CE 3.06Å; D149-K153 IonicContact OD1-NZ 3.7Å; D149-K153 PolarHBondContact OD1-NZ 3.48Å; D149-K153 IonicContact OD2-NZ 3.43Å; D149-K153 PolarHBondContact OD2-NZ 3.29Å
150S86.4Confident75.9Confident33 Ų3368.3 Ų68.323%0.23138%0.379CS..SBendtrans-124148179.3810000114.2Y114 D152 K153 A154Y114-S150 VanDerWaalsContact CD2-C 3.46Å; S150-D152 VanDerWaalsContact C-N 3.32Å; S150-D152 PolarHBondContact O-N 2.85Å; S150-K153 PolarHBondContact O-N 3.32Å; S150-K153 VanDerWaalsContact OG-CG 3.29Å; S150-K153 WeakPolarHBondContact OG-CG 3.11Å; S150-K153 PolarHBondContact OG-N 3.46Å; S150-A154 PolarHBondContact O-N 3.48Å
151E88Confident76.5Confident98 Ų9869 Ų6946%0.45838%0.377SS..Hα-helixtrans-63.9-38.9175.9-161.1-175.815700111.1Y114 K153 A154 N155 V166Y114-E151 HydrophobicContact CD1-CB 4.07Å; Y114-E151 HydrophobicContact CD1-CG 4.02Å; Y114-E151 HydrophobicContact CD2-CB 4.35Å; Y114-E151 HydrophobicContact CE1-CB 3.76Å; Y114-E151 HydrophobicContact CE1-CG 3.83Å; Y114-E151 HydrophobicContact CE2-CB 4.06Å; Y114-E151 HydrophobicContact CG-CB 4.36Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.03Å; E151-A154 CarbonylContact O-C 3.58Å; E151-A154 WeakPolarHBondContact O-CB 3.35Å; E151-A154 PolarHBondContact O-N 3.41Å; E151-A154 VanDerWaalsContact O-N 3.13Å; E151-N155 WeakPolarHBondContact O-CB 3.3Å; E151-N155 PolarHBondContact O-N 2.87Å; E151-N155 PolarHBondContact O-ND2 3.36Å; E151-V166 HydrophobicContact CG-CG1 4.16Å
152D88.4Confident77.2Confident129 Ų12973.5 Ų73.569%0.6940%0.396SS*.Hα-helixtrans-60.1-41.5179.1-66.6-29.6000112.4S150 N155 A156S150-D152 VanDerWaalsContact C-N 3.32Å; S150-D152 PolarHBondContact O-N 2.85Å; D152-N155 PolarHBondContact O-N 2.64Å; D152-A156 WeakPolarHBondContact O-CB 3.26Å; D152-A156 PolarHBondContact O-N 3.46Å
153K84.8Confident77.6Confident104 Ų10474.4 Ų74.445%0.45240%0.402SS..Hα-helixtrans-66.2-41.2175.7-72.7177.6-162.6168.90111.1F148 D149 S150 E151 A156 I157F148-K153 HydrophobicContact CB-CB 4.35Å; F148-K153 HydrophobicContact CD1-CB 3.81Å; F148-K153 HydrophobicContact CG-CB 4.36Å; D149-K153 VanDerWaalsContact OD1-CD 3.24Å; D149-K153 WeakPolarHBondContact OD1-CD 3.38Å; D149-K153 WeakPolarHBondContact OD1-CE 3.06Å; D149-K153 IonicContact OD1-NZ 3.7Å; D149-K153 PolarHBondContact OD1-NZ 3.48Å; D149-K153 IonicContact OD2-NZ 3.43Å; D149-K153 PolarHBondContact OD2-NZ 3.29Å; S150-K153 PolarHBondContact O-N 3.32Å; S150-K153 VanDerWaalsContact OG-CG 3.29Å; S150-K153 WeakPolarHBondContact OG-CG 3.11Å; S150-K153 PolarHBondContact OG-N 3.46Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.03Å; K153-A156 PolarHBondContact O-N 3.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 3.13Å
154A84Confident78.5Confident0 Ų072.2 Ų72.20%038%0.379CS..Hα-helixtrans-63.9-43.417600000111.6V116 F148 S150 E151 A156 I157 V158 V166V116-A154 HydrophobicContact CG2-CB 3.84Å; V116-A154 WeakPolarHBondContact CG2-O 3.12Å; F148-A154 HydrophobicContact CB-CB 4.15Å; F148-A154 HydrophobicContact CD2-CB 3.63Å; F148-A154 HydrophobicContact CE2-CB 4.29Å; F148-A154 HydrophobicContact CG-CB 3.98Å; S150-A154 PolarHBondContact O-N 3.48Å; E151-A154 CarbonylContact O-C 3.58Å; E151-A154 WeakPolarHBondContact O-CB 3.35Å; E151-A154 PolarHBondContact O-N 3.41Å; E151-A154 VanDerWaalsContact O-N 3.13Å; A154-A156 PolarHBondContact O-N 2.78Å; A154-I157 PolarHBondContact O-N 3.22Å; A154-V158 PolarHBondContact O-N 2.78Å; A154-V166 HydrophobicContact CB-CB 4.26Å; A154-V166 HydrophobicContact CB-CG1 3.59Å; A154-V166 HydrophobicContact CB-CG2 3.6Å
155N84.8Confident79.5Confident61 Ų6170.4 Ų70.433%0.32638%0.376SS..Hα-helixtrans-64.9-37.9176.8-80.3-34.4000112.1E151 D152 I157 V158 T159 V166E151-N155 WeakPolarHBondContact O-CB 3.3Å; E151-N155 PolarHBondContact O-N 2.87Å; E151-N155 PolarHBondContact O-ND2 3.36Å; D152-N155 PolarHBondContact O-N 2.64Å; N155-I157 VanDerWaalsContact C-N 3.26Å; N155-I157 PolarHBondContact O-N 3.27Å; N155-V158 PolarHBondContact O-N 3.49Å; N155-T159 WeakPolarHBondContact O-CB 3.37Å; N155-T159 PolarHBondContact O-N 2.89Å; N155-T159 PolarHBondContact O-OG1 3Å; N155-V166 WeakPolarHBondContact OD1-CG2 3Å
156A84.3Confident80.3Confident57 Ų5769.7 Ų69.747%0.47137%0.372SS..Hα-helixtrans-61.1-37.2174.600000111.7D152 K153 A154 T159 L160D152-A156 WeakPolarHBondContact O-CB 3.26Å; D152-A156 PolarHBondContact O-N 3.46Å; K153-A156 PolarHBondContact O-N 3.27Å; A154-A156 PolarHBondContact O-N 2.78Å; A156-T159 PolarHBondContact O-N 2.76Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.77Å
157I79.3Confident81Confident34 Ų3472.5 Ų72.517%0.17439%0.385CS..Hα-helixtrans-71.4-44.4176.3-66.8-67000111.6V116 M146 F148 K153 A154 N155 T159 L160 I161V116-I157 HydrophobicContact CG2-CB 4.44Å; V116-I157 HydrophobicContact CG2-CG2 4.36Å; M146-I157 HydrophobicContact SD-CG2 4.03Å; F148-I157 HydrophobicContact CE1-CG1 3.8Å; F148-I157 HydrophobicContact CZ-CB 4.1Å; F148-I157 HydrophobicContact CZ-CG1 3.59Å; F148-I157 HydrophobicContact CZ-CG2 4.32Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 3.13Å; A154-I157 PolarHBondContact O-N 3.22Å; N155-I157 VanDerWaalsContact C-N 3.26Å; N155-I157 PolarHBondContact O-N 3.27Å; I157-T159 PolarHBondContact O-N 3.11Å; I157-L160 PolarHBondContact O-N 3.08Å; I157-L160 VanDerWaalsContact O-N 3.14Å; I157-I161 HydrophobicContact CG2-CD1 3.5Å; I157-I161 VanDerWaalsContact CG2-CD1 3.5Å; I157-I161 HydrophobicContact CG2-CG1 4.25Å; I157-I161 VanDerWaalsContact O-CG1 3.27Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.06Å
158V78.6Confident81.3Confident26 Ų2672.1 Ų72.116%0.15839%0.387CS..Hα-helixtrans-55.8-42.6172.2171.70000110.9V116 A154 N155 E162 C163 G164 V166V116-V158 HydrophobicContact CB-CG2 4.43Å; V116-V158 HydrophobicContact CG1-CG2 3.6Å; V116-V158 HydrophobicContact CG2-CG2 4.02Å; A154-V158 PolarHBondContact O-N 2.78Å; N155-V158 PolarHBondContact O-N 3.49Å; V158-E162 WeakPolarHBondContact O-CA 3.23Å; V158-E162 PolarHBondContact O-N 2.65Å; V158-C163 PolarHBondContact O-N 2.58Å; V158-G164 WeakPolarHBondContact CG1-O 3.4Å; V158-V166 HydrophobicContact CG2-CG2 3.78Å
159T83.5Confident81.3Confident104 Ų10476.1 Ų76.164%0.63841%0.414SS*.Hα-helixtrans-63.2-45.1176.5-53.60000111.6N155 A156 I157 I161 E162N155-T159 WeakPolarHBondContact O-CB 3.37Å; N155-T159 PolarHBondContact O-N 2.89Å; N155-T159 PolarHBondContact O-OG1 3Å; A156-T159 PolarHBondContact O-N 2.76Å; I157-T159 PolarHBondContact O-N 3.11Å; T159-I161 PolarHBondContact O-N 2.99Å; T159-E162 PolarHBondContact O-N 3.24Å
160L77.5Confident81.2Confident128 Ų12876 Ų7667%0.6741%0.413SS*.Hα-helixtrans-66.9-35.5-178.4-175.168.8000113.1A156 I157 E162A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.77Å; I157-L160 PolarHBondContact O-N 3.08Å; I157-L160 VanDerWaalsContact O-N 3.14Å; L160-E162 VanDerWaalsContact C-N 3.3Å
161I72Confident80.9Confident34 Ų3478.2 Ų78.217%0.17442%0.423CS..Hα-helixtrans-86.8-8.7178.9-50.9168.5000110.8M118 L131 I157 T159 C163M118-I161 HydrophobicContact CE-CG2 3.77Å; M118-I161 HydrophobicContact SD-CB 4.45Å; M118-I161 HydrophobicContact SD-CD1 4.26Å; M118-I161 HydrophobicContact SD-CG2 3.76Å; L131-I161 HydrophobicContact CD1-CD1 3.73Å; L131-I161 HydrophobicContact CD1-CG1 3.73Å; L131-I161 HydrophobicContact CD2-CD1 3.98Å; L131-I161 HydrophobicContact CD2-CG1 4.04Å; L131-I161 HydrophobicContact CG-CD1 3.77Å; L131-I161 HydrophobicContact CG-CG1 4.14Å; I157-I161 HydrophobicContact CG2-CD1 3.5Å; I157-I161 VanDerWaalsContact CG2-CD1 3.5Å; I157-I161 HydrophobicContact CG2-CG1 4.25Å; I157-I161 VanDerWaalsContact O-CG1 3.27Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.06Å; T159-I161 PolarHBondContact O-N 2.99Å; I161-C163 PolarHBondContact O-N 3.05Å; I161-C163 PolarHBondContact O-SG 2.93Å
162E76.9Confident80.5Confident184 Ų18477.1 Ų77.186%0.8642%0.421SS*.THydrogen-bonded Turntrans55.518.2-175.9-57.4-178.8161.600113.7V158 T159 L160V158-E162 WeakPolarHBondContact O-CA 3.23Å; V158-E162 PolarHBondContact O-N 2.65Å; T159-E162 PolarHBondContact O-N 3.24Å; L160-E162 VanDerWaalsContact C-N 3.3Å
163C69.8Low80.1Confident48 Ų4874.1 Ų74.132%0.32441%0.405SS..  trans-157.1160176.664.10000111.9M118 V158 I161M118-C163 VanDerWaalsContact CE-SG 3.56Å; M118-C163 PolarHBondContact SD-SG 3.13Å; V158-C163 PolarHBondContact O-N 2.58Å; I161-C163 PolarHBondContact O-N 3.05Å; I161-C163 PolarHBondContact O-SG 2.93Å
164G76.2Confident79.8Confident19 Ų1972.2 Ų72.220%0.19640%0.402CS..  trans107.3174.5-178.400000114I117 V158I117-G164 CarbonylContact O-C 3.5Å; I117-G164 WeakPolarHBondContact O-CA 3.39Å; V158-G164 WeakPolarHBondContact CG1-O 3.4Å
165T81.2Confident79.5Confident88 Ų8877 Ų7754%0.5443%0.429SS..EExtended strand (participates in β ladder)trans-135.9142.6176.454.10000109.2I117I117-T165 PolarHBondContact N-O 2.89Å; I117-T165 PolarHBondContact O-N 3.08Å
166V81.9Confident79.1Confident34 Ų3478.1 Ų78.121%0.20644%0.436CS..EExtended strand (participates in β ladder)trans-82.3132171.1-178.40000109Y114 V116 E151 A154 N155 V158Y114-V166 HydrophobicContact CD1-CG1 3.89Å; Y114-V166 HydrophobicContact CG-CG1 4.36Å; V116-V166 HydrophobicContact CG2-CG2 4.37Å; E151-V166 HydrophobicContact CG-CG1 4.16Å; A154-V166 HydrophobicContact CB-CB 4.26Å; A154-V166 HydrophobicContact CB-CG1 3.59Å; A154-V166 HydrophobicContact CB-CG2 3.6Å; N155-V166 WeakPolarHBondContact OD1-CG2 3Å; V158-V166 HydrophobicContact CG2-CG2 3.78Å
167E81.3Confident78.7Confident88 Ų8879.8 Ų79.841%0.41143%0.434SS..EExtended strand (participates in β ladder)trans-122141.8170-164.6-167.9168.700109.1Y114 K115 I117Y114-E167 CarbonylContact C-O 3.34Å; Y114-E167 WeakPolarHBondContact CA-O 3.12Å; K115-E167 VanDerWaalsContact CE-CD 3.43Å; K115-E167 WeakPolarHBondContact CE-OE2 3.1Å; K115-E167 HydrophobicContact CG-CB 4.21Å; K115-E167 PolarHBondContact N-O 3.48Å; K115-E167 IonicContact NZ-OE1 2.71Å; K115-E167 IonicContact NZ-OE2 3.72Å; K115-E167 PolarHBondContact NZ-OE2 3.42Å; K115-E167 PolarHBondContact O-N 2.9Å; I117-E167 HydrophobicContact CD1-CB 3.89Å; I117-E167 HydrophobicContact CD1-CG 4.48Å; I117-E167 WeakPolarHBondContact CD1-OE2 3.4Å; I117-E167 HydrophobicContact CG1-CB 4.45Å
168K84.7Confident78.7Confident134 Ų13483.6 Ų83.658%0.58346%0.455SS*.EExtended strand (participates in β ladder)trans-75.2135.1170.3-164.6177.2179.2178.60109.7R113 Y114R113-K168 CarbonylContact O-C 3.54Å; R113-K168 VanDerWaalsContact O-CA 3.26Å; R113-K168 WeakPolarHBondContact O-CA 3.48Å; R113-K168 VanDerWaalsContact O-CG 3.26Å; R113-K168 WeakPolarHBondContact O-CG 3.46Å; Y114-K168 HydrophobicContact CD1-CB 4.26Å; Y114-K168 HydrophobicContact CD1-CG 4.37Å; Y114-K168 HydrophobicContact CE1-CB 4.17Å; Y114-K168 HydrophobicContact CE1-CD 4.47Å; Y114-K168 HydrophobicContact CE1-CG 4.05Å
169V80.5Confident78.7Confident116 Ų11688.8 Ų88.870%0.70348%0.482SS*.  trans-78.30175.8-176.20000109.9R113 K115R113-V169 PolarHBondContact O-N 3.34Å; K115-V169 HydrophobicContact CB-CG2 4.03Å; K115-V169 HydrophobicContact CD-CG2 4.09Å; K115-V169 HydrophobicContact CG-CG2 3.96Å

Retrieved 169 of 169 residues in 113.2 ms (Link to these results)

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