A0A087YPS0_POEFO Loading...

Leucine rich repeat containing 10B

AlphaFold DB , UniProt , Accession A0A087YPS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1K38Very low52.2Low257 Ų257153.6 Ų153.6100%1.11775%0.745SS**  091.80-79.8-177.3174.2-177.70105.5V3K1-V3 PolarHBondContact O-N 3.34Å
2E35.7Very low54.7Low187 Ų187144.1 Ų144.187%0.87470%0.704SS**  trans-72.3113.5173.9-75174.7161.700106.9V4E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 2.96Å; E2-V4 VanDerWaalsContact O-N 3.12Å
3V40.8Very low56.8Low129 Ų129145.6 Ų145.678%0.78272%0.716SS**  trans-68.2100.9161.9179.20000103.7K1 E5K1-V3 PolarHBondContact O-N 3.34Å; V3-E5 VanDerWaalsContact C-N 3.28Å; V3-E5 PolarHBondContact O-N 3.41Å
4V43Very low58.7Low116 Ų116137.9 Ų137.970%0.70369%0.692SS**  trans-65.7102.1167179.60000104.1E2 E6E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 2.96Å; E2-V4 VanDerWaalsContact O-N 3.12Å; V4-E6 PolarHBondContact O-N 3.19Å
5E42.8Very low60.8Low167 Ų167128.7 Ų128.778%0.7865%0.646SS**  trans-50.6113.6168.9-72.4-178.8158.700106.5V3 E7V3-E5 VanDerWaalsContact C-N 3.28Å; V3-E5 PolarHBondContact O-N 3.41Å; E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 2.98Å
6E51.9Low62.5Low146 Ų146125.4 Ų125.468%0.68263%0.628SS**  trans-69.392.9176.3-66.2-167.7142.300106.4V4 E8V4-E6 PolarHBondContact O-N 3.19Å; E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.13Å
7E50.3Low64Low162 Ų162127.1 Ų127.176%0.75763%0.633SS**  trans-56.2105.5163.1-73.5-174.9163.600106.3E5 E9 R35E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 2.98Å; E7-E9 VanDerWaalsContact C-N 3.27Å; E7-E9 PolarHBondContact O-N 3.14Å; E7-R35 PolarHBondContact O-NH2 2.98Å
8E56.9Low65.5Low173 Ų173123.3 Ų123.381%0.80862%0.615SS**  trans-62.294.9167.6-74.1-172154.800106.2E6 E10E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.13Å; E8-E10 PolarHBondContact O-N 3.37Å
9E63.3Low66.8Low94 Ų94117.1 Ų117.144%0.43958%0.584SS.*PPolyproline II helixtrans-52.8124.2167.3-81.5-176.9155.500106.6E7 L11 K34E7-E9 VanDerWaalsContact C-N 3.27Å; E7-E9 PolarHBondContact O-N 3.14Å; E9-L11 PolarHBondContact O-N 3.36Å; E9-K34 IonicContact OE1-NZ 4Å; E9-K34 PolarHBondContact OE1-NZ 2.82Å
10E69.8Low68Low192 Ų192117.3 Ų117.390%0.89758%0.584SS**PPolyproline II helixtrans-47.1126176.8-81.7-173.1161.300109.9E8E8-E10 PolarHBondContact O-N 3.37Å
11L82.2Confident69.1Low67 Ų67114.3 Ų114.335%0.35157%0.574SS.*PPolyproline II helixtrans-61.9136.2-179-66178.2000109.7E9 V15 E16 L19 F33 P37E9-L11 PolarHBondContact O-N 3.36Å; L11-V15 HydrophobicContact CB-CB 4.33Å; L11-V15 HydrophobicContact CB-CG1 4.42Å; L11-V15 HydrophobicContact CD1-CG1 4.35Å; L11-V15 HydrophobicContact CD2-CG1 4.43Å; L11-E16 WeakPolarHBondContact CD1-OE2 3.42Å; L11-L19 HydrophobicContact CD1-CD1 4.26Å; L11-F33 HydrophobicContact CD2-CE1 4.28Å; L11-P37 HydrophobicContact CD2-CB 3.93Å; L11-P37 HydrophobicContact CD2-CG 3.37Å
12P82.4Confident71.7Confident39 Ų39104.3 Ų104.325%0.25354%0.544SS..PPolyproline II helixtrans-54146.7173.7-25.933.9000111.9G14 V15 R31 F33P12-G14 PolarHBondContact O-N 3.26Å; P12-V15 HydrophobicContact CB-CG2 3.98Å; P12-V15 HydrophobicContact CG-CG2 4.37Å; P12-V15 VanDerWaalsContact O-CB 3.3Å; P12-V15 WeakPolarHBondContact O-CB 3.48Å; P12-V15 VanDerWaalsContact O-CG2 3.23Å; P12-V15 WeakPolarHBondContact O-CG2 3.44Å; P12-V15 PolarHBondContact O-N 3.46Å; P12-V15 VanDerWaalsContact O-N 3.08Å; P12-R31 HydrophobicContact CG-CB 4.31Å; P12-F33 HydrophobicContact CG-CE1 3.98Å; P12-F33 HydrophobicContact CG-CZ 3.96Å
13L81.7Confident74.5Confident164 Ų164100 Ų10086%0.85953%0.527SS*.THydrogen-bonded Turntrans-50.3132.1-179.9-71.3164.8000112.4V15 R31L13-V15 VanDerWaalsContact C-N 3.31Å; L13-V15 PolarHBondContact O-N 3.04Å; L13-R31 PolarHBondContact O-NH1 3.02Å
14G83.8Confident77.1Confident38 Ų3896.5 Ų96.539%0.39251%0.507SS..THydrogen-bonded Turntrans82.1-3.5179.200000115.2P12 L18P12-G14 PolarHBondContact O-N 3.26Å; G14-L18 WeakPolarHBondContact O-CG 3.36Å; G14-L18 PolarHBondContact O-N 3.49Å
15V88.8Confident79.7Confident0 Ų094.1 Ų94.10%049%0.492CS..Hα-helixtrans-69-39176.3171.70000111.2L11 P12 L13 E17 L18 L19 L28 F33L11-V15 HydrophobicContact CB-CB 4.33Å; L11-V15 HydrophobicContact CB-CG1 4.42Å; L11-V15 HydrophobicContact CD1-CG1 4.35Å; L11-V15 HydrophobicContact CD2-CG1 4.43Å; P12-V15 HydrophobicContact CB-CG2 3.98Å; P12-V15 HydrophobicContact CG-CG2 4.37Å; P12-V15 VanDerWaalsContact O-CB 3.3Å; P12-V15 WeakPolarHBondContact O-CB 3.48Å; P12-V15 VanDerWaalsContact O-CG2 3.23Å; P12-V15 WeakPolarHBondContact O-CG2 3.44Å; P12-V15 PolarHBondContact O-N 3.46Å; P12-V15 VanDerWaalsContact O-N 3.08Å; L13-V15 VanDerWaalsContact C-N 3.31Å; L13-V15 PolarHBondContact O-N 3.04Å; V15-E17 PolarHBondContact O-N 2.98Å; V15-L18 WeakPolarHBondContact O-CB 3.34Å; V15-L18 PolarHBondContact O-N 2.64Å; V15-L18 VanDerWaalsContact O-N 3.14Å; V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.18Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 3.18Å; V15-L28 HydrophobicContact CG1-CD2 4.01Å; V15-L28 HydrophobicContact CG2-CD2 4.32Å; V15-F33 HydrophobicContact CG1-CZ 4.21Å; V15-F33 HydrophobicContact CG2-CE2 4.49Å; V15-F33 HydrophobicContact CG2-CZ 3.98Å
16E87.9Confident82.3Confident75 Ų7586.4 Ų86.435%0.3546%0.456SS..Hα-helixtrans-58.9-46.9-179.9-164.967.3-176.600112L11 L18 L19 E20 R39L11-E16 WeakPolarHBondContact CD1-OE2 3.42Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.17Å; E16-L19 PolarHBondContact O-N 2.91Å; E16-L19 VanDerWaalsContact O-N 3.13Å; E16-E20 WeakPolarHBondContact O-CG 3.23Å; E16-E20 PolarHBondContact O-N 2.86Å; E16-R39 IonicContact OE1-CZ 3.26Å; E16-R39 IonicContact OE1-NH1 2.67Å; E16-R39 PolarHBondContact OE1-NH1 3.46Å; E16-R39 IonicContact OE1-NH2 3.72Å; E16-R39 IonicContact OE2-NH1 3.65Å
17E88.6Confident84.5Confident154 Ų15483.4 Ų83.472%0.7245%0.445SS*.Hα-helixtrans-61.2-38.2176.7-173.5178.6-174.100112.1V15 E20 S21V15-E17 PolarHBondContact O-N 2.98Å; E17-E20 PolarHBondContact O-N 3.42Å; E17-S21 PolarHBondContact O-N 3.08Å
18L91.1Very high86.6Confident59 Ų5975.7 Ų75.731%0.30941%0.409SS..Hα-helixtrans-65.5-39.1175.7-69.1171.5000112G14 V15 E16 E20 S21 L26 L28G14-L18 WeakPolarHBondContact O-CG 3.36Å; G14-L18 PolarHBondContact O-N 3.49Å; V15-L18 WeakPolarHBondContact O-CB 3.34Å; V15-L18 PolarHBondContact O-N 2.64Å; V15-L18 VanDerWaalsContact O-N 3.14Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.17Å; L18-E20 VanDerWaalsContact C-N 3.26Å; L18-E20 PolarHBondContact O-N 3.26Å; L18-S21 WeakPolarHBondContact O-CB 3.3Å; L18-S21 PolarHBondContact O-N 2.74Å; L18-S21 PolarHBondContact O-OG 2.85Å; L18-L26 HydrophobicContact CB-CD1 3.8Å; L18-L28 HydrophobicContact CD1-CD2 4.46Å
19L90.4Very high88.5Confident6 Ų668.3 Ų68.33%0.03138%0.376CS..Hα-helixtrans-69-26.5176.6-63.3175.4000112.3L11 V15 E16 L26 R39 V40 L43L11-L19 HydrophobicContact CD1-CD1 4.26Å; V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.18Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 3.18Å; E16-L19 PolarHBondContact O-N 2.91Å; E16-L19 VanDerWaalsContact O-N 3.13Å; L19-L26 HydrophobicContact CD2-CD2 3.86Å; L19-R39 HydrophobicContact CD1-CB 4.47Å; L19-V40 HydrophobicContact CD2-CG2 3.68Å; L19-L43 HydrophobicContact CD2-CD1 3.81Å; L19-L43 WeakPolarHBondContact O-CD2 3.41Å
20E91.6Very high89.9Confident121 Ų12171.5 Ų71.557%0.56539%0.386SS*.Hα-helixtrans-91.8-9.8179.6-68.1-177.5168.900114E16 E17 L18 G22 R39E16-E20 WeakPolarHBondContact O-CG 3.23Å; E16-E20 PolarHBondContact O-N 2.86Å; E17-E20 PolarHBondContact O-N 3.42Å; L18-E20 VanDerWaalsContact C-N 3.26Å; L18-E20 PolarHBondContact O-N 3.26Å; E20-G22 PolarHBondContact O-N 3.34Å; E20-R39 IonicContact OE1-CZ 2.8Å; E20-R39 IonicContact OE1-NH2 2.98Å; E20-R39 PolarHBondContact OE1-NH2 3.4Å
21S91.2Very high91Very high55 Ų5566.8 Ų66.839%0.38536%0.36SS..SBendtrans-56.3-34.1-177.664.30000114.2E17 L18 D23E17-S21 PolarHBondContact O-N 3.08Å; L18-S21 WeakPolarHBondContact O-CB 3.3Å; L18-S21 PolarHBondContact O-N 2.74Å; L18-S21 PolarHBondContact O-OG 2.85Å; S21-D23 PolarHBondContact O-N 2.62Å; S21-D23 PolarHBondContact OG-N 3.34Å
22G90.7Very high91.4Very high47 Ų4770.6 Ų70.649%0.48537%0.373SS..  trans72.29-171.300000114E20 H45E20-G22 PolarHBondContact O-N 3.34Å; G22-H45 PolarHBondContact O-CD2 2.78Å
23D94.7Very high91.9Very high95 Ų9569.3 Ų69.351%0.50836%0.364SS..  trans-71.7142.5179.9-76.8-34.1000111.3S21 V25 H45 L46S21-D23 PolarHBondContact O-N 2.62Å; S21-D23 PolarHBondContact OG-N 3.34Å; D23-V25 PolarHBondContact O-N 2.88Å; D23-V25 VanDerWaalsContact O-N 3.07Å; D23-H45 PolarHBondContact O-CD2 3.15Å; D23-H45 PolarHBondContact O-NE2 2.79Å; D23-L46 WeakPolarHBondContact O-CD2 3.49Å
24P96.4Very high92.3Very high57 Ų5766.9 Ų66.937%0.3735%0.346SS..SBendtrans-70.6-3.4175.930.6-35.3000112.9E47 K48P24-E47 HydrophobicContact CB-CB 4.32Å; P24-E47 HydrophobicContact CB-CG 4.11Å; P24-E47 PolarHBondContact O-N 3.19Å; P24-K48 PolarHBondContact O-N 3.1Å
25V97.8Very high92.6Very high66 Ų6670.7 Ų70.740%0.435%0.349SS..EExtended strand (participates in β ladder)trans-123.4119.7-178.8-176.70000108.8D23 K48 Y50D23-V25 PolarHBondContact O-N 2.88Å; D23-V25 VanDerWaalsContact O-N 3.07Å; V25-K48 WeakPolarHBondContact CA-O 3.06Å; V25-K48 HydrophobicContact CB-CB 4.44Å; V25-K48 HydrophobicContact CG1-CB 4.14Å; V25-K48 HydrophobicContact CG2-CB 4.11Å; V25-K48 HydrophobicContact CG2-CD 4.01Å; V25-K48 HydrophobicContact CG2-CG 4.26Å; V25-Y50 HydrophobicContact CG1-CD2 4.29Å; V25-Y50 HydrophobicContact CG1-CE2 3.94Å
26L97.2Very high92.7Very high4 Ų471.2 Ų71.22%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-121.5125.4177.4177.261.8000110.4L18 L19 L28 V40 L43 L46 K48 L49 Y50L18-L26 HydrophobicContact CB-CD1 3.8Å; L19-L26 HydrophobicContact CD2-CD2 3.86Å; L26-L28 HydrophobicContact CD1-CD2 4.05Å; L26-L28 HydrophobicContact CD1-CG 4.17Å; L26-L28 HydrophobicContact CD2-CD1 4.03Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 HydrophobicContact CG-CD1 4.31Å; L26-L28 HydrophobicContact CG-CD2 4.41Å; L26-L28 HydrophobicContact CG-CG 3.98Å; L26-V40 HydrophobicContact CD2-CG1 4.22Å; L26-V40 HydrophobicContact CD2-CG2 4.34Å; L26-L43 HydrophobicContact CD2-CD1 3.75Å; L26-L46 HydrophobicContact CB-CD1 4.24Å; L26-L46 HydrophobicContact CB-CD2 3.58Å; L26-L46 HydrophobicContact CD2-CD1 4.05Å; L26-K48 PolarHBondContact N-O 3.34Å; L26-L49 HydrophobicContact CB-CD1 4.04Å; L26-L49 HydrophobicContact CD2-CD1 3.98Å; L26-L49 HydrophobicContact CG-CD1 3.98Å; L26-L49 WeakPolarHBondContact O-CA 3.46Å; L26-Y50 PolarHBondContact O-N 3.26Å
27D96.7Very high92.6Very high83 Ų8368.6 Ų68.644%0.44434%0.341SS..EExtended strand (participates in β ladder)trans-115.1110.9175.8-170.1-0.4000111.6S29D27-S29 WeakPolarHBondContact OD1-CB 3.13Å; D27-S29 PolarHBondContact OD1-N 2.96Å; D27-S29 PolarHBondContact OD1-OG 2.91Å
28L95.4Very high92.5Very high0 Ų064.3 Ų64.30%033%0.328CS..  trans-113.621.1177-62.6-179000111.6V15 L18 L26 R31 F33 L36 V40 Y50 V51 N54V15-L28 HydrophobicContact CG1-CD2 4.01Å; V15-L28 HydrophobicContact CG2-CD2 4.32Å; L18-L28 HydrophobicContact CD1-CD2 4.46Å; L26-L28 HydrophobicContact CD1-CD2 4.05Å; L26-L28 HydrophobicContact CD1-CG 4.17Å; L26-L28 HydrophobicContact CD2-CD1 4.03Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 HydrophobicContact CG-CD1 4.31Å; L26-L28 HydrophobicContact CG-CD2 4.41Å; L26-L28 HydrophobicContact CG-CG 3.98Å; L28-R31 WeakPolarHBondContact O-CG 3.48Å; L28-F33 HydrophobicContact CB-CD2 4.5Å; L28-F33 HydrophobicContact CB-CE2 4.04Å; L28-F33 HydrophobicContact CD2-CE2 4.42Å; L28-L36 HydrophobicContact CD1-CD2 3.96Å; L28-V40 HydrophobicContact CD1-CG2 3.71Å; L28-Y50 PolarHBondContact N-O 3.33Å; L28-V51 HydrophobicContact CB-CG1 4.4Å; L28-N54 PolarHBondContact O-ND2 3.37Å
29S96Very high92.4Very high18 Ų1865.9 Ų65.913%0.12633%0.33CS..THydrogen-bonded Turntrans-68.9147.5-177.2-53.50000112.3D27 R31 C52D27-S29 WeakPolarHBondContact OD1-CB 3.13Å; D27-S29 PolarHBondContact OD1-N 2.96Å; D27-S29 PolarHBondContact OD1-OG 2.91Å; S29-R31 PolarHBondContact O-N 2.76Å; S29-C52 CarbonylContact C-O 3.11Å; S29-C52 WeakPolarHBondContact CA-O 3.46Å; S29-C52 VanDerWaalsContact CB-O 3.3Å; S29-C52 WeakPolarHBondContact CB-O 3.32Å; S29-C52 PolarHBondContact OG-N 2.95Å; S29-C52 VanDerWaalsContact OG-N 3.12Å
30Y94.5Very high92.5Very high162 Ų16265.6 Ų65.664%0.63533%0.328SS*.THydrogen-bonded Turntrans58.427.2175.4-54.7-79.7000115.5C52Y30-C52 PolarHBondContact N-O 2.87Å
31R92.1Very high92.5Very high92 Ų9259.9 Ų59.935%0.34730%0.302SS..SBendtrans-94.54.7179.6-64.1-69.5-179163.83.2113.9P12 L13 L28 S29 F33 N54P12-R31 HydrophobicContact CG-CB 4.31Å; L13-R31 PolarHBondContact O-NH1 3.02Å; L28-R31 WeakPolarHBondContact O-CG 3.48Å; S29-R31 PolarHBondContact O-N 2.76Å; R31-F33 HydrophobicContact CB-CD2 3.53Å; R31-F33 HydrophobicContact CB-CE2 3.36Å; R31-F33 HydrophobicContact CB-CG 4.43Å; R31-F33 HydrophobicContact CB-CZ 4.16Å; R31-F33 HydrophobicContact CG-CD2 4.43Å; R31-F33 HydrophobicContact CG-CE2 3.91Å; R31-F33 PolarHBondContact O-N 3.07Å; R31-N54 PolarHBondContact N-OD1 3Å; R31-N54 VanDerWaalsContact N-OD1 3.1Å
32K91.3Very high92.6Very high147 Ų14763.3 Ų63.364%0.63931%0.312SS*.  trans63.221.4179.6-53.8173.9-177.3169.20114.5K34 N54K32-K34 PolarHBondContact O-N 2.97Å; K32-N54 PolarHBondContact N-OD1 2.79Å
33F91.2Very high92.8Very high13 Ų1362 Ų626%0.05729%0.294CS..  trans-57.2128.9179.5-75.6-63.2000112L11 P12 V15 L28 R31 R35 P37 N54 R55 L56L11-F33 HydrophobicContact CD2-CE1 4.28Å; P12-F33 HydrophobicContact CG-CE1 3.98Å; P12-F33 HydrophobicContact CG-CZ 3.96Å; V15-F33 HydrophobicContact CG1-CZ 4.21Å; V15-F33 HydrophobicContact CG2-CE2 4.49Å; V15-F33 HydrophobicContact CG2-CZ 3.98Å; L28-F33 HydrophobicContact CB-CD2 4.5Å; L28-F33 HydrophobicContact CB-CE2 4.04Å; L28-F33 HydrophobicContact CD2-CE2 4.42Å; R31-F33 HydrophobicContact CB-CD2 3.53Å; R31-F33 HydrophobicContact CB-CE2 3.36Å; R31-F33 HydrophobicContact CB-CG 4.43Å; R31-F33 HydrophobicContact CB-CZ 4.16Å; R31-F33 HydrophobicContact CG-CD2 4.43Å; R31-F33 HydrophobicContact CG-CE2 3.91Å; R31-F33 PolarHBondContact O-N 3.07Å; F33-R35 WeakPolarHBondContact CD1-O 3.43Å; F33-P37 HydrophobicContact CE1-CG 4.04Å; F33-P37 HydrophobicContact CZ-CG 4.31Å; F33-N54 HydrophobicContact CB-CB 4.21Å; F33-N54 PolarHBondContact N-OD1 3.12Å; F33-R55 CarbonylContact O-C 3.42Å; F33-R55 VanDerWaalsContact O-CA 3.32Å; F33-R55 WeakPolarHBondContact O-CA 3.4Å; F33-R55 WeakPolarHBondContact O-CB 3.45Å; F33-R55 PolarHBondContact O-N 3.3Å; F33-L56 HydrophobicContact CB-CD2 4.07Å; F33-L56 PolarHBondContact O-N 2.96Å
34K91.4Very high92.7Very high113 Ų11363.2 Ų63.249%0.49130%0.298SS..SBendtrans-86.9-31.5166.4-63.7176.8-164.9147.30111.7E9 K32E9-K34 IonicContact OE1-NZ 4Å; E9-K34 PolarHBondContact OE1-NZ 2.82Å; K32-K34 PolarHBondContact O-N 2.97Å
35R90.3Very high92.7Very high117 Ų11764.6 Ų64.644%0.44230%0.299SS..SBendtrans-134.1147.6175.1-64.8-176-70.5174.6-1.4108.2E7 F33E7-R35 PolarHBondContact O-NH2 2.98Å; F33-R35 WeakPolarHBondContact CD1-O 3.43Å
36L90Very high92.6Very high11 Ų1161.6 Ų61.66%0.05828%0.281CS..  trans-79140.4171.2-90.7167.1000109.6L28 V40 V51 L56 V59 P60 F63L28-L36 HydrophobicContact CD1-CD2 3.96Å; L36-V40 HydrophobicContact CD2-CG2 4.49Å; L36-V51 HydrophobicContact CD1-CG1 4.27Å; L36-V51 HydrophobicContact CD1-CG2 4.36Å; L36-V51 HydrophobicContact CD2-CG1 3.7Å; L36-V51 HydrophobicContact CD2-CG2 4.31Å; L36-V51 HydrophobicContact CG-CG1 4.16Å; L36-L56 HydrophobicContact CD1-CD1 3.9Å; L36-L56 HydrophobicContact CG-CD1 3.91Å; L36-L56 HydrophobicContact CG-CD2 4.18Å; L36-V59 HydrophobicContact CD1-CG1 4.24Å; L36-P60 HydrophobicContact CB-CG 4.42Å; L36-F63 HydrophobicContact CD1-CE2 3.89Å
37P87Confident92.7Very high21 Ų2165.5 Ų65.514%0.13630%0.299CS..  trans-60.6136.3173.1-20.532.9000110.9L11 F33 R39 V40L11-P37 HydrophobicContact CD2-CB 3.93Å; L11-P37 HydrophobicContact CD2-CG 3.37Å; F33-P37 HydrophobicContact CE1-CG 4.04Å; F33-P37 HydrophobicContact CZ-CG 4.31Å; P37-R39 PolarHBondContact O-N 3.37Å; P37-V40 HydrophobicContact CB-CG2 4.37Å; P37-V40 WeakPolarHBondContact O-CB 3.4Å; P37-V40 PolarHBondContact O-N 2.98Å; P37-V40 VanDerWaalsContact O-N 3.12Å
38S85.4Confident92.8Very high63 Ų6365.5 Ų65.544%0.44130%0.295SS..G310 helixtrans-57.7-35.3179.150.10000112.3V40 C41S38-V40 PolarHBondContact O-N 2.95Å; S38-V40 VanDerWaalsContact O-N 3.12Å; S38-C41 VanDerWaalsContact O-CB 3.29Å; S38-C41 WeakPolarHBondContact O-CB 3.38Å; S38-C41 PolarHBondContact O-N 2.9Å
39R89.5Confident92.9Very high92 Ų9265.5 Ų65.535%0.34730%0.295SS..G310 helixtrans-56.8-25.5177.6-164.8165172.9-173.8-11.6113.7E16 L19 E20 P37 C41 E42E16-R39 IonicContact OE1-CZ 3.26Å; E16-R39 IonicContact OE1-NH1 2.67Å; E16-R39 PolarHBondContact OE1-NH1 3.46Å; E16-R39 IonicContact OE1-NH2 3.72Å; E16-R39 IonicContact OE2-NH1 3.65Å; L19-R39 HydrophobicContact CD1-CB 4.47Å; E20-R39 IonicContact OE1-CZ 2.8Å; E20-R39 IonicContact OE1-NH2 2.98Å; E20-R39 PolarHBondContact OE1-NH2 3.4Å; P37-R39 PolarHBondContact O-N 3.37Å; R39-C41 PolarHBondContact O-N 3.35Å; R39-E42 WeakPolarHBondContact O-CB 3.32Å; R39-E42 PolarHBondContact O-N 3Å; R39-E42 VanDerWaalsContact O-N 3.15Å
40V92.6Very high93Very high0 Ų068.1 Ų68.10%030%0.303CS..G310 helixtrans-60.6-35.9173.3176.20000111.3L19 L26 L28 L36 P37 S38 E42 L43 L46 L49L19-V40 HydrophobicContact CD2-CG2 3.68Å; L26-V40 HydrophobicContact CD2-CG1 4.22Å; L26-V40 HydrophobicContact CD2-CG2 4.34Å; L28-V40 HydrophobicContact CD1-CG2 3.71Å; L36-V40 HydrophobicContact CD2-CG2 4.49Å; P37-V40 HydrophobicContact CB-CG2 4.37Å; P37-V40 WeakPolarHBondContact O-CB 3.4Å; P37-V40 PolarHBondContact O-N 2.98Å; P37-V40 VanDerWaalsContact O-N 3.12Å; S38-V40 PolarHBondContact O-N 2.95Å; S38-V40 VanDerWaalsContact O-N 3.12Å; V40-E42 PolarHBondContact O-N 2.9Å; V40-L43 PolarHBondContact O-N 3.12Å; V40-L46 HydrophobicContact CG1-CD1 4.46Å; V40-L49 HydrophobicContact CG1-CD1 4.35Å; V40-L49 HydrophobicContact CG1-CD2 3.82Å
41C91.6Very high93.1Very high1 Ų160.4 Ų60.41%0.00727%0.272CS..G310 helixtrans-71.2-17.1-179.6-580000112.9S38 R39 L43 S62S38-C41 VanDerWaalsContact O-CB 3.29Å; S38-C41 WeakPolarHBondContact O-CB 3.38Å; S38-C41 PolarHBondContact O-N 2.9Å; R39-C41 PolarHBondContact O-N 3.35Å; C41-L43 VanDerWaalsContact C-N 3.34Å; C41-S62 WeakPolarHBondContact CB-OG 3.4Å; C41-S62 PolarHBondContact SG-OG 3.28Å
42E92.5Very high93.3Very high127 Ų12756.9 Ų56.959%0.59326%0.261SS*.G310 helixtrans-83.2-13.6177.8-59.2176-178.800112.2R39 V40 M44R39-E42 WeakPolarHBondContact O-CB 3.32Å; R39-E42 PolarHBondContact O-N 3Å; R39-E42 VanDerWaalsContact O-N 3.15Å; V40-E42 PolarHBondContact O-N 2.9Å; E42-M44 PolarHBondContact O-N 2.84Å
43L94.4Very high93.5Very high20 Ų2050.8 Ų50.811%0.10524%0.241CC..  trans-80.865.9-178.3-53.8177000111.2L19 L26 V40 C41 H45 L46 L66L19-L43 HydrophobicContact CD2-CD1 3.81Å; L19-L43 WeakPolarHBondContact O-CD2 3.41Å; L26-L43 HydrophobicContact CD2-CD1 3.75Å; V40-L43 PolarHBondContact O-N 3.12Å; C41-L43 VanDerWaalsContact C-N 3.34Å; L43-H45 PolarHBondContact O-N 2.91Å; L43-L46 HydrophobicContact CB-CD1 3.69Å; L43-L46 HydrophobicContact CB-CG 3.74Å; L43-L46 HydrophobicContact CD1-CD1 4.07Å; L43-L46 WeakPolarHBondContact O-CB 3.3Å; L43-L46 WeakPolarHBondContact O-CG 3.21Å; L43-L46 PolarHBondContact O-N 3.12Å; L43-L66 WeakPolarHBondContact O-CD2 3.29Å
44M93.9Very high93.7Very high121 Ų12150.5 Ų50.560%0.59624%0.24SC*.THydrogen-bonded Turntrans-62.6-11.8-175.3-60.3-176.8-17500114.7E42 L46E42-M44 PolarHBondContact O-N 2.84Å; M44-L46 VanDerWaalsContact C-N 3.32Å
45H94.9Very high94Very high86 Ų8650.9 Ų50.940%0.39824%0.238SC..THydrogen-bonded Turntrans-81.6-8.2175.360.6-86.6000113.4G22 D23 L43 E47G22-H45 PolarHBondContact O-CD2 2.78Å; D23-H45 PolarHBondContact O-CD2 3.15Å; D23-H45 PolarHBondContact O-NE2 2.79Å; L43-H45 PolarHBondContact O-N 2.91Å; H45-E47 PolarHBondContact O-N 3.33Å
46L97.6Very high94.2Very high2 Ų245.3 Ų45.31%0.0122%0.217CC..  trans-65.6128.8-177.9-72.6178000112.2D23 L26 V40 L43 M44 G68 L69D23-L46 WeakPolarHBondContact O-CD2 3.49Å; L26-L46 HydrophobicContact CB-CD1 4.24Å; L26-L46 HydrophobicContact CB-CD2 3.58Å; L26-L46 HydrophobicContact CD2-CD1 4.05Å; V40-L46 HydrophobicContact CG1-CD1 4.46Å; L43-L46 HydrophobicContact CB-CD1 3.69Å; L43-L46 HydrophobicContact CB-CG 3.74Å; L43-L46 HydrophobicContact CD1-CD1 4.07Å; L43-L46 WeakPolarHBondContact O-CB 3.3Å; L43-L46 WeakPolarHBondContact O-CG 3.21Å; L43-L46 PolarHBondContact O-N 3.12Å; M44-L46 VanDerWaalsContact C-N 3.32Å; L46-G68 CarbonylContact O-C 3.36Å; L46-L69 HydrophobicContact CB-CD1 4.02Å; L46-L69 PolarHBondContact O-N 3.12Å
47E98.1Very high94.5Very high87 Ų8752 Ų5241%0.40724%0.242SC..SBendtrans-104.3-28.6169.6-63.2-164.817500112.2P24 H45 R70 T71P24-E47 HydrophobicContact CB-CB 4.32Å; P24-E47 HydrophobicContact CB-CG 4.11Å; P24-E47 PolarHBondContact O-N 3.19Å; H45-E47 PolarHBondContact O-N 3.33Å; E47-R70 PolarHBondContact O-N 2.9Å; E47-T71 PolarHBondContact O-N 3.48Å
48K98.6Very high94.7Very high82 Ų8258.9 Ų58.936%0.35727%0.269SS..EExtended strand (participates in β ladder)trans-136.3129.1-178.8-52.7-176-174.3169.70110.9P24 V25 L26 Y50 T71P24-K48 PolarHBondContact O-N 3.1Å; V25-K48 WeakPolarHBondContact CA-O 3.06Å; V25-K48 HydrophobicContact CB-CB 4.44Å; V25-K48 HydrophobicContact CG1-CB 4.14Å; V25-K48 HydrophobicContact CG2-CB 4.11Å; V25-K48 HydrophobicContact CG2-CD 4.01Å; V25-K48 HydrophobicContact CG2-CG 4.26Å; L26-K48 PolarHBondContact N-O 3.34Å; K48-Y50 HydrophobicContact CB-CE2 3.95Å; K48-T71 WeakPolarHBondContact CA-O 3.48Å
49L98.1Very high95.1Very high0 Ų056.4 Ų56.40%025%0.252CS..EExtended strand (participates in β ladder)trans-132118.7179.3177.754.4000110.1L26 V40 V51 F63 L66 L69 T71 L72 A73L26-L49 HydrophobicContact CB-CD1 4.04Å; L26-L49 HydrophobicContact CD2-CD1 3.98Å; L26-L49 HydrophobicContact CG-CD1 3.98Å; L26-L49 WeakPolarHBondContact O-CA 3.46Å; V40-L49 HydrophobicContact CG1-CD1 4.35Å; V40-L49 HydrophobicContact CG1-CD2 3.82Å; L49-V51 HydrophobicContact CD1-CG2 3.78Å; L49-V51 HydrophobicContact CD2-CG2 4.33Å; L49-V51 HydrophobicContact CG-CG2 3.71Å; L49-F63 HydrophobicContact CD2-CE2 3.65Å; L49-F63 HydrophobicContact CD2-CZ 3.45Å; L49-F63 VanDerWaalsContact CD2-CZ 3.45Å; L49-L66 HydrophobicContact CD2-CD1 4.19Å; L49-L69 HydrophobicContact CB-CD1 3.77Å; L49-L69 HydrophobicContact CB-CD2 4.24Å; L49-T71 PolarHBondContact N-O 3.32Å; L49-L72 HydrophobicContact CB-CD1 4.25Å; L49-L72 HydrophobicContact CD2-CD1 4.33Å; L49-L72 HydrophobicContact CG-CD1 4.25Å; L49-L72 WeakPolarHBondContact O-CA 3.47Å; L49-A73 PolarHBondContact O-N 3.44Å
50Y98.1Very high95.2Very high74 Ų7453.7 Ų53.729%0.2925%0.246SC..EExtended strand (participates in β ladder)trans-109.5122.9178.3-58.7-84.1000109.5V25 L26 L28 K48 T71 A73V25-Y50 HydrophobicContact CG1-CD2 4.29Å; V25-Y50 HydrophobicContact CG1-CE2 3.94Å; L26-Y50 PolarHBondContact O-N 3.26Å; L28-Y50 PolarHBondContact N-O 3.33Å; K48-Y50 HydrophobicContact CB-CE2 3.95Å; Y50-T71 HydrophobicContact CE1-CG2 4.31Å; Y50-A73 HydrophobicContact CD1-CB 3.61Å; Y50-A73 HydrophobicContact CE1-CB 4.24Å; Y50-A73 HydrophobicContact CG-CB 4.49Å
51V96.7Very high95Very high0 Ų060.5 Ų60.50%028%0.282CS..  trans-136.832.1-178.1-157.50000110.1L28 L36 L49 N54 L56 A73 L74 N77L28-V51 HydrophobicContact CB-CG1 4.4Å; L36-V51 HydrophobicContact CD1-CG1 4.27Å; L36-V51 HydrophobicContact CD1-CG2 4.36Å; L36-V51 HydrophobicContact CD2-CG1 3.7Å; L36-V51 HydrophobicContact CD2-CG2 4.31Å; L36-V51 HydrophobicContact CG-CG1 4.16Å; L49-V51 HydrophobicContact CD1-CG2 3.78Å; L49-V51 HydrophobicContact CD2-CG2 4.33Å; L49-V51 HydrophobicContact CG-CG2 3.71Å; V51-N54 WeakPolarHBondContact CG1-ND2 3.18Å; V51-N54 PolarHBondContact O-ND2 3.45Å; V51-L56 HydrophobicContact CB-CD1 4.41Å; V51-L56 HydrophobicContact CG1-CD1 3.61Å; V51-A73 PolarHBondContact N-O 3.48Å; V51-L74 HydrophobicContact CB-CD2 4.05Å; V51-L74 HydrophobicContact CG2-CD2 4.37Å; V51-N77 PolarHBondContact O-ND2 3.04Å
52C96.6Very high95.1Very high17 Ų1762.3 Ų62.312%0.11530%0.295CS..THydrogen-bonded Turntrans-68.3150.3-174.7-56.80000111.4S29 Y30 N54 A73 D75S29-C52 CarbonylContact C-O 3.11Å; S29-C52 WeakPolarHBondContact CA-O 3.46Å; S29-C52 VanDerWaalsContact CB-O 3.3Å; S29-C52 WeakPolarHBondContact CB-O 3.32Å; S29-C52 PolarHBondContact OG-N 2.95Å; S29-C52 VanDerWaalsContact OG-N 3.12Å; Y30-C52 PolarHBondContact N-O 2.87Å; C52-N54 VanDerWaalsContact C-N 3.32Å; C52-N54 PolarHBondContact O-N 3Å; C52-N54 PolarHBondContact O-ND2 3.48Å; C52-A73 WeakPolarHBondContact SG-CB 3.32Å; C52-D75 CarbonylContact C-O 3.45Å; C52-D75 WeakPolarHBondContact CA-O 3.37Å
53G95.8Very high95.1Very high20 Ų2056.3 Ų56.321%0.20627%0.267CS..THydrogen-bonded Turntrans69.128.517000000114.5D75 F76G53-D75 PolarHBondContact N-O 3.45Å; G53-F76 VanDerWaalsContact CA-O 3.32Å; G53-F76 WeakPolarHBondContact CA-O 3.19Å; G53-F76 PolarHBondContact N-O 3Å
54N95.8Very high95.1Very high7 Ų756.5 Ų56.54%0.03727%0.27CS..SBendtrans-100.2-162.5174.2-76.2-62.5000110.7L28 R31 K32 F33 V51 C52 L56 F76 N77L28-N54 PolarHBondContact O-ND2 3.37Å; R31-N54 PolarHBondContact N-OD1 3Å; R31-N54 VanDerWaalsContact N-OD1 3.1Å; K32-N54 PolarHBondContact N-OD1 2.79Å; F33-N54 HydrophobicContact CB-CB 4.21Å; F33-N54 PolarHBondContact N-OD1 3.12Å; V51-N54 WeakPolarHBondContact CG1-ND2 3.18Å; V51-N54 PolarHBondContact O-ND2 3.45Å; C52-N54 VanDerWaalsContact C-N 3.32Å; C52-N54 PolarHBondContact O-N 3Å; C52-N54 PolarHBondContact O-ND2 3.48Å; N54-L56 HydrophobicContact CB-CG 4.12Å; N54-F76 PolarHBondContact N-O 3.02Å; N54-N77 WeakPolarHBondContact CA-OD1 3.24Å; N54-N77 WeakPolarHBondContact CB-OD1 3.41Å; N54-N77 PolarHBondContact O-OD1 3.36Å
55R95.8Very high95.1Very high121 Ų12155.2 Ų55.246%0.45726%0.263SS..  trans-123.426.8-179.6-60.5174.4179.1179.2-0.4111F33 N77F33-R55 CarbonylContact O-C 3.42Å; F33-R55 VanDerWaalsContact O-CA 3.32Å; F33-R55 WeakPolarHBondContact O-CA 3.4Å; F33-R55 WeakPolarHBondContact O-CB 3.45Å; F33-R55 PolarHBondContact O-N 3.3Å; R55-N77 PolarHBondContact N-OD1 2.83Å
56L95.6Very high95.2Very high0 Ų051.2 Ų51.20%024%0.244CC..  trans-65.9133.2-175.5-58.9178000110.4F33 L36 V51 N54 L74 N77 K78 L79F33-L56 HydrophobicContact CB-CD2 4.07Å; F33-L56 PolarHBondContact O-N 2.96Å; L36-L56 HydrophobicContact CD1-CD1 3.9Å; L36-L56 HydrophobicContact CG-CD1 3.91Å; L36-L56 HydrophobicContact CG-CD2 4.18Å; V51-L56 HydrophobicContact CB-CD1 4.41Å; V51-L56 HydrophobicContact CG1-CD1 3.61Å; N54-L56 HydrophobicContact CB-CG 4.12Å; L56-L74 HydrophobicContact CD1-CD2 4.03Å; L56-N77 HydrophobicContact CB-CB 4.3Å; L56-N77 WeakPolarHBondContact CB-OD1 3.36Å; L56-N77 WeakPolarHBondContact CG-OD1 3.44Å; L56-N77 PolarHBondContact N-OD1 3.3Å; L56-K78 CarbonylContact O-C 3.5Å; L56-K78 VanDerWaalsContact O-CA 3.29Å; L56-K78 WeakPolarHBondContact O-CA 3.34Å; L56-K78 PolarHBondContact O-N 2.77Å; L56-L79 PolarHBondContact O-N 3.05Å
57R95.3Very high95.1Very high151 Ų15155 Ų5557%0.5726%0.261SS*.SBendtrans-106-22.5169.6-65.1-173.4-175.9-150.97.5112.7K78 L79R57-K78 HydrophobicContact CG-CB 4.09Å; R57-L79 WeakPolarHBondContact O-CD2 3.21Å
58K92.8Very high95.1Very high166 Ų16652.3 Ų52.372%0.72226%0.258SS*.  trans-148.1163.3178-63.4-171.7177.3-173.50108.7
59V93.2Very high95.1Very high11 Ų1148.4 Ų48.47%0.06724%0.241CC..  trans-110.3157.2163.4-53.80000108.4L36 F63 L74 P83 V86L36-V59 HydrophobicContact CD1-CG1 4.24Å; V59-F63 HydrophobicContact CB-CB 4.48Å; V59-F63 HydrophobicContact CB-CD2 4.3Å; V59-F63 HydrophobicContact CB-CG 4.27Å; V59-F63 HydrophobicContact CG2-CB 4Å; V59-F63 HydrophobicContact CG2-CD1 4.24Å; V59-F63 HydrophobicContact CG2-CG 4.05Å; V59-L74 HydrophobicContact CG1-CD1 4.42Å; V59-L74 HydrophobicContact CG1-CD2 4.31Å; V59-P83 HydrophobicContact CB-CG 4.48Å; V59-P83 HydrophobicContact CG1-CG 4.35Å; V59-P83 HydrophobicContact CG2-CB 3.57Å; V59-P83 HydrophobicContact CG2-CG 3.72Å; V59-V86 HydrophobicContact CG2-CG2 4.09Å
60P91.1Very high95.1Very high35 Ų3554.3 Ų54.323%0.22726%0.263CS..  trans-59.9150.7176.4-22.133.4000112.1L36 S62 F63L36-P60 HydrophobicContact CB-CG 4.42Å; P60-S62 PolarHBondContact O-N 3.38Å; P60-F63 WeakPolarHBondContact O-CB 3.32Å; P60-F63 PolarHBondContact O-N 3.27Å; P60-F63 VanDerWaalsContact O-N 3.08Å
61D89.1Confident95.1Very high142 Ų14251.3 Ų51.376%0.75925%0.253SS*.G310 helixtrans-65.7-29.5177-66.8-24.3000111.9F63 S64D61-F63 PolarHBondContact O-N 2.94Å; D61-S64 PolarHBondContact O-N 2.98Å; D61-S64 PolarHBondContact O-OG 3.13Å
62S92.4Very high95.2Very high40 Ų4051.3 Ų51.328%0.2825%0.253SS..G310 helixtrans-64.3-7.9173.953.40000113.9C41 P60 S64 Q65C41-S62 WeakPolarHBondContact CB-OG 3.4Å; C41-S62 PolarHBondContact SG-OG 3.28Å; P60-S62 PolarHBondContact O-N 3.38Å; S62-S64 PolarHBondContact O-N 3.42Å; S62-S64 VanDerWaalsContact O-N 3.13Å; S62-Q65 VanDerWaalsContact O-CB 3.29Å; S62-Q65 WeakPolarHBondContact O-CB 3.32Å; S62-Q65 VanDerWaalsContact O-CG 3.32Å; S62-Q65 WeakPolarHBondContact O-CG 3.38Å; S62-Q65 PolarHBondContact O-N 2.82Å
63F93.1Very high95.3Very high0 Ų050.7 Ų50.70%025%0.248CC..G310 helixtrans-60.4-23.9177.5-153.2-100.8000112.3L36 L49 V59 P60 D61 Q65 L66 L72 A85 V86 L89L36-F63 HydrophobicContact CD1-CE2 3.89Å; L49-F63 HydrophobicContact CD2-CE2 3.65Å; L49-F63 HydrophobicContact CD2-CZ 3.45Å; L49-F63 VanDerWaalsContact CD2-CZ 3.45Å; V59-F63 HydrophobicContact CB-CB 4.48Å; V59-F63 HydrophobicContact CB-CD2 4.3Å; V59-F63 HydrophobicContact CB-CG 4.27Å; V59-F63 HydrophobicContact CG2-CB 4Å; V59-F63 HydrophobicContact CG2-CD1 4.24Å; V59-F63 HydrophobicContact CG2-CG 4.05Å; P60-F63 WeakPolarHBondContact O-CB 3.32Å; P60-F63 PolarHBondContact O-N 3.27Å; P60-F63 VanDerWaalsContact O-N 3.08Å; D61-F63 PolarHBondContact O-N 2.94Å; F63-Q65 PolarHBondContact O-N 3.19Å; F63-L66 HydrophobicContact CD2-CD1 4.14Å; F63-L66 HydrophobicContact CE2-CD1 4.04Å; F63-L66 HydrophobicContact CG-CD1 4.45Å; F63-L66 HydrophobicContact CZ-CD1 4.26Å; F63-L66 PolarHBondContact O-N 2.98Å; F63-L72 HydrophobicContact CE1-CD1 3.93Å; F63-L72 HydrophobicContact CE1-CD2 3.73Å; F63-L72 HydrophobicContact CZ-CD1 3.74Å; F63-L72 HydrophobicContact CZ-CD2 4.39Å; F63-A85 HydrophobicContact CB-CB 4.02Å; F63-V86 HydrophobicContact CD1-CG2 4.3Å; F63-V86 HydrophobicContact CE1-CG2 4.44Å; F63-L89 HydrophobicContact CD1-CD1 3.91Å; F63-L89 HydrophobicContact CE1-CD1 3.95Å; F63-L89 WeakPolarHBondContact O-CD2 3.39Å
64S94.2Very high95.4Very high25 Ų2549.7 Ų49.718%0.17524%0.239CC..G310 helixtrans-67.4-9.6174.464.40000114.1D61 S62 L66 Q67 E88D61-S64 PolarHBondContact O-N 2.98Å; D61-S64 PolarHBondContact O-OG 3.13Å; S62-S64 PolarHBondContact O-N 3.42Å; S62-S64 VanDerWaalsContact O-N 3.13Å; S64-L66 VanDerWaalsContact C-N 3.25Å; S64-L66 PolarHBondContact O-N 3.04Å; S64-Q67 PolarHBondContact O-NE2 2.83Å; S64-E88 WeakPolarHBondContact CB-OE2 3.47Å; S64-E88 PolarHBondContact OG-OE2 3.33Å
65Q95.2Very high95.5Very high94 Ų9450 Ų5044%0.43924%0.24SC..G310 helixtrans-72-19.2174.4-64.6178.6-3.200113.1S62 F63 Q67S62-Q65 VanDerWaalsContact O-CB 3.29Å; S62-Q65 WeakPolarHBondContact O-CB 3.32Å; S62-Q65 VanDerWaalsContact O-CG 3.32Å; S62-Q65 WeakPolarHBondContact O-CG 3.38Å; S62-Q65 PolarHBondContact O-N 2.82Å; F63-Q65 PolarHBondContact O-N 3.19Å; Q65-Q67 PolarHBondContact O-N 3.18Å
66L96.4Very high95.6Very high1 Ų149.5 Ų49.51%0.00524%0.242CC..  trans-7751.9-178-58.5178.4000112.4L43 L49 F63 S64 G68 L69 L89L43-L66 WeakPolarHBondContact O-CD2 3.29Å; L49-L66 HydrophobicContact CD2-CD1 4.19Å; F63-L66 HydrophobicContact CD2-CD1 4.14Å; F63-L66 HydrophobicContact CE2-CD1 4.04Å; F63-L66 HydrophobicContact CG-CD1 4.45Å; F63-L66 HydrophobicContact CZ-CD1 4.26Å; F63-L66 PolarHBondContact O-N 2.98Å; S64-L66 VanDerWaalsContact C-N 3.25Å; S64-L66 PolarHBondContact O-N 3.04Å; L66-G68 PolarHBondContact O-N 3.33Å; L66-G68 VanDerWaalsContact O-N 3.07Å; L66-L69 HydrophobicContact CB-CB 4.27Å; L66-L69 WeakPolarHBondContact O-CB 3.43Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-L89 HydrophobicContact CB-CD2 4.2Å; L66-L89 WeakPolarHBondContact O-CD2 3.17Å
67Q96.2Very high95.7Very high81 Ų8150 Ų5038%0.37924%0.244SC..THydrogen-bonded Turntrans-64.9-14.4-173.8-68.2-66-36.800114S64 Q65 L69 E88 S91S64-Q67 PolarHBondContact O-NE2 2.83Å; Q65-Q67 PolarHBondContact O-N 3.18Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-E88 PolarHBondContact NE2-O 3.08Å; Q67-S91 WeakPolarHBondContact O-CB 3.46Å; Q67-S91 PolarHBondContact O-OG 2.74Å
68G96.9Very high95.8Very high32 Ų3246.3 Ų46.333%0.3323%0.232SC..THydrogen-bonded Turntrans-79.3-11.5171.300000114.5L46 L66 R70L46-G68 CarbonylContact O-C 3.36Å; L66-G68 PolarHBondContact O-N 3.33Å; L66-G68 VanDerWaalsContact O-N 3.07Å; G68-R70 PolarHBondContact O-N 3.23Å
69L98.3Very high96.1Very high0 Ų038.4 Ų38.40%020%0.198CC..  trans-69.5123.2-170.1-158.474.1000111.6L46 L49 L66 Q67 L72 L89 S91 L92L46-L69 HydrophobicContact CB-CD1 4.02Å; L46-L69 PolarHBondContact O-N 3.12Å; L49-L69 HydrophobicContact CB-CD1 3.77Å; L49-L69 HydrophobicContact CB-CD2 4.24Å; L66-L69 HydrophobicContact CB-CB 4.27Å; L66-L69 WeakPolarHBondContact O-CB 3.43Å; L66-L69 PolarHBondContact O-N 3.06Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; L69-L72 HydrophobicContact CD2-CB 3.89Å; L69-L72 HydrophobicContact CD2-CD1 4.09Å; L69-L72 HydrophobicContact CD2-CD2 4.48Å; L69-L72 HydrophobicContact CD2-CG 4.37Å; L69-L89 HydrophobicContact CD2-CD1 3.96Å; L69-S91 CarbonylContact O-C 3.35Å; L69-S91 VanDerWaalsContact O-C 3.29Å; L69-L92 HydrophobicContact CB-CD2 4.47Å; L69-L92 HydrophobicContact CD2-CD2 4.24Å; L69-L92 HydrophobicContact CG-CD2 4.25Å; L69-L92 PolarHBondContact O-N 2.92Å
70R98.6Very high96.2Very high123 Ų12342.5 Ų42.546%0.46422%0.216SC..  trans-104.4-30179.7-60.4-174.9-177.6-77.10.1112.5E47 G68 T93 H94E47-R70 PolarHBondContact O-N 2.9Å; G68-R70 PolarHBondContact O-N 3.23Å; R70-T93 PolarHBondContact O-N 2.97Å; R70-T93 PolarHBondContact O-OG1 2.99Å; R70-H94 PolarHBondContact O-N 3.26Å
71T98.8Very high96.5Very high12 Ų1245.8 Ų45.87%0.07423%0.232CC..EExtended strand (participates in β ladder)trans-130.9124.2-178.5-55.20000110.3E47 K48 L49 Y50 H94 Y96E47-T71 PolarHBondContact O-N 3.48Å; K48-T71 WeakPolarHBondContact CA-O 3.48Å; L49-T71 PolarHBondContact N-O 3.32Å; Y50-T71 HydrophobicContact CE1-CG2 4.31Å; T71-H94 WeakPolarHBondContact CA-O 3.02Å; T71-H94 HydrophobicContact CG2-CB 4.02Å; T71-Y96 HydrophobicContact CG2-CD2 4.49Å; T71-Y96 HydrophobicContact CG2-CE2 3.86Å
72L98.6Very high96.8Very high0 Ų039.2 Ų39.20%020%0.197CC..EExtended strand (participates in β ladder)trans-129.1122.1175.3176.660.9000109.9L49 F63 L69 L74 V86 L89 L92 H94 L95 Y96L49-L72 HydrophobicContact CB-CD1 4.25Å; L49-L72 HydrophobicContact CD2-CD1 4.33Å; L49-L72 HydrophobicContact CG-CD1 4.25Å; L49-L72 WeakPolarHBondContact O-CA 3.47Å; F63-L72 HydrophobicContact CE1-CD1 3.93Å; F63-L72 HydrophobicContact CE1-CD2 3.73Å; F63-L72 HydrophobicContact CZ-CD1 3.74Å; F63-L72 HydrophobicContact CZ-CD2 4.39Å; L69-L72 HydrophobicContact CD2-CB 3.89Å; L69-L72 HydrophobicContact CD2-CD1 4.09Å; L69-L72 HydrophobicContact CD2-CD2 4.48Å; L69-L72 HydrophobicContact CD2-CG 4.37Å; L72-L74 HydrophobicContact CD1-CD1 4.21Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.03Å; L72-L74 HydrophobicContact CD2-CD1 3.79Å; L72-L74 HydrophobicContact CD2-CG 4.45Å; L72-L74 HydrophobicContact CG-CD1 3.96Å; L72-L74 HydrophobicContact CG-CG 4.08Å; L72-V86 HydrophobicContact CD2-CG1 3.84Å; L72-V86 HydrophobicContact CD2-CG2 4.07Å; L72-L89 HydrophobicContact CD2-CD1 4.35Å; L72-L92 HydrophobicContact CB-CD2 3.79Å; L72-L92 HydrophobicContact CD2-CD1 4.46Å; L72-H94 PolarHBondContact N-O 2.93Å; L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.89Å; L72-L95 HydrophobicContact CG-CD1 4.04Å; L72-L95 WeakPolarHBondContact O-CA 3.43Å; L72-Y96 PolarHBondContact O-N 3.16Å
73A98.5Very high96.9Very high3 Ų338.4 Ų38.43%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-116.1117.7175.500000111.2L49 Y50 V51 C52 Y96L49-A73 PolarHBondContact O-N 3.44Å; Y50-A73 HydrophobicContact CD1-CB 3.61Å; Y50-A73 HydrophobicContact CE1-CB 4.24Å; Y50-A73 HydrophobicContact CG-CB 4.49Å; V51-A73 PolarHBondContact N-O 3.48Å; C52-A73 WeakPolarHBondContact SG-CB 3.32Å; A73-Y96 HydrophobicContact CB-CD2 3.82Å; A73-Y96 HydrophobicContact CB-CG 4.35Å
74L98Very high97Very high0 Ų042.9 Ų42.90%021%0.214CC..  trans-125.723.4179.8-68.3163.5000110.8V51 L56 V59 L72 N77 L79 V86 Y96 L97 N100V51-L74 HydrophobicContact CB-CD2 4.05Å; V51-L74 HydrophobicContact CG2-CD2 4.37Å; L56-L74 HydrophobicContact CD1-CD2 4.03Å; V59-L74 HydrophobicContact CG1-CD1 4.42Å; V59-L74 HydrophobicContact CG1-CD2 4.31Å; L72-L74 HydrophobicContact CD1-CD1 4.21Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.03Å; L72-L74 HydrophobicContact CD2-CD1 3.79Å; L72-L74 HydrophobicContact CD2-CG 4.45Å; L72-L74 HydrophobicContact CG-CD1 3.96Å; L72-L74 HydrophobicContact CG-CG 4.08Å; L74-N77 PolarHBondContact O-ND2 2.84Å; L74-L79 HydrophobicContact CB-CD1 4.15Å; L74-L79 HydrophobicContact CD1-CD1 4.24Å; L74-V86 HydrophobicContact CD1-CG2 4.42Å; L74-Y96 PolarHBondContact N-O 3.35Å; L74-L97 HydrophobicContact CB-CD2 3.85Å; L74-L97 HydrophobicContact CD1-CD2 3.94Å; L74-N100 PolarHBondContact O-ND2 3.39Å
75D97.8Very high97.1Very high14 Ų1442 Ų428%0.07521%0.208CC..  trans-60.7156179.8-49.9-71.4000112C52 G53 N77 Y96 L97 G98C52-D75 CarbonylContact C-O 3.45Å; C52-D75 WeakPolarHBondContact CA-O 3.37Å; G53-D75 PolarHBondContact N-O 3.45Å; D75-N77 VanDerWaalsContact C-N 3.3Å; D75-N77 PolarHBondContact O-N 2.86Å; D75-N77 PolarHBondContact O-ND2 3.32Å; D75-Y96 VanDerWaalsContact CG-CB 3.49Å; D75-Y96 VanDerWaalsContact OD1-C 3.23Å; D75-Y96 VanDerWaalsContact OD1-CB 3.26Å; D75-Y96 WeakPolarHBondContact OD1-CB 2.89Å; D75-Y96 WeakPolarHBondContact OD2-CB 3.47Å; D75-L97 PolarHBondContact OD1-N 3.44Å; D75-G98 CarbonylContact C-O 3.35Å; D75-G98 WeakPolarHBondContact CA-O 3.29Å; D75-G98 WeakPolarHBondContact OD1-CA 3.48Å; D75-G98 PolarHBondContact OD1-N 2.92Å
76F97.9Very high97.2Very high110 Ų11037.5 Ų37.548%0.48219%0.187SC..SBendtrans55.944.6175.5-55.1-83000112.8G53 N54 G98 S99G53-F76 VanDerWaalsContact CA-O 3.32Å; G53-F76 WeakPolarHBondContact CA-O 3.19Å; G53-F76 PolarHBondContact N-O 3Å; N54-F76 PolarHBondContact N-O 3.02Å; F76-G98 PolarHBondContact N-O 3.01Å; F76-S99 WeakPolarHBondContact CA-O 3.24Å; F76-S99 VanDerWaalsContact CE1-OG 3.24Å; F76-S99 WeakPolarHBondContact CE1-OG 3.39Å
77N97.9Very high97.3Very high11 Ų1137.4 Ų37.46%0.05919%0.187CC..SBendtrans-113.6-160.9173.5-84.4-73.8000110.4V51 N54 R55 L56 L74 D75 L79 N100V51-N77 PolarHBondContact O-ND2 3.04Å; N54-N77 WeakPolarHBondContact CA-OD1 3.24Å; N54-N77 WeakPolarHBondContact CB-OD1 3.41Å; N54-N77 PolarHBondContact O-OD1 3.36Å; R55-N77 PolarHBondContact N-OD1 2.83Å; L56-N77 HydrophobicContact CB-CB 4.3Å; L56-N77 WeakPolarHBondContact CB-OD1 3.36Å; L56-N77 WeakPolarHBondContact CG-OD1 3.44Å; L56-N77 PolarHBondContact N-OD1 3.3Å; L74-N77 PolarHBondContact O-ND2 2.84Å; D75-N77 VanDerWaalsContact C-N 3.3Å; D75-N77 PolarHBondContact O-N 2.86Å; D75-N77 PolarHBondContact O-ND2 3.32Å; N77-L79 HydrophobicContact CB-CG 4.37Å; N77-N100 WeakPolarHBondContact CA-OD1 3.08Å; N77-N100 WeakPolarHBondContact CB-OD1 3.38Å; N77-N100 PolarHBondContact O-OD1 3.03Å
78K97.5Very high97.4Very high73 Ų7338.1 Ų38.132%0.31719%0.19SC..  trans-12633.6-180-60.9-177.9-179.9-178.60111L56 R57 E80 N100L56-K78 CarbonylContact O-C 3.5Å; L56-K78 VanDerWaalsContact O-CA 3.29Å; L56-K78 WeakPolarHBondContact O-CA 3.34Å; L56-K78 PolarHBondContact O-N 2.77Å; R57-K78 HydrophobicContact CG-CB 4.09Å; K78-E80 PolarHBondContact O-N 2.93Å; K78-N100 PolarHBondContact N-OD1 3.17Å
79L97.5Very high97.4Very high0 Ų036.6 Ų36.60%018%0.175CC..  trans-67.2124.8177.9-59.6176000109.4L56 R57 L74 N77 L97 N100 R101 L102L56-L79 PolarHBondContact O-N 3.05Å; R57-L79 WeakPolarHBondContact O-CD2 3.21Å; L74-L79 HydrophobicContact CB-CD1 4.15Å; L74-L79 HydrophobicContact CD1-CD1 4.24Å; N77-L79 HydrophobicContact CB-CG 4.37Å; L79-L97 HydrophobicContact CD1-CD2 4.13Å; L79-N100 HydrophobicContact CB-CB 4.23Å; L79-N100 WeakPolarHBondContact CB-OD1 3.38Å; L79-N100 WeakPolarHBondContact CG-OD1 3.3Å; L79-N100 PolarHBondContact N-OD1 3.09Å; L79-R101 CarbonylContact O-C 3.33Å; L79-R101 WeakPolarHBondContact O-CA 3.37Å; L79-R101 WeakPolarHBondContact O-CB 3.45Å; L79-R101 PolarHBondContact O-N 3.33Å; L79-L102 HydrophobicContact CB-CD2 4.19Å
80E96.9Very high97.3Very high97 Ų9739.6 Ų39.645%0.45319%0.193SC..SBendtrans-92.3-29.5175.4-68.9175-169.500111.1K78 R101K78-E80 PolarHBondContact O-N 2.93Å; E80-R101 HydrophobicContact CG-CB 4.2Å; E80-R101 IonicContact OE1-NH1 4Å
81D96.1Very high97.3Very high103 Ų10335.4 Ų35.455%0.55118%0.183SC*.SBendtrans-134.2157.9173.3-66.2-63.4000110.3P83 L102D81-P83 WeakPolarHBondContact O-CD 3.36Å; D81-L102 VanDerWaalsContact C-CD2 3.4Å
82V96.8Very high97.3Very high5 Ų534.9 Ų34.93%0.0318%0.179CC..  trans-74.8120.4169.2-174.70000108.2V86 L97 L102 L105 P106 F109V82-V86 HydrophobicContact CG1-CB 4.35Å; V82-V86 HydrophobicContact CG1-CG1 4.41Å; V82-L97 HydrophobicContact CG1-CD1 4.22Å; V82-L97 HydrophobicContact CG2-CD1 3.7Å; V82-L102 HydrophobicContact CG2-CD1 3.99Å; V82-L102 HydrophobicContact CG2-CD2 4.1Å; V82-L105 HydrophobicContact CG2-CD2 3.67Å; V82-P106 HydrophobicContact CB-CG 4.2Å; V82-F109 HydrophobicContact CG1-CD2 4.3Å; V82-F109 HydrophobicContact CG1-CE2 4.35Å
83P94.1Very high97.3Very high23 Ų2335.9 Ų35.915%0.14919%0.185CC..  trans-62.4139.2179.9-21.933.6000111.9V59 D81 A85 V86V59-P83 HydrophobicContact CB-CG 4.48Å; V59-P83 HydrophobicContact CG1-CG 4.35Å; V59-P83 HydrophobicContact CG2-CB 3.57Å; V59-P83 HydrophobicContact CG2-CG 3.72Å; D81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-A85 PolarHBondContact O-N 3.07Å; P83-V86 HydrophobicContact CB-CG2 4.25Å; P83-V86 HydrophobicContact CG-CG2 4.34Å; P83-V86 WeakPolarHBondContact O-CB 3.29Å; P83-V86 PolarHBondContact O-N 3Å
84L95.9Very high97.3Very high93 Ų9338.8 Ų38.849%0.48720%0.198SC..Hα-helixtrans-58.8-37.1-179.6-66-180000112.2V86 C87 E88 P106 E108L84-V86 PolarHBondContact O-N 2.94Å; L84-C87 WeakPolarHBondContact O-CA 3.48Å; L84-C87 VanDerWaalsContact O-CB 3.3Å; L84-C87 WeakPolarHBondContact O-CB 3.12Å; L84-C87 PolarHBondContact O-N 3.41Å; L84-E88 PolarHBondContact O-N 3.45Å; L84-P106 HydrophobicContact CD2-CB 4.13Å; L84-P106 HydrophobicContact CD2-CG 4.48Å; L84-E108 HydrophobicContact CD2-CB 4.2Å; L84-E108 HydrophobicContact CD2-CG 4.02Å
85A96.1Very high97.4Very high6 Ų638.8 Ų38.85%0.0520%0.198CC..Hα-helixtrans-56.8-31.6175.600000113.3F63 P83 E88F63-A85 HydrophobicContact CB-CB 4.02Å; P83-A85 PolarHBondContact O-N 3.07Å; A85-E88 PolarHBondContact O-N 2.72Å
86V97.4Very high97.4Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-69.9-35.5173.9176.50000111V59 F63 L72 L74 V82 P83 L84 E88 L89 L92 L95V59-V86 HydrophobicContact CG2-CG2 4.09Å; F63-V86 HydrophobicContact CD1-CG2 4.3Å; F63-V86 HydrophobicContact CE1-CG2 4.44Å; L72-V86 HydrophobicContact CD2-CG1 3.84Å; L72-V86 HydrophobicContact CD2-CG2 4.07Å; L74-V86 HydrophobicContact CD1-CG2 4.42Å; V82-V86 HydrophobicContact CG1-CB 4.35Å; V82-V86 HydrophobicContact CG1-CG1 4.41Å; P83-V86 HydrophobicContact CB-CG2 4.25Å; P83-V86 HydrophobicContact CG-CG2 4.34Å; P83-V86 WeakPolarHBondContact O-CB 3.29Å; P83-V86 PolarHBondContact O-N 3Å; L84-V86 PolarHBondContact O-N 2.94Å; V86-E88 PolarHBondContact O-N 2.96Å; V86-L89 WeakPolarHBondContact O-CB 3.4Å; V86-L89 PolarHBondContact O-N 3.03Å; V86-L92 HydrophobicContact CG1-CD1 4.28Å; V86-L95 HydrophobicContact CG1-CD1 4.17Å; V86-L95 HydrophobicContact CG1-CD2 4.29Å
87C97.4Very high97.4Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-70.4-17178.7-57.90000112.6L84 E108 N111L84-C87 WeakPolarHBondContact O-CA 3.48Å; L84-C87 VanDerWaalsContact O-CB 3.3Å; L84-C87 WeakPolarHBondContact O-CB 3.12Å; L84-C87 PolarHBondContact O-N 3.41Å; C87-E108 HydrophobicContact CB-CB 3.87Å; C87-N111 VanDerWaalsContact O-CB 3.25Å; C87-N111 WeakPolarHBondContact O-CB 3.41Å
88E97.5Very high97.4Very high95 Ų9534.3 Ų34.344%0.44418%0.177SC..THydrogen-bonded Turntrans-85.3-6.9175.7-65.7-179.8176.200113.4S64 Q67 L84 A85 V86 T90S64-E88 WeakPolarHBondContact CB-OE2 3.47Å; S64-E88 PolarHBondContact OG-OE2 3.33Å; Q67-E88 PolarHBondContact NE2-O 3.08Å; L84-E88 PolarHBondContact O-N 3.45Å; A85-E88 PolarHBondContact O-N 2.72Å; V86-E88 PolarHBondContact O-N 2.96Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 PolarHBondContact O-N 2.97Å
89L97.8Very high97.5Very high1 Ų132.3 Ų32.31%0.00517%0.172CC..  trans-8273.1179.4-61.4-179000111.6F63 L66 L69 L72 V86 S91 L92 L112F63-L89 HydrophobicContact CD1-CD1 3.91Å; F63-L89 HydrophobicContact CE1-CD1 3.95Å; F63-L89 WeakPolarHBondContact O-CD2 3.39Å; L66-L89 HydrophobicContact CB-CD2 4.2Å; L66-L89 WeakPolarHBondContact O-CD2 3.17Å; L69-L89 HydrophobicContact CD2-CD1 3.96Å; L72-L89 HydrophobicContact CD2-CD1 4.35Å; V86-L89 WeakPolarHBondContact O-CB 3.4Å; V86-L89 PolarHBondContact O-N 3.03Å; L89-S91 PolarHBondContact O-N 3.34Å; L89-S91 VanDerWaalsContact O-N 3.1Å; L89-L92 HydrophobicContact CB-CD1 3.63Å; L89-L92 HydrophobicContact CB-CG 3.74Å; L89-L92 HydrophobicContact CD1-CD1 4.04Å; L89-L92 HydrophobicContact CD1-CG 4.44Å; L89-L92 HydrophobicContact CG-CD1 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.4Å; L89-L92 WeakPolarHBondContact O-CG 3.34Å; L89-L92 PolarHBondContact O-N 3.3Å; L89-L112 WeakPolarHBondContact O-CD2 3.45Å
90T96.8Very high97.5Very high62 Ų6232.6 Ų32.638%0.3817%0.173SC..THydrogen-bonded Turntrans-63.3-19.4-171.861.20000114.8E88 L92 N114E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 PolarHBondContact O-N 2.97Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-N114 PolarHBondContact O-ND2 2.97Å
91S98.2Very high97.6Very high36 Ų3632.6 Ų32.625%0.25217%0.169SC..THydrogen-bonded Turntrans-79.5-7.8175.5-64.40000114.4Q67 L69 L89 T93Q67-S91 WeakPolarHBondContact O-CB 3.46Å; Q67-S91 PolarHBondContact O-OG 2.74Å; L69-S91 CarbonylContact O-C 3.35Å; L69-S91 VanDerWaalsContact O-C 3.29Å; L89-S91 PolarHBondContact O-N 3.34Å; L89-S91 VanDerWaalsContact O-N 3.1Å; S91-T93 PolarHBondContact O-N 2.8Å
92L98.6Very high97.7Very high0 Ų027.7 Ų27.70%014%0.143CC..  trans-61.2133.3-177.8-80.1176.2000111.6L69 L72 V86 L89 T90 L112 N114 L115L69-L92 HydrophobicContact CB-CD2 4.47Å; L69-L92 HydrophobicContact CD2-CD2 4.24Å; L69-L92 HydrophobicContact CG-CD2 4.25Å; L69-L92 PolarHBondContact O-N 2.92Å; L72-L92 HydrophobicContact CB-CD2 3.79Å; L72-L92 HydrophobicContact CD2-CD1 4.46Å; V86-L92 HydrophobicContact CG1-CD1 4.28Å; L89-L92 HydrophobicContact CB-CD1 3.63Å; L89-L92 HydrophobicContact CB-CG 3.74Å; L89-L92 HydrophobicContact CD1-CD1 4.04Å; L89-L92 HydrophobicContact CD1-CG 4.44Å; L89-L92 HydrophobicContact CG-CD1 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.4Å; L89-L92 WeakPolarHBondContact O-CG 3.34Å; L89-L92 PolarHBondContact O-N 3.3Å; T90-L92 VanDerWaalsContact C-N 3.32Å; L92-L112 HydrophobicContact CD1-CD2 4.35Å; L92-N114 CarbonylContact O-C 3.18Å; L92-L115 HydrophobicContact CB-CD1 4.36Å; L92-L115 WeakPolarHBondContact O-CA 3.25Å; L92-L115 PolarHBondContact O-N 3.17Å
93T98.8Very high97.7Very high22 Ų2232.5 Ų32.514%0.13517%0.166CC..SBendtrans-117.3-29.5175.7600000111.9R70 S91 R116 C117R70-T93 PolarHBondContact O-N 2.97Å; R70-T93 PolarHBondContact O-OG1 2.99Å; S91-T93 PolarHBondContact O-N 2.8Å; T93-R116 WeakPolarHBondContact O-CA 3.43Å; T93-R116 PolarHBondContact O-N 3.24Å; T93-C117 PolarHBondContact O-N 2.82Å
94H98.9Very high97.9Very high63 Ų6335.3 Ų35.329%0.29218%0.183SC..EExtended strand (participates in β ladder)trans-130.1123.6178.9-61.276.3000109R70 T71 L72 Y96 C117R70-H94 PolarHBondContact O-N 3.26Å; T71-H94 WeakPolarHBondContact CA-O 3.02Å; T71-H94 HydrophobicContact CG2-CB 4.02Å; L72-H94 PolarHBondContact N-O 2.93Å; H94-Y96 HydrophobicContact CB-CE2 3.89Å; H94-C117 WeakPolarHBondContact CA-O 3.26Å; H94-C117 VanDerWaalsContact CD2-CB 3.41Å; H94-C117 WeakPolarHBondContact CD2-CB 3.46Å
95L98.8Very high98Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-130.8127.7177.4179.159.8000109.4L72 V86 L97 F109 L112 L115 C117 F118 W119L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.89Å; L72-L95 HydrophobicContact CG-CD1 4.04Å; L72-L95 WeakPolarHBondContact O-CA 3.43Å; V86-L95 HydrophobicContact CG1-CD1 4.17Å; V86-L95 HydrophobicContact CG1-CD2 4.29Å; L95-L97 HydrophobicContact CD1-CD2 4.12Å; L95-L97 HydrophobicContact CD1-CG 4.16Å; L95-L97 HydrophobicContact CD2-CD1 4.14Å; L95-L97 HydrophobicContact CD2-CG 4.39Å; L95-L97 HydrophobicContact CG-CD1 4.35Å; L95-L97 HydrophobicContact CG-CG 4.05Å; L95-F109 HydrophobicContact CD2-CE2 3.85Å; L95-F109 HydrophobicContact CD2-CZ 3.95Å; L95-L112 HydrophobicContact CD2-CD1 4.07Å; L95-L115 HydrophobicContact CB-CD1 3.67Å; L95-C117 PolarHBondContact N-O 2.85Å; L95-F118 HydrophobicContact CB-CD2 4.03Å; L95-F118 HydrophobicContact CD2-CD2 4.11Å; L95-F118 HydrophobicContact CD2-CE2 3.87Å; L95-F118 HydrophobicContact CG-CD2 4.03Å; L95-F118 HydrophobicContact CG-CE2 4Å; L95-F118 WeakPolarHBondContact O-CA 3.44Å; L95-F118 WeakPolarHBondContact O-CD2 3.45Å; L95-W119 PolarHBondContact O-N 3.31Å
96Y98.7Very high98Very high42 Ų4232.1 Ų32.117%0.16517%0.167CC..EExtended strand (participates in β ladder)trans-121.7115.3-179.9-48.4-89.1000110.1T71 L72 A73 L74 D75 H94 W119T71-Y96 HydrophobicContact CG2-CD2 4.49Å; T71-Y96 HydrophobicContact CG2-CE2 3.86Å; L72-Y96 PolarHBondContact O-N 3.16Å; A73-Y96 HydrophobicContact CB-CD2 3.82Å; A73-Y96 HydrophobicContact CB-CG 4.35Å; L74-Y96 PolarHBondContact N-O 3.35Å; D75-Y96 VanDerWaalsContact CG-CB 3.49Å; D75-Y96 VanDerWaalsContact OD1-C 3.23Å; D75-Y96 VanDerWaalsContact OD1-CB 3.26Å; D75-Y96 WeakPolarHBondContact OD1-CB 2.89Å; D75-Y96 WeakPolarHBondContact OD2-CB 3.47Å; H94-Y96 HydrophobicContact CB-CE2 3.89Å; Y96-W119 HydrophobicContact CD1-CB 3.74Å; Y96-W119 AromaticContact CD1-CD2 3.38Å; Y96-W119 HydrophobicContact CD1-CD2 3.38Å; Y96-W119 AromaticContact CD1-CE3 3.48Å; Y96-W119 HydrophobicContact CD1-CE3 3.48Å; Y96-W119 VanDerWaalsContact CD1-CE3 3.48Å; Y96-W119 AromaticContact CD1-CG 3.53Å; Y96-W119 HydrophobicContact CD1-CG 3.53Å; Y96-W119 HydrophobicContact CD1-CZ3 4.15Å; Y96-W119 AromaticContact CE1-CD2 3.53Å; Y96-W119 HydrophobicContact CE1-CD2 3.53Å; Y96-W119 AromaticContact CE1-CE2 3.64Å; Y96-W119 AromaticContact CE1-CE3 3.8Å; Y96-W119 HydrophobicContact CE1-CE3 3.8Å; Y96-W119 AromaticContact CE1-CG 3.89Å; Y96-W119 HydrophobicContact CE1-CG 3.89Å; Y96-W119 HydrophobicContact CE1-CH2 4.24Å; Y96-W119 HydrophobicContact CE1-CZ2 4.01Å; Y96-W119 HydrophobicContact CE1-CZ3 4.14Å
97L98.4Very high98Very high0 Ų035.9 Ų35.90%019%0.192CC..  trans-127.720.5-178.2-62.5-176.9000111.5L74 D75 L79 V82 L95 N100 L102 F118 W119 N123L74-L97 HydrophobicContact CB-CD2 3.85Å; L74-L97 HydrophobicContact CD1-CD2 3.94Å; D75-L97 PolarHBondContact OD1-N 3.44Å; L79-L97 HydrophobicContact CD1-CD2 4.13Å; V82-L97 HydrophobicContact CG1-CD1 4.22Å; V82-L97 HydrophobicContact CG2-CD1 3.7Å; L95-L97 HydrophobicContact CD1-CD2 4.12Å; L95-L97 HydrophobicContact CD1-CG 4.16Å; L95-L97 HydrophobicContact CD2-CD1 4.14Å; L95-L97 HydrophobicContact CD2-CG 4.39Å; L95-L97 HydrophobicContact CG-CD1 4.35Å; L95-L97 HydrophobicContact CG-CG 4.05Å; L97-N100 PolarHBondContact O-ND2 3.37Å; L97-N100 VanDerWaalsContact O-ND2 3.09Å; L97-L102 HydrophobicContact CB-CD1 3.9Å; L97-L102 HydrophobicContact CD1-CD1 3.88Å; L97-L102 HydrophobicContact CG-CD1 4.48Å; L97-F118 HydrophobicContact CB-CE2 4.34Å; L97-F118 HydrophobicContact CD1-CE2 3.81Å; L97-F118 HydrophobicContact CD1-CZ 4.1Å; L97-F118 HydrophobicContact CG-CE2 4.07Å; L97-W119 WeakPolarHBondContact CA-O 3.49Å; L97-W119 PolarHBondContact N-O 2.82Å; L97-N123 PolarHBondContact O-ND2 2.86Å
98G98.1Very high98Very high0 Ų039.7 Ų39.70%021%0.209CC..  trans-60.9152.9179.700000112.6D75 F76 N100 E121D75-G98 CarbonylContact C-O 3.35Å; D75-G98 WeakPolarHBondContact CA-O 3.29Å; D75-G98 WeakPolarHBondContact OD1-CA 3.48Å; D75-G98 PolarHBondContact OD1-N 2.92Å; F76-G98 PolarHBondContact N-O 3.01Å; G98-N100 PolarHBondContact O-N 3.32Å; G98-N100 PolarHBondContact O-ND2 2.99Å; G98-E121 CarbonylContact C-O 3.52Å; G98-E121 VanDerWaalsContact CA-O 3.24Å; G98-E121 WeakPolarHBondContact CA-O 3.39Å
99S98.4Very high98Very high31 Ų3135.2 Ų35.222%0.21719%0.188CC..SBendtrans53.848177.1-60.80000113.8F76 E121 S122F76-S99 WeakPolarHBondContact CA-O 3.24Å; F76-S99 VanDerWaalsContact CE1-OG 3.24Å; F76-S99 WeakPolarHBondContact CE1-OG 3.39Å; S99-E121 PolarHBondContact N-O 3.44Å; S99-S122 WeakPolarHBondContact CA-O 3.47Å
100N98.5Very high98Very high5 Ų536.8 Ų36.83%0.02720%0.198CC..SBendtrans-115-157.3172.2-83.7-76.4000109.8L74 N77 K78 L79 L97 G98 L102 N123L74-N100 PolarHBondContact O-ND2 3.39Å; N77-N100 WeakPolarHBondContact CA-OD1 3.08Å; N77-N100 WeakPolarHBondContact CB-OD1 3.38Å; N77-N100 PolarHBondContact O-OD1 3.03Å; K78-N100 PolarHBondContact N-OD1 3.17Å; L79-N100 HydrophobicContact CB-CB 4.23Å; L79-N100 WeakPolarHBondContact CB-OD1 3.38Å; L79-N100 WeakPolarHBondContact CG-OD1 3.3Å; L79-N100 PolarHBondContact N-OD1 3.09Å; L97-N100 PolarHBondContact O-ND2 3.37Å; L97-N100 VanDerWaalsContact O-ND2 3.09Å; G98-N100 PolarHBondContact O-N 3.32Å; G98-N100 PolarHBondContact O-ND2 2.99Å; N100-L102 HydrophobicContact CB-CG 4.13Å; N100-N123 WeakPolarHBondContact CA-OD1 3.47Å; N100-N123 VanDerWaalsContact CB-OD1 3.3Å; N100-N123 WeakPolarHBondContact CB-OD1 3.2Å; N100-N123 PolarHBondContact N-OD1 3.21Å; N100-N123 PolarHBondContact O-OD1 3.16Å
101R97.9Very high98Very high97 Ų9737.2 Ų37.237%0.36620%0.198SC..  trans-121.325-179.9-54.8179.8175.8-172.4-8.6112.2L79 E80 N123 Y124L79-R101 CarbonylContact O-C 3.33Å; L79-R101 WeakPolarHBondContact O-CA 3.37Å; L79-R101 WeakPolarHBondContact O-CB 3.45Å; L79-R101 PolarHBondContact O-N 3.33Å; E80-R101 HydrophobicContact CG-CB 4.2Å; E80-R101 IonicContact OE1-NH1 4Å; R101-N123 PolarHBondContact N-OD1 3.15Å; R101-Y124 HydrophobicContact CB-CD2 4.14Å; R101-Y124 HydrophobicContact CB-CE2 3.91Å; R101-Y124 HydrophobicContact CG-CE2 4.04Å
102L98.3Very high98Very high0 Ų035.5 Ų35.50%019%0.186CC..  trans-68.5137.7-174.5-56.4175.5000110.8L79 D81 V82 L97 N100 N123 Y124 F125L79-L102 HydrophobicContact CB-CD2 4.19Å; D81-L102 VanDerWaalsContact C-CD2 3.4Å; V82-L102 HydrophobicContact CG2-CD1 3.99Å; V82-L102 HydrophobicContact CG2-CD2 4.1Å; L97-L102 HydrophobicContact CB-CD1 3.9Å; L97-L102 HydrophobicContact CD1-CD1 3.88Å; L97-L102 HydrophobicContact CG-CD1 4.48Å; N100-L102 HydrophobicContact CB-CG 4.13Å; L102-N123 HydrophobicContact CB-CB 4.32Å; L102-N123 VanDerWaalsContact CB-OD1 3.32Å; L102-N123 WeakPolarHBondContact CB-OD1 3.43Å; L102-N123 WeakPolarHBondContact CG-OD1 3.02Å; L102-N123 PolarHBondContact N-OD1 3.21Å; L102-Y124 CarbonylContact O-C 3.5Å; L102-Y124 WeakPolarHBondContact O-CA 3.37Å; L102-Y124 PolarHBondContact O-N 3Å; L102-F125 HydrophobicContact CB-CE2 3.68Å; L102-F125 HydrophobicContact CB-CZ 4.02Å
103M97.9Very high98Very high106 Ų10639.6 Ų39.652%0.52220%0.204SC..  trans-115.2-24.5174.9-62.5-169.4-171.600112.9Y124 F125M103-Y124 HydrophobicContact CE-CD2 4.41Å; M103-F125 WeakPolarHBondContact O-CD1 3.45Å
104T97.7Very high98Very high82 Ų8241.9 Ų41.950%0.50322%0.215SC..  trans-148.7167.1-174.448.80000110.3
105L97.9Very high98Very high9 Ų938.9 Ų38.95%0.04720%0.201CC..  trans-109.8144.9166.6-60.6178.9000109.2V82 F109 F118 F125 P129 L132V82-L105 HydrophobicContact CG2-CD2 3.67Å; L105-F109 HydrophobicContact CB-CB 4.26Å; L105-F109 HydrophobicContact CB-CG 4.29Å; L105-F109 HydrophobicContact CD1-CD1 3.85Å; L105-F109 HydrophobicContact CD1-CD2 4.44Å; L105-F109 HydrophobicContact CD1-CE1 3.97Å; L105-F109 HydrophobicContact CD1-CG 4.1Å; L105-F109 HydrophobicContact CD1-CZ 4.32Å; L105-F109 HydrophobicContact CD2-CD2 4.22Å; L105-F109 HydrophobicContact CD2-CE2 4.22Å; L105-F118 HydrophobicContact CD1-CE1 3.91Å; L105-F118 HydrophobicContact CD1-CZ 4.46Å; L105-F118 HydrophobicContact CD2-CE1 4.4Å; L105-F118 HydrophobicContact CD2-CZ 4.15Å; L105-F125 HydrophobicContact CD2-CE1 4.4Å; L105-F125 HydrophobicContact CD2-CZ 3.89Å; L105-F125 HydrophobicContact CG-CE1 4.09Å; L105-F125 HydrophobicContact CG-CZ 4.09Å; L105-P129 HydrophobicContact CB-CB 4.2Å; L105-P129 HydrophobicContact CD1-CB 3.69Å; L105-P129 HydrophobicContact CD1-CG 3.69Å; L105-P129 HydrophobicContact CG-CB 3.86Å; L105-P129 HydrophobicContact CG-CG 4.15Å; L105-L132 HydrophobicContact CD1-CD1 4.42Å; L105-L132 HydrophobicContact CD1-CD2 3.73Å; L105-L132 HydrophobicContact CD1-CG 3.96Å
106P96.9Very high98Very high24 Ų2443.7 Ų43.716%0.15622%0.219CC..  trans-71.7152.3174.731.4-35.8000111V82 L84 E108 F109V82-P106 HydrophobicContact CB-CG 4.2Å; L84-P106 HydrophobicContact CD2-CB 4.13Å; L84-P106 HydrophobicContact CD2-CG 4.48Å; P106-E108 PolarHBondContact O-N 2.85Å; P106-E108 VanDerWaalsContact O-N 3.16Å; P106-F109 HydrophobicContact CG-CB 4.48Å; P106-F109 WeakPolarHBondContact O-CB 3.32Å; P106-F109 PolarHBondContact O-N 2.83Å
107P97.1Very high98Very high79 Ų7942.3 Ų42.351%0.51322%0.216SC..G310 helixtrans-53.8-33.7177.7-26.434.7000114.3F109 T110P107-F109 PolarHBondContact O-N 3.39Å; P107-F109 VanDerWaalsContact O-N 3.16Å; P107-T110 WeakPolarHBondContact O-CG2 3.36Å; P107-T110 PolarHBondContact O-N 2.67Å; P107-T110 PolarHBondContact O-OG1 3.01Å
108E97.5Very high98Very high80 Ų8042.3 Ų42.337%0.37422%0.216SC..G310 helixtrans-63.5-16.4178-64.578.1-174.400112.4L84 C87 P106 T110 N111L84-E108 HydrophobicContact CD2-CB 4.2Å; L84-E108 HydrophobicContact CD2-CG 4.02Å; C87-E108 HydrophobicContact CB-CB 3.87Å; P106-E108 PolarHBondContact O-N 2.85Å; P106-E108 VanDerWaalsContact O-N 3.16Å; E108-T110 PolarHBondContact O-N 3.22Å; E108-N111 WeakPolarHBondContact O-CB 3.4Å; E108-N111 PolarHBondContact O-N 2.84Å; E108-N111 PolarHBondContact O-ND2 3.36Å
109F97.9Very high98Very high0 Ų046.6 Ų46.60%023%0.232CC..G310 helixtrans-58.1-25175.5-159.7-91.3000112.3V82 L95 L105 P106 P107 N111 L112 L115 F118 E131 L132 L135V82-F109 HydrophobicContact CG1-CD2 4.3Å; V82-F109 HydrophobicContact CG1-CE2 4.35Å; L95-F109 HydrophobicContact CD2-CE2 3.85Å; L95-F109 HydrophobicContact CD2-CZ 3.95Å; L105-F109 HydrophobicContact CB-CB 4.26Å; L105-F109 HydrophobicContact CB-CG 4.29Å; L105-F109 HydrophobicContact CD1-CD1 3.85Å; L105-F109 HydrophobicContact CD1-CD2 4.44Å; L105-F109 HydrophobicContact CD1-CE1 3.97Å; L105-F109 HydrophobicContact CD1-CG 4.1Å; L105-F109 HydrophobicContact CD1-CZ 4.32Å; L105-F109 HydrophobicContact CD2-CD2 4.22Å; L105-F109 HydrophobicContact CD2-CE2 4.22Å; P106-F109 HydrophobicContact CG-CB 4.48Å; P106-F109 WeakPolarHBondContact O-CB 3.32Å; P106-F109 PolarHBondContact O-N 2.83Å; P107-F109 PolarHBondContact O-N 3.39Å; P107-F109 VanDerWaalsContact O-N 3.16Å; F109-N111 PolarHBondContact O-N 3.01Å; F109-N111 VanDerWaalsContact O-N 3.12Å; F109-L112 HydrophobicContact CD2-CD1 4.08Å; F109-L112 HydrophobicContact CE1-CD1 4.31Å; F109-L112 HydrophobicContact CE2-CD1 3.78Å; F109-L112 HydrophobicContact CG-CD1 4.47Å; F109-L112 HydrophobicContact CZ-CD1 3.9Å; F109-L112 PolarHBondContact O-N 2.81Å; F109-L115 HydrophobicContact CE1-CD2 4.15Å; F109-L115 HydrophobicContact CZ-CD2 4.1Å; F109-F118 HydrophobicContact CE1-CD1 4.01Å; F109-F118 AromaticContact CE1-CE1 3.69Å; F109-F118 HydrophobicContact CE1-CE1 3.69Å; F109-F118 HydrophobicContact CE1-CZ 4.2Å; F109-F118 HydrophobicContact CE2-CE1 4.25Å; F109-F118 HydrophobicContact CE2-CE2 4.41Å; F109-F118 AromaticContact CE2-CZ 3.92Å; F109-F118 HydrophobicContact CE2-CZ 3.92Å; F109-F118 AromaticContact CZ-CD1 3.84Å; F109-F118 HydrophobicContact CZ-CD1 3.84Å; F109-F118 HydrophobicContact CZ-CD2 4.28Å; F109-F118 AromaticContact CZ-CE1 3.34Å; F109-F118 HydrophobicContact CZ-CE1 3.34Å; F109-F118 AromaticContact CZ-CE2 3.87Å; F109-F118 HydrophobicContact CZ-CE2 3.87Å; F109-F118 HydrophobicContact CZ-CG 4.3Å; F109-F118 AromaticContact CZ-CZ 3.38Å; F109-F118 HydrophobicContact CZ-CZ 3.38Å; F109-E131 HydrophobicContact CB-CB 4.32Å; F109-L132 HydrophobicContact CD1-CD2 3.94Å; F109-L132 HydrophobicContact CE1-CD2 3.54Å; F109-L135 HydrophobicContact CD1-CD1 4.12Å; F109-L135 HydrophobicContact CE1-CD1 3.83Å
110T97.1Very high98Very high34 Ų3445.1 Ų45.121%0.20922%0.222CC..G310 helixtrans-61.3-15.4173.260.60000113.7P107 E108 L112 K113 E131 D134P107-T110 WeakPolarHBondContact O-CG2 3.36Å; P107-T110 PolarHBondContact O-N 2.67Å; P107-T110 PolarHBondContact O-OG1 3.01Å; E108-T110 PolarHBondContact O-N 3.22Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.18Å; T110-K113 VanDerWaalsContact O-CD 3.24Å; T110-K113 WeakPolarHBondContact O-CD 3.34Å; T110-K113 WeakPolarHBondContact O-CE 3.47Å; T110-K113 PolarHBondContact O-NZ 3.1Å; T110-E131 HydrophobicContact CG2-CB 3.99Å; T110-E131 HydrophobicContact CG2-CG 4.34Å; T110-D134 HydrophobicContact CG2-CB 4.16Å
111N97.8Very high97.9Very high72 Ų7245.9 Ų45.939%0.38523%0.225SC..G310 helixtrans-70.1-20.2176.9-68.1-19.8000113.5C87 E108 F109 K113C87-N111 VanDerWaalsContact O-CB 3.25Å; C87-N111 WeakPolarHBondContact O-CB 3.41Å; E108-N111 WeakPolarHBondContact O-CB 3.4Å; E108-N111 PolarHBondContact O-N 2.84Å; E108-N111 PolarHBondContact O-ND2 3.36Å; F109-N111 PolarHBondContact O-N 3.01Å; F109-N111 VanDerWaalsContact O-N 3.12Å; N111-K113 PolarHBondContact O-N 3.03Å
112L98.1Very high98Very high0 Ų043.4 Ų43.40%022%0.223CC..  trans-7854.6-176.5-58.1-177.9000112.5L89 L92 L95 F109 T110 N114 L115L89-L112 WeakPolarHBondContact O-CD2 3.45Å; L92-L112 HydrophobicContact CD1-CD2 4.35Å; L95-L112 HydrophobicContact CD2-CD1 4.07Å; F109-L112 HydrophobicContact CD2-CD1 4.08Å; F109-L112 HydrophobicContact CE1-CD1 4.31Å; F109-L112 HydrophobicContact CE2-CD1 3.78Å; F109-L112 HydrophobicContact CG-CD1 4.47Å; F109-L112 HydrophobicContact CZ-CD1 3.9Å; F109-L112 PolarHBondContact O-N 2.81Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.18Å; L112-N114 PolarHBondContact O-N 2.97Å; L112-N114 VanDerWaalsContact O-N 3.11Å; L112-L115 HydrophobicContact CB-CB 4.16Å; L112-L115 HydrophobicContact CD1-CD2 4.41Å; L112-L115 VanDerWaalsContact O-CB 3.22Å; L112-L115 WeakPolarHBondContact O-CB 3.45Å; L112-L115 PolarHBondContact O-N 2.94Å
113K97.6Very high98Very high86 Ų8643.5 Ų43.537%0.37422%0.223SC..THydrogen-bonded Turntrans-62.1-22.9-172.1-61.4-54.6-171.4-1610114.2T110 N111 D134 N137T110-K113 VanDerWaalsContact O-CD 3.24Å; T110-K113 WeakPolarHBondContact O-CD 3.34Å; T110-K113 WeakPolarHBondContact O-CE 3.47Å; T110-K113 PolarHBondContact O-NZ 3.1Å; N111-K113 PolarHBondContact O-N 3.03Å; K113-D134 PolarHBondContact NZ-O 3.23Å; K113-N137 PolarHBondContact O-ND2 3.37Å
114N98.3Very high98Very high70 Ų7042.6 Ų42.637%0.37422%0.215SC..THydrogen-bonded Turntrans-89.3-1.9178.3-69.4-54.2000113.9T90 L92 L112 R116T90-N114 PolarHBondContact O-ND2 2.97Å; L92-N114 CarbonylContact O-C 3.18Å; L112-N114 PolarHBondContact O-N 2.97Å; L112-N114 VanDerWaalsContact O-N 3.11Å; N114-R116 WeakPolarHBondContact O-CG 3.22Å; N114-R116 PolarHBondContact O-N 3.32Å
115L98.6Very high98Very high0 Ų038.8 Ų38.80%019%0.191CC..  trans-65.7128-176.5-162.868.8000110.7L92 L95 F109 L112 F118 L135 N137 L138L92-L115 HydrophobicContact CB-CD1 4.36Å; L92-L115 WeakPolarHBondContact O-CA 3.25Å; L92-L115 PolarHBondContact O-N 3.17Å; L95-L115 HydrophobicContact CB-CD1 3.67Å; F109-L115 HydrophobicContact CE1-CD2 4.15Å; F109-L115 HydrophobicContact CZ-CD2 4.1Å; L112-L115 HydrophobicContact CB-CB 4.16Å; L112-L115 HydrophobicContact CD1-CD2 4.41Å; L112-L115 VanDerWaalsContact O-CB 3.22Å; L112-L115 WeakPolarHBondContact O-CB 3.45Å; L112-L115 PolarHBondContact O-N 2.94Å; L115-F118 HydrophobicContact CD2-CB 3.82Å; L115-F118 HydrophobicContact CD2-CD1 4.44Å; L115-F118 HydrophobicContact CD2-CD2 4.42Å; L115-F118 HydrophobicContact CD2-CG 3.99Å; L115-F118 HydrophobicContact CG-CB 4.46Å; L115-L135 HydrophobicContact CD2-CD1 4.19Å; L115-N137 CarbonylContact O-C 3.24Å; L115-L138 HydrophobicContact CD2-CD1 4.45Å; L115-L138 HydrophobicContact CG-CD1 4.37Å; L115-L138 VanDerWaalsContact O-CA 3.31Å; L115-L138 WeakPolarHBondContact O-CA 3.19Å; L115-L138 PolarHBondContact O-N 2.96Å; L115-L138 VanDerWaalsContact O-N 3.15Å
116R98.7Very high98Very high100 Ų10043.9 Ų43.938%0.37722%0.215SC..  trans-114.8-35.5-177.4-63177.6-170.9-84.44.8112.1T93 N114 N137 K139 S140T93-R116 WeakPolarHBondContact O-CA 3.43Å; T93-R116 PolarHBondContact O-N 3.24Å; N114-R116 WeakPolarHBondContact O-CG 3.22Å; N114-R116 PolarHBondContact O-N 3.32Å; R116-N137 WeakPolarHBondContact CA-O 3.49Å; R116-N137 HydrophobicContact CG-CB 4.46Å; R116-K139 PolarHBondContact O-N 3.25Å; R116-S140 PolarHBondContact O-N 3.04Å
117C98.8Very high98Very high13 Ų1352.6 Ų52.69%0.08824%0.244CC..EExtended strand (participates in β ladder)trans-128.5125179.9-173.10000109.5T93 H94 L95 W119 S140T93-C117 PolarHBondContact O-N 2.82Å; H94-C117 WeakPolarHBondContact CA-O 3.26Å; H94-C117 VanDerWaalsContact CD2-CB 3.41Å; H94-C117 WeakPolarHBondContact CD2-CB 3.46Å; L95-C117 PolarHBondContact N-O 2.85Å; C117-W119 VanDerWaalsContact SG-CD1 3.55Å; C117-W119 PolarHBondContact SG-NE1 3.45Å; C117-S140 WeakPolarHBondContact CA-O 3.42Å
118F98.8Very high98Very high0 Ų049.7 Ų49.70%022%0.224CC..EExtended strand (participates in β ladder)trans-133.4121.6178.6-174.2-150.4000111.4L95 L97 L105 F109 L115 L120 L132 L138 S140 L141 Q142L95-F118 HydrophobicContact CB-CD2 4.03Å; L95-F118 HydrophobicContact CD2-CD2 4.11Å; L95-F118 HydrophobicContact CD2-CE2 3.87Å; L95-F118 HydrophobicContact CG-CD2 4.03Å; L95-F118 HydrophobicContact CG-CE2 4Å; L95-F118 WeakPolarHBondContact O-CA 3.44Å; L95-F118 WeakPolarHBondContact O-CD2 3.45Å; L97-F118 HydrophobicContact CB-CE2 4.34Å; L97-F118 HydrophobicContact CD1-CE2 3.81Å; L97-F118 HydrophobicContact CD1-CZ 4.1Å; L97-F118 HydrophobicContact CG-CE2 4.07Å; L105-F118 HydrophobicContact CD1-CE1 3.91Å; L105-F118 HydrophobicContact CD1-CZ 4.46Å; L105-F118 HydrophobicContact CD2-CE1 4.4Å; L105-F118 HydrophobicContact CD2-CZ 4.15Å; F109-F118 HydrophobicContact CE1-CD1 4.01Å; F109-F118 AromaticContact CE1-CE1 3.69Å; F109-F118 HydrophobicContact CE1-CE1 3.69Å; F109-F118 HydrophobicContact CE1-CZ 4.2Å; F109-F118 HydrophobicContact CE2-CE1 4.25Å; F109-F118 HydrophobicContact CE2-CE2 4.41Å; F109-F118 AromaticContact CE2-CZ 3.92Å; F109-F118 HydrophobicContact CE2-CZ 3.92Å; F109-F118 AromaticContact CZ-CD1 3.84Å; F109-F118 HydrophobicContact CZ-CD1 3.84Å; F109-F118 HydrophobicContact CZ-CD2 4.28Å; F109-F118 AromaticContact CZ-CE1 3.34Å; F109-F118 HydrophobicContact CZ-CE1 3.34Å; F109-F118 AromaticContact CZ-CE2 3.87Å; F109-F118 HydrophobicContact CZ-CE2 3.87Å; F109-F118 HydrophobicContact CZ-CG 4.3Å; F109-F118 AromaticContact CZ-CZ 3.38Å; F109-F118 HydrophobicContact CZ-CZ 3.38Å; L115-F118 HydrophobicContact CD2-CB 3.82Å; L115-F118 HydrophobicContact CD2-CD1 4.44Å; L115-F118 HydrophobicContact CD2-CD2 4.42Å; L115-F118 HydrophobicContact CD2-CG 3.99Å; L115-F118 HydrophobicContact CG-CB 4.46Å; F118-L120 HydrophobicContact CD1-CD2 3.61Å; F118-L120 HydrophobicContact CD2-CD2 4.33Å; F118-L120 HydrophobicContact CE1-CD1 4.28Å; F118-L120 HydrophobicContact CE1-CD2 3.6Å; F118-L120 HydrophobicContact CE1-CG 4.38Å; F118-L120 HydrophobicContact CE2-CB 4.36Å; F118-L120 HydrophobicContact CE2-CD2 4.3Å; F118-L120 HydrophobicContact CG-CD2 3.98Å; F118-L120 HydrophobicContact CZ-CB 4.12Å; F118-L120 HydrophobicContact CZ-CD1 4.48Å; F118-L120 HydrophobicContact CZ-CD2 3.94Å; F118-L120 HydrophobicContact CZ-CG 4.42Å; F118-L132 HydrophobicContact CD1-CD1 4.47Å; F118-L132 HydrophobicContact CD1-CD2 3.8Å; F118-L132 HydrophobicContact CE1-CD2 3.89Å; F118-L138 HydrophobicContact CB-CD1 3.81Å; F118-S140 PolarHBondContact N-O 3.44Å; F118-L141 HydrophobicContact CB-CD1 4.21Å; F118-L141 HydrophobicContact CD1-CD1 3.94Å; F118-L141 HydrophobicContact CG-CD1 4.42Å; F118-L141 WeakPolarHBondContact O-CA 3.37Å; F118-Q142 PolarHBondContact O-N 3.37Å
119W98.6Very high98Very high91 Ų9146.2 Ų46.235%0.34521%0.208SC..EExtended strand (participates in β ladder)trans-114127.7-179.9-70.520000110.5L95 Y96 L97 C117 E121 Q142L95-W119 PolarHBondContact O-N 3.31Å; Y96-W119 HydrophobicContact CD1-CB 3.74Å; Y96-W119 AromaticContact CD1-CD2 3.38Å; Y96-W119 HydrophobicContact CD1-CD2 3.38Å; Y96-W119 AromaticContact CD1-CE3 3.48Å; Y96-W119 HydrophobicContact CD1-CE3 3.48Å; Y96-W119 VanDerWaalsContact CD1-CE3 3.48Å; Y96-W119 AromaticContact CD1-CG 3.53Å; Y96-W119 HydrophobicContact CD1-CG 3.53Å; Y96-W119 HydrophobicContact CD1-CZ3 4.15Å; Y96-W119 AromaticContact CE1-CD2 3.53Å; Y96-W119 HydrophobicContact CE1-CD2 3.53Å; Y96-W119 AromaticContact CE1-CE2 3.64Å; Y96-W119 AromaticContact CE1-CE3 3.8Å; Y96-W119 HydrophobicContact CE1-CE3 3.8Å; Y96-W119 AromaticContact CE1-CG 3.89Å; Y96-W119 HydrophobicContact CE1-CG 3.89Å; Y96-W119 HydrophobicContact CE1-CH2 4.24Å; Y96-W119 HydrophobicContact CE1-CZ2 4.01Å; Y96-W119 HydrophobicContact CE1-CZ3 4.14Å; L97-W119 WeakPolarHBondContact CA-O 3.49Å; L97-W119 PolarHBondContact N-O 2.82Å; C117-W119 VanDerWaalsContact SG-CD1 3.55Å; C117-W119 PolarHBondContact SG-NE1 3.45Å; W119-E121 WeakPolarHBondContact CB-OE2 3.36Å; W119-Q142 HydrophobicContact CB-CB 4.19Å; W119-Q142 VanDerWaalsContact CD1-CG 3.4Å; W119-Q142 HydrophobicContact CD2-CB 4.47Å; W119-Q142 HydrophobicContact CD2-CG 4.09Å; W119-Q142 HydrophobicContact CG-CB 3.85Å; W119-Q142 HydrophobicContact CG-CG 3.84Å
120L97.4Very high97.8Very high0 Ų054.1 Ų54.10%024%0.238CC..  trans-149.726.5-176.961.9153000111F118 N123 F125 L141 Q142 M143 N146F118-L120 HydrophobicContact CD1-CD2 3.61Å; F118-L120 HydrophobicContact CD2-CD2 4.33Å; F118-L120 HydrophobicContact CE1-CD1 4.28Å; F118-L120 HydrophobicContact CE1-CD2 3.6Å; F118-L120 HydrophobicContact CE1-CG 4.38Å; F118-L120 HydrophobicContact CE2-CB 4.36Å; F118-L120 HydrophobicContact CE2-CD2 4.3Å; F118-L120 HydrophobicContact CG-CD2 3.98Å; F118-L120 HydrophobicContact CZ-CB 4.12Å; F118-L120 HydrophobicContact CZ-CD1 4.48Å; F118-L120 HydrophobicContact CZ-CD2 3.94Å; F118-L120 HydrophobicContact CZ-CG 4.42Å; L120-N123 PolarHBondContact O-ND2 2.78Å; L120-F125 HydrophobicContact CD1-CD2 4.01Å; L120-F125 HydrophobicContact CD1-CE2 3.66Å; L120-F125 HydrophobicContact CD1-CZ 3.96Å; L120-L141 HydrophobicContact CD2-CD1 3.48Å; L120-L141 VanDerWaalsContact CD2-CD1 3.48Å; L120-Q142 WeakPolarHBondContact CD2-O 3.37Å; L120-Q142 WeakPolarHBondContact CG-O 3.42Å; L120-Q142 PolarHBondContact N-O 2.93Å; L120-M143 HydrophobicContact CD1-CE 3.59Å; L120-M143 HydrophobicContact CD1-CG 3.63Å; L120-M143 HydrophobicContact CD1-SD 4.01Å; L120-M143 HydrophobicContact CD2-CG 3.58Å; L120-M143 HydrophobicContact CG-CG 3.58Å; L120-N146 PolarHBondContact O-ND2 2.75Å
121E98.1Very high97.8Very high21 Ų2153.5 Ų53.510%0.09823%0.233CC..  trans-60.3159.1173.871.1-7417300112G98 S99 W119 N123 Q142 G144G98-E121 CarbonylContact C-O 3.52Å; G98-E121 VanDerWaalsContact CA-O 3.24Å; G98-E121 WeakPolarHBondContact CA-O 3.39Å; S99-E121 PolarHBondContact N-O 3.44Å; W119-E121 WeakPolarHBondContact CB-OE2 3.36Å; E121-N123 VanDerWaalsContact C-N 3.32Å; E121-N123 PolarHBondContact O-N 2.92Å; E121-N123 PolarHBondContact O-ND2 2.87Å; E121-N123 VanDerWaalsContact O-ND2 3.16Å; E121-Q142 PolarHBondContact N-O 2.8Å; E121-G144 CarbonylContact C-O 3.55Å; E121-G144 WeakPolarHBondContact CA-O 3.11Å; E121-G144 WeakPolarHBondContact CB-O 3.25Å
122S98.4Very high97.7Very high44 Ų4450.1 Ų50.131%0.30822%0.215SC..SBendtrans54.944.7178.3-690000113.5S99 G144 D145S99-S122 WeakPolarHBondContact CA-O 3.47Å; S122-G144 PolarHBondContact N-O 3.26Å; S122-D145 WeakPolarHBondContact CA-O 3.3Å
123N98.7Very high97.5Very high3 Ų351.3 Ų51.32%0.01622%0.219CC..SBendtrans-117.7-165173-83.2-77.4000109.9L97 N100 R101 L102 L120 E121 F125 N146L97-N123 PolarHBondContact O-ND2 2.86Å; N100-N123 WeakPolarHBondContact CA-OD1 3.47Å; N100-N123 VanDerWaalsContact CB-OD1 3.3Å; N100-N123 WeakPolarHBondContact CB-OD1 3.2Å; N100-N123 PolarHBondContact N-OD1 3.21Å; N100-N123 PolarHBondContact O-OD1 3.16Å; R101-N123 PolarHBondContact N-OD1 3.15Å; L102-N123 HydrophobicContact CB-CB 4.32Å; L102-N123 VanDerWaalsContact CB-OD1 3.32Å; L102-N123 WeakPolarHBondContact CB-OD1 3.43Å; L102-N123 WeakPolarHBondContact CG-OD1 3.02Å; L102-N123 PolarHBondContact N-OD1 3.21Å; L120-N123 PolarHBondContact O-ND2 2.78Å; E121-N123 VanDerWaalsContact C-N 3.32Å; E121-N123 PolarHBondContact O-N 2.92Å; E121-N123 PolarHBondContact O-ND2 2.87Å; E121-N123 VanDerWaalsContact O-ND2 3.16Å; N123-F125 HydrophobicContact CB-CD2 3.82Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; N123-N146 WeakPolarHBondContact CA-OD1 3.38Å; N123-N146 WeakPolarHBondContact CB-OD1 3.36Å; N123-N146 PolarHBondContact O-OD1 3.24Å
124Y98.2Very high97Very high87 Ų8750.4 Ų50.434%0.34122%0.218SC..  trans-117.625.7-175.1-58.5-54.7000113.7R101 L102 M103 Q126 N146R101-Y124 HydrophobicContact CB-CD2 4.14Å; R101-Y124 HydrophobicContact CB-CE2 3.91Å; R101-Y124 HydrophobicContact CG-CE2 4.04Å; L102-Y124 CarbonylContact O-C 3.5Å; L102-Y124 WeakPolarHBondContact O-CA 3.37Å; L102-Y124 PolarHBondContact O-N 3Å; M103-Y124 HydrophobicContact CE-CD2 4.41Å; Y124-Q126 PolarHBondContact O-N 3.37Å; Y124-Q126 VanDerWaalsContact O-N 3.15Å; Y124-N146 PolarHBondContact N-OD1 3.39Å
125F98.3Very high96.9Very high1 Ų147.5 Ų47.50%0.00420%0.203CC..  trans-62117.2178.8-74.1-93.4000111.2L102 M103 L105 L120 N123 P129 M143 N146 R147 L148L102-F125 HydrophobicContact CB-CE2 3.68Å; L102-F125 HydrophobicContact CB-CZ 4.02Å; M103-F125 WeakPolarHBondContact O-CD1 3.45Å; L105-F125 HydrophobicContact CD2-CE1 4.4Å; L105-F125 HydrophobicContact CD2-CZ 3.89Å; L105-F125 HydrophobicContact CG-CE1 4.09Å; L105-F125 HydrophobicContact CG-CZ 4.09Å; L120-F125 HydrophobicContact CD1-CD2 4.01Å; L120-F125 HydrophobicContact CD1-CE2 3.66Å; L120-F125 HydrophobicContact CD1-CZ 3.96Å; N123-F125 HydrophobicContact CB-CD2 3.82Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; F125-P129 HydrophobicContact CD1-CG 4.39Å; F125-P129 HydrophobicContact CE1-CB 4.3Å; F125-P129 HydrophobicContact CE1-CG 4.12Å; F125-M143 HydrophobicContact CB-CE 4.34Å; F125-M143 HydrophobicContact CD1-CE 4.49Å; F125-M143 HydrophobicContact CG-CE 4.28Å; F125-N146 HydrophobicContact CB-CB 4.35Å; F125-N146 WeakPolarHBondContact CB-OD1 3.49Å; F125-N146 WeakPolarHBondContact CD2-OD1 3.07Å; F125-N146 PolarHBondContact N-OD1 3.38Å; F125-R147 CarbonylContact O-C 3.3Å; F125-R147 VanDerWaalsContact O-C 3.24Å; F125-R147 VanDerWaalsContact O-CA 3.27Å; F125-R147 WeakPolarHBondContact O-CA 3.4Å; F125-R147 WeakPolarHBondContact O-CB 3.38Å; F125-R147 PolarHBondContact O-N 3.15Å; F125-L148 HydrophobicContact CB-CD2 4.25Å; F125-L148 PolarHBondContact O-N 3.01Å
126Q97.6Very high96.8Very high117 Ų11750.8 Ų50.855%0.54723%0.225SC..SBendtrans-93.5-21.2174.9-62.7-177.946.200112.5Y124 R147Y124-Q126 PolarHBondContact O-N 3.37Å; Y124-Q126 VanDerWaalsContact O-N 3.15Å; Q126-R147 HydrophobicContact CG-CB 4.12Å
127R97.3Very high96.8Very high207 Ų20748.5 Ų48.578%0.78122%0.22SC*.SBendtrans-132.8151.6177.6-65.8-173.2176.397-1108.8
128F97.2Very high96.7Very high17 Ų1748 Ų488%0.07522%0.216CC..  trans-68.5131.8173.9-169.7-88.1000110R130 L132 Y133 L141 M143 L151 P152 F155 M158F128-R130 PolarHBondContact O-N 2.92Å; F128-L132 HydrophobicContact CE1-CB 4.03Å; F128-L132 HydrophobicContact CE1-CD1 4.2Å; F128-L132 HydrophobicContact CE2-CD1 4.33Å; F128-L132 HydrophobicContact CZ-CB 4.09Å; F128-L132 HydrophobicContact CZ-CD1 3.67Å; F128-L132 HydrophobicContact CZ-CG 4.44Å; F128-Y133 AromaticContact CD1-CE1 3.62Å; F128-Y133 HydrophobicContact CD1-CE1 3.62Å; F128-Y133 HydrophobicContact CE1-CD1 4.1Å; F128-Y133 AromaticContact CE1-CE1 3.5Å; F128-Y133 HydrophobicContact CE1-CE1 3.5Å; F128-Y133 VanDerWaalsContact CE1-CE1 3.5Å; F128-L141 HydrophobicContact CE2-CD2 3.84Å; F128-L141 HydrophobicContact CZ-CD2 3.86Å; F128-M143 HydrophobicContact CD2-CE 4.17Å; F128-M143 HydrophobicContact CD2-SD 3.72Å; F128-M143 HydrophobicContact CE2-CE 4.33Å; F128-M143 HydrophobicContact CE2-SD 3.34Å; F128-M143 WeakPolarHBondContact CE2-SD 3.21Å; F128-M143 HydrophobicContact CZ-SD 4.26Å; F128-L151 HydrophobicContact CB-CD2 4.42Å; F128-L151 HydrophobicContact CD2-CD2 3.81Å; F128-L151 HydrophobicContact CG-CD2 4.32Å; F128-P152 HydrophobicContact CB-CG 3.99Å; F128-P152 HydrophobicContact CD1-CG 4.15Å; F128-P152 HydrophobicContact CG-CG 4.33Å; F128-F155 HydrophobicContact CD1-CD2 4.1Å; F128-F155 HydrophobicContact CD1-CE2 4.47Å; F128-F155 HydrophobicContact CD2-CD2 4.23Å; F128-F155 HydrophobicContact CD2-CE2 4Å; F128-F155 AromaticContact CE1-CD2 3.78Å; F128-F155 HydrophobicContact CE1-CD2 3.78Å; F128-F155 AromaticContact CE1-CE2 3.9Å; F128-F155 HydrophobicContact CE1-CE2 3.9Å; F128-F155 AromaticContact CE2-CD2 3.92Å; F128-F155 HydrophobicContact CE2-CD2 3.92Å; F128-F155 AromaticContact CE2-CE2 3.35Å; F128-F155 HydrophobicContact CE2-CE2 3.35Å; F128-F155 HydrophobicContact CE2-CZ 4.37Å; F128-F155 HydrophobicContact CG-CD2 4.32Å; F128-F155 AromaticContact CZ-CD2 3.71Å; F128-F155 HydrophobicContact CZ-CD2 3.71Å; F128-F155 AromaticContact CZ-CE2 3.31Å; F128-F155 HydrophobicContact CZ-CE2 3.31Å; F128-M158 HydrophobicContact CE1-SD 4.03Å; F128-M158 HydrophobicContact CZ-CE 4.41Å; F128-M158 HydrophobicContact CZ-SD 3.8Å
129P95.9Very high96.7Very high8 Ų852.3 Ų52.35%0.05224%0.235CC..  trans-75123.9179.628.6-32.2000111.1L105 F125 E131 L132 M143L105-P129 HydrophobicContact CB-CB 4.2Å; L105-P129 HydrophobicContact CD1-CB 3.69Å; L105-P129 HydrophobicContact CD1-CG 3.69Å; L105-P129 HydrophobicContact CG-CB 3.86Å; L105-P129 HydrophobicContact CG-CG 4.15Å; F125-P129 HydrophobicContact CD1-CG 4.39Å; F125-P129 HydrophobicContact CE1-CB 4.3Å; F125-P129 HydrophobicContact CE1-CG 4.12Å; P129-E131 PolarHBondContact O-N 3.05Å; P129-L132 HydrophobicContact CG-CD1 3.62Å; P129-L132 HydrophobicContact CG-CG 3.88Å; P129-L132 PolarHBondContact O-N 3.28Å; P129-M143 HydrophobicContact CG-CE 4.3Å
130R94.9Very high96.7Very high165 Ų16549.1 Ų49.162%0.62323%0.227SC*.G310 helixtrans-70.5-22-175.463.1178.5179.8176.51.8113.2F128 L132 Y133F128-R130 PolarHBondContact O-N 2.92Å; R130-L132 PolarHBondContact O-N 2.86Å; R130-Y133 VanDerWaalsContact CA-CE2 3.48Å; R130-Y133 HydrophobicContact CB-CD2 3.98Å; R130-Y133 HydrophobicContact CB-CE2 3.46Å; R130-Y133 VanDerWaalsContact CB-CE2 3.46Å; R130-Y133 WeakPolarHBondContact O-CB 3.34Å; R130-Y133 WeakPolarHBondContact O-CD2 3.13Å; R130-Y133 PolarHBondContact O-N 2.77Å
131E95.9Very high96.8Very high22 Ų2249.1 Ų49.110%0.10323%0.227CC..G310 helixtrans-60.7-25.3-179.8-6467.7-147.200111.3F109 T110 P129 Y133 D134F109-E131 HydrophobicContact CB-CB 4.32Å; T110-E131 HydrophobicContact CG2-CB 3.99Å; T110-E131 HydrophobicContact CG2-CG 4.34Å; P129-E131 PolarHBondContact O-N 3.05Å; E131-Y133 VanDerWaalsContact C-N 3.29Å; E131-Y133 PolarHBondContact O-N 2.8Å; E131-D134 PolarHBondContact O-N 3.26Å
132L96.6Very high96.8Very high0 Ų049.3 Ų49.30%023%0.227CC..G310 helixtrans-71.7-18.7177.3-60.7-175.6000113.8L105 F109 F118 F128 P129 R130 D134 L135 L138 L141 M143 M158L105-L132 HydrophobicContact CD1-CD1 4.42Å; L105-L132 HydrophobicContact CD1-CD2 3.73Å; L105-L132 HydrophobicContact CD1-CG 3.96Å; F109-L132 HydrophobicContact CD1-CD2 3.94Å; F109-L132 HydrophobicContact CE1-CD2 3.54Å; F118-L132 HydrophobicContact CD1-CD1 4.47Å; F118-L132 HydrophobicContact CD1-CD2 3.8Å; F118-L132 HydrophobicContact CE1-CD2 3.89Å; F128-L132 HydrophobicContact CE1-CB 4.03Å; F128-L132 HydrophobicContact CE1-CD1 4.2Å; F128-L132 HydrophobicContact CE2-CD1 4.33Å; F128-L132 HydrophobicContact CZ-CB 4.09Å; F128-L132 HydrophobicContact CZ-CD1 3.67Å; F128-L132 HydrophobicContact CZ-CG 4.44Å; P129-L132 HydrophobicContact CG-CD1 3.62Å; P129-L132 HydrophobicContact CG-CG 3.88Å; P129-L132 PolarHBondContact O-N 3.28Å; R130-L132 PolarHBondContact O-N 2.86Å; L132-D134 PolarHBondContact O-N 3.34Å; L132-L135 HydrophobicContact CD2-CD1 3.71Å; L132-L135 PolarHBondContact O-N 2.67Å; L132-L138 HydrophobicContact CD2-CD2 4.45Å; L132-L141 HydrophobicContact CD1-CD1 3.91Å; L132-L141 HydrophobicContact CD1-CD2 3.93Å; L132-M143 HydrophobicContact CD1-SD 4.42Å; L132-M158 HydrophobicContact CB-CE 3.98Å; L132-M158 HydrophobicContact CB-SD 4.39Å
133Y93.1Very high96.8Very high25 Ų2547.2 Ų47.210%0.09821%0.213CC..G310 helixtrans-66-27177.7-50.9-29000112.4F128 R130 E131 L135 P152 D154 F155 M158F128-Y133 AromaticContact CD1-CE1 3.62Å; F128-Y133 HydrophobicContact CD1-CE1 3.62Å; F128-Y133 HydrophobicContact CE1-CD1 4.1Å; F128-Y133 AromaticContact CE1-CE1 3.5Å; F128-Y133 HydrophobicContact CE1-CE1 3.5Å; F128-Y133 VanDerWaalsContact CE1-CE1 3.5Å; R130-Y133 VanDerWaalsContact CA-CE2 3.48Å; R130-Y133 HydrophobicContact CB-CD2 3.98Å; R130-Y133 HydrophobicContact CB-CE2 3.46Å; R130-Y133 VanDerWaalsContact CB-CE2 3.46Å; R130-Y133 WeakPolarHBondContact O-CB 3.34Å; R130-Y133 WeakPolarHBondContact O-CD2 3.13Å; R130-Y133 PolarHBondContact O-N 2.77Å; E131-Y133 VanDerWaalsContact C-N 3.29Å; E131-Y133 PolarHBondContact O-N 2.8Å; Y133-L135 VanDerWaalsContact C-N 3.32Å; Y133-P152 HydrophobicContact CE1-CG 4.27Å; Y133-P152 WeakPolarHBondContact OH-CB 3.3Å; Y133-P152 WeakPolarHBondContact OH-CG 3.4Å; Y133-D154 HydrophobicContact CD2-CB 4.4Å; Y133-D154 HydrophobicContact CE2-CB 4.07Å; Y133-F155 HydrophobicContact CE1-CD2 4.49Å; Y133-M158 HydrophobicContact CD1-CG 4.13Å; Y133-M158 HydrophobicContact CD1-SD 4.13Å
134D88.5Confident96.8Very high67 Ų6747 Ų4736%0.35821%0.212SC..G310 helixtrans-9716.6-172.7-58.3-40.2000112.2T110 K113 E131 L132 P136 R157T110-D134 HydrophobicContact CG2-CB 4.16Å; K113-D134 PolarHBondContact NZ-O 3.23Å; E131-D134 PolarHBondContact O-N 3.26Å; L132-D134 PolarHBondContact O-N 3.34Å; D134-P136 VanDerWaalsContact O-CD 3.28Å; D134-P136 WeakPolarHBondContact O-CD 3.44Å; D134-R157 IonicContact OD1-CZ 3.59Å; D134-R157 IonicContact OD1-NH1 2.77Å; D134-R157 IonicContact OD1-NH2 3.14Å; D134-R157 PolarHBondContact OD1-NH2 2.98Å
135L96.3Very high96.8Very high9 Ų946.2 Ų46.25%0.04721%0.213CC..  trans-10293.6176.5-60.1-173000110.5F109 L115 L132 Y133 N137 L138F109-L135 HydrophobicContact CD1-CD1 4.12Å; F109-L135 HydrophobicContact CE1-CD1 3.83Å; L115-L135 HydrophobicContact CD2-CD1 4.19Å; L132-L135 HydrophobicContact CD2-CD1 3.71Å; L132-L135 PolarHBondContact O-N 2.67Å; Y133-L135 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 2.82Å; L135-L138 HydrophobicContact CB-CB 4.04Å; L135-L138 HydrophobicContact CD1-CD2 4.33Å; L135-L138 PolarHBondContact O-N 3.4Å
136P95.7Very high96.8Very high70 Ų7046.5 Ų46.546%0.45522%0.215SC..THydrogen-bonded Turntrans-70.4-19.1-168.129.1-37.1000113.6D134 S160D134-P136 VanDerWaalsContact O-CD 3.28Å; D134-P136 WeakPolarHBondContact O-CD 3.44Å; P136-S160 VanDerWaalsContact O-CB 3.22Å; P136-S160 WeakPolarHBondContact O-CB 3.48Å; P136-S160 PolarHBondContact O-OG 2.95Å
137N97.8Very high96.8Very high51 Ų5145 Ų4527%0.27320%0.204SC..THydrogen-bonded Turntrans-104.61.6-175.4-71.2-64.2000113.9K113 L115 R116 L135 K139K113-N137 PolarHBondContact O-ND2 3.37Å; L115-N137 CarbonylContact O-C 3.24Å; R116-N137 WeakPolarHBondContact CA-O 3.49Å; R116-N137 HydrophobicContact CG-CB 4.46Å; L135-N137 PolarHBondContact O-N 2.82Å; N137-K139 PolarHBondContact O-N 3.15Å
138L98.4Very high96.8Very high3 Ų335.2 Ų35.22%0.01617%0.167CC..  trans-72.5115.2-175-173.266.1000110.2L115 F118 L132 L135 L141 M158 S160 L161L115-L138 HydrophobicContact CD2-CD1 4.45Å; L115-L138 HydrophobicContact CG-CD1 4.37Å; L115-L138 VanDerWaalsContact O-CA 3.31Å; L115-L138 WeakPolarHBondContact O-CA 3.19Å; L115-L138 PolarHBondContact O-N 2.96Å; L115-L138 VanDerWaalsContact O-N 3.15Å; F118-L138 HydrophobicContact CB-CD1 3.81Å; L132-L138 HydrophobicContact CD2-CD2 4.45Å; L135-L138 HydrophobicContact CB-CB 4.04Å; L135-L138 HydrophobicContact CD1-CD2 4.33Å; L135-L138 PolarHBondContact O-N 3.4Å; L138-L141 HydrophobicContact CD2-CD1 4.36Å; L138-M158 HydrophobicContact CD2-CE 3.71Å; L138-S160 CarbonylContact O-C 3.29Å; L138-L161 HydrophobicContact CG-CD1 4.42Å; L138-L161 WeakPolarHBondContact O-CA 3.1Å; L138-L161 PolarHBondContact O-N 3.21Å
139K98.4Very high96.9Very high90 Ų9040.6 Ų40.639%0.39119%0.191SC..  trans-107.3-30.9-176.3-67.1-178.2-179.9-175.30113R116 N137 K162 G163R116-K139 PolarHBondContact O-N 3.25Å; N137-K139 PolarHBondContact O-N 3.15Å; K139-K162 PolarHBondContact O-N 2.9Å; K139-G163 PolarHBondContact O-N 2.77Å
140S98.6Very high96.9Very high25 Ų2543.3 Ų43.318%0.17521%0.214CC..EExtended strand (participates in β ladder)trans-130.9120.2-174.4172.70000110R116 C117 F118 G163 W165R116-S140 PolarHBondContact O-N 3.04Å; C117-S140 WeakPolarHBondContact CA-O 3.42Å; F118-S140 PolarHBondContact N-O 3.44Å; S140-G163 WeakPolarHBondContact CA-O 3.4Å; S140-W165 VanDerWaalsContact OG-CZ3 3.25Å; S140-W165 WeakPolarHBondContact OG-CZ3 3.45Å
141L98.6Very high97Very high0 Ų036.4 Ų36.40%019%0.189CC..EExtended strand (participates in β ladder)trans-127.2113.5-179.5-178.363000111.2F118 L120 F128 L132 L138 M143 M158 L161 G163 L164 W165F118-L141 HydrophobicContact CB-CD1 4.21Å; F118-L141 HydrophobicContact CD1-CD1 3.94Å; F118-L141 HydrophobicContact CG-CD1 4.42Å; F118-L141 WeakPolarHBondContact O-CA 3.37Å; L120-L141 HydrophobicContact CD2-CD1 3.48Å; L120-L141 VanDerWaalsContact CD2-CD1 3.48Å; F128-L141 HydrophobicContact CE2-CD2 3.84Å; F128-L141 HydrophobicContact CZ-CD2 3.86Å; L132-L141 HydrophobicContact CD1-CD1 3.91Å; L132-L141 HydrophobicContact CD1-CD2 3.93Å; L138-L141 HydrophobicContact CD2-CD1 4.36Å; L141-M143 HydrophobicContact CD1-CG 4.04Å; L141-M143 HydrophobicContact CD1-SD 4.37Å; L141-M143 HydrophobicContact CD2-CG 4.29Å; L141-M143 HydrophobicContact CD2-SD 3.92Å; L141-M143 HydrophobicContact CG-CG 3.95Å; L141-M143 HydrophobicContact CG-SD 4.23Å; L141-M158 HydrophobicContact CD2-CE 4.13Å; L141-L161 HydrophobicContact CB-CD1 3.74Å; L141-G163 PolarHBondContact N-O 2.98Å; L141-L164 HydrophobicContact CB-CD1 4.31Å; L141-L164 HydrophobicContact CD2-CD1 4.11Å; L141-L164 HydrophobicContact CG-CD1 4.35Å; L141-W165 PolarHBondContact O-N 2.8Å
142Q98.6Very high96.9Very high24 Ų2437.1 Ų37.111%0.11220%0.195CC..EExtended strand (participates in β ladder)trans-101.2109.6175-68.1-82.3-4.500109.9F118 W119 L120 E121 W165F118-Q142 PolarHBondContact O-N 3.37Å; W119-Q142 HydrophobicContact CB-CB 4.19Å; W119-Q142 VanDerWaalsContact CD1-CG 3.4Å; W119-Q142 HydrophobicContact CD2-CB 4.47Å; W119-Q142 HydrophobicContact CD2-CG 4.09Å; W119-Q142 HydrophobicContact CG-CB 3.85Å; W119-Q142 HydrophobicContact CG-CG 3.84Å; L120-Q142 WeakPolarHBondContact CD2-O 3.37Å; L120-Q142 WeakPolarHBondContact CG-O 3.42Å; L120-Q142 PolarHBondContact N-O 2.93Å; E121-Q142 PolarHBondContact N-O 2.8Å; Q142-W165 HydrophobicContact CG-CD2 4.29Å; Q142-W165 HydrophobicContact CG-CE3 3.94Å; Q142-W165 HydrophobicContact CG-CZ3 4.49Å
143M97.9Very high96.6Very high0 Ų044.6 Ų44.60%023%0.231CC..  trans-125.428.6178.8-75.8-168.380.500111.7L120 F125 F128 P129 L132 L141 N146 L148 W165 L166 N169L120-M143 HydrophobicContact CD1-CE 3.59Å; L120-M143 HydrophobicContact CD1-CG 3.63Å; L120-M143 HydrophobicContact CD1-SD 4.01Å; L120-M143 HydrophobicContact CD2-CG 3.58Å; L120-M143 HydrophobicContact CG-CG 3.58Å; F125-M143 HydrophobicContact CB-CE 4.34Å; F125-M143 HydrophobicContact CD1-CE 4.49Å; F125-M143 HydrophobicContact CG-CE 4.28Å; F128-M143 HydrophobicContact CD2-CE 4.17Å; F128-M143 HydrophobicContact CD2-SD 3.72Å; F128-M143 HydrophobicContact CE2-CE 4.33Å; F128-M143 HydrophobicContact CE2-SD 3.34Å; F128-M143 WeakPolarHBondContact CE2-SD 3.21Å; F128-M143 HydrophobicContact CZ-SD 4.26Å; P129-M143 HydrophobicContact CG-CE 4.3Å; L132-M143 HydrophobicContact CD1-SD 4.42Å; L141-M143 HydrophobicContact CD1-CG 4.04Å; L141-M143 HydrophobicContact CD1-SD 4.37Å; L141-M143 HydrophobicContact CD2-CG 4.29Å; L141-M143 HydrophobicContact CD2-SD 3.92Å; L141-M143 HydrophobicContact CG-CG 3.95Å; L141-M143 HydrophobicContact CG-SD 4.23Å; M143-N146 PolarHBondContact O-ND2 2.9Å; M143-L148 HydrophobicContact CE-CD1 3.89Å; M143-L148 HydrophobicContact SD-CD1 4.47Å; M143-W165 CarbonylContact C-O 3.12Å; M143-W165 WeakPolarHBondContact CA-O 3.37Å; M143-W165 PolarHBondContact N-O 2.97Å; M143-L166 HydrophobicContact CB-CD2 3.86Å; M143-N169 PolarHBondContact O-ND2 2.95Å
144G98.1Very high96.5Very high0 Ų047.9 Ų47.90%025%0.25CC..  trans-62.4162178.500000113.4E121 S122 N146 W165 Y167E121-G144 CarbonylContact C-O 3.55Å; E121-G144 WeakPolarHBondContact CA-O 3.11Å; E121-G144 WeakPolarHBondContact CB-O 3.25Å; S122-G144 PolarHBondContact N-O 3.26Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.96Å; G144-N146 VanDerWaalsContact O-N 3.15Å; G144-N146 PolarHBondContact O-ND2 2.82Å; G144-W165 PolarHBondContact N-O 3.13Å; G144-Y167 CarbonylContact C-O 3.35Å; G144-Y167 WeakPolarHBondContact CA-O 3.38Å
145D98.4Very high96.7Very high70 Ų7044.7 Ų44.737%0.37423%0.233SC..SBendtrans48.744.8175.2-65.9-39.5000114.1S122 Y167 G168S122-D145 WeakPolarHBondContact CA-O 3.3Å; D145-Y167 PolarHBondContact N-O 2.94Å; D145-Y167 WeakPolarHBondContact OD2-CE2 3.25Å; D145-G168 WeakPolarHBondContact CA-O 3.43Å
146N98.6Very high96.5Very high7 Ų746.1 Ų46.14%0.03724%0.243CC..SBendtrans-111.6-162.5175.1-87.6-80.6000110.3L120 N123 Y124 F125 M143 G144 L148 N169L120-N146 PolarHBondContact O-ND2 2.75Å; N123-N146 WeakPolarHBondContact CA-OD1 3.38Å; N123-N146 WeakPolarHBondContact CB-OD1 3.36Å; N123-N146 PolarHBondContact O-OD1 3.24Å; Y124-N146 PolarHBondContact N-OD1 3.39Å; F125-N146 HydrophobicContact CB-CB 4.35Å; F125-N146 WeakPolarHBondContact CB-OD1 3.49Å; F125-N146 WeakPolarHBondContact CD2-OD1 3.07Å; F125-N146 PolarHBondContact N-OD1 3.38Å; M143-N146 PolarHBondContact O-ND2 2.9Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.96Å; G144-N146 VanDerWaalsContact O-N 3.15Å; G144-N146 PolarHBondContact O-ND2 2.82Å; N146-L148 HydrophobicContact CB-CG 4.42Å; N146-N169 WeakPolarHBondContact CA-OD1 3.41Å; N146-N169 WeakPolarHBondContact CB-OD1 3.17Å
147R98.1Very high96.4Very high86 Ų8648.8 Ų48.833%0.32524%0.244SC..  trans-119.424.6-177.7-55.9-178.8-179.3178.42.8112.1F125 Q126 N169F125-R147 CarbonylContact O-C 3.3Å; F125-R147 VanDerWaalsContact O-C 3.24Å; F125-R147 VanDerWaalsContact O-CA 3.27Å; F125-R147 WeakPolarHBondContact O-CA 3.4Å; F125-R147 WeakPolarHBondContact O-CB 3.38Å; F125-R147 PolarHBondContact O-N 3.15Å; Q126-R147 HydrophobicContact CG-CB 4.12Å; R147-N169 PolarHBondContact N-OD1 3.16Å
148L98.2Very high96.2Very high0 Ų046.9 Ų46.90%023%0.234CC..  trans-67.8134.5-178.5-58.6175.8000110.5F125 M143 N146 L166 N169 R170 F171F125-L148 HydrophobicContact CB-CD2 4.25Å; F125-L148 PolarHBondContact O-N 3.01Å; M143-L148 HydrophobicContact CE-CD1 3.89Å; M143-L148 HydrophobicContact SD-CD1 4.47Å; N146-L148 HydrophobicContact CB-CG 4.42Å; L148-L166 HydrophobicContact CD1-CD2 3.76Å; L148-N169 HydrophobicContact CB-CB 4.33Å; L148-N169 VanDerWaalsContact CB-OD1 3.27Å; L148-N169 WeakPolarHBondContact CB-OD1 3.17Å; L148-N169 WeakPolarHBondContact CG-OD1 3.43Å; L148-N169 PolarHBondContact N-OD1 2.78Å; L148-R170 CarbonylContact O-C 3.59Å; L148-R170 VanDerWaalsContact O-CA 3.3Å; L148-R170 WeakPolarHBondContact O-CA 3.27Å; L148-R170 WeakPolarHBondContact O-CB 3.41Å; L148-R170 PolarHBondContact O-N 2.88Å; L148-F171 HydrophobicContact CB-CE1 4.44Å; L148-F171 HydrophobicContact CB-CE2 4.09Å; L148-F171 HydrophobicContact CB-CZ 3.74Å; L148-F171 HydrophobicContact CD1-CZ 4.36Å
149K97.6Very high95.9Very high131 Ų13154.1 Ų54.157%0.5727%0.267SS*.  trans-109.4-25175.6-63.5-174.7178.8-172.80113.3R170 F171K149-R170 HydrophobicContact CG-CB 4.09Å; K149-F171 WeakPolarHBondContact O-CD1 3.34Å
150A96.8Very high95.8Very high64 Ų6452.2 Ų52.253%0.52927%0.265SS..  trans-153.5154-176.500000109.8
151L96.9Very high95.8Very high20 Ų2051 Ų5111%0.10526%0.257CS..  trans-98.9141.1166.5-63.7178.2000109.3F128 F155 L166 F171 P175 V177 L178F128-L151 HydrophobicContact CB-CD2 4.42Å; F128-L151 HydrophobicContact CD2-CD2 3.81Å; F128-L151 HydrophobicContact CG-CD2 4.32Å; L151-F155 HydrophobicContact CB-CG 4.44Å; L151-F155 HydrophobicContact CD1-CD1 3.96Å; L151-F155 HydrophobicContact CD1-CE1 3.9Å; L151-F155 HydrophobicContact CD1-CG 4.35Å; L151-F155 HydrophobicContact CD1-CZ 4.26Å; L151-F155 HydrophobicContact CD2-CD2 4.46Å; L151-F155 HydrophobicContact CD2-CE2 4.45Å; L151-L166 HydrophobicContact CD1-CD1 3.88Å; L151-L166 HydrophobicContact CD2-CD1 4.28Å; L151-L166 HydrophobicContact CG-CD1 4.46Å; L151-F171 HydrophobicContact CD2-CE1 4.39Å; L151-F171 HydrophobicContact CD2-CZ 4.05Å; L151-F171 HydrophobicContact CG-CE1 4.01Å; L151-F171 HydrophobicContact CG-CZ 4.07Å; L151-P175 HydrophobicContact CB-CB 4.11Å; L151-P175 HydrophobicContact CD1-CB 3.82Å; L151-P175 HydrophobicContact CD1-CG 4.15Å; L151-P175 HydrophobicContact CG-CB 4.02Å; L151-P175 HydrophobicContact CG-CG 4.22Å; L151-V177 HydrophobicContact CB-CG1 3.73Å; L151-V177 HydrophobicContact CD1-CG1 4.25Å; L151-L178 HydrophobicContact CD1-CD1 4.16Å; L151-L178 HydrophobicContact CD1-CD2 3.77Å; L151-L178 HydrophobicContact CD1-CG 3.96Å
152P93.9Very high95.8Very high37 Ų3755 Ų5524%0.2427%0.274CS..  trans-68.9157178.524.1-28000111.7F128 Y133 D154 F155F128-P152 HydrophobicContact CB-CG 3.99Å; F128-P152 HydrophobicContact CD1-CG 4.15Å; F128-P152 HydrophobicContact CG-CG 4.33Å; Y133-P152 HydrophobicContact CE1-CG 4.27Å; Y133-P152 WeakPolarHBondContact OH-CB 3.3Å; Y133-P152 WeakPolarHBondContact OH-CG 3.4Å; P152-D154 VanDerWaalsContact C-N 3.25Å; P152-D154 PolarHBondContact O-N 3.11Å; P152-F155 HydrophobicContact CG-CB 4.43Å; P152-F155 WeakPolarHBondContact O-CB 3.46Å; P152-F155 PolarHBondContact O-N 2.81Å; P152-F155 VanDerWaalsContact O-N 3.17Å
153Q90.1Very high95.8Very high158 Ų15854 Ų5474%0.73827%0.271SS*.G310 helixtrans-64-32.3-177.8-65.8-174.33.600112.6F155 C156 V177 R180Q153-F155 PolarHBondContact O-N 3.33Å; Q153-C156 PolarHBondContact O-SG 3.43Å; Q153-V177 WeakPolarHBondContact O-CG2 3.29Å; Q153-R180 PolarHBondContact O-NH2 3.1Å
154D91.3Very high95.8Very high93 Ų9354 Ų5450%0.49727%0.271SS..G310 helixtrans-75.9-2.5179.9-58.6-41.3000113.6Y133 P152 C156 R157Y133-D154 HydrophobicContact CD2-CB 4.4Å; Y133-D154 HydrophobicContact CE2-CB 4.07Å; P152-D154 VanDerWaalsContact C-N 3.25Å; P152-D154 PolarHBondContact O-N 3.11Å; D154-C156 PolarHBondContact O-N 2.97Å; D154-C156 VanDerWaalsContact O-N 3.07Å; D154-R157 VanDerWaalsContact O-CB 3.29Å; D154-R157 WeakPolarHBondContact O-CB 3.48Å; D154-R157 VanDerWaalsContact O-CG 3.3Å; D154-R157 WeakPolarHBondContact O-CG 3.49Å; D154-R157 PolarHBondContact O-N 3.01Å
155F93.1Very high95.8Very high0 Ų056.3 Ų56.30%028%0.28CS..G310 helixtrans-57-26.6179-173.1-101.8000112.7F128 Y133 L151 P152 Q153 R157 M158 L161 L164 V177 L178 M181F128-F155 HydrophobicContact CD1-CD2 4.1Å; F128-F155 HydrophobicContact CD1-CE2 4.47Å; F128-F155 HydrophobicContact CD2-CD2 4.23Å; F128-F155 HydrophobicContact CD2-CE2 4Å; F128-F155 AromaticContact CE1-CD2 3.78Å; F128-F155 HydrophobicContact CE1-CD2 3.78Å; F128-F155 AromaticContact CE1-CE2 3.9Å; F128-F155 HydrophobicContact CE1-CE2 3.9Å; F128-F155 AromaticContact CE2-CD2 3.92Å; F128-F155 HydrophobicContact CE2-CD2 3.92Å; F128-F155 AromaticContact CE2-CE2 3.35Å; F128-F155 HydrophobicContact CE2-CE2 3.35Å; F128-F155 HydrophobicContact CE2-CZ 4.37Å; F128-F155 HydrophobicContact CG-CD2 4.32Å; F128-F155 AromaticContact CZ-CD2 3.71Å; F128-F155 HydrophobicContact CZ-CD2 3.71Å; F128-F155 AromaticContact CZ-CE2 3.31Å; F128-F155 HydrophobicContact CZ-CE2 3.31Å; Y133-F155 HydrophobicContact CE1-CD2 4.49Å; L151-F155 HydrophobicContact CB-CG 4.44Å; L151-F155 HydrophobicContact CD1-CD1 3.96Å; L151-F155 HydrophobicContact CD1-CE1 3.9Å; L151-F155 HydrophobicContact CD1-CG 4.35Å; L151-F155 HydrophobicContact CD1-CZ 4.26Å; L151-F155 HydrophobicContact CD2-CD2 4.46Å; L151-F155 HydrophobicContact CD2-CE2 4.45Å; P152-F155 HydrophobicContact CG-CB 4.43Å; P152-F155 WeakPolarHBondContact O-CB 3.46Å; P152-F155 PolarHBondContact O-N 2.81Å; P152-F155 VanDerWaalsContact O-N 3.17Å; Q153-F155 PolarHBondContact O-N 3.33Å; F155-R157 PolarHBondContact O-N 3.17Å; F155-R157 VanDerWaalsContact O-N 3.12Å; F155-M158 HydrophobicContact CD2-SD 3.84Å; F155-M158 HydrophobicContact CE2-SD 3.57Å; F155-M158 VanDerWaalsContact CE2-SD 3.57Å; F155-M158 HydrophobicContact CZ-SD 4.27Å; F155-M158 PolarHBondContact O-N 3.25Å; F155-L161 HydrophobicContact CZ-CD2 4.04Å; F155-L164 HydrophobicContact CE1-CD2 3.68Å; F155-L164 HydrophobicContact CZ-CD1 4.1Å; F155-L164 HydrophobicContact CZ-CD2 3.56Å; F155-L164 HydrophobicContact CZ-CG 4.48Å; F155-V177 HydrophobicContact CB-CG1 4.14Å; F155-V177 HydrophobicContact CB-CG2 3.93Å; F155-V177 HydrophobicContact CD1-CG1 4.2Å; F155-L178 HydrophobicContact CD1-CD2 4.03Å; F155-L178 HydrophobicContact CE1-CD2 3.53Å; F155-M181 HydrophobicContact CD1-CE 4.25Å; F155-M181 HydrophobicContact CD1-SD 3.32Å; F155-M181 WeakPolarHBondContact CD1-SD 3.2Å; F155-M181 HydrophobicContact CE1-CE 3.82Å; F155-M181 HydrophobicContact CE1-SD 3.19Å; F155-M181 WeakPolarHBondContact CE1-SD 3.49Å; F155-M181 HydrophobicContact CZ-CE 4.47Å; F155-M181 HydrophobicContact CZ-SD 4.31Å
156C90.8Very high95.8Very high40 Ų4053 Ų5327%0.2726%0.262SS..G310 helixtrans-66.3-8.8175.161.20000114.7Q153 D154 M158 V177 R180Q153-C156 PolarHBondContact O-SG 3.43Å; D154-C156 PolarHBondContact O-N 2.97Å; D154-C156 VanDerWaalsContact O-N 3.07Å; C156-M158 PolarHBondContact O-N 2.94Å; C156-V177 HydrophobicContact CB-CG2 4.03Å; C156-R180 HydrophobicContact CB-CB 4.19Å; C156-R180 PolarHBondContact SG-NH2 2.86Å
157R93.6Very high95.8Very high125 Ų12555 Ų5547%0.47227%0.269SS..G310 helixtrans-68.1-16.4172.3-68.5176.261.5-158.7-12.6113.3D134 D154 F155 E159D134-R157 IonicContact OD1-CZ 3.59Å; D134-R157 IonicContact OD1-NH1 2.77Å; D134-R157 IonicContact OD1-NH2 3.14Å; D134-R157 PolarHBondContact OD1-NH2 2.98Å; D154-R157 VanDerWaalsContact O-CB 3.29Å; D154-R157 WeakPolarHBondContact O-CB 3.48Å; D154-R157 VanDerWaalsContact O-CG 3.3Å; D154-R157 WeakPolarHBondContact O-CG 3.49Å; D154-R157 PolarHBondContact O-N 3.01Å; F155-R157 PolarHBondContact O-N 3.17Å; F155-R157 VanDerWaalsContact O-N 3.12Å; R157-E159 PolarHBondContact O-N 3.01Å
158M95.4Very high95.8Very high12 Ų1251.7 Ų51.76%0.05926%0.262CS..  trans-80.761.6-179.7-59.3-178.769.900111.5F128 L132 Y133 L138 L141 F155 C156 S160 L161 M181F128-M158 HydrophobicContact CE1-SD 4.03Å; F128-M158 HydrophobicContact CZ-CE 4.41Å; F128-M158 HydrophobicContact CZ-SD 3.8Å; L132-M158 HydrophobicContact CB-CE 3.98Å; L132-M158 HydrophobicContact CB-SD 4.39Å; Y133-M158 HydrophobicContact CD1-CG 4.13Å; Y133-M158 HydrophobicContact CD1-SD 4.13Å; L138-M158 HydrophobicContact CD2-CE 3.71Å; L141-M158 HydrophobicContact CD2-CE 4.13Å; F155-M158 HydrophobicContact CD2-SD 3.84Å; F155-M158 HydrophobicContact CE2-SD 3.57Å; F155-M158 VanDerWaalsContact CE2-SD 3.57Å; F155-M158 HydrophobicContact CZ-SD 4.27Å; F155-M158 PolarHBondContact O-N 3.25Å; C156-M158 PolarHBondContact O-N 2.94Å; M158-S160 VanDerWaalsContact C-N 3.28Å; M158-S160 PolarHBondContact O-N 2.92Å; M158-L161 HydrophobicContact CB-CB 4.26Å; M158-L161 HydrophobicContact CE-CD1 4.48Å; M158-L161 HydrophobicContact CE-CD2 4.43Å; M158-L161 VanDerWaalsContact O-CB 3.3Å; M158-L161 WeakPolarHBondContact O-CB 3.31Å; M158-L161 PolarHBondContact O-N 3.23Å; M158-L161 VanDerWaalsContact O-N 3.16Å; M158-M181 HydrophobicContact CB-CE 4.23Å
159E91.9Very high95.8Very high154 Ų15452.1 Ų52.172%0.7226%0.264SS*.THydrogen-bonded Turntrans-63.3-30.5-170.3-65.1178.4-179.600113.8R157 L161 S183R157-E159 PolarHBondContact O-N 3.01Å; E159-L161 VanDerWaalsContact C-N 3.26Å; E159-L161 PolarHBondContact O-N 3.42Å; E159-S183 PolarHBondContact O-OG 2.96Å
160S95.8Very high95.8Very high50 Ų5051 Ų5135%0.3526%0.256SS..THydrogen-bonded Turntrans-76.8-9.1179.4-65.60000114.3P136 L138 M158 K162P136-S160 VanDerWaalsContact O-CB 3.22Å; P136-S160 WeakPolarHBondContact O-CB 3.48Å; P136-S160 PolarHBondContact O-OG 2.95Å; L138-S160 CarbonylContact O-C 3.29Å; M158-S160 VanDerWaalsContact C-N 3.28Å; M158-S160 PolarHBondContact O-N 2.92Å; S160-K162 PolarHBondContact O-N 2.9Å
161L97.8Very high95.9Very high0 Ų048 Ų480%023%0.231CC..  trans-71.9124.7-174.8-165.771.8000110.6L138 L141 F155 M158 E159 L164 M181 S183 L184L138-L161 HydrophobicContact CG-CD1 4.42Å; L138-L161 WeakPolarHBondContact O-CA 3.1Å; L138-L161 PolarHBondContact O-N 3.21Å; L141-L161 HydrophobicContact CB-CD1 3.74Å; F155-L161 HydrophobicContact CZ-CD2 4.04Å; M158-L161 HydrophobicContact CB-CB 4.26Å; M158-L161 HydrophobicContact CE-CD1 4.48Å; M158-L161 HydrophobicContact CE-CD2 4.43Å; M158-L161 VanDerWaalsContact O-CB 3.3Å; M158-L161 WeakPolarHBondContact O-CB 3.31Å; M158-L161 PolarHBondContact O-N 3.23Å; M158-L161 VanDerWaalsContact O-N 3.16Å; E159-L161 VanDerWaalsContact C-N 3.26Å; E159-L161 PolarHBondContact O-N 3.42Å; L161-L164 HydrophobicContact CD2-CB 4.06Å; L161-L164 HydrophobicContact CD2-CD1 4.2Å; L161-L164 HydrophobicContact CD2-CD2 4.38Å; L161-L164 HydrophobicContact CD2-CG 4.44Å; L161-M181 HydrophobicContact CB-CE 4.02Å; L161-M181 HydrophobicContact CD2-CE 3.87Å; L161-S183 PolarHBondContact O-OG 3.12Å; L161-L184 HydrophobicContact CD2-CD2 4.25Å; L161-L184 HydrophobicContact CG-CD2 4.22Å
162K98.2Very high95.9Very high84 Ų8452.9 Ų52.937%0.36525%0.253SS..  trans-111.2-38.9179.7-67.9179.6164.9-127.60112.2K139 S160 E185 I186K139-K162 PolarHBondContact O-N 2.9Å; S160-K162 PolarHBondContact O-N 2.9Å; K162-E185 HydrophobicContact CB-CB 4.46Å; K162-E185 HydrophobicContact CB-CG 4.38Å; K162-E185 WeakPolarHBondContact CD-OE1 3.1Å; K162-E185 WeakPolarHBondContact CE-OE1 3.24Å; K162-E185 IonicContact NZ-OE1 2.82Å; K162-E185 PolarHBondContact NZ-OE1 3.34Å; K162-E185 WeakPolarHBondContact O-CA 3.33Å; K162-E185 PolarHBondContact O-N 3.3Å; K162-I186 PolarHBondContact O-N 3.3Å
163G98.4Very high96Very high4 Ų455.8 Ų55.84%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-118.4126.2178.800000111.5K139 S140 L141 W165K139-G163 PolarHBondContact O-N 2.77Å; S140-G163 WeakPolarHBondContact CA-O 3.4Å; L141-G163 PolarHBondContact N-O 2.98Å; G163-W165 VanDerWaalsContact C-CZ3 3.49Å
164L98.6Very high96.4Very high0 Ų048.8 Ų48.80%024%0.238CC..EExtended strand (participates in β ladder)trans-132.2118.1177.8178.260.5000110.5L141 F155 L161 L166 L178 L184 I186 L187 D188L141-L164 HydrophobicContact CB-CD1 4.31Å; L141-L164 HydrophobicContact CD2-CD1 4.11Å; L141-L164 HydrophobicContact CG-CD1 4.35Å; F155-L164 HydrophobicContact CE1-CD2 3.68Å; F155-L164 HydrophobicContact CZ-CD1 4.1Å; F155-L164 HydrophobicContact CZ-CD2 3.56Å; F155-L164 HydrophobicContact CZ-CG 4.48Å; L161-L164 HydrophobicContact CD2-CB 4.06Å; L161-L164 HydrophobicContact CD2-CD1 4.2Å; L161-L164 HydrophobicContact CD2-CD2 4.38Å; L161-L164 HydrophobicContact CD2-CG 4.44Å; L164-L166 HydrophobicContact CD1-CD1 4.1Å; L164-L166 HydrophobicContact CD1-CD2 4.3Å; L164-L166 HydrophobicContact CD1-CG 3.89Å; L164-L166 HydrophobicContact CD2-CD1 3.74Å; L164-L166 HydrophobicContact CD2-CG 4.38Å; L164-L166 HydrophobicContact CG-CD1 3.87Å; L164-L166 HydrophobicContact CG-CG 3.95Å; L164-L178 HydrophobicContact CD2-CD2 3.54Å; L164-L184 HydrophobicContact CB-CD2 4.07Å; L164-I186 PolarHBondContact N-O 3.01Å; L164-L187 HydrophobicContact CB-CD1 4.33Å; L164-L187 HydrophobicContact CD2-CD1 4.06Å; L164-L187 HydrophobicContact CG-CD1 4.26Å; L164-L187 WeakPolarHBondContact O-CA 3.26Å; L164-D188 PolarHBondContact O-N 3.43Å
165W98.6Very high96.6Very high48 Ų4844.9 Ų44.918%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-115.2118.9176.7-64.8-103.2000110.4S140 L141 Q142 M143 G144 G163 Y167 I186 D188S140-W165 VanDerWaalsContact OG-CZ3 3.25Å; S140-W165 WeakPolarHBondContact OG-CZ3 3.45Å; L141-W165 PolarHBondContact O-N 2.8Å; Q142-W165 HydrophobicContact CG-CD2 4.29Å; Q142-W165 HydrophobicContact CG-CE3 3.94Å; Q142-W165 HydrophobicContact CG-CZ3 4.49Å; M143-W165 CarbonylContact C-O 3.12Å; M143-W165 WeakPolarHBondContact CA-O 3.37Å; M143-W165 PolarHBondContact N-O 2.97Å; G144-W165 PolarHBondContact N-O 3.13Å; G163-W165 VanDerWaalsContact C-CZ3 3.49Å; W165-Y167 HydrophobicContact CB-CD1 4.05Å; W165-Y167 HydrophobicContact CB-CE1 4.16Å; W165-I186 HydrophobicContact CH2-CD1 4.35Å; W165-I186 HydrophobicContact CZ2-CB 4.41Å; W165-I186 HydrophobicContact CZ2-CD1 4.05Å; W165-I186 HydrophobicContact CZ2-CG2 3.81Å; W165-D188 HydrophobicContact CB-CB 4.27Å; W165-D188 VanDerWaalsContact CD1-CB 3.47Å; W165-D188 HydrophobicContact CG-CB 4.03Å
166L98.4Very high96.7Very high0 Ų052.9 Ų52.90%025%0.252CS..  trans-129.121.9-175.2-73.5173000110.9M143 L148 L151 L164 N169 F171 D188 L189 N192M143-L166 HydrophobicContact CB-CD2 3.86Å; L148-L166 HydrophobicContact CD1-CD2 3.76Å; L151-L166 HydrophobicContact CD1-CD1 3.88Å; L151-L166 HydrophobicContact CD2-CD1 4.28Å; L151-L166 HydrophobicContact CG-CD1 4.46Å; L164-L166 HydrophobicContact CD1-CD1 4.1Å; L164-L166 HydrophobicContact CD1-CD2 4.3Å; L164-L166 HydrophobicContact CD1-CG 3.89Å; L164-L166 HydrophobicContact CD2-CD1 3.74Å; L164-L166 HydrophobicContact CD2-CG 4.38Å; L164-L166 HydrophobicContact CG-CD1 3.87Å; L164-L166 HydrophobicContact CG-CG 3.95Å; L166-N169 WeakPolarHBondContact O-CB 3.44Å; L166-N169 PolarHBondContact O-ND2 3.16Å; L166-F171 HydrophobicContact CB-CE2 4.01Å; L166-F171 HydrophobicContact CD1-CE2 4.16Å; L166-F171 HydrophobicContact CD1-CZ 4.19Å; L166-F171 HydrophobicContact CD2-CE2 4.23Å; L166-F171 HydrophobicContact CD2-CZ 4.36Å; L166-F171 HydrophobicContact CG-CE2 4.38Å; L166-D188 CarbonylContact C-O 3.5Å; L166-D188 WeakPolarHBondContact CA-O 3.4Å; L166-D188 PolarHBondContact N-O 2.97Å; L166-L189 HydrophobicContact CB-CD2 3.8Å; L166-L189 HydrophobicContact CD1-CD2 4.11Å; L166-N192 PolarHBondContact O-ND2 2.87Å
167Y98.4Very high96.9Very high50 Ų5051.6 Ų51.620%0.19624%0.243CC..THydrogen-bonded Turntrans-59.2155.8179.464.9-94.5000111.7G144 D145 W165 N169 D188 D190G144-Y167 CarbonylContact C-O 3.35Å; G144-Y167 WeakPolarHBondContact CA-O 3.38Å; D145-Y167 PolarHBondContact N-O 2.94Å; D145-Y167 WeakPolarHBondContact OD2-CE2 3.25Å; W165-Y167 HydrophobicContact CB-CD1 4.05Å; W165-Y167 HydrophobicContact CB-CE1 4.16Å; Y167-N169 PolarHBondContact O-N 3.49Å; Y167-N169 VanDerWaalsContact O-N 3.16Å; Y167-N169 PolarHBondContact O-ND2 2.79Å; Y167-D188 PolarHBondContact N-O 2.93Å; Y167-D190 CarbonylContact C-O 3.51Å; Y167-D190 WeakPolarHBondContact CA-O 3.44Å; Y167-D190 WeakPolarHBondContact CB-O 3.41Å
168G98.1Very high97.1Very high16 Ų1645.6 Ų45.617%0.16522%0.221CC..THydrogen-bonded Turntrans64.823.7173.400000114.8D145 D190 K191D145-G168 WeakPolarHBondContact CA-O 3.43Å; G168-D190 PolarHBondContact N-O 3.25Å; G168-K191 WeakPolarHBondContact CA-O 3.34Å; G168-K191 PolarHBondContact N-O 3.07Å
169N98.6Very high97Very high9 Ų946.7 Ų46.75%0.04823%0.227CC..SBendtrans-97.4-160.8176.1-84.2-79.8000110.9M143 N146 R147 L148 L166 Y167 F171 N192M143-N169 PolarHBondContact O-ND2 2.95Å; N146-N169 WeakPolarHBondContact CA-OD1 3.41Å; N146-N169 WeakPolarHBondContact CB-OD1 3.17Å; R147-N169 PolarHBondContact N-OD1 3.16Å; L148-N169 HydrophobicContact CB-CB 4.33Å; L148-N169 VanDerWaalsContact CB-OD1 3.27Å; L148-N169 WeakPolarHBondContact CB-OD1 3.17Å; L148-N169 WeakPolarHBondContact CG-OD1 3.43Å; L148-N169 PolarHBondContact N-OD1 2.78Å; L166-N169 WeakPolarHBondContact O-CB 3.44Å; L166-N169 PolarHBondContact O-ND2 3.16Å; Y167-N169 PolarHBondContact O-N 3.49Å; Y167-N169 VanDerWaalsContact O-N 3.16Å; Y167-N169 PolarHBondContact O-ND2 2.79Å; N169-F171 HydrophobicContact CB-CD2 3.71Å; N169-F171 HydrophobicContact CB-CE2 3.63Å; N169-N192 VanDerWaalsContact CA-OD1 3.26Å; N169-N192 WeakPolarHBondContact CA-OD1 3.44Å; N169-N192 VanDerWaalsContact CB-OD1 3.24Å; N169-N192 WeakPolarHBondContact CB-OD1 3.27Å; N169-N192 PolarHBondContact N-OD1 2.95Å; N169-N192 PolarHBondContact O-OD1 3.3Å
170R97.9Very high97.1Very high108 Ų10845.9 Ų45.941%0.40822%0.217SC..  trans-125.233.4-174.8-56.3177.4-176.8-173.2-4.4111.5L148 K149 E172 N192L148-R170 CarbonylContact O-C 3.59Å; L148-R170 VanDerWaalsContact O-CA 3.3Å; L148-R170 WeakPolarHBondContact O-CA 3.27Å; L148-R170 WeakPolarHBondContact O-CB 3.41Å; L148-R170 PolarHBondContact O-N 2.88Å; K149-R170 HydrophobicContact CG-CB 4.09Å; R170-E172 PolarHBondContact O-N 3.39Å; R170-N192 PolarHBondContact N-OD1 3.22Å
171F98.3Very high97.1Very high0 Ų043.8 Ų43.80%020%0.202CC..  trans-69.5115.6176.6-66.6-74000109.9L148 K149 L151 L166 N169 P175 L189 N192 K193 I194L148-F171 HydrophobicContact CB-CE1 4.44Å; L148-F171 HydrophobicContact CB-CE2 4.09Å; L148-F171 HydrophobicContact CB-CZ 3.74Å; L148-F171 HydrophobicContact CD1-CZ 4.36Å; K149-F171 WeakPolarHBondContact O-CD1 3.34Å; L151-F171 HydrophobicContact CD2-CE1 4.39Å; L151-F171 HydrophobicContact CD2-CZ 4.05Å; L151-F171 HydrophobicContact CG-CE1 4.01Å; L151-F171 HydrophobicContact CG-CZ 4.07Å; L166-F171 HydrophobicContact CB-CE2 4.01Å; L166-F171 HydrophobicContact CD1-CE2 4.16Å; L166-F171 HydrophobicContact CD1-CZ 4.19Å; L166-F171 HydrophobicContact CD2-CE2 4.23Å; L166-F171 HydrophobicContact CD2-CZ 4.36Å; L166-F171 HydrophobicContact CG-CE2 4.38Å; N169-F171 HydrophobicContact CB-CD2 3.71Å; N169-F171 HydrophobicContact CB-CE2 3.63Å; F171-P175 HydrophobicContact CD1-CG 3.63Å; F171-P175 HydrophobicContact CE1-CG 3.72Å; F171-P175 HydrophobicContact CG-CG 4.29Å; F171-P175 HydrophobicContact CZ-CG 4.47Å; F171-L189 HydrophobicContact CD2-CD2 4.33Å; F171-N192 HydrophobicContact CB-CB 4.28Å; F171-N192 WeakPolarHBondContact CD2-OD1 3.41Å; F171-N192 PolarHBondContact N-OD1 2.87Å; F171-N192 VanDerWaalsContact N-OD1 3.1Å; F171-K193 CarbonylContact O-C 3.32Å; F171-K193 VanDerWaalsContact O-CA 3.23Å; F171-K193 WeakPolarHBondContact O-CA 3.43Å; F171-K193 WeakPolarHBondContact O-CB 3.31Å; F171-K193 PolarHBondContact O-N 3.49Å; F171-I194 HydrophobicContact CB-CD1 4.23Å; F171-I194 HydrophobicContact CB-CG1 4.03Å; F171-I194 WeakPolarHBondContact O-CG1 3.06Å; F171-I194 PolarHBondContact O-N 3.03Å
172E96.6Very high96.8Very high122 Ų12248.4 Ų48.457%0.5722%0.223SC*.SBendtrans-86.5-21.7174.8-67.5175.1-167.200112.2R170 K193R170-E172 PolarHBondContact O-N 3.39Å; E172-K193 WeakPolarHBondContact CA-O 3.48Å; E172-K193 HydrophobicContact CG-CB 4.33Å
173T96.9Very high96.7Very high99 Ų9946.4 Ų46.461%0.60722%0.22SC*.SBendtrans-136.4153.4177.258.10000109.7P175T173-P175 WeakPolarHBondContact O-CD 3.13Å
174F96.9Very high96.6Very high10 Ų1046.2 Ų46.24%0.04422%0.218CC..  trans-61126.6174.9-176.5-87.5000111K176 L178 L179 L187 L189 I194 L197 P198 L200 F209F174-K176 PolarHBondContact O-N 3.47Å; F174-L178 HydrophobicContact CE1-CB 4.07Å; F174-L178 HydrophobicContact CE1-CD1 4.49Å; F174-L178 HydrophobicContact CE2-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CB 3.99Å; F174-L178 HydrophobicContact CZ-CD1 4.07Å; F174-L179 HydrophobicContact CE1-CD2 3.83Å; F174-L179 HydrophobicContact CE1-CG 3.97Å; F174-L179 HydrophobicContact CZ-CD2 4.3Å; F174-L187 HydrophobicContact CE2-CD2 4.24Å; F174-L187 HydrophobicContact CZ-CD2 4.31Å; F174-L189 HydrophobicContact CD2-CD1 3.72Å; F174-L189 HydrophobicContact CE2-CD1 3.59Å; F174-I194 HydrophobicContact CB-CG2 4.38Å; F174-L197 HydrophobicContact CB-CD2 4.41Å; F174-L197 HydrophobicContact CD2-CD2 3.7Å; F174-L197 HydrophobicContact CG-CD2 4.45Å; F174-P198 HydrophobicContact CB-CG 4.28Å; F174-P198 HydrophobicContact CD1-CG 3.44Å; F174-P198 VanDerWaalsContact CD1-CG 3.44Å; F174-P198 HydrophobicContact CD2-CG 4.4Å; F174-P198 HydrophobicContact CE1-CG 3.8Å; F174-P198 VanDerWaalsContact CG-CD 3.42Å; F174-P198 HydrophobicContact CG-CG 3.78Å; F174-P198 HydrophobicContact CZ-CG 4.41Å; F174-L200 HydrophobicContact CE1-CD2 4.28Å; F174-L200 HydrophobicContact CE2-CD2 4Å; F174-L200 HydrophobicContact CZ-CD2 3.62Å; F174-F209 HydrophobicContact CE2-CE2 4.43Å; F174-F209 HydrophobicContact CE2-CZ 4.38Å
175P96.4Very high96.6Very high12 Ų1249 Ų498%0.07823%0.231CC..  trans-66.997.9176.9-20.533.2000112.1L151 F171 T173 V177 L178L151-P175 HydrophobicContact CB-CB 4.11Å; L151-P175 HydrophobicContact CD1-CB 3.82Å; L151-P175 HydrophobicContact CD1-CG 4.15Å; L151-P175 HydrophobicContact CG-CB 4.02Å; L151-P175 HydrophobicContact CG-CG 4.22Å; F171-P175 HydrophobicContact CD1-CG 3.63Å; F171-P175 HydrophobicContact CE1-CG 3.72Å; F171-P175 HydrophobicContact CG-CG 4.29Å; F171-P175 HydrophobicContact CZ-CG 4.47Å; T173-P175 WeakPolarHBondContact O-CD 3.13Å; P175-V177 HydrophobicContact CB-CG1 4.32Å; P175-V177 PolarHBondContact O-N 3.24Å; P175-L178 HydrophobicContact CB-CD1 3.96Å; P175-L178 HydrophobicContact CB-CG 4.16Å; P175-L178 HydrophobicContact CG-CD1 4.14Å; P175-L178 WeakPolarHBondContact O-CB 3.45Å; P175-L178 WeakPolarHBondContact O-CG 3Å; P175-L178 PolarHBondContact O-N 3.42Å
176K95.4Very high96.6Very high167 Ų16749 Ų4973%0.72623%0.234SC*.G310 helixtrans-57.7-21.8-175.7-64.8-175.1-178.41780114.6F174 L178 L179F174-K176 PolarHBondContact O-N 3.47Å; K176-L178 PolarHBondContact O-N 2.85Å; K176-L179 WeakPolarHBondContact O-CB 3.23Å; K176-L179 PolarHBondContact O-N 3.49Å; K176-L179 VanDerWaalsContact O-N 3.11Å
177V95.5Very high96.6Very high13 Ų1349 Ų498%0.07923%0.234CC..G310 helixtrans-58.1-30.8173.964.50000112.6L151 Q153 F155 C156 P175 L179 R180L151-V177 HydrophobicContact CB-CG1 3.73Å; L151-V177 HydrophobicContact CD1-CG1 4.25Å; Q153-V177 WeakPolarHBondContact O-CG2 3.29Å; F155-V177 HydrophobicContact CB-CG1 4.14Å; F155-V177 HydrophobicContact CB-CG2 3.93Å; F155-V177 HydrophobicContact CD1-CG1 4.2Å; C156-V177 HydrophobicContact CB-CG2 4.03Å; P175-V177 HydrophobicContact CB-CG1 4.32Å; P175-V177 PolarHBondContact O-N 3.24Å; V177-L179 PolarHBondContact O-N 2.92Å; V177-R180 PolarHBondContact O-N 2.86Å; V177-R180 VanDerWaalsContact O-N 3.11Å
178L96.1Very high96.6Very high0 Ų047.7 Ų47.70%023%0.231CC..G310 helixtrans-63.4-26177.7-63.2172.8000112.5L151 F155 L164 F174 P175 K176 R180 M181 L184 L187 L189 L203L151-L178 HydrophobicContact CD1-CD1 4.16Å; L151-L178 HydrophobicContact CD1-CD2 3.77Å; L151-L178 HydrophobicContact CD1-CG 3.96Å; F155-L178 HydrophobicContact CD1-CD2 4.03Å; F155-L178 HydrophobicContact CE1-CD2 3.53Å; L164-L178 HydrophobicContact CD2-CD2 3.54Å; F174-L178 HydrophobicContact CE1-CB 4.07Å; F174-L178 HydrophobicContact CE1-CD1 4.49Å; F174-L178 HydrophobicContact CE2-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CB 3.99Å; F174-L178 HydrophobicContact CZ-CD1 4.07Å; P175-L178 HydrophobicContact CB-CD1 3.96Å; P175-L178 HydrophobicContact CB-CG 4.16Å; P175-L178 HydrophobicContact CG-CD1 4.14Å; P175-L178 WeakPolarHBondContact O-CB 3.45Å; P175-L178 WeakPolarHBondContact O-CG 3Å; P175-L178 PolarHBondContact O-N 3.42Å; K176-L178 PolarHBondContact O-N 2.85Å; L178-R180 PolarHBondContact O-N 3.01Å; L178-R180 VanDerWaalsContact O-N 3.12Å; L178-M181 HydrophobicContact CD2-SD 3.93Å; L178-M181 PolarHBondContact O-N 3.23Å; L178-L184 HydrophobicContact CD2-CD1 4.2Å; L178-L187 HydrophobicContact CD1-CD1 4.02Å; L178-L187 HydrophobicContact CD1-CD2 4.1Å; L178-L189 HydrophobicContact CD1-CD1 4.46Å; L178-L203 WeakPolarHBondContact O-CD2 3.26Å
179L94.8Very high96.5Very high35 Ų3547 Ų4718%0.18322%0.223CC..G310 helixtrans-66.5-12.8177-58.6177.5000113.3F174 K176 V177 P198 L200F174-L179 HydrophobicContact CE1-CD2 3.83Å; F174-L179 HydrophobicContact CE1-CG 3.97Å; F174-L179 HydrophobicContact CZ-CD2 4.3Å; K176-L179 WeakPolarHBondContact O-CB 3.23Å; K176-L179 PolarHBondContact O-N 3.49Å; K176-L179 VanDerWaalsContact O-N 3.11Å; V177-L179 PolarHBondContact O-N 2.92Å; L179-P198 HydrophobicContact CD1-CB 4.3Å; L179-P198 HydrophobicContact CD1-CG 4.21Å; L179-P198 HydrophobicContact CD2-CG 4.05Å; L179-L200 HydrophobicContact CD2-CD2 3.68Å
180R94.4Very high96.5Very high136 Ų13647.7 Ų47.751%0.51323%0.227SC..G310 helixtrans-94.5-6.7175.2-59.6-167.6-64.8-137.34.9113.2Q153 C156 V177 L178 E182Q153-R180 PolarHBondContact O-NH2 3.1Å; C156-R180 HydrophobicContact CB-CB 4.19Å; C156-R180 PolarHBondContact SG-NH2 2.86Å; V177-R180 PolarHBondContact O-N 2.86Å; V177-R180 VanDerWaalsContact O-N 3.11Å; L178-R180 PolarHBondContact O-N 3.01Å; L178-R180 VanDerWaalsContact O-N 3.12Å; R180-E182 PolarHBondContact O-N 3.25Å
181M94.4Very high96.4Very high7 Ų747.6 Ų47.63%0.03423%0.229CC..  trans-95.373-175.5-62-174.571.900110.4F155 M158 L161 L178 S183 L184 L203F155-M181 HydrophobicContact CD1-CE 4.25Å; F155-M181 HydrophobicContact CD1-SD 3.32Å; F155-M181 WeakPolarHBondContact CD1-SD 3.2Å; F155-M181 HydrophobicContact CE1-CE 3.82Å; F155-M181 HydrophobicContact CE1-SD 3.19Å; F155-M181 WeakPolarHBondContact CE1-SD 3.49Å; F155-M181 HydrophobicContact CZ-CE 4.47Å; F155-M181 HydrophobicContact CZ-SD 4.31Å; M158-M181 HydrophobicContact CB-CE 4.23Å; L161-M181 HydrophobicContact CB-CE 4.02Å; L161-M181 HydrophobicContact CD2-CE 3.87Å; L178-M181 HydrophobicContact CD2-SD 3.93Å; L178-M181 PolarHBondContact O-N 3.23Å; M181-S183 PolarHBondContact O-N 3.38Å; M181-S183 VanDerWaalsContact O-N 3.13Å; M181-L184 HydrophobicContact CB-CD1 3.6Å; M181-L184 HydrophobicContact CB-CG 3.83Å; M181-L184 HydrophobicContact CE-CD1 4.43Å; M181-L184 HydrophobicContact CE-CD2 4.43Å; M181-L184 HydrophobicContact CE-CG 4.4Å; M181-L184 HydrophobicContact CG-CD1 4.46Å; M181-L184 PolarHBondContact O-N 3.02Å; M181-L184 HydrophobicContact SD-CD1 4.13Å; M181-L203 WeakPolarHBondContact O-CD2 3.33Å
182E92.6Very high96.4Very high97 Ų9748 Ų4845%0.45323%0.232SC..THydrogen-bonded Turntrans-69.9-7-172.4-59.8-174179.600114.1R180 R202 T205R180-E182 PolarHBondContact O-N 3.25Å; E182-R202 IonicContact OE1-NH2 3.57Å; E182-T205 WeakPolarHBondContact O-CG2 3.32Å; E182-T205 PolarHBondContact O-OG1 3.04Å
183S94.9Very high96.5Very high42 Ų4247.9 Ų47.929%0.29423%0.229SC..THydrogen-bonded Turntrans-91.3-5175.253.20000114.3E159 L161 M181 E185E159-S183 PolarHBondContact O-OG 2.96Å; L161-S183 PolarHBondContact O-OG 3.12Å; M181-S183 PolarHBondContact O-N 3.38Å; M181-S183 VanDerWaalsContact O-N 3.13Å; S183-E185 PolarHBondContact O-N 3.07Å
184L97Very high96.5Very high0 Ų043.2 Ų43.20%020%0.2CC..  trans-67.9127.1179.3-76.9174000111.2L161 L164 L178 M181 T205 L206L161-L184 HydrophobicContact CD2-CD2 4.25Å; L161-L184 HydrophobicContact CG-CD2 4.22Å; L164-L184 HydrophobicContact CB-CD2 4.07Å; L178-L184 HydrophobicContact CD2-CD1 4.2Å; M181-L184 HydrophobicContact CB-CD1 3.6Å; M181-L184 HydrophobicContact CB-CG 3.83Å; M181-L184 HydrophobicContact CE-CD1 4.43Å; M181-L184 HydrophobicContact CE-CD2 4.43Å; M181-L184 HydrophobicContact CE-CG 4.4Å; M181-L184 HydrophobicContact CG-CD1 4.46Å; M181-L184 PolarHBondContact O-N 3.02Å; M181-L184 HydrophobicContact SD-CD1 4.13Å; L184-T205 PolarHBondContact N-OG1 3.28Å; L184-T205 CarbonylContact O-C 3.55Å; L184-T205 VanDerWaalsContact O-C 3.3Å; L184-T205 PolarHBondContact O-OG1 2.9Å; L184-L206 WeakPolarHBondContact O-CA 3.3Å; L184-L206 PolarHBondContact O-N 2.86Å
185E97.9Very high96.3Very high58 Ų5846.2 Ų46.227%0.27122%0.219SC..SBendtrans-102-35.1177.2-68.2172.1-161.900111.2K162 S183 T205 H207 L208K162-E185 HydrophobicContact CB-CB 4.46Å; K162-E185 HydrophobicContact CB-CG 4.38Å; K162-E185 WeakPolarHBondContact CD-OE1 3.1Å; K162-E185 WeakPolarHBondContact CE-OE1 3.24Å; K162-E185 IonicContact NZ-OE1 2.82Å; K162-E185 PolarHBondContact NZ-OE1 3.34Å; K162-E185 WeakPolarHBondContact O-CA 3.33Å; K162-E185 PolarHBondContact O-N 3.3Å; S183-E185 PolarHBondContact O-N 3.07Å; E185-T205 WeakPolarHBondContact CA-O 3.28Å; E185-H207 PolarHBondContact O-N 3.21Å; E185-L208 PolarHBondContact O-N 3.13Å; E185-L208 VanDerWaalsContact O-N 3.13Å
186I98.4Very high96.2Very high47 Ų4752.9 Ų52.924%0.24125%0.249CC..EExtended strand (participates in β ladder)trans-131126.9-179.7-58.4174.1000109.3K162 L164 W165 L208K162-I186 PolarHBondContact O-N 3.3Å; L164-I186 PolarHBondContact N-O 3.01Å; W165-I186 HydrophobicContact CH2-CD1 4.35Å; W165-I186 HydrophobicContact CZ2-CB 4.41Å; W165-I186 HydrophobicContact CZ2-CD1 4.05Å; W165-I186 HydrophobicContact CZ2-CG2 3.81Å; I186-L208 HydrophobicContact CG1-CB 4.21Å; I186-L208 HydrophobicContact CG2-CB 4.28Å; I186-L208 HydrophobicContact CG2-CD2 3.91Å; I186-L208 HydrophobicContact CG2-CG 4.3Å
187L98.3Very high96.2Very high0 Ų046.3 Ų46.30%022%0.222CC..EExtended strand (participates in β ladder)trans-131.6120.4172.3175.762.8000110.1L164 F174 L178 L189 L206 L208 F209 S210L164-L187 HydrophobicContact CB-CD1 4.33Å; L164-L187 HydrophobicContact CD2-CD1 4.06Å; L164-L187 HydrophobicContact CG-CD1 4.26Å; L164-L187 WeakPolarHBondContact O-CA 3.26Å; F174-L187 HydrophobicContact CE2-CD2 4.24Å; F174-L187 HydrophobicContact CZ-CD2 4.31Å; L178-L187 HydrophobicContact CD1-CD1 4.02Å; L178-L187 HydrophobicContact CD1-CD2 4.1Å; L187-L189 HydrophobicContact CD1-CG 4.18Å; L187-L189 HydrophobicContact CD2-CD1 4.25Å; L187-L189 HydrophobicContact CG-CD1 4.42Å; L187-L189 HydrophobicContact CG-CG 4.31Å; L187-L206 HydrophobicContact CB-CD1 4.01Å; L187-L208 PolarHBondContact N-O 3.31Å; L187-F209 HydrophobicContact CB-CD2 3.95Å; L187-F209 HydrophobicContact CB-CE2 4.49Å; L187-F209 HydrophobicContact CD2-CD2 3.77Å; L187-F209 HydrophobicContact CD2-CE2 3.61Å; L187-F209 HydrophobicContact CG-CD2 3.8Å; L187-F209 HydrophobicContact CG-CE2 3.83Å; L187-F209 WeakPolarHBondContact O-CA 3.24Å; L187-F209 WeakPolarHBondContact O-CD2 3.4Å; L187-S210 PolarHBondContact O-N 3.35Å
188D98.4Very high96.2Very high24 Ų2447.6 Ų47.613%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-117.3117.3176-1733.4000110.9L164 W165 L166 Y167 D190 S210L164-D188 PolarHBondContact O-N 3.43Å; W165-D188 HydrophobicContact CB-CB 4.27Å; W165-D188 VanDerWaalsContact CD1-CB 3.47Å; W165-D188 HydrophobicContact CG-CB 4.03Å; L166-D188 CarbonylContact C-O 3.5Å; L166-D188 WeakPolarHBondContact CA-O 3.4Å; L166-D188 PolarHBondContact N-O 2.97Å; Y167-D188 PolarHBondContact N-O 2.93Å; D188-D190 WeakPolarHBondContact OD1-CB 3.49Å; D188-D190 PolarHBondContact OD1-N 2.85Å; D188-S210 VanDerWaalsContact OD1-CB 3.25Å; D188-S210 WeakPolarHBondContact OD1-CB 3.41Å; D188-S210 PolarHBondContact OD1-OG 2.79Å; D188-S210 VanDerWaalsContact OD1-OG 3.04Å
189L97.9Very high96.1Very high0 Ų050.4 Ų50.40%025%0.251CS..  trans-121.219.6176.5-70.3174000111.5L166 F171 F174 L178 L187 N192 I194 F209 S210 N214L166-L189 HydrophobicContact CB-CD2 3.8Å; L166-L189 HydrophobicContact CD1-CD2 4.11Å; F171-L189 HydrophobicContact CD2-CD2 4.33Å; F174-L189 HydrophobicContact CD2-CD1 3.72Å; F174-L189 HydrophobicContact CE2-CD1 3.59Å; L178-L189 HydrophobicContact CD1-CD1 4.46Å; L187-L189 HydrophobicContact CD1-CG 4.18Å; L187-L189 HydrophobicContact CD2-CD1 4.25Å; L187-L189 HydrophobicContact CG-CD1 4.42Å; L187-L189 HydrophobicContact CG-CG 4.31Å; L189-N192 PolarHBondContact O-ND2 3.15Å; L189-I194 HydrophobicContact CB-CD1 4.16Å; L189-I194 HydrophobicContact CD1-CD1 3.95Å; L189-I194 HydrophobicContact CG-CD1 4.46Å; L189-F209 HydrophobicContact CD1-CE2 3.97Å; L189-F209 HydrophobicContact CD1-CZ 4.3Å; L189-F209 HydrophobicContact CG-CE2 4.42Å; L189-S210 PolarHBondContact N-O 3.25Å; L189-N214 PolarHBondContact O-ND2 3.39Å
190D97.1Very high96.1Very high24 Ų2448.8 Ų48.813%0.12824%0.242CC..  trans-51.8152.9177.1-178.732.6000112Y167 G168 D188 N192 D212 H213Y167-D190 CarbonylContact C-O 3.51Å; Y167-D190 WeakPolarHBondContact CA-O 3.44Å; Y167-D190 WeakPolarHBondContact CB-O 3.41Å; G168-D190 PolarHBondContact N-O 3.25Å; D188-D190 WeakPolarHBondContact OD1-CB 3.49Å; D188-D190 PolarHBondContact OD1-N 2.85Å; D190-N192 PolarHBondContact O-N 3.34Å; D190-N192 PolarHBondContact O-ND2 3.45Å; D190-N192 VanDerWaalsContact O-ND2 3.07Å; D190-D212 CarbonylContact C-O 3.46Å; D190-D212 VanDerWaalsContact CA-O 3.27Å; D190-D212 WeakPolarHBondContact CA-O 3.27Å; D190-D212 WeakPolarHBondContact OD1-CA 3.34Å; D190-D212 VanDerWaalsContact OD1-CB 3.3Å; D190-D212 WeakPolarHBondContact OD1-CB 3.06Å; D190-H213 WeakPolarHBondContact OD1-CB 3.42Å; D190-H213 IonicContact OD1-CE1 3.71Å; D190-H213 IonicContact OD1-CG 3.99Å; D190-H213 IonicContact OD1-ND1 2.73Å; D190-H213 PolarHBondContact OD1-ND1 2.84Å; D190-H213 IonicContact OD2-ND1 3.64Å
191K97.3Very high96Very high107 Ų10748.7 Ų48.747%0.46525%0.246SC..SBendtrans51.951.4175.3-65168.5-169.4173.20113.3G168 D212 H213G168-K191 WeakPolarHBondContact CA-O 3.34Å; G168-K191 PolarHBondContact N-O 3.07Å; K191-D212 PolarHBondContact N-O 3.21Å; K191-H213 WeakPolarHBondContact CA-O 3.3Å; K191-H213 HydrophobicContact CB-CB 4.24Å; K191-H213 HydrophobicContact CG-CB 3.58Å
192N98.2Very high95.8Very high9 Ų955.5 Ų55.55%0.04827%0.271CS..SBendtrans-117.6-164171.8-84.5-78.1000110.2L166 N169 R170 F171 L189 D190 I194 H213 N214L166-N192 PolarHBondContact O-ND2 2.87Å; N169-N192 VanDerWaalsContact CA-OD1 3.26Å; N169-N192 WeakPolarHBondContact CA-OD1 3.44Å; N169-N192 VanDerWaalsContact CB-OD1 3.24Å; N169-N192 WeakPolarHBondContact CB-OD1 3.27Å; N169-N192 PolarHBondContact N-OD1 2.95Å; N169-N192 PolarHBondContact O-OD1 3.3Å; R170-N192 PolarHBondContact N-OD1 3.22Å; F171-N192 HydrophobicContact CB-CB 4.28Å; F171-N192 WeakPolarHBondContact CD2-OD1 3.41Å; F171-N192 PolarHBondContact N-OD1 2.87Å; F171-N192 VanDerWaalsContact N-OD1 3.1Å; L189-N192 PolarHBondContact O-ND2 3.15Å; D190-N192 PolarHBondContact O-N 3.34Å; D190-N192 PolarHBondContact O-ND2 3.45Å; D190-N192 VanDerWaalsContact O-ND2 3.07Å; N192-I194 HydrophobicContact CB-CD1 4.3Å; N192-I194 HydrophobicContact CB-CG1 4.18Å; N192-H213 PolarHBondContact N-O 2.83Å; N192-N214 VanDerWaalsContact CA-OD1 3.23Å; N192-N214 WeakPolarHBondContact CA-OD1 3.09Å; N192-N214 WeakPolarHBondContact CB-OD1 3.42Å; N192-N214 PolarHBondContact N-ND2 2.61Å; N192-N214 PolarHBondContact N-OD1 2.99Å; N192-N214 PolarHBondContact O-OD1 2.97Å
193K97.3Very high95.9Very high119 Ų11951 Ų5152%0.51725%0.25SC..  trans-120.626.5-179.4-58.6-174.8179.4-172.50111.7F171 E172 T195 N214F171-K193 CarbonylContact O-C 3.32Å; F171-K193 VanDerWaalsContact O-CA 3.23Å; F171-K193 WeakPolarHBondContact O-CA 3.43Å; F171-K193 WeakPolarHBondContact O-CB 3.31Å; F171-K193 PolarHBondContact O-N 3.49Å; E172-K193 WeakPolarHBondContact CA-O 3.48Å; E172-K193 HydrophobicContact CG-CB 4.33Å; K193-T195 PolarHBondContact O-N 3.39Å; K193-N214 PolarHBondContact N-OD1 3.19Å
194I97.2Very high95.8Very high1 Ų159.5 Ų59.51%0.00528%0.275CS..  trans-73.4123.4-175.3-58.4170.8000108.8F171 F174 L189 N192 E196 L197 N214 P215 V216F171-I194 HydrophobicContact CB-CD1 4.23Å; F171-I194 HydrophobicContact CB-CG1 4.03Å; F171-I194 WeakPolarHBondContact O-CG1 3.06Å; F171-I194 PolarHBondContact O-N 3.03Å; F174-I194 HydrophobicContact CB-CG2 4.38Å; L189-I194 HydrophobicContact CB-CD1 4.16Å; L189-I194 HydrophobicContact CD1-CD1 3.95Å; L189-I194 HydrophobicContact CG-CD1 4.46Å; N192-I194 HydrophobicContact CB-CD1 4.3Å; N192-I194 HydrophobicContact CB-CG1 4.18Å; I194-E196 WeakPolarHBondContact CG2-O 3.37Å; I194-L197 HydrophobicContact CG2-CD2 3.78Å; I194-L197 HydrophobicContact CG2-CG 4.35Å; I194-N214 HydrophobicContact CB-CB 4.39Å; I194-N214 VanDerWaalsContact CB-OD1 3.29Å; I194-N214 WeakPolarHBondContact CB-OD1 3.21Å; I194-N214 WeakPolarHBondContact CG1-OD1 3.2Å; I194-N214 PolarHBondContact N-OD1 3.4Å; I194-P215 CarbonylContact O-C 3.11Å; I194-P215 VanDerWaalsContact O-CD 3.23Å; I194-P215 WeakPolarHBondContact O-CD 3.45Å; I194-P215 WeakPolarHBondContact O-CG 3.4Å; I194-V216 HydrophobicContact CG2-CG2 4.46Å; I194-V216 WeakPolarHBondContact O-CG2 3.23Å
195T93.8Very high95.7Very high72 Ų7261.8 Ų61.844%0.44229%0.29SS..  trans-92.8-25.7179.3520000113.2K193 P215K193-T195 PolarHBondContact O-N 3.39Å; T195-P215 HydrophobicContact CG2-CG 3.92Å
196E93.6Very high95.7Very high152 Ų15259.2 Ų59.271%0.7128%0.278SS*.  trans-140.3136.8-174.5-66.3-178.5-177.800110.8I194I194-E196 WeakPolarHBondContact CG2-O 3.37Å
197L94.8Very high95.6Very high29 Ų2962 Ų6215%0.15229%0.29CS..  trans-114.8132177.6-66.2172.6000110.8F174 I194 F209 Y211 V216 P220F174-L197 HydrophobicContact CB-CD2 4.41Å; F174-L197 HydrophobicContact CD2-CD2 3.7Å; F174-L197 HydrophobicContact CG-CD2 4.45Å; I194-L197 HydrophobicContact CG2-CD2 3.78Å; I194-L197 HydrophobicContact CG2-CG 4.35Å; L197-F209 HydrophobicContact CD1-CE1 4.03Å; L197-F209 HydrophobicContact CD1-CZ 4.38Å; L197-F209 HydrophobicContact CD2-CZ 4.13Å; L197-Y211 HydrophobicContact CD1-CD1 4.28Å; L197-Y211 HydrophobicContact CD1-CD2 3.66Å; L197-Y211 HydrophobicContact CD1-CE2 4.29Å; L197-Y211 HydrophobicContact CD1-CG 3.68Å; L197-V216 HydrophobicContact CD1-CB 4.49Å; L197-V216 HydrophobicContact CD1-CG1 3.92Å; L197-V216 HydrophobicContact CD1-CG2 3.93Å; L197-V216 HydrophobicContact CG-CG1 4.17Å; L197-V216 HydrophobicContact CG-CG2 3.92Å; L197-P220 HydrophobicContact CB-CB 3.81Å; L197-P220 HydrophobicContact CB-CG 4.43Å; L197-P220 HydrophobicContact CD1-CB 4.14Å; L197-P220 HydrophobicContact CD1-CG 3.84Å
198P95Very high95.5Very high40 Ų4064.6 Ų64.626%0.2630%0.303SS..  trans-73.9170.7174.533-35.8000111.4F174 L179 L200F174-P198 HydrophobicContact CB-CG 4.28Å; F174-P198 HydrophobicContact CD1-CG 3.44Å; F174-P198 VanDerWaalsContact CD1-CG 3.44Å; F174-P198 HydrophobicContact CD2-CG 4.4Å; F174-P198 HydrophobicContact CE1-CG 3.8Å; F174-P198 VanDerWaalsContact CG-CD 3.42Å; F174-P198 HydrophobicContact CG-CG 3.78Å; F174-P198 HydrophobicContact CZ-CG 4.41Å; L179-P198 HydrophobicContact CD1-CB 4.3Å; L179-P198 HydrophobicContact CD1-CG 4.21Å; L179-P198 HydrophobicContact CD2-CG 4.05Å; P198-L200 HydrophobicContact CG-CD2 4.29Å; P198-L200 PolarHBondContact O-N 2.85Å
199S94.7Very high95.4Very high60 Ų6063.5 Ų63.542%0.4230%0.297SS..  trans-66.3122.9167.8171.40000110.7K221S199-K221 CarbonylContact C-O 3.46Å
200L95.2Very high95.4Very high1 Ų164.1 Ų64.11%0.00530%0.301CS..  trans-96.95.8178.2-53.7176.7000113.3F174 L179 P198 R202 L203 L206 F209 P220 K221 V222F174-L200 HydrophobicContact CE1-CD2 4.28Å; F174-L200 HydrophobicContact CE2-CD2 4Å; F174-L200 HydrophobicContact CZ-CD2 3.62Å; L179-L200 HydrophobicContact CD2-CD2 3.68Å; P198-L200 HydrophobicContact CG-CD2 4.29Å; P198-L200 PolarHBondContact O-N 2.85Å; L200-R202 PolarHBondContact O-N 3.24Å; L200-L203 HydrophobicContact CB-CD1 4.38Å; L200-L203 HydrophobicContact CD2-CD1 4.16Å; L200-L203 WeakPolarHBondContact O-CB 3.36Å; L200-L203 PolarHBondContact O-N 2.83Å; L200-L206 HydrophobicContact CD1-CD2 4.37Å; L200-F209 HydrophobicContact CD1-CD1 3.53Å; L200-F209 HydrophobicContact CD1-CD2 4.04Å; L200-F209 HydrophobicContact CD1-CE1 3.6Å; L200-F209 HydrophobicContact CD1-CE2 4.08Å; L200-F209 HydrophobicContact CD1-CG 3.77Å; L200-F209 HydrophobicContact CD1-CZ 3.86Å; L200-P220 HydrophobicContact CD1-CG 4.49Å; L200-K221 PolarHBondContact N-O 3.43Å; L200-V222 HydrophobicContact CB-CG1 4.09Å; L200-V222 HydrophobicContact CD1-CG1 4.11Å; L200-V222 HydrophobicContact CG-CG1 4.49Å
201K91.8Very high95.3Very high134 Ų13463.1 Ų63.158%0.58330%0.296SS*.THydrogen-bonded Turntrans-50.7-21177.5-72.5-167.3172.7-165.80115.7L203 K221K201-L203 VanDerWaalsContact C-N 3.35Å; K201-K221 PolarHBondContact N-O 3.12Å
202R91.5Very high95.2Very high150 Ų15060.3 Ų60.357%0.56629%0.286SS*.THydrogen-bonded Turntrans-75.1-22.9177.1-70.1-174.460.2178.9-3.4113.4E182 L200 R204E182-R202 IonicContact OE1-NH2 3.57Å; L200-R202 PolarHBondContact O-N 3.24Å; R202-R204 VanDerWaalsContact C-N 3.32Å; R202-R204 PolarHBondContact O-N 2.93Å
203L94.1Very high95Very high2 Ų265.3 Ų65.31%0.0131%0.309CS..  trans-81.980.7178.3-56.3-178.8000108.8L178 M181 L200 K201 T205 L206L178-L203 WeakPolarHBondContact O-CD2 3.26Å; M181-L203 WeakPolarHBondContact O-CD2 3.33Å; L200-L203 HydrophobicContact CB-CD1 4.38Å; L200-L203 HydrophobicContact CD2-CD1 4.16Å; L200-L203 WeakPolarHBondContact O-CB 3.36Å; L200-L203 PolarHBondContact O-N 2.83Å; K201-L203 VanDerWaalsContact C-N 3.35Å; L203-T205 VanDerWaalsContact C-N 3.3Å; L203-T205 PolarHBondContact O-N 3.29Å; L203-L206 HydrophobicContact CB-CB 3.86Å; L203-L206 HydrophobicContact CB-CD2 4.13Å; L203-L206 HydrophobicContact CD1-CD2 4.02Å; L203-L206 VanDerWaalsContact O-CB 3.28Å; L203-L206 WeakPolarHBondContact O-CB 3.22Å; L203-L206 PolarHBondContact O-N 3.3Å
204R92.2Very high94.9Very high220 Ų22060 Ų6083%0.8329%0.286SS*.THydrogen-bonded Turntrans-69.6-27-169.7-62.3-177.4-174.9-169.21.7113.6R202 L206R202-R204 VanDerWaalsContact C-N 3.32Å; R202-R204 PolarHBondContact O-N 2.93Å; R204-L206 VanDerWaalsContact C-N 3.33Å
205T95.7Very high94.8Very high49 Ų4963.6 Ų63.630%0.30131%0.31SS..THydrogen-bonded Turntrans-87.4-3.9177.857.10000112.9E182 L184 E185 L203 H207E182-T205 WeakPolarHBondContact O-CG2 3.32Å; E182-T205 PolarHBondContact O-OG1 3.04Å; L184-T205 PolarHBondContact N-OG1 3.28Å; L184-T205 CarbonylContact O-C 3.55Å; L184-T205 VanDerWaalsContact O-C 3.3Å; L184-T205 PolarHBondContact O-OG1 2.9Å; E185-T205 WeakPolarHBondContact CA-O 3.28Å; L203-T205 VanDerWaalsContact C-N 3.3Å; L203-T205 PolarHBondContact O-N 3.29Å; T205-H207 PolarHBondContact O-CD2 3.28Å; T205-H207 VanDerWaalsContact O-CD2 3.23Å; T205-H207 PolarHBondContact O-N 3.25Å; T205-H207 PolarHBondContact O-NE2 3.27Å
206L97.1Very high94.7Very high4 Ų460.7 Ų60.72%0.02129%0.292CS..  trans-68.9122.2-174.2-168.167.3000109.7L184 L187 L200 L203 R204 L208 F209 V226L184-L206 WeakPolarHBondContact O-CA 3.3Å; L184-L206 PolarHBondContact O-N 2.86Å; L187-L206 HydrophobicContact CB-CD1 4.01Å; L200-L206 HydrophobicContact CD1-CD2 4.37Å; L203-L206 HydrophobicContact CB-CB 3.86Å; L203-L206 HydrophobicContact CB-CD2 4.13Å; L203-L206 HydrophobicContact CD1-CD2 4.02Å; L203-L206 VanDerWaalsContact O-CB 3.28Å; L203-L206 WeakPolarHBondContact O-CB 3.22Å; L203-L206 PolarHBondContact O-N 3.3Å; R204-L206 VanDerWaalsContact C-N 3.33Å; L206-L208 WeakPolarHBondContact CD1-O 2.99Å; L206-F209 HydrophobicContact CD2-CB 4Å; L206-V226 HydrophobicContact CB-CG2 4.28Å; L206-V226 HydrophobicContact CD2-CG1 4.34Å; L206-V226 HydrophobicContact CG-CG1 4.33Å; L206-V226 WeakPolarHBondContact O-CG2 3.28Å
207H95.7Very high94.4Very high106 Ų10663 Ų6349%0.49130%0.3SS..  trans-106.8-35.5178.2-62.8-53.6000111.4E185 T205 F227E185-H207 PolarHBondContact O-N 3.21Å; T205-H207 PolarHBondContact O-CD2 3.28Å; T205-H207 VanDerWaalsContact O-CD2 3.23Å; T205-H207 PolarHBondContact O-N 3.25Å; T205-H207 PolarHBondContact O-NE2 3.27Å; H207-F227 WeakPolarHBondContact O-CB 3.36Å; H207-F227 PolarHBondContact O-N 3.32Å
208L96.5Very high94.1Very high54 Ų5469 Ų6928%0.28333%0.327SS..EExtended strand (participates in β ladder)trans-129.7124.6-178.5177.362.8000110.2E185 I186 L187 L206 F227 V229E185-L208 PolarHBondContact O-N 3.13Å; E185-L208 VanDerWaalsContact O-N 3.13Å; I186-L208 HydrophobicContact CG1-CB 4.21Å; I186-L208 HydrophobicContact CG2-CB 4.28Å; I186-L208 HydrophobicContact CG2-CD2 3.91Å; I186-L208 HydrophobicContact CG2-CG 4.3Å; L187-L208 PolarHBondContact N-O 3.31Å; L206-L208 WeakPolarHBondContact CD1-O 2.99Å; L208-F227 HydrophobicContact CD1-CB 4.38Å; L208-F227 HydrophobicContact CD1-CD1 3.63Å; L208-F227 HydrophobicContact CD1-CE1 4.49Å; L208-F227 HydrophobicContact CD1-CG 4.49Å; L208-V229 HydrophobicContact CD1-CG2 4.15Å
209F97.3Very high93.8Very high0 Ų068.9 Ų68.90%033%0.326CS..EExtended strand (participates in β ladder)trans-127.6114.1168.5-179.2-117.5000111.1F174 L187 L189 L197 L200 L206 Y211 P220 V226 F227 L228 V229F174-F209 HydrophobicContact CE2-CE2 4.43Å; F174-F209 HydrophobicContact CE2-CZ 4.38Å; L187-F209 HydrophobicContact CB-CD2 3.95Å; L187-F209 HydrophobicContact CB-CE2 4.49Å; L187-F209 HydrophobicContact CD2-CD2 3.77Å; L187-F209 HydrophobicContact CD2-CE2 3.61Å; L187-F209 HydrophobicContact CG-CD2 3.8Å; L187-F209 HydrophobicContact CG-CE2 3.83Å; L187-F209 WeakPolarHBondContact O-CA 3.24Å; L187-F209 WeakPolarHBondContact O-CD2 3.4Å; L189-F209 HydrophobicContact CD1-CE2 3.97Å; L189-F209 HydrophobicContact CD1-CZ 4.3Å; L189-F209 HydrophobicContact CG-CE2 4.42Å; L197-F209 HydrophobicContact CD1-CE1 4.03Å; L197-F209 HydrophobicContact CD1-CZ 4.38Å; L197-F209 HydrophobicContact CD2-CZ 4.13Å; L200-F209 HydrophobicContact CD1-CD1 3.53Å; L200-F209 HydrophobicContact CD1-CD2 4.04Å; L200-F209 HydrophobicContact CD1-CE1 3.6Å; L200-F209 HydrophobicContact CD1-CE2 4.08Å; L200-F209 HydrophobicContact CD1-CG 3.77Å; L200-F209 HydrophobicContact CD1-CZ 3.86Å; L206-F209 HydrophobicContact CD2-CB 4Å; F209-Y211 AromaticContact CD1-CD1 3.77Å; F209-Y211 HydrophobicContact CD1-CD1 3.77Å; F209-Y211 AromaticContact CE1-CD1 3.52Å; F209-Y211 HydrophobicContact CE1-CD1 3.52Å; F209-Y211 AromaticContact CE1-CG 3.87Å; F209-Y211 HydrophobicContact CE1-CG 3.87Å; F209-Y211 HydrophobicContact CZ-CD1 4.44Å; F209-Y211 HydrophobicContact CZ-CG 4.43Å; F209-P220 HydrophobicContact CD1-CG 4.03Å; F209-P220 HydrophobicContact CE1-CG 3.79Å; F209-V226 HydrophobicContact CB-CG1 4.17Å; F209-F227 PolarHBondContact N-O 3.46Å; F209-L228 HydrophobicContact CB-CD2 4.01Å; F209-L228 HydrophobicContact CD1-CD2 3.63Å; F209-L228 HydrophobicContact CG-CD2 4.31Å; F209-L228 WeakPolarHBondContact O-CA 3.47Å; F209-V229 PolarHBondContact O-N 3.4Å
210S96.8Very high93.8Very high13 Ų1366.2 Ų66.29%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-104.5126.3175.11750000109.5L187 D188 L189 V229L187-S210 PolarHBondContact O-N 3.35Å; D188-S210 VanDerWaalsContact OD1-CB 3.25Å; D188-S210 WeakPolarHBondContact OD1-CB 3.41Å; D188-S210 PolarHBondContact OD1-OG 2.79Å; D188-S210 VanDerWaalsContact OD1-OG 3.04Å; L189-S210 PolarHBondContact N-O 3.25Å; S210-V229 WeakPolarHBondContact CA-O 3.23Å
211Y95.9Very high93.6Very high3 Ų373.1 Ų73.11%0.01234%0.337CS..  trans-135.614.917868.1-86.4000112.4L197 F209 N214 V216 P219 P220 L228 V229 E231 A233L197-Y211 HydrophobicContact CD1-CD1 4.28Å; L197-Y211 HydrophobicContact CD1-CD2 3.66Å; L197-Y211 HydrophobicContact CD1-CE2 4.29Å; L197-Y211 HydrophobicContact CD1-CG 3.68Å; F209-Y211 AromaticContact CD1-CD1 3.77Å; F209-Y211 HydrophobicContact CD1-CD1 3.77Å; F209-Y211 AromaticContact CE1-CD1 3.52Å; F209-Y211 HydrophobicContact CE1-CD1 3.52Å; F209-Y211 AromaticContact CE1-CG 3.87Å; F209-Y211 HydrophobicContact CE1-CG 3.87Å; F209-Y211 HydrophobicContact CZ-CD1 4.44Å; F209-Y211 HydrophobicContact CZ-CG 4.43Å; Y211-N214 WeakPolarHBondContact O-CB 3.19Å; Y211-N214 PolarHBondContact O-ND2 3.23Å; Y211-V216 HydrophobicContact CD2-CB 4.44Å; Y211-V216 HydrophobicContact CD2-CG2 4.37Å; Y211-P219 WeakPolarHBondContact OH-CB 3.44Å; Y211-P220 HydrophobicContact CD1-CG 4.5Å; Y211-P220 HydrophobicContact CE1-CG 4.38Å; Y211-L228 HydrophobicContact CD1-CD2 4.39Å; Y211-L228 HydrophobicContact CE1-CD2 4.07Å; Y211-V229 WeakPolarHBondContact CD1-O 3.45Å; Y211-V229 PolarHBondContact N-O 3.06Å; Y211-E231 PolarHBondContact OH-O 2.76Å; Y211-A233 HydrophobicContact CE1-CB 4.48Å
212D94.3Very high93.7Very high48 Ų4867.3 Ų67.326%0.25731%0.313SS..  trans-57.4166.2-176.5-159.615000112.4D190 K191 N214 V229D190-D212 CarbonylContact C-O 3.46Å; D190-D212 VanDerWaalsContact CA-O 3.27Å; D190-D212 WeakPolarHBondContact CA-O 3.27Å; D190-D212 WeakPolarHBondContact OD1-CA 3.34Å; D190-D212 VanDerWaalsContact OD1-CB 3.3Å; D190-D212 WeakPolarHBondContact OD1-CB 3.06Å; K191-D212 PolarHBondContact N-O 3.21Å; D212-N214 PolarHBondContact O-N 2.71Å; D212-N214 PolarHBondContact O-ND2 3Å; D212-V229 PolarHBondContact N-O 2.81Å
213H95.1Very high93.5Very high114 Ų11461.4 Ų61.453%0.52830%0.299SS..SBendtrans47.639.4-178.8-53.287.5000113.7D190 K191 N192D190-H213 WeakPolarHBondContact OD1-CB 3.42Å; D190-H213 IonicContact OD1-CE1 3.71Å; D190-H213 IonicContact OD1-CG 3.99Å; D190-H213 IonicContact OD1-ND1 2.73Å; D190-H213 PolarHBondContact OD1-ND1 2.84Å; D190-H213 IonicContact OD2-ND1 3.64Å; K191-H213 WeakPolarHBondContact CA-O 3.3Å; K191-H213 HydrophobicContact CB-CB 4.24Å; K191-H213 HydrophobicContact CG-CB 3.58Å; N192-H213 PolarHBondContact N-O 2.83Å
214N95.1Very high93.1Very high9 Ų966.7 Ų66.75%0.04832%0.323CS..SBendtrans-120.2147.8168.2-78.3-93.7000108.7L189 N192 K193 I194 Y211 D212 V216L189-N214 PolarHBondContact O-ND2 3.39Å; N192-N214 VanDerWaalsContact CA-OD1 3.23Å; N192-N214 WeakPolarHBondContact CA-OD1 3.09Å; N192-N214 WeakPolarHBondContact CB-OD1 3.42Å; N192-N214 PolarHBondContact N-ND2 2.61Å; N192-N214 PolarHBondContact N-OD1 2.99Å; N192-N214 PolarHBondContact O-OD1 2.97Å; K193-N214 PolarHBondContact N-OD1 3.19Å; I194-N214 HydrophobicContact CB-CB 4.39Å; I194-N214 VanDerWaalsContact CB-OD1 3.29Å; I194-N214 WeakPolarHBondContact CB-OD1 3.21Å; I194-N214 WeakPolarHBondContact CG1-OD1 3.2Å; I194-N214 PolarHBondContact N-OD1 3.4Å; Y211-N214 WeakPolarHBondContact O-CB 3.19Å; Y211-N214 PolarHBondContact O-ND2 3.23Å; D212-N214 PolarHBondContact O-N 2.71Å; D212-N214 PolarHBondContact O-ND2 3Å; N214-V216 HydrophobicContact CB-CG2 3.82Å; N214-V216 PolarHBondContact O-N 3.44Å
215P94.1Very high92.9Very high76 Ų7662.5 Ų62.549%0.49432%0.317SS..  trans-74.447177.933.5-38000113I194 T195I194-P215 CarbonylContact O-C 3.11Å; I194-P215 VanDerWaalsContact O-CD 3.23Å; I194-P215 WeakPolarHBondContact O-CD 3.45Å; I194-P215 WeakPolarHBondContact O-CG 3.4Å; T195-P215 HydrophobicContact CG2-CG 3.92Å
216V92.7Very high92.8Very high11 Ų1160.4 Ų60.47%0.06730%0.304CS..  trans-85130.6179.9178.30000109.2I194 L197 Y211 N214 E218I194-V216 HydrophobicContact CG2-CG2 4.46Å; I194-V216 WeakPolarHBondContact O-CG2 3.23Å; L197-V216 HydrophobicContact CD1-CB 4.49Å; L197-V216 HydrophobicContact CD1-CG1 3.92Å; L197-V216 HydrophobicContact CD1-CG2 3.93Å; L197-V216 HydrophobicContact CG-CG1 4.17Å; L197-V216 HydrophobicContact CG-CG2 3.92Å; Y211-V216 HydrophobicContact CD2-CB 4.44Å; Y211-V216 HydrophobicContact CD2-CG2 4.37Å; N214-V216 HydrophobicContact CB-CG2 3.82Å; N214-V216 PolarHBondContact O-N 3.44Å; V216-E218 WeakPolarHBondContact CG1-O 3.48Å
217K86.9Confident92.5Very high201 Ų20165.9 Ų65.987%0.87433%0.328SS*.SBendtrans-77.9-35-178.6-64.7-178.7-179.8176.90114.1
218E87.9Confident92.4Very high154 Ų15461.1 Ų61.172%0.7231%0.307SS*.SBendtrans-139.8144.5-173.8-68.9-177.1-171.900111.1V216V216-E218 WeakPolarHBondContact CG1-O 3.48Å
219P90.3Very high92.2Very high37 Ų3761 Ų6124%0.2431%0.308CS..  trans-60.8143.6175.424.4-32.9000111.4Y211 F236Y211-P219 WeakPolarHBondContact OH-CB 3.44Å; P219-F236 HydrophobicContact CB-CB 4.26Å; P219-F236 HydrophobicContact CB-CD2 4.34Å; P219-F236 HydrophobicContact CB-CG 4.19Å; P219-F236 HydrophobicContact CG-CB 3.88Å; P219-F236 HydrophobicContact CG-CD2 3.79Å; P219-F236 HydrophobicContact CG-CG 3.95Å
220P93.1Very high91.8Very high5 Ų561.8 Ų61.83%0.03232%0.316CS..  trans-73.5156.1-179.431.8-36.2000112.3L197 L200 F209 Y211 V222 L228L197-P220 HydrophobicContact CB-CB 3.81Å; L197-P220 HydrophobicContact CB-CG 4.43Å; L197-P220 HydrophobicContact CD1-CB 4.14Å; L197-P220 HydrophobicContact CD1-CG 3.84Å; L200-P220 HydrophobicContact CD1-CG 4.49Å; F209-P220 HydrophobicContact CD1-CG 4.03Å; F209-P220 HydrophobicContact CE1-CG 3.79Å; Y211-P220 HydrophobicContact CD1-CG 4.5Å; Y211-P220 HydrophobicContact CE1-CG 4.38Å; P220-V222 HydrophobicContact CB-CG1 4.48Å; P220-V222 HydrophobicContact CG-CG1 4.08Å; P220-V222 PolarHBondContact O-N 3.16Å; P220-L228 HydrophobicContact CG-CD2 4.28Å
221K91.9Very high91.2Very high145 Ų14567.5 Ų67.563%0.6334%0.341SS*.  trans-74.9114.2170.1-64.7-179.9-175174.90110S199 L200 K201S199-K221 CarbonylContact C-O 3.46Å; L200-K221 PolarHBondContact N-O 3.43Å; K201-K221 PolarHBondContact N-O 3.12Å
222V92.9Very high90.4Very high12 Ų1268.9 Ų68.97%0.07336%0.357CS..  trans-118.5173.3178.6-59.50000112.4L200 P220 V226 L228L200-V222 HydrophobicContact CB-CG1 4.09Å; L200-V222 HydrophobicContact CD1-CG1 4.11Å; L200-V222 HydrophobicContact CG-CG1 4.49Å; P220-V222 HydrophobicContact CB-CG1 4.48Å; P220-V222 HydrophobicContact CG-CG1 4.08Å; P220-V222 PolarHBondContact O-N 3.16Å; V222-V226 HydrophobicContact CB-CB 3.94Å; V222-V226 HydrophobicContact CB-CG1 4.08Å; V222-V226 HydrophobicContact CB-CG2 4.08Å; V222-V226 HydrophobicContact CG1-CG1 4.38Å; V222-V226 HydrophobicContact CG2-CB 3.85Å; V222-V226 HydrophobicContact CG2-CG1 4.15Å; V222-V226 HydrophobicContact CG2-CG2 4.44Å; V222-L228 HydrophobicContact CG1-CD1 4.37Å; V222-L228 HydrophobicContact CG1-CD2 3.77Å; V222-L228 HydrophobicContact CG1-CG 4.41Å; V222-L228 HydrophobicContact CG2-CD1 3.65Å; V222-L228 HydrophobicContact CG2-CD2 4.18Å; V222-L228 HydrophobicContact CG2-CG 3.91Å
223G89Confident90Very high26 Ų2666.8 Ų66.827%0.26835%0.346SS..  trans-62.8160169.100000112.6D225 V226 R240G223-D225 PolarHBondContact O-N 3.46Å; G223-V226 PolarHBondContact O-N 3.4Å; G223-R240 PolarHBondContact O-NH1 3.27Å
224E85.2Confident89.3Confident114 Ų11464.7 Ų64.753%0.53335%0.348SS..THydrogen-bonded Turntrans-67.8-22.4-171.8-65.1-163.4171.900114.4R240 K244E224-R240 PolarHBondContact O-NH1 3.18Å; E224-R240 VanDerWaalsContact O-NH1 3.13Å; E224-R240 PolarHBondContact O-NH2 3.5Å; E224-K244 PolarHBondContact O-NZ 3.08Å
225D87.5Confident88.8Confident131 Ų13170.9 Ų70.970%0.70138%0.377SS*.THydrogen-bonded Turntrans-106.54.1-176.3-53.7-41000112.7G223 K244G223-D225 PolarHBondContact O-N 3.46Å; D225-K244 IonicContact OD1-NZ 3.51Å
226V92.8Very high88.3Confident5 Ų570.4 Ų70.43%0.0337%0.367CS..  trans-75.5129.2176.7-178.80000108.5L206 F209 V222 G223 L228 R240L206-V226 HydrophobicContact CB-CG2 4.28Å; L206-V226 HydrophobicContact CD2-CG1 4.34Å; L206-V226 HydrophobicContact CG-CG1 4.33Å; L206-V226 WeakPolarHBondContact O-CG2 3.28Å; F209-V226 HydrophobicContact CB-CG1 4.17Å; V222-V226 HydrophobicContact CB-CB 3.94Å; V222-V226 HydrophobicContact CB-CG1 4.08Å; V222-V226 HydrophobicContact CB-CG2 4.08Å; V222-V226 HydrophobicContact CG1-CG1 4.38Å; V222-V226 HydrophobicContact CG2-CB 3.85Å; V222-V226 HydrophobicContact CG2-CG1 4.15Å; V222-V226 HydrophobicContact CG2-CG2 4.44Å; G223-V226 PolarHBondContact O-N 3.4Å; V226-L228 HydrophobicContact CG1-CD2 4.46Å; V226-R240 PolarHBondContact O-NH1 2.91Å; V226-R240 PolarHBondContact O-NH2 3.34Å
227F92.1Very high87.9Confident119 Ų11970.8 Ų70.852%0.52237%0.368SS..EExtended strand (participates in β ladder)trans-84.4125.1167.8-169.5-100.7000109.7H207 L208 F209 V229 M237H207-F227 WeakPolarHBondContact O-CB 3.36Å; H207-F227 PolarHBondContact O-N 3.32Å; L208-F227 HydrophobicContact CD1-CB 4.38Å; L208-F227 HydrophobicContact CD1-CD1 3.63Å; L208-F227 HydrophobicContact CD1-CE1 4.49Å; L208-F227 HydrophobicContact CD1-CG 4.49Å; F209-F227 PolarHBondContact N-O 3.46Å; F227-V229 HydrophobicContact CD1-CG2 3.8Å; F227-V229 HydrophobicContact CE1-CG2 3.47Å; F227-V229 VanDerWaalsContact CE1-CG2 3.47Å; F227-M237 HydrophobicContact CD2-CE 4.22Å
228L92.8Very high87.8Confident7 Ų767.4 Ų67.44%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-106.7134-178.4-75.5175.8000110.8F209 Y211 P220 V222 V226 A233 F236 M237F209-L228 HydrophobicContact CB-CD2 4.01Å; F209-L228 HydrophobicContact CD1-CD2 3.63Å; F209-L228 HydrophobicContact CG-CD2 4.31Å; F209-L228 WeakPolarHBondContact O-CA 3.47Å; Y211-L228 HydrophobicContact CD1-CD2 4.39Å; Y211-L228 HydrophobicContact CE1-CD2 4.07Å; P220-L228 HydrophobicContact CG-CD2 4.28Å; V222-L228 HydrophobicContact CG1-CD1 4.37Å; V222-L228 HydrophobicContact CG1-CD2 3.77Å; V222-L228 HydrophobicContact CG1-CG 4.41Å; V222-L228 HydrophobicContact CG2-CD1 3.65Å; V222-L228 HydrophobicContact CG2-CD2 4.18Å; V222-L228 HydrophobicContact CG2-CG 3.91Å; V226-L228 HydrophobicContact CG1-CD2 4.46Å; L228-A233 HydrophobicContact CB-CB 3.89Å; L228-F236 HydrophobicContact CD1-CD1 3.76Å; L228-F236 HydrophobicContact CD1-CE1 3.81Å; L228-M237 HydrophobicContact CB-SD 4.39Å
229V91.9Very high87.7Confident52 Ų5265.8 Ų65.832%0.31535%0.351SS..EExtended strand (participates in β ladder)trans-123.8119171.7-176.20000108.3L208 F209 S210 Y211 D212 F227L208-V229 HydrophobicContact CD1-CG2 4.15Å; F209-V229 PolarHBondContact O-N 3.4Å; S210-V229 WeakPolarHBondContact CA-O 3.23Å; Y211-V229 WeakPolarHBondContact CD1-O 3.45Å; Y211-V229 PolarHBondContact N-O 3.06Å; D212-V229 PolarHBondContact N-O 2.81Å; F227-V229 HydrophobicContact CD1-CG2 3.8Å; F227-V229 HydrophobicContact CE1-CG2 3.47Å; F227-V229 VanDerWaalsContact CE1-CG2 3.47Å
230G88.8Confident87.6Confident16 Ų1666.1 Ų66.117%0.16535%0.347CS..SBendtrans161.2174.6179.200000113.6G232 A233G230-G232 PolarHBondContact O-N 3.42Å; G230-A233 WeakPolarHBondContact O-CB 3.32Å; G230-A233 PolarHBondContact O-N 3.33Å
231E84.2Confident87.3Confident132 Ų13271.4 Ų71.462%0.61737%0.372SS*.THydrogen-bonded Turntrans-56.5129.1175.9-165.6173.1179.700110.7Y211 A233Y211-E231 PolarHBondContact OH-O 2.76Å; E231-A233 PolarHBondContact O-N 3.17Å
232G80.8Confident87.1Confident33 Ų3366.8 Ų66.834%0.3436%0.36SS..THydrogen-bonded Turntrans73.5-1.7-175.300000115.8G230 F236G230-G232 PolarHBondContact O-N 3.42Å; G232-F236 WeakPolarHBondContact O-CB 3.3Å; G232-F236 PolarHBondContact O-N 3.41Å; G232-F236 VanDerWaalsContact O-N 3.17Å
233A84.4Confident86.9Confident3 Ų373.6 Ų73.63%0.02539%0.385CS..Hα-helixtrans-67.2-41.1-178.500000112.5Y211 L228 G230 E231 F236 M237Y211-A233 HydrophobicContact CE1-CB 4.48Å; L228-A233 HydrophobicContact CB-CB 3.89Å; G230-A233 WeakPolarHBondContact O-CB 3.32Å; G230-A233 PolarHBondContact O-N 3.33Å; E231-A233 PolarHBondContact O-N 3.17Å; A233-F236 PolarHBondContact O-N 3.18Å; A233-M237 WeakPolarHBondContact O-CB 3.28Å; A233-M237 WeakPolarHBondContact O-CG 3.25Å; A233-M237 PolarHBondContact O-N 3.5Å
234A81.2Confident86.8Confident70 Ų7075.7 Ų75.758%0.57939%0.386SS*.Hα-helixtrans-59.6-53.1-179.100000111.7F236 M237 E238A234-F236 VanDerWaalsContact C-N 3.32Å; A234-F236 PolarHBondContact O-N 2.85Å; A234-M237 PolarHBondContact O-N 3.28Å; A234-M237 VanDerWaalsContact O-N 3.15Å; A234-E238 WeakPolarHBondContact O-CG 3.35Å; A234-E238 PolarHBondContact O-N 3.15Å
235E84.6Confident87Confident139 Ų13973.3 Ų73.365%0.6538%0.375SS*.Hα-helixtrans-59.7-41.9177.4-63.3179.9-178.200111.8M237 E238 I239E235-M237 VanDerWaalsContact C-N 3.33Å; E235-M237 PolarHBondContact O-N 3.5Å; E235-E238 PolarHBondContact O-N 2.91Å; E235-I239 VanDerWaalsContact O-CG1 3.26Å; E235-I239 WeakPolarHBondContact O-CG1 3.36Å; E235-I239 PolarHBondContact O-N 2.96Å
236F84.1Confident87.2Confident66 Ų6676.2 Ų76.229%0.28938%0.376SS..Hα-helixtrans-61.6-41.3176.8178.8-94.6000112.5P219 L228 G232 A233 A234 R240P219-F236 HydrophobicContact CB-CB 4.26Å; P219-F236 HydrophobicContact CB-CD2 4.34Å; P219-F236 HydrophobicContact CB-CG 4.19Å; P219-F236 HydrophobicContact CG-CB 3.88Å; P219-F236 HydrophobicContact CG-CD2 3.79Å; P219-F236 HydrophobicContact CG-CG 3.95Å; L228-F236 HydrophobicContact CD1-CD1 3.76Å; L228-F236 HydrophobicContact CD1-CE1 3.81Å; G232-F236 WeakPolarHBondContact O-CB 3.3Å; G232-F236 PolarHBondContact O-N 3.41Å; G232-F236 VanDerWaalsContact O-N 3.17Å; A233-F236 PolarHBondContact O-N 3.18Å; A234-F236 VanDerWaalsContact C-N 3.32Å; A234-F236 PolarHBondContact O-N 2.85Å; F236-R240 WeakPolarHBondContact O-CB 3.37Å; F236-R240 PolarHBondContact O-N 3.28Å
237M83.9Confident87.1Confident19 Ų1982 Ų829%0.09440%0.397CS..Hα-helixtrans-68.7-41.6179.2-68.3-72.5-69.100111.2F227 L228 A233 A234 E235 R240 E241F227-M237 HydrophobicContact CD2-CE 4.22Å; L228-M237 HydrophobicContact CB-SD 4.39Å; A233-M237 WeakPolarHBondContact O-CB 3.28Å; A233-M237 WeakPolarHBondContact O-CG 3.25Å; A233-M237 PolarHBondContact O-N 3.5Å; A234-M237 PolarHBondContact O-N 3.28Å; A234-M237 VanDerWaalsContact O-N 3.15Å; E235-M237 VanDerWaalsContact C-N 3.33Å; E235-M237 PolarHBondContact O-N 3.5Å; M237-R240 WeakPolarHBondContact O-CB 3.45Å; M237-R240 PolarHBondContact O-N 3.29Å; M237-R240 PolarHBondContact SD-NH2 2.99Å; M237-E241 WeakPolarHBondContact O-CG 3.46Å; M237-E241 PolarHBondContact O-N 2.95Å
238E85.5Confident87.1Confident131 Ų13183.5 Ų83.561%0.61240%0.4SS*.Hα-helixtrans-61.4-46.2174.2-72.7178.4-173.100112.1A234 E235 R240 E241 A242A234-E238 WeakPolarHBondContact O-CG 3.35Å; A234-E238 PolarHBondContact O-N 3.15Å; E235-E238 PolarHBondContact O-N 2.91Å; E238-R240 VanDerWaalsContact C-N 3.27Å; E238-R240 PolarHBondContact O-N 3.44Å; E238-E241 PolarHBondContact O-N 3.49Å; E238-A242 WeakPolarHBondContact O-CB 3.48Å; E238-A242 PolarHBondContact O-N 2.9Å
239I85.8Confident87.1Confident120 Ų12088.4 Ų88.462%0.61542%0.421SS*.Hα-helixtrans-59.9-41.1175.6-68.6166000110.5E235 R243E235-I239 VanDerWaalsContact O-CG1 3.26Å; E235-I239 WeakPolarHBondContact O-CG1 3.36Å; E235-I239 PolarHBondContact O-N 2.96Å; I239-R243 WeakPolarHBondContact O-CB 3.41Å; I239-R243 PolarHBondContact O-N 2.92Å
240R86.5Confident87.1Confident44 Ų4488.3 Ų88.317%0.16643%0.425CS..Hα-helixtrans-64.6-46.1178.3-173.4179.477.2170.48.2111.5G223 E224 V226 F236 M237 E238 R243 K244G223-R240 PolarHBondContact O-NH1 3.27Å; E224-R240 PolarHBondContact O-NH1 3.18Å; E224-R240 VanDerWaalsContact O-NH1 3.13Å; E224-R240 PolarHBondContact O-NH2 3.5Å; V226-R240 PolarHBondContact O-NH1 2.91Å; V226-R240 PolarHBondContact O-NH2 3.34Å; F236-R240 WeakPolarHBondContact O-CB 3.37Å; F236-R240 PolarHBondContact O-N 3.28Å; M237-R240 WeakPolarHBondContact O-CB 3.45Å; M237-R240 PolarHBondContact O-N 3.29Å; M237-R240 PolarHBondContact SD-NH2 2.99Å; E238-R240 VanDerWaalsContact C-N 3.27Å; E238-R240 PolarHBondContact O-N 3.44Å; R240-R243 PolarHBondContact O-N 3.24Å; R240-K244 PolarHBondContact O-N 3.44Å
241E86.7Confident87.3Confident116 Ų11690.2 Ų90.254%0.54244%0.44SS..Hα-helixtrans-63.4-45.4177.8-75.1176.1-174.600111.6M237 E238 R243 K244 E245M237-E241 WeakPolarHBondContact O-CG 3.46Å; M237-E241 PolarHBondContact O-N 2.95Å; E238-E241 PolarHBondContact O-N 3.49Å; E241-R243 VanDerWaalsContact C-N 3.26Å; E241-R243 PolarHBondContact O-N 2.99Å; E241-K244 PolarHBondContact O-N 3.43Å; E241-K244 VanDerWaalsContact O-N 3.12Å; E241-E245 WeakPolarHBondContact O-CB 3.46Å; E241-E245 PolarHBondContact O-N 3.41Å
242A88.6Confident87.8Confident47 Ų4790 Ų9039%0.38844%0.439SS..Hα-helixtrans-59.2-37.9174.800000112.2E238 R246E238-A242 WeakPolarHBondContact O-CB 3.48Å; E238-A242 PolarHBondContact O-N 2.9Å; A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.47Å; A242-R246 PolarHBondContact O-N 3.28Å
243R88.4Confident88.4Confident156 Ų15694.7 Ų94.759%0.58945%0.451SS*.Hα-helixtrans-68.6-41.4175-172.5-178.5-176.4179.34.7112.3I239 R240 E241 E245 R246 R247I239-R243 WeakPolarHBondContact O-CB 3.41Å; I239-R243 PolarHBondContact O-N 2.92Å; R240-R243 PolarHBondContact O-N 3.24Å; E241-R243 VanDerWaalsContact C-N 3.26Å; E241-R243 PolarHBondContact O-N 2.99Å; R243-E245 VanDerWaalsContact C-N 3.32Å; R243-R246 PolarHBondContact O-N 3.39Å; R243-R247 VanDerWaalsContact NH2-NH2 3.2Å; R243-R247 WeakPolarHBondContact O-CG 3.34Å; R243-R247 PolarHBondContact O-N 2.89Å; R243-R247 VanDerWaalsContact O-N 3.08Å
244K87.4Confident89Confident69 Ų69100.5 Ų100.530%0.348%0.478SS..Hα-helixtrans-61.5-43.8175.1-75.9-172.6-179.5-173.60110.4E224 D225 R240 E241 R247 R248E224-K244 PolarHBondContact O-NZ 3.08Å; D225-K244 IonicContact OD1-NZ 3.51Å; R240-K244 PolarHBondContact O-N 3.44Å; E241-K244 PolarHBondContact O-N 3.43Å; E241-K244 VanDerWaalsContact O-N 3.12Å; K244-R247 PolarHBondContact O-N 2.93Å; K244-R248 PolarHBondContact O-N 2.89Å
245E90.1Very high89.5Confident64 Ų6499.8 Ų99.830%0.29947%0.473SS..Hα-helixtrans-62.4-45.7178.4-174.558-156.900112.2E241 R243 R247 R248 K249E241-E245 WeakPolarHBondContact O-CB 3.46Å; E241-E245 PolarHBondContact O-N 3.41Å; R243-E245 VanDerWaalsContact C-N 3.32Å; E245-R247 VanDerWaalsContact C-N 3.3Å; E245-R247 PolarHBondContact O-N 3.03Å; E245-R248 PolarHBondContact O-N 3.13Å; E245-R248 IonicContact OE1-CZ 3.48Å; E245-R248 IonicContact OE1-NE 3.82Å; E245-R248 IonicContact OE1-NH2 2.76Å; E245-R248 PolarHBondContact OE1-NH2 2.83Å; E245-R248 IonicContact OE2-CZ 2.64Å; E245-R248 IonicContact OE2-NE 3.98Å; E245-R248 PolarHBondContact OE2-NE 3.04Å; E245-R248 IonicContact OE2-NH2 3.89Å; E245-R248 PolarHBondContact OE2-NH2 2.96Å; E245-K249 WeakPolarHBondContact O-CG 3.32Å; E245-K249 PolarHBondContact O-N 2.79Å; E245-K249 WeakPolarHBondContact OE1-CE 3.29Å
246R91.7Very high90Very high193 Ų19398.7 Ų98.773%0.72847%0.467SS*.Hα-helixtrans-60.1-40.5175.6-73.5176.4-170.3-177.53.8112.4A242 R243 A250A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.47Å; A242-R246 PolarHBondContact O-N 3.28Å; R243-R246 PolarHBondContact O-N 3.39Å; R246-A250 WeakPolarHBondContact O-CB 3.42Å; R246-A250 PolarHBondContact O-N 3.25Å
247R90.3Very high90.5Very high126 Ų126101.4 Ų101.448%0.47548%0.481SS..Hα-helixtrans-66.7-40.6176.4-76.1173.6167.7-175.4-8.3112R243 K244 E245 A250 A251R243-R247 VanDerWaalsContact NH2-NH2 3.2Å; R243-R247 WeakPolarHBondContact O-CG 3.34Å; R243-R247 PolarHBondContact O-N 2.89Å; R243-R247 VanDerWaalsContact O-N 3.08Å; K244-R247 PolarHBondContact O-N 2.93Å; E245-R247 VanDerWaalsContact C-N 3.3Å; E245-R247 PolarHBondContact O-N 3.03Å; R247-A250 PolarHBondContact O-N 3.11Å; R247-A251 WeakPolarHBondContact O-CB 3.4Å; R247-A251 PolarHBondContact O-N 3.12Å
248R91.1Very high91Very high151 Ų151105.2 Ų105.257%0.5750%0.501SS*.Hα-helixtrans-61.2-48.3176.4-174.7179.169.2167.93.8110.8K244 E245 A251 E252K244-R248 PolarHBondContact O-N 2.89Å; E245-R248 PolarHBondContact O-N 3.13Å; E245-R248 IonicContact OE1-CZ 3.48Å; E245-R248 IonicContact OE1-NE 3.82Å; E245-R248 IonicContact OE1-NH2 2.76Å; E245-R248 PolarHBondContact OE1-NH2 2.83Å; E245-R248 IonicContact OE2-CZ 2.64Å; E245-R248 IonicContact OE2-NE 3.98Å; E245-R248 PolarHBondContact OE2-NE 3.04Å; E245-R248 IonicContact OE2-NH2 3.89Å; E245-R248 PolarHBondContact OE2-NH2 2.96Å; R248-A251 PolarHBondContact O-N 3.26Å; R248-E252 WeakPolarHBondContact O-CB 3.42Å; R248-E252 PolarHBondContact O-N 3.11Å
249K92.9Very high91.4Very high110 Ų110101.7 Ų101.748%0.47849%0.494SS..Hα-helixtrans-59.5-46.7176.3-70.6-177.4177.9-171.30112.3E245 A251 E252 E253E245-K249 WeakPolarHBondContact O-CG 3.32Å; E245-K249 PolarHBondContact O-N 2.79Å; E245-K249 WeakPolarHBondContact OE1-CE 3.29Å; K249-A251 VanDerWaalsContact C-N 3.35Å; K249-A251 PolarHBondContact O-N 3.33Å; K249-E252 PolarHBondContact O-N 3.07Å; K249-E253 WeakPolarHBondContact O-CG 3.44Å; K249-E253 PolarHBondContact O-N 3.22Å
250A92.8Very high91.7Very high50 Ų50100.9 Ų100.941%0.41349%0.488SS..Hα-helixtrans-62.4-40177.600000112.8R246 R247 E253 E254R246-A250 WeakPolarHBondContact O-CB 3.42Å; R246-A250 PolarHBondContact O-N 3.25Å; R247-A250 PolarHBondContact O-N 3.11Å; A250-E253 PolarHBondContact O-N 3.12Å; A250-E254 WeakPolarHBondContact O-CB 3.16Å; A250-E254 PolarHBondContact O-N 3.37Å
251A92.8Very high92Very high56 Ų56103.5 Ų103.546%0.46350%0.502SS..Hα-helixtrans-69.9-32.4176.800000112.7R247 R248 K249 A255R247-A251 WeakPolarHBondContact O-CB 3.4Å; R247-A251 PolarHBondContact O-N 3.12Å; R248-A251 PolarHBondContact O-N 3.26Å; K249-A251 VanDerWaalsContact C-N 3.35Å; K249-A251 PolarHBondContact O-N 3.33Å; A251-A255 VanDerWaalsContact O-CB 3.25Å; A251-A255 WeakPolarHBondContact O-CB 2.81Å; A251-A255 PolarHBondContact O-N 2.94Å
252E94.1Very high92.3Very high127 Ų127102.8 Ų102.859%0.59350%0.502SS*.Hα-helixtrans-69.1-44.2173.7-172.9173.1-171.300111.1R248 K249 A255 E256R248-E252 WeakPolarHBondContact O-CB 3.42Å; R248-E252 PolarHBondContact O-N 3.11Å; K249-E252 PolarHBondContact O-N 3.07Å; E252-A255 PolarHBondContact O-N 2.73Å; E252-E256 WeakPolarHBondContact O-CB 3.49Å; E252-E256 PolarHBondContact O-N 3.27Å
253E94.6Very high92.3Very high131 Ų131103.3 Ų103.361%0.61251%0.506SS*.Hα-helixtrans-59.9-46.8173.6-72.9169.1-172.400111.6K249 A250 A255 E256 E257K249-E253 WeakPolarHBondContact O-CG 3.44Å; K249-E253 PolarHBondContact O-N 3.22Å; A250-E253 PolarHBondContact O-N 3.12Å; E253-A255 PolarHBondContact O-N 2.96Å; E253-E256 PolarHBondContact O-N 2.94Å; E253-E257 PolarHBondContact O-N 3.32Å
254E95.6Very high92.3Very high125 Ų125101.3 Ų101.358%0.58450%0.503SS*.Hα-helixtrans-63.3-41.1176.9-174.9179.4-179.100111.9A250 E256 E257 L258A250-E254 WeakPolarHBondContact O-CB 3.16Å; A250-E254 PolarHBondContact O-N 3.37Å; E254-E256 VanDerWaalsContact C-N 3.34Å; E254-E257 PolarHBondContact O-N 3.17Å; E254-L258 HydrophobicContact CG-CD1 4.33Å; E254-L258 WeakPolarHBondContact O-CB 3.37Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.49Å; E254-L258 PolarHBondContact O-N 3.27Å
255A93.2Very high92.2Very high56 Ų56104.1 Ų104.146%0.46352%0.517SS..Hα-helixtrans-66.8-36176.500000112.4A251 E252 E253 A259A251-A255 VanDerWaalsContact O-CB 3.25Å; A251-A255 WeakPolarHBondContact O-CB 2.81Å; A251-A255 PolarHBondContact O-N 2.94Å; E252-A255 PolarHBondContact O-N 2.73Å; E253-A255 PolarHBondContact O-N 2.96Å; A255-A259 VanDerWaalsContact O-CB 3.28Å; A255-A259 WeakPolarHBondContact O-CB 3.35Å; A255-A259 PolarHBondContact O-N 3.46Å
256E94.6Very high91.9Very high116 Ų116106.9 Ų106.954%0.54253%0.534SS..Hα-helixtrans-67.8-43175.4-169.1177.3177.400111.4E252 E253 E254 A259 Q260E252-E256 WeakPolarHBondContact O-CB 3.49Å; E252-E256 PolarHBondContact O-N 3.27Å; E253-E256 PolarHBondContact O-N 2.94Å; E254-E256 VanDerWaalsContact C-N 3.34Å; E256-A259 PolarHBondContact O-N 3Å; E256-Q260 WeakPolarHBondContact O-CG 3.48Å; E256-Q260 PolarHBondContact O-N 3.12Å; E256-Q260 PolarHBondContact OE1-NE2 2.98Å
257E94.3Very high91.3Very high122 Ų122101.6 Ų101.657%0.5753%0.531SS*.Hα-helixtrans-60.3-49.6175.9-171171.5-163.900111.2E253 E254 A259 Q260 E261E253-E257 PolarHBondContact O-N 3.32Å; E254-E257 PolarHBondContact O-N 3.17Å; E257-A259 VanDerWaalsContact C-N 3.3Å; E257-A259 PolarHBondContact O-N 3.22Å; E257-Q260 PolarHBondContact O-N 2.85Å; E257-Q260 VanDerWaalsContact O-N 3.15Å; E257-E261 WeakPolarHBondContact O-CG 3.34Å; E257-E261 PolarHBondContact O-N 3.06Å
258L95.3Very high90.6Very high99 Ų99103.3 Ų103.352%0.51854%0.544SS..Hα-helixtrans-60.8-37.1176-71.3171.5000112.7E254 L262E254-L258 HydrophobicContact CG-CD1 4.33Å; E254-L258 WeakPolarHBondContact O-CB 3.37Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.49Å; E254-L258 PolarHBondContact O-N 3.27Å; L258-L262 WeakPolarHBondContact O-CB 3.47Å; L258-L262 PolarHBondContact O-N 2.97Å
259A92.1Very high89.5Confident57 Ų5799.3 Ų99.347%0.47154%0.544SS..Hα-helixtrans-68.7-38.2176.700000112A255 E256 E257 A263A255-A259 VanDerWaalsContact O-CB 3.28Å; A255-A259 WeakPolarHBondContact O-CB 3.35Å; A255-A259 PolarHBondContact O-N 3.46Å; E256-A259 PolarHBondContact O-N 3Å; E257-A259 VanDerWaalsContact C-N 3.3Å; E257-A259 PolarHBondContact O-N 3.22Å; A259-A263 VanDerWaalsContact O-CB 3.3Å; A259-A263 WeakPolarHBondContact O-CB 3.37Å; A259-A263 PolarHBondContact O-N 3.16Å
260Q92.7Very high87.7Confident104 Ų10497.2 Ų97.249%0.48655%0.553SS.*Hα-helixtrans-66.6-42.7174.9-72178.51800111.5E256 E257 A263 Q264E256-Q260 WeakPolarHBondContact O-CG 3.48Å; E256-Q260 PolarHBondContact O-N 3.12Å; E256-Q260 PolarHBondContact OE1-NE2 2.98Å; E257-Q260 PolarHBondContact O-N 2.85Å; E257-Q260 VanDerWaalsContact O-N 3.15Å; Q260-A263 PolarHBondContact O-N 3.3Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.43Å
261E92.1Very high85.7Confident99 Ų99103.8 Ų103.846%0.46358%0.575SS.*Hα-helixtrans-60.6-49.4174.9-72.6-175.8160.700111.4E257 A263 Q264 E265E257-E261 WeakPolarHBondContact O-CG 3.34Å; E257-E261 PolarHBondContact O-N 3.06Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 3.04Å; E261-Q264 WeakPolarHBondContact O-CB 3.31Å; E261-Q264 PolarHBondContact O-N 3.49Å; E261-Q264 VanDerWaalsContact O-N 3.11Å; E261-E265 PolarHBondContact O-N 2.89Å
262L93Very high83.5Confident101 Ų101109.1 Ų109.153%0.52959%0.591SS.*Hα-helixtrans-60.6-39.8177.1-175.667.6000112.1L258 Q264 E265 L266L258-L262 WeakPolarHBondContact O-CB 3.47Å; L258-L262 PolarHBondContact O-N 2.97Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-E265 PolarHBondContact O-N 3.39Å; L262-L266 HydrophobicContact CG-CD1 4.32Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 WeakPolarHBondContact O-CG 3.35Å; L262-L266 PolarHBondContact O-N 2.95Å
263A89.3Confident81.2Confident57 Ų57108.5 Ų108.547%0.47160%0.597SS.*Hα-helixtrans-65.2-37.817600000112.1A259 Q260 E261 A267A259-A263 VanDerWaalsContact O-CB 3.3Å; A259-A263 WeakPolarHBondContact O-CB 3.37Å; A259-A263 PolarHBondContact O-N 3.16Å; Q260-A263 PolarHBondContact O-N 3.3Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 3.04Å; A263-A267 WeakPolarHBondContact O-CB 3.3Å; A263-A267 PolarHBondContact O-N 2.97Å
264Q88.1Confident79Confident115 Ų115107.8 Ų107.854%0.53760%0.602SS.*Hα-helixtrans-67.4-41.9174.2-73.3179.221.700111.8Q260 E261 L262 A267 Q268Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.43Å; E261-Q264 WeakPolarHBondContact O-CB 3.31Å; E261-Q264 PolarHBondContact O-N 3.49Å; E261-Q264 VanDerWaalsContact O-N 3.11Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; Q264-A267 PolarHBondContact O-N 3.35Å; Q264-Q268 VanDerWaalsContact O-CG 3.32Å; Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.35Å
265E85.9Confident76.8Confident128 Ų128109 Ų10960%0.59861%0.611SS**Hα-helixtrans-62.3-44.9175.9-73.4-172.5164.500111.9E261 L262 A267 Q268 A269E261-E265 PolarHBondContact O-N 2.89Å; L262-E265 PolarHBondContact O-N 3.39Å; E265-A267 VanDerWaalsContact C-N 3.31Å; E265-A267 PolarHBondContact O-N 2.97Å; E265-Q268 PolarHBondContact O-N 2.92Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; E265-A269 VanDerWaalsContact O-CB 3.31Å; E265-A269 WeakPolarHBondContact O-CB 3.31Å; E265-A269 PolarHBondContact O-N 3Å
266L83.3Confident74.4Confident122 Ų122114.3 Ų114.364%0.63963%0.626SS**Hα-helixtrans-63.6-36.2175.7-72.5171.8000112.5L262 Q268 A269L262-L266 HydrophobicContact CG-CD1 4.32Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 WeakPolarHBondContact O-CG 3.35Å; L262-L266 PolarHBondContact O-N 2.95Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; L266-A269 PolarHBondContact O-N 3.11Å
267A79.8Confident71.8Confident81 Ų81112 Ų11267%0.66963%0.633SS**Hα-helixtrans-68.5-32.3174.600000112.4A263 Q264 E265A263-A267 WeakPolarHBondContact O-CB 3.3Å; A263-A267 PolarHBondContact O-N 2.97Å; Q264-A267 PolarHBondContact O-N 3.35Å; E265-A267 VanDerWaalsContact C-N 3.31Å; E265-A267 PolarHBondContact O-N 2.97Å
268Q75Confident69.4Low162 Ų162114 Ų11476%0.75765%0.646SS**Hα-helixtrans-79.1-30.3175.6-70.8176.92900112.7Q264 E265 L266 G270Q264-Q268 VanDerWaalsContact O-CG 3.32Å; Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.35Å; E265-Q268 PolarHBondContact O-N 2.92Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; Q268-G270 PolarHBondContact O-N 3.33Å; Q268-G270 VanDerWaalsContact O-N 3.12Å
269A67.9Low66.9Low68 Ų68117.3 Ų117.356%0.56266%0.663SS**THydrogen-bonded Turntrans-79.925.1177.600000113.8E265 L266 E271E265-A269 VanDerWaalsContact O-CB 3.31Å; E265-A269 WeakPolarHBondContact O-CB 3.31Å; E265-A269 PolarHBondContact O-N 3Å; L266-A269 PolarHBondContact O-N 3.11Å; A269-E271 VanDerWaalsContact C-N 3.3Å; A269-E271 PolarHBondContact O-N 3.26Å
270G55.7Low64.6Low65 Ų65124 Ų12467%0.6768%0.681SS**  trans-58.285.2177.500000113Q268Q268-G270 PolarHBondContact O-N 3.33Å; Q268-G270 VanDerWaalsContact O-N 3.12Å
271E49.5Very low62Low188 Ų188126.9 Ų126.988%0.87970%0.7SS**  trans-75.5116.1156-76.8-172158.800108.2A269A269-E271 VanDerWaalsContact C-N 3.3Å; A269-E271 PolarHBondContact O-N 3.26Å
272E46.5Very low59.8Low169 Ų169127.4 Ų127.479%0.7972%0.715SS**  trans-58.6139.4174.8-67.9-178.3152.900111.3V274E272-V274 PolarHBondContact O-N 3Å
273P47.8Very low57.2Low113 Ų113127.9 Ų127.973%0.73473%0.727SS**  trans-68.2109.4164.528.5-30.3000108.1I275P273-I275 VanDerWaalsContact C-N 3.33Å; P273-I275 PolarHBondContact O-N 3.02Å
274V47.2Very low54.9Low117 Ų117130.6 Ų130.671%0.70974%0.742SS**  trans-64.293.8172.3-179.80000108.7E272 H276E272-V274 PolarHBondContact O-N 3Å; V274-H276 PolarHBondContact O-N 3.3Å; V274-H276 VanDerWaalsContact O-N 3.12Å
275I49.3Very low52.9Low149 Ų149134.7 Ų134.776%0.76476%0.758SS**  trans-7497.5168.7-58.5177.3000107.2P273 G277P273-I275 VanDerWaalsContact C-N 3.33Å; P273-I275 PolarHBondContact O-N 3.02Å; I275-G277 PolarHBondContact O-N 3.47Å
276H43.7Very low51.4Low168 Ų168134.1 Ų134.178%0.77877%0.766SS**  trans-6898.6163.4-91.7-69.6000109.1V274 I278V274-H276 PolarHBondContact O-N 3.3Å; V274-H276 VanDerWaalsContact O-N 3.12Å; H276-I278 PolarHBondContact O-N 2.78Å
277G39.1Very low49.6Very low67 Ų67132.3 Ų132.369%0.69177%0.769SS**  trans-64.4112.1173.500000111.6I275 L279I275-G277 PolarHBondContact O-N 3.47Å; G277-L279 PolarHBondContact O-N 2.73Å
278I45.3Very low47.7Very low166 Ų166134.2 Ų134.285%0.85177%0.772SS**  trans-83.8107.9164.6-60.2176000107.3H276 K280H276-I278 PolarHBondContact O-N 2.78Å; I278-K280 PolarHBondContact O-N 3.12Å
279L41.1Very low46.1Very low168 Ų168133.9 Ų133.988%0.8878%0.775SS**  trans-54.3119.9170.5-84148.7000110.6G277 N281G277-L279 PolarHBondContact O-N 2.73Å; L279-N281 PolarHBondContact O-N 2.83Å
280K44.2Very low44.7Very low196 Ų196143.5 Ų143.585%0.85281%0.809SS**  trans-66.6124.6158.8-84.7178174.4173.70108.4I278I278-K280 PolarHBondContact O-N 3.12Å
281N37.8Very low44.2Very low165 Ų165147.5 Ų147.588%0.88282%0.816SS**  trans-123.3116.3147.8-120-1.3000108.4L279L279-N281 PolarHBondContact O-N 2.83Å
282S45.8Very low43.9Very low111 Ų111145.3 Ų145.378%0.77681%0.812SS**  trans-83.6131.2176.9480000110.5
283S39.5Very low43.8Very low111 Ų111144 Ų14478%0.77681%0.814SS**  trans-161.1122.4148.351.20000111.8
284S41.4Very low43.5Very low114 Ų114145.8 Ų145.880%0.79782%0.818SS**  trans65.4104.9148.259.40000121
285K44.3Very low43.3Very low201 Ų201147.6 Ų147.687%0.87483%0.825SS**  trans-57.6165.7137.1-94.9-175.8179-177.50110.4
286P55Low42.9Very low115 Ų115147.5 Ų147.575%0.74783%0.829SS**  cis-146.9169.832.937-14.6000118.7
287A45.2Very low42.8Very low85 Ų85146.1 Ų146.170%0.70283%0.833SS**  trans53.8136.8140.700000123.1
288T40.1Very low43.1Very low120 Ų120152.2 Ų152.274%0.73684%0.844SS**  trans142.3108.1132.752.50000108.5
289D41.8Very low42.9Very low156 Ų156151 Ų15183%0.83484%0.843SS**  96138.688-84-23.4000111.6
290E38.9Very low43.1Very low270 Ų270149.5 Ų149.5100%1.26284%0.84SS**  trans76.30176.8-63.1-171.5162.500119.7

Retrieved 290 of 290 residues in 99.7 ms (Link to these results)

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