A0A077ZLB9_TRITR Loading...

Aminotran 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M94.2Very high97.3Very high159 Ų15935.5 Ų35.578%0.78321%0.207SC*.  0132.10172.6176.78100107Q315 F317M1-Q315 CarbonylContact C-O 3.58Å; M1-Q315 VanDerWaalsContact CA-O 3.25Å; M1-Q315 WeakPolarHBondContact CA-O 3.41Å; M1-F317 HydrophobicContact CG-CD2 3.81Å; M1-F317 HydrophobicContact CG-CE2 3.68Å; M1-F317 HydrophobicContact SD-CD2 4.16Å; M1-F317 HydrophobicContact SD-CE2 3.87Å
2I98.1Very high97.4Very high5 Ų536.8 Ų36.83%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-114.2123.2172.4-60.7173.6000106.8F4 Q315 I316 F317 E361 Q364I2-F4 HydrophobicContact CG2-CD1 3.77Å; I2-F4 HydrophobicContact CG2-CD2 3.85Å; I2-F4 HydrophobicContact CG2-CE1 3.43Å; I2-F4 VanDerWaalsContact CG2-CE1 3.43Å; I2-F4 HydrophobicContact CG2-CE2 3.55Å; I2-F4 HydrophobicContact CG2-CG 3.95Å; I2-F4 HydrophobicContact CG2-CZ 3.32Å; I2-Q315 PolarHBondContact N-O 3.1Å; I2-I316 HydrophobicContact CB-CG1 4.17Å; I2-I316 HydrophobicContact CB-CG2 4.36Å; I2-I316 HydrophobicContact CD1-CD1 4.11Å; I2-I316 HydrophobicContact CD1-CG1 4.15Å; I2-I316 HydrophobicContact CG2-CG2 4.42Å; I2-I316 WeakPolarHBondContact O-CA 2.89Å; I2-F317 PolarHBondContact O-N 2.85Å; I2-E361 HydrophobicContact CD1-CB 4.37Å; I2-E361 WeakPolarHBondContact CD1-O 3.5Å; I2-E361 HydrophobicContact CG1-CB 4.26Å; I2-E361 HydrophobicContact CG1-CG 4.21Å; I2-E361 HydrophobicContact CG2-CB 4.11Å; I2-Q364 HydrophobicContact CD1-CB 4.02Å; I2-Q364 HydrophobicContact CD1-CG 3.96Å
3Y98.3Very high97.4Very high61 Ų6135.8 Ų35.824%0.23920%0.202CC..EExtended strand (participates in β ladder)trans-112.7107.6-178.2-172.8-97.1000110.5D5 N6 T9 F317 N357Y3-D5 HydrophobicContact CE1-CB 4.38Å; Y3-D5 HydrophobicContact CE2-CB 4.07Å; Y3-D5 PolarHBondContact OH-O 3.41Å; Y3-D5 VanDerWaalsContact OH-O 3.09Å; Y3-N6 WeakPolarHBondContact CE1-OD1 3.44Å; Y3-N6 PolarHBondContact O-ND2 3.45Å; Y3-T9 WeakPolarHBondContact CE1-O 3.38Å; Y3-T9 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T9 PolarHBondContact OH-O 2.92Å; Y3-F317 HydrophobicContact CD2-CB 3.85Å; Y3-F317 HydrophobicContact CD2-CG 4.46Å; Y3-F317 HydrophobicContact CE2-CB 4.32Å; Y3-N357 PolarHBondContact O-ND2 2.9Å
4F98.3Very high97.5Very high0 Ų040.7 Ų40.70%024%0.236CC..  trans-118.931.9-178.3-71.9-14000111.1I2 F317 V318 V351 S352 L353 N357 E361 F365I2-F4 HydrophobicContact CG2-CD1 3.77Å; I2-F4 HydrophobicContact CG2-CD2 3.85Å; I2-F4 HydrophobicContact CG2-CE1 3.43Å; I2-F4 VanDerWaalsContact CG2-CE1 3.43Å; I2-F4 HydrophobicContact CG2-CE2 3.55Å; I2-F4 HydrophobicContact CG2-CG 3.95Å; I2-F4 HydrophobicContact CG2-CZ 3.32Å; F4-F317 CarbonylContact C-O 3.51Å; F4-F317 VanDerWaalsContact C-O 3.31Å; F4-F317 WeakPolarHBondContact CA-O 3.36Å; F4-F317 WeakPolarHBondContact CB-O 3.25Å; F4-F317 PolarHBondContact N-O 3.48Å; F4-V318 HydrophobicContact CB-CG1 3.77Å; F4-V318 HydrophobicContact CD2-CG1 4.5Å; F4-V351 HydrophobicContact CB-CG1 4.01Å; F4-V351 HydrophobicContact CB-CG2 4.41Å; F4-V351 HydrophobicContact CD2-CG1 4.06Å; F4-V351 HydrophobicContact CD2-CG2 4.22Å; F4-V351 HydrophobicContact CG-CG1 4.05Å; F4-S352 CarbonylContact C-O 3.38Å; F4-S352 WeakPolarHBondContact CA-O 3.39Å; F4-S352 PolarHBondContact O-N 3.45Å; F4-S352 PolarHBondContact O-OG 3.32Å; F4-S352 VanDerWaalsContact O-OG 3.12Å; F4-L353 HydrophobicContact CD1-CD2 3.64Å; F4-L353 HydrophobicContact CE1-CD2 3.74Å; F4-L353 HydrophobicContact CG-CD2 4.25Å; F4-L353 HydrophobicContact CZ-CD2 4.39Å; F4-N357 HydrophobicContact CE1-CB 4.34Å; F4-E361 HydrophobicContact CE1-CB 4.34Å; F4-E361 HydrophobicContact CZ-CB 4.13Å; F4-F365 HydrophobicContact CD2-CD2 4.2Å; F4-F365 HydrophobicContact CD2-CG 4.37Å; F4-F365 HydrophobicContact CE2-CB 3.7Å; F4-F365 HydrophobicContact CE2-CD1 4.42Å; F4-F365 HydrophobicContact CE2-CD2 4.05Å; F4-F365 AromaticContact CE2-CG 3.8Å; F4-F365 HydrophobicContact CE2-CG 3.8Å; F4-F365 HydrophobicContact CZ-CB 4.43Å
5D97.7Very high97.5Very high26 Ų2640.5 Ų40.514%0.13924%0.238CC..BIsolated β-bridgetrans-119.836.3177.5-162.422.3000113.4Y3 S7 A8 T9 F317 S319 R350 S352Y3-D5 HydrophobicContact CE1-CB 4.38Å; Y3-D5 HydrophobicContact CE2-CB 4.07Å; Y3-D5 PolarHBondContact OH-O 3.41Å; Y3-D5 VanDerWaalsContact OH-O 3.09Å; D5-S7 PolarHBondContact O-N 3.34Å; D5-A8 VanDerWaalsContact CG-CB 3.44Å; D5-A8 WeakPolarHBondContact O-CB 3.31Å; D5-A8 PolarHBondContact O-N 3.49Å; D5-A8 VanDerWaalsContact OD1-CB 3.31Å; D5-A8 WeakPolarHBondContact OD1-CB 3.4Å; D5-A8 WeakPolarHBondContact OD2-CB 3.5Å; D5-T9 PolarHBondContact O-N 2.9Å; D5-F317 PolarHBondContact N-O 3.48Å; D5-S319 WeakPolarHBondContact OD1-CB 3.5Å; D5-R350 IonicContact OD1-CZ 3.09Å; D5-R350 IonicContact OD1-NE 2.69Å; D5-R350 IonicContact OD1-NH2 3.83Å; D5-R350 PolarHBondContact OD1-NH2 3.09Å; D5-S352 VanDerWaalsContact CA-OG 3.24Å; D5-S352 WeakPolarHBondContact CA-OG 3.14Å
6N97.8Very high97.5Very high4 Ų438 Ų382%0.02122%0.223CC..THydrogen-bonded Turntrans-65.1-22.6-178.5-69.5-64.2000114.3Y3 A8 T9 T10 S352 D354 N357Y3-N6 WeakPolarHBondContact CE1-OD1 3.44Å; Y3-N6 PolarHBondContact O-ND2 3.45Å; N6-A8 VanDerWaalsContact C-N 3.31Å; N6-T9 WeakPolarHBondContact CA-O 3.17Å; N6-T10 HydrophobicContact CB-CG2 3.91Å; N6-T10 WeakPolarHBondContact O-CG2 3.01Å; N6-S352 WeakPolarHBondContact CB-O 3.41Å; N6-S352 PolarHBondContact N-O 3.21Å; N6-S352 PolarHBondContact N-OG 3.49Å; N6-S352 PolarHBondContact ND2-O 2.98Å; N6-D354 HydrophobicContact CB-CB 4.27Å; N6-D354 PolarHBondContact OD1-OD2 3.01Å; N6-N357 PolarHBondContact ND2-OD1 3.44Å
7S96.9Very high97.6Very high1 Ų140.5 Ų40.51%0.00724%0.235CC..THydrogen-bonded Turntrans-74.3-20.3172.5-68.30000112.5D5 Q178 K202 I294 R350 S352D5-S7 PolarHBondContact O-N 3.34Å; S7-Q178 PolarHBondContact O-NE2 2.88Å; S7-K202 PolarHBondContact O-NZ 2.72Å; S7-I294 WeakPolarHBondContact OG-CD1 3.41Å; S7-I294 WeakPolarHBondContact OG-CG1 3.44Å; S7-R350 VanDerWaalsContact CB-CZ 3.5Å; S7-S352 PolarHBondContact N-OG 3.22Å; S7-S352 WeakPolarHBondContact OG-CB 3.41Å
8A96.1Very high97.7Very high35 Ų3541.7 Ų41.729%0.28924%0.24SC..THydrogen-bonded Turntrans-82.6-46.3170.700000111.7D5 N6 H201 K202D5-A8 VanDerWaalsContact CG-CB 3.44Å; D5-A8 WeakPolarHBondContact O-CB 3.31Å; D5-A8 PolarHBondContact O-N 3.49Å; D5-A8 VanDerWaalsContact OD1-CB 3.31Å; D5-A8 WeakPolarHBondContact OD1-CB 3.4Å; D5-A8 WeakPolarHBondContact OD2-CB 3.5Å; N6-A8 VanDerWaalsContact C-N 3.31Å; A8-H201 PolarHBondContact O-CE1 3.39Å; A8-H201 VanDerWaalsContact O-CE1 3.27Å; A8-K202 VanDerWaalsContact C-NZ 3.3Å; A8-K202 PolarHBondContact O-NZ 2.82Å
9T97.6Very high97.7Very high20 Ų2040.3 Ų40.312%0.12323%0.232CC..  trans-166.2152171.3-170.50000108.5Y3 D5 N6 H201 R207Y3-T9 WeakPolarHBondContact CE1-O 3.38Å; Y3-T9 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T9 PolarHBondContact OH-O 2.92Å; D5-T9 PolarHBondContact O-N 2.9Å; N6-T9 WeakPolarHBondContact CA-O 3.17Å; T9-H201 WeakPolarHBondContact CB-ND1 3.48Å; T9-H201 PolarHBondContact OG1-ND1 3.22Å; T9-H201 VanDerWaalsContact OG1-ND1 3.09Å; T9-R207 PolarHBondContact OG1-NE 3.37Å
10T98.2Very high97.7Very high8 Ų842.1 Ų42.15%0.04924%0.236CC..  trans-105.5161.5170.367.60000111.2N6 H201 H204N6-T10 HydrophobicContact CB-CG2 3.91Å; N6-T10 WeakPolarHBondContact O-CG2 3.01Å; T10-H201 PolarHBondContact N-O 2.89Å; T10-H201 PolarHBondContact OG1-O 3.38Å; T10-H204 WeakPolarHBondContact CB-ND1 3.42Å; T10-H204 WeakPolarHBondContact OG1-CA 3.33Å; T10-H204 PolarHBondContact OG1-N 3.45Å; T10-H204 PolarHBondContact OG1-ND1 3.08Å
11A97.3Very high97.8Very high72 Ų7242.9 Ų42.960%0.59524%0.242SC*.PPolyproline II helixtrans-68.5137.4168.800000109.9H204A11-H204 WeakPolarHBondContact O-CA 3.4Å; A11-H204 WeakPolarHBondContact O-CB 3.22Å; A11-H204 PolarHBondContact O-ND1 2.96Å
12I98.1Very high97.9Very high51 Ų5139.4 Ų39.426%0.26222%0.222SC..PPolyproline II helixtrans-63.3137.3175.5-171.1170.3000110A16 L17 H204 P206I12-A16 HydrophobicContact CD1-CB 4.49Å; I12-A16 HydrophobicContact CG1-CB 4.11Å; I12-L17 HydrophobicContact CD1-CB 3.94Å; I12-L17 HydrophobicContact CD1-CD1 4.26Å; I12-L17 HydrophobicContact CG1-CB 4.25Å; I12-L17 HydrophobicContact CG2-CB 4.11Å; I12-L17 HydrophobicContact CG2-CD2 4.32Å; I12-H204 WeakPolarHBondContact CA-O 3.43Å; I12-H204 WeakPolarHBondContact CG1-O 3.33Å; I12-P206 HydrophobicContact CD1-CB 4.03Å
13Y98.2Very high97.9Very high23 Ų2339.7 Ų39.79%0.0922%0.224CC..PPolyproline II helixtrans-62.9134.5173.3-74.6-42.9000110.4S15 A16 L17 H204 L252 H253 K256Y13-S15 PolarHBondContact O-N 3.35Å; Y13-S15 VanDerWaalsContact O-N 3.1Å; Y13-A16 WeakPolarHBondContact O-CA 3.47Å; Y13-A16 WeakPolarHBondContact O-CB 3.34Å; Y13-A16 PolarHBondContact O-N 3.18Å; Y13-L17 PolarHBondContact O-N 3.3Å; Y13-H204 HydrophobicContact CD1-CB 3.86Å; Y13-H204 HydrophobicContact CD2-CB 3.39Å; Y13-H204 HydrophobicContact CE1-CB 3.85Å; Y13-H204 AromaticContact CE1-CD2 3.93Å; Y13-H204 AromaticContact CE1-CG 3.59Å; Y13-H204 AromaticContact CE1-ND1 3.81Å; Y13-H204 HydrophobicContact CE2-CB 3.4Å; Y13-H204 VanDerWaalsContact CE2-CB 3.4Å; Y13-H204 AromaticContact CE2-CD2 3.75Å; Y13-H204 AromaticContact CE2-CG 3.69Å; Y13-H204 HydrophobicContact CG-CB 3.62Å; Y13-H204 AromaticContact CZ-CD2 3.33Å; Y13-H204 AromaticContact CZ-CG 3.38Å; Y13-H204 AromaticContact CZ-NE2 3.98Å; Y13-H204 PolarHBondContact N-O 2.86Å; Y13-H204 PolarHBondContact OH-CD2 3.04Å; Y13-L252 HydrophobicContact CD2-CB 3.74Å; Y13-L252 HydrophobicContact CD2-CD1 4Å; Y13-L252 HydrophobicContact CE2-CB 3.79Å; Y13-L252 HydrophobicContact CG-CD1 4.43Å; Y13-H253 HydrophobicContact CE2-CB 4.17Å; Y13-K256 HydrophobicContact CE1-CD 3.86Å; Y13-K256 HydrophobicContact CE2-CD 4.3Å; Y13-K256 WeakPolarHBondContact OH-CD 3.39Å
14P98.1Very high97.8Very high105 Ų10539.7 Ų39.768%0.68223%0.233SC*.Hα-helixtrans-53.3-37179.6-29.735.5000113.3L17 D18P14-L17 PolarHBondContact O-N 3.33Å; P14-D18 WeakPolarHBondContact O-CB 3.47Å; P14-D18 PolarHBondContact O-N 2.93Å
15S97.6Very high97.8Very high38 Ų3846.1 Ų46.127%0.26626%0.263SS..Hα-helixtrans-75.5-27.5178.259.70000113.7Y13 T19 R248 L252Y13-S15 PolarHBondContact O-N 3.35Å; Y13-S15 VanDerWaalsContact O-N 3.1Å; S15-T19 WeakPolarHBondContact O-CB 3.49Å; S15-T19 PolarHBondContact O-N 3.25Å; S15-T19 VanDerWaalsContact O-N 3.15Å; S15-T19 PolarHBondContact O-OG1 2.67Å; S15-R248 WeakPolarHBondContact O-CD 3.38Å; S15-R248 PolarHBondContact O-NE 3.42Å; S15-L252 WeakPolarHBondContact OG-CD1 3.35Å
16A98.3Very high97.7Very high0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-71.8-40.816900000111I12 Y13 T19 Y20 A245 A249I12-A16 HydrophobicContact CD1-CB 4.49Å; I12-A16 HydrophobicContact CG1-CB 4.11Å; Y13-A16 WeakPolarHBondContact O-CA 3.47Å; Y13-A16 WeakPolarHBondContact O-CB 3.34Å; Y13-A16 PolarHBondContact O-N 3.18Å; A16-T19 WeakPolarHBondContact O-CB 3.4Å; A16-T19 PolarHBondContact O-N 3.06Å; A16-Y20 PolarHBondContact O-N 3.25Å; A16-A245 WeakPolarHBondContact O-CB 3.07Å; A16-A249 HydrophobicContact CB-CB 3.91Å
17L98.5Very high97.6Very high80 Ų8055.5 Ų55.542%0.41930%0.299SS..Hα-helixtrans-62.9-45.7173.6-179.960.5000112I12 Y13 P14 T19 Y20 V21I12-L17 HydrophobicContact CD1-CB 3.94Å; I12-L17 HydrophobicContact CD1-CD1 4.26Å; I12-L17 HydrophobicContact CG1-CB 4.25Å; I12-L17 HydrophobicContact CG2-CB 4.11Å; I12-L17 HydrophobicContact CG2-CD2 4.32Å; Y13-L17 PolarHBondContact O-N 3.3Å; P14-L17 PolarHBondContact O-N 3.33Å; L17-T19 PolarHBondContact O-N 3.12Å; L17-Y20 VanDerWaalsContact O-CB 3.3Å; L17-Y20 WeakPolarHBondContact O-CB 3.34Å; L17-Y20 PolarHBondContact O-N 2.87Å; L17-Y20 VanDerWaalsContact O-N 3.09Å; L17-V21 HydrophobicContact CD1-CG2 4.43Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 3.4Å
18D98.6Very high97.4Very high62 Ų6263 Ų6333%0.33234%0.335SS..Hα-helixtrans-57.4-39174.1172.573.5000111.5P14 V21 K22P14-D18 WeakPolarHBondContact O-CB 3.47Å; P14-D18 PolarHBondContact O-N 2.93Å; D18-V21 PolarHBondContact O-N 3.23Å; D18-K22 WeakPolarHBondContact O-CB 3.36Å; D18-K22 VanDerWaalsContact O-CG 3.31Å; D18-K22 WeakPolarHBondContact O-CG 3.43Å; D18-K22 PolarHBondContact O-N 2.81Å; D18-K22 WeakPolarHBondContact OD1-CE 3.47Å; D18-K22 IonicContact OD1-NZ 3.23Å; D18-K22 PolarHBondContact OD1-NZ 2.87Å; D18-K22 WeakPolarHBondContact OD2-CD 3.33Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 3.83Å; D18-K22 PolarHBondContact OD2-NZ 3.14Å
19T98.3Very high97.4Very high15 Ų1561.8 Ų61.89%0.09233%0.327CS..Hα-helixtrans-65.7-43.4174.5-60.40000111.7S15 A16 L17 V21 K22 T23 V244 R248S15-T19 WeakPolarHBondContact O-CB 3.49Å; S15-T19 PolarHBondContact O-N 3.25Å; S15-T19 VanDerWaalsContact O-N 3.15Å; S15-T19 PolarHBondContact O-OG1 2.67Å; A16-T19 WeakPolarHBondContact O-CB 3.4Å; A16-T19 PolarHBondContact O-N 3.06Å; L17-T19 PolarHBondContact O-N 3.12Å; T19-V21 PolarHBondContact O-N 2.82Å; T19-K22 PolarHBondContact O-N 3.12Å; T19-T23 WeakPolarHBondContact O-CB 3.32Å; T19-T23 PolarHBondContact O-N 3.33Å; T19-T23 PolarHBondContact O-OG1 3.18Å; T19-V244 HydrophobicContact CG2-CB 4.46Å; T19-V244 HydrophobicContact CG2-CG1 3.64Å; T19-R248 WeakPolarHBondContact OG1-CD 3.31Å; T19-R248 PolarHBondContact OG1-NE 3.27Å; T19-R248 PolarHBondContact OG1-NH1 3Å
20Y98.4Very high97.3Very high77 Ų7763.3 Ų63.330%0.30233%0.334SS..Hα-helixtrans-56.2-52.3174.5-175.8-83.3000111.1A16 L17 T23 S24 P206 P241 A242 A245A16-Y20 PolarHBondContact O-N 3.25Å; L17-Y20 VanDerWaalsContact O-CB 3.3Å; L17-Y20 WeakPolarHBondContact O-CB 3.34Å; L17-Y20 PolarHBondContact O-N 2.87Å; L17-Y20 VanDerWaalsContact O-N 3.09Å; Y20-T23 PolarHBondContact O-N 3.27Å; Y20-S24 VanDerWaalsContact O-CB 3.29Å; Y20-S24 WeakPolarHBondContact O-CB 3.23Å; Y20-S24 PolarHBondContact O-N 3.09Å; Y20-P206 HydrophobicContact CD2-CB 4.43Å; Y20-P206 HydrophobicContact CD2-CG 4.45Å; Y20-P241 VanDerWaalsContact CD2-C 3.49Å; Y20-P241 HydrophobicContact CD2-CB 3.86Å; Y20-P241 WeakPolarHBondContact CD2-O 3.45Å; Y20-P241 HydrophobicContact CE1-CB 4.44Å; Y20-P241 HydrophobicContact CE2-CB 3.79Å; Y20-P241 HydrophobicContact CG-CB 4.22Å; Y20-A242 HydrophobicContact CD2-CB 4.36Å; Y20-A242 HydrophobicContact CE2-CB 3.9Å; Y20-A245 HydrophobicContact CD2-CB 4.2Å
21V98.4Very high97.2Very high59 Ų5963.5 Ų63.536%0.35834%0.336SS..Hα-helixtrans-60.8-49.9-178.8172.50000110.8L17 D18 T19 T23 S24 Q25L17-V21 HydrophobicContact CD1-CG2 4.43Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 3.4Å; D18-V21 PolarHBondContact O-N 3.23Å; T19-V21 PolarHBondContact O-N 2.82Å; V21-T23 PolarHBondContact O-N 3.01Å; V21-S24 PolarHBondContact O-N 3.01Å; V21-Q25 HydrophobicContact CG1-CG 4.39Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 WeakPolarHBondContact O-CG 3.41Å; V21-Q25 PolarHBondContact O-N 3.24Å
22K97.9Very high97Very high85 Ų8563.2 Ų63.237%0.3733%0.329SS..Hα-helixtrans-61.8-44.6-179.6-76171.6178161.60112.1D18 T19 Q25 R26D18-K22 WeakPolarHBondContact O-CB 3.36Å; D18-K22 VanDerWaalsContact O-CG 3.31Å; D18-K22 WeakPolarHBondContact O-CG 3.43Å; D18-K22 PolarHBondContact O-N 2.81Å; D18-K22 WeakPolarHBondContact OD1-CE 3.47Å; D18-K22 IonicContact OD1-NZ 3.23Å; D18-K22 PolarHBondContact OD1-NZ 2.87Å; D18-K22 WeakPolarHBondContact OD2-CD 3.33Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 3.83Å; D18-K22 PolarHBondContact OD2-NZ 3.14Å; T19-K22 PolarHBondContact O-N 3.12Å; K22-Q25 PolarHBondContact O-N 3.41Å; K22-R26 VanDerWaalsContact O-CB 3.24Å; K22-R26 WeakPolarHBondContact O-CB 3.45Å; K22-R26 VanDerWaalsContact O-CG 3.31Å; K22-R26 WeakPolarHBondContact O-CG 3.41Å; K22-R26 PolarHBondContact O-N 2.89Å
23T97.7Very high96.8Very high12 Ų1262.5 Ų62.57%0.07433%0.329CS..Hα-helixtrans-63.8-46.8177.3-59.70000110.5T19 Y20 V21 Q25 R26 I27 L240 P241 V244T19-T23 WeakPolarHBondContact O-CB 3.32Å; T19-T23 PolarHBondContact O-N 3.33Å; T19-T23 PolarHBondContact O-OG1 3.18Å; Y20-T23 PolarHBondContact O-N 3.27Å; V21-T23 PolarHBondContact O-N 3.01Å; T23-Q25 VanDerWaalsContact C-N 3.31Å; T23-Q25 PolarHBondContact O-N 3.06Å; T23-R26 PolarHBondContact O-N 3.12Å; T23-I27 HydrophobicContact CG2-CB 4.27Å; T23-I27 HydrophobicContact CG2-CG1 4.3Å; T23-I27 WeakPolarHBondContact O-CA 3.41Å; T23-I27 WeakPolarHBondContact O-CB 3.46Å; T23-I27 PolarHBondContact O-N 2.94Å; T23-L240 HydrophobicContact CG2-CG 4.2Å; T23-P241 HydrophobicContact CG2-CB 4.28Å; T23-P241 HydrophobicContact CG2-CG 4.26Å; T23-V244 HydrophobicContact CG2-CG2 4.33Å
24S96.6Very high96.6Very high61 Ų6169.8 Ų69.843%0.42737%0.369SS..Hα-helixtrans-62.3-34.1179.5-170.20000113.7Y20 V21Y20-S24 VanDerWaalsContact O-CB 3.29Å; Y20-S24 WeakPolarHBondContact O-CB 3.23Å; Y20-S24 PolarHBondContact O-N 3.09Å; V21-S24 PolarHBondContact O-N 3.01Å
25Q96.7Very high96.5Very high135 Ų13569.6 Ų69.663%0.63136%0.358SS*.Hα-helixtrans-84-36.7-179.3-73178.7-26.300112.9V21 K22 T23V21-Q25 HydrophobicContact CG1-CG 4.39Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 WeakPolarHBondContact O-CG 3.41Å; V21-Q25 PolarHBondContact O-N 3.24Å; K22-Q25 PolarHBondContact O-N 3.41Å; T23-Q25 VanDerWaalsContact C-N 3.31Å; T23-Q25 PolarHBondContact O-N 3.06Å
26R96.4Very high96.5Very high186 Ų18673.8 Ų73.870%0.70238%0.378SS*.Hα-helixtrans-99.4-24.4-169.5-60.2179.1-179.2-168.7-2.6113.6K22 T23K22-R26 VanDerWaalsContact O-CB 3.24Å; K22-R26 WeakPolarHBondContact O-CB 3.45Å; K22-R26 VanDerWaalsContact O-CG 3.31Å; K22-R26 WeakPolarHBondContact O-CG 3.41Å; K22-R26 PolarHBondContact O-N 2.89Å; T23-R26 PolarHBondContact O-N 3.12Å
27I95.5Very high96.4Very high40 Ų4078.2 Ų78.221%0.20540%0.401CS..  trans-115.388.2-175.3-48.7-64.8000108.4T23 A41 L44 L240T23-I27 HydrophobicContact CG2-CB 4.27Å; T23-I27 HydrophobicContact CG2-CG1 4.3Å; T23-I27 WeakPolarHBondContact O-CA 3.41Å; T23-I27 WeakPolarHBondContact O-CB 3.46Å; T23-I27 PolarHBondContact O-N 2.94Å; I27-A41 HydrophobicContact CG2-CB 3.85Å; I27-L44 HydrophobicContact CB-CD1 4.3Å; I27-L44 HydrophobicContact CD1-CD1 3.71Å; I27-L44 HydrophobicContact CG1-CD1 3.52Å; I27-L44 HydrophobicContact CG2-CD1 4.01Å; I27-L240 HydrophobicContact CG2-CD2 3.77Å
28M93.3Very high96.3Very high158 Ų15874.4 Ų74.478%0.77838%0.381SS*.  trans-93.5-10-175.7-57.5-169.7-63.200113.7
29G94.8Very high96.2Very high11 Ų1175.2 Ų75.211%0.11339%0.388CS..SBendtrans-70.4143.3-178.200000112.3A41G29-A41 WeakPolarHBondContact O-CB 3.43Å
30N95.8Very high96.1Very high52 Ų5279.4 Ų79.428%0.27841%0.407SS..  trans-77.1126.9167.7178.8-25.4000108.7S32 S33 G38N30-S32 PolarHBondContact O-N 3.25Å; N30-S32 WeakPolarHBondContact OD1-CB 3.36Å; N30-S32 PolarHBondContact OD1-N 3.27Å; N30-S33 WeakPolarHBondContact O-CB 3.48Å; N30-S33 PolarHBondContact O-N 2.93Å; N30-S33 PolarHBondContact O-OG 3.27Å; N30-G38 WeakPolarHBondContact O-CA 3.37Å
31P95.9Very high96.1Very high12 Ų1275.8 Ų75.88%0.07839%0.393CS..THydrogen-bonded Turntrans-53.8-25.2178.9-28.236.4000114.8S33 A41 N42 L45 E238 L240P31-S33 VanDerWaalsContact C-N 3.31Å; P31-A41 HydrophobicContact CG-CB 4.03Å; P31-N42 HydrophobicContact CB-CB 4.17Å; P31-L45 HydrophobicContact CB-CD2 4.07Å; P31-L45 HydrophobicContact CG-CD2 4.38Å; P31-E238 HydrophobicContact CG-CB 4.31Å; P31-L240 HydrophobicContact CG-CD2 4.44Å
32S94Very high96.1Very high66 Ų6675.9 Ų75.946%0.46239%0.391SS..THydrogen-bonded Turntrans-80.8-5.3177.6-58.60000114N30N30-S32 PolarHBondContact O-N 3.25Å; N30-S32 WeakPolarHBondContact OD1-CB 3.36Å; N30-S32 PolarHBondContact OD1-N 3.27Å
33S94.8Very high96.1Very high36 Ų3680.4 Ų80.425%0.25241%0.406SS..  trans-85.4141.5-177.7-60.90000112.9N30 P31 H35N30-S33 WeakPolarHBondContact O-CB 3.48Å; N30-S33 PolarHBondContact O-N 2.93Å; N30-S33 PolarHBondContact O-OG 3.27Å; P31-S33 VanDerWaalsContact C-N 3.31Å; S33-H35 WeakPolarHBondContact CB-CE1 3.11Å; S33-H35 VanDerWaalsContact CB-NE2 3.35Å; S33-H35 WeakPolarHBondContact CB-NE2 3.33Å; S33-H35 PolarHBondContact O-N 3.47Å
34L94.1Very high96.1Very high176 Ų17681.9 Ų81.992%0.92141%0.413SS*.SBendtrans-77.7-16.7-177.2-61.4175.7000114.6
35H95.9Very high96.1Very high100 Ų10079.1 Ų79.146%0.46339%0.394SS..SBendtrans-77.9163.418058.249.2000111.7S33 L37 G38 T39S33-H35 WeakPolarHBondContact CB-CE1 3.11Å; S33-H35 VanDerWaalsContact CB-NE2 3.35Å; S33-H35 WeakPolarHBondContact CB-NE2 3.33Å; S33-H35 PolarHBondContact O-N 3.47Å; H35-L37 PolarHBondContact ND1-N 3.25Å; H35-L37 PolarHBondContact O-N 3.05Å; H35-G38 PolarHBondContact CE1-N 2.79Å; H35-G38 PolarHBondContact ND1-N 2.83Å; H35-G38 VanDerWaalsContact ND1-N 3.13Å; H35-G38 WeakPolarHBondContact O-CA 3.38Å; H35-G38 PolarHBondContact O-N 3.44Å; H35-T39 PolarHBondContact O-N 3.49Å; H35-T39 VanDerWaalsContact O-N 3.08Å
36D95.6Very high96.2Very high126 Ų12676.6 Ų76.667%0.67438%0.382SS*.Hα-helixtrans-51.9-37.8-174.8-67.7-21.3000114.6G38 T39 Q40D36-G38 VanDerWaalsContact C-N 3.29Å; D36-G38 PolarHBondContact O-N 3.07Å; D36-T39 PolarHBondContact O-N 3.07Å; D36-Q40 WeakPolarHBondContact O-CB 3.3Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.41Å; D36-Q40 PolarHBondContact O-N 3.26Å
37L96.7Very high96.3Very high93 Ų9372.8 Ų72.849%0.48737%0.372SS..Hα-helixtrans-63.5-34.8177.3-57.9178.1000112.6H35 A41H35-L37 PolarHBondContact ND1-N 3.25Å; H35-L37 PolarHBondContact O-N 3.05Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.4Å; L37-A41 VanDerWaalsContact O-N 3.1Å
38G97.2Very high96.5Very high0 Ų071.1 Ų71.10%036%0.364CS..Hα-helixtrans-75.8-41177.700000110.9N30 H35 D36 Q40 A41 N42N30-G38 WeakPolarHBondContact O-CA 3.37Å; H35-G38 PolarHBondContact CE1-N 2.79Å; H35-G38 PolarHBondContact ND1-N 2.83Å; H35-G38 VanDerWaalsContact ND1-N 3.13Å; H35-G38 WeakPolarHBondContact O-CA 3.38Å; H35-G38 PolarHBondContact O-N 3.44Å; D36-G38 VanDerWaalsContact C-N 3.29Å; D36-G38 PolarHBondContact O-N 3.07Å; G38-Q40 VanDerWaalsContact C-N 3.32Å; G38-Q40 PolarHBondContact O-N 3.42Å; G38-A41 WeakPolarHBondContact O-CB 3.46Å; G38-A41 PolarHBondContact O-N 3.46Å; G38-N42 WeakPolarHBondContact O-CB 3.39Å; G38-N42 PolarHBondContact O-N 2.92Å
39T96.7Very high96.7Very high80 Ų8064.5 Ų64.549%0.49133%0.331SS..Hα-helixtrans-57.3-43.6171.2-57.10000112.1H35 D36 N42 R43H35-T39 PolarHBondContact O-N 3.49Å; H35-T39 VanDerWaalsContact O-N 3.08Å; D36-T39 PolarHBondContact O-N 3.07Å; T39-N42 PolarHBondContact O-N 3.37Å; T39-R43 PolarHBondContact O-N 3.14Å
40Q96.7Very high96.9Very high103 Ų10368.8 Ų68.848%0.48135%0.346SS..Hα-helixtrans-63.2-45.1175.3-72.8173.146.600112D36 G38 R43 L44D36-Q40 WeakPolarHBondContact O-CB 3.3Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.41Å; D36-Q40 PolarHBondContact O-N 3.26Å; G38-Q40 VanDerWaalsContact C-N 3.32Å; G38-Q40 PolarHBondContact O-N 3.42Å; Q40-R43 PolarHBondContact O-N 2.68Å; Q40-L44 PolarHBondContact O-N 3.12Å
41A97.8Very high97.1Very high0 Ų068.9 Ų68.90%035%0.345CS..Hα-helixtrans-62-44.9176.900000112.1I27 G29 P31 L37 G38 R43 L44 L45 L240I27-A41 HydrophobicContact CG2-CB 3.85Å; G29-A41 WeakPolarHBondContact O-CB 3.43Å; P31-A41 HydrophobicContact CG-CB 4.03Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.4Å; L37-A41 VanDerWaalsContact O-N 3.1Å; G38-A41 WeakPolarHBondContact O-CB 3.46Å; G38-A41 PolarHBondContact O-N 3.46Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.9Å; A41-L44 PolarHBondContact O-N 2.75Å; A41-L45 PolarHBondContact O-N 2.95Å; A41-L240 HydrophobicContact CB-CD2 3.69Å
42N97.7Very high97.2Very high62 Ų6268.3 Ų68.333%0.33234%0.341SS..Hα-helixtrans-63.4-38.8176.1-175.137000111.8P31 G38 T39 L44 L45 Q46P31-N42 HydrophobicContact CB-CB 4.17Å; G38-N42 WeakPolarHBondContact O-CB 3.39Å; G38-N42 PolarHBondContact O-N 2.92Å; T39-N42 PolarHBondContact O-N 3.37Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.44Å; N42-L45 WeakPolarHBondContact O-CB 3.34Å; N42-L45 PolarHBondContact O-N 2.9Å; N42-L45 VanDerWaalsContact O-N 3.16Å; N42-Q46 WeakPolarHBondContact O-CG 3.39Å; N42-Q46 PolarHBondContact O-N 2.89Å; N42-Q46 PolarHBondContact OD1-NE2 2.86Å
43R97.6Very high97.4Very high180 Ų18065.1 Ų65.168%0.67932%0.319SS*.Hα-helixtrans-58.6-42.6175.6-166.3179.6-167.6170.84.2111.7T39 Q40 A41 Q46 Q47T39-R43 PolarHBondContact O-N 3.14Å; Q40-R43 PolarHBondContact O-N 2.68Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.9Å; R43-Q46 PolarHBondContact O-N 2.77Å; R43-Q47 WeakPolarHBondContact O-CB 3.25Å; R43-Q47 VanDerWaalsContact O-CG 3.28Å; R43-Q47 WeakPolarHBondContact O-CG 3.48Å; R43-Q47 PolarHBondContact O-N 2.89Å
44L97.7Very high97.6Very high43 Ų4367.6 Ų67.623%0.22533%0.329CS..Hα-helixtrans-67.4-39.4175.6-74.8170.9000112.4I27 Q40 A41 N42 Q47 A48 L240 V244I27-L44 HydrophobicContact CB-CD1 4.3Å; I27-L44 HydrophobicContact CD1-CD1 3.71Å; I27-L44 HydrophobicContact CG1-CD1 3.52Å; I27-L44 HydrophobicContact CG2-CD1 4.01Å; Q40-L44 PolarHBondContact O-N 3.12Å; A41-L44 PolarHBondContact O-N 2.75Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.44Å; L44-Q47 PolarHBondContact O-N 3.36Å; L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.2Å; L44-L240 HydrophobicContact CB-CD1 4.26Å; L44-V244 HydrophobicContact CB-CG2 4.36Å
45L98.3Very high97.8Very high3 Ų361.3 Ų61.32%0.01630%0.296CS..Hα-helixtrans-57.4-49.3174179.460.9000111.1P31 A41 N42 Q47 A48 R49 F65 E238 L240 I243P31-L45 HydrophobicContact CB-CD2 4.07Å; P31-L45 HydrophobicContact CG-CD2 4.38Å; A41-L45 PolarHBondContact O-N 2.95Å; N42-L45 WeakPolarHBondContact O-CB 3.34Å; N42-L45 PolarHBondContact O-N 2.9Å; N42-L45 VanDerWaalsContact O-N 3.16Å; L45-Q47 PolarHBondContact O-N 2.81Å; L45-A48 PolarHBondContact O-N 3.31Å; L45-R49 PolarHBondContact O-N 3.25Å; L45-F65 HydrophobicContact CD1-CD2 3.87Å; L45-F65 HydrophobicContact CD1-CE2 3.72Å; L45-E238 HydrophobicContact CD2-CB 4.46Å; L45-E238 HydrophobicContact CD2-CG 3.86Å; L45-L240 HydrophobicContact CB-CD1 3.88Å; L45-L240 HydrophobicContact CD1-CD1 4.42Å; L45-I243 HydrophobicContact CD1-CD1 3.82Å; L45-I243 HydrophobicContact CD1-CG2 4.06Å
46Q98.3Very high97.9Very high82 Ų8256.7 Ų56.738%0.38328%0.275SS..Hα-helixtrans-67.4-35.5179.5-61.1-49.5-38.200112.4N42 R43 R49 K50N42-Q46 WeakPolarHBondContact O-CG 3.39Å; N42-Q46 PolarHBondContact O-N 2.89Å; N42-Q46 PolarHBondContact OD1-NE2 2.86Å; R43-Q46 PolarHBondContact O-N 2.77Å; Q46-R49 PolarHBondContact O-N 3.21Å; Q46-K50 WeakPolarHBondContact O-CB 3.25Å; Q46-K50 PolarHBondContact O-N 3.3Å
47Q98.5Very high98Very high105 Ų10557.7 Ų57.749%0.49128%0.28SS..Hα-helixtrans-64-43.6173.3-77175.3-12.300112.1R43 L44 L45 R49 K50 Q51R43-Q47 WeakPolarHBondContact O-CB 3.25Å; R43-Q47 VanDerWaalsContact O-CG 3.28Å; R43-Q47 WeakPolarHBondContact O-CG 3.48Å; R43-Q47 PolarHBondContact O-N 2.89Å; L44-Q47 PolarHBondContact O-N 3.36Å; L45-Q47 PolarHBondContact O-N 2.81Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; Q47-K50 PolarHBondContact O-N 2.98Å; Q47-Q51 WeakPolarHBondContact O-CB 3.4Å; Q47-Q51 PolarHBondContact O-N 3.45Å
48A98.7Very high98.1Very high5 Ų554.4 Ų54.44%0.04126%0.264CS..Hα-helixtrans-64-40.2175.900000111.7L44 L45 T52 F65 I243 V244 S247L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.2Å; L45-A48 PolarHBondContact O-N 3.31Å; A48-T52 WeakPolarHBondContact O-CB 3.45Å; A48-T52 PolarHBondContact O-N 2.68Å; A48-T52 PolarHBondContact O-OG1 3.22Å; A48-F65 HydrophobicContact CB-CZ 4.48Å; A48-I243 HydrophobicContact CB-CG2 3.68Å; A48-V244 HydrophobicContact CB-CG2 4.27Å; A48-S247 PolarHBondContact O-OG 3.41Å
49R98.8Very high98.1Very high20 Ų2059.6 Ų59.68%0.07529%0.287CS..Hα-helixtrans-62.7-48.4175.1-165.1-176.9-54.4-78.6-3.4111.4L45 Q46 Q47 T52 A53 T60 V63 F65 E230L45-R49 PolarHBondContact O-N 3.25Å; Q46-R49 PolarHBondContact O-N 3.21Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; R49-T52 PolarHBondContact O-N 3.42Å; R49-A53 WeakPolarHBondContact O-CB 3.11Å; R49-A53 PolarHBondContact O-N 3.33Å; R49-T60 HydrophobicContact CB-CG2 4.29Å; R49-T60 VanDerWaalsContact CD-O 3.24Å; R49-T60 WeakPolarHBondContact CD-O 3.5Å; R49-T60 HydrophobicContact CG-CG2 3.98Å; R49-T60 WeakPolarHBondContact CG-O 3.07Å; R49-V63 HydrophobicContact CG-CB 3.94Å; R49-V63 HydrophobicContact CG-CG1 4.12Å; R49-V63 PolarHBondContact NH1-O 2.85Å; R49-F65 HydrophobicContact CB-CE2 3.91Å; R49-F65 HydrophobicContact CB-CZ 3.98Å; R49-F65 HydrophobicContact CG-CE2 4.25Å; R49-F65 HydrophobicContact CG-CZ 4.36Å; R49-E230 IonicContact CZ-OE1 2.72Å; R49-E230 IonicContact CZ-OE2 3.26Å; R49-E230 IonicContact NH1-OE1 3.62Å; R49-E230 IonicContact NH1-OE2 3.43Å; R49-E230 PolarHBondContact NH1-OE2 2.93Å; R49-E230 VanDerWaalsContact NH2-CD 3.33Å; R49-E230 IonicContact NH2-OE1 3.47Å; R49-E230 PolarHBondContact NH2-OE1 2.78Å; R49-E230 IonicContact NH2-OE2 3.58Å; R49-E230 PolarHBondContact NH2-OE2 2.85Å
50K98.8Very high98.2Very high101 Ų10158 Ų5844%0.43928%0.277SS..Hα-helixtrans-59.6-49.3177.6-168.4-165-176.9-48.50111.2Q46 Q47 T52 A53 D54 T60Q46-K50 WeakPolarHBondContact O-CB 3.25Å; Q46-K50 PolarHBondContact O-N 3.3Å; Q47-K50 PolarHBondContact O-N 2.98Å; K50-T52 VanDerWaalsContact C-N 3.33Å; K50-T52 PolarHBondContact O-N 2.76Å; K50-A53 PolarHBondContact O-N 3.45Å; K50-D54 IonicContact NZ-OD1 2.75Å; K50-D54 PolarHBondContact NZ-OD1 3.36Å; K50-D54 IonicContact NZ-OD2 2.63Å; K50-D54 PolarHBondContact NZ-OD2 2.94Å; K50-D54 WeakPolarHBondContact O-CB 3.49Å; K50-D54 PolarHBondContact O-N 3.06Å; K50-T60 HydrophobicContact CB-CG2 4.16Å
51Q98.8Very high98.3Very high53 Ų5357.2 Ų57.225%0.24828%0.276CS..Hα-helixtrans-61.3-42.3179.3178.3179.5-44.100111.5Q47 A53 D54 L55 S247Q47-Q51 WeakPolarHBondContact O-CB 3.4Å; Q47-Q51 PolarHBondContact O-N 3.45Å; Q51-A53 VanDerWaalsContact C-N 3.32Å; Q51-A53 PolarHBondContact O-N 3.48Å; Q51-D54 PolarHBondContact O-N 3.37Å; Q51-L55 HydrophobicContact CG-CD1 3.87Å; Q51-L55 HydrophobicContact CG-CG 4.36Å; Q51-L55 WeakPolarHBondContact O-CB 3.23Å; Q51-L55 WeakPolarHBondContact O-CD1 3.5Å; Q51-L55 WeakPolarHBondContact O-CG 3.45Å; Q51-L55 PolarHBondContact O-N 3.2Å; Q51-S247 WeakPolarHBondContact CB-OG 3.29Å; Q51-S247 VanDerWaalsContact CD-OG 3.25Å; Q51-S247 WeakPolarHBondContact CG-OG 3.35Å; Q51-S247 PolarHBondContact NE2-O 2.89Å; Q51-S247 PolarHBondContact NE2-OG 2.91Å
52T98.8Very high98.3Very high0 Ų057.9 Ų57.90%028%0.279CS..Hα-helixtrans-60.8-43175.9-570000111.2A48 R49 K50 L56 V63 F211 L250A48-T52 WeakPolarHBondContact O-CB 3.45Å; A48-T52 PolarHBondContact O-N 2.68Å; A48-T52 PolarHBondContact O-OG1 3.22Å; R49-T52 PolarHBondContact O-N 3.42Å; K50-T52 VanDerWaalsContact C-N 3.33Å; K50-T52 PolarHBondContact O-N 2.76Å; T52-L56 PolarHBondContact O-N 3.37Å; T52-V63 HydrophobicContact CG2-CG1 3.91Å; T52-V63 HydrophobicContact CG2-CG2 4.4Å; T52-F211 HydrophobicContact CG2-CD1 4.27Å; T52-F211 HydrophobicContact CG2-CD2 3.98Å; T52-F211 HydrophobicContact CG2-CE1 4.01Å; T52-F211 HydrophobicContact CG2-CE2 3.7Å; T52-F211 HydrophobicContact CG2-CG 4.25Å; T52-F211 HydrophobicContact CG2-CZ 3.72Å; T52-L250 HydrophobicContact CG2-CD2 4.16Å
53A98.7Very high98.4Very high0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-65.9-44.8177.200000112.7R49 K50 Q51 L55 L56 N57 V58 V63R49-A53 WeakPolarHBondContact O-CB 3.11Å; R49-A53 PolarHBondContact O-N 3.33Å; K50-A53 PolarHBondContact O-N 3.45Å; Q51-A53 VanDerWaalsContact C-N 3.32Å; Q51-A53 PolarHBondContact O-N 3.48Å; A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.08Å; A53-L56 CarbonylContact O-C 3.59Å; A53-L56 PolarHBondContact O-N 3.23Å; A53-L56 VanDerWaalsContact O-N 3.13Å; A53-N57 PolarHBondContact O-N 3.37Å; A53-V58 HydrophobicContact CB-CG2 4.03Å; A53-V58 PolarHBondContact O-N 2.99Å; A53-V63 HydrophobicContact CB-CG2 3.74Å
54D98.6Very high98.4Very high88 Ų8847.3 Ų47.347%0.47124%0.235SC..Hα-helixtrans-60.3-41.8177.6-66-18.5000111.1K50 Q51 L56 N57K50-D54 IonicContact NZ-OD1 2.75Å; K50-D54 PolarHBondContact NZ-OD1 3.36Å; K50-D54 IonicContact NZ-OD2 2.63Å; K50-D54 PolarHBondContact NZ-OD2 2.94Å; K50-D54 WeakPolarHBondContact O-CB 3.49Å; K50-D54 PolarHBondContact O-N 3.06Å; Q51-D54 PolarHBondContact O-N 3.37Å; D54-L56 PolarHBondContact O-N 3.04Å; D54-N57 PolarHBondContact O-N 2.88Å; D54-N57 VanDerWaalsContact O-N 3.08Å
55L98.2Very high98.5Very high44 Ų4445.3 Ų45.323%0.2323%0.225CC..Hα-helixtrans-66.2-22.7178.4-70.3167.4000113.5Q51 A53 L250 R251 L254Q51-L55 HydrophobicContact CG-CD1 3.87Å; Q51-L55 HydrophobicContact CG-CG 4.36Å; Q51-L55 WeakPolarHBondContact O-CB 3.23Å; Q51-L55 WeakPolarHBondContact O-CD1 3.5Å; Q51-L55 WeakPolarHBondContact O-CG 3.45Å; Q51-L55 PolarHBondContact O-N 3.2Å; A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.08Å; L55-L250 HydrophobicContact CB-CD2 4.29Å; L55-L250 HydrophobicContact CD1-CB 4.27Å; L55-L250 HydrophobicContact CD1-CD2 4.13Å; L55-L250 HydrophobicContact CD1-CG 3.94Å; L55-R251 HydrophobicContact CD1-CB 3.8Å; L55-R251 HydrophobicContact CD1-CG 4.46Å; L55-R251 HydrophobicContact CD2-CB 4.24Å; L55-R251 HydrophobicContact CD2-CG 4.07Å; L55-L254 HydrophobicContact CB-CD1 3.91Å; L55-L254 HydrophobicContact CD2-CD1 4.01Å; L55-L254 HydrophobicContact CG-CD1 4.4Å
56L97.8Very high98.5Very high2 Ų245.4 Ų45.41%0.0123%0.225CC..THydrogen-bonded Turntrans-100.90.4174.1-69.2-178.1000112.9T52 A53 D54 V58 I180 Q185 W188 F198 F211T52-L56 PolarHBondContact O-N 3.37Å; A53-L56 CarbonylContact O-C 3.59Å; A53-L56 PolarHBondContact O-N 3.23Å; A53-L56 VanDerWaalsContact O-N 3.13Å; D54-L56 PolarHBondContact O-N 3.04Å; L56-V58 HydrophobicContact CB-CG1 4.29Å; L56-V58 HydrophobicContact CB-CG2 3.97Å; L56-V58 PolarHBondContact O-N 3.15Å; L56-I180 HydrophobicContact CD2-CD1 4.07Å; L56-I180 HydrophobicContact CD2-CG1 4.5Å; L56-Q185 PolarHBondContact O-NE2 3.27Å; L56-W188 HydrophobicContact CD2-CH2 4.11Å; L56-F198 HydrophobicContact CD1-CE2 4.12Å; L56-F198 HydrophobicContact CD1-CZ 4.01Å; L56-F211 HydrophobicContact CD1-CE2 3.47Å; L56-F211 VanDerWaalsContact CD1-CE2 3.47Å; L56-F211 HydrophobicContact CD1-CZ 3.81Å
57N97.6Very high98.5Very high147 Ų14744.2 Ų44.279%0.78623%0.226SC*.THydrogen-bonded Turntrans52.241.3-173.7-165.534.6000113.4A53 D54A53-N57 PolarHBondContact O-N 3.37Å; D54-N57 PolarHBondContact O-N 2.88Å; D54-N57 VanDerWaalsContact O-N 3.08Å
58V98.3Very high98.5Very high25 Ų2539.6 Ų39.615%0.15221%0.207CC..SBendtrans-118.5171.1176.3-60.90000111A53 L56 V63 L189 Y213A53-V58 HydrophobicContact CB-CG2 4.03Å; A53-V58 PolarHBondContact O-N 2.99Å; L56-V58 HydrophobicContact CB-CG1 4.29Å; L56-V58 HydrophobicContact CB-CG2 3.97Å; L56-V58 PolarHBondContact O-N 3.15Å; V58-V63 HydrophobicContact CG2-CG2 4.08Å; V58-L189 HydrophobicContact CG1-CD2 4.02Å; V58-Y213 HydrophobicContact CB-CD2 4.1Å; V58-Y213 HydrophobicContact CB-CE2 3.9Å; V58-Y213 HydrophobicContact CG1-CD2 3.82Å; V58-Y213 HydrophobicContact CG1-CE2 3.6Å; V58-Y213 HydrophobicContact CG2-CD2 4.18Å; V58-Y213 HydrophobicContact CG2-CE2 4.47Å
59K98.5Very high98.5Very high109 Ų10939.7 Ų39.747%0.47421%0.208SC..  trans-74.9148.4177.8-59.7170.3176.4168.60110.7N61 E62 E216K59-N61 WeakPolarHBondContact CB-OD1 3.31Å; K59-N61 PolarHBondContact O-N 3.36Å; K59-E62 HydrophobicContact CB-CG 3.97Å; K59-E62 WeakPolarHBondContact CB-OE2 3.21Å; K59-E62 PolarHBondContact N-OE2 3.38Å; K59-E62 WeakPolarHBondContact O-CB 3.36Å; K59-E62 PolarHBondContact O-N 2.92Å; K59-E216 WeakPolarHBondContact CD-OE2 3.37Å; K59-E216 IonicContact NZ-OE2 2.61Å; K59-E216 PolarHBondContact NZ-OE2 2.76Å
60T98.5Very high98.5Very high47 Ų4742.7 Ų42.729%0.28823%0.229SC..G310 helixtrans-60.8-32.8-179.5-54.80000113.2R49 K50 E62R49-T60 HydrophobicContact CB-CG2 4.29Å; R49-T60 VanDerWaalsContact CD-O 3.24Å; R49-T60 WeakPolarHBondContact CD-O 3.5Å; R49-T60 HydrophobicContact CG-CG2 3.98Å; R49-T60 WeakPolarHBondContact CG-O 3.07Å; K50-T60 HydrophobicContact CB-CG2 4.16Å; T60-E62 PolarHBondContact O-N 3.16Å
61N97.9Very high98.5Very high85 Ų8538.8 Ų38.846%0.45521%0.212SC..G310 helixtrans-77.5-1.3176.964.9-31.6000113.9K59 F64 E216K59-N61 WeakPolarHBondContact CB-OD1 3.31Å; K59-N61 PolarHBondContact O-N 3.36Å; N61-F64 VanDerWaalsContact O-CE2 3.27Å; N61-F64 WeakPolarHBondContact O-CE2 3.31Å; N61-E216 PolarHBondContact ND2-OE1 2.72Å
62E98.6Very high98.5Very high14 Ų1436.3 Ų36.37%0.06520%0.201CC..G310 helixtrans-97.8-2.4176.6-63.4178.1130.500112.5K59 T60 Y213 W214 K215 E216K59-E62 HydrophobicContact CB-CG 3.97Å; K59-E62 WeakPolarHBondContact CB-OE2 3.21Å; K59-E62 PolarHBondContact N-OE2 3.38Å; K59-E62 WeakPolarHBondContact O-CB 3.36Å; K59-E62 PolarHBondContact O-N 2.92Å; T60-E62 PolarHBondContact O-N 3.16Å; E62-Y213 HydrophobicContact CB-CD2 3.88Å; E62-Y213 HydrophobicContact CB-CE2 3.73Å; E62-Y213 HydrophobicContact CG-CE2 4.23Å; E62-Y213 CarbonylContact O-C 3.45Å; E62-Y213 WeakPolarHBondContact O-CA 3.48Å; E62-W214 VanDerWaalsContact CA-O 3.25Å; E62-W214 WeakPolarHBondContact CA-O 3.41Å; E62-W214 WeakPolarHBondContact CB-O 3.5Å; E62-W214 WeakPolarHBondContact CG-O 3.14Å; E62-W214 PolarHBondContact O-N 3Å; E62-K215 WeakPolarHBondContact OE1-CA 3.36Å; E62-E216 HydrophobicContact CG-CB 4.23Å; E62-E216 PolarHBondContact OE1-N 3.34Å
63V98.8Very high98.5Very high1 Ų136.3 Ų36.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-101.2124.3176.6175.40000109.3R49 T52 A53 V58 F65 F211R49-V63 HydrophobicContact CG-CB 3.94Å; R49-V63 HydrophobicContact CG-CG1 4.12Å; R49-V63 PolarHBondContact NH1-O 2.85Å; T52-V63 HydrophobicContact CG2-CG1 3.91Å; T52-V63 HydrophobicContact CG2-CG2 4.4Å; A53-V63 HydrophobicContact CB-CG2 3.74Å; V58-V63 HydrophobicContact CG2-CG2 4.08Å; V63-F65 HydrophobicContact CG1-CE1 4.24Å; V63-F65 HydrophobicContact CG1-CZ 4.46Å; V63-F211 HydrophobicContact CG1-CB 4.34Å; V63-F211 HydrophobicContact CG1-CD2 4.03Å; V63-F211 HydrophobicContact CG1-CG 4.44Å
64F98.7Very high98.5Very high19 Ų1937.5 Ų37.58%0.08321%0.207CC..EExtended strand (participates in β ladder)trans-125.1129176.2-69.4-103.6000110.9N61 W75 F211 I212 W214 E230 Q233N61-F64 VanDerWaalsContact O-CE2 3.27Å; N61-F64 WeakPolarHBondContact O-CE2 3.31Å; F64-W75 HydrophobicContact CB-CH2 3.93Å; F64-W75 HydrophobicContact CB-CZ3 3.91Å; F64-W75 AromaticContact CD1-CH2 3.94Å; F64-W75 HydrophobicContact CD1-CH2 3.94Å; F64-W75 HydrophobicContact CG-CH2 4.14Å; F64-F211 CarbonylContact O-C 3.27Å; F64-F211 WeakPolarHBondContact O-CA 3.32Å; F64-F211 VanDerWaalsContact O-CB 3.26Å; F64-F211 WeakPolarHBondContact O-CB 3.21Å; F64-I212 HydrophobicContact CB-CD1 4.34Å; F64-I212 HydrophobicContact CB-CG1 3.78Å; F64-I212 PolarHBondContact N-O 3.26Å; F64-I212 PolarHBondContact O-N 3.33Å; F64-W214 HydrophobicContact CD1-CE3 4.41Å; F64-W214 HydrophobicContact CD2-CB 3.92Å; F64-W214 HydrophobicContact CD2-CD2 4.49Å; F64-W214 AromaticContact CD2-CE3 3.96Å; F64-W214 HydrophobicContact CD2-CE3 3.96Å; F64-W214 HydrophobicContact CE1-CE3 4.22Å; F64-W214 HydrophobicContact CE1-CZ3 4.29Å; F64-W214 HydrophobicContact CE2-CB 4.04Å; F64-W214 HydrophobicContact CE2-CD2 4.12Å; F64-W214 AromaticContact CE2-CE3 3.75Å; F64-W214 HydrophobicContact CE2-CE3 3.75Å; F64-W214 HydrophobicContact CE2-CG 4.29Å; F64-W214 HydrophobicContact CG-CE3 4.3Å; F64-W214 AromaticContact CZ-CE3 3.89Å; F64-W214 HydrophobicContact CZ-CE3 3.89Å; F64-W214 HydrophobicContact CZ-CZ3 4.21Å; F64-E230 VanDerWaalsContact CA-OE2 3.31Å; F64-E230 WeakPolarHBondContact CA-OE2 3.17Å; F64-E230 HydrophobicContact CD1-CB 4.12Å; F64-Q233 HydrophobicContact CD1-CB 4.31Å; F64-Q233 HydrophobicContact CE1-CB 4.03Å; F64-Q233 HydrophobicContact CE1-CG 3.93Å
65F98.8Very high98.5Very high2 Ų233.3 Ų33.31%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-83.5139.6-176.1-63.2-61.5000112.3L45 A48 R49 V63 F211 E230 I243 M246L45-F65 HydrophobicContact CD1-CD2 3.87Å; L45-F65 HydrophobicContact CD1-CE2 3.72Å; A48-F65 HydrophobicContact CB-CZ 4.48Å; R49-F65 HydrophobicContact CB-CE2 3.91Å; R49-F65 HydrophobicContact CB-CZ 3.98Å; R49-F65 HydrophobicContact CG-CE2 4.25Å; R49-F65 HydrophobicContact CG-CZ 4.36Å; V63-F65 HydrophobicContact CG1-CE1 4.24Å; V63-F65 HydrophobicContact CG1-CZ 4.46Å; F65-F211 HydrophobicContact CD1-CB 4Å; F65-E230 PolarHBondContact N-OE2 3.34Å; F65-I243 HydrophobicContact CB-CD1 3.96Å; F65-I243 HydrophobicContact CB-CG1 4.19Å; F65-I243 HydrophobicContact CD1-CG1 4.07Å; F65-I243 HydrophobicContact CD1-CG2 4.07Å; F65-I243 HydrophobicContact CD2-CD1 3.77Å; F65-I243 HydrophobicContact CD2-CG1 4.14Å; F65-I243 HydrophobicContact CD2-CG2 3.93Å; F65-I243 HydrophobicContact CE1-CG2 3.69Å; F65-I243 HydrophobicContact CE2-CD1 4.41Å; F65-I243 HydrophobicContact CE2-CG2 3.5Å; F65-I243 HydrophobicContact CG-CD1 3.84Å; F65-I243 HydrophobicContact CG-CG1 3.87Å; F65-I243 HydrophobicContact CG-CG2 4.2Å; F65-I243 HydrophobicContact CZ-CG2 3.38Å; F65-M246 HydrophobicContact CD1-CE 3.57Å; F65-M246 HydrophobicContact CE1-CE 3.39Å
66T98.8Very high98.5Very high4 Ų431.2 Ų31.23%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-128.7175.5179.169.80000110.3G68 W75 V209 G210 F211 I212T66-G68 PolarHBondContact O-N 2.99Å; T66-G68 PolarHBondContact OG1-N 2.91Å; T66-G68 PolarHBondContact OG1-O 3.21Å; T66-W75 HydrophobicContact CG2-CE3 3.93Å; T66-W75 HydrophobicContact CG2-CZ3 4.12Å; T66-V209 WeakPolarHBondContact O-CA 3.21Å; T66-G210 PolarHBondContact N-O 2.71Å; T66-G210 PolarHBondContact O-N 2.56Å; T66-G210 VanDerWaalsContact OG1-C 3.26Å; T66-F211 PolarHBondContact OG1-N 2.86Å; T66-I212 HydrophobicContact CG2-CG2 4.15Å
67S98.5Very high98.6Very high58 Ų5831.1 Ų31.141%0.40617%0.173SC..SBendtrans-77.8-3.7171.6790000113.6E71 G208 V209S67-E71 WeakPolarHBondContact CB-OE2 3.38Å; S67-E71 PolarHBondContact N-OE2 2.82Å; S67-E71 PolarHBondContact OG-OE2 2.7Å; S67-G208 CarbonylContact O-C 3.31Å; S67-G208 VanDerWaalsContact O-CA 3.25Å; S67-G208 WeakPolarHBondContact O-CA 3.24Å; S67-V209 PolarHBondContact O-N 3.28Å; S67-V209 VanDerWaalsContact O-N 3.12Å
68G98.5Very high98.7Very high8 Ų826 Ų268%0.08214%0.144CC..SBendtrans152.6-176-177.600000113.2T66 T70 E71 G72T66-G68 PolarHBondContact O-N 2.99Å; T66-G68 PolarHBondContact OG1-N 2.91Å; T66-G68 PolarHBondContact OG1-O 3.21Å; G68-T70 PolarHBondContact O-N 2.9Å; G68-E71 PolarHBondContact O-N 3.35Å; G68-G72 PolarHBondContact O-N 3.48Å
69G98.5Very high98.7Very high7 Ų724.8 Ų24.87%0.07214%0.136CC..Hα-helixtrans-60.5-45.6-179.400000112.2E71 G72 D73 T197 S199G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 3.49Å; G69-G72 WeakPolarHBondContact O-CA 3.18Å; G69-G72 PolarHBondContact O-N 2.8Å; G69-D73 PolarHBondContact O-N 2.89Å; G69-T197 VanDerWaalsContact O-CG2 3.23Å; G69-T197 WeakPolarHBondContact O-CG2 3.49Å; G69-S199 PolarHBondContact N-OG 2.75Å
70T98.8Very high98.7Very high82 Ų8219.6 Ų19.650%0.50311%0.114SC..Hα-helixtrans-57-41.2179.7-530000113.8G68 N74 A100G68-T70 PolarHBondContact O-N 2.9Å; T70-N74 WeakPolarHBondContact O-CB 3.48Å; T70-N74 PolarHBondContact O-N 3.49Å; T70-N74 VanDerWaalsContact O-N 3.09Å; T70-N74 PolarHBondContact O-ND2 2.91Å; T70-A100 HydrophobicContact CG2-CB 3.91Å
71E98.8Very high98.7Very high20 Ų2017.8 Ų17.89%0.09310%0.104CC..Hα-helixtrans-66-42.8175.3-175.8-172.3147.200110.4S67 G68 G69 N74 W75 L223 R234S67-E71 WeakPolarHBondContact CB-OE2 3.38Å; S67-E71 PolarHBondContact N-OE2 2.82Å; S67-E71 PolarHBondContact OG-OE2 2.7Å; G68-E71 PolarHBondContact O-N 3.35Å; G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 3.49Å; E71-N74 PolarHBondContact O-N 3.5Å; E71-W75 WeakPolarHBondContact O-CB 3.44Å; E71-W75 PolarHBondContact O-N 2.85Å; E71-L223 HydrophobicContact CG-CD2 4.29Å; E71-R234 WeakPolarHBondContact OE1-CG 3.32Å; E71-R234 IonicContact OE1-CZ 3.73Å; E71-R234 IonicContact OE1-NE 3.61Å; E71-R234 PolarHBondContact OE1-NE 3.2Å; E71-R234 IonicContact OE1-NH2 2.63Å; E71-R234 PolarHBondContact OE1-NH2 2.95Å; E71-R234 IonicContact OE2-CZ 3.98Å; E71-R234 IonicContact OE2-NE 2.76Å; E71-R234 IonicContact OE2-NH2 2.76Å; E71-R234 PolarHBondContact OE2-NH2 3.13Å
72G98.8Very high98.7Very high0 Ų019 Ų190%011%0.109CC..Hα-helixtrans-60.1-50.6177.900000112.8G68 G69 N74 W75 V76 I212G68-G72 PolarHBondContact O-N 3.48Å; G69-G72 WeakPolarHBondContact O-CA 3.18Å; G69-G72 PolarHBondContact O-N 2.8Å; G72-N74 PolarHBondContact O-N 2.94Å; G72-W75 PolarHBondContact O-N 3.43Å; G72-W75 VanDerWaalsContact O-N 3.16Å; G72-V76 WeakPolarHBondContact O-CG2 3.2Å; G72-V76 PolarHBondContact O-N 3.46Å; G72-I212 VanDerWaalsContact CA-CG2 3.46Å
73D98.9Very high98.6Very high1 Ų118.9 Ų18.91%0.00511%0.111CC..Hα-helixtrans-59-47.2177.2-65.9-35.4000111.5G69 W75 V76 L77 A100 V101 H173 T197G69-D73 PolarHBondContact O-N 2.89Å; D73-W75 VanDerWaalsContact C-N 3.27Å; D73-W75 PolarHBondContact O-N 3.34Å; D73-V76 PolarHBondContact O-N 3Å; D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 VanDerWaalsContact O-CD1 3.3Å; D73-L77 WeakPolarHBondContact O-CD1 3.46Å; D73-L77 PolarHBondContact O-N 2.93Å; D73-A100 HydrophobicContact CB-CB 4Å; D73-A100 VanDerWaalsContact OD2-CB 3.29Å; D73-A100 WeakPolarHBondContact OD2-CB 3.43Å; D73-V101 HydrophobicContact CB-CG2 3.75Å; D73-H173 IonicContact OD1-CE1 2.7Å; D73-H173 PolarHBondContact OD1-CE1 3.35Å; D73-H173 VanDerWaalsContact OD1-CE1 3.26Å; D73-H173 IonicContact OD1-NE2 3.2Å; D73-T197 WeakPolarHBondContact OD1-CB 3.32Å; D73-T197 WeakPolarHBondContact OD1-CG2 3.39Å; D73-T197 PolarHBondContact OD1-OG1 3.01Å
74N98.9Very high98.6Very high24 Ų2420 Ų2013%0.12812%0.116CC..Hα-helixtrans-59.8-42.4177.9-91-104.6000111.3T70 E71 G72 K78 T104 L223T70-N74 WeakPolarHBondContact O-CB 3.48Å; T70-N74 PolarHBondContact O-N 3.49Å; T70-N74 VanDerWaalsContact O-N 3.09Å; T70-N74 PolarHBondContact O-ND2 2.91Å; E71-N74 PolarHBondContact O-N 3.5Å; G72-N74 PolarHBondContact O-N 2.94Å; N74-K78 HydrophobicContact CB-CD 4.5Å; N74-K78 WeakPolarHBondContact O-CB 3.35Å; N74-K78 WeakPolarHBondContact O-CG 3.34Å; N74-K78 PolarHBondContact O-N 2.85Å; N74-K78 VanDerWaalsContact OD1-CE 3.31Å; N74-K78 WeakPolarHBondContact OD1-CE 3.33Å; N74-K78 PolarHBondContact OD1-NZ 3.12Å; N74-T104 VanDerWaalsContact CG-OG1 3.31Å; N74-T104 PolarHBondContact ND2-OG1 2.95Å; N74-T104 VanDerWaalsContact ND2-OG1 3.15Å; N74-T104 PolarHBondContact OD1-OG1 2.75Å; N74-L223 HydrophobicContact CB-CD2 3.86Å
75W98.8Very high98.5Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-67.6-45.3-178.1-174.412.4000111F64 T66 E71 G72 D73 G79 I212 W214 L220 A221 L223 Q233 R234F64-W75 HydrophobicContact CB-CH2 3.93Å; F64-W75 HydrophobicContact CB-CZ3 3.91Å; F64-W75 AromaticContact CD1-CH2 3.94Å; F64-W75 HydrophobicContact CD1-CH2 3.94Å; F64-W75 HydrophobicContact CG-CH2 4.14Å; T66-W75 HydrophobicContact CG2-CE3 3.93Å; T66-W75 HydrophobicContact CG2-CZ3 4.12Å; E71-W75 WeakPolarHBondContact O-CB 3.44Å; E71-W75 PolarHBondContact O-N 2.85Å; G72-W75 PolarHBondContact O-N 3.43Å; G72-W75 VanDerWaalsContact O-N 3.16Å; D73-W75 VanDerWaalsContact C-N 3.27Å; D73-W75 PolarHBondContact O-N 3.34Å; W75-G79 WeakPolarHBondContact O-CA 3.37Å; W75-G79 PolarHBondContact O-N 3.19Å; W75-I212 HydrophobicContact CD2-CD1 4.04Å; W75-I212 HydrophobicContact CE3-CD1 3.54Å; W75-I212 HydrophobicContact CE3-CG1 4.28Å; W75-I212 HydrophobicContact CH2-CD1 4.05Å; W75-I212 HydrophobicContact CZ2-CD1 4.48Å; W75-I212 HydrophobicContact CZ3-CD1 3.56Å; W75-I212 HydrophobicContact CZ3-CG1 4.07Å; W75-W214 HydrophobicContact CH2-CZ3 4.44Å; W75-W214 HydrophobicContact CZ2-CE3 4.29Å; W75-W214 AromaticContact CZ2-CZ3 3.91Å; W75-W214 HydrophobicContact CZ2-CZ3 3.91Å; W75-L220 HydrophobicContact CD2-CD2 4.19Å; W75-L220 HydrophobicContact CG-CD2 4.09Å; W75-L220 HydrophobicContact CZ2-CD2 4.4Å; W75-A221 VanDerWaalsContact CD1-O 3.28Å; W75-A221 PolarHBondContact NE1-O 2.98Å; W75-L223 HydrophobicContact CB-CB 3.95Å; W75-L223 HydrophobicContact CB-CD2 4.02Å; W75-L223 HydrophobicContact CG-CB 3.83Å; W75-Q233 HydrophobicContact CH2-CB 4.02Å; W75-Q233 HydrophobicContact CZ2-CB 3.71Å; W75-Q233 WeakPolarHBondContact CZ2-O 3.39Å; W75-R234 HydrophobicContact CH2-CB 3.74Å; W75-R234 HydrophobicContact CH2-CG 4.48Å; W75-R234 HydrophobicContact CZ2-CB 4.26Å; W75-R234 HydrophobicContact CZ3-CB 3.91Å; W75-R234 HydrophobicContact CZ3-CG 4.16Å
76V98.9Very high98.3Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-63.6-47.6178.31770000111.3G72 D73 T80 L141 H173 F195 I212 L220G72-V76 WeakPolarHBondContact O-CG2 3.2Å; G72-V76 PolarHBondContact O-N 3.46Å; D73-V76 PolarHBondContact O-N 3Å; V76-T80 WeakPolarHBondContact O-CB 3.46Å; V76-T80 PolarHBondContact O-N 3.08Å; V76-T80 PolarHBondContact O-OG1 3.12Å; V76-L141 HydrophobicContact CG1-CD1 4.49Å; V76-H173 HydrophobicContact CG1-CB 3.71Å; V76-F195 HydrophobicContact CB-CB 4.49Å; V76-F195 HydrophobicContact CG1-CB 3.75Å; V76-F195 HydrophobicContact CG1-CD1 4.38Å; V76-F195 HydrophobicContact CG1-CD2 3.96Å; V76-F195 HydrophobicContact CG1-CG 3.77Å; V76-F195 HydrophobicContact CG2-CB 3.84Å; V76-F195 HydrophobicContact CG2-CD1 4.12Å; V76-F195 HydrophobicContact CG2-CG 4.1Å; V76-I212 HydrophobicContact CG2-CD1 4.42Å; V76-I212 HydrophobicContact CG2-CG2 4.45Å; V76-L220 HydrophobicContact CG2-CD2 4.45Å; V76-L220 WeakPolarHBondContact O-CD1 3.46Å
77L98.9Very high98.3Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-67.1-56.8-178-89.971.5000111.8D73 T80 A81 V101 T104 A105 L108 L141D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 VanDerWaalsContact O-CD1 3.3Å; D73-L77 WeakPolarHBondContact O-CD1 3.46Å; D73-L77 PolarHBondContact O-N 2.93Å; L77-T80 PolarHBondContact O-N 3.09Å; L77-A81 PolarHBondContact O-N 3.07Å; L77-V101 HydrophobicContact CD1-CG1 4.26Å; L77-V101 HydrophobicContact CD1-CG2 4.45Å; L77-V101 HydrophobicContact CD2-CG1 3.85Å; L77-T104 HydrophobicContact CB-CG2 3.66Å; L77-T104 HydrophobicContact CD2-CG2 3.78Å; L77-T104 HydrophobicContact CG-CG2 4.36Å; L77-A105 HydrophobicContact CD2-CB 4.39Å; L77-L108 HydrophobicContact CB-CD1 4.08Å; L77-L141 HydrophobicContact CB-CD2 4.41Å; L77-L141 HydrophobicContact CD1-CD2 4.05Å; L77-L141 HydrophobicContact CG-CD2 3.73Å
78K98.8Very high98.2Very high39 Ų3939.6 Ų39.617%0.1719%0.19CC..Hα-helixtrans-67.9-40.9-177.6-64.1171.1174.2171.40111.3N74 T80 A81 I82 T104 L108 L223N74-K78 HydrophobicContact CB-CD 4.5Å; N74-K78 WeakPolarHBondContact O-CB 3.35Å; N74-K78 WeakPolarHBondContact O-CG 3.34Å; N74-K78 PolarHBondContact O-N 2.85Å; N74-K78 VanDerWaalsContact OD1-CE 3.31Å; N74-K78 WeakPolarHBondContact OD1-CE 3.33Å; N74-K78 PolarHBondContact OD1-NZ 3.12Å; K78-T80 VanDerWaalsContact C-N 3.27Å; K78-T80 PolarHBondContact O-N 3.19Å; K78-A81 PolarHBondContact O-N 2.95Å; K78-I82 WeakPolarHBondContact O-CB 3.44Å; K78-I82 VanDerWaalsContact O-CG1 3.26Å; K78-I82 WeakPolarHBondContact O-CG1 3.4Å; K78-I82 PolarHBondContact O-N 3.44Å; K78-T104 HydrophobicContact CD-CG2 4.4Å; K78-T104 HydrophobicContact CG-CG2 3.93Å; K78-L108 HydrophobicContact CG-CD2 4.22Å; K78-L223 HydrophobicContact CB-CD1 4.41Å; K78-L223 HydrophobicContact CD-CD1 3.83Å
79G98.6Very high98.2Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-61.7-37.2177.300000112W75 A83 L220 A221W75-G79 WeakPolarHBondContact O-CA 3.37Å; W75-G79 PolarHBondContact O-N 3.19Å; G79-A83 WeakPolarHBondContact O-CB 3.23Å; G79-A83 PolarHBondContact O-N 3.32Å; G79-L220 VanDerWaalsContact C-CD1 3.46Å; G79-A221 WeakPolarHBondContact CA-O 3.47Å; G79-A221 WeakPolarHBondContact O-CB 3.4Å; G79-A221 PolarHBondContact O-N 3.3Å; G79-A221 VanDerWaalsContact O-N 3.12Å
80T98.7Very high98.2Very high0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-68.8-48.4174.5-65.80000111.3V76 L77 K78 I82 A83 K84 I140 L141 H171 L220V76-T80 WeakPolarHBondContact O-CB 3.46Å; V76-T80 PolarHBondContact O-N 3.08Å; V76-T80 PolarHBondContact O-OG1 3.12Å; L77-T80 PolarHBondContact O-N 3.09Å; K78-T80 VanDerWaalsContact C-N 3.27Å; K78-T80 PolarHBondContact O-N 3.19Å; T80-I82 VanDerWaalsContact C-N 3.28Å; T80-I82 PolarHBondContact O-N 3.19Å; T80-A83 PolarHBondContact O-N 3.01Å; T80-K84 HydrophobicContact CG2-CD 3.61Å; T80-K84 HydrophobicContact CG2-CG 4.35Å; T80-K84 WeakPolarHBondContact O-CB 3.46Å; T80-K84 PolarHBondContact O-N 3.47Å; T80-I140 HydrophobicContact CG2-CD1 4.38Å; T80-L141 HydrophobicContact CG2-CB 3.95Å; T80-L141 HydrophobicContact CG2-CD1 4.18Å; T80-L141 HydrophobicContact CG2-CG 4.5Å; T80-H171 HydrophobicContact CG2-CB 4.11Å; T80-H171 VanDerWaalsContact CG2-ND1 3.3Å; T80-H171 WeakPolarHBondContact CG2-ND1 3.47Å; T80-H171 PolarHBondContact OG1-ND1 2.78Å; T80-L220 VanDerWaalsContact N-CD1 3.33Å; T80-L220 WeakPolarHBondContact OG1-CD1 3.42Å
81A98.5Very high98.2Very high10 Ų1038.2 Ų38.28%0.08318%0.176CC..Hα-helixtrans-57.4-40.5178.200000112.4L77 K78 R85 L108 I140L77-A81 PolarHBondContact O-N 3.07Å; K78-A81 PolarHBondContact O-N 2.95Å; A81-R85 WeakPolarHBondContact O-CB 3.34Å; A81-R85 PolarHBondContact O-N 2.89Å; A81-L108 HydrophobicContact CB-CD1 4.22Å; A81-L108 HydrophobicContact CB-CD2 3.8Å; A81-I140 HydrophobicContact CB-CD1 4.41Å
82I98Very high98.2Very high110 Ų11037.2 Ų37.256%0.56417%0.172SC*.Hα-helixtrans-71.6-50.4176.6-65.9164.2000111K78 T80 K84 A221K78-I82 WeakPolarHBondContact O-CB 3.44Å; K78-I82 VanDerWaalsContact O-CG1 3.26Å; K78-I82 WeakPolarHBondContact O-CG1 3.4Å; K78-I82 PolarHBondContact O-N 3.44Å; T80-I82 VanDerWaalsContact C-N 3.28Å; T80-I82 PolarHBondContact O-N 3.19Å; I82-K84 VanDerWaalsContact C-N 3.26Å; I82-K84 PolarHBondContact O-N 3.42Å; I82-A221 HydrophobicContact CB-CB 3.82Å; I82-A221 HydrophobicContact CG2-CB 3.61Å
83A97.6Very high98.2Very high12 Ų1237.4 Ų37.410%0.09917%0.173CC..Hα-helixtrans-67.8-25.2-173.500000113.9G79 T80 K219 A221G79-A83 WeakPolarHBondContact O-CB 3.23Å; G79-A83 PolarHBondContact O-N 3.32Å; T80-A83 PolarHBondContact O-N 3.01Å; A83-K219 HydrophobicContact CB-CG 4.3Å; A83-A221 HydrophobicContact CB-CB 4.14Å
84K97.8Very high98.2Very high25 Ų2537.5 Ų37.511%0.10917%0.173CC..THydrogen-bonded Turntrans-112.910.1-175.3-58.7178.979.181.70114T80 I82 E86 Y87 G88 I140 T169T80-K84 HydrophobicContact CG2-CD 3.61Å; T80-K84 HydrophobicContact CG2-CG 4.35Å; T80-K84 WeakPolarHBondContact O-CB 3.46Å; T80-K84 PolarHBondContact O-N 3.47Å; I82-K84 VanDerWaalsContact C-N 3.26Å; I82-K84 PolarHBondContact O-N 3.42Å; K84-E86 PolarHBondContact O-N 2.95Å; K84-Y87 HydrophobicContact CB-CD2 4.11Å; K84-Y87 WeakPolarHBondContact O-CB 3.11Å; K84-Y87 PolarHBondContact O-N 3.19Å; K84-G88 PolarHBondContact O-N 2.88Å; K84-I140 HydrophobicContact CB-CB 4.13Å; K84-I140 HydrophobicContact CB-CD1 4.38Å; K84-I140 HydrophobicContact CB-CG2 3.89Å; K84-I140 HydrophobicContact CD-CB 4Å; K84-I140 HydrophobicContact CD-CG2 4.41Å; K84-T169 VanDerWaalsContact CE-O 3.24Å; K84-T169 WeakPolarHBondContact CE-O 3.37Å; K84-T169 PolarHBondContact NZ-O 3.16Å
85R96.2Very high98.1Very high191 Ų19137.3 Ų37.372%0.72117%0.174SC*.THydrogen-bonded Turntrans-52.3-32.3-176.1-165.3179.5-159.1172.49.2114.2A81 Y87A81-R85 WeakPolarHBondContact O-CB 3.34Å; A81-R85 PolarHBondContact O-N 2.89Å; R85-Y87 VanDerWaalsContact C-N 3.28Å; R85-Y87 PolarHBondContact O-N 2.89Å
86E96.4Very high98Very high142 Ų14237.4 Ų37.466%0.66417%0.174SC*.THydrogen-bonded Turntrans-72.3-19.5177.865.9-176.1128.900113.9K84K84-E86 PolarHBondContact O-N 2.95Å
87Y96.7Very high97.9Very high149 Ų14938.2 Ų38.258%0.58418%0.178SC*.THydrogen-bonded Turntrans-100.9-20.1-177.5-52.5-62.4000113.1K84 R85K84-Y87 HydrophobicContact CB-CD2 4.11Å; K84-Y87 WeakPolarHBondContact O-CB 3.11Å; K84-Y87 PolarHBondContact O-N 3.19Å; R85-Y87 VanDerWaalsContact C-N 3.28Å; R85-Y87 PolarHBondContact O-N 2.89Å
88G97.6Very high97.8Very high11 Ų1141.1 Ų41.111%0.11319%0.192CC..  trans162.8175.5-179.400000112.3K84 E138K84-G88 PolarHBondContact O-N 2.88Å; G88-E138 WeakPolarHBondContact CA-O 3.45Å
89D97.8Very high97.6Very high68 Ų6842.1 Ų42.136%0.36420%0.202SC..  trans-140.111.6-172.958.11.6000112.4C113 E114 E138D89-C113 CarbonylContact O-C 3.57Å; D89-C113 WeakPolarHBondContact O-CA 3.5Å; D89-C113 WeakPolarHBondContact O-CB 3.37Å; D89-E114 PolarHBondContact O-N 2.93Å; D89-E138 PolarHBondContact N-O 3.41Å
90H98.8Very high97.6Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-100129.3-178177.2-119.2000112.6E114 S116 L134 E138 T139 I140H90-E114 CarbonylContact C-O 3.54Å; H90-E114 WeakPolarHBondContact CA-O 3.34Å; H90-E114 HydrophobicContact CB-CB 4.27Å; H90-S116 WeakPolarHBondContact NE2-CB 3.22Å; H90-S116 PolarHBondContact NE2-OG 3.07Å; H90-L134 PolarHBondContact CE1-O 3.45Å; H90-L134 VanDerWaalsContact CE1-O 3.26Å; H90-E138 HydrophobicContact CB-CG 3.73Å; H90-E138 PolarHBondContact N-O 3.16Å; H90-T139 PolarHBondContact ND1-OG1 2.71Å; H90-T139 CarbonylContact O-C 3.41Å; H90-T139 WeakPolarHBondContact O-CA 3.48Å; H90-I140 VanDerWaalsContact O-CG1 3.24Å; H90-I140 WeakPolarHBondContact O-CG1 3.31Å; H90-I140 PolarHBondContact O-N 3.26Å
91L98.8Very high97.6Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-117.1143.4176.4-63.581.3000110.3L108 C113 E114 V115 S116 I140 L141L91-L108 HydrophobicContact CD2-CD1 3.63Å; L91-C113 HydrophobicContact CD1-CB 3.74Å; L91-E114 PolarHBondContact N-O 2.76Å; L91-V115 CarbonylContact O-C 3.54Å; L91-V115 WeakPolarHBondContact O-CA 3.42Å; L91-S116 PolarHBondContact O-N 2.88Å; L91-I140 HydrophobicContact CD1-CD1 4.3Å; L91-I140 HydrophobicContact CD1-CG1 4.42Å; L91-I140 HydrophobicContact CG-CG1 4.47Å; L91-L141 HydrophobicContact CD2-CB 4.34Å; L91-L141 HydrophobicContact CD2-CD2 3.78Å; L91-L141 HydrophobicContact CG-CB 4.12Å; L91-L141 HydrophobicContact CG-CD2 4.44Å
92I98.9Very high97.5Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-112.2125168.7-55.1169.1000108.1S116 A118 L131 L134 I135 T139 L141 V142 S143I92-S116 WeakPolarHBondContact CA-O 3.37Å; I92-A118 HydrophobicContact CG2-CB 4.07Å; I92-L131 HydrophobicContact CG2-CG 4.31Å; I92-L134 HydrophobicContact CD1-CB 3.8Å; I92-L134 HydrophobicContact CG1-CB 4.21Å; I92-L134 HydrophobicContact CG2-CD1 4.17Å; I92-I135 HydrophobicContact CD1-CG1 3.81Å; I92-T139 HydrophobicContact CD1-CG2 3.91Å; I92-T139 HydrophobicContact CG1-CG2 4.14Å; I92-L141 PolarHBondContact N-O 3.1Å; I92-V142 HydrophobicContact CB-CG2 4.17Å; I92-V142 HydrophobicContact CD1-CG2 4.14Å; I92-V142 CarbonylContact O-C 3.11Å; I92-V142 VanDerWaalsContact O-CA 3.31Å; I92-V142 WeakPolarHBondContact O-CA 3.23Å; I92-S143 PolarHBondContact O-N 2.89Å
93I98.7Very high97.5Very high4 Ų443.8 Ų43.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-123.3154.817268.8161.7000110.5E97 V101 A105 V115 S116 I117 A118 S143I93-E97 HydrophobicContact CB-CG 4.18Å; I93-V101 HydrophobicContact CB-CG1 4.36Å; I93-V101 HydrophobicContact CG2-CG1 4.09Å; I93-A105 HydrophobicContact CD1-CB 3.64Å; I93-A105 HydrophobicContact CG1-CB 4.39Å; I93-A105 HydrophobicContact CG2-CB 4.19Å; I93-V115 HydrophobicContact CG1-CG1 4.16Å; I93-S116 PolarHBondContact N-O 3.33Å; I93-I117 HydrophobicContact CD1-CD1 3.76Å; I93-I117 HydrophobicContact CG1-CD1 3.42Å; I93-I117 VanDerWaalsContact CG1-CD1 3.42Å; I93-I117 CarbonylContact O-C 3.37Å; I93-I117 WeakPolarHBondContact O-CA 3.35Å; I93-A118 PolarHBondContact O-N 2.78Å; I93-S143 VanDerWaalsContact CA-O 3.31Å; I93-S143 WeakPolarHBondContact CA-O 3.31Å
94S98.3Very high97.5Very high2 Ų243.5 Ų43.51%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-68.8156.3171.593.40000112.1V96 E97 S143S94-V96 PolarHBondContact O-N 3.32Å; S94-V96 WeakPolarHBondContact OG-CG2 3.37Å; S94-V96 PolarHBondContact OG-N 2.85Å; S94-E97 VanDerWaalsContact CB-OE1 3.31Å; S94-E97 WeakPolarHBondContact CB-OE1 3.33Å; S94-E97 WeakPolarHBondContact O-CG 2.98Å; S94-E97 WeakPolarHBondContact OG-CG 3.06Å; S94-E97 PolarHBondContact OG-N 2.96Å; S94-E97 PolarHBondContact OG-OE1 3.42Å; S94-S143 PolarHBondContact N-O 2.94Å; S94-S143 VanDerWaalsContact N-O 3.14Å
95S97.2Very high97.5Very high20 Ų2042.4 Ų42.414%0.1420%0.197CC..THydrogen-bonded Turntrans-73.7-4.7173.843.40000114A118 P119 V120S95-A118 PolarHBondContact N-O 2.96Å; S95-A118 PolarHBondContact OG-O 3.17Å; S95-P119 WeakPolarHBondContact OG-CA 3.44Å; S95-V120 PolarHBondContact OG-N 3.25Å
96V96.7Very high97.6Very high3 Ų336.4 Ų36.42%0.01818%0.177CC..THydrogen-bonded Turntrans-119.714.4-173.9-61.60000112.4S94 V120 M145 N148 T334 A337S94-V96 PolarHBondContact O-N 3.32Å; S94-V96 WeakPolarHBondContact OG-CG2 3.37Å; S94-V96 PolarHBondContact OG-N 2.85Å; V96-V120 HydrophobicContact CB-CG1 4.36Å; V96-V120 HydrophobicContact CG1-CB 4.25Å; V96-V120 HydrophobicContact CG1-CG1 3.58Å; V96-V120 HydrophobicContact CG1-CG2 3.7Å; V96-V120 HydrophobicContact CG2-CG1 3.82Å; V96-M145 HydrophobicContact CG2-SD 3.97Å; V96-M145 WeakPolarHBondContact O-CE 3.49Å; V96-N148 PolarHBondContact O-ND2 3.12Å; V96-T334 HydrophobicContact CB-CG2 4.06Å; V96-T334 HydrophobicContact CG1-CG2 3.72Å; V96-A337 HydrophobicContact CG1-CB 3.81Å
97E97.5Very high97.7Very high16 Ų1633.5 Ų33.58%0.07516%0.163CC..  trans-60.9153.1-179.3-70.5-56.1103.800113I93 S94 V101 S143 V144 M145I93-E97 HydrophobicContact CB-CG 4.18Å; S94-E97 VanDerWaalsContact CB-OE1 3.31Å; S94-E97 WeakPolarHBondContact CB-OE1 3.33Å; S94-E97 WeakPolarHBondContact O-CG 2.98Å; S94-E97 WeakPolarHBondContact OG-CG 3.06Å; S94-E97 PolarHBondContact OG-N 2.96Å; S94-E97 PolarHBondContact OG-OE1 3.42Å; E97-V101 HydrophobicContact CB-CB 3.91Å; E97-V101 HydrophobicContact CB-CG1 3.92Å; E97-V101 HydrophobicContact CG-CB 4.18Å; E97-V101 HydrophobicContact CG-CG1 3.67Å; E97-V101 WeakPolarHBondContact OE2-CG1 3.34Å; E97-S143 PolarHBondContact OE2-OG 3.48Å; E97-V144 WeakPolarHBondContact OE1-CA 3.44Å; E97-M145 WeakPolarHBondContact OE1-CG 3.33Å; E97-M145 PolarHBondContact OE1-N 2.84Å; E97-M145 PolarHBondContact OE2-N 3.33Å
98H96.3Very high97.7Very high62 Ų6226.8 Ų26.829%0.28714%0.138SC..  trans-62.2149169.3178.9-101.8000110.4A100 V101 S102 M145H98-A100 WeakPolarHBondContact ND1-CB 3.44Å; H98-A100 PolarHBondContact ND1-N 3.07Å; H98-A100 VanDerWaalsContact ND1-N 3.12Å; H98-A100 PolarHBondContact O-N 2.94Å; H98-V101 PolarHBondContact O-N 3.18Å; H98-S102 PolarHBondContact O-N 2.87Å; H98-S102 VanDerWaalsContact O-N 3.1Å; H98-M145 HydrophobicContact CB-CE 4.48Å
99P95.5Very high97.8Very high60 Ų6032.9 Ų32.939%0.3916%0.161SC..Hα-helixtrans-52.3-25.3178-32.938.1000115.7V101 S102 R103P99-V101 VanDerWaalsContact C-N 3.26Å; P99-V101 PolarHBondContact O-N 3.22Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; P99-R103 HydrophobicContact CB-CG 4.46Å; P99-R103 VanDerWaalsContact O-CB 3.23Å; P99-R103 WeakPolarHBondContact O-CB 3.44Å; P99-R103 WeakPolarHBondContact O-CG 3.12Å; P99-R103 PolarHBondContact O-N 3.18Å
100A97.4Very high97.8Very high7 Ų737.6 Ų37.66%0.05818%0.181CC..Hα-helixtrans-64.5-29.2174.400000113.3T70 D73 H98 T104T70-A100 HydrophobicContact CG2-CB 3.91Å; D73-A100 HydrophobicContact CB-CB 4Å; D73-A100 VanDerWaalsContact OD2-CB 3.29Å; D73-A100 WeakPolarHBondContact OD2-CB 3.43Å; H98-A100 WeakPolarHBondContact ND1-CB 3.44Å; H98-A100 PolarHBondContact ND1-N 3.07Å; H98-A100 VanDerWaalsContact ND1-N 3.12Å; H98-A100 PolarHBondContact O-N 2.94Å; A100-T104 VanDerWaalsContact O-CB 3.23Å; A100-T104 WeakPolarHBondContact O-CB 3.3Å; A100-T104 PolarHBondContact O-OG1 3.45Å
101V98.5Very high97.7Very high0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-91.6-52.1174.8173.80000110.1D73 L77 I93 E97 H98 P99 R103 T104 A105D73-V101 HydrophobicContact CB-CG2 3.75Å; L77-V101 HydrophobicContact CD1-CG1 4.26Å; L77-V101 HydrophobicContact CD1-CG2 4.45Å; L77-V101 HydrophobicContact CD2-CG1 3.85Å; I93-V101 HydrophobicContact CB-CG1 4.36Å; I93-V101 HydrophobicContact CG2-CG1 4.09Å; E97-V101 HydrophobicContact CB-CB 3.91Å; E97-V101 HydrophobicContact CB-CG1 3.92Å; E97-V101 HydrophobicContact CG-CB 4.18Å; E97-V101 HydrophobicContact CG-CG1 3.67Å; E97-V101 WeakPolarHBondContact OE2-CG1 3.34Å; H98-V101 PolarHBondContact O-N 3.18Å; P99-V101 VanDerWaalsContact C-N 3.26Å; P99-V101 PolarHBondContact O-N 3.22Å; V101-R103 PolarHBondContact O-N 2.92Å; V101-T104 WeakPolarHBondContact O-CB 3.19Å; V101-T104 PolarHBondContact O-N 3.08Å; V101-T104 VanDerWaalsContact O-N 3.16Å; V101-A105 PolarHBondContact O-N 2.68Å
102S97.3Very high97.6Very high26 Ų2645.6 Ų45.618%0.18224%0.235CC..Hα-helixtrans-62.1-46.7-174.360.80000112.9H98 P99 T104 A105 E106H98-S102 PolarHBondContact O-N 2.87Å; H98-S102 VanDerWaalsContact O-N 3.1Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; S102-T104 VanDerWaalsContact C-N 3.3Å; S102-T104 PolarHBondContact O-N 3.38Å; S102-A105 WeakPolarHBondContact O-CB 3.22Å; S102-A105 PolarHBondContact O-N 2.73Å; S102-E106 PolarHBondContact O-N 2.86Å
103R97Very high97.6Very high122 Ų12246.5 Ų46.546%0.4624%0.241SC..Hα-helixtrans-71.5-26177.1-60.6-171.2173.5-171.12.6113.1P99 V101 Q107 D331P99-R103 HydrophobicContact CB-CG 4.46Å; P99-R103 VanDerWaalsContact O-CB 3.23Å; P99-R103 WeakPolarHBondContact O-CB 3.44Å; P99-R103 WeakPolarHBondContact O-CG 3.12Å; P99-R103 PolarHBondContact O-N 3.18Å; V101-R103 PolarHBondContact O-N 2.92Å; R103-Q107 PolarHBondContact O-N 2.76Å; R103-D331 IonicContact CZ-OD1 2.85Å; R103-D331 IonicContact CZ-OD2 3.34Å; R103-D331 IonicContact NE-OD1 3.42Å; R103-D331 PolarHBondContact NE-OD1 3.13Å; R103-D331 IonicContact NE-OD2 2.72Å; R103-D331 IonicContact NH2-OD1 3.96Å; R103-D331 IonicContact NH2-OD2 3.73Å; R103-D331 PolarHBondContact NH2-OD2 2.64Å
104T98.4Very high97.6Very high6 Ų650.9 Ų50.94%0.03726%0.262CS..Hα-helixtrans-68.6-40.7171.1-65.90000110.8N74 L77 K78 A100 V101 S102 Q107 L108N74-T104 VanDerWaalsContact CG-OG1 3.31Å; N74-T104 PolarHBondContact ND2-OG1 2.95Å; N74-T104 VanDerWaalsContact ND2-OG1 3.15Å; N74-T104 PolarHBondContact OD1-OG1 2.75Å; L77-T104 HydrophobicContact CB-CG2 3.66Å; L77-T104 HydrophobicContact CD2-CG2 3.78Å; L77-T104 HydrophobicContact CG-CG2 4.36Å; K78-T104 HydrophobicContact CD-CG2 4.4Å; K78-T104 HydrophobicContact CG-CG2 3.93Å; A100-T104 VanDerWaalsContact O-CB 3.23Å; A100-T104 WeakPolarHBondContact O-CB 3.3Å; A100-T104 PolarHBondContact O-OG1 3.45Å; V101-T104 WeakPolarHBondContact O-CB 3.19Å; V101-T104 PolarHBondContact O-N 3.08Å; V101-T104 VanDerWaalsContact O-N 3.16Å; S102-T104 VanDerWaalsContact C-N 3.3Å; S102-T104 PolarHBondContact O-N 3.38Å; T104-Q107 PolarHBondContact O-N 3.29Å; T104-L108 HydrophobicContact CG2-CD1 4.27Å; T104-L108 WeakPolarHBondContact O-CG 3.49Å; T104-L108 PolarHBondContact O-N 3.42Å
105A98.2Very high97.6Very high1 Ų152.2 Ų52.21%0.00827%0.27CS..Hα-helixtrans-65.1-40.5174.800000111.6L77 I93 V101 S102 Q107 L108 K109 V115L77-A105 HydrophobicContact CD2-CB 4.39Å; I93-A105 HydrophobicContact CD1-CB 3.64Å; I93-A105 HydrophobicContact CG1-CB 4.39Å; I93-A105 HydrophobicContact CG2-CB 4.19Å; V101-A105 PolarHBondContact O-N 2.68Å; S102-A105 WeakPolarHBondContact O-CB 3.22Å; S102-A105 PolarHBondContact O-N 2.73Å; A105-Q107 PolarHBondContact O-N 2.7Å; A105-L108 PolarHBondContact O-N 2.76Å; A105-K109 PolarHBondContact O-N 3.48Å; A105-V115 HydrophobicContact CB-CG1 3.96Å; A105-V115 HydrophobicContact CB-CG2 4.16Å; A105-V115 WeakPolarHBondContact O-CG2 3.42Å
106E97.3Very high97.7Very high66 Ų6651.9 Ų51.931%0.30827%0.268SS..Hα-helixtrans-57.5-46.9171.4-73.4168-153.600112.1S102 L108 K109 E110 V330S102-E106 PolarHBondContact O-N 2.86Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.63Å; E106-K109 WeakPolarHBondContact O-CB 3.24Å; E106-K109 PolarHBondContact O-N 3.09Å; E106-K109 VanDerWaalsContact O-N 3.16Å; E106-E110 PolarHBondContact O-N 3.27Å; E106-V330 HydrophobicContact CG-CG1 4.36Å; E106-V330 WeakPolarHBondContact OE1-CG1 3.35Å
107Q98.3Very high97.7Very high80 Ų8055.8 Ų55.837%0.37429%0.287SS..Hα-helixtrans-62-40.7175.7-179.1174.658.600111.9R103 T104 A105 K109 E110 L111R103-Q107 PolarHBondContact O-N 2.76Å; T104-Q107 PolarHBondContact O-N 3.29Å; A105-Q107 PolarHBondContact O-N 2.7Å; Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 2.91Å; Q107-E110 WeakPolarHBondContact O-CB 3.1Å; Q107-E110 PolarHBondContact O-N 3.27Å; Q107-L111 HydrophobicContact CG-CD1 4.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 3.03Å; Q107-L111 VanDerWaalsContact O-N 3.09Å
108L98.5Very high97.8Very high8 Ų855 Ų554%0.04228%0.284CS..Hα-helixtrans-63.8-34.6176-75.1172.3000111.8L77 K78 A81 L91 T104 A105 E106 L111 G112 C113L77-L108 HydrophobicContact CB-CD1 4.08Å; K78-L108 HydrophobicContact CG-CD2 4.22Å; A81-L108 HydrophobicContact CB-CD1 4.22Å; A81-L108 HydrophobicContact CB-CD2 3.8Å; L91-L108 HydrophobicContact CD2-CD1 3.63Å; T104-L108 HydrophobicContact CG2-CD1 4.27Å; T104-L108 WeakPolarHBondContact O-CG 3.49Å; T104-L108 PolarHBondContact O-N 3.42Å; A105-L108 PolarHBondContact O-N 2.76Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.63Å; L108-L111 CarbonylContact O-C 3.58Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 3.27Å; L108-L111 VanDerWaalsContact O-N 3.08Å; L108-G112 PolarHBondContact O-N 3.09Å; L108-C113 HydrophobicContact CB-CB 4.07Å; L108-C113 WeakPolarHBondContact O-CB 3.48Å; L108-C113 PolarHBondContact O-N 3.33Å
109K97.9Very high97.9Very high140 Ų14054 Ų5461%0.60928%0.283SS*.Hα-helixtrans-62-42.6171.9-171.1-178.9179.9176.80112.2A105 E106 Q107 L111 G112 C113 V115A105-K109 PolarHBondContact O-N 3.48Å; E106-K109 WeakPolarHBondContact O-CB 3.24Å; E106-K109 PolarHBondContact O-N 3.09Å; E106-K109 VanDerWaalsContact O-N 3.16Å; Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 2.91Å; K109-L111 PolarHBondContact O-N 2.94Å; K109-G112 PolarHBondContact O-N 3.12Å; K109-G112 VanDerWaalsContact O-N 3.12Å; K109-C113 WeakPolarHBondContact CA-O 3.47Å; K109-V115 HydrophobicContact CB-CG2 4.26Å
110E97.9Very high98Very high166 Ų16651.3 Ų51.378%0.77627%0.265SS*.Hα-helixtrans-61.9-27.5172.9-64.8176.317200112.5E106 Q107 G112E106-E110 PolarHBondContact O-N 3.27Å; Q107-E110 WeakPolarHBondContact O-CB 3.1Å; Q107-E110 PolarHBondContact O-N 3.27Å; E110-G112 VanDerWaalsContact C-N 3.33Å
111L97.2Very high98Very high116 Ų11652.6 Ų52.661%0.60727%0.271SS*.THydrogen-bonded Turntrans-89.56.4177.4-64.4173.5000114.1Q107 L108 K109Q107-L111 HydrophobicContact CG-CD1 4.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 3.03Å; Q107-L111 VanDerWaalsContact O-N 3.09Å; L108-L111 CarbonylContact O-C 3.58Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 3.27Å; L108-L111 VanDerWaalsContact O-N 3.08Å; K109-L111 PolarHBondContact O-N 2.94Å
112G97.6Very high97.9Very high52 Ų5258.7 Ų58.754%0.53630%0.3SS..THydrogen-bonded Turntrans98.95.9172.800000115.7L108 K109 E110L108-G112 PolarHBondContact O-N 3.09Å; K109-G112 PolarHBondContact O-N 3.12Å; K109-G112 VanDerWaalsContact O-N 3.12Å; E110-G112 VanDerWaalsContact C-N 3.33Å
113C98.3Very high97.8Very high19 Ų1960.4 Ų60.413%0.12831%0.307CS..  trans-75.3151.3169-670000111.5D89 L91 L108 K109D89-C113 CarbonylContact O-C 3.57Å; D89-C113 WeakPolarHBondContact O-CA 3.5Å; D89-C113 WeakPolarHBondContact O-CB 3.37Å; L91-C113 HydrophobicContact CD1-CB 3.74Å; L108-C113 HydrophobicContact CB-CB 4.07Å; L108-C113 WeakPolarHBondContact O-CB 3.48Å; L108-C113 PolarHBondContact O-N 3.33Å; K109-C113 WeakPolarHBondContact CA-O 3.47Å
114E98.4Very high97.8Very high96 Ų9654.6 Ų54.645%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-87.8142.6162.8-69.1-158.9175.500110.3D89 H90 L91 R136D89-E114 PolarHBondContact O-N 2.93Å; H90-E114 CarbonylContact C-O 3.54Å; H90-E114 WeakPolarHBondContact CA-O 3.34Å; H90-E114 HydrophobicContact CB-CB 4.27Å; L91-E114 PolarHBondContact N-O 2.76Å; E114-R136 IonicContact OE2-CZ 2.93Å; E114-R136 IonicContact OE2-NH1 3.83Å; E114-R136 PolarHBondContact OE2-NH1 2.86Å
115V98.5Very high97.8Very high30 Ų3056 Ų5618%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-130.2117.2177.11800000109.4L91 I93 A105 K109 I117L91-V115 CarbonylContact O-C 3.54Å; L91-V115 WeakPolarHBondContact O-CA 3.42Å; I93-V115 HydrophobicContact CG1-CG1 4.16Å; A105-V115 HydrophobicContact CB-CG1 3.96Å; A105-V115 HydrophobicContact CB-CG2 4.16Å; A105-V115 WeakPolarHBondContact O-CG2 3.42Å; K109-V115 HydrophobicContact CB-CG2 4.26Å; V115-I117 HydrophobicContact CG1-CD1 3.81Å
116S98.6Very high97.8Very high14 Ų1456.2 Ų56.210%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-96.1141.1167.2-69.10000110.5H90 L91 I92 I93H90-S116 WeakPolarHBondContact NE2-CB 3.22Å; H90-S116 PolarHBondContact NE2-OG 3.07Å; L91-S116 PolarHBondContact O-N 2.88Å; I92-S116 WeakPolarHBondContact CA-O 3.37Å; I93-S116 PolarHBondContact N-O 3.33Å
117I98.2Very high97.9Very high84 Ų8456.5 Ų56.543%0.43129%0.292SS..EExtended strand (participates in β ladder)trans-106.1115.7179.9-53.7-58.7000108.9I93 V115 P119I93-I117 HydrophobicContact CD1-CD1 3.76Å; I93-I117 HydrophobicContact CG1-CD1 3.42Å; I93-I117 VanDerWaalsContact CG1-CD1 3.42Å; I93-I117 CarbonylContact O-C 3.37Å; I93-I117 WeakPolarHBondContact O-CA 3.35Å; V115-I117 HydrophobicContact CG1-CD1 3.81Å; I117-P119 WeakPolarHBondContact O-CD 3.4Å
118A98.5Very high97.9Very high0 Ų053.7 Ų53.70%028%0.28CS..EExtended strand (participates in β ladder)trans-74.3118.4173.800000109.8I92 I93 S95 V126 L131 L134I92-A118 HydrophobicContact CG2-CB 4.07Å; I93-A118 PolarHBondContact O-N 2.78Å; S95-A118 PolarHBondContact N-O 2.96Å; S95-A118 PolarHBondContact OG-O 3.17Å; A118-V126 HydrophobicContact CB-CG1 4.18Å; A118-L131 HydrophobicContact CB-CB 4.06Å; A118-L131 HydrophobicContact CB-CD1 3.96Å; A118-L131 HydrophobicContact CB-CG 4.18Å; A118-L134 HydrophobicContact CB-CD1 4.17Å
119P98Very high97.9Very high40 Ų4059.7 Ų59.726%0.2631%0.308SS..PPolyproline II helixtrans-75.5157.7-177.130.4-32.8000111.3S95 I117 K127 Q130S95-P119 WeakPolarHBondContact OG-CA 3.44Å; I117-P119 WeakPolarHBondContact O-CD 3.4Å; P119-K127 PolarHBondContact O-N 2.78Å; P119-Q130 HydrophobicContact CG-CB 4Å
120V98.2Very high97.9Very high5 Ų557.2 Ų57.23%0.0330%0.299CS..BIsolated β-bridgetrans-103.6169172.3-63.50000112S95 V96 G124 F125 V126 K127 A337 M338S95-V120 PolarHBondContact OG-N 3.25Å; V96-V120 HydrophobicContact CB-CG1 4.36Å; V96-V120 HydrophobicContact CG1-CB 4.25Å; V96-V120 HydrophobicContact CG1-CG1 3.58Å; V96-V120 HydrophobicContact CG1-CG2 3.7Å; V96-V120 HydrophobicContact CG2-CG1 3.82Å; V120-G124 WeakPolarHBondContact CG1-O 3.45Å; V120-F125 CarbonylContact C-O 3.52Å; V120-F125 WeakPolarHBondContact CA-O 3.45Å; V120-F125 WeakPolarHBondContact CB-O 3.27Å; V120-V126 HydrophobicContact CG1-CG2 4.03Å; V120-K127 WeakPolarHBondContact O-CE 3.41Å; V120-K127 PolarHBondContact O-NZ 3.42Å; V120-K127 VanDerWaalsContact O-NZ 3.17Å; V120-A337 HydrophobicContact CG2-CB 3.89Å; V120-A337 WeakPolarHBondContact CG2-O 3.35Å; V120-M338 HydrophobicContact CG2-CG 4.26Å
121D97.5Very high98Very high34 Ų3449.3 Ų49.318%0.18226%0.262CS..  trans-86.8-176.2167.676.11.6000112.2N123 G124 F125 K127D121-N123 PolarHBondContact O-N 3.39Å; D121-N123 WeakPolarHBondContact OD1-CA 3.48Å; D121-N123 WeakPolarHBondContact OD1-CB 3.21Å; D121-N123 PolarHBondContact OD1-N 2.9Å; D121-G124 PolarHBondContact O-N 3.42Å; D121-G124 PolarHBondContact OD1-N 3.21Å; D121-F125 PolarHBondContact N-O 2.95Å; D121-F125 PolarHBondContact OD1-N 3.19Å; D121-K127 VanDerWaalsContact CA-CE 3.49Å; D121-K127 HydrophobicContact CB-CG 4.36Å
122Q95.8Very high98Very high128 Ų12845.4 Ų45.460%0.59825%0.247SC*.THydrogen-bonded Turntrans-65-14.5179.969.7-78.92.300114.2M338Q122-M338 WeakPolarHBondContact O-CE 3.39Å
123N96Very high98.1Very high61 Ų6151.1 Ų51.133%0.32626%0.257SS..THydrogen-bonded Turntrans-99.2-6.6176.7-64-40.6000111.9D121 F125 F290D121-N123 PolarHBondContact O-N 3.39Å; D121-N123 WeakPolarHBondContact OD1-CA 3.48Å; D121-N123 WeakPolarHBondContact OD1-CB 3.21Å; D121-N123 PolarHBondContact OD1-N 2.9Å; N123-F125 HydrophobicContact CB-CD2 3.56Å; N123-F125 HydrophobicContact CB-CE2 3.53Å; N123-F290 HydrophobicContact CB-CE2 4.44Å; N123-F290 HydrophobicContact CB-CZ 4.22Å; N123-F290 WeakPolarHBondContact O-CZ 3.35Å
124G96.6Very high98.1Very high1 Ų152.2 Ų52.21%0.0126%0.261CS..SBendtrans90.813.6179.500000114V120 D121 Q155V120-G124 WeakPolarHBondContact CG1-O 3.45Å; D121-G124 PolarHBondContact O-N 3.42Å; D121-G124 PolarHBondContact OD1-N 3.21Å; G124-Q155 PolarHBondContact O-NE2 3.42Å
125F98.4Very high98.1Very high35 Ų3548.8 Ų48.815%0.15425%0.246CC..  trans-86.6135.4174.7-58.1-67.4000111.2V120 D121 N123 K127 A153 I154 D289 F290V120-F125 CarbonylContact C-O 3.52Å; V120-F125 WeakPolarHBondContact CA-O 3.45Å; V120-F125 WeakPolarHBondContact CB-O 3.27Å; D121-F125 PolarHBondContact N-O 2.95Å; D121-F125 PolarHBondContact OD1-N 3.19Å; N123-F125 HydrophobicContact CB-CD2 3.56Å; N123-F125 HydrophobicContact CB-CE2 3.53Å; F125-K127 PolarHBondContact O-N 2.99Å; F125-A153 HydrophobicContact CD1-CB 4Å; F125-A153 HydrophobicContact CE1-CB 3.79Å; F125-A153 HydrophobicContact CZ-CB 4.35Å; F125-I154 VanDerWaalsContact CD1-O 3.29Å; F125-I154 WeakPolarHBondContact CD1-O 3.34Å; F125-I154 VanDerWaalsContact CE1-O 3.22Å; F125-I154 WeakPolarHBondContact CE1-O 3.48Å; F125-D289 HydrophobicContact CE1-CB 4.03Å; F125-D289 WeakPolarHBondContact CE1-O 3.24Å; F125-D289 HydrophobicContact CZ-CB 3.99Å; F125-F290 AromaticContact CE2-CE2 3.81Å; F125-F290 HydrophobicContact CE2-CE2 3.81Å; F125-F290 HydrophobicContact CE2-CZ 4.34Å; F125-F290 AromaticContact CZ-CD2 3.97Å; F125-F290 HydrophobicContact CZ-CD2 3.97Å; F125-F290 AromaticContact CZ-CE2 3.49Å; F125-F290 HydrophobicContact CZ-CE2 3.49Å; F125-F290 VanDerWaalsContact CZ-CE2 3.49Å; F125-F290 HydrophobicContact CZ-CZ 4.12Å
126V98.7Very high98.1Very high5 Ų551.9 Ų51.93%0.0325%0.254CS..BIsolated β-bridgetrans-59.1128.2174.1168.90000110.1A118 V120 V128 L131 V144 I160A118-V126 HydrophobicContact CB-CG1 4.18Å; V120-V126 HydrophobicContact CG1-CG2 4.03Å; V126-V128 PolarHBondContact O-N 3.39Å; V126-L131 HydrophobicContact CG1-CB 4.2Å; V126-L131 HydrophobicContact CG1-CD1 3.82Å; V126-V144 HydrophobicContact CG2-CG1 3.91Å; V126-I160 HydrophobicContact CB-CD1 4.48Å; V126-I160 HydrophobicContact CG1-CD1 4.24Å
127K98.7Very high98Very high73 Ų7357.6 Ų57.632%0.31729%0.291SS..  trans-74.996.6174.3-67.4177.4177.6158.70109.6P119 V120 D121 F125 E129 Q130 L131P119-K127 PolarHBondContact O-N 2.78Å; V120-K127 WeakPolarHBondContact O-CE 3.41Å; V120-K127 PolarHBondContact O-NZ 3.42Å; V120-K127 VanDerWaalsContact O-NZ 3.17Å; D121-K127 VanDerWaalsContact CA-CE 3.49Å; D121-K127 HydrophobicContact CB-CG 4.36Å; F125-K127 PolarHBondContact O-N 2.99Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 PolarHBondContact O-N 3.43Å; K127-Q130 HydrophobicContact CB-CB 3.98Å; K127-Q130 HydrophobicContact CB-CG 3.92Å; K127-Q130 HydrophobicContact CD-CG 4.37Å; K127-Q130 WeakPolarHBondContact O-CA 2.95Å; K127-Q130 PolarHBondContact O-N 3.34Å; K127-L131 PolarHBondContact O-N 3.06Å
128V98.7Very high98Very high20 Ų2056.4 Ų56.412%0.12128%0.283CS..Hα-helixtrans-54.9-41.4-172.6-178.30000112.2V126 Q130 L131 A132 P156 A159 I160 V163V126-V128 PolarHBondContact O-N 3.39Å; V128-Q130 VanDerWaalsContact C-N 3.29Å; V128-Q130 PolarHBondContact O-N 3.41Å; V128-L131 PolarHBondContact O-N 3.26Å; V128-A132 WeakPolarHBondContact O-CB 3.16Å; V128-A132 PolarHBondContact O-N 2.95Å; V128-P156 HydrophobicContact CG2-CB 4.1Å; V128-P156 HydrophobicContact CG2-CG 3.65Å; V128-A159 HydrophobicContact CG1-CB 4.18Å; V128-A159 HydrophobicContact CG2-CB 3.9Å; V128-I160 HydrophobicContact CG1-CG1 4.5Å; V128-I160 HydrophobicContact CG2-CG1 4.18Å; V128-V163 HydrophobicContact CG1-CG2 3.71Å
129E98.5Very high98Very high135 Ų13556.7 Ų56.763%0.63129%0.285SS*.Hα-helixtrans-67.8-31.3179.2-56.976.2-168.400112.1K127 K133K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 PolarHBondContact O-N 3.43Å; E129-K133 VanDerWaalsContact O-CG 3.32Å; E129-K133 WeakPolarHBondContact O-CG 3.21Å; E129-K133 PolarHBondContact O-N 3.26Å
130Q98.5Very high98Very high87 Ų8754.9 Ų54.941%0.40727%0.273SS..Hα-helixtrans-76.9-38.6175.7-60.3-163.110.400110.8P119 K127 V128 A132 K133 L134P119-Q130 HydrophobicContact CG-CB 4Å; K127-Q130 HydrophobicContact CB-CB 3.98Å; K127-Q130 HydrophobicContact CB-CG 3.92Å; K127-Q130 HydrophobicContact CD-CG 4.37Å; K127-Q130 WeakPolarHBondContact O-CA 2.95Å; K127-Q130 PolarHBondContact O-N 3.34Å; V128-Q130 VanDerWaalsContact C-N 3.29Å; V128-Q130 PolarHBondContact O-N 3.41Å; Q130-A132 VanDerWaalsContact C-N 3.33Å; Q130-A132 PolarHBondContact O-N 2.95Å; Q130-K133 PolarHBondContact O-N 3.01Å; Q130-L134 WeakPolarHBondContact O-CG 3.36Å; Q130-L134 PolarHBondContact O-N 3.05Å
131L98.7Very high98.1Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-57.9-46.3170.8-178152.6000111.2I92 A118 V126 K127 V128 K133 L134 V142 V144 I160I92-L131 HydrophobicContact CG2-CG 4.31Å; A118-L131 HydrophobicContact CB-CB 4.06Å; A118-L131 HydrophobicContact CB-CD1 3.96Å; A118-L131 HydrophobicContact CB-CG 4.18Å; V126-L131 HydrophobicContact CG1-CB 4.2Å; V126-L131 HydrophobicContact CG1-CD1 3.82Å; K127-L131 PolarHBondContact O-N 3.06Å; V128-L131 PolarHBondContact O-N 3.26Å; L131-K133 VanDerWaalsContact C-N 3.27Å; L131-K133 PolarHBondContact O-N 3.18Å; L131-L134 WeakPolarHBondContact O-CB 3.35Å; L131-L134 PolarHBondContact O-N 3.2Å; L131-V142 HydrophobicContact CD1-CG1 3.99Å; L131-V142 HydrophobicContact CD2-CG1 4.4Å; L131-V144 HydrophobicContact CD1-CG2 3.98Å; L131-I160 HydrophobicContact CD1-CD1 4.23Å; L131-I160 HydrophobicContact CD1-CG1 4.3Å; L131-I160 HydrophobicContact CD1-CG2 4.28Å; L131-I160 HydrophobicContact CD2-CG2 4.25Å
132A98.5Very high98.1Very high35 Ų3553 Ų5329%0.28926%0.263SS..Hα-helixtrans-57.6-40178.700000112.2V128 Q130 L134 I135 V163V128-A132 WeakPolarHBondContact O-CB 3.16Å; V128-A132 PolarHBondContact O-N 2.95Å; Q130-A132 VanDerWaalsContact C-N 3.33Å; Q130-A132 PolarHBondContact O-N 2.95Å; A132-L134 PolarHBondContact O-N 3.24Å; A132-I135 WeakPolarHBondContact O-CB 3.25Å; A132-I135 PolarHBondContact O-N 3.37Å; A132-V163 HydrophobicContact CB-CG1 3.74Å; A132-V163 HydrophobicContact CB-CG2 4.4Å
133K98.6Very high98.3Very high171 Ų17146.9 Ų46.974%0.74323%0.234SC*.Hα-helixtrans-68.6-18.2177.1-71170.4-175.9177.80114.2E129 Q130 L131 I135E129-K133 VanDerWaalsContact O-CG 3.32Å; E129-K133 WeakPolarHBondContact O-CG 3.21Å; E129-K133 PolarHBondContact O-N 3.26Å; Q130-K133 PolarHBondContact O-N 3.01Å; L131-K133 VanDerWaalsContact C-N 3.27Å; L131-K133 PolarHBondContact O-N 3.18Å; K133-I135 VanDerWaalsContact C-N 3.33Å
134L98.6Very high98.4Very high42 Ų4244 Ų4422%0.2222%0.219CC..THydrogen-bonded Turntrans-82.4-12.8175.4-63.8171.8000112.1H90 I92 A118 Q130 L131 A132H90-L134 PolarHBondContact CE1-O 3.45Å; H90-L134 VanDerWaalsContact CE1-O 3.26Å; I92-L134 HydrophobicContact CD1-CB 3.8Å; I92-L134 HydrophobicContact CG1-CB 4.21Å; I92-L134 HydrophobicContact CG2-CD1 4.17Å; A118-L134 HydrophobicContact CB-CD1 4.17Å; Q130-L134 WeakPolarHBondContact O-CG 3.36Å; Q130-L134 PolarHBondContact O-N 3.05Å; L131-L134 WeakPolarHBondContact O-CB 3.35Å; L131-L134 PolarHBondContact O-N 3.2Å; A132-L134 PolarHBondContact O-N 3.24Å
135I98.7Very high98.5Very high25 Ų2544 Ų4413%0.12822%0.219CC..  trans-69.7133.8178.8-61.2174.2000109.9I92 A132 K133 V163 L164 I170I92-I135 HydrophobicContact CD1-CG1 3.81Å; A132-I135 WeakPolarHBondContact O-CB 3.25Å; A132-I135 PolarHBondContact O-N 3.37Å; K133-I135 VanDerWaalsContact C-N 3.33Å; I135-V163 HydrophobicContact CD1-CG1 3.8Å; I135-L164 HydrophobicContact CD1-CD2 3.79Å; I135-I170 HydrophobicContact CG2-CD1 3.71Å
136R97.8Very high98.5Very high95 Ų9542.4 Ų42.436%0.35821%0.212SC..  trans-136.3164.5-179.5-54.5177.9-166.4168.58.1109.6E114 E138 T139E114-R136 IonicContact OE2-CZ 2.93Å; E114-R136 IonicContact OE2-NH1 3.83Å; E114-R136 PolarHBondContact OE2-NH1 2.86Å; R136-E138 VanDerWaalsContact CB-CD 3.5Å; R136-E138 WeakPolarHBondContact CB-OE1 3.39Å; R136-E138 WeakPolarHBondContact CB-OE2 3.35Å; R136-E138 WeakPolarHBondContact CD-OE1 3.43Å; R136-E138 IonicContact NH1-OE1 3.8Å; R136-E138 PolarHBondContact O-N 2.85Å; R136-T139 PolarHBondContact N-OG1 3.42Å; R136-T139 WeakPolarHBondContact O-CB 3.39Å; R136-T139 PolarHBondContact O-N 2.76Å; R136-T139 PolarHBondContact O-OG1 2.89Å
137P97.2Very high98.5Very high134 Ų13442.3 Ų42.387%0.8721%0.211SC*.THydrogen-bonded Turntrans-54.3-33.5178.4-28.236.9000114.6
138E97.9Very high98.5Very high58 Ų5838.8 Ų38.827%0.27120%0.196SC..THydrogen-bonded Turntrans-87.80.8-179.769.6-79.9-174.700114.1G88 D89 H90 R136 I140G88-E138 WeakPolarHBondContact CA-O 3.45Å; D89-E138 PolarHBondContact N-O 3.41Å; H90-E138 HydrophobicContact CB-CG 3.73Å; H90-E138 PolarHBondContact N-O 3.16Å; R136-E138 VanDerWaalsContact CB-CD 3.5Å; R136-E138 WeakPolarHBondContact CB-OE1 3.39Å; R136-E138 WeakPolarHBondContact CB-OE2 3.35Å; R136-E138 WeakPolarHBondContact CD-OE1 3.43Å; R136-E138 IonicContact NH1-OE1 3.8Å; R136-E138 PolarHBondContact O-N 2.85Å; E138-I140 PolarHBondContact O-N 3.05Å
139T98.7Very high98.4Very high6 Ų639 Ų394%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-65.5124176.3-59.10000110H90 I92 R136 I170H90-T139 PolarHBondContact ND1-OG1 2.71Å; H90-T139 CarbonylContact O-C 3.41Å; H90-T139 WeakPolarHBondContact O-CA 3.48Å; I92-T139 HydrophobicContact CD1-CG2 3.91Å; I92-T139 HydrophobicContact CG1-CG2 4.14Å; R136-T139 PolarHBondContact N-OG1 3.42Å; R136-T139 WeakPolarHBondContact O-CB 3.39Å; R136-T139 PolarHBondContact O-N 2.76Å; R136-T139 PolarHBondContact O-OG1 2.89Å; T139-I170 HydrophobicContact CG2-CD1 3.87Å; T139-I170 HydrophobicContact CG2-CG1 4.41Å; T139-I170 HydrophobicContact CG2-CG2 4.08Å; T139-I170 WeakPolarHBondContact O-CG1 3.45Å
140I98.7Very high98.2Very high2 Ų234 Ų341%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-110.6-22.5-178.955.1162.8000113.7T80 A81 K84 H90 L91 E138 H171T80-I140 HydrophobicContact CG2-CD1 4.38Å; A81-I140 HydrophobicContact CB-CD1 4.41Å; K84-I140 HydrophobicContact CB-CB 4.13Å; K84-I140 HydrophobicContact CB-CD1 4.38Å; K84-I140 HydrophobicContact CB-CG2 3.89Å; K84-I140 HydrophobicContact CD-CB 4Å; K84-I140 HydrophobicContact CD-CG2 4.41Å; H90-I140 VanDerWaalsContact O-CG1 3.24Å; H90-I140 WeakPolarHBondContact O-CG1 3.31Å; H90-I140 PolarHBondContact O-N 3.26Å; L91-I140 HydrophobicContact CD1-CD1 4.3Å; L91-I140 HydrophobicContact CD1-CG1 4.42Å; L91-I140 HydrophobicContact CG-CG1 4.47Å; E138-I140 PolarHBondContact O-N 3.05Å; I140-H171 PolarHBondContact O-N 2.88Å
141L98.9Very high98.1Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-144.5139.1-178.1-175.270.7000111.3V76 L77 T80 L91 I92 H171 H173V76-L141 HydrophobicContact CG1-CD1 4.49Å; L77-L141 HydrophobicContact CB-CD2 4.41Å; L77-L141 HydrophobicContact CD1-CD2 4.05Å; L77-L141 HydrophobicContact CG-CD2 3.73Å; T80-L141 HydrophobicContact CG2-CB 3.95Å; T80-L141 HydrophobicContact CG2-CD1 4.18Å; T80-L141 HydrophobicContact CG2-CG 4.5Å; L91-L141 HydrophobicContact CD2-CB 4.34Å; L91-L141 HydrophobicContact CD2-CD2 3.78Å; L91-L141 HydrophobicContact CG-CB 4.12Å; L91-L141 HydrophobicContact CG-CD2 4.44Å; I92-L141 PolarHBondContact N-O 3.1Å; L141-H171 CarbonylContact C-O 3.56Å; L141-H171 WeakPolarHBondContact CA-O 3.34Å; L141-H171 HydrophobicContact CD1-CB 3.53Å; L141-H173 HydrophobicContact CD1-CB 4.03Å
142V98.9Very high98Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-114.4129.2155.8179.50000108.6I92 L131 V144 I160 L164 I170 H171 F172 H173I92-V142 HydrophobicContact CB-CG2 4.17Å; I92-V142 HydrophobicContact CD1-CG2 4.14Å; I92-V142 CarbonylContact O-C 3.11Å; I92-V142 VanDerWaalsContact O-CA 3.31Å; I92-V142 WeakPolarHBondContact O-CA 3.23Å; L131-V142 HydrophobicContact CD1-CG1 3.99Å; L131-V142 HydrophobicContact CD2-CG1 4.4Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V142-I160 HydrophobicContact CG1-CG2 4.43Å; V142-L164 HydrophobicContact CB-CD1 4Å; V142-L164 HydrophobicContact CG1-CD1 4.34Å; V142-L164 HydrophobicContact CG2-CD1 4.14Å; V142-L164 HydrophobicContact CG2-CD2 3.88Å; V142-I170 HydrophobicContact CG2-CG2 3.92Å; V142-H171 PolarHBondContact N-O 2.78Å; V142-F172 HydrophobicContact CB-CD2 4.18Å; V142-F172 HydrophobicContact CG1-CD2 4.2Å; V142-F172 HydrophobicContact CG1-CE2 4.2Å; V142-H173 PolarHBondContact O-N 3.29Å
143S98.9Very high98Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-123.6120175.4-176.10000110.8I92 I93 S94 E97 H173I92-S143 PolarHBondContact O-N 2.89Å; I93-S143 VanDerWaalsContact CA-O 3.31Å; I93-S143 WeakPolarHBondContact CA-O 3.31Å; S94-S143 PolarHBondContact N-O 2.94Å; S94-S143 VanDerWaalsContact N-O 3.14Å; E97-S143 PolarHBondContact OE2-OG 3.48Å; S143-H173 WeakPolarHBondContact CA-O 3.48Å; S143-H173 PolarHBondContact OG-ND1 2.95Å
144V98.9Very high98Very high0 Ų020.7 Ų20.70%011%0.107CC..  trans-138.6122.3175.7-179.80000109.1E97 V126 L131 V142 Q155 I157 I160 H173 V174E97-V144 WeakPolarHBondContact OE1-CA 3.44Å; V126-V144 HydrophobicContact CG2-CG1 3.91Å; L131-V144 HydrophobicContact CD1-CG2 3.98Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V144-Q155 HydrophobicContact CG1-CB 3.86Å; V144-Q155 HydrophobicContact CG1-CG 3.91Å; V144-I157 HydrophobicContact CB-CD1 4.02Å; V144-I157 HydrophobicContact CG1-CD1 3.84Å; V144-I160 HydrophobicContact CB-CD1 4.24Å; V144-I160 HydrophobicContact CG1-CD1 4.02Å; V144-I160 HydrophobicContact CG2-CD1 4.03Å; V144-H173 PolarHBondContact N-O 3.4Å; V144-V174 VanDerWaalsContact O-CA 3.3Å; V144-V174 WeakPolarHBondContact O-CA 3.33Å
145M98.7Very high98Very high2 Ų218.8 Ų18.81%0.0110%0.098CC..  trans-53.2146.1173.256.6170.234.100111.9V96 E97 H98 N148 Q155 D175V96-M145 HydrophobicContact CG2-SD 3.97Å; V96-M145 WeakPolarHBondContact O-CE 3.49Å; E97-M145 WeakPolarHBondContact OE1-CG 3.33Å; E97-M145 PolarHBondContact OE1-N 2.84Å; E97-M145 PolarHBondContact OE2-N 3.33Å; H98-M145 HydrophobicContact CB-CE 4.48Å; M145-N148 WeakPolarHBondContact SD-CA 3.19Å; M145-N148 HydrophobicContact SD-CB 3.59Å; M145-N148 VanDerWaalsContact SD-CB 3.59Å; M145-N148 PolarHBondContact SD-ND2 3.22Å; M145-Q155 HydrophobicContact CG-CG 4.1Å; M145-Q155 WeakPolarHBondContact O-CB 3.31Å; M145-Q155 WeakPolarHBondContact O-CG 3.38Å; M145-D175 CarbonylContact C-O 3.48Å; M145-D175 WeakPolarHBondContact CA-O 3.49Å; M145-D175 HydrophobicContact CB-CB 4.12Å
146G98.7Very high98Very high0 Ų019.4 Ų19.40%010%0.103CC..SBendtrans-74.2-40.1177.500000112.4Q155 D175G146-Q155 PolarHBondContact O-N 3.24Å; G146-D175 PolarHBondContact N-O 2.89Å
147V98.5Very high98Very high3 Ų314.9 Ų14.92%0.0189%0.086CC..BIsolated β-bridgetrans-139.6130.3178.8175.10000109.2N149 A153 I154 Q178 A179 V183 A291 I294V147-N149 PolarHBondContact O-N 3.14Å; V147-A153 WeakPolarHBondContact CA-O 3.29Å; V147-I154 HydrophobicContact CG2-CG1 4.18Å; V147-Q178 HydrophobicContact CB-CB 3.82Å; V147-Q178 HydrophobicContact CG1-CB 3.97Å; V147-A179 HydrophobicContact CG2-CB 3.89Å; V147-V183 HydrophobicContact CG2-CB 4.47Å; V147-V183 HydrophobicContact CG2-CG2 3.62Å; V147-A291 HydrophobicContact CG1-CB 3.68Å; V147-I294 HydrophobicContact CG1-CD1 4.49Å
148N97.8Very high98.1Very high0 Ų013.3 Ų13.30%07%0.067CC..  trans-71.1124.6175.2-178.7-88.6000111.8V96 M145 E150 M151 G152 A153 T334V96-N148 PolarHBondContact O-ND2 3.12Å; M145-N148 WeakPolarHBondContact SD-CA 3.19Å; M145-N148 HydrophobicContact SD-CB 3.59Å; M145-N148 VanDerWaalsContact SD-CB 3.59Å; M145-N148 PolarHBondContact SD-ND2 3.22Å; N148-E150 PolarHBondContact O-N 3Å; N148-E150 WeakPolarHBondContact OD1-CA 3.42Å; N148-E150 WeakPolarHBondContact OD1-CB 3.01Å; N148-E150 PolarHBondContact OD1-N 3.15Å; N148-M151 WeakPolarHBondContact OD1-CB 3.35Å; N148-M151 PolarHBondContact OD1-N 2.59Å; N148-G152 VanDerWaalsContact O-CA 3.27Å; N148-G152 WeakPolarHBondContact O-CA 3.39Å; N148-G152 PolarHBondContact O-N 3.06Å; N148-A153 HydrophobicContact CB-CB 4.42Å; N148-A153 PolarHBondContact N-O 2.78Å; N148-T334 PolarHBondContact ND2-OG1 3.28Å; N148-T334 VanDerWaalsContact ND2-OG1 3.08Å
149N96.4Very high98.1Very high23 Ų2312.3 Ų12.312%0.1237%0.069CC..THydrogen-bonded Turntrans-71.1-13.5-176.757.2-80.5000114.3V147 Q178 R350V147-N149 PolarHBondContact O-N 3.14Å; N149-Q178 HydrophobicContact CB-CG 3.59Å; N149-R350 WeakPolarHBondContact O-CD 3.39Å; N149-R350 PolarHBondContact O-NH1 2.75Å
150E95.2Very high98.1Very high31 Ų3112 Ų1215%0.1457%0.067CC..THydrogen-bonded Turntrans-96.5-51.3178.8-69.9172.8-165.700110.5N148 I294 T296 T321 T334N148-E150 PolarHBondContact O-N 3Å; N148-E150 WeakPolarHBondContact OD1-CA 3.42Å; N148-E150 WeakPolarHBondContact OD1-CB 3.01Å; N148-E150 PolarHBondContact OD1-N 3.15Å; E150-I294 VanDerWaalsContact O-CG2 3.3Å; E150-I294 WeakPolarHBondContact O-CG2 3.21Å; E150-T296 PolarHBondContact O-OG1 3.37Å; E150-T321 HydrophobicContact CB-CG2 3.82Å; E150-T321 HydrophobicContact CG-CG2 4.02Å; E150-T334 VanDerWaalsContact CD-OG1 3.27Å; E150-T334 WeakPolarHBondContact OE2-CB 3.47Å; E150-T334 PolarHBondContact OE2-N 3.1Å; E150-T334 PolarHBondContact OE2-OG1 3.33Å
151M95.3Very high98.1Very high0 Ų012.1 Ų12.10%07%0.068CC..THydrogen-bonded Turntrans-96-26.9-169.7-66.8-46.2-50.100113.7N148 A153 F284 S285 F290 T296 T334 L335 M338N148-M151 WeakPolarHBondContact OD1-CB 3.35Å; N148-M151 PolarHBondContact OD1-N 2.59Å; M151-A153 VanDerWaalsContact C-N 3.31Å; M151-F284 HydrophobicContact CE-CB 3.18Å; M151-F284 HydrophobicContact CE-CG 4.47Å; M151-F284 WeakPolarHBondContact CE-O 3.36Å; M151-F284 HydrophobicContact SD-CB 4.08Å; M151-S285 WeakPolarHBondContact O-CB 3.29Å; M151-S285 PolarHBondContact O-OG 3.1Å; M151-F290 HydrophobicContact CB-CE1 4.36Å; M151-F290 VanDerWaalsContact O-CD1 3.22Å; M151-F290 WeakPolarHBondContact O-CD1 3.23Å; M151-F290 WeakPolarHBondContact O-CE1 3.33Å; M151-T296 HydrophobicContact CE-CG2 4.26Å; M151-T296 HydrophobicContact SD-CG2 3.79Å; M151-T334 HydrophobicContact CB-CG2 4.39Å; M151-T334 HydrophobicContact CG-CG2 3.52Å; M151-L335 HydrophobicContact CE-CD2 4.41Å; M151-L335 HydrophobicContact SD-CD2 3.68Å; M151-L335 HydrophobicContact SD-CG 4.25Å; M151-M338 HydrophobicContact CE-CE 4.19Å; M151-M338 HydrophobicContact CG-CE 4.45Å; M151-M338 HydrophobicContact CG-SD 3.72Å; M151-M338 HydrophobicContact SD-SD 4.25Å
152G97.2Very high98.1Very high0 Ų018.8 Ų18.80%010%0.097CC..  trans83.30.7-170.900000114.1N148 I154 F290 A291N148-G152 VanDerWaalsContact O-CA 3.27Å; N148-G152 WeakPolarHBondContact O-CA 3.39Å; N148-G152 PolarHBondContact O-N 3.06Å; G152-I154 PolarHBondContact O-N 2.89Å; G152-F290 CarbonylContact O-C 3.43Å; G152-F290 WeakPolarHBondContact O-CA 3.44Å; G152-A291 WeakPolarHBondContact O-CB 3.49Å; G152-A291 PolarHBondContact O-N 3.48Å
153A98.2Very high98.1Very high0 Ų020.5 Ų20.50%011%0.107CC..BIsolated β-bridgetrans-56.4123.1177.700000110.6F125 V147 N148 M151 F290F125-A153 HydrophobicContact CD1-CB 4Å; F125-A153 HydrophobicContact CE1-CB 3.79Å; F125-A153 HydrophobicContact CZ-CB 4.35Å; V147-A153 WeakPolarHBondContact CA-O 3.29Å; N148-A153 HydrophobicContact CB-CB 4.42Å; N148-A153 PolarHBondContact N-O 2.78Å; M151-A153 VanDerWaalsContact C-N 3.31Å; A153-F290 HydrophobicContact CB-CD1 4.46Å; A153-F290 HydrophobicContact CB-CE1 3.95Å; A153-F290 HydrophobicContact CB-CZ 4.16Å
154I98.7Very high98.1Very high13 Ų1320.5 Ų20.57%0.06711%0.107CC..BIsolated β-bridgetrans-83.4114.3174.5-58165.3000106.9F125 V147 G152 V183 K187 D289 A291F125-I154 VanDerWaalsContact CD1-O 3.29Å; F125-I154 WeakPolarHBondContact CD1-O 3.34Å; F125-I154 VanDerWaalsContact CE1-O 3.22Å; F125-I154 WeakPolarHBondContact CE1-O 3.48Å; V147-I154 HydrophobicContact CG2-CG1 4.18Å; G152-I154 PolarHBondContact O-N 2.89Å; I154-V183 HydrophobicContact CD1-CB 4.48Å; I154-V183 HydrophobicContact CD1-CG1 3.51Å; I154-V183 HydrophobicContact CD1-CG2 4.06Å; I154-V183 HydrophobicContact CG1-CG1 4.06Å; I154-V183 HydrophobicContact CG1-CG2 4.12Å; I154-V183 HydrophobicContact CG2-CG1 4.07Å; I154-K187 HydrophobicContact CG2-CD 4.26Å; I154-D289 VanDerWaalsContact CB-O 3.26Å; I154-D289 WeakPolarHBondContact CB-O 3.32Å; I154-D289 WeakPolarHBondContact CG1-O 3.5Å; I154-D289 PolarHBondContact N-O 3.09Å; I154-A291 HydrophobicContact CG1-CB 4.46Å
155Q98.8Very high98Very high3 Ų326.5 Ų26.51%0.01414%0.135CC..  trans-70.7149.6-174.2-65.1-58.5-27.800111.4G124 V144 M145 G146 I157G124-Q155 PolarHBondContact O-NE2 3.42Å; V144-Q155 HydrophobicContact CG1-CB 3.86Å; V144-Q155 HydrophobicContact CG1-CG 3.91Å; M145-Q155 HydrophobicContact CG-CG 4.1Å; M145-Q155 WeakPolarHBondContact O-CB 3.31Å; M145-Q155 WeakPolarHBondContact O-CG 3.38Å; G146-Q155 PolarHBondContact O-N 3.24Å; Q155-I157 HydrophobicContact CB-CD1 4Å; Q155-I157 HydrophobicContact CB-CG1 4.35Å; Q155-I157 PolarHBondContact O-N 3.42Å
156P98.5Very high97.8Very high38 Ų3833 Ų3325%0.24717%0.17CC..  trans-78.158.3-176.333.8-37.7000112V128 E158 A159 I160V128-P156 HydrophobicContact CG2-CB 4.1Å; V128-P156 HydrophobicContact CG2-CG 3.65Å; P156-E158 VanDerWaalsContact C-N 3.25Å; P156-E158 PolarHBondContact O-N 3.36Å; P156-A159 HydrophobicContact CB-CB 4.24Å; P156-A159 PolarHBondContact O-N 2.56Å; P156-A159 VanDerWaalsContact O-N 3.08Å; P156-I160 HydrophobicContact CG-CD1 4.37Å; P156-I160 WeakPolarHBondContact O-CG1 3.23Å; P156-I160 PolarHBondContact O-N 2.78Å
157I98.8Very high97.8Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-60.1-34.8-176.2-57.3-55000111.2V144 Q155 I160 S161 F172 V174 K187 W188 T190 V193V144-I157 HydrophobicContact CB-CD1 4.02Å; V144-I157 HydrophobicContact CG1-CD1 3.84Å; Q155-I157 HydrophobicContact CB-CD1 4Å; Q155-I157 HydrophobicContact CB-CG1 4.35Å; Q155-I157 PolarHBondContact O-N 3.42Å; I157-I160 HydrophobicContact CD1-CD1 4.38Å; I157-I160 PolarHBondContact O-N 2.98Å; I157-S161 VanDerWaalsContact O-CB 3.25Å; I157-S161 WeakPolarHBondContact O-CB 3.22Å; I157-S161 PolarHBondContact O-N 3.24Å; I157-S161 PolarHBondContact O-OG 2.96Å; I157-F172 HydrophobicContact CD1-CZ 4.22Å; I157-F172 HydrophobicContact CG2-CE1 3.69Å; I157-F172 HydrophobicContact CG2-CZ 3.74Å; I157-V174 HydrophobicContact CD1-CG1 4.38Å; I157-V174 HydrophobicContact CD1-CG2 4.07Å; I157-V174 HydrophobicContact CG1-CG1 4.43Å; I157-V174 HydrophobicContact CG1-CG2 4.39Å; I157-V174 HydrophobicContact CG2-CG2 3.9Å; I157-K187 WeakPolarHBondContact CB-O 3.26Å; I157-W188 HydrophobicContact CG1-CB 4.44Å; I157-T190 HydrophobicContact CG2-CG2 4.05Å; I157-V193 HydrophobicContact CG2-CG2 3.95Å
158E98.3Very high97.6Very high100 Ų10040 Ų4047%0.46721%0.21SC..Hα-helixtrans-62.3-42.5174.5-68.7-176.89700112.8P156 S161 K162 T190P156-E158 VanDerWaalsContact C-N 3.25Å; P156-E158 PolarHBondContact O-N 3.36Å; E158-S161 WeakPolarHBondContact O-CB 3.25Å; E158-S161 PolarHBondContact O-N 3.48Å; E158-K162 WeakPolarHBondContact O-CG 3.35Å; E158-K162 PolarHBondContact O-N 3.19Å; E158-K162 VanDerWaalsContact O-N 3.13Å; E158-T190 HydrophobicContact CG-CG2 3.88Å
159A98.5Very high97.6Very high37 Ų3744.9 Ų44.931%0.30624%0.24SC..Hα-helixtrans-70.6-40.4177.700000111.4V128 P156 S161 K162 V163V128-A159 HydrophobicContact CG1-CB 4.18Å; V128-A159 HydrophobicContact CG2-CB 3.9Å; P156-A159 HydrophobicContact CB-CB 4.24Å; P156-A159 PolarHBondContact O-N 2.56Å; P156-A159 VanDerWaalsContact O-N 3.08Å; A159-S161 VanDerWaalsContact C-N 3.27Å; A159-S161 PolarHBondContact O-N 3.22Å; A159-K162 PolarHBondContact O-N 2.79Å; A159-V163 PolarHBondContact O-N 2.86Å
160I98.8Very high97.7Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-62.9-38.2173.7-62.5164000110.5V126 V128 L131 V142 V144 P156 I157 K162 V163 L164 F172V126-I160 HydrophobicContact CB-CD1 4.48Å; V126-I160 HydrophobicContact CG1-CD1 4.24Å; V128-I160 HydrophobicContact CG1-CG1 4.5Å; V128-I160 HydrophobicContact CG2-CG1 4.18Å; L131-I160 HydrophobicContact CD1-CD1 4.23Å; L131-I160 HydrophobicContact CD1-CG1 4.3Å; L131-I160 HydrophobicContact CD1-CG2 4.28Å; L131-I160 HydrophobicContact CD2-CG2 4.25Å; V142-I160 HydrophobicContact CG1-CG2 4.43Å; V144-I160 HydrophobicContact CB-CD1 4.24Å; V144-I160 HydrophobicContact CG1-CD1 4.02Å; V144-I160 HydrophobicContact CG2-CD1 4.03Å; P156-I160 HydrophobicContact CG-CD1 4.37Å; P156-I160 WeakPolarHBondContact O-CG1 3.23Å; P156-I160 PolarHBondContact O-N 2.78Å; I157-I160 HydrophobicContact CD1-CD1 4.38Å; I157-I160 PolarHBondContact O-N 2.98Å; I160-K162 PolarHBondContact O-N 3.39Å; I160-V163 PolarHBondContact O-N 3.28Å; I160-L164 HydrophobicContact CG2-CD1 3.95Å; I160-L164 HydrophobicContact CG2-CG 4.38Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 3.23Å; I160-F172 HydrophobicContact CB-CZ 4.02Å; I160-F172 HydrophobicContact CG2-CE1 4.32Å; I160-F172 HydrophobicContact CG2-CE2 3.66Å; I160-F172 HydrophobicContact CG2-CZ 3.53Å
161S98.7Very high97.8Very high4 Ų442.7 Ų42.73%0.02823%0.229CC..Hα-helixtrans-58.2-47.5175.7-64.10000111.2I157 E158 A159 V163 L164 E165 F172 T190I157-S161 VanDerWaalsContact O-CB 3.25Å; I157-S161 WeakPolarHBondContact O-CB 3.22Å; I157-S161 PolarHBondContact O-N 3.24Å; I157-S161 PolarHBondContact O-OG 2.96Å; E158-S161 WeakPolarHBondContact O-CB 3.25Å; E158-S161 PolarHBondContact O-N 3.48Å; A159-S161 VanDerWaalsContact C-N 3.27Å; A159-S161 PolarHBondContact O-N 3.22Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.12Å; S161-L164 CarbonylContact O-C 3.5Å; S161-L164 PolarHBondContact O-N 2.72Å; S161-E165 PolarHBondContact O-N 3.04Å; S161-F172 WeakPolarHBondContact OG-CE1 3.15Å; S161-T190 WeakPolarHBondContact CB-OG1 3.36Å; S161-T190 WeakPolarHBondContact OG-CG2 3.27Å; S161-T190 PolarHBondContact OG-OG1 2.91Å
162K98.5Very high98Very high141 Ų14142.7 Ų42.761%0.61323%0.229SC*.Hα-helixtrans-59.2-42.8177.1-69.2171.7-174.6174.90112.1E158 A159 I160 L164 E165E158-K162 WeakPolarHBondContact O-CG 3.35Å; E158-K162 PolarHBondContact O-N 3.19Å; E158-K162 VanDerWaalsContact O-N 3.13Å; A159-K162 PolarHBondContact O-N 2.79Å; I160-K162 PolarHBondContact O-N 3.39Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 3.49Å; K162-E165 WeakPolarHBondContact O-CB 3.39Å; K162-E165 PolarHBondContact O-N 3.25Å
163V98.4Very high98.1Very high35 Ų3542.7 Ų42.721%0.21223%0.229CC..Hα-helixtrans-59.7-40.8174.4172.80000111.2V128 A132 I135 A159 I160 S161 E165 H167V128-V163 HydrophobicContact CG1-CG2 3.71Å; A132-V163 HydrophobicContact CB-CG1 3.74Å; A132-V163 HydrophobicContact CB-CG2 4.4Å; I135-V163 HydrophobicContact CD1-CG1 3.8Å; A159-V163 PolarHBondContact O-N 2.86Å; I160-V163 PolarHBondContact O-N 3.28Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.12Å; V163-E165 VanDerWaalsContact C-N 3.34Å; V163-E165 PolarHBondContact O-N 2.89Å; V163-H167 PolarHBondContact O-CD2 2.8Å
164L98.5Very high98.1Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-82.7-4.2-176.4-65.4177.7000114.4I135 V142 I160 S161 K162 D166 H167 I170 F172 R192I135-L164 HydrophobicContact CD1-CD2 3.79Å; V142-L164 HydrophobicContact CB-CD1 4Å; V142-L164 HydrophobicContact CG1-CD1 4.34Å; V142-L164 HydrophobicContact CG2-CD1 4.14Å; V142-L164 HydrophobicContact CG2-CD2 3.88Å; I160-L164 HydrophobicContact CG2-CD1 3.95Å; I160-L164 HydrophobicContact CG2-CG 4.38Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 3.23Å; S161-L164 CarbonylContact O-C 3.5Å; S161-L164 PolarHBondContact O-N 2.72Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 3.49Å; L164-D166 VanDerWaalsContact C-N 3.27Å; L164-D166 PolarHBondContact O-N 2.74Å; L164-H167 HydrophobicContact CD2-CB 4.47Å; L164-H167 CarbonylContact O-C 3.53Å; L164-H167 VanDerWaalsContact O-C 3.31Å; L164-H167 PolarHBondContact O-N 3.18Å; L164-H167 VanDerWaalsContact O-N 3.07Å; L164-I170 HydrophobicContact CD2-CD1 4.36Å; L164-I170 HydrophobicContact CD2-CG2 4.46Å; L164-F172 HydrophobicContact CD1-CB 3.85Å; L164-F172 HydrophobicContact CD1-CD1 4.03Å; L164-F172 HydrophobicContact CD1-CD2 3.58Å; L164-F172 HydrophobicContact CD1-CE1 4.49Å; L164-F172 HydrophobicContact CD1-CE2 4.1Å; L164-F172 HydrophobicContact CD1-CG 3.55Å; L164-R192 HydrophobicContact CB-CG 4.14Å; L164-R192 PolarHBondContact O-NE 2.82Å; L164-R192 PolarHBondContact O-NH2 3.17Å
165E97.2Very high98.2Very high127 Ų12742.5 Ų42.559%0.59323%0.228SC*.Hα-helixtrans-60.9-39173.2-77.4174.1-174.400111.2S161 K162 V163 H167S161-E165 PolarHBondContact O-N 3.04Å; K162-E165 WeakPolarHBondContact O-CB 3.39Å; K162-E165 PolarHBondContact O-N 3.25Å; V163-E165 VanDerWaalsContact C-N 3.34Å; V163-E165 PolarHBondContact O-N 2.89Å; E165-H167 PolarHBondContact O-N 3.39Å
166D95.3Very high98.1Very high139 Ų13942.4 Ų42.474%0.74323%0.227SC*.THydrogen-bonded Turntrans-74.1-3.9175.6-66.2-36.4000113.3L164 P168L164-D166 VanDerWaalsContact C-N 3.27Å; L164-D166 PolarHBondContact O-N 2.74Å; D166-P168 VanDerWaalsContact C-CD 3.49Å
167H97.6Very high98.1Very high66 Ų6641.2 Ų41.231%0.30622%0.22SC..  trans-129.862.2-177.5-56.2-72.8000111.9V163 L164 E165 T169 I170 R192V163-H167 PolarHBondContact O-CD2 2.8Å; L164-H167 HydrophobicContact CD2-CB 4.47Å; L164-H167 CarbonylContact O-C 3.53Å; L164-H167 VanDerWaalsContact O-C 3.31Å; L164-H167 PolarHBondContact O-N 3.18Å; L164-H167 VanDerWaalsContact O-N 3.07Å; E165-H167 PolarHBondContact O-N 3.39Å; H167-T169 PolarHBondContact O-N 2.95Å; H167-T169 VanDerWaalsContact O-N 3.15Å; H167-I170 HydrophobicContact CB-CB 4.4Å; H167-I170 HydrophobicContact CB-CD1 3.54Å; H167-I170 HydrophobicContact CB-CG1 3.86Å; H167-I170 PolarHBondContact O-N 3.36Å; H167-I170 VanDerWaalsContact O-N 3.1Å; H167-R192 PolarHBondContact O-NH2 3.31Å
168P95.9Very high98.1Very high84 Ų8441.6 Ų41.655%0.54522%0.221SC..THydrogen-bonded Turntrans-66.4-20.6-172.327.7-36.8000114D166 K218D166-P168 VanDerWaalsContact C-CD 3.49Å; P168-K218 PolarHBondContact O-NZ 3.23Å
169T96.3Very high98.1Very high102 Ų10236.8 Ų36.863%0.62620%0.199SC*.THydrogen-bonded Turntrans-75-23.7177.254.10000112.5K84 H167K84-T169 VanDerWaalsContact CE-O 3.24Å; K84-T169 WeakPolarHBondContact CE-O 3.37Å; K84-T169 PolarHBondContact NZ-O 3.16Å; H167-T169 PolarHBondContact O-N 2.95Å; H167-T169 VanDerWaalsContact O-N 3.15Å
170I98.6Very high98.1Very high3 Ų335.1 Ų35.12%0.01519%0.185CC..SBendtrans-75.6130.3178.7-56.5-177.4000108.8I135 T139 V142 L164 H167 R192I135-I170 HydrophobicContact CG2-CD1 3.71Å; T139-I170 HydrophobicContact CG2-CD1 3.87Å; T139-I170 HydrophobicContact CG2-CG1 4.41Å; T139-I170 HydrophobicContact CG2-CG2 4.08Å; T139-I170 WeakPolarHBondContact O-CG1 3.45Å; V142-I170 HydrophobicContact CG2-CG2 3.92Å; L164-I170 HydrophobicContact CD2-CD1 4.36Å; L164-I170 HydrophobicContact CD2-CG2 4.46Å; H167-I170 HydrophobicContact CB-CB 4.4Å; H167-I170 HydrophobicContact CB-CD1 3.54Å; H167-I170 HydrophobicContact CB-CG1 3.86Å; H167-I170 PolarHBondContact O-N 3.36Å; H167-I170 VanDerWaalsContact O-N 3.1Å; I170-R192 PolarHBondContact O-NH2 3.34Å
171H98.8Very high97.9Very high5 Ų535.7 Ų35.72%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-71138170.1-74.1-179.6000110.3T80 I140 L141 V142 D194 F195 K219T80-H171 HydrophobicContact CG2-CB 4.11Å; T80-H171 VanDerWaalsContact CG2-ND1 3.3Å; T80-H171 WeakPolarHBondContact CG2-ND1 3.47Å; T80-H171 PolarHBondContact OG1-ND1 2.78Å; I140-H171 PolarHBondContact O-N 2.88Å; L141-H171 CarbonylContact C-O 3.56Å; L141-H171 WeakPolarHBondContact CA-O 3.34Å; L141-H171 HydrophobicContact CD1-CB 3.53Å; V142-H171 PolarHBondContact N-O 2.78Å; H171-D194 WeakPolarHBondContact CA-OD2 3.48Å; H171-F195 HydrophobicContact CB-CD2 4.3Å; H171-F195 HydrophobicContact CB-CE2 3.9Å; H171-F195 AromaticContact CE1-CE2 3.83Å; H171-F195 AromaticContact CE1-CZ 3.93Å; H171-F195 AromaticContact CG-CE2 3.56Å; H171-F195 AromaticContact ND1-CE2 3.36Å; H171-F195 WeakPolarHBondContact ND1-CE2 3.46Å; H171-F195 AromaticContact ND1-CZ 3.86Å; H171-K219 PolarHBondContact CE1-O 2.94Å
172F98.9Very high97.8Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-112.5115172-171.5-150.5000111.4V142 I157 I160 S161 L164 V174 R192 V193 D194 F195V142-F172 HydrophobicContact CB-CD2 4.18Å; V142-F172 HydrophobicContact CG1-CD2 4.2Å; V142-F172 HydrophobicContact CG1-CE2 4.2Å; I157-F172 HydrophobicContact CD1-CZ 4.22Å; I157-F172 HydrophobicContact CG2-CE1 3.69Å; I157-F172 HydrophobicContact CG2-CZ 3.74Å; I160-F172 HydrophobicContact CB-CZ 4.02Å; I160-F172 HydrophobicContact CG2-CE1 4.32Å; I160-F172 HydrophobicContact CG2-CE2 3.66Å; I160-F172 HydrophobicContact CG2-CZ 3.53Å; S161-F172 WeakPolarHBondContact OG-CE1 3.15Å; L164-F172 HydrophobicContact CD1-CB 3.85Å; L164-F172 HydrophobicContact CD1-CD1 4.03Å; L164-F172 HydrophobicContact CD1-CD2 3.58Å; L164-F172 HydrophobicContact CD1-CE1 4.49Å; L164-F172 HydrophobicContact CD1-CE2 4.1Å; L164-F172 HydrophobicContact CD1-CG 3.55Å; F172-V174 HydrophobicContact CE1-CG2 4.35Å; F172-V174 HydrophobicContact CE2-CG2 4.33Å; F172-V174 HydrophobicContact CZ-CG2 4.09Å; F172-R192 HydrophobicContact CD1-CG 4.18Å; F172-V193 HydrophobicContact CD1-CB 4.37Å; F172-V193 HydrophobicContact CD1-CG2 3.75Å; F172-V193 HydrophobicContact CE1-CG2 3.72Å; F172-D194 PolarHBondContact N-OD2 2.85Å; F172-D194 WeakPolarHBondContact O-CA 3.27Å; F172-D194 WeakPolarHBondContact O-CB 3.47Å; F172-D194 PolarHBondContact O-N 3.32Å; F172-F195 PolarHBondContact O-N 3.23Å
173H98.9Very high97.6Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-108.6138.1179.1172.8-115.2000111.5D73 V76 L141 V142 S143 V144 F195 T197D73-H173 IonicContact OD1-CE1 2.7Å; D73-H173 PolarHBondContact OD1-CE1 3.35Å; D73-H173 VanDerWaalsContact OD1-CE1 3.26Å; D73-H173 IonicContact OD1-NE2 3.2Å; V76-H173 HydrophobicContact CG1-CB 3.71Å; L141-H173 HydrophobicContact CD1-CB 4.03Å; V142-H173 PolarHBondContact O-N 3.29Å; S143-H173 WeakPolarHBondContact CA-O 3.48Å; S143-H173 PolarHBondContact OG-ND1 2.95Å; V144-H173 PolarHBondContact N-O 3.4Å; H173-F195 CarbonylContact C-O 3.46Å; H173-F195 WeakPolarHBondContact CA-O 3.35Å; H173-F195 HydrophobicContact CB-CB 4.36Å; H173-T197 PolarHBondContact NE2-OG1 3.4Å
174V98.9Very high97.5Very high0 Ų033.6 Ų33.60%018%0.181CC..EExtended strand (participates in β ladder)trans-124.5116.3172.3-179.50000110.5V144 I157 F172 A176 W188 V193 F195 A196 T197V144-V174 VanDerWaalsContact O-CA 3.3Å; V144-V174 WeakPolarHBondContact O-CA 3.33Å; I157-V174 HydrophobicContact CD1-CG1 4.38Å; I157-V174 HydrophobicContact CD1-CG2 4.07Å; I157-V174 HydrophobicContact CG1-CG1 4.43Å; I157-V174 HydrophobicContact CG1-CG2 4.39Å; I157-V174 HydrophobicContact CG2-CG2 3.9Å; F172-V174 HydrophobicContact CE1-CG2 4.35Å; F172-V174 HydrophobicContact CE2-CG2 4.33Å; F172-V174 HydrophobicContact CZ-CG2 4.09Å; V174-A176 HydrophobicContact CG1-CB 4.38Å; V174-A176 PolarHBondContact O-N 2.86Å; V174-W188 HydrophobicContact CG1-CB 4.41Å; V174-V193 HydrophobicContact CB-CG1 4.37Å; V174-V193 HydrophobicContact CG2-CG1 3.99Å; V174-V193 HydrophobicContact CG2-CG2 3.72Å; V174-F195 PolarHBondContact N-O 2.92Å; V174-A196 CarbonylContact O-C 3.5Å; V174-A196 WeakPolarHBondContact O-CA 3.49Å; V174-T197 PolarHBondContact O-N 3.39Å
175D98.9Very high97.4Very high9 Ų936.5 Ų36.55%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-70.5100.7164.4179.1-9.4000108.5M145 G146 V177M145-D175 CarbonylContact C-O 3.48Å; M145-D175 WeakPolarHBondContact CA-O 3.49Å; M145-D175 HydrophobicContact CB-CB 4.12Å; G146-D175 PolarHBondContact N-O 2.89Å; D175-V177 WeakPolarHBondContact OD1-CB 3.14Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.43Å; D175-V177 PolarHBondContact OD1-N 3.41Å
176A98.7Very high97.4Very high0 Ų036.3 Ų36.30%019%0.193CC..  trans-9915.2-175.300000112.7V174 Q178 A179 I180 W188 A196 T197 F198V174-A176 HydrophobicContact CG1-CB 4.38Å; V174-A176 PolarHBondContact O-N 2.86Å; A176-Q178 PolarHBondContact O-N 2.88Å; A176-A179 HydrophobicContact CB-CB 4.22Å; A176-A179 PolarHBondContact O-N 3.47Å; A176-I180 PolarHBondContact O-N 2.91Å; A176-W188 HydrophobicContact CB-CD2 4.19Å; A176-W188 HydrophobicContact CB-CE3 3.49Å; A176-W188 VanDerWaalsContact CB-CE3 3.49Å; A176-W188 HydrophobicContact CB-CH2 4.37Å; A176-W188 HydrophobicContact CB-CZ3 3.6Å; A176-A196 HydrophobicContact CB-CB 4.29Å; A176-T197 CarbonylContact C-O 3.57Å; A176-T197 WeakPolarHBondContact CA-O 3.35Å; A176-T197 PolarHBondContact N-O 3.33Å; A176-F198 HydrophobicContact CB-CD1 3.86Å; A176-F198 HydrophobicContact CB-CE1 3.4Å; A176-F198 HydrophobicContact CB-CZ 4Å
177V98.6Very high97.5Very high14 Ų1432.3 Ų32.39%0.08517%0.169CC..THydrogen-bonded Turntrans-57.7-34.9-176.5168.90000112.6D175 T197 K202D175-V177 WeakPolarHBondContact OD1-CB 3.14Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.43Å; D175-V177 PolarHBondContact OD1-N 3.41Å; V177-T197 HydrophobicContact CG2-CG2 4.21Å; V177-T197 PolarHBondContact N-O 3.3Å; V177-K202 HydrophobicContact CG1-CB 4.34Å; V177-K202 HydrophobicContact CG1-CD 4.31Å; V177-K202 HydrophobicContact CG1-CG 3.46Å; V177-K202 VanDerWaalsContact CG1-CG 3.46Å
178Q98Very high97.5Very high7 Ų729.3 Ų29.33%0.03316%0.155CC..THydrogen-bonded Turntrans-97-4.2174.5-64.6-64-4.900114.5S7 V147 N149 A176 K182S7-Q178 PolarHBondContact O-NE2 2.88Å; V147-Q178 HydrophobicContact CB-CB 3.82Å; V147-Q178 HydrophobicContact CG1-CB 3.97Å; N149-Q178 HydrophobicContact CB-CG 3.59Å; A176-Q178 PolarHBondContact O-N 2.88Å; Q178-K182 WeakPolarHBondContact O-CD 3.21Å
179A98.2Very high97.6Very high0 Ų026.3 Ų26.30%013%0.134CC..THydrogen-bonded Turntrans-92.2-41.3-175.900000112V147 A176 G181 K182 V183 W188V147-A179 HydrophobicContact CG2-CB 3.89Å; A176-A179 HydrophobicContact CB-CB 4.22Å; A176-A179 PolarHBondContact O-N 3.47Å; A179-G181 PolarHBondContact O-N 3.42Å; A179-K182 PolarHBondContact O-N 2.92Å; A179-V183 PolarHBondContact O-N 3.34Å; A179-V183 VanDerWaalsContact O-N 3.13Å; A179-W188 HydrophobicContact CB-CB 4.34Å; A179-W188 HydrophobicContact CB-CD2 3.82Å; A179-W188 HydrophobicContact CB-CG 3.65Å
180I97.6Very high97.7Very high2 Ų222 Ų221%0.0111%0.108CC..THydrogen-bonded Turntrans-55.8121.6-172.9-168.1165.7000112.5L56 A176 K182 F198 F203 F211 L250 H253L56-I180 HydrophobicContact CD2-CD1 4.07Å; L56-I180 HydrophobicContact CD2-CG1 4.5Å; A176-I180 PolarHBondContact O-N 2.91Å; I180-K182 PolarHBondContact O-N 3.39Å; I180-K182 VanDerWaalsContact O-N 3.16Å; I180-F198 HydrophobicContact CB-CD1 3.88Å; I180-F198 HydrophobicContact CB-CE1 4.05Å; I180-F198 HydrophobicContact CD1-CD1 3.58Å; I180-F198 HydrophobicContact CD1-CE1 3.82Å; I180-F198 HydrophobicContact CD1-CG 4.29Å; I180-F198 HydrophobicContact CG1-CD1 4.28Å; I180-F198 HydrophobicContact CG1-CE1 4.34Å; I180-F198 HydrophobicContact CG2-CD1 4.14Å; I180-F203 HydrophobicContact CD1-CE1 4.37Å; I180-F203 HydrophobicContact CG2-CD1 3.58Å; I180-F203 HydrophobicContact CG2-CE1 4.05Å; I180-F203 HydrophobicContact CG2-CG 4.47Å; I180-F211 HydrophobicContact CD1-CE1 4.48Å; I180-F211 HydrophobicContact CD1-CZ 3.98Å; I180-L250 HydrophobicContact CD1-CD1 3.39Å; I180-L250 HydrophobicContact CD1-CD2 4.02Å; I180-L250 HydrophobicContact CD1-CG 4.36Å; I180-L250 HydrophobicContact CG1-CD1 3.69Å; I180-H253 PolarHBondContact O-NE2 3.12Å
181G95.4Very high97.6Very high11 Ų1128 Ų2811%0.11315%0.147CC..THydrogen-bonded Turntrans68.13.7-179.600000116A179 K257A179-G181 PolarHBondContact O-N 3.42Å; G181-K257 WeakPolarHBondContact O-CG 3.46Å
182K95.8Very high97.6Very high21 Ų2128.9 Ų28.99%0.09115%0.15CC..THydrogen-bonded Turntrans-111.9-29.7-178.2-69.9150.2172.2-179.80112.7Q178 A179 I180 K202 P292 H293Q178-K182 WeakPolarHBondContact O-CD 3.21Å; A179-K182 PolarHBondContact O-N 2.92Å; I180-K182 PolarHBondContact O-N 3.39Å; I180-K182 VanDerWaalsContact O-N 3.16Å; K182-K202 PolarHBondContact NZ-O 2.83Å; K182-P292 WeakPolarHBondContact O-CD 3.3Å; K182-P292 VanDerWaalsContact O-CG 3.31Å; K182-P292 WeakPolarHBondContact O-CG 3.36Å; K182-H293 VanDerWaalsContact CD-CE1 3.47Å; K182-H293 WeakPolarHBondContact CD-CE1 3.43Å; K182-H293 WeakPolarHBondContact CD-NE2 3.48Å
183V95.9Very high97.6Very high13 Ų1328.9 Ų28.98%0.07915%0.15CC..SBendtrans-135.2151.8179.9-165.80000108.2V147 I154 A179 Q185 K187 W188 A291V147-V183 HydrophobicContact CG2-CB 4.47Å; V147-V183 HydrophobicContact CG2-CG2 3.62Å; I154-V183 HydrophobicContact CD1-CB 4.48Å; I154-V183 HydrophobicContact CD1-CG1 3.51Å; I154-V183 HydrophobicContact CD1-CG2 4.06Å; I154-V183 HydrophobicContact CG1-CG1 4.06Å; I154-V183 HydrophobicContact CG1-CG2 4.12Å; I154-V183 HydrophobicContact CG2-CG1 4.07Å; A179-V183 PolarHBondContact O-N 3.34Å; A179-V183 VanDerWaalsContact O-N 3.13Å; V183-Q185 PolarHBondContact O-N 3.3Å; V183-K187 HydrophobicContact CG1-CD 3.96Å; V183-W188 PolarHBondContact O-NE1 3.18Å; V183-A291 HydrophobicContact CG2-CB 4.18Å
184E95.7Very high97.6Very high103 Ų10329 Ų2948%0.48115%0.151SC..  trans-52.9134.9-179.8-61.279.8-170.900111.2E186 K187 W188E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 HydrophobicContact CB-CG 4.31Å; E184-E186 PolarHBondContact O-N 2.99Å; E184-K187 HydrophobicContact CB-CG 4.37Å; E184-K187 WeakPolarHBondContact O-CB 3.27Å; E184-K187 PolarHBondContact O-N 3.26Å; E184-W188 PolarHBondContact O-NE1 2.97Å
185Q97.2Very high97.6Very high60 Ų6029 Ų2928%0.2815%0.151SC..G310 helixtrans-63.6-39.1-171.1-177.8180-5800112L56 V183 K187 W188 L189L56-Q185 PolarHBondContact O-NE2 3.27Å; V183-Q185 PolarHBondContact O-N 3.3Å; Q185-K187 PolarHBondContact O-N 2.73Å; Q185-W188 HydrophobicContact CB-CZ2 4.24Å; Q185-W188 HydrophobicContact CG-CH2 4.13Å; Q185-W188 HydrophobicContact CG-CZ2 3.79Å; Q185-W188 PolarHBondContact O-N 3.48Å; Q185-W188 VanDerWaalsContact O-N 3.1Å; Q185-L189 HydrophobicContact CG-CB 3.92Å; Q185-L189 HydrophobicContact CG-CD2 4.29Å; Q185-L189 PolarHBondContact O-N 3.32Å
186E96.4Very high97.6Very high124 Ų12428.6 Ų28.658%0.57915%0.148SC*.G310 helixtrans-59-26.117958.6-90.5-151.300113.3E184 W188E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 HydrophobicContact CB-CG 4.31Å; E184-E186 PolarHBondContact O-N 2.99Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.46Å
187K97.2Very high97.6Very high54 Ų5428.6 Ų28.624%0.23515%0.148CC..G310 helixtrans-70.4-22177.8-71.7-165.5173-167.30113.3I154 I157 V183 E184 Q185 D289I154-K187 HydrophobicContact CG2-CD 4.26Å; I157-K187 WeakPolarHBondContact CB-O 3.26Å; V183-K187 HydrophobicContact CG1-CD 3.96Å; E184-K187 HydrophobicContact CB-CG 4.37Å; E184-K187 WeakPolarHBondContact O-CB 3.27Å; E184-K187 PolarHBondContact O-N 3.26Å; Q185-K187 PolarHBondContact O-N 2.73Å; K187-D289 IonicContact NZ-OD1 3.04Å; K187-D289 PolarHBondContact NZ-OD1 3.42Å
188W97.9Very high97.6Very high4 Ų427.9 Ų27.92%0.01514%0.144CC..THydrogen-bonded Turntrans-133.8-18.3-173.261.3-94.9000115L56 I157 V174 A176 A179 V183 E184 Q185 E186 A196 F198L56-W188 HydrophobicContact CD2-CH2 4.11Å; I157-W188 HydrophobicContact CG1-CB 4.44Å; V174-W188 HydrophobicContact CG1-CB 4.41Å; A176-W188 HydrophobicContact CB-CD2 4.19Å; A176-W188 HydrophobicContact CB-CE3 3.49Å; A176-W188 VanDerWaalsContact CB-CE3 3.49Å; A176-W188 HydrophobicContact CB-CH2 4.37Å; A176-W188 HydrophobicContact CB-CZ3 3.6Å; A179-W188 HydrophobicContact CB-CB 4.34Å; A179-W188 HydrophobicContact CB-CD2 3.82Å; A179-W188 HydrophobicContact CB-CG 3.65Å; V183-W188 PolarHBondContact O-NE1 3.18Å; E184-W188 PolarHBondContact O-NE1 2.97Å; Q185-W188 HydrophobicContact CB-CZ2 4.24Å; Q185-W188 HydrophobicContact CG-CH2 4.13Å; Q185-W188 HydrophobicContact CG-CZ2 3.79Å; Q185-W188 PolarHBondContact O-N 3.48Å; Q185-W188 VanDerWaalsContact O-N 3.1Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.46Å; W188-A196 HydrophobicContact CZ3-CB 4.46Å; W188-F198 AromaticContact CH2-CE1 3.46Å; W188-F198 HydrophobicContact CH2-CE1 3.46Å; W188-F198 VanDerWaalsContact CH2-CE1 3.46Å; W188-F198 AromaticContact CH2-CZ 3.67Å; W188-F198 HydrophobicContact CH2-CZ 3.67Å; W188-F198 HydrophobicContact CZ2-CE1 4.43Å; W188-F198 AromaticContact CZ3-CE1 3.52Å; W188-F198 HydrophobicContact CZ3-CE1 3.52Å; W188-F198 AromaticContact CZ3-CZ 3.5Å; W188-F198 HydrophobicContact CZ3-CZ 3.5Å; W188-F198 VanDerWaalsContact CZ3-CZ 3.5Å
189L98.4Very high97.6Very high20 Ų2027.9 Ų27.911%0.10515%0.145CC..SBendtrans-113.465.4172.9-164.760.8000110.4V58 Q185 V193 A196 Y213V58-L189 HydrophobicContact CG1-CD2 4.02Å; Q185-L189 HydrophobicContact CG-CB 3.92Å; Q185-L189 HydrophobicContact CG-CD2 4.29Å; Q185-L189 PolarHBondContact O-N 3.32Å; L189-V193 HydrophobicContact CD1-CB 4.28Å; L189-V193 HydrophobicContact CD1-CG1 3.97Å; L189-A196 HydrophobicContact CD1-CB 4.1Å; L189-Y213 HydrophobicContact CD1-CD1 3.69Å; L189-Y213 HydrophobicContact CD1-CE1 3.91Å; L189-Y213 HydrophobicContact CD1-CG 4.25Å
190T98.1Very high97.7Very high13 Ų1327.9 Ų27.98%0.0815%0.145CC..  trans-71.5163.8178.777.40000111I157 E158 S161 R192 V193I157-T190 HydrophobicContact CG2-CG2 4.05Å; E158-T190 HydrophobicContact CG-CG2 3.88Å; S161-T190 WeakPolarHBondContact CB-OG1 3.36Å; S161-T190 WeakPolarHBondContact OG-CG2 3.27Å; S161-T190 PolarHBondContact OG-OG1 2.91Å; T190-R192 PolarHBondContact O-N 3.3Å; T190-R192 PolarHBondContact OG1-N 2.84Å; T190-R192 VanDerWaalsContact OG1-N 3.16Å; T190-V193 PolarHBondContact O-N 3Å; T190-V193 VanDerWaalsContact O-N 3.1Å; T190-V193 PolarHBondContact OG1-N 3.33Å
191P97.1Very high97.7Very high127 Ų12729.6 Ų29.683%0.82515%0.153SC*.THydrogen-bonded Turntrans-59.1-12.3171.6-25.135.4000114.6K215P191-K215 PolarHBondContact O-NZ 3.28Å
192R97.9Very high97.8Very high24 Ų2430.3 Ų30.39%0.09115%0.153CC..THydrogen-bonded Turntrans-89.5-25.4176.5-178.758.1-171.283-2.3113.4L164 H167 I170 F172 T190 D194L164-R192 HydrophobicContact CB-CG 4.14Å; L164-R192 PolarHBondContact O-NE 2.82Å; L164-R192 PolarHBondContact O-NH2 3.17Å; H167-R192 PolarHBondContact O-NH2 3.31Å; I170-R192 PolarHBondContact O-NH2 3.34Å; F172-R192 HydrophobicContact CD1-CG 4.18Å; T190-R192 PolarHBondContact O-N 3.3Å; T190-R192 PolarHBondContact OG1-N 2.84Å; T190-R192 VanDerWaalsContact OG1-N 3.16Å; R192-D194 IonicContact CZ-OD2 3.67Å; R192-D194 IonicContact NH1-OD1 2.72Å; R192-D194 IonicContact NH1-OD2 3.62Å; R192-D194 PolarHBondContact NH1-OD2 3.34Å; R192-D194 PolarHBondContact O-N 3.27Å
193V98.7Very high97.9Very high0 Ų029.3 Ų29.30%015%0.149CC..  trans-60.5126.8-178.9175.20000109.9I157 F172 V174 L189 T190 F195 A196 K215I157-V193 HydrophobicContact CG2-CG2 3.95Å; F172-V193 HydrophobicContact CD1-CB 4.37Å; F172-V193 HydrophobicContact CD1-CG2 3.75Å; F172-V193 HydrophobicContact CE1-CG2 3.72Å; V174-V193 HydrophobicContact CB-CG1 4.37Å; V174-V193 HydrophobicContact CG2-CG1 3.99Å; V174-V193 HydrophobicContact CG2-CG2 3.72Å; L189-V193 HydrophobicContact CD1-CB 4.28Å; L189-V193 HydrophobicContact CD1-CG1 3.97Å; T190-V193 PolarHBondContact O-N 3Å; T190-V193 VanDerWaalsContact O-N 3.1Å; T190-V193 PolarHBondContact OG1-N 3.33Å; V193-F195 WeakPolarHBondContact CG1-O 3.34Å; V193-A196 HydrophobicContact CG1-CB 4.38Å; V193-K215 WeakPolarHBondContact O-CE 3.27Å; V193-K215 PolarHBondContact O-NZ 3.3Å
194D98.8Very high98.1Very high3 Ų329 Ų292%0.01615%0.146CC..  trans-95.9-31.9-179-66.9-41.8000111.4H171 F172 R192 K215 K218H171-D194 WeakPolarHBondContact CA-OD2 3.48Å; F172-D194 PolarHBondContact N-OD2 2.85Å; F172-D194 WeakPolarHBondContact O-CA 3.27Å; F172-D194 WeakPolarHBondContact O-CB 3.47Å; F172-D194 PolarHBondContact O-N 3.32Å; R192-D194 IonicContact CZ-OD2 3.67Å; R192-D194 IonicContact NH1-OD1 2.72Å; R192-D194 IonicContact NH1-OD2 3.62Å; R192-D194 PolarHBondContact NH1-OD2 3.34Å; R192-D194 PolarHBondContact O-N 3.27Å; D194-K215 WeakPolarHBondContact O-CB 3.2Å; D194-K215 PolarHBondContact O-N 2.83Å; D194-K218 HydrophobicContact CB-CD 4.15Å; D194-K218 HydrophobicContact CB-CG 3.94Å; D194-K218 VanDerWaalsContact CG-CE 3.48Å; D194-K218 VanDerWaalsContact CG-NZ 3.28Å; D194-K218 WeakPolarHBondContact OD1-CD 3.19Å; D194-K218 WeakPolarHBondContact OD1-CE 3.41Å; D194-K218 IonicContact OD1-NZ 3.26Å; D194-K218 PolarHBondContact OD1-NZ 2.93Å; D194-K218 IonicContact OD2-NZ 3.58Å; D194-K218 PolarHBondContact OD2-NZ 3.25Å
195F98.9Very high98.2Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-139.8142.4179.7-55.1-86.4000110.8V76 H171 F172 H173 V174 V193 Y213 W214 K218 L220V76-F195 HydrophobicContact CB-CB 4.49Å; V76-F195 HydrophobicContact CG1-CB 3.75Å; V76-F195 HydrophobicContact CG1-CD1 4.38Å; V76-F195 HydrophobicContact CG1-CD2 3.96Å; V76-F195 HydrophobicContact CG1-CG 3.77Å; V76-F195 HydrophobicContact CG2-CB 3.84Å; V76-F195 HydrophobicContact CG2-CD1 4.12Å; V76-F195 HydrophobicContact CG2-CG 4.1Å; H171-F195 HydrophobicContact CB-CD2 4.3Å; H171-F195 HydrophobicContact CB-CE2 3.9Å; H171-F195 AromaticContact CE1-CE2 3.83Å; H171-F195 AromaticContact CE1-CZ 3.93Å; H171-F195 AromaticContact CG-CE2 3.56Å; H171-F195 AromaticContact ND1-CE2 3.36Å; H171-F195 WeakPolarHBondContact ND1-CE2 3.46Å; H171-F195 AromaticContact ND1-CZ 3.86Å; F172-F195 PolarHBondContact O-N 3.23Å; H173-F195 CarbonylContact C-O 3.46Å; H173-F195 WeakPolarHBondContact CA-O 3.35Å; H173-F195 HydrophobicContact CB-CB 4.36Å; V174-F195 PolarHBondContact N-O 2.92Å; V193-F195 WeakPolarHBondContact CG1-O 3.34Å; F195-Y213 CarbonylContact C-O 3.52Å; F195-Y213 WeakPolarHBondContact CA-O 3.31Å; F195-W214 HydrophobicContact CD1-CB 4Å; F195-W214 AromaticContact CD1-CD1 3.91Å; F195-W214 AromaticContact CD1-CG 3.92Å; F195-W214 HydrophobicContact CD1-CG 3.92Å; F195-W214 HydrophobicContact CE1-CB 4.1Å; F195-W214 AromaticContact CE1-CD1 3.22Å; F195-W214 AromaticContact CE1-CD2 3.95Å; F195-W214 HydrophobicContact CE1-CD2 3.95Å; F195-W214 AromaticContact CE1-CG 3.49Å; F195-W214 HydrophobicContact CE1-CG 3.49Å; F195-W214 VanDerWaalsContact CE1-CG 3.49Å; F195-W214 AromaticContact CE1-NE1 3.6Å; F195-W214 AromaticContact CZ-CD1 3.91Å; F195-W214 AromaticContact CZ-NE1 4Å; F195-K218 HydrophobicContact CE2-CB 4.28Å; F195-K218 HydrophobicContact CZ-CB 3.85Å; F195-L220 HydrophobicContact CD1-CD2 4.36Å; F195-L220 HydrophobicContact CE1-CB 4.02Å; F195-L220 HydrophobicContact CE1-CD1 4.13Å; F195-L220 HydrophobicContact CE1-CD2 3.95Å; F195-L220 HydrophobicContact CE1-CG 4.27Å; F195-L220 HydrophobicContact CZ-CB 4.23Å; F195-L220 HydrophobicContact CZ-CD1 4.13Å
196A98.9Very high98.3Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-139.3138.7167.800000111.9V174 A176 W188 L189 V193 F198 I212 Y213V174-A196 CarbonylContact O-C 3.5Å; V174-A196 WeakPolarHBondContact O-CA 3.49Å; A176-A196 HydrophobicContact CB-CB 4.29Å; W188-A196 HydrophobicContact CZ3-CB 4.46Å; L189-A196 HydrophobicContact CD1-CB 4.1Å; V193-A196 HydrophobicContact CG1-CB 4.38Å; A196-F198 HydrophobicContact CB-CE2 3.86Å; A196-F198 HydrophobicContact CB-CZ 3.81Å; A196-F198 WeakPolarHBondContact O-CE2 3.34Å; A196-I212 CarbonylContact O-C 3.31Å; A196-I212 WeakPolarHBondContact O-CA 3.26Å; A196-Y213 HydrophobicContact CB-CD1 4.34Å; A196-Y213 PolarHBondContact N-O 3.03Å; A196-Y213 PolarHBondContact O-N 2.87Å
197T98.9Very high98.4Very high0 Ų024.6 Ų24.60%012%0.12CC..EExtended strand (participates in β ladder)trans-104.3140.6-175.8-67.40000111.9G69 D73 H173 V174 A176 V177G69-T197 VanDerWaalsContact O-CG2 3.23Å; G69-T197 WeakPolarHBondContact O-CG2 3.49Å; D73-T197 WeakPolarHBondContact OD1-CB 3.32Å; D73-T197 WeakPolarHBondContact OD1-CG2 3.39Å; D73-T197 PolarHBondContact OD1-OG1 3.01Å; H173-T197 PolarHBondContact NE2-OG1 3.4Å; V174-T197 PolarHBondContact O-N 3.39Å; A176-T197 CarbonylContact C-O 3.57Å; A176-T197 WeakPolarHBondContact CA-O 3.35Å; A176-T197 PolarHBondContact N-O 3.33Å; V177-T197 HydrophobicContact CG2-CG2 4.21Å; V177-T197 PolarHBondContact N-O 3.3Å
198F98.8Very high98.4Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-138.4153.5-179.3-50.8-86.3000112.5L56 A176 I180 W188 A196 F203 G210 F211L56-F198 HydrophobicContact CD1-CE2 4.12Å; L56-F198 HydrophobicContact CD1-CZ 4.01Å; A176-F198 HydrophobicContact CB-CD1 3.86Å; A176-F198 HydrophobicContact CB-CE1 3.4Å; A176-F198 HydrophobicContact CB-CZ 4Å; I180-F198 HydrophobicContact CB-CD1 3.88Å; I180-F198 HydrophobicContact CB-CE1 4.05Å; I180-F198 HydrophobicContact CD1-CD1 3.58Å; I180-F198 HydrophobicContact CD1-CE1 3.82Å; I180-F198 HydrophobicContact CD1-CG 4.29Å; I180-F198 HydrophobicContact CG1-CD1 4.28Å; I180-F198 HydrophobicContact CG1-CE1 4.34Å; I180-F198 HydrophobicContact CG2-CD1 4.14Å; W188-F198 AromaticContact CH2-CE1 3.46Å; W188-F198 HydrophobicContact CH2-CE1 3.46Å; W188-F198 VanDerWaalsContact CH2-CE1 3.46Å; W188-F198 AromaticContact CH2-CZ 3.67Å; W188-F198 HydrophobicContact CH2-CZ 3.67Å; W188-F198 HydrophobicContact CZ2-CE1 4.43Å; W188-F198 AromaticContact CZ3-CE1 3.52Å; W188-F198 HydrophobicContact CZ3-CE1 3.52Å; W188-F198 AromaticContact CZ3-CZ 3.5Å; W188-F198 HydrophobicContact CZ3-CZ 3.5Å; W188-F198 VanDerWaalsContact CZ3-CZ 3.5Å; A196-F198 HydrophobicContact CB-CE2 3.86Å; A196-F198 HydrophobicContact CB-CZ 3.81Å; A196-F198 WeakPolarHBondContact O-CE2 3.34Å; F198-F203 HydrophobicContact CB-CE1 4.49Å; F198-G210 WeakPolarHBondContact O-CA 3.41Å; F198-F211 HydrophobicContact CB-CD1 3.81Å; F198-F211 HydrophobicContact CB-CD2 4.45Å; F198-F211 HydrophobicContact CB-CE1 3.48Å; F198-F211 VanDerWaalsContact CB-CE1 3.48Å; F198-F211 HydrophobicContact CB-CE2 4.16Å; F198-F211 HydrophobicContact CB-CG 4.3Å; F198-F211 HydrophobicContact CB-CZ 3.67Å; F198-F211 HydrophobicContact CD1-CZ 4.12Å; F198-F211 HydrophobicContact CD2-CD1 4.4Å; F198-F211 AromaticContact CD2-CD2 3.54Å; F198-F211 HydrophobicContact CD2-CD2 3.54Å; F198-F211 HydrophobicContact CD2-CE1 4.07Å; F198-F211 AromaticContact CD2-CE2 3.11Å; F198-F211 HydrophobicContact CD2-CE2 3.11Å; F198-F211 HydrophobicContact CD2-CG 4.18Å; F198-F211 AromaticContact CD2-CZ 3.41Å; F198-F211 HydrophobicContact CD2-CZ 3.41Å; F198-F211 VanDerWaalsContact CD2-CZ 3.41Å; F198-F211 HydrophobicContact CE2-CD2 4.12Å; F198-F211 AromaticContact CE2-CE2 3.47Å; F198-F211 HydrophobicContact CE2-CE2 3.47Å; F198-F211 VanDerWaalsContact CE2-CE2 3.47Å; F198-F211 AromaticContact CE2-CZ 3.98Å; F198-F211 HydrophobicContact CE2-CZ 3.98Å; F198-F211 HydrophobicContact CG-CD1 4.41Å; F198-F211 HydrophobicContact CG-CD2 4.3Å; F198-F211 AromaticContact CG-CE1 3.85Å; F198-F211 HydrophobicContact CG-CE1 3.85Å; F198-F211 AromaticContact CG-CE2 3.71Å; F198-F211 HydrophobicContact CG-CE2 3.71Å; F198-F211 AromaticContact CG-CZ 3.46Å; F198-F211 HydrophobicContact CG-CZ 3.46Å; F198-F211 VanDerWaalsContact CG-CZ 3.46Å; F198-F211 HydrophobicContact CZ-CE2 4.3Å; F198-F211 PolarHBondContact N-O 3.33Å; F198-F211 PolarHBondContact O-N 2.99Å
199S98.8Very high98.4Very high7 Ų724.1 Ų24.15%0.04913%0.131CC..EExtended strand (participates in β ladder)trans-138.1126.9176.3-158.50000112.7G69 H201 K202 F203G69-S199 PolarHBondContact N-OG 2.75Å; S199-H201 VanDerWaalsContact C-N 3.33Å; S199-H201 PolarHBondContact O-N 2.86Å; S199-H201 PolarHBondContact OG-CD2 2.9Å; S199-H201 VanDerWaalsContact OG-CD2 3.23Å; S199-K202 PolarHBondContact O-N 2.84Å; S199-K202 VanDerWaalsContact O-N 3.14Å; S199-F203 VanDerWaalsContact C-CE1 3.5Å; S199-F203 WeakPolarHBondContact O-CD1 3.42Å; S199-F203 WeakPolarHBondContact O-CE1 3.36Å
200A98.8Very high98.5Very high0 Ų023.1 Ų23.10%013%0.126CC..G310 helixtrans-59.3-39.3-168.600000114.8K202 F203 H204 G205 P206 V209 M246A200-K202 PolarHBondContact O-N 2.99Å; A200-F203 HydrophobicContact CB-CE2 4.21Å; A200-F203 HydrophobicContact CB-CZ 4.12Å; A200-F203 CarbonylContact O-C 2.95Å; A200-F203 PolarHBondContact O-N 3.45Å; A200-H204 PolarHBondContact O-N 2.78Å; A200-G205 WeakPolarHBondContact O-CA 3.47Å; A200-G205 PolarHBondContact O-N 2.94Å; A200-P206 VanDerWaalsContact CB-O 3.29Å; A200-P206 WeakPolarHBondContact CB-O 3.49Å; A200-V209 HydrophobicContact CB-CG1 3.54Å; A200-V209 VanDerWaalsContact CB-O 3.26Å; A200-V209 WeakPolarHBondContact CB-O 3.39Å; A200-V209 PolarHBondContact N-O 2.94Å; A200-V209 VanDerWaalsContact N-O 3.14Å; A200-M246 HydrophobicContact CB-CB 3.95Å; A200-M246 HydrophobicContact CB-CG 3.49Å; A200-M246 VanDerWaalsContact CB-CG 3.49Å; A200-M246 HydrophobicContact CB-SD 3.81Å
201H98.5Very high98.5Very high38 Ų3822.5 Ų22.518%0.17612%0.122CC..G310 helixtrans-70.3-0.3-177.680.6115.4000114.6A8 T9 T10 S199 R207A8-H201 PolarHBondContact O-CE1 3.39Å; A8-H201 VanDerWaalsContact O-CE1 3.27Å; T9-H201 WeakPolarHBondContact CB-ND1 3.48Å; T9-H201 PolarHBondContact OG1-ND1 3.22Å; T9-H201 VanDerWaalsContact OG1-ND1 3.09Å; T10-H201 PolarHBondContact N-O 2.89Å; T10-H201 PolarHBondContact OG1-O 3.38Å; S199-H201 VanDerWaalsContact C-N 3.33Å; S199-H201 PolarHBondContact O-N 2.86Å; S199-H201 PolarHBondContact OG-CD2 2.9Å; S199-H201 VanDerWaalsContact OG-CD2 3.23Å; H201-R207 HydrophobicContact CB-CB 4.45Å; H201-R207 HydrophobicContact CB-CG 3.67Å
202K98Very high98.6Very high26 Ų2616.5 Ų16.511%0.1138%0.083CC..G310 helixtrans-96.3-7171.1-56.5-56.8-169.5173.80114S7 A8 V177 K182 S199 A200S7-K202 PolarHBondContact O-NZ 2.72Å; A8-K202 VanDerWaalsContact C-NZ 3.3Å; A8-K202 PolarHBondContact O-NZ 2.82Å; V177-K202 HydrophobicContact CG1-CB 4.34Å; V177-K202 HydrophobicContact CG1-CD 4.31Å; V177-K202 HydrophobicContact CG1-CG 3.46Å; V177-K202 VanDerWaalsContact CG1-CG 3.46Å; K182-K202 PolarHBondContact NZ-O 2.83Å; S199-K202 PolarHBondContact O-N 2.84Å; S199-K202 VanDerWaalsContact O-N 3.14Å; A200-K202 PolarHBondContact O-N 2.99Å
203F97.9Very high98.6Very high0 Ų016 Ų160%08%0.081CC..THydrogen-bonded Turntrans-132.737.6176.252.9-99.9000111.2I180 F198 S199 A200 G205 F211 M246 A249 L250 H253I180-F203 HydrophobicContact CD1-CE1 4.37Å; I180-F203 HydrophobicContact CG2-CD1 3.58Å; I180-F203 HydrophobicContact CG2-CE1 4.05Å; I180-F203 HydrophobicContact CG2-CG 4.47Å; F198-F203 HydrophobicContact CB-CE1 4.49Å; S199-F203 VanDerWaalsContact C-CE1 3.5Å; S199-F203 WeakPolarHBondContact O-CD1 3.42Å; S199-F203 WeakPolarHBondContact O-CE1 3.36Å; A200-F203 HydrophobicContact CB-CE2 4.21Å; A200-F203 HydrophobicContact CB-CZ 4.12Å; A200-F203 CarbonylContact O-C 2.95Å; A200-F203 PolarHBondContact O-N 3.45Å; F203-G205 VanDerWaalsContact C-N 3.25Å; F203-G205 PolarHBondContact O-N 2.85Å; F203-F211 HydrophobicContact CE1-CE1 4.41Å; F203-F211 AromaticContact CZ-CE1 3.97Å; F203-F211 HydrophobicContact CZ-CE1 3.97Å; F203-M246 HydrophobicContact CE2-CG 3.74Å; F203-M246 HydrophobicContact CZ-CG 3.85Å; F203-M246 HydrophobicContact CZ-SD 4.32Å; F203-A249 HydrophobicContact CD2-CB 4.45Å; F203-L250 HydrophobicContact CD2-CB 4.02Å; F203-L250 HydrophobicContact CD2-CD1 4.29Å; F203-L250 HydrophobicContact CE2-CB 3.76Å; F203-L250 HydrophobicContact CE2-CD1 4.4Å; F203-H253 HydrophobicContact CB-CB 4.14Å; F203-H253 VanDerWaalsContact CB-CD2 3.49Å; F203-H253 WeakPolarHBondContact CB-CD2 3.36Å
204H98.5Very high98.6Very high6 Ų617.2 Ų17.23%0.0289%0.085CC..THydrogen-bonded Turntrans66.522.1172.9-49.7-89.2000114.8T10 A11 I12 Y13 A200 A249 H253 D354T10-H204 WeakPolarHBondContact CB-ND1 3.42Å; T10-H204 WeakPolarHBondContact OG1-CA 3.33Å; T10-H204 PolarHBondContact OG1-N 3.45Å; T10-H204 PolarHBondContact OG1-ND1 3.08Å; A11-H204 WeakPolarHBondContact O-CA 3.4Å; A11-H204 WeakPolarHBondContact O-CB 3.22Å; A11-H204 PolarHBondContact O-ND1 2.96Å; I12-H204 WeakPolarHBondContact CA-O 3.43Å; I12-H204 WeakPolarHBondContact CG1-O 3.33Å; Y13-H204 HydrophobicContact CD1-CB 3.86Å; Y13-H204 HydrophobicContact CD2-CB 3.39Å; Y13-H204 HydrophobicContact CE1-CB 3.85Å; Y13-H204 AromaticContact CE1-CD2 3.93Å; Y13-H204 AromaticContact CE1-CG 3.59Å; Y13-H204 AromaticContact CE1-ND1 3.81Å; Y13-H204 HydrophobicContact CE2-CB 3.4Å; Y13-H204 VanDerWaalsContact CE2-CB 3.4Å; Y13-H204 AromaticContact CE2-CD2 3.75Å; Y13-H204 AromaticContact CE2-CG 3.69Å; Y13-H204 HydrophobicContact CG-CB 3.62Å; Y13-H204 AromaticContact CZ-CD2 3.33Å; Y13-H204 AromaticContact CZ-CG 3.38Å; Y13-H204 AromaticContact CZ-NE2 3.98Å; Y13-H204 PolarHBondContact N-O 2.86Å; Y13-H204 PolarHBondContact OH-CD2 3.04Å; A200-H204 PolarHBondContact O-N 2.78Å; H204-A249 WeakPolarHBondContact O-CB 3.36Å; H204-H253 AromaticContact CD2-ND1 3.63Å; H204-H253 AromaticContact NE2-ND1 3.97Å; H204-D354 IonicContact CE1-OD2 3.51Å; H204-D354 PolarHBondContact CE1-OD2 3.16Å; H204-D354 VanDerWaalsContact CE1-OD2 3.23Å
205G98.6Very high98.6Very high2 Ų218.9 Ų18.92%0.0219%0.093CC..  trans-88.4175.216800000112.7A200 F203 A249A200-G205 WeakPolarHBondContact O-CA 3.47Å; A200-G205 PolarHBondContact O-N 2.94Å; F203-G205 VanDerWaalsContact C-N 3.25Å; F203-G205 PolarHBondContact O-N 2.85Å; G205-A249 VanDerWaalsContact CA-CB 3.42Å
206P98.5Very high98.5Very high13 Ų1323.8 Ų23.88%0.08412%0.116CC..  trans-66.5153.4176.127.4-32.2000111.8I12 Y20 A200 V209 A242 A245I12-P206 HydrophobicContact CD1-CB 4.03Å; Y20-P206 HydrophobicContact CD2-CB 4.43Å; Y20-P206 HydrophobicContact CD2-CG 4.45Å; A200-P206 VanDerWaalsContact CB-O 3.29Å; A200-P206 WeakPolarHBondContact CB-O 3.49Å; P206-V209 HydrophobicContact CG-CG1 3.8Å; P206-A242 HydrophobicContact CG-CB 4.09Å; P206-A245 HydrophobicContact CG-CB 4.03Å
207R98.2Very high98.4Very high180 Ų18027.6 Ų27.668%0.67916%0.155SC*.THydrogen-bonded Turntrans-72.5156.9167.1-62.1172.2-172.4160.92.7109.8T9 H201T9-R207 PolarHBondContact OG1-NE 3.37Å; H201-R207 HydrophobicContact CB-CB 4.45Å; H201-R207 HydrophobicContact CB-CG 3.67Å
208G98.1Very high98.3Very high45 Ų4529.9 Ų29.946%0.46417%0.165SC..THydrogen-bonded Turntrans79.718.617800000114.6S67S67-G208 CarbonylContact O-C 3.31Å; S67-G208 VanDerWaalsContact O-CA 3.25Å; S67-G208 WeakPolarHBondContact O-CA 3.24Å
209V98.8Very high98.2Very high2 Ų236.1 Ų36.11%0.01219%0.192CC..  trans-143.9145.816869.10000110.5T66 S67 A200 P206 A242 I243 M246T66-V209 WeakPolarHBondContact O-CA 3.21Å; S67-V209 PolarHBondContact O-N 3.28Å; S67-V209 VanDerWaalsContact O-N 3.12Å; A200-V209 HydrophobicContact CB-CG1 3.54Å; A200-V209 VanDerWaalsContact CB-O 3.26Å; A200-V209 WeakPolarHBondContact CB-O 3.39Å; A200-V209 PolarHBondContact N-O 2.94Å; A200-V209 VanDerWaalsContact N-O 3.14Å; P206-V209 HydrophobicContact CG-CG1 3.8Å; V209-A242 HydrophobicContact CB-CB 3.79Å; V209-A242 HydrophobicContact CG1-CB 3.82Å; V209-A242 HydrophobicContact CG2-CB 4.26Å; V209-I243 HydrophobicContact CG2-CG1 3.9Å; V209-M246 HydrophobicContact CG1-CB 3.84Å; V209-M246 HydrophobicContact CG1-CG 4.33Å; V209-M246 HydrophobicContact CG1-SD 4.06Å; V209-M246 HydrophobicContact CG2-SD 3.95Å
210G98.8Very high98.1Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-152.7-169.9172.600000109T66 F198T66-G210 PolarHBondContact N-O 2.71Å; T66-G210 PolarHBondContact O-N 2.56Å; T66-G210 VanDerWaalsContact OG1-C 3.26Å; F198-G210 WeakPolarHBondContact O-CA 3.41Å
211F98.9Very high98.1Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-155.6162171.665.7-80.1000109.7T52 L56 V63 F64 F65 T66 I180 F198 F203 M246 L250T52-F211 HydrophobicContact CG2-CD1 4.27Å; T52-F211 HydrophobicContact CG2-CD2 3.98Å; T52-F211 HydrophobicContact CG2-CE1 4.01Å; T52-F211 HydrophobicContact CG2-CE2 3.7Å; T52-F211 HydrophobicContact CG2-CG 4.25Å; T52-F211 HydrophobicContact CG2-CZ 3.72Å; L56-F211 HydrophobicContact CD1-CE2 3.47Å; L56-F211 VanDerWaalsContact CD1-CE2 3.47Å; L56-F211 HydrophobicContact CD1-CZ 3.81Å; V63-F211 HydrophobicContact CG1-CB 4.34Å; V63-F211 HydrophobicContact CG1-CD2 4.03Å; V63-F211 HydrophobicContact CG1-CG 4.44Å; F64-F211 CarbonylContact O-C 3.27Å; F64-F211 WeakPolarHBondContact O-CA 3.32Å; F64-F211 VanDerWaalsContact O-CB 3.26Å; F64-F211 WeakPolarHBondContact O-CB 3.21Å; F65-F211 HydrophobicContact CD1-CB 4Å; T66-F211 PolarHBondContact OG1-N 2.86Å; I180-F211 HydrophobicContact CD1-CE1 4.48Å; I180-F211 HydrophobicContact CD1-CZ 3.98Å; F198-F211 HydrophobicContact CB-CD1 3.81Å; F198-F211 HydrophobicContact CB-CD2 4.45Å; F198-F211 HydrophobicContact CB-CE1 3.48Å; F198-F211 VanDerWaalsContact CB-CE1 3.48Å; F198-F211 HydrophobicContact CB-CE2 4.16Å; F198-F211 HydrophobicContact CB-CG 4.3Å; F198-F211 HydrophobicContact CB-CZ 3.67Å; F198-F211 HydrophobicContact CD1-CZ 4.12Å; F198-F211 HydrophobicContact CD2-CD1 4.4Å; F198-F211 AromaticContact CD2-CD2 3.54Å; F198-F211 HydrophobicContact CD2-CD2 3.54Å; F198-F211 HydrophobicContact CD2-CE1 4.07Å; F198-F211 AromaticContact CD2-CE2 3.11Å; F198-F211 HydrophobicContact CD2-CE2 3.11Å; F198-F211 HydrophobicContact CD2-CG 4.18Å; F198-F211 AromaticContact CD2-CZ 3.41Å; F198-F211 HydrophobicContact CD2-CZ 3.41Å; F198-F211 VanDerWaalsContact CD2-CZ 3.41Å; F198-F211 HydrophobicContact CE2-CD2 4.12Å; F198-F211 AromaticContact CE2-CE2 3.47Å; F198-F211 HydrophobicContact CE2-CE2 3.47Å; F198-F211 VanDerWaalsContact CE2-CE2 3.47Å; F198-F211 AromaticContact CE2-CZ 3.98Å; F198-F211 HydrophobicContact CE2-CZ 3.98Å; F198-F211 HydrophobicContact CG-CD1 4.41Å; F198-F211 HydrophobicContact CG-CD2 4.3Å; F198-F211 AromaticContact CG-CE1 3.85Å; F198-F211 HydrophobicContact CG-CE1 3.85Å; F198-F211 AromaticContact CG-CE2 3.71Å; F198-F211 HydrophobicContact CG-CE2 3.71Å; F198-F211 AromaticContact CG-CZ 3.46Å; F198-F211 HydrophobicContact CG-CZ 3.46Å; F198-F211 VanDerWaalsContact CG-CZ 3.46Å; F198-F211 HydrophobicContact CZ-CE2 4.3Å; F198-F211 PolarHBondContact N-O 3.33Å; F198-F211 PolarHBondContact O-N 2.99Å; F203-F211 HydrophobicContact CE1-CE1 4.41Å; F203-F211 AromaticContact CZ-CE1 3.97Å; F203-F211 HydrophobicContact CZ-CE1 3.97Å; F211-M246 HydrophobicContact CB-CE 4.22Å; F211-M246 HydrophobicContact CD1-CE 3.56Å; F211-M246 HydrophobicContact CD1-SD 3.72Å; F211-M246 HydrophobicContact CE1-CE 4.31Å; F211-M246 HydrophobicContact CE1-SD 4.37Å; F211-M246 HydrophobicContact CG-CE 4.19Å; F211-L250 HydrophobicContact CE1-CD2 4.45Å; F211-L250 HydrophobicContact CZ-CD2 4.26Å
212I98.9Very high98Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-113143.1165.763.8172.6000109.3F64 T66 G72 W75 V76 A196 W214 L220F64-I212 HydrophobicContact CB-CD1 4.34Å; F64-I212 HydrophobicContact CB-CG1 3.78Å; F64-I212 PolarHBondContact N-O 3.26Å; F64-I212 PolarHBondContact O-N 3.33Å; T66-I212 HydrophobicContact CG2-CG2 4.15Å; G72-I212 VanDerWaalsContact CA-CG2 3.46Å; W75-I212 HydrophobicContact CD2-CD1 4.04Å; W75-I212 HydrophobicContact CE3-CD1 3.54Å; W75-I212 HydrophobicContact CE3-CG1 4.28Å; W75-I212 HydrophobicContact CH2-CD1 4.05Å; W75-I212 HydrophobicContact CZ2-CD1 4.48Å; W75-I212 HydrophobicContact CZ3-CD1 3.56Å; W75-I212 HydrophobicContact CZ3-CG1 4.07Å; V76-I212 HydrophobicContact CG2-CD1 4.42Å; V76-I212 HydrophobicContact CG2-CG2 4.45Å; A196-I212 CarbonylContact O-C 3.31Å; A196-I212 WeakPolarHBondContact O-CA 3.26Å; I212-W214 HydrophobicContact CD1-CB 4.37Å; I212-L220 HydrophobicContact CD1-CD2 4.24Å
213Y98.9Very high98Very high14 Ų1438 Ų386%0.05521%0.208CC..EExtended strand (participates in β ladder)trans-77.8130.8151.8167.6-108.6000107.8V58 E62 L189 F195 A196 K215V58-Y213 HydrophobicContact CB-CD2 4.1Å; V58-Y213 HydrophobicContact CB-CE2 3.9Å; V58-Y213 HydrophobicContact CG1-CD2 3.82Å; V58-Y213 HydrophobicContact CG1-CE2 3.6Å; V58-Y213 HydrophobicContact CG2-CD2 4.18Å; V58-Y213 HydrophobicContact CG2-CE2 4.47Å; E62-Y213 HydrophobicContact CB-CD2 3.88Å; E62-Y213 HydrophobicContact CB-CE2 3.73Å; E62-Y213 HydrophobicContact CG-CE2 4.23Å; E62-Y213 CarbonylContact O-C 3.45Å; E62-Y213 WeakPolarHBondContact O-CA 3.48Å; L189-Y213 HydrophobicContact CD1-CD1 3.69Å; L189-Y213 HydrophobicContact CD1-CE1 3.91Å; L189-Y213 HydrophobicContact CD1-CG 4.25Å; F195-Y213 CarbonylContact C-O 3.52Å; F195-Y213 WeakPolarHBondContact CA-O 3.31Å; A196-Y213 HydrophobicContact CB-CD1 4.34Å; A196-Y213 PolarHBondContact N-O 3.03Å; A196-Y213 PolarHBondContact O-N 2.87Å; Y213-K215 HydrophobicContact CE1-CB 4Å; Y213-K215 WeakPolarHBondContact OH-CB 3.3Å; Y213-K215 VanDerWaalsContact OH-CE 3.3Å; Y213-K215 WeakPolarHBondContact OH-CE 3.4Å
214W98.7Very high97.9Very high25 Ų2541.2 Ų41.210%0.09522%0.224CC..EExtended strand (participates in β ladder)trans-133.2106173.6174.5-3000107.4E62 F64 W75 F195 I212 E216 K218 L220 Q233E62-W214 VanDerWaalsContact CA-O 3.25Å; E62-W214 WeakPolarHBondContact CA-O 3.41Å; E62-W214 WeakPolarHBondContact CB-O 3.5Å; E62-W214 WeakPolarHBondContact CG-O 3.14Å; E62-W214 PolarHBondContact O-N 3Å; F64-W214 HydrophobicContact CD1-CE3 4.41Å; F64-W214 HydrophobicContact CD2-CB 3.92Å; F64-W214 HydrophobicContact CD2-CD2 4.49Å; F64-W214 AromaticContact CD2-CE3 3.96Å; F64-W214 HydrophobicContact CD2-CE3 3.96Å; F64-W214 HydrophobicContact CE1-CE3 4.22Å; F64-W214 HydrophobicContact CE1-CZ3 4.29Å; F64-W214 HydrophobicContact CE2-CB 4.04Å; F64-W214 HydrophobicContact CE2-CD2 4.12Å; F64-W214 AromaticContact CE2-CE3 3.75Å; F64-W214 HydrophobicContact CE2-CE3 3.75Å; F64-W214 HydrophobicContact CE2-CG 4.29Å; F64-W214 HydrophobicContact CG-CE3 4.3Å; F64-W214 AromaticContact CZ-CE3 3.89Å; F64-W214 HydrophobicContact CZ-CE3 3.89Å; F64-W214 HydrophobicContact CZ-CZ3 4.21Å; W75-W214 HydrophobicContact CH2-CZ3 4.44Å; W75-W214 HydrophobicContact CZ2-CE3 4.29Å; W75-W214 AromaticContact CZ2-CZ3 3.91Å; W75-W214 HydrophobicContact CZ2-CZ3 3.91Å; F195-W214 HydrophobicContact CD1-CB 4Å; F195-W214 AromaticContact CD1-CD1 3.91Å; F195-W214 AromaticContact CD1-CG 3.92Å; F195-W214 HydrophobicContact CD1-CG 3.92Å; F195-W214 HydrophobicContact CE1-CB 4.1Å; F195-W214 AromaticContact CE1-CD1 3.22Å; F195-W214 AromaticContact CE1-CD2 3.95Å; F195-W214 HydrophobicContact CE1-CD2 3.95Å; F195-W214 AromaticContact CE1-CG 3.49Å; F195-W214 HydrophobicContact CE1-CG 3.49Å; F195-W214 VanDerWaalsContact CE1-CG 3.49Å; F195-W214 AromaticContact CE1-NE1 3.6Å; F195-W214 AromaticContact CZ-CD1 3.91Å; F195-W214 AromaticContact CZ-NE1 4Å; I212-W214 HydrophobicContact CD1-CB 4.37Å; W214-E216 PolarHBondContact O-N 2.79Å; W214-K218 WeakPolarHBondContact CZ2-O 3.38Å; W214-K218 PolarHBondContact NE1-O 3.46Å; W214-L220 HydrophobicContact CD2-CB 4.22Å; W214-L220 HydrophobicContact CE3-CB 4.27Å; W214-L220 HydrophobicContact CE3-CD2 4.27Å; W214-L220 HydrophobicContact CH2-CB 3.57Å; W214-L220 HydrophobicContact CZ2-CB 3.5Å; W214-L220 VanDerWaalsContact CZ2-N 3.26Å; W214-L220 HydrophobicContact CZ3-CB 3.95Å; W214-L220 HydrophobicContact CZ3-CD2 4.4Å; W214-Q233 HydrophobicContact CH2-CG 4.04Å; W214-Q233 HydrophobicContact CZ3-CB 3.97Å; W214-Q233 HydrophobicContact CZ3-CG 3.79Å
215K98.5Very high97.8Very high39 Ų3947.3 Ų47.317%0.1726%0.257CS..  trans-55.9134.1178.7179.6172.8-90.1147.90112.2E62 P191 V193 D194 Y213 G217 K218E62-K215 WeakPolarHBondContact OE1-CA 3.36Å; P191-K215 PolarHBondContact O-NZ 3.28Å; V193-K215 WeakPolarHBondContact O-CE 3.27Å; V193-K215 PolarHBondContact O-NZ 3.3Å; D194-K215 WeakPolarHBondContact O-CB 3.2Å; D194-K215 PolarHBondContact O-N 2.83Å; Y213-K215 HydrophobicContact CE1-CB 4Å; Y213-K215 WeakPolarHBondContact OH-CB 3.3Å; Y213-K215 VanDerWaalsContact OH-CE 3.3Å; Y213-K215 WeakPolarHBondContact OH-CE 3.4Å; K215-G217 PolarHBondContact O-N 3.21Å; K215-K218 HydrophobicContact CB-CG 4.19Å; K215-K218 HydrophobicContact CG-CG 4.44Å; K215-K218 PolarHBondContact O-N 2.89Å
216E97.2Very high97.7Very high103 Ų10350.6 Ų50.648%0.48129%0.291SS..THydrogen-bonded Turntrans-55.8135.2176.1-175.7171.2-14500111.7K59 N61 E62 W214 K218K59-E216 WeakPolarHBondContact CD-OE2 3.37Å; K59-E216 IonicContact NZ-OE2 2.61Å; K59-E216 PolarHBondContact NZ-OE2 2.76Å; N61-E216 PolarHBondContact ND2-OE1 2.72Å; E62-E216 HydrophobicContact CG-CB 4.23Å; E62-E216 PolarHBondContact OE1-N 3.34Å; W214-E216 PolarHBondContact O-N 2.79Å; E216-K218 VanDerWaalsContact C-N 3.34Å
217G96Very high97.5Very high80 Ų8052 Ų5283%0.82531%0.308SS*.THydrogen-bonded Turntrans87.5-9.118000000115.1K215K215-G217 PolarHBondContact O-N 3.21Å
218K97.3Very high97.3Very high47 Ų4746.3 Ų46.320%0.20431%0.305CS..  trans-84.3145.5171.2-60.5-73.6166.3144.70109.9P168 D194 F195 W214 K215 E216P168-K218 PolarHBondContact O-NZ 3.23Å; D194-K218 HydrophobicContact CB-CD 4.15Å; D194-K218 HydrophobicContact CB-CG 3.94Å; D194-K218 VanDerWaalsContact CG-CE 3.48Å; D194-K218 VanDerWaalsContact CG-NZ 3.28Å; D194-K218 WeakPolarHBondContact OD1-CD 3.19Å; D194-K218 WeakPolarHBondContact OD1-CE 3.41Å; D194-K218 IonicContact OD1-NZ 3.26Å; D194-K218 PolarHBondContact OD1-NZ 2.93Å; D194-K218 IonicContact OD2-NZ 3.58Å; D194-K218 PolarHBondContact OD2-NZ 3.25Å; F195-K218 HydrophobicContact CE2-CB 4.28Å; F195-K218 HydrophobicContact CZ-CB 3.85Å; W214-K218 WeakPolarHBondContact CZ2-O 3.38Å; W214-K218 PolarHBondContact NE1-O 3.46Å; K215-K218 HydrophobicContact CB-CG 4.19Å; K215-K218 HydrophobicContact CG-CG 4.44Å; K215-K218 PolarHBondContact O-N 2.89Å; E216-K218 VanDerWaalsContact C-N 3.34Å
219K95.8Very high97.2Very high132 Ų13245.4 Ų45.457%0.57429%0.289SS*.  trans-109.1116.4-173.2-175-174.6178.2-170.70110.8A83 H171A83-K219 HydrophobicContact CB-CG 4.3Å; H171-K219 PolarHBondContact CE1-O 2.94Å
220L97.8Very high97.2Very high7 Ų745.8 Ų45.84%0.03729%0.291CS..  trans-120.8136.5177.2-164.870.6000109.3W75 V76 G79 T80 F195 I212 W214W75-L220 HydrophobicContact CD2-CD2 4.19Å; W75-L220 HydrophobicContact CG-CD2 4.09Å; W75-L220 HydrophobicContact CZ2-CD2 4.4Å; V76-L220 HydrophobicContact CG2-CD2 4.45Å; V76-L220 WeakPolarHBondContact O-CD1 3.46Å; G79-L220 VanDerWaalsContact C-CD1 3.46Å; T80-L220 VanDerWaalsContact N-CD1 3.33Å; T80-L220 WeakPolarHBondContact OG1-CD1 3.42Å; F195-L220 HydrophobicContact CD1-CD2 4.36Å; F195-L220 HydrophobicContact CE1-CB 4.02Å; F195-L220 HydrophobicContact CE1-CD1 4.13Å; F195-L220 HydrophobicContact CE1-CD2 3.95Å; F195-L220 HydrophobicContact CE1-CG 4.27Å; F195-L220 HydrophobicContact CZ-CB 4.23Å; F195-L220 HydrophobicContact CZ-CD1 4.13Å; I212-L220 HydrophobicContact CD1-CD2 4.24Å; W214-L220 HydrophobicContact CD2-CB 4.22Å; W214-L220 HydrophobicContact CE3-CB 4.27Å; W214-L220 HydrophobicContact CE3-CD2 4.27Å; W214-L220 HydrophobicContact CH2-CB 3.57Å; W214-L220 HydrophobicContact CZ2-CB 3.5Å; W214-L220 VanDerWaalsContact CZ2-N 3.26Å; W214-L220 HydrophobicContact CZ3-CB 3.95Å; W214-L220 HydrophobicContact CZ3-CD2 4.4Å
221A97.9Very high97Very high15 Ų1550.7 Ų50.712%0.12433%0.325CS..  trans-78.7144.4172.700000110.2W75 G79 I82 A83W75-A221 VanDerWaalsContact CD1-O 3.28Å; W75-A221 PolarHBondContact NE1-O 2.98Å; G79-A221 WeakPolarHBondContact CA-O 3.47Å; G79-A221 WeakPolarHBondContact O-CB 3.4Å; G79-A221 PolarHBondContact O-N 3.3Å; G79-A221 VanDerWaalsContact O-N 3.12Å; I82-A221 HydrophobicContact CB-CB 3.82Å; I82-A221 HydrophobicContact CG2-CB 3.61Å; A83-A221 HydrophobicContact CB-CB 4.14Å
222P97.8Very high96.8Very high36 Ų3652.5 Ų52.523%0.23434%0.343CS..  trans-57.5138.1173.3-25.534.6000112.2Q233P222-Q233 WeakPolarHBondContact CA-O 3.36Å; P222-Q233 VanDerWaalsContact CB-O 3.3Å; P222-Q233 WeakPolarHBondContact CB-O 3.14Å
223L96.8Very high96.7Very high53 Ų5355 Ų5528%0.27736%0.355SS..SBendtrans-83.9-37.3167.5-178.764.8000111.7E71 N74 W75 K78E71-L223 HydrophobicContact CG-CD2 4.29Å; N74-L223 HydrophobicContact CB-CD2 3.86Å; W75-L223 HydrophobicContact CB-CB 3.95Å; W75-L223 HydrophobicContact CB-CD2 4.02Å; W75-L223 HydrophobicContact CG-CB 3.83Å; K78-L223 HydrophobicContact CB-CD1 4.41Å; K78-L223 HydrophobicContact CD-CD1 3.83Å
224L97.1Very high96.7Very high66 Ų6655.6 Ų55.635%0.34636%0.357SS..SBendtrans-115104.6-178.7-59-179.9000109.3R234 A235L224-R234 HydrophobicContact CD1-CG 4.31Å; L224-A235 WeakPolarHBondContact O-CB 3.02Å; L224-A235 PolarHBondContact O-N 3.21Å
225N96.2Very high96.6Very high135 Ų13555 Ų5572%0.72236%0.358SS*.  trans-85.9147.8176.7-6363000110.9
226G96Very high96.5Very high70 Ų7056.3 Ų56.372%0.72237%0.369SS*.SBendtrans160.2-122.4-179.900000112A235G226-A235 VanDerWaalsContact CA-CB 3.44Å
227G93.4Very high96.5Very high43 Ų4355.1 Ų55.144%0.44337%0.369SS..SBendtrans-69.5-175.6177.200000114.7Q229G227-Q229 PolarHBondContact O-N 3.02Å
228G94.2Very high96.5Very high61 Ų6152.4 Ų52.463%0.62934%0.335SS*.SBendtrans-87.211.7-176.200000115.9G232G228-G232 PolarHBondContact O-N 3.44Å; G228-G232 VanDerWaalsContact O-N 3.1Å
229Q97.5Very high96.6Very high26 Ų2653.3 Ų53.312%0.12134%0.342CS..THydrogen-bonded Turntrans-62.7154.7-179.6-62.390.6-7.900111.9G227 S231 G232 Q233 R234 T236G227-Q229 PolarHBondContact O-N 3.02Å; Q229-S231 PolarHBondContact O-N 2.9Å; Q229-G232 WeakPolarHBondContact O-CA 3.4Å; Q229-G232 PolarHBondContact O-N 3.14Å; Q229-Q233 PolarHBondContact O-N 3.14Å; Q229-R234 CarbonylContact C-O 3.5Å; Q229-T236 WeakPolarHBondContact CG-O 3.3Å
230E96.9Very high96.7Very high10 Ų1047.3 Ų47.35%0.04732%0.316CS..G310 helixtrans49.646.6-177.1-63.4-62.3128.500111.4R49 F64 F65 G232 Q233 R234R49-E230 IonicContact CZ-OE1 2.72Å; R49-E230 IonicContact CZ-OE2 3.26Å; R49-E230 IonicContact NH1-OE1 3.62Å; R49-E230 IonicContact NH1-OE2 3.43Å; R49-E230 PolarHBondContact NH1-OE2 2.93Å; R49-E230 VanDerWaalsContact NH2-CD 3.33Å; R49-E230 IonicContact NH2-OE1 3.47Å; R49-E230 PolarHBondContact NH2-OE1 2.78Å; R49-E230 IonicContact NH2-OE2 3.58Å; R49-E230 PolarHBondContact NH2-OE2 2.85Å; F64-E230 VanDerWaalsContact CA-OE2 3.31Å; F64-E230 WeakPolarHBondContact CA-OE2 3.17Å; F64-E230 HydrophobicContact CD1-CB 4.12Å; F65-E230 PolarHBondContact N-OE2 3.34Å; E230-G232 VanDerWaalsContact C-N 3.26Å; E230-G232 PolarHBondContact O-N 3.25Å; E230-Q233 WeakPolarHBondContact O-CB 3.13Å; E230-Q233 WeakPolarHBondContact O-CG 3.42Å; E230-Q233 PolarHBondContact O-N 3.24Å; E230-R234 HydrophobicContact CB-CB 3.89Å; E230-R234 HydrophobicContact CG-CB 4.1Å
231S95.2Very high96.7Very high103 Ų10348 Ų4872%0.7232%0.321SS*.G310 helixtrans58.634.1-178.1-53.90000114.1Q229 Q233Q229-S231 PolarHBondContact O-N 2.9Å; S231-Q233 PolarHBondContact O-N 3.17Å
232G95.4Very high96.7Very high37 Ų3747.3 Ų47.338%0.38132%0.315SS..G310 helixtrans73.59.2-176.200000114.3G228 Q229 E230G228-G232 PolarHBondContact O-N 3.44Å; G228-G232 VanDerWaalsContact O-N 3.1Å; Q229-G232 WeakPolarHBondContact O-CA 3.4Å; Q229-G232 PolarHBondContact O-N 3.14Å; E230-G232 VanDerWaalsContact C-N 3.26Å; E230-G232 PolarHBondContact O-N 3.25Å
233Q97.2Very high96.8Very high52 Ų5245.8 Ų45.824%0.24331%0.305CS..THydrogen-bonded Turntrans-96.2-20.8-174.9-56.6-59.2-33.900113.5F64 W75 W214 P222 Q229 E230 S231F64-Q233 HydrophobicContact CD1-CB 4.31Å; F64-Q233 HydrophobicContact CE1-CB 4.03Å; F64-Q233 HydrophobicContact CE1-CG 3.93Å; W75-Q233 HydrophobicContact CH2-CB 4.02Å; W75-Q233 HydrophobicContact CZ2-CB 3.71Å; W75-Q233 WeakPolarHBondContact CZ2-O 3.39Å; W214-Q233 HydrophobicContact CH2-CG 4.04Å; W214-Q233 HydrophobicContact CZ3-CB 3.97Å; W214-Q233 HydrophobicContact CZ3-CG 3.79Å; P222-Q233 WeakPolarHBondContact CA-O 3.36Å; P222-Q233 VanDerWaalsContact CB-O 3.3Å; P222-Q233 WeakPolarHBondContact CB-O 3.14Å; Q229-Q233 PolarHBondContact O-N 3.14Å; E230-Q233 WeakPolarHBondContact O-CB 3.13Å; E230-Q233 WeakPolarHBondContact O-CG 3.42Å; E230-Q233 PolarHBondContact O-N 3.24Å; S231-Q233 PolarHBondContact O-N 3.17Å
234R97.8Very high96.9Very high27 Ų2744.4 Ų44.410%0.10230%0.299CS..SBendtrans-151.2100.9179.2-171.9-81.6-175163.5-5.2109.9E71 W75 L224 Q229 E230E71-R234 WeakPolarHBondContact OE1-CG 3.32Å; E71-R234 IonicContact OE1-CZ 3.73Å; E71-R234 IonicContact OE1-NE 3.61Å; E71-R234 PolarHBondContact OE1-NE 3.2Å; E71-R234 IonicContact OE1-NH2 2.63Å; E71-R234 PolarHBondContact OE1-NH2 2.95Å; E71-R234 IonicContact OE2-CZ 3.98Å; E71-R234 IonicContact OE2-NE 2.76Å; E71-R234 IonicContact OE2-NH2 2.76Å; E71-R234 PolarHBondContact OE2-NH2 3.13Å; W75-R234 HydrophobicContact CH2-CB 3.74Å; W75-R234 HydrophobicContact CH2-CG 4.48Å; W75-R234 HydrophobicContact CZ2-CB 4.26Å; W75-R234 HydrophobicContact CZ3-CB 3.91Å; W75-R234 HydrophobicContact CZ3-CG 4.16Å; L224-R234 HydrophobicContact CD1-CG 4.31Å; Q229-R234 CarbonylContact C-O 3.5Å; E230-R234 HydrophobicContact CB-CB 3.89Å; E230-R234 HydrophobicContact CG-CB 4.1Å
235A97.2Very high97Very high14 Ų1441.2 Ų41.212%0.11628%0.282CS..  trans-82.5125.5-176.700000113L224 G226L224-A235 WeakPolarHBondContact O-CB 3.02Å; L224-A235 PolarHBondContact O-N 3.21Å; G226-A235 VanDerWaalsContact CA-CB 3.44Å
236T96Very high97.1Very high65 Ų6534.8 Ų34.840%0.39925%0.248SC..SBendtrans171.3155.4159.2172.90000106.8Q229 E238Q229-T236 WeakPolarHBondContact CG-O 3.3Å; T236-E238 PolarHBondContact O-N 2.99Å
237T96.6Very high97.2Very high79 Ų7931.6 Ų31.649%0.48522%0.215SC..  trans-53.9133.1168.5-53.10000110.2
238E97.4Very high97.5Very high22 Ų2233.3 Ų33.310%0.10321%0.208CC..  trans-69.1132.3-173.4-57.992.4146.100110.6P31 L45 T236 L240 I243P31-E238 HydrophobicContact CG-CB 4.31Å; L45-E238 HydrophobicContact CD2-CB 4.46Å; L45-E238 HydrophobicContact CD2-CG 3.86Å; T236-E238 PolarHBondContact O-N 2.99Å; E238-L240 PolarHBondContact O-N 3.05Å; E238-I243 HydrophobicContact CB-CD1 4.17Å
239N97.7Very high97.7Very high66 Ų6630.4 Ų30.435%0.35318%0.178SC..  trans-76.466.6173.5-170.8-6.9000110A242 I243N239-A242 HydrophobicContact CB-CB 4.18Å; N239-A242 VanDerWaalsContact ND2-CB 3.31Å; N239-A242 WeakPolarHBondContact ND2-CB 3.26Å; N239-A242 PolarHBondContact O-N 2.88Å; N239-A242 VanDerWaalsContact OD1-CB 3.28Å; N239-A242 WeakPolarHBondContact OD1-CB 3.1Å; N239-A242 PolarHBondContact OD1-N 3.48Å; N239-I243 WeakPolarHBondContact O-CG1 3.35Å; N239-I243 PolarHBondContact O-N 3.28Å
240L98.2Very high97.7Very high6 Ų629.2 Ų29.23%0.03117%0.172CC..Hα-helixtrans-55.8-45.2-169.9-178.565.6000113.3T23 I27 P31 A41 L44 L45 E238 A242 I243 V244T23-L240 HydrophobicContact CG2-CG 4.2Å; I27-L240 HydrophobicContact CG2-CD2 3.77Å; P31-L240 HydrophobicContact CG-CD2 4.44Å; A41-L240 HydrophobicContact CB-CD2 3.69Å; L44-L240 HydrophobicContact CB-CD1 4.26Å; L45-L240 HydrophobicContact CB-CD1 3.88Å; L45-L240 HydrophobicContact CD1-CD1 4.42Å; E238-L240 PolarHBondContact O-N 3.05Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-A242 PolarHBondContact O-N 3.46Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-V244 HydrophobicContact CD1-CG2 3.86Å; L240-V244 HydrophobicContact CG-CG2 4.3Å; L240-V244 VanDerWaalsContact O-CG2 3.32Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.48Å
241P98.4Very high97.8Very high21 Ų2132.8 Ų32.814%0.13619%0.185CC..Hα-helixtrans-59-41.6176.3-24.135.7000112.6Y20 T23 A245Y20-P241 VanDerWaalsContact CD2-C 3.49Å; Y20-P241 HydrophobicContact CD2-CB 3.86Å; Y20-P241 WeakPolarHBondContact CD2-O 3.45Å; Y20-P241 HydrophobicContact CE1-CB 4.44Å; Y20-P241 HydrophobicContact CE2-CB 3.79Å; Y20-P241 HydrophobicContact CG-CB 4.22Å; T23-P241 HydrophobicContact CG2-CB 4.28Å; T23-P241 HydrophobicContact CG2-CG 4.26Å; P241-A245 VanDerWaalsContact O-CB 3.22Å; P241-A245 WeakPolarHBondContact O-CB 3.34Å; P241-A245 PolarHBondContact O-N 3.17Å; P241-A245 VanDerWaalsContact O-N 3.07Å
242A98.6Very high97.9Very high1 Ų129 Ų291%0.00816%0.157CC..Hα-helixtrans-68.5-4217800000112.2Y20 P206 V209 N239 L240 A245 M246Y20-A242 HydrophobicContact CD2-CB 4.36Å; Y20-A242 HydrophobicContact CE2-CB 3.9Å; P206-A242 HydrophobicContact CG-CB 4.09Å; V209-A242 HydrophobicContact CB-CB 3.79Å; V209-A242 HydrophobicContact CG1-CB 3.82Å; V209-A242 HydrophobicContact CG2-CB 4.26Å; N239-A242 HydrophobicContact CB-CB 4.18Å; N239-A242 VanDerWaalsContact ND2-CB 3.31Å; N239-A242 WeakPolarHBondContact ND2-CB 3.26Å; N239-A242 PolarHBondContact O-N 2.88Å; N239-A242 VanDerWaalsContact OD1-CB 3.28Å; N239-A242 WeakPolarHBondContact OD1-CB 3.1Å; N239-A242 PolarHBondContact OD1-N 3.48Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-A242 PolarHBondContact O-N 3.46Å; A242-A245 PolarHBondContact O-N 3.43Å; A242-M246 VanDerWaalsContact O-CB 3.24Å; A242-M246 WeakPolarHBondContact O-CB 3.18Å; A242-M246 PolarHBondContact O-N 3.16Å
243I98.8Very high98.1Very high4 Ų427.7 Ų27.72%0.02114%0.141CC..Hα-helixtrans-60.8-48.8178.9-72.9165.3000111L45 A48 F65 V209 E238 N239 L240 A245 M246 S247L45-I243 HydrophobicContact CD1-CD1 3.82Å; L45-I243 HydrophobicContact CD1-CG2 4.06Å; A48-I243 HydrophobicContact CB-CG2 3.68Å; F65-I243 HydrophobicContact CB-CD1 3.96Å; F65-I243 HydrophobicContact CB-CG1 4.19Å; F65-I243 HydrophobicContact CD1-CG1 4.07Å; F65-I243 HydrophobicContact CD1-CG2 4.07Å; F65-I243 HydrophobicContact CD2-CD1 3.77Å; F65-I243 HydrophobicContact CD2-CG1 4.14Å; F65-I243 HydrophobicContact CD2-CG2 3.93Å; F65-I243 HydrophobicContact CE1-CG2 3.69Å; F65-I243 HydrophobicContact CE2-CD1 4.41Å; F65-I243 HydrophobicContact CE2-CG2 3.5Å; F65-I243 HydrophobicContact CG-CD1 3.84Å; F65-I243 HydrophobicContact CG-CG1 3.87Å; F65-I243 HydrophobicContact CG-CG2 4.2Å; F65-I243 HydrophobicContact CZ-CG2 3.38Å; V209-I243 HydrophobicContact CG2-CG1 3.9Å; E238-I243 HydrophobicContact CB-CD1 4.17Å; N239-I243 WeakPolarHBondContact O-CG1 3.35Å; N239-I243 PolarHBondContact O-N 3.28Å; L240-I243 PolarHBondContact O-N 2.97Å; I243-A245 PolarHBondContact O-N 3.17Å; I243-M246 PolarHBondContact O-N 3.31Å; I243-S247 PolarHBondContact O-N 3.09Å
244V98.6Very high98.1Very high24 Ų2427.5 Ų27.515%0.14514%0.141CC..Hα-helixtrans-65.7-41.9179.8-179.20000110.6T19 T23 L44 A48 L240 S247 R248T19-V244 HydrophobicContact CG2-CB 4.46Å; T19-V244 HydrophobicContact CG2-CG1 3.64Å; T23-V244 HydrophobicContact CG2-CG2 4.33Å; L44-V244 HydrophobicContact CB-CG2 4.36Å; A48-V244 HydrophobicContact CB-CG2 4.27Å; L240-V244 HydrophobicContact CD1-CG2 3.86Å; L240-V244 HydrophobicContact CG-CG2 4.3Å; L240-V244 VanDerWaalsContact O-CG2 3.32Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.48Å; V244-S247 PolarHBondContact O-N 3.31Å; V244-R248 PolarHBondContact O-N 2.74Å; V244-R248 VanDerWaalsContact O-N 3.1Å
245A98.8Very high98Very high0 Ų030.4 Ų30.40%016%0.156CC..Hα-helixtrans-65.6-38.2176.400000112.8A16 Y20 P206 P241 A242 I243 R248 A249A16-A245 WeakPolarHBondContact O-CB 3.07Å; Y20-A245 HydrophobicContact CD2-CB 4.2Å; P206-A245 HydrophobicContact CG-CB 4.03Å; P241-A245 VanDerWaalsContact O-CB 3.22Å; P241-A245 WeakPolarHBondContact O-CB 3.34Å; P241-A245 PolarHBondContact O-N 3.17Å; P241-A245 VanDerWaalsContact O-N 3.07Å; A242-A245 PolarHBondContact O-N 3.43Å; I243-A245 PolarHBondContact O-N 3.17Å; A245-R248 PolarHBondContact O-N 3.42Å; A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 2.91Å
246M98.9Very high97.9Very high0 Ų033.7 Ų33.70%017%0.167CC..Hα-helixtrans-62.2-49.9174.5175.1-174.280.700111.2F65 A200 F203 V209 F211 A242 I243 R248 A249 L250F65-M246 HydrophobicContact CD1-CE 3.57Å; F65-M246 HydrophobicContact CE1-CE 3.39Å; A200-M246 HydrophobicContact CB-CB 3.95Å; A200-M246 HydrophobicContact CB-CG 3.49Å; A200-M246 VanDerWaalsContact CB-CG 3.49Å; A200-M246 HydrophobicContact CB-SD 3.81Å; F203-M246 HydrophobicContact CE2-CG 3.74Å; F203-M246 HydrophobicContact CZ-CG 3.85Å; F203-M246 HydrophobicContact CZ-SD 4.32Å; V209-M246 HydrophobicContact CG1-CB 3.84Å; V209-M246 HydrophobicContact CG1-CG 4.33Å; V209-M246 HydrophobicContact CG1-SD 4.06Å; V209-M246 HydrophobicContact CG2-SD 3.95Å; F211-M246 HydrophobicContact CB-CE 4.22Å; F211-M246 HydrophobicContact CD1-CE 3.56Å; F211-M246 HydrophobicContact CD1-SD 3.72Å; F211-M246 HydrophobicContact CE1-CE 4.31Å; F211-M246 HydrophobicContact CE1-SD 4.37Å; F211-M246 HydrophobicContact CG-CE 4.19Å; A242-M246 VanDerWaalsContact O-CB 3.24Å; A242-M246 WeakPolarHBondContact O-CB 3.18Å; A242-M246 PolarHBondContact O-N 3.16Å; I243-M246 PolarHBondContact O-N 3.31Å; M246-R248 PolarHBondContact O-N 3.5Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 3.47Å; M246-A249 VanDerWaalsContact O-N 3.08Å; M246-L250 PolarHBondContact O-N 2.86Å
247S98.7Very high97.8Very high3 Ų332.2 Ų32.22%0.02116%0.156CC..Hα-helixtrans-57.2-40.7177.9177.10000111.3A48 Q51 I243 V244 R251A48-S247 PolarHBondContact O-OG 3.41Å; Q51-S247 WeakPolarHBondContact CB-OG 3.29Å; Q51-S247 VanDerWaalsContact CD-OG 3.25Å; Q51-S247 WeakPolarHBondContact CG-OG 3.35Å; Q51-S247 PolarHBondContact NE2-O 2.89Å; Q51-S247 PolarHBondContact NE2-OG 2.91Å; I243-S247 PolarHBondContact O-N 3.09Å; V244-S247 PolarHBondContact O-N 3.31Å; S247-R251 PolarHBondContact O-N 3.04Å
248R98.6Very high97.7Very high79 Ų7932.2 Ų32.230%0.29816%0.164SC..Hα-helixtrans-66.2-44.7174.3-176.4176.6-176.2140.95.4112.2S15 T19 V244 A245 M246 L250 R251 L252S15-R248 WeakPolarHBondContact O-CD 3.38Å; S15-R248 PolarHBondContact O-NE 3.42Å; T19-R248 WeakPolarHBondContact OG1-CD 3.31Å; T19-R248 PolarHBondContact OG1-NE 3.27Å; T19-R248 PolarHBondContact OG1-NH1 3Å; V244-R248 PolarHBondContact O-N 2.74Å; V244-R248 VanDerWaalsContact O-N 3.1Å; A245-R248 PolarHBondContact O-N 3.42Å; M246-R248 PolarHBondContact O-N 3.5Å; R248-L250 VanDerWaalsContact C-N 3.33Å; R248-L250 PolarHBondContact O-N 2.83Å; R248-R251 PolarHBondContact O-N 3.1Å; R248-L252 HydrophobicContact CG-CD1 3.9Å; R248-L252 HydrophobicContact CG-CG 4.39Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.49Å; R248-L252 PolarHBondContact O-N 3.17Å
249A98.7Very high97.6Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-60.9-42.917900000111.7A16 F203 H204 G205 A245 M246 R251 L252 H253A16-A249 HydrophobicContact CB-CB 3.91Å; F203-A249 HydrophobicContact CD2-CB 4.45Å; H204-A249 WeakPolarHBondContact O-CB 3.36Å; G205-A249 VanDerWaalsContact CA-CB 3.42Å; A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 2.91Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 3.47Å; M246-A249 VanDerWaalsContact O-N 3.08Å; A249-R251 PolarHBondContact O-N 2.82Å; A249-L252 PolarHBondContact O-N 3.03Å; A249-H253 VanDerWaalsContact O-CB 3.3Å; A249-H253 WeakPolarHBondContact O-CB 3.29Å; A249-H253 PolarHBondContact O-N 3.11Å
250L98.7Very high97.4Very high1 Ų140.5 Ų40.51%0.00520%0.195CC..Hα-helixtrans-58.7-48.4175.8179.555.4000111.4T52 L55 I180 F203 F211 M246 R248 L252 H253 L254T52-L250 HydrophobicContact CG2-CD2 4.16Å; L55-L250 HydrophobicContact CB-CD2 4.29Å; L55-L250 HydrophobicContact CD1-CB 4.27Å; L55-L250 HydrophobicContact CD1-CD2 4.13Å; L55-L250 HydrophobicContact CD1-CG 3.94Å; I180-L250 HydrophobicContact CD1-CD1 3.39Å; I180-L250 HydrophobicContact CD1-CD2 4.02Å; I180-L250 HydrophobicContact CD1-CG 4.36Å; I180-L250 HydrophobicContact CG1-CD1 3.69Å; F203-L250 HydrophobicContact CD2-CB 4.02Å; F203-L250 HydrophobicContact CD2-CD1 4.29Å; F203-L250 HydrophobicContact CE2-CB 3.76Å; F203-L250 HydrophobicContact CE2-CD1 4.4Å; F211-L250 HydrophobicContact CE1-CD2 4.45Å; F211-L250 HydrophobicContact CZ-CD2 4.26Å; M246-L250 PolarHBondContact O-N 2.86Å; R248-L250 VanDerWaalsContact C-N 3.33Å; R248-L250 PolarHBondContact O-N 2.83Å; L250-L252 PolarHBondContact O-N 3.31Å; L250-H253 PolarHBondContact O-N 3.36Å; L250-L254 HydrophobicContact CD1-CD1 4.02Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.18Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.16Å
251R98.5Very high97.2Very high85 Ų8543.6 Ų43.632%0.32122%0.216SC..Hα-helixtrans-55.8-51.2176.6-171.1-179.572-162.41.9111.7L55 S247 R248 A249 H253 L254 E255L55-R251 HydrophobicContact CD1-CB 3.8Å; L55-R251 HydrophobicContact CD1-CG 4.46Å; L55-R251 HydrophobicContact CD2-CB 4.24Å; L55-R251 HydrophobicContact CD2-CG 4.07Å; S247-R251 PolarHBondContact O-N 3.04Å; R248-R251 PolarHBondContact O-N 3.1Å; A249-R251 PolarHBondContact O-N 2.82Å; R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 3.3Å; R251-L254 PolarHBondContact O-N 2.99Å; R251-E255 WeakPolarHBondContact CD-OE1 3.45Å; R251-E255 HydrophobicContact CG-CG 4.39Å; R251-E255 VanDerWaalsContact CG-OE1 3.3Å; R251-E255 WeakPolarHBondContact CG-OE1 3.47Å; R251-E255 IonicContact NE-OE1 3.41Å; R251-E255 PolarHBondContact NE-OE1 3.27Å; R251-E255 WeakPolarHBondContact O-CB 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.3Å; R251-E255 PolarHBondContact O-N 2.93Å
252L98Very high97Very high24 Ų2448 Ų4813%0.12624%0.238CC..Hα-helixtrans-63.1-36.3-179.6-68.2166.5000112.4Y13 S15 R248 A249 L250 K256Y13-L252 HydrophobicContact CD2-CB 3.74Å; Y13-L252 HydrophobicContact CD2-CD1 4Å; Y13-L252 HydrophobicContact CE2-CB 3.79Å; Y13-L252 HydrophobicContact CG-CD1 4.43Å; S15-L252 WeakPolarHBondContact OG-CD1 3.35Å; R248-L252 HydrophobicContact CG-CD1 3.9Å; R248-L252 HydrophobicContact CG-CG 4.39Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.49Å; R248-L252 PolarHBondContact O-N 3.17Å; A249-L252 PolarHBondContact O-N 3.03Å; L250-L252 PolarHBondContact O-N 3.31Å; L252-K256 WeakPolarHBondContact O-CB 3.43Å; L252-K256 VanDerWaalsContact O-CG 3.3Å; L252-K256 WeakPolarHBondContact O-CG 3.42Å; L252-K256 PolarHBondContact O-N 2.96Å
253H97.7Very high97Very high9 Ų949.2 Ų49.24%0.04224%0.243CC..Hα-helixtrans-65-44.9177.7-17759.8000110.8Y13 I180 F203 H204 A249 L250 R251 K257Y13-H253 HydrophobicContact CE2-CB 4.17Å; I180-H253 PolarHBondContact O-NE2 3.12Å; F203-H253 HydrophobicContact CB-CB 4.14Å; F203-H253 VanDerWaalsContact CB-CD2 3.49Å; F203-H253 WeakPolarHBondContact CB-CD2 3.36Å; H204-H253 AromaticContact CD2-ND1 3.63Å; H204-H253 AromaticContact NE2-ND1 3.97Å; A249-H253 VanDerWaalsContact O-CB 3.3Å; A249-H253 WeakPolarHBondContact O-CB 3.29Å; A249-H253 PolarHBondContact O-N 3.11Å; L250-H253 PolarHBondContact O-N 3.36Å; R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 3.3Å; H253-K257 WeakPolarHBondContact O-CB 3.33Å; H253-K257 PolarHBondContact O-N 2.94Å
254L97.2Very high96.9Very high48 Ų4849.2 Ų49.225%0.25124%0.244SC..Hα-helixtrans-67.3-41.6176.4-64.1175.1000112.5L55 L250 R251 K257 A258L55-L254 HydrophobicContact CB-CD1 3.91Å; L55-L254 HydrophobicContact CD2-CD1 4.01Å; L55-L254 HydrophobicContact CG-CD1 4.4Å; L250-L254 HydrophobicContact CD1-CD1 4.02Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.18Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.16Å; R251-L254 PolarHBondContact O-N 2.99Å; L254-K257 PolarHBondContact O-N 3.02Å; L254-A258 WeakPolarHBondContact O-CB 3.44Å; L254-A258 PolarHBondContact O-N 2.84Å
255E96.5Very high96.8Very high87 Ų8749.7 Ų49.741%0.40725%0.25SC..Hα-helixtrans-58.9-50.2174.4-74.2167.2177.200111.2R251 K257 A258 E259R251-E255 WeakPolarHBondContact CD-OE1 3.45Å; R251-E255 HydrophobicContact CG-CG 4.39Å; R251-E255 VanDerWaalsContact CG-OE1 3.3Å; R251-E255 WeakPolarHBondContact CG-OE1 3.47Å; R251-E255 IonicContact NE-OE1 3.41Å; R251-E255 PolarHBondContact NE-OE1 3.27Å; R251-E255 WeakPolarHBondContact O-CB 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.3Å; R251-E255 PolarHBondContact O-N 2.93Å; E255-K257 VanDerWaalsContact C-N 3.34Å; E255-K257 PolarHBondContact O-N 3.43Å; E255-A258 WeakPolarHBondContact O-CB 3.21Å; E255-A258 PolarHBondContact O-N 3Å; E255-A258 VanDerWaalsContact O-N 3.14Å; E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.05Å
256K94.9Very high96.8Very high83 Ų8353.6 Ų53.636%0.36127%0.274SS..Hα-helixtrans-62.1-39.5178.3-78173.3167.1-67.10112.8Y13 L252 A258 E259 R260Y13-K256 HydrophobicContact CE1-CD 3.86Å; Y13-K256 HydrophobicContact CE2-CD 4.3Å; Y13-K256 WeakPolarHBondContact OH-CD 3.39Å; L252-K256 WeakPolarHBondContact O-CB 3.43Å; L252-K256 VanDerWaalsContact O-CG 3.3Å; L252-K256 WeakPolarHBondContact O-CG 3.42Å; L252-K256 PolarHBondContact O-N 2.96Å; K256-A258 VanDerWaalsContact C-N 3.33Å; K256-E259 PolarHBondContact O-N 3.38Å; K256-R260 PolarHBondContact O-N 3.06Å
257K94Very high96.8Very high35 Ų3553.7 Ų53.715%0.15227%0.274CS..Hα-helixtrans-63.2-42174.8-178.460.7168.9174.70111.2G181 H253 L254 E255 E259 R260 P261 E355G181-K257 WeakPolarHBondContact O-CG 3.46Å; H253-K257 WeakPolarHBondContact O-CB 3.33Å; H253-K257 PolarHBondContact O-N 2.94Å; L254-K257 PolarHBondContact O-N 3.02Å; E255-K257 VanDerWaalsContact C-N 3.34Å; E255-K257 PolarHBondContact O-N 3.43Å; K257-E259 VanDerWaalsContact C-N 3.33Å; K257-E259 PolarHBondContact O-N 3.26Å; K257-R260 CarbonylContact O-C 3.16Å; K257-R260 VanDerWaalsContact O-C 3.27Å; K257-R260 PolarHBondContact O-N 3.18Å; K257-P261 WeakPolarHBondContact CE-O 3.5Å; K257-P261 PolarHBondContact NZ-O 2.95Å; K257-P261 WeakPolarHBondContact O-CA 3.37Å; K257-P261 VanDerWaalsContact O-N 3.08Å; K257-E355 IonicContact NZ-OE1 2.91Å
258A94.6Very high96.7Very high79 Ų7954.1 Ų54.165%0.65328%0.275SS*.Hα-helixtrans-66.1-33.7177.600000112.8L254 E255 K256 R260L254-A258 WeakPolarHBondContact O-CB 3.44Å; L254-A258 PolarHBondContact O-N 2.84Å; E255-A258 WeakPolarHBondContact O-CB 3.21Å; E255-A258 PolarHBondContact O-N 3Å; E255-A258 VanDerWaalsContact O-N 3.14Å; K256-A258 VanDerWaalsContact C-N 3.33Å; A258-R260 VanDerWaalsContact C-N 3.34Å
259E95.3Very high96.7Very high144 Ų14453.3 Ų53.367%0.67328%0.275SS*.Hα-helixtrans-66.3-33.9174.2-72171.7-179.500112.7E255 K256 K257E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.05Å; K256-E259 PolarHBondContact O-N 3.38Å; K257-E259 VanDerWaalsContact C-N 3.33Å; K257-E259 PolarHBondContact O-N 3.26Å
260R94.1Very high96.7Very high117 Ų11756.9 Ų56.944%0.44229%0.289SS..SBendtrans-13861.2-172.2-61.1-178.675.5-17412.7112.4K256 K257 A258 N262 H263 E355K256-R260 PolarHBondContact O-N 3.06Å; K257-R260 CarbonylContact O-C 3.16Å; K257-R260 VanDerWaalsContact O-C 3.27Å; K257-R260 PolarHBondContact O-N 3.18Å; A258-R260 VanDerWaalsContact C-N 3.34Å; R260-N262 PolarHBondContact O-N 3.44Å; R260-H263 HydrophobicContact CB-CB 3.78Å; R260-H263 VanDerWaalsContact CZ-CE1 3.5Å; R260-H263 VanDerWaalsContact CZ-CG 3.4Å; R260-H263 VanDerWaalsContact CZ-ND1 3.29Å; R260-H263 PolarHBondContact NH2-CE1 3.43Å; R260-H263 PolarHBondContact NH2-ND1 3.46Å; R260-H263 WeakPolarHBondContact O-CB 3.24Å; R260-H263 PolarHBondContact O-N 3.37Å; R260-H263 VanDerWaalsContact O-N 3.11Å; R260-E355 PolarHBondContact NH1-O 3.16Å
261P92.9Very high96.7Very high72 Ų7256.8 Ų56.847%0.46829%0.289SS..THydrogen-bonded Turntrans-57.7-34.9-167.221-33.5000113.9K257K257-P261 WeakPolarHBondContact CE-O 3.5Å; K257-P261 PolarHBondContact NZ-O 2.95Å; K257-P261 WeakPolarHBondContact O-CA 3.37Å; K257-P261 VanDerWaalsContact O-N 3.08Å
262N95.6Very high96.7Very high113 Ų11353.9 Ų53.960%0.60428%0.278SS*.THydrogen-bonded Turntrans-101.62.9-174.9-62.2-31000114.2R260 T264 A265 V266R260-N262 PolarHBondContact O-N 3.44Å; N262-T264 PolarHBondContact O-N 2.99Å; N262-A265 WeakPolarHBondContact O-CB 3.13Å; N262-A265 PolarHBondContact O-N 3Å; N262-V266 WeakPolarHBondContact O-CG2 3.35Å; N262-V266 PolarHBondContact O-N 3.08Å
263H97.1Very high96.7Very high27 Ų2758.5 Ų58.513%0.12530%0.299CS..Hα-helixtrans-62.3-50.7-168.6171.663.5000113.5R260 A265 V266 I267 E355 N357R260-H263 HydrophobicContact CB-CB 3.78Å; R260-H263 VanDerWaalsContact CZ-CE1 3.5Å; R260-H263 VanDerWaalsContact CZ-CG 3.4Å; R260-H263 VanDerWaalsContact CZ-ND1 3.29Å; R260-H263 PolarHBondContact NH2-CE1 3.43Å; R260-H263 PolarHBondContact NH2-ND1 3.46Å; R260-H263 WeakPolarHBondContact O-CB 3.24Å; R260-H263 PolarHBondContact O-N 3.37Å; R260-H263 VanDerWaalsContact O-N 3.11Å; H263-A265 VanDerWaalsContact C-N 3.3Å; H263-A265 PolarHBondContact O-N 2.91Å; H263-V266 PolarHBondContact O-N 3.27Å; H263-I267 WeakPolarHBondContact CE1-CD1 3.36Å; H263-I267 PolarHBondContact O-N 2.77Å; H263-E355 IonicContact CD2-OE2 3.91Å; H263-E355 PolarHBondContact CD2-OE2 3.18Å; H263-E355 IonicContact CG-OE2 2.8Å; H263-N357 PolarHBondContact CE1-O 3.2Å; H263-N357 VanDerWaalsContact CE1-O 3.27Å; H263-N357 PolarHBondContact NE2-O 2.9Å
264T97.1Very high96.7Very high4 Ų459.1 Ų59.13%0.02531%0.306CS..Hα-helixtrans-60.7-39.4174.237.60000112.2N262 V266 I267 R268 P292 H293 L353 D354 E355N262-T264 PolarHBondContact O-N 2.99Å; T264-V266 PolarHBondContact O-N 3.28Å; T264-I267 PolarHBondContact O-N 3.46Å; T264-R268 VanDerWaalsContact O-CB 3.27Å; T264-R268 WeakPolarHBondContact O-CB 3.37Å; T264-R268 PolarHBondContact O-N 2.96Å; T264-P292 CarbonylContact C-O 3.55Å; T264-P292 VanDerWaalsContact O-O 3.06Å; T264-H293 HydrophobicContact CG2-CB 4.27Å; T264-L353 HydrophobicContact CG2-CB 4.06Å; T264-D354 VanDerWaalsContact CG2-C 3.48Å; T264-D354 VanDerWaalsContact CG2-O 3.27Å; T264-D354 WeakPolarHBondContact CG2-O 3.46Å; T264-E355 WeakPolarHBondContact CG2-OE1 3.47Å; T264-E355 PolarHBondContact OG1-OE1 3.34Å
265A97.2Very high96.7Very high33 Ų3356.9 Ų56.927%0.27329%0.294SS..Hα-helixtrans-62.3-42178.400000112.5N262 H263 R268 Q269 P292N262-A265 WeakPolarHBondContact O-CB 3.13Å; N262-A265 PolarHBondContact O-N 3Å; H263-A265 VanDerWaalsContact C-N 3.3Å; H263-A265 PolarHBondContact O-N 2.91Å; A265-R268 PolarHBondContact O-N 2.97Å; A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 PolarHBondContact O-N 2.84Å; A265-P292 WeakPolarHBondContact CA-O 3.34Å; A265-P292 HydrophobicContact CB-CB 3.7Å; A265-P292 PolarHBondContact N-O 3.32Å
266V98Very high96.7Very high83 Ų8355.6 Ų55.650%0.50330%0.298SS..Hα-helixtrans-63.4-46.7178.2169.30000111.1N262 H263 T264 Q269 Y270 M359N262-V266 WeakPolarHBondContact O-CG2 3.35Å; N262-V266 PolarHBondContact O-N 3.08Å; H263-V266 PolarHBondContact O-N 3.27Å; T264-V266 PolarHBondContact O-N 3.28Å; V266-Q269 PolarHBondContact O-N 2.79Å; V266-Y270 PolarHBondContact O-N 3.1Å; V266-M359 HydrophobicContact CG1-CE 3.77Å
267I98.5Very high96.8Very high2 Ų256 Ų561%0.0131%0.312CS..Hα-helixtrans-65.4-43.9177.7-64.6174.1000110.7H263 T264 Q269 Y270 L271 L353 N357 M359 A362H263-I267 WeakPolarHBondContact CE1-CD1 3.36Å; H263-I267 PolarHBondContact O-N 2.77Å; T264-I267 PolarHBondContact O-N 3.46Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 3.31Å; I267-Y270 PolarHBondContact O-N 2.93Å; I267-L271 HydrophobicContact CG2-CD1 4.14Å; I267-L271 HydrophobicContact CG2-CG 4.46Å; I267-L271 WeakPolarHBondContact O-CG 3.38Å; I267-L271 PolarHBondContact O-N 3.39Å; I267-L353 HydrophobicContact CB-CD1 3.87Å; I267-L353 HydrophobicContact CG2-CD1 3.62Å; I267-L353 HydrophobicContact CG2-CD2 4.22Å; I267-N357 HydrophobicContact CD1-CB 4.43Å; I267-N357 WeakPolarHBondContact CD1-O 3.3Å; I267-M359 HydrophobicContact CG1-CE 4.11Å; I267-A362 HydrophobicContact CG2-CB 3.72Å
268R98.2Very high97Very high11 Ų1156.2 Ų56.24%0.04231%0.312CS..Hα-helixtrans-57.8-44.8177177.9-176.3173.4-83.62.5111.4T264 A265 L271 K272 G286 A291 P292 I294 L295 L353T264-R268 VanDerWaalsContact O-CB 3.27Å; T264-R268 WeakPolarHBondContact O-CB 3.37Å; T264-R268 PolarHBondContact O-N 2.96Å; A265-R268 PolarHBondContact O-N 2.97Å; R268-L271 PolarHBondContact O-N 3.49Å; R268-K272 WeakPolarHBondContact O-CB 3.3Å; R268-K272 PolarHBondContact O-N 2.99Å; R268-G286 PolarHBondContact NH2-O 3.31Å; R268-A291 PolarHBondContact NE-O 2.83Å; R268-P292 VanDerWaalsContact CB-O 3.27Å; R268-P292 WeakPolarHBondContact CB-O 3.22Å; R268-P292 WeakPolarHBondContact CD-O 3.37Å; R268-I294 PolarHBondContact NE-O 3.22Å; R268-L295 HydrophobicContact CG-CB 4.25Å; R268-L353 HydrophobicContact CB-CD1 4.01Å
269Q98Very high97Very high63 Ų6361.3 Ų61.329%0.29432%0.322SS..Hα-helixtrans-64.5-45.2-179.9-17360.323.600111.5A265 V266 I267 L271 K272 E273A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 PolarHBondContact O-N 2.84Å; V266-Q269 PolarHBondContact O-N 2.79Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 3.31Å; Q269-L271 PolarHBondContact O-N 3.34Å; Q269-K272 WeakPolarHBondContact O-CB 3.41Å; Q269-K272 PolarHBondContact O-N 3.28Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.34Å; Q269-E273 PolarHBondContact NE2-OE1 2.82Å; Q269-E273 WeakPolarHBondContact O-CG 3.41Å; Q269-E273 PolarHBondContact O-N 2.98Å
270Y98.5Very high97Very high74 Ų7457.4 Ų57.429%0.2930%0.303SS..Hα-helixtrans-55.3-50.4174168.4-94.4000111.8V266 I267 K272 E273 A274 M359 A362 E363 M366V266-Y270 PolarHBondContact O-N 3.1Å; I267-Y270 PolarHBondContact O-N 2.93Å; Y270-K272 VanDerWaalsContact C-N 3.32Å; Y270-K272 PolarHBondContact O-N 2.9Å; Y270-E273 PolarHBondContact O-N 3.47Å; Y270-A274 VanDerWaalsContact O-CB 3.27Å; Y270-A274 WeakPolarHBondContact O-CB 3.13Å; Y270-A274 PolarHBondContact O-N 3.33Å; Y270-M359 HydrophobicContact CD1-SD 3.7Å; Y270-M359 HydrophobicContact CD2-SD 4.14Å; Y270-M359 HydrophobicContact CE1-SD 4.29Å; Y270-M359 HydrophobicContact CG-CE 4.29Å; Y270-M359 HydrophobicContact CG-SD 3.62Å; Y270-A362 HydrophobicContact CD1-CB 3.92Å; Y270-A362 HydrophobicContact CE1-CB 4.05Å; Y270-E363 HydrophobicContact CE1-CG 4.18Å; Y270-E363 WeakPolarHBondContact OH-CG 3.43Å; Y270-M366 HydrophobicContact CE1-CG 4.01Å
271L98.6Very high97.1Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-60.9-42.7178.7-73175000111.5I267 R268 Q269 A274 L275 L295 V351 L353 A362 F365 M366I267-L271 HydrophobicContact CG2-CD1 4.14Å; I267-L271 HydrophobicContact CG2-CG 4.46Å; I267-L271 WeakPolarHBondContact O-CG 3.38Å; I267-L271 PolarHBondContact O-N 3.39Å; R268-L271 PolarHBondContact O-N 3.49Å; Q269-L271 PolarHBondContact O-N 3.34Å; L271-A274 PolarHBondContact O-N 3.45Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 WeakPolarHBondContact O-CD1 3.45Å; L271-L275 WeakPolarHBondContact O-CG 3.48Å; L271-L275 PolarHBondContact O-N 2.81Å; L271-L295 HydrophobicContact CB-CD2 3.72Å; L271-V351 HydrophobicContact CD1-CG1 3.9Å; L271-L353 HydrophobicContact CD1-CD2 4.37Å; L271-A362 HydrophobicContact CD1-CB 4.33Å; L271-A362 HydrophobicContact CD2-CB 3.78Å; L271-A362 HydrophobicContact CG-CB 3.98Å; L271-F365 HydrophobicContact CD2-CD1 3.52Å; L271-F365 HydrophobicContact CD2-CE1 4Å; L271-M366 HydrophobicContact CD2-CG 4.1Å; L271-M366 HydrophobicContact CD2-SD 4.03Å
272K98.1Very high97.2Very high24 Ų2451.9 Ų51.910%0.10428%0.281CS..Hα-helixtrans-59.8-51178.8-175.9179.6-176.9-179.20111.5R268 Q269 Y270 L275 A276 I283 S285 G286 D287 L295R268-K272 WeakPolarHBondContact O-CB 3.3Å; R268-K272 PolarHBondContact O-N 2.99Å; Q269-K272 WeakPolarHBondContact O-CB 3.41Å; Q269-K272 PolarHBondContact O-N 3.28Å; Y270-K272 VanDerWaalsContact C-N 3.32Å; Y270-K272 PolarHBondContact O-N 2.9Å; K272-L275 PolarHBondContact O-N 3.39Å; K272-A276 WeakPolarHBondContact O-CB 3.44Å; K272-A276 PolarHBondContact O-N 2.86Å; K272-I283 HydrophobicContact CD-CG2 4.49Å; K272-I283 HydrophobicContact CG-CG2 4.18Å; K272-S285 PolarHBondContact NZ-O 2.85Å; K272-G286 PolarHBondContact NZ-O 2.78Å; K272-D287 IonicContact NZ-OD1 2.68Å; K272-D287 PolarHBondContact NZ-OD1 3.36Å; K272-D287 IonicContact NZ-OD2 3.66Å; K272-D287 PolarHBondContact NZ-OD2 3.07Å; K272-L295 HydrophobicContact CB-CD1 4.09Å; K272-L295 HydrophobicContact CB-CD2 4.23Å; K272-L295 HydrophobicContact CG-CD1 4.17Å
273E97.9Very high97.3Very high121 Ų12148.5 Ų48.557%0.56526%0.262SS*.Hα-helixtrans-63.6-45.2180-71.2172.9-173.400111.6Q269 Y270 L275 A276 S277Q269-E273 WeakPolarHBondContact CG-OE1 3.34Å; Q269-E273 PolarHBondContact NE2-OE1 2.82Å; Q269-E273 WeakPolarHBondContact O-CG 3.41Å; Q269-E273 PolarHBondContact O-N 2.98Å; Y270-E273 PolarHBondContact O-N 3.47Å; E273-L275 PolarHBondContact O-N 3.49Å; E273-A276 PolarHBondContact O-N 3.08Å; E273-S277 PolarHBondContact O-N 3.32Å
274A98.1Very high97.3Very high22 Ų2248.2 Ų48.218%0.18226%0.261CS..Hα-helixtrans-63.4-44.4179.400000111.6Y270 L271 S277 Y278 M366Y270-A274 VanDerWaalsContact O-CB 3.27Å; Y270-A274 WeakPolarHBondContact O-CB 3.13Å; Y270-A274 PolarHBondContact O-N 3.33Å; L271-A274 PolarHBondContact O-N 3.45Å; A274-S277 PolarHBondContact O-N 2.89Å; A274-S277 PolarHBondContact O-OG 2.92Å; A274-Y278 WeakPolarHBondContact O-CD2 3.22Å; A274-Y278 WeakPolarHBondContact O-CE2 3.18Å; A274-M366 HydrophobicContact CB-CE 3.75Å; A274-M366 HydrophobicContact CB-CG 3.91Å; A274-M366 HydrophobicContact CB-SD 3.93Å
275L98Very high97.2Very high0 Ų048.1 Ų48.10%026%0.261CS..Hα-helixtrans-67.8-37.8176.9-73.5166.8000112.5L271 K272 E273 S277 Y278 V281 I283 L295 F297 F365 M366 F369L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 WeakPolarHBondContact O-CD1 3.45Å; L271-L275 WeakPolarHBondContact O-CG 3.48Å; L271-L275 PolarHBondContact O-N 2.81Å; K272-L275 PolarHBondContact O-N 3.39Å; E273-L275 PolarHBondContact O-N 3.49Å; L275-S277 PolarHBondContact O-N 3.34Å; L275-Y278 PolarHBondContact O-N 3.47Å; L275-V281 HydrophobicContact CB-CG1 4.27Å; L275-V281 WeakPolarHBondContact O-CB 3.18Å; L275-V281 WeakPolarHBondContact O-CG1 3.26Å; L275-I283 HydrophobicContact CB-CD1 3.87Å; L275-L295 HydrophobicContact CD1-CD2 3.87Å; L275-F297 HydrophobicContact CD1-CD1 3.62Å; L275-F297 HydrophobicContact CD1-CD2 4.23Å; L275-F297 HydrophobicContact CD1-CE1 3.51Å; L275-F297 HydrophobicContact CD1-CE2 4.15Å; L275-F297 HydrophobicContact CD1-CG 3.96Å; L275-F297 HydrophobicContact CD1-CZ 3.77Å; L275-F297 HydrophobicContact CD2-CD2 4.2Å; L275-F297 HydrophobicContact CD2-CE1 4.42Å; L275-F297 HydrophobicContact CD2-CE2 3.72Å; L275-F297 HydrophobicContact CD2-CZ 3.8Å; L275-F297 HydrophobicContact CG-CZ 4.47Å; L275-F365 HydrophobicContact CD1-CE1 4.36Å; L275-F365 HydrophobicContact CD2-CE1 4.3Å; L275-M366 HydrophobicContact CD2-CE 3.92Å; L275-M366 HydrophobicContact CD2-SD 3.96Å; L275-M366 HydrophobicContact CG-CE 4.1Å; L275-M366 HydrophobicContact CG-SD 3.86Å; L275-F369 HydrophobicContact CD2-CD1 3.78Å; L275-F369 HydrophobicContact CD2-CD2 4.05Å; L275-F369 HydrophobicContact CD2-CE1 3.55Å; L275-F369 HydrophobicContact CD2-CE2 3.84Å; L275-F369 HydrophobicContact CD2-CG 4.02Å; L275-F369 HydrophobicContact CD2-CZ 3.57Å
276A96.9Very high97.1Very high60 Ų6047.4 Ų47.450%0.49626%0.256SS..Hα-helixtrans-66.2-17.2179.400000113.5K272 E273 Y278 I283K272-A276 WeakPolarHBondContact O-CB 3.44Å; K272-A276 PolarHBondContact O-N 2.86Å; E273-A276 PolarHBondContact O-N 3.08Å; A276-Y278 PolarHBondContact O-N 3.3Å; A276-I283 HydrophobicContact CB-CG1 4.13Å
277S96.6Very high96.8Very high92 Ų9248 Ų4864%0.64326%0.256SS*.THydrogen-bonded Turntrans-70.8-14.2175.275.50000114.1E273 A274 L275E273-S277 PolarHBondContact O-N 3.32Å; A274-S277 PolarHBondContact O-N 2.89Å; A274-S277 PolarHBondContact O-OG 2.92Å; L275-S277 PolarHBondContact O-N 3.34Å
278Y96.8Very high96.6Very high39 Ų3955.6 Ų55.615%0.15329%0.292CS..SBendtrans-90.8122.8-179.6-68.6-94.8000111.4A274 L275 A276 K280 V281 M366 F369 N370 Y373A274-Y278 WeakPolarHBondContact O-CD2 3.22Å; A274-Y278 WeakPolarHBondContact O-CE2 3.18Å; L275-Y278 PolarHBondContact O-N 3.47Å; A276-Y278 PolarHBondContact O-N 3.3Å; Y278-K280 VanDerWaalsContact C-N 3.32Å; Y278-K280 PolarHBondContact O-N 3.07Å; Y278-V281 HydrophobicContact CG-CG2 4.35Å; Y278-V281 WeakPolarHBondContact O-CB 3.11Å; Y278-V281 PolarHBondContact O-N 2.97Å; Y278-M366 HydrophobicContact CE2-CE 3.69Å; Y278-F369 HydrophobicContact CD1-CE1 4.39Å; Y278-F369 HydrophobicContact CD2-CD1 4.49Å; Y278-F369 HydrophobicContact CD2-CE1 4.04Å; Y278-F369 HydrophobicContact CE1-CE1 4.49Å; Y278-F369 HydrophobicContact CE2-CD1 4.14Å; Y278-F369 HydrophobicContact CE2-CE1 4.15Å; Y278-F369 HydrophobicContact CG-CE1 4.18Å; Y278-N370 WeakPolarHBondContact CE1-OD1 3.2Å; Y278-N370 VanDerWaalsContact OH-CB 3.32Å; Y278-N370 WeakPolarHBondContact OH-CB 3.43Å; Y278-N370 PolarHBondContact OH-OD1 3.45Å; Y278-Y373 AromaticContact CD1-CD1 3.63Å; Y278-Y373 HydrophobicContact CD1-CD1 3.63Å; Y278-Y373 AromaticContact CD1-CD2 3.85Å; Y278-Y373 HydrophobicContact CD1-CD2 3.85Å; Y278-Y373 AromaticContact CD1-CE1 3.77Å; Y278-Y373 HydrophobicContact CD1-CE1 3.77Å; Y278-Y373 AromaticContact CD1-CE2 3.98Å; Y278-Y373 HydrophobicContact CD1-CE2 3.98Å; Y278-Y373 AromaticContact CD1-CG 3.67Å; Y278-Y373 HydrophobicContact CD1-CG 3.67Å; Y278-Y373 AromaticContact CD1-CZ 3.94Å; Y278-Y373 HydrophobicContact CE1-CD1 4.01Å; Y278-Y373 HydrophobicContact CE1-CG 4.06Å; Y278-Y373 HydrophobicContact CG-CD2 4.37Å; Y278-Y373 HydrophobicContact CG-CE2 4.32Å
279E95.2Very high96.6Very high186 Ų18658.5 Ų58.587%0.86931%0.308SS*.THydrogen-bonded Turntrans-54.3-39.8-174-172.5-169.716700114.6V281E279-V281 VanDerWaalsContact C-N 3.31Å
280K95.2Very high96.6Very high62 Ų6256.3 Ų56.327%0.2730%0.298SS..THydrogen-bonded Turntrans-86.70.5-179-63.5178-178.3174.40113Y278 I299 K300 Y373Y278-K280 VanDerWaalsContact C-N 3.32Å; Y278-K280 PolarHBondContact O-N 3.07Å; K280-I299 HydrophobicContact CB-CG2 4.28Å; K280-K300 HydrophobicContact CB-CB 4.15Å; K280-K300 WeakPolarHBondContact O-CB 3.49Å; K280-K300 PolarHBondContact O-N 3.48Å; K280-Y373 HydrophobicContact CB-CE2 3.93Å; K280-Y373 WeakPolarHBondContact CB-OH 3.47Å; K280-Y373 WeakPolarHBondContact CG-OH 3.38Å; K280-Y373 PolarHBondContact N-OH 3.23Å; K280-Y373 VanDerWaalsContact N-OH 3.12Å
281V96.7Very high96.5Very high17 Ų1752.8 Ų52.810%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-87.5132.5179.4172.50000110.3L275 Y278 E279 I283 F297 G298 I299 F369 Y373L275-V281 HydrophobicContact CB-CG1 4.27Å; L275-V281 WeakPolarHBondContact O-CB 3.18Å; L275-V281 WeakPolarHBondContact O-CG1 3.26Å; Y278-V281 HydrophobicContact CG-CG2 4.35Å; Y278-V281 WeakPolarHBondContact O-CB 3.11Å; Y278-V281 PolarHBondContact O-N 2.97Å; E279-V281 VanDerWaalsContact C-N 3.31Å; V281-I283 HydrophobicContact CG1-CD1 3.83Å; V281-F297 HydrophobicContact CG1-CB 4.38Å; V281-F297 HydrophobicContact CG1-CD2 4.08Å; V281-G298 CarbonylContact C-O 3.56Å; V281-G298 VanDerWaalsContact CA-O 3.3Å; V281-G298 WeakPolarHBondContact CA-O 3.37Å; V281-I299 HydrophobicContact CG2-CG1 4.23Å; V281-F369 HydrophobicContact CG2-CE1 4.19Å; V281-F369 HydrophobicContact CG2-CZ 3.88Å; V281-Y373 HydrophobicContact CG2-CD2 4.49Å; V281-Y373 HydrophobicContact CG2-CE2 4.24Å
282T96Very high96.4Very high57 Ų5754 Ų5435%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-110.2124.4168.7-59.90000108.5F284 F297 G298T282-F284 HydrophobicContact CG2-CD1 4.13Å; T282-F284 HydrophobicContact CG2-CE1 3.83Å; T282-F284 HydrophobicContact CG2-CZ 4.08Å; T282-F297 CarbonylContact O-C 3.52Å; T282-F297 WeakPolarHBondContact O-CA 3.21Å; T282-F297 WeakPolarHBondContact O-CB 3.38Å; T282-G298 PolarHBondContact N-O 3.39Å; T282-G298 PolarHBondContact O-N 3.27Å
283I97.2Very high96.4Very high42 Ų4253 Ų5322%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-90125169.4-51.5-58.5000108.2K272 L275 A276 V281 S285 L295 F297K272-I283 HydrophobicContact CD-CG2 4.49Å; K272-I283 HydrophobicContact CG-CG2 4.18Å; L275-I283 HydrophobicContact CB-CD1 3.87Å; A276-I283 HydrophobicContact CB-CG1 4.13Å; V281-I283 HydrophobicContact CG1-CD1 3.83Å; I283-S285 WeakPolarHBondContact CG2-O 3.47Å; I283-L295 HydrophobicContact CG2-CD1 3.89Å; I283-F297 HydrophobicContact CD1-CB 3.7Å
284F96.1Very high96.4Very high20 Ų2047.3 Ų47.39%0.08826%0.261CS..  trans-95.6-32.1178.6-60.1-76.5000111.9M151 T282 T296 L335 V340 I344 A348M151-F284 HydrophobicContact CE-CB 3.18Å; M151-F284 HydrophobicContact CE-CG 4.47Å; M151-F284 WeakPolarHBondContact CE-O 3.36Å; M151-F284 HydrophobicContact SD-CB 4.08Å; T282-F284 HydrophobicContact CG2-CD1 4.13Å; T282-F284 HydrophobicContact CG2-CE1 3.83Å; T282-F284 HydrophobicContact CG2-CZ 4.08Å; F284-T296 HydrophobicContact CB-CG2 4.18Å; F284-T296 HydrophobicContact CD2-CG2 3.91Å; F284-T296 HydrophobicContact CG-CG2 4.44Å; F284-T296 PolarHBondContact N-O 2.95Å; F284-L335 HydrophobicContact CB-CD2 4.04Å; F284-L335 HydrophobicContact CD1-CD2 3.65Å; F284-L335 HydrophobicContact CD2-CD2 4.47Å; F284-L335 HydrophobicContact CE1-CD2 4.18Å; F284-L335 HydrophobicContact CG-CD2 3.83Å; F284-V340 HydrophobicContact CD1-CG2 4.5Å; F284-V340 HydrophobicContact CE1-CG1 3.85Å; F284-I344 HydrophobicContact CE1-CG2 3.62Å; F284-I344 HydrophobicContact CZ-CG2 3.57Å; F284-A348 HydrophobicContact CD2-CB 4.2Å; F284-A348 HydrophobicContact CE2-CB 3.76Å; F284-A348 HydrophobicContact CZ-CB 4.45Å
285S96.4Very high96.4Very high3 Ų346.3 Ų46.32%0.02125%0.253CS..  trans-76.3132.5177.7-61.40000111.8M151 K272 I283 T296M151-S285 WeakPolarHBondContact O-CB 3.29Å; M151-S285 PolarHBondContact O-OG 3.1Å; K272-S285 PolarHBondContact NZ-O 2.85Å; I283-S285 WeakPolarHBondContact CG2-O 3.47Å; S285-T296 PolarHBondContact N-O 3.14Å; S285-T296 PolarHBondContact OG-N 3.38Å
286G94.8Very high96.4Very high17 Ų1746.3 Ų46.318%0.17525%0.253CS..  trans-79-165.4177.400000114R268 K272 F290R268-G286 PolarHBondContact NH2-O 3.31Å; K272-G286 PolarHBondContact NZ-O 2.78Å; G286-F290 VanDerWaalsContact C-CD2 3.47Å; G286-F290 VanDerWaalsContact CA-CD2 3.46Å; G286-F290 VanDerWaalsContact N-CE1 3.29Å
287D91.5Very high96.4Very high95 Ų9543.5 Ų43.551%0.50823%0.229SC..SBendtrans-107.9-63.8176.6-69.4-49.1000111.3K272 F290K272-D287 IonicContact NZ-OD1 2.68Å; K272-D287 PolarHBondContact NZ-OD1 3.36Å; K272-D287 IonicContact NZ-OD2 3.66Å; K272-D287 PolarHBondContact NZ-OD2 3.07Å; D287-F290 PolarHBondContact O-N 3.48Å
288E94.8Very high96.3Very high163 Ų16339.1 Ų39.176%0.76220%0.198SC*.THydrogen-bonded Turntrans-70.7131.2-178.3-171.5172-161.500111.5F290E288-F290 VanDerWaalsContact O-CD2 3.23Å; E288-F290 WeakPolarHBondContact O-CD2 3.38Å; E288-F290 PolarHBondContact O-N 3.03Å
289D96.4Very high96.3Very high72 Ų7237.4 Ų37.439%0.38519%0.192SC..THydrogen-bonded Turntrans5534.1-175.9-66.5-48.1000114.8F125 I154 K187F125-D289 HydrophobicContact CE1-CB 4.03Å; F125-D289 WeakPolarHBondContact CE1-O 3.24Å; F125-D289 HydrophobicContact CZ-CB 3.99Å; I154-D289 VanDerWaalsContact CB-O 3.26Å; I154-D289 WeakPolarHBondContact CB-O 3.32Å; I154-D289 WeakPolarHBondContact CG1-O 3.5Å; I154-D289 PolarHBondContact N-O 3.09Å; K187-D289 IonicContact NZ-OD1 3.04Å; K187-D289 PolarHBondContact NZ-OD1 3.42Å
290F97.8Very high96.1Very high16 Ų1635.8 Ų35.87%0.0718%0.182CC..BIsolated β-bridgetrans-106.8141.4165.3-79.1-100.9000111.7N123 F125 M151 G152 A153 G286 D287 E288N123-F290 HydrophobicContact CB-CE2 4.44Å; N123-F290 HydrophobicContact CB-CZ 4.22Å; N123-F290 WeakPolarHBondContact O-CZ 3.35Å; F125-F290 AromaticContact CE2-CE2 3.81Å; F125-F290 HydrophobicContact CE2-CE2 3.81Å; F125-F290 HydrophobicContact CE2-CZ 4.34Å; F125-F290 AromaticContact CZ-CD2 3.97Å; F125-F290 HydrophobicContact CZ-CD2 3.97Å; F125-F290 AromaticContact CZ-CE2 3.49Å; F125-F290 HydrophobicContact CZ-CE2 3.49Å; F125-F290 VanDerWaalsContact CZ-CE2 3.49Å; F125-F290 HydrophobicContact CZ-CZ 4.12Å; M151-F290 HydrophobicContact CB-CE1 4.36Å; M151-F290 VanDerWaalsContact O-CD1 3.22Å; M151-F290 WeakPolarHBondContact O-CD1 3.23Å; M151-F290 WeakPolarHBondContact O-CE1 3.33Å; G152-F290 CarbonylContact O-C 3.43Å; G152-F290 WeakPolarHBondContact O-CA 3.44Å; A153-F290 HydrophobicContact CB-CD1 4.46Å; A153-F290 HydrophobicContact CB-CE1 3.95Å; A153-F290 HydrophobicContact CB-CZ 4.16Å; G286-F290 VanDerWaalsContact C-CD2 3.47Å; G286-F290 VanDerWaalsContact CA-CD2 3.46Å; G286-F290 VanDerWaalsContact N-CE1 3.29Å; D287-F290 PolarHBondContact O-N 3.48Å; E288-F290 VanDerWaalsContact O-CD2 3.23Å; E288-F290 WeakPolarHBondContact O-CD2 3.38Å; E288-F290 PolarHBondContact O-N 3.03Å
291A97.5Very high95.9Very high0 Ų035.5 Ų35.50%020%0.197CC..  trans-61.2136.9178.600000110.5V147 G152 I154 V183 R268 H293 I294V147-A291 HydrophobicContact CG1-CB 3.68Å; G152-A291 WeakPolarHBondContact O-CB 3.49Å; G152-A291 PolarHBondContact O-N 3.48Å; I154-A291 HydrophobicContact CG1-CB 4.46Å; V183-A291 HydrophobicContact CG2-CB 4.18Å; R268-A291 PolarHBondContact NE-O 2.83Å; A291-H293 PolarHBondContact O-N 3Å; A291-I294 PolarHBondContact O-N 2.99Å
292P97Very high95.7Very high25 Ų2535.4 Ų35.416%0.16220%0.195CC..THydrogen-bonded Turntrans-69.5-7.3-168.727.8-37.1000113.9K182 T264 A265 R268K182-P292 WeakPolarHBondContact O-CD 3.3Å; K182-P292 VanDerWaalsContact O-CG 3.31Å; K182-P292 WeakPolarHBondContact O-CG 3.36Å; T264-P292 CarbonylContact C-O 3.55Å; T264-P292 VanDerWaalsContact O-O 3.06Å; A265-P292 WeakPolarHBondContact CA-O 3.34Å; A265-P292 HydrophobicContact CB-CB 3.7Å; A265-P292 PolarHBondContact N-O 3.32Å; R268-P292 VanDerWaalsContact CB-O 3.27Å; R268-P292 WeakPolarHBondContact CB-O 3.22Å; R268-P292 WeakPolarHBondContact CD-O 3.37Å
293H97.1Very high95.6Very high5 Ų539.7 Ų39.72%0.02321%0.205CC..THydrogen-bonded Turntrans-115.2-7.6-171.168.2-71.2000113.6K182 T264 A291 S352 L353K182-H293 VanDerWaalsContact CD-CE1 3.47Å; K182-H293 WeakPolarHBondContact CD-CE1 3.43Å; K182-H293 WeakPolarHBondContact CD-NE2 3.48Å; T264-H293 HydrophobicContact CG2-CB 4.27Å; A291-H293 PolarHBondContact O-N 3Å; H293-S352 CarbonylContact O-C 3.59Å; H293-S352 VanDerWaalsContact O-CA 3.22Å; H293-S352 WeakPolarHBondContact O-CA 3.48Å; H293-L353 HydrophobicContact CB-CB 4.3Å; H293-L353 WeakPolarHBondContact CB-O 3.31Å; H293-L353 PolarHBondContact O-N 3.27Å
294I98Very high95.4Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-113.4125.7-176.6-60.4176.4000110.2S7 V147 E150 R268 A291 R350S7-I294 WeakPolarHBondContact OG-CD1 3.41Å; S7-I294 WeakPolarHBondContact OG-CG1 3.44Å; V147-I294 HydrophobicContact CG1-CD1 4.49Å; E150-I294 VanDerWaalsContact O-CG2 3.3Å; E150-I294 WeakPolarHBondContact O-CG2 3.21Å; R268-I294 PolarHBondContact NE-O 3.22Å; A291-I294 PolarHBondContact O-N 2.99Å; I294-R350 HydrophobicContact CG2-CG 4.04Å
295L98.2Very high95.2Very high2 Ų239.3 Ų39.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-130.5121.8172.517663.2000109.3R268 L271 K272 L275 I283 V351R268-L295 HydrophobicContact CG-CB 4.25Å; L271-L295 HydrophobicContact CB-CD2 3.72Å; K272-L295 HydrophobicContact CB-CD1 4.09Å; K272-L295 HydrophobicContact CB-CD2 4.23Å; K272-L295 HydrophobicContact CG-CD1 4.17Å; L275-L295 HydrophobicContact CD1-CD2 3.87Å; I283-L295 HydrophobicContact CG2-CD1 3.89Å; L295-V351 HydrophobicContact CB-CB 4.42Å; L295-V351 PolarHBondContact N-O 3.24Å; L295-V351 PolarHBondContact O-N 3.41Å
296T97.9Very high95.1Very high0 Ų041.9 Ų41.90%022%0.218CC..EExtended strand (participates in β ladder)trans-116.9131.8175.1-71.40000110.4E150 M151 F284 S285 T321 A348 I349 R350E150-T296 PolarHBondContact O-OG1 3.37Å; M151-T296 HydrophobicContact CE-CG2 4.26Å; M151-T296 HydrophobicContact SD-CG2 3.79Å; F284-T296 HydrophobicContact CB-CG2 4.18Å; F284-T296 HydrophobicContact CD2-CG2 3.91Å; F284-T296 HydrophobicContact CG-CG2 4.44Å; F284-T296 PolarHBondContact N-O 2.95Å; S285-T296 PolarHBondContact N-O 3.14Å; S285-T296 PolarHBondContact OG-N 3.38Å; T296-T321 HydrophobicContact CG2-CG2 3.76Å; T296-A348 HydrophobicContact CG2-CB 4.16Å; T296-I349 VanDerWaalsContact CA-O 3.31Å; T296-I349 WeakPolarHBondContact CA-O 3.31Å; T296-R350 WeakPolarHBondContact OG1-CB 3.24Å
297F97.2Very high95.1Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-148.7168-177.772.5-84.9000110.3L275 V281 T282 I283 A348 I349 V351 F365 F369L275-F297 HydrophobicContact CD1-CD1 3.62Å; L275-F297 HydrophobicContact CD1-CD2 4.23Å; L275-F297 HydrophobicContact CD1-CE1 3.51Å; L275-F297 HydrophobicContact CD1-CE2 4.15Å; L275-F297 HydrophobicContact CD1-CG 3.96Å; L275-F297 HydrophobicContact CD1-CZ 3.77Å; L275-F297 HydrophobicContact CD2-CD2 4.2Å; L275-F297 HydrophobicContact CD2-CE1 4.42Å; L275-F297 HydrophobicContact CD2-CE2 3.72Å; L275-F297 HydrophobicContact CD2-CZ 3.8Å; L275-F297 HydrophobicContact CG-CZ 4.47Å; V281-F297 HydrophobicContact CG1-CB 4.38Å; V281-F297 HydrophobicContact CG1-CD2 4.08Å; T282-F297 CarbonylContact O-C 3.52Å; T282-F297 WeakPolarHBondContact O-CA 3.21Å; T282-F297 WeakPolarHBondContact O-CB 3.38Å; I283-F297 HydrophobicContact CD1-CB 3.7Å; F297-A348 CarbonylContact O-C 3.59Å; F297-A348 WeakPolarHBondContact O-CA 3.41Å; F297-I349 HydrophobicContact CD1-CD1 4.4Å; F297-I349 HydrophobicContact CD1-CG1 4.04Å; F297-I349 HydrophobicContact CD2-CD1 4.41Å; F297-I349 HydrophobicContact CD2-CG1 4.14Å; F297-I349 HydrophobicContact CE1-CD1 3.55Å; F297-I349 HydrophobicContact CE1-CG1 3.67Å; F297-I349 HydrophobicContact CE2-CD1 3.56Å; F297-I349 HydrophobicContact CE2-CG1 3.77Å; F297-I349 HydrophobicContact CG-CG1 4.28Å; F297-I349 HydrophobicContact CZ-CD1 3.08Å; F297-I349 HydrophobicContact CZ-CG1 3.56Å; F297-I349 PolarHBondContact N-O 3.41Å; F297-I349 WeakPolarHBondContact O-CG1 3.34Å; F297-I349 PolarHBondContact O-N 3.32Å; F297-I349 VanDerWaalsContact O-O 3.1Å; F297-V351 HydrophobicContact CE1-CG2 4.06Å; F297-F365 HydrophobicContact CE1-CZ 4.36Å; F297-F365 AromaticContact CZ-CZ 3.99Å; F297-F365 HydrophobicContact CZ-CZ 3.99Å; F297-F369 HydrophobicContact CE2-CD2 4.4Å; F297-F369 AromaticContact CE2-CE2 3.53Å; F297-F369 HydrophobicContact CE2-CE2 3.53Å; F297-F369 AromaticContact CE2-CZ 3.92Å; F297-F369 HydrophobicContact CE2-CZ 3.92Å; F297-F369 HydrophobicContact CZ-CD2 4.41Å; F297-F369 AromaticContact CZ-CE2 3.95Å; F297-F369 HydrophobicContact CZ-CE2 3.95Å
298G95.3Very high95.3Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-145.4158.717600000111.8V281 T282 T347V281-G298 CarbonylContact C-O 3.56Å; V281-G298 VanDerWaalsContact CA-O 3.3Å; V281-G298 WeakPolarHBondContact CA-O 3.37Å; T282-G298 PolarHBondContact N-O 3.39Å; T282-G298 PolarHBondContact O-N 3.27Å; G298-T347 WeakPolarHBondContact CA-O 3.39Å
299I95.2Very high95.4Very high4 Ų435.2 Ų35.22%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-106.7121172.4-53.5177.2000108.2K280 V281 G301 I302 L307 T347 F369 Y373K280-I299 HydrophobicContact CB-CG2 4.28Å; V281-I299 HydrophobicContact CG2-CG1 4.23Å; I299-G301 PolarHBondContact O-N 3.05Å; I299-I302 HydrophobicContact CB-CB 4.19Å; I299-I302 HydrophobicContact CB-CG1 4.31Å; I299-I302 HydrophobicContact CG2-CB 4.41Å; I299-I302 HydrophobicContact CG2-CG1 3.98Å; I299-I302 PolarHBondContact O-N 3.46Å; I299-L307 HydrophobicContact CD1-CD1 4.23Å; I299-L307 HydrophobicContact CD1-CD2 3.62Å; I299-L307 HydrophobicContact CG1-CD2 3.98Å; I299-T347 WeakPolarHBondContact O-CB 3.34Å; I299-T347 WeakPolarHBondContact O-CG2 3.13Å; I299-F369 HydrophobicContact CD1-CE2 3.67Å; I299-F369 HydrophobicContact CD1-CZ 3.61Å; I299-F369 HydrophobicContact CG1-CE2 4.21Å; I299-F369 HydrophobicContact CG1-CZ 3.93Å; I299-Y373 HydrophobicContact CD1-CD2 4.26Å; I299-Y373 HydrophobicContact CG2-CD2 4.28Å; I299-Y373 HydrophobicContact CG2-CE2 4.21Å
300K92.4Very high95.4Very high152 Ų15232.3 Ų32.366%0.66117%0.167SC*.THydrogen-bonded Turntrans-53.1126178.6-174.5178.2-179.9178.60111.1K280 I302K280-K300 HydrophobicContact CB-CB 4.15Å; K280-K300 WeakPolarHBondContact O-CB 3.49Å; K280-K300 PolarHBondContact O-N 3.48Å; K300-I302 VanDerWaalsContact C-N 3.32Å
301G90.7Very high95.4Very high56 Ų5631.5 Ų31.558%0.57716%0.163SC*.THydrogen-bonded Turntrans81.82178.300000115.1I299 N380I299-G301 PolarHBondContact O-N 3.05Å; G301-N380 PolarHBondContact O-ND2 2.95Å
302I92.8Very high95.4Very high14 Ų1435.5 Ų35.57%0.07218%0.182CC..SBendtrans-118.5118.7176.3-53.5-61.1000108.8I299 K300 V306 L307 T347 F376I299-I302 HydrophobicContact CB-CB 4.19Å; I299-I302 HydrophobicContact CB-CG1 4.31Å; I299-I302 HydrophobicContact CG2-CB 4.41Å; I299-I302 HydrophobicContact CG2-CG1 3.98Å; I299-I302 PolarHBondContact O-N 3.46Å; K300-I302 VanDerWaalsContact C-N 3.32Å; I302-V306 HydrophobicContact CG2-CB 4.29Å; I302-V306 HydrophobicContact CG2-CG1 4.33Å; I302-L307 HydrophobicContact CG2-CB 4.32Å; I302-T347 WeakPolarHBondContact O-CA 3.37Å; I302-T347 WeakPolarHBondContact O-CB 3.37Å; I302-T347 WeakPolarHBondContact O-CG2 3.49Å; I302-F376 HydrophobicContact CD1-CB 3.67Å; I302-F376 HydrophobicContact CD1-CD1 3.78Å; I302-F376 HydrophobicContact CD1-CG 3.79Å; I302-F376 HydrophobicContact CG1-CB 3.97Å; I302-F376 HydrophobicContact CG1-CD1 4.49Å; I302-F376 HydrophobicContact CG1-CG 4.1Å; I302-F376 HydrophobicContact CG2-CD2 4.41Å; I302-F376 HydrophobicContact CG2-CE2 4.42Å; I302-F376 HydrophobicContact CG2-CG 4.48Å; I302-F376 HydrophobicContact CG2-CZ 4.5Å
303R92.7Very high95.4Very high147 Ų14741 Ų4156%0.55521%0.206SC*.  trans-63.3141.7176-57.4-168.2-49.8146.911.3110.3E305 V306 L307R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 PolarHBondContact O-N 3.46Å; R303-V306 HydrophobicContact CB-CG2 4.18Å; R303-V306 WeakPolarHBondContact O-CB 2.92Å; R303-V306 PolarHBondContact O-N 2.92Å; R303-L307 PolarHBondContact O-N 2.92Å
304G93.2Very high95.4Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-54.2-42.7-178.100000112.2V306 L307 V308 T346G304-V306 VanDerWaalsContact C-N 3.27Å; G304-V306 PolarHBondContact O-N 3.49Å; G304-L307 PolarHBondContact O-N 2.89Å; G304-L307 VanDerWaalsContact O-N 3.14Å; G304-V308 WeakPolarHBondContact O-CG2 3.31Å; G304-V308 PolarHBondContact O-N 3.23Å; G304-T346 PolarHBondContact N-O 2.93Å
305E92.7Very high95.4Very high54 Ų5451.2 Ų51.225%0.25225%0.252SS..Hα-helixtrans-62-34.1-180-57.785.4172.700112.8R303 H309 T320R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 PolarHBondContact O-N 3.46Å; E305-H309 PolarHBondContact O-CD2 2.88Å; E305-H309 PolarHBondContact O-N 3.43Å; E305-T320 HydrophobicContact CG-CG2 4.17Å
306V94.6Very high95.4Very high57 Ų5751.2 Ų51.235%0.34525%0.251SS..Hα-helixtrans-67-43178.2176.90000110I302 R303 G304 A310 F376I302-V306 HydrophobicContact CG2-CB 4.29Å; I302-V306 HydrophobicContact CG2-CG1 4.33Å; R303-V306 HydrophobicContact CB-CG2 4.18Å; R303-V306 WeakPolarHBondContact O-CB 2.92Å; R303-V306 PolarHBondContact O-N 2.92Å; G304-V306 VanDerWaalsContact C-N 3.27Å; G304-V306 PolarHBondContact O-N 3.49Å; V306-A310 WeakPolarHBondContact O-CB 3.33Å; V306-A310 PolarHBondContact O-N 2.96Å; V306-F376 HydrophobicContact CG1-CE1 3.84Å; V306-F376 HydrophobicContact CG1-CZ 3.93Å
307L94.7Very high95.4Very high2 Ų254 Ų541%0.0126%0.264CS..Hα-helixtrans-69.8-40178-17756.9000111.9I299 I302 R303 G304 H309 A310 L311 I349 F369 L372 F376I299-L307 HydrophobicContact CD1-CD1 4.23Å; I299-L307 HydrophobicContact CD1-CD2 3.62Å; I299-L307 HydrophobicContact CG1-CD2 3.98Å; I302-L307 HydrophobicContact CG2-CB 4.32Å; R303-L307 PolarHBondContact O-N 2.92Å; G304-L307 PolarHBondContact O-N 2.89Å; G304-L307 VanDerWaalsContact O-N 3.14Å; L307-H309 PolarHBondContact O-N 3.15Å; L307-A310 PolarHBondContact O-N 3.37Å; L307-L311 HydrophobicContact CD1-CD1 4.22Å; L307-L311 HydrophobicContact CD1-CG 4.27Å; L307-L311 HydrophobicContact CG-CD1 4.04Å; L307-L311 WeakPolarHBondContact O-CB 3.4Å; L307-L311 WeakPolarHBondContact O-CG 3.03Å; L307-L311 PolarHBondContact O-N 2.69Å; L307-I349 HydrophobicContact CB-CG2 4.41Å; L307-I349 HydrophobicContact CD2-CD1 3.39Å; L307-I349 HydrophobicContact CD2-CG1 4.06Å; L307-I349 HydrophobicContact CD2-CG2 4.29Å; L307-I349 HydrophobicContact CG-CD1 3.95Å; L307-F369 HydrophobicContact CD2-CE2 4.31Å; L307-L372 HydrophobicContact CD1-CD1 4.28Å; L307-F376 HydrophobicContact CD1-CE2 3.98Å
308V96.1Very high95.4Very high25 Ų2554.4 Ų54.415%0.15227%0.266CS..Hα-helixtrans-57.2-49.5174.7170.70000110.8G304 A310 L311 E312 V318 T320 I349G304-V308 WeakPolarHBondContact O-CG2 3.31Å; G304-V308 PolarHBondContact O-N 3.23Å; V308-A310 PolarHBondContact O-N 3.22Å; V308-L311 PolarHBondContact O-N 2.93Å; V308-E312 WeakPolarHBondContact O-CB 3.36Å; V308-E312 PolarHBondContact O-N 2.66Å; V308-V318 HydrophobicContact CG2-CG2 4.06Å; V308-T320 HydrophobicContact CB-CG2 4.47Å; V308-T320 HydrophobicContact CG2-CG2 3.56Å; V308-I349 HydrophobicContact CG2-CG2 3.9Å
309H96.2Very high95.4Very high108 Ų10855.7 Ų55.750%0.528%0.275SS..Hα-helixtrans-65.6-37.9178-72.9-50.9000112.9E305 L307 L311 E312 E313E305-H309 PolarHBondContact O-CD2 2.88Å; E305-H309 PolarHBondContact O-N 3.43Å; L307-H309 PolarHBondContact O-N 3.15Å; H309-L311 VanDerWaalsContact C-N 3.29Å; H309-L311 PolarHBondContact O-N 3.47Å; H309-E312 IonicContact CE1-OE2 3.88Å; H309-E312 IonicContact ND1-OE2 2.83Å; H309-E312 PolarHBondContact ND1-OE2 3.19Å; H309-E312 VanDerWaalsContact ND1-OE2 3.09Å; H309-E312 WeakPolarHBondContact O-CB 3.01Å; H309-E312 PolarHBondContact O-N 3.26Å; H309-E313 WeakPolarHBondContact O-CG 3.3Å; H309-E313 PolarHBondContact O-N 2.8Å
310A96.6Very high95.2Very high11 Ų1156.4 Ų56.49%0.09128%0.28CS..Hα-helixtrans-64.9-33.8176.400000112.7V306 L307 V308 L372 F376V306-A310 WeakPolarHBondContact O-CB 3.33Å; V306-A310 PolarHBondContact O-N 2.96Å; L307-A310 PolarHBondContact O-N 3.37Å; V308-A310 PolarHBondContact O-N 3.22Å; A310-L372 HydrophobicContact CB-CD1 4.02Å; A310-L372 HydrophobicContact CB-CD2 3.99Å; A310-F376 HydrophobicContact CB-CE2 4.29Å; A310-F376 HydrophobicContact CB-CZ 3.95Å
311L97.4Very high94.6Very high0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-73.3-38.9173-73.4168.1000111.6L307 V308 H309 E313 K314 Q315 I316 V318 I349 F365 I368 L372L307-L311 HydrophobicContact CD1-CD1 4.22Å; L307-L311 HydrophobicContact CD1-CG 4.27Å; L307-L311 HydrophobicContact CG-CD1 4.04Å; L307-L311 WeakPolarHBondContact O-CB 3.4Å; L307-L311 WeakPolarHBondContact O-CG 3.03Å; L307-L311 PolarHBondContact O-N 2.69Å; V308-L311 PolarHBondContact O-N 2.93Å; H309-L311 VanDerWaalsContact C-N 3.29Å; H309-L311 PolarHBondContact O-N 3.47Å; L311-E313 VanDerWaalsContact C-N 3.35Å; L311-E313 PolarHBondContact O-N 3.04Å; L311-K314 CarbonylContact O-C 3.55Å; L311-K314 WeakPolarHBondContact O-CA 3.49Å; L311-K314 WeakPolarHBondContact O-CB 3.37Å; L311-K314 PolarHBondContact O-N 2.91Å; L311-Q315 PolarHBondContact O-N 2.73Å; L311-I316 CarbonylContact C-O 3.42Å; L311-I316 HydrophobicContact CB-CB 4.12Å; L311-I316 HydrophobicContact CB-CG2 4.38Å; L311-I316 HydrophobicContact CD2-CB 4.36Å; L311-I316 HydrophobicContact CD2-CD1 4.16Å; L311-I316 HydrophobicContact CD2-CG2 4.32Å; L311-I316 PolarHBondContact O-N 2.87Å; L311-V318 HydrophobicContact CB-CG2 4.42Å; L311-V318 HydrophobicContact CD1-CG2 3.57Å; L311-I349 HydrophobicContact CD1-CD1 4.18Å; L311-F365 HydrophobicContact CD1-CE2 4.12Å; L311-F365 HydrophobicContact CD2-CD2 4.33Å; L311-F365 HydrophobicContact CD2-CE2 3.96Å; L311-I368 HydrophobicContact CD2-CG2 4.28Å; L311-L372 HydrophobicContact CD2-CD1 3.69Å; L311-L372 HydrophobicContact CG-CD1 3.97Å
312E97Very high93.2Very high83 Ų8347.6 Ų47.639%0.38823%0.228SC..Hα-helixtrans-60.3-41.5176.4-178.7-179.7-163.300111.9V308 H309 K314 Q315 I316 F317V308-E312 WeakPolarHBondContact O-CB 3.36Å; V308-E312 PolarHBondContact O-N 2.66Å; H309-E312 IonicContact CE1-OE2 3.88Å; H309-E312 IonicContact ND1-OE2 2.83Å; H309-E312 PolarHBondContact ND1-OE2 3.19Å; H309-E312 VanDerWaalsContact ND1-OE2 3.09Å; H309-E312 WeakPolarHBondContact O-CB 3.01Å; H309-E312 PolarHBondContact O-N 3.26Å; E312-K314 PolarHBondContact O-N 3.22Å; E312-Q315 WeakPolarHBondContact O-CA 3.49Å; E312-Q315 PolarHBondContact O-N 3.07Å; E312-I316 WeakPolarHBondContact CA-O 3.43Å; E312-I316 PolarHBondContact N-O 3.15Å; E312-F317 HydrophobicContact CG-CE1 3.97Å
313E97.4Very high90.8Very high141 Ų14150.7 Ų50.766%0.65926%0.255SS*.THydrogen-bonded Turntrans-56.8-23.7172.1-74.7179.2-174.900112.7H309 L311H309-E313 WeakPolarHBondContact O-CG 3.3Å; H309-E313 PolarHBondContact O-N 2.8Å; L311-E313 VanDerWaalsContact C-N 3.35Å; L311-E313 PolarHBondContact O-N 3.04Å
314K97.6Very high88.4Confident115 Ų11547.4 Ų47.450%0.525%0.254SS..THydrogen-bonded Turntrans-99.112.4175.9-55.7-59-177.9-171.30113.3L311 E312 I316 I368L311-K314 CarbonylContact O-C 3.55Å; L311-K314 WeakPolarHBondContact O-CA 3.49Å; L311-K314 WeakPolarHBondContact O-CB 3.37Å; L311-K314 PolarHBondContact O-N 2.91Å; E312-K314 PolarHBondContact O-N 3.22Å; K314-I316 VanDerWaalsContact C-N 3.27Å; K314-I316 HydrophobicContact CB-CG1 4.47Å; K314-I316 PolarHBondContact O-N 3.35Å; K314-I368 HydrophobicContact CB-CD1 4.23Å; K314-I368 HydrophobicContact CB-CG2 3.87Å; K314-I368 HydrophobicContact CG-CG2 3.77Å
315Q97.8Very high85.6Confident105 Ų10551 Ų5149%0.49128%0.279SS..THydrogen-bonded Turntrans61.434-178.3-59.1-70.8-69.300113.1M1 I2 L311 E312M1-Q315 CarbonylContact C-O 3.58Å; M1-Q315 VanDerWaalsContact CA-O 3.25Å; M1-Q315 WeakPolarHBondContact CA-O 3.41Å; I2-Q315 PolarHBondContact N-O 3.1Å; L311-Q315 PolarHBondContact O-N 2.73Å; E312-Q315 WeakPolarHBondContact O-CA 3.49Å; E312-Q315 PolarHBondContact O-N 3.07Å
316I98.4Very high82.9Confident1 Ų153.6 Ų53.61%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-113121.8172.8-54.9-172.9000108.4I2 L311 E312 K314 F365 I368I2-I316 HydrophobicContact CB-CG1 4.17Å; I2-I316 HydrophobicContact CB-CG2 4.36Å; I2-I316 HydrophobicContact CD1-CD1 4.11Å; I2-I316 HydrophobicContact CD1-CG1 4.15Å; I2-I316 HydrophobicContact CG2-CG2 4.42Å; I2-I316 WeakPolarHBondContact O-CA 2.89Å; L311-I316 CarbonylContact C-O 3.42Å; L311-I316 HydrophobicContact CB-CB 4.12Å; L311-I316 HydrophobicContact CB-CG2 4.38Å; L311-I316 HydrophobicContact CD2-CB 4.36Å; L311-I316 HydrophobicContact CD2-CD1 4.16Å; L311-I316 HydrophobicContact CD2-CG2 4.32Å; L311-I316 PolarHBondContact O-N 2.87Å; E312-I316 WeakPolarHBondContact CA-O 3.43Å; E312-I316 PolarHBondContact N-O 3.15Å; K314-I316 VanDerWaalsContact C-N 3.27Å; K314-I316 HydrophobicContact CB-CG1 4.47Å; K314-I316 PolarHBondContact O-N 3.35Å; I316-F365 HydrophobicContact CD1-CB 4.4Å; I316-F365 HydrophobicContact CD1-CD2 4.01Å; I316-F365 HydrophobicContact CG2-CD2 3.85Å; I316-F365 HydrophobicContact CG2-CE2 4.33Å; I316-I368 HydrophobicContact CD1-CB 4.04Å; I316-I368 HydrophobicContact CD1-CD1 3.69Å; I316-I368 HydrophobicContact CD1-CG1 4.46Å; I316-I368 HydrophobicContact CD1-CG2 3.95Å; I316-I368 HydrophobicContact CG1-CD1 4.41Å
317F98Very high80.2Confident59 Ų5962 Ų6226%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-109.6117.7-175.6-62.3-89.4000110.1M1 I2 Y3 F4 D5 E312M1-F317 HydrophobicContact CG-CD2 3.81Å; M1-F317 HydrophobicContact CG-CE2 3.68Å; M1-F317 HydrophobicContact SD-CD2 4.16Å; M1-F317 HydrophobicContact SD-CE2 3.87Å; I2-F317 PolarHBondContact O-N 2.85Å; Y3-F317 HydrophobicContact CD2-CB 3.85Å; Y3-F317 HydrophobicContact CD2-CG 4.46Å; Y3-F317 HydrophobicContact CE2-CB 4.32Å; F4-F317 CarbonylContact C-O 3.51Å; F4-F317 VanDerWaalsContact C-O 3.31Å; F4-F317 WeakPolarHBondContact CA-O 3.36Å; F4-F317 WeakPolarHBondContact CB-O 3.25Å; F4-F317 PolarHBondContact N-O 3.48Å; D5-F317 PolarHBondContact N-O 3.48Å; E312-F317 HydrophobicContact CG-CE1 3.97Å
318V97.3Very high77.5Confident9 Ų970 Ų706%0.05536%0.364CS..  trans-134.6168.5176.7-71.90000108.4F4 V308 L311 V351F4-V318 HydrophobicContact CB-CG1 3.77Å; F4-V318 HydrophobicContact CD2-CG1 4.5Å; V308-V318 HydrophobicContact CG2-CG2 4.06Å; L311-V318 HydrophobicContact CB-CG2 4.42Å; L311-V318 HydrophobicContact CD1-CG2 3.57Å; V318-V351 HydrophobicContact CG1-CG2 3.83Å
319S94.7Very high74.8Confident26 Ų2679.5 Ų79.518%0.18240%0.403CS..EExtended strand (participates in β ladder)trans-113.1160.7177.7-176.70000111.7D5 I349 R350D5-S319 WeakPolarHBondContact OD1-CB 3.5Å; S319-I349 CarbonylContact O-C 3.16Å; S319-I349 WeakPolarHBondContact O-CA 3.13Å; S319-R350 PolarHBondContact N-O 3.13Å; S319-R350 PolarHBondContact O-N 3.3Å
320T90.6Very high72.1Confident19 Ų1978 Ų7812%0.11740%0.401CS..EExtended strand (participates in β ladder)trans-86.4164.9159.564.80000110.2E305 V308E305-T320 HydrophobicContact CG-CG2 4.17Å; V308-T320 HydrophobicContact CB-CG2 4.47Å; V308-T320 HydrophobicContact CG2-CG2 3.56Å
321T79.6Confident70Confident8 Ų879.5 Ų79.55%0.04941%0.408CS..SBendtrans-91.6-9.2167.358.70000112.5E150 T296 A348 R350E150-T321 HydrophobicContact CB-CG2 3.82Å; E150-T321 HydrophobicContact CG-CG2 4.02Å; T296-T321 HydrophobicContact CG2-CG2 3.76Å; T321-A348 HydrophobicContact CG2-CB 4.35Å; T321-A348 WeakPolarHBondContact OG1-CB 3.44Å; T321-R350 HydrophobicContact CG2-CB 4.46Å
322S60.8Low68.1Low16 Ų1682.4 Ų82.411%0.11243%0.428CS..  trans-111.827.8-168.45.10000113.5C324S322-C324 PolarHBondContact O-N 3.32Å
323A44.1Very low67.3Low78 Ų7880 Ų8065%0.64542%0.42SS*.THydrogen-bonded Turntrans-60.9-3.4-170.400000116.2
324C41.5Very low67.1Low78 Ų7873.5 Ų73.553%0.52739%0.39SS..THydrogen-bonded Turntrans-138.317.3-174.3-87.50000117.6S322 S326S322-C324 PolarHBondContact O-N 3.32Å; C324-S326 VanDerWaalsContact C-N 3.26Å; C324-S326 PolarHBondContact O-N 3.05Å
325S35Very low66.9Low75 Ų7568 Ų6852%0.52437%0.367SS..THydrogen-bonded Turntrans-79.6-0.3178.362.80000115R327S325-R327 VanDerWaalsContact C-N 3.32Å; S325-R327 PolarHBondContact O-N 2.74Å
326S36.6Very low66.7Low109 Ų10968.4 Ų68.476%0.76237%0.368SS*.THydrogen-bonded Turntrans-71.2-13.5-168.864.60000115.6C324C324-S326 VanDerWaalsContact C-N 3.26Å; C324-S326 PolarHBondContact O-N 3.05Å
327R36.3Very low66.4Low234 Ų23469.6 Ų69.688%0.88338%0.378SS*.SBendtrans-145.6-8.7-179.5-70.1-168.2-177.2174.11.9120.3S325S325-R327 VanDerWaalsContact C-N 3.32Å; S325-R327 PolarHBondContact O-N 2.74Å
328K38.9Very low66.3Low171 Ų17167.6 Ų67.674%0.74337%0.37SS*.  trans-145.3133.1176.8-79-171.8175.7-177.90112.8V330K328-V330 HydrophobicContact CB-CG2 4.46Å; K328-V330 PolarHBondContact O-N 2.8Å
329K39Very low66.2Low224 Ų22470 Ų7097%0.97440%0.397SS*.THydrogen-bonded Turntrans-58.34.9-178.9-86.4-176.2173.2-177.30116.5
330V40.3Very low66.1Low76 Ų7669.9 Ų69.946%0.46140%0.395SS..THydrogen-bonded Turntrans-101.9-26.1-161.9-154.30000113.1E106 K328 S332E106-V330 HydrophobicContact CG-CG1 4.36Å; E106-V330 WeakPolarHBondContact OE1-CG1 3.35Å; K328-V330 HydrophobicContact CB-CG2 4.46Å; K328-V330 PolarHBondContact O-N 2.8Å; V330-S332 PolarHBondContact O-N 2.68Å
331D51.1Low66.2Low43 Ų4372.5 Ų72.523%0.2341%0.412CS..  trans-83.487.4174.5-60.9-38.7000109.3R103 S333R103-D331 IonicContact CZ-OD1 2.85Å; R103-D331 IonicContact CZ-OD2 3.34Å; R103-D331 IonicContact NE-OD1 3.42Å; R103-D331 PolarHBondContact NE-OD1 3.13Å; R103-D331 IonicContact NE-OD2 2.72Å; R103-D331 IonicContact NH2-OD1 3.96Å; R103-D331 IonicContact NH2-OD2 3.73Å; R103-D331 PolarHBondContact NH2-OD2 2.64Å; D331-S333 PolarHBondContact O-N 3.32Å; D331-S333 VanDerWaalsContact O-N 3.12Å
332S57.9Low66.6Low60 Ų6078.5 Ų78.542%0.4244%0.439SS..  trans-67.1108.8164.762.50000108V330V330-S332 PolarHBondContact O-N 2.68Å
333S80.7Confident68Low33 Ų3382.9 Ų82.923%0.23146%0.461CS..  trans-57.7157.3174.261.80000110.9D331 L335 H336 A337D331-S333 PolarHBondContact O-N 3.32Å; D331-S333 VanDerWaalsContact O-N 3.12Å; S333-L335 PolarHBondContact O-N 3.37Å; S333-L335 VanDerWaalsContact O-N 3.15Å; S333-H336 WeakPolarHBondContact O-CA 3.27Å; S333-H336 WeakPolarHBondContact O-CB 3.32Å; S333-H336 PolarHBondContact O-N 3.45Å; S333-H336 PolarHBondContact OG-N 2.96Å; S333-A337 PolarHBondContact O-N 2.99Å
334T92.8Very high70.3Confident5 Ų581.9 Ų81.93%0.03145%0.445CS..Hα-helixtrans-52.3-42.6179.3-530000111.1V96 N148 E150 M151 H336 A337 M338V96-T334 HydrophobicContact CB-CG2 4.06Å; V96-T334 HydrophobicContact CG1-CG2 3.72Å; N148-T334 PolarHBondContact ND2-OG1 3.28Å; N148-T334 VanDerWaalsContact ND2-OG1 3.08Å; E150-T334 VanDerWaalsContact CD-OG1 3.27Å; E150-T334 WeakPolarHBondContact OE2-CB 3.47Å; E150-T334 PolarHBondContact OE2-N 3.1Å; E150-T334 PolarHBondContact OE2-OG1 3.33Å; M151-T334 HydrophobicContact CB-CG2 4.39Å; M151-T334 HydrophobicContact CG-CG2 3.52Å; T334-H336 VanDerWaalsContact C-N 3.32Å; T334-H336 PolarHBondContact O-N 2.83Å; T334-A337 WeakPolarHBondContact O-CB 3.33Å; T334-A337 PolarHBondContact O-N 2.73Å; T334-A337 VanDerWaalsContact O-N 3.16Å; T334-M338 HydrophobicContact CG2-CG 4.46Å; T334-M338 HydrophobicContact CG2-SD 3.87Å; T334-M338 VanDerWaalsContact O-CG 3.23Å; T334-M338 WeakPolarHBondContact O-CG 3.21Å; T334-M338 PolarHBondContact O-N 3.1Å
335L93.8Very high72.7Confident0 Ų078.5 Ų78.50%042%0.422CS..Hα-helixtrans-61.4-37.6177.3-68171.3000112.8M151 F284 S333 M338 G339 V340 A345 A348M151-L335 HydrophobicContact CE-CD2 4.41Å; M151-L335 HydrophobicContact SD-CD2 3.68Å; M151-L335 HydrophobicContact SD-CG 4.25Å; F284-L335 HydrophobicContact CB-CD2 4.04Å; F284-L335 HydrophobicContact CD1-CD2 3.65Å; F284-L335 HydrophobicContact CD2-CD2 4.47Å; F284-L335 HydrophobicContact CE1-CD2 4.18Å; F284-L335 HydrophobicContact CG-CD2 3.83Å; S333-L335 PolarHBondContact O-N 3.37Å; S333-L335 VanDerWaalsContact O-N 3.15Å; L335-M338 HydrophobicContact CD2-CE 4.36Å; L335-M338 HydrophobicContact CD2-SD 4.09Å; L335-M338 WeakPolarHBondContact O-CB 3.47Å; L335-M338 PolarHBondContact O-N 3.16Å; L335-G339 PolarHBondContact O-N 3.24Å; L335-V340 HydrophobicContact CB-CB 4.11Å; L335-V340 HydrophobicContact CB-CG2 4.29Å; L335-V340 HydrophobicContact CD2-CG2 3.98Å; L335-V340 VanDerWaalsContact O-CB 3.23Å; L335-V340 WeakPolarHBondContact O-CB 3.25Å; L335-V340 WeakPolarHBondContact O-CG2 3.22Å; L335-V340 PolarHBondContact O-N 2.98Å; L335-A345 HydrophobicContact CB-CB 3.87Å; L335-A345 HydrophobicContact CD1-CB 4.12Å; L335-A348 HydrophobicContact CD1-CB 3.35Å
336H92.4Very high75.4Confident113 Ų11376.7 Ų76.752%0.52341%0.408SS..Hα-helixtrans-67.9-41.2174.8-170.666000111.6S333 T334 M338 G339S333-H336 WeakPolarHBondContact O-CA 3.27Å; S333-H336 WeakPolarHBondContact O-CB 3.32Å; S333-H336 PolarHBondContact O-N 3.45Å; S333-H336 PolarHBondContact OG-N 2.96Å; T334-H336 VanDerWaalsContact C-N 3.32Å; T334-H336 PolarHBondContact O-N 2.83Å; H336-M338 PolarHBondContact O-N 3.47Å; H336-G339 PolarHBondContact O-N 2.78Å
337A93.8Very high78.1Confident26 Ų2671.8 Ų71.822%0.21537%0.373CS..Hα-helixtrans-62.3-31.9174.800000112.4V96 V120 S333 T334 G339V96-A337 HydrophobicContact CG1-CB 3.81Å; V120-A337 HydrophobicContact CG2-CB 3.89Å; V120-A337 WeakPolarHBondContact CG2-O 3.35Å; S333-A337 PolarHBondContact O-N 2.99Å; T334-A337 WeakPolarHBondContact O-CB 3.33Å; T334-A337 PolarHBondContact O-N 2.73Å; T334-A337 VanDerWaalsContact O-N 3.16Å; A337-G339 PolarHBondContact O-N 3.49Å
338M95.2Very high80.9Confident17 Ų1760.7 Ų60.78%0.08433%0.331CS..THydrogen-bonded Turntrans-73.4-6.6171.9-66.5161.46700113.8V120 Q122 M151 T334 L335 H336 V340V120-M338 HydrophobicContact CG2-CG 4.26Å; Q122-M338 WeakPolarHBondContact O-CE 3.39Å; M151-M338 HydrophobicContact CE-CE 4.19Å; M151-M338 HydrophobicContact CG-CE 4.45Å; M151-M338 HydrophobicContact CG-SD 3.72Å; M151-M338 HydrophobicContact SD-SD 4.25Å; T334-M338 HydrophobicContact CG2-CG 4.46Å; T334-M338 HydrophobicContact CG2-SD 3.87Å; T334-M338 VanDerWaalsContact O-CG 3.23Å; T334-M338 WeakPolarHBondContact O-CG 3.21Å; T334-M338 PolarHBondContact O-N 3.1Å; L335-M338 HydrophobicContact CD2-CE 4.36Å; L335-M338 HydrophobicContact CD2-SD 4.09Å; L335-M338 WeakPolarHBondContact O-CB 3.47Å; L335-M338 PolarHBondContact O-N 3.16Å; H336-M338 PolarHBondContact O-N 3.47Å; M338-V340 HydrophobicContact CB-CG2 4.16Å
339G94.4Very high83.7Confident60 Ų6052.5 Ų52.562%0.61930%0.296SS*.THydrogen-bonded Turntrans78.417.6-176.600000114.5L335 H336 A337L335-G339 PolarHBondContact O-N 3.24Å; H336-G339 PolarHBondContact O-N 2.78Å; A337-G339 PolarHBondContact O-N 3.49Å
340V93.3Very high86.5Confident23 Ų2342.4 Ų42.414%0.13925%0.252CS..  trans-68.8130.1175.5-179.80000109.4F284 L335 M338 I344 A345F284-V340 HydrophobicContact CD1-CG2 4.5Å; F284-V340 HydrophobicContact CE1-CG1 3.85Å; L335-V340 HydrophobicContact CB-CB 4.11Å; L335-V340 HydrophobicContact CB-CG2 4.29Å; L335-V340 HydrophobicContact CD2-CG2 3.98Å; L335-V340 VanDerWaalsContact O-CB 3.23Å; L335-V340 WeakPolarHBondContact O-CB 3.25Å; L335-V340 WeakPolarHBondContact O-CG2 3.22Å; L335-V340 PolarHBondContact O-N 2.98Å; M338-V340 HydrophobicContact CB-CG2 4.16Å; V340-I344 HydrophobicContact CG1-CB 4.02Å; V340-I344 HydrophobicContact CG1-CG2 3.83Å; V340-A345 HydrophobicContact CG1-CB 4.15Å
341P92.1Very high89.2Confident73 Ų7338.8 Ų38.847%0.47423%0.23SC..  trans-52.7141.4175.4-29.136.9000112.6D343 I344 A345P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 WeakPolarHBondContact CB-OD1 3.48Å; P341-D343 PolarHBondContact O-N 2.97Å; P341-I344 HydrophobicContact CB-CD1 4.26Å; P341-I344 HydrophobicContact CB-CG1 4.39Å; P341-I344 HydrophobicContact CG-CD1 4.16Å; P341-I344 PolarHBondContact O-N 2.72Å; P341-I344 VanDerWaalsContact O-N 3.12Å; P341-A345 PolarHBondContact O-N 3.26Å
342H89.8Confident91.5Very high134 Ų13436.8 Ų36.862%0.6222%0.219SC*.Hα-helixtrans-58.9-42.7-172.4179.769000113.1I344 A345 T346H342-I344 VanDerWaalsContact C-N 3.29Å; H342-I344 PolarHBondContact O-N 2.72Å; H342-A345 PolarHBondContact O-N 2.68Å; H342-T346 VanDerWaalsContact O-CG2 3.32Å; H342-T346 WeakPolarHBondContact O-CG2 3.35Å; H342-T346 PolarHBondContact O-N 2.91Å
343D88.9Confident93.4Very high108 Ų10834.1 Ų34.158%0.57820%0.2SC*.Hα-helixtrans-58.8-41.2177.661.8-39000111.7P341 T346P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 WeakPolarHBondContact CB-OD1 3.48Å; P341-D343 PolarHBondContact O-N 2.97Å; D343-T346 PolarHBondContact O-OG1 3.04Å
344I92Very high94.1Very high58 Ų5833.5 Ų33.530%0.29719%0.194SC..Hα-helixtrans-71.8-44.6175.6-61.5176.9000110.9F284 V340 P341 H342 T346 T347F284-I344 HydrophobicContact CE1-CG2 3.62Å; F284-I344 HydrophobicContact CZ-CG2 3.57Å; V340-I344 HydrophobicContact CG1-CB 4.02Å; V340-I344 HydrophobicContact CG1-CG2 3.83Å; P341-I344 HydrophobicContact CB-CD1 4.26Å; P341-I344 HydrophobicContact CB-CG1 4.39Å; P341-I344 HydrophobicContact CG-CD1 4.16Å; P341-I344 PolarHBondContact O-N 2.72Å; P341-I344 VanDerWaalsContact O-N 3.12Å; H342-I344 VanDerWaalsContact C-N 3.29Å; H342-I344 PolarHBondContact O-N 2.72Å; I344-T346 VanDerWaalsContact C-N 3.25Å; I344-T346 PolarHBondContact O-N 2.92Å; I344-T347 WeakPolarHBondContact O-CB 3.31Å; I344-T347 PolarHBondContact O-N 3.18Å; I344-T347 PolarHBondContact O-OG1 3.19Å
345A92.1Very high94.2Very high7 Ų734.2 Ų34.26%0.05820%0.197CC..Hα-helixtrans-60.8-33-177.300000113L335 V340 P341 H342 T347 A348L335-A345 HydrophobicContact CB-CB 3.87Å; L335-A345 HydrophobicContact CD1-CB 4.12Å; V340-A345 HydrophobicContact CG1-CB 4.15Å; P341-A345 PolarHBondContact O-N 3.26Å; H342-A345 PolarHBondContact O-N 2.68Å; A345-T347 PolarHBondContact O-N 3.37Å; A345-A348 WeakPolarHBondContact O-CB 3.32Å; A345-A348 PolarHBondContact O-N 3.44Å
346T92.1Very high94.2Very high37 Ų3737.8 Ų37.823%0.22723%0.226CC..THydrogen-bonded Turntrans-69.6-10.6176.462.30000114.1G304 H342 D343 I344G304-T346 PolarHBondContact N-O 2.93Å; H342-T346 VanDerWaalsContact O-CG2 3.32Å; H342-T346 WeakPolarHBondContact O-CG2 3.35Å; H342-T346 PolarHBondContact O-N 2.91Å; D343-T346 PolarHBondContact O-OG1 3.04Å; I344-T346 VanDerWaalsContact C-N 3.25Å; I344-T346 PolarHBondContact O-N 2.92Å
347T94.2Very high94.5Very high6 Ų632.7 Ų32.74%0.03720%0.203CC..THydrogen-bonded Turntrans-86.9-10.3177.172.10000113.2G298 I299 I302 I344 A345G298-T347 WeakPolarHBondContact CA-O 3.39Å; I299-T347 WeakPolarHBondContact O-CB 3.34Å; I299-T347 WeakPolarHBondContact O-CG2 3.13Å; I302-T347 WeakPolarHBondContact O-CA 3.37Å; I302-T347 WeakPolarHBondContact O-CB 3.37Å; I302-T347 WeakPolarHBondContact O-CG2 3.49Å; I344-T347 WeakPolarHBondContact O-CB 3.31Å; I344-T347 PolarHBondContact O-N 3.18Å; I344-T347 PolarHBondContact O-OG1 3.19Å; A345-T347 PolarHBondContact O-N 3.37Å
348A95.4Very high94.7Very high0 Ų034.2 Ų34.20%021%0.21CC..EExtended strand (participates in β ladder)trans-72.3132.5-16700000113.6F284 T296 F297 T321 L335 A345F284-A348 HydrophobicContact CD2-CB 4.2Å; F284-A348 HydrophobicContact CE2-CB 3.76Å; F284-A348 HydrophobicContact CZ-CB 4.45Å; T296-A348 HydrophobicContact CG2-CB 4.16Å; F297-A348 CarbonylContact O-C 3.59Å; F297-A348 WeakPolarHBondContact O-CA 3.41Å; T321-A348 HydrophobicContact CG2-CB 4.35Å; T321-A348 WeakPolarHBondContact OG1-CB 3.44Å; L335-A348 HydrophobicContact CD1-CB 3.35Å; A345-A348 WeakPolarHBondContact O-CB 3.32Å; A345-A348 PolarHBondContact O-N 3.44Å
349I96Very high94.8Very high0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-124.9146.4170.262.2160.2000109.8T296 F297 L307 V308 L311 S319T296-I349 VanDerWaalsContact CA-O 3.31Å; T296-I349 WeakPolarHBondContact CA-O 3.31Å; F297-I349 HydrophobicContact CD1-CD1 4.4Å; F297-I349 HydrophobicContact CD1-CG1 4.04Å; F297-I349 HydrophobicContact CD2-CD1 4.41Å; F297-I349 HydrophobicContact CD2-CG1 4.14Å; F297-I349 HydrophobicContact CE1-CD1 3.55Å; F297-I349 HydrophobicContact CE1-CG1 3.67Å; F297-I349 HydrophobicContact CE2-CD1 3.56Å; F297-I349 HydrophobicContact CE2-CG1 3.77Å; F297-I349 HydrophobicContact CG-CG1 4.28Å; F297-I349 HydrophobicContact CZ-CD1 3.08Å; F297-I349 HydrophobicContact CZ-CG1 3.56Å; F297-I349 PolarHBondContact N-O 3.41Å; F297-I349 WeakPolarHBondContact O-CG1 3.34Å; F297-I349 PolarHBondContact O-N 3.32Å; F297-I349 VanDerWaalsContact O-O 3.1Å; L307-I349 HydrophobicContact CB-CG2 4.41Å; L307-I349 HydrophobicContact CD2-CD1 3.39Å; L307-I349 HydrophobicContact CD2-CG1 4.06Å; L307-I349 HydrophobicContact CD2-CG2 4.29Å; L307-I349 HydrophobicContact CG-CD1 3.95Å; V308-I349 HydrophobicContact CG2-CG2 3.9Å; L311-I349 HydrophobicContact CD1-CD1 4.18Å; S319-I349 CarbonylContact O-C 3.16Å; S319-I349 WeakPolarHBondContact O-CA 3.13Å
350R97.7Very high95Very high11 Ų1136.3 Ų36.34%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-112.7124-179.2-176.5-17069.9-154.8-7.1109.7D5 S7 N149 I294 T296 S319 T321D5-R350 IonicContact OD1-CZ 3.09Å; D5-R350 IonicContact OD1-NE 2.69Å; D5-R350 IonicContact OD1-NH2 3.83Å; D5-R350 PolarHBondContact OD1-NH2 3.09Å; S7-R350 VanDerWaalsContact CB-CZ 3.5Å; N149-R350 WeakPolarHBondContact O-CD 3.39Å; N149-R350 PolarHBondContact O-NH1 2.75Å; I294-R350 HydrophobicContact CG2-CG 4.04Å; T296-R350 WeakPolarHBondContact OG1-CB 3.24Å; S319-R350 PolarHBondContact N-O 3.13Å; S319-R350 PolarHBondContact O-N 3.3Å; T321-R350 HydrophobicContact CG2-CB 4.46Å
351V98.2Very high95.3Very high1 Ų137.4 Ų37.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-93.7131.2159.51660000108.1F4 L271 L295 F297 V318 L353 F365F4-V351 HydrophobicContact CB-CG1 4.01Å; F4-V351 HydrophobicContact CB-CG2 4.41Å; F4-V351 HydrophobicContact CD2-CG1 4.06Å; F4-V351 HydrophobicContact CD2-CG2 4.22Å; F4-V351 HydrophobicContact CG-CG1 4.05Å; L271-V351 HydrophobicContact CD1-CG1 3.9Å; L295-V351 HydrophobicContact CB-CB 4.42Å; L295-V351 PolarHBondContact N-O 3.24Å; L295-V351 PolarHBondContact O-N 3.41Å; F297-V351 HydrophobicContact CE1-CG2 4.06Å; V318-V351 HydrophobicContact CG1-CG2 3.83Å; V351-L353 HydrophobicContact CG1-CD2 3.8Å; V351-L353 HydrophobicContact CG1-CG 4.17Å; V351-F365 HydrophobicContact CG2-CZ 4.39Å
352S98.3Very high95.6Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-135.8120.817649.70000111.1F4 D5 N6 S7 H293F4-S352 CarbonylContact C-O 3.38Å; F4-S352 WeakPolarHBondContact CA-O 3.39Å; F4-S352 PolarHBondContact O-N 3.45Å; F4-S352 PolarHBondContact O-OG 3.32Å; F4-S352 VanDerWaalsContact O-OG 3.12Å; D5-S352 VanDerWaalsContact CA-OG 3.24Å; D5-S352 WeakPolarHBondContact CA-OG 3.14Å; N6-S352 WeakPolarHBondContact CB-O 3.41Å; N6-S352 PolarHBondContact N-O 3.21Å; N6-S352 PolarHBondContact N-OG 3.49Å; N6-S352 PolarHBondContact ND2-O 2.98Å; S7-S352 PolarHBondContact N-OG 3.22Å; S7-S352 WeakPolarHBondContact OG-CB 3.41Å; H293-S352 CarbonylContact O-C 3.59Å; H293-S352 VanDerWaalsContact O-CA 3.22Å; H293-S352 WeakPolarHBondContact O-CA 3.48Å
353L98.2Very high96Very high5 Ų532.2 Ų32.23%0.02619%0.188CC..  trans-99.8162.7-169.2-54.2173000111.9F4 T264 I267 R268 L271 H293 V351 N357F4-L353 HydrophobicContact CD1-CD2 3.64Å; F4-L353 HydrophobicContact CE1-CD2 3.74Å; F4-L353 HydrophobicContact CG-CD2 4.25Å; F4-L353 HydrophobicContact CZ-CD2 4.39Å; T264-L353 HydrophobicContact CG2-CB 4.06Å; I267-L353 HydrophobicContact CB-CD1 3.87Å; I267-L353 HydrophobicContact CG2-CD1 3.62Å; I267-L353 HydrophobicContact CG2-CD2 4.22Å; R268-L353 HydrophobicContact CB-CD1 4.01Å; L271-L353 HydrophobicContact CD1-CD2 4.37Å; H293-L353 HydrophobicContact CB-CB 4.3Å; H293-L353 WeakPolarHBondContact CB-O 3.31Å; H293-L353 PolarHBondContact O-N 3.27Å; V351-L353 HydrophobicContact CG1-CD2 3.8Å; V351-L353 HydrophobicContact CG1-CG 4.17Å; L353-N357 WeakPolarHBondContact CA-OD1 3.38Å; L353-N357 HydrophobicContact CD2-CB 4.3Å
354D96Very high96.4Very high20 Ų2032.2 Ų32.211%0.10719%0.185CC..  trans-134-176.8166.573.76.3000111.3N6 H204 T264 A356 N357N6-D354 HydrophobicContact CB-CB 4.27Å; N6-D354 PolarHBondContact OD1-OD2 3.01Å; H204-D354 IonicContact CE1-OD2 3.51Å; H204-D354 PolarHBondContact CE1-OD2 3.16Å; H204-D354 VanDerWaalsContact CE1-OD2 3.23Å; T264-D354 VanDerWaalsContact CG2-C 3.48Å; T264-D354 VanDerWaalsContact CG2-O 3.27Å; T264-D354 WeakPolarHBondContact CG2-O 3.46Å; D354-A356 PolarHBondContact O-N 2.79Å; D354-A356 WeakPolarHBondContact OD1-CA 3.42Å; D354-A356 WeakPolarHBondContact OD1-CB 3.43Å; D354-A356 PolarHBondContact OD1-N 3.4Å; D354-N357 PolarHBondContact N-OD1 2.96Å; D354-N357 PolarHBondContact O-N 2.95Å; D354-N357 PolarHBondContact OD1-N 3.41Å; D354-N357 PolarHBondContact OD1-OD1 3.47Å
355E94.4Very high96.7Very high20 Ų2029.5 Ų29.59%0.09317%0.17CC..THydrogen-bonded Turntrans-72.4-10.8-179.6-62.2-55.7141.400114.2K257 R260 H263 T264K257-E355 IonicContact NZ-OE1 2.91Å; R260-E355 PolarHBondContact NH1-O 3.16Å; H263-E355 IonicContact CD2-OE2 3.91Å; H263-E355 PolarHBondContact CD2-OE2 3.18Å; H263-E355 IonicContact CG-OE2 2.8Å; T264-E355 WeakPolarHBondContact CG2-OE1 3.47Å; T264-E355 PolarHBondContact OG1-OE1 3.34Å
356A94.3Very high97Very high74 Ų7429.8 Ų29.861%0.61217%0.171SC*.THydrogen-bonded Turntrans-90.3-23.717700000112.4D354D354-A356 PolarHBondContact O-N 2.79Å; D354-A356 WeakPolarHBondContact OD1-CA 3.42Å; D354-A356 WeakPolarHBondContact OD1-CB 3.43Å; D354-A356 PolarHBondContact OD1-N 3.4Å
357N97.6Very high97.3Very high6 Ų632 Ų323%0.03218%0.184CC..  trans-59.5149175.6-69.9130000112.1Y3 F4 N6 H263 I267 L353 D354 E361Y3-N357 PolarHBondContact O-ND2 2.9Å; F4-N357 HydrophobicContact CE1-CB 4.34Å; N6-N357 PolarHBondContact ND2-OD1 3.44Å; H263-N357 PolarHBondContact CE1-O 3.2Å; H263-N357 VanDerWaalsContact CE1-O 3.27Å; H263-N357 PolarHBondContact NE2-O 2.9Å; I267-N357 HydrophobicContact CD1-CB 4.43Å; I267-N357 WeakPolarHBondContact CD1-O 3.3Å; L353-N357 WeakPolarHBondContact CA-OD1 3.38Å; L353-N357 HydrophobicContact CD2-CB 4.3Å; D354-N357 PolarHBondContact N-OD1 2.96Å; D354-N357 PolarHBondContact O-N 2.95Å; D354-N357 PolarHBondContact OD1-N 3.41Å; D354-N357 PolarHBondContact OD1-OD1 3.47Å; N357-E361 WeakPolarHBondContact CA-OE2 3.49Å; N357-E361 PolarHBondContact ND2-OE2 3.37Å
358T97.9Very high97.5Very high59 Ų5933 Ų3336%0.36219%0.189SC..  trans-123.2158.9-17671.30000113A360 E361 A362T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 2.97Å; T358-E361 PolarHBondContact N-OE2 2.99Å; T358-E361 WeakPolarHBondContact O-CB 3.33Å; T358-E361 PolarHBondContact O-N 3.21Å; T358-E361 WeakPolarHBondContact OG1-CG 3.44Å; T358-E361 PolarHBondContact OG1-N 3.44Å; T358-A362 PolarHBondContact O-N 3.24Å
359M98.3Very high97.6Very high60 Ų6033 Ų3330%0.29619%0.189SC..Hα-helixtrans-62-36.9173.7-170.459.274.500111.6V266 I267 Y270 E361 A362 E363V266-M359 HydrophobicContact CG1-CE 3.77Å; I267-M359 HydrophobicContact CG1-CE 4.11Å; Y270-M359 HydrophobicContact CD1-SD 3.7Å; Y270-M359 HydrophobicContact CD2-SD 4.14Å; Y270-M359 HydrophobicContact CE1-SD 4.29Å; Y270-M359 HydrophobicContact CG-CE 4.29Å; Y270-M359 HydrophobicContact CG-SD 3.62Å; M359-E361 VanDerWaalsContact C-N 3.3Å; M359-E361 PolarHBondContact O-N 2.59Å; M359-A362 WeakPolarHBondContact O-CA 3.43Å; M359-A362 WeakPolarHBondContact O-CB 3.38Å; M359-A362 PolarHBondContact O-N 2.91Å; M359-A362 HydrophobicContact SD-CB 4.31Å; M359-E363 HydrophobicContact CG-CG 4.42Å; M359-E363 WeakPolarHBondContact O-CG 3.3Å; M359-E363 PolarHBondContact O-N 3.5Å
360A98.5Very high97.7Very high61 Ų6135.6 Ų35.650%0.50420%0.203SC..Hα-helixtrans-61.6-37.6176.400000112.4T358 Q364T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 2.97Å; A360-Q364 VanDerWaalsContact O-CB 3.29Å; A360-Q364 WeakPolarHBondContact O-CB 3.48Å; A360-Q364 PolarHBondContact O-N 3.25Å
361E98.5Very high97.6Very high45 Ų4540.8 Ų40.821%0.2123%0.227CC..Hα-helixtrans-64.9-39.9172.3-71.2174151.900111.5I2 F4 N357 T358 M359 Q364 F365I2-E361 HydrophobicContact CD1-CB 4.37Å; I2-E361 WeakPolarHBondContact CD1-O 3.5Å; I2-E361 HydrophobicContact CG1-CB 4.26Å; I2-E361 HydrophobicContact CG1-CG 4.21Å; I2-E361 HydrophobicContact CG2-CB 4.11Å; F4-E361 HydrophobicContact CE1-CB 4.34Å; F4-E361 HydrophobicContact CZ-CB 4.13Å; N357-E361 WeakPolarHBondContact CA-OE2 3.49Å; N357-E361 PolarHBondContact ND2-OE2 3.37Å; T358-E361 PolarHBondContact N-OE2 2.99Å; T358-E361 WeakPolarHBondContact O-CB 3.33Å; T358-E361 PolarHBondContact O-N 3.21Å; T358-E361 WeakPolarHBondContact OG1-CG 3.44Å; T358-E361 PolarHBondContact OG1-N 3.44Å; M359-E361 VanDerWaalsContact C-N 3.3Å; M359-E361 PolarHBondContact O-N 2.59Å; E361-Q364 PolarHBondContact O-N 2.88Å; E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.24Å; E361-F365 PolarHBondContact O-N 2.87Å
362A98.6Very high97.5Very high0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-65.9-42.8177.100000112.4I267 Y270 L271 T358 M359 F365 M366I267-A362 HydrophobicContact CG2-CB 3.72Å; Y270-A362 HydrophobicContact CD1-CB 3.92Å; Y270-A362 HydrophobicContact CE1-CB 4.05Å; L271-A362 HydrophobicContact CD1-CB 4.33Å; L271-A362 HydrophobicContact CD2-CB 3.78Å; L271-A362 HydrophobicContact CG-CB 3.98Å; T358-A362 PolarHBondContact O-N 3.24Å; M359-A362 WeakPolarHBondContact O-CA 3.43Å; M359-A362 WeakPolarHBondContact O-CB 3.38Å; M359-A362 PolarHBondContact O-N 2.91Å; M359-A362 HydrophobicContact SD-CB 4.31Å; A362-F365 WeakPolarHBondContact O-CB 3.42Å; A362-F365 PolarHBondContact O-N 3.32Å; A362-M366 WeakPolarHBondContact O-CG 3.42Å; A362-M366 PolarHBondContact O-N 3.42Å
363E98.5Very high97.3Very high98 Ų9842.4 Ų42.446%0.45823%0.234SC..Hα-helixtrans-62.6-45.6173.9-70.9169.9173.200111.4Y270 M359 F365 M366 V367Y270-E363 HydrophobicContact CE1-CG 4.18Å; Y270-E363 WeakPolarHBondContact OH-CG 3.43Å; M359-E363 HydrophobicContact CG-CG 4.42Å; M359-E363 WeakPolarHBondContact O-CG 3.3Å; M359-E363 PolarHBondContact O-N 3.5Å; E363-F365 VanDerWaalsContact C-N 3.31Å; E363-F365 PolarHBondContact O-N 2.94Å; E363-M366 PolarHBondContact O-N 2.99Å; E363-M366 VanDerWaalsContact O-N 3.12Å; E363-V367 WeakPolarHBondContact O-CG2 3.37Å; E363-V367 PolarHBondContact O-N 3.46Å
364Q98.4Very high97.1Very high109 Ų10945.6 Ų45.651%0.50925%0.251SS..Hα-helixtrans-62.5-39.7176.4-177.1176.53.800111.7I2 A360 E361 M366 V367 I368I2-Q364 HydrophobicContact CD1-CB 4.02Å; I2-Q364 HydrophobicContact CD1-CG 3.96Å; A360-Q364 VanDerWaalsContact O-CB 3.29Å; A360-Q364 WeakPolarHBondContact O-CB 3.48Å; A360-Q364 PolarHBondContact O-N 3.25Å; E361-Q364 PolarHBondContact O-N 2.88Å; Q364-M366 VanDerWaalsContact C-N 3.33Å; Q364-V367 PolarHBondContact O-N 3.41Å; Q364-I368 HydrophobicContact CG-CD1 4.16Å; Q364-I368 PolarHBondContact O-N 3.18Å; Q364-I368 VanDerWaalsContact O-N 3.08Å
365F98.5Very high96.9Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-57.5-46.6171.8166.2-95.3000111.1F4 L271 L275 F297 L311 I316 V351 E361 A362 E363 V367 I368 F369F4-F365 HydrophobicContact CD2-CD2 4.2Å; F4-F365 HydrophobicContact CD2-CG 4.37Å; F4-F365 HydrophobicContact CE2-CB 3.7Å; F4-F365 HydrophobicContact CE2-CD1 4.42Å; F4-F365 HydrophobicContact CE2-CD2 4.05Å; F4-F365 AromaticContact CE2-CG 3.8Å; F4-F365 HydrophobicContact CE2-CG 3.8Å; F4-F365 HydrophobicContact CZ-CB 4.43Å; L271-F365 HydrophobicContact CD2-CD1 3.52Å; L271-F365 HydrophobicContact CD2-CE1 4Å; L275-F365 HydrophobicContact CD1-CE1 4.36Å; L275-F365 HydrophobicContact CD2-CE1 4.3Å; F297-F365 HydrophobicContact CE1-CZ 4.36Å; F297-F365 AromaticContact CZ-CZ 3.99Å; F297-F365 HydrophobicContact CZ-CZ 3.99Å; L311-F365 HydrophobicContact CD1-CE2 4.12Å; L311-F365 HydrophobicContact CD2-CD2 4.33Å; L311-F365 HydrophobicContact CD2-CE2 3.96Å; I316-F365 HydrophobicContact CD1-CB 4.4Å; I316-F365 HydrophobicContact CD1-CD2 4.01Å; I316-F365 HydrophobicContact CG2-CD2 3.85Å; I316-F365 HydrophobicContact CG2-CE2 4.33Å; V351-F365 HydrophobicContact CG2-CZ 4.39Å; E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.24Å; E361-F365 PolarHBondContact O-N 2.87Å; A362-F365 WeakPolarHBondContact O-CB 3.42Å; A362-F365 PolarHBondContact O-N 3.32Å; E363-F365 VanDerWaalsContact C-N 3.31Å; E363-F365 PolarHBondContact O-N 2.94Å; F365-V367 PolarHBondContact O-N 3.4Å; F365-I368 PolarHBondContact O-N 2.82Å; F365-F369 HydrophobicContact CE1-CB 4.45Å; F365-F369 HydrophobicContact CZ-CD2 4.17Å; F365-F369 VanDerWaalsContact O-CB 3.25Å; F365-F369 WeakPolarHBondContact O-CB 3.4Å; F365-F369 PolarHBondContact O-N 3.13Å
366M98.4Very high96.7Very high13 Ų1350.1 Ų50.16%0.06427%0.27CS..Hα-helixtrans-64.6-37.5179.1-69.6-50.2-52.600113Y270 L271 A274 L275 Y278 A362 E363 Q364 I368 F369 N370Y270-M366 HydrophobicContact CE1-CG 4.01Å; L271-M366 HydrophobicContact CD2-CG 4.1Å; L271-M366 HydrophobicContact CD2-SD 4.03Å; A274-M366 HydrophobicContact CB-CE 3.75Å; A274-M366 HydrophobicContact CB-CG 3.91Å; A274-M366 HydrophobicContact CB-SD 3.93Å; L275-M366 HydrophobicContact CD2-CE 3.92Å; L275-M366 HydrophobicContact CD2-SD 3.96Å; L275-M366 HydrophobicContact CG-CE 4.1Å; L275-M366 HydrophobicContact CG-SD 3.86Å; Y278-M366 HydrophobicContact CE2-CE 3.69Å; A362-M366 WeakPolarHBondContact O-CG 3.42Å; A362-M366 PolarHBondContact O-N 3.42Å; E363-M366 PolarHBondContact O-N 2.99Å; E363-M366 VanDerWaalsContact O-N 3.12Å; Q364-M366 VanDerWaalsContact C-N 3.33Å; M366-I368 VanDerWaalsContact C-N 3.34Å; M366-I368 PolarHBondContact O-N 2.95Å; M366-F369 HydrophobicContact CE-CD1 3.97Å; M366-F369 HydrophobicContact CE-CG 4.49Å; M366-F369 PolarHBondContact O-N 2.83Å; M366-N370 WeakPolarHBondContact O-CB 3.45Å; M366-N370 PolarHBondContact O-N 3.38Å
367V98.2Very high96.2Very high84 Ų8448.3 Ų48.351%0.50925%0.252SS..Hα-helixtrans-61-44.2173.7171.70000111.2E363 Q364 F365 H371E363-V367 WeakPolarHBondContact O-CG2 3.37Å; E363-V367 PolarHBondContact O-N 3.46Å; Q364-V367 PolarHBondContact O-N 3.41Å; F365-V367 PolarHBondContact O-N 3.4Å; V367-H371 PolarHBondContact O-N 3.04Å; V367-H371 PolarHBondContact O-ND1 3.19Å
368I97.8Very high95.3Very high27 Ų2756.7 Ų56.714%0.13829%0.289CS..Hα-helixtrans-70.4-41.6178.4-72.4164.8000110.8L311 K314 I316 Q364 F365 M366 N370 H371 L372L311-I368 HydrophobicContact CD2-CG2 4.28Å; K314-I368 HydrophobicContact CB-CD1 4.23Å; K314-I368 HydrophobicContact CB-CG2 3.87Å; K314-I368 HydrophobicContact CG-CG2 3.77Å; I316-I368 HydrophobicContact CD1-CB 4.04Å; I316-I368 HydrophobicContact CD1-CD1 3.69Å; I316-I368 HydrophobicContact CD1-CG1 4.46Å; I316-I368 HydrophobicContact CD1-CG2 3.95Å; I316-I368 HydrophobicContact CG1-CD1 4.41Å; Q364-I368 HydrophobicContact CG-CD1 4.16Å; Q364-I368 PolarHBondContact O-N 3.18Å; Q364-I368 VanDerWaalsContact O-N 3.08Å; F365-I368 PolarHBondContact O-N 2.82Å; M366-I368 VanDerWaalsContact C-N 3.34Å; M366-I368 PolarHBondContact O-N 2.95Å; I368-N370 VanDerWaalsContact C-N 3.32Å; I368-N370 PolarHBondContact O-N 3.29Å; I368-H371 PolarHBondContact O-N 3.08Å; I368-L372 HydrophobicContact CG2-CD1 4.17Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 3.1Å
369F97.6Very high93.9Very high0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-57.1-45.5176.7-177.2-93.4000111.3L275 Y278 V281 F297 I299 L307 F365 M366 H371 L372 Y373L275-F369 HydrophobicContact CD2-CD1 3.78Å; L275-F369 HydrophobicContact CD2-CD2 4.05Å; L275-F369 HydrophobicContact CD2-CE1 3.55Å; L275-F369 HydrophobicContact CD2-CE2 3.84Å; L275-F369 HydrophobicContact CD2-CG 4.02Å; L275-F369 HydrophobicContact CD2-CZ 3.57Å; Y278-F369 HydrophobicContact CD1-CE1 4.39Å; Y278-F369 HydrophobicContact CD2-CD1 4.49Å; Y278-F369 HydrophobicContact CD2-CE1 4.04Å; Y278-F369 HydrophobicContact CE1-CE1 4.49Å; Y278-F369 HydrophobicContact CE2-CD1 4.14Å; Y278-F369 HydrophobicContact CE2-CE1 4.15Å; Y278-F369 HydrophobicContact CG-CE1 4.18Å; V281-F369 HydrophobicContact CG2-CE1 4.19Å; V281-F369 HydrophobicContact CG2-CZ 3.88Å; F297-F369 HydrophobicContact CE2-CD2 4.4Å; F297-F369 AromaticContact CE2-CE2 3.53Å; F297-F369 HydrophobicContact CE2-CE2 3.53Å; F297-F369 AromaticContact CE2-CZ 3.92Å; F297-F369 HydrophobicContact CE2-CZ 3.92Å; F297-F369 HydrophobicContact CZ-CD2 4.41Å; F297-F369 AromaticContact CZ-CE2 3.95Å; F297-F369 HydrophobicContact CZ-CE2 3.95Å; I299-F369 HydrophobicContact CD1-CE2 3.67Å; I299-F369 HydrophobicContact CD1-CZ 3.61Å; I299-F369 HydrophobicContact CG1-CE2 4.21Å; I299-F369 HydrophobicContact CG1-CZ 3.93Å; L307-F369 HydrophobicContact CD2-CE2 4.31Å; F365-F369 HydrophobicContact CE1-CB 4.45Å; F365-F369 HydrophobicContact CZ-CD2 4.17Å; F365-F369 VanDerWaalsContact O-CB 3.25Å; F365-F369 WeakPolarHBondContact O-CB 3.4Å; F365-F369 PolarHBondContact O-N 3.13Å; M366-F369 HydrophobicContact CE-CD1 3.97Å; M366-F369 HydrophobicContact CE-CG 4.49Å; M366-F369 PolarHBondContact O-N 2.83Å; F369-H371 PolarHBondContact O-N 3.08Å; F369-L372 PolarHBondContact O-N 3.39Å; F369-L372 VanDerWaalsContact O-N 3.14Å; F369-Y373 HydrophobicContact CE1-CD2 4.25Å; F369-Y373 HydrophobicContact CZ-CD2 4.42Å; F369-Y373 WeakPolarHBondContact O-CB 3.37Å; F369-Y373 PolarHBondContact O-N 3.35Å
370N96.9Very high91.8Very high54 Ų5462.5 Ų62.529%0.28932%0.317SS..Hα-helixtrans-56.2-48.7177.3-171.176000112.1Y278 M366 I368 L372 Y373 D374Y278-N370 WeakPolarHBondContact CE1-OD1 3.2Å; Y278-N370 VanDerWaalsContact OH-CB 3.32Å; Y278-N370 WeakPolarHBondContact OH-CB 3.43Å; Y278-N370 PolarHBondContact OH-OD1 3.45Å; M366-N370 WeakPolarHBondContact O-CB 3.45Å; M366-N370 PolarHBondContact O-N 3.38Å; I368-N370 VanDerWaalsContact C-N 3.32Å; I368-N370 PolarHBondContact O-N 3.29Å; N370-L372 VanDerWaalsContact C-N 3.3Å; N370-L372 PolarHBondContact O-N 2.89Å; N370-Y373 PolarHBondContact O-N 2.81Å; N370-D374 PolarHBondContact ND2-OD2 2.92Å; N370-D374 PolarHBondContact O-N 3.31Å
371H96.2Very high91.5Very high121 Ų12162.6 Ų62.656%0.5631%0.308SS*.Hα-helixtrans-61.7-38.4178-66.3125.1000112.7V367 I368 F369 K375V367-H371 PolarHBondContact O-N 3.04Å; V367-H371 PolarHBondContact O-ND1 3.19Å; I368-H371 PolarHBondContact O-N 3.08Å; F369-H371 PolarHBondContact O-N 3.08Å; H371-K375 WeakPolarHBondContact O-CB 3.26Å; H371-K375 PolarHBondContact O-N 2.92Å; H371-K375 VanDerWaalsContact O-N 3.08Å
372L95.8Very high91.1Very high10 Ų1063.5 Ų63.55%0.05231%0.313CS..Hα-helixtrans-69.2-42.6176.2-68.5179.9000111.3L307 A310 L311 I368 F369 N370 D374 K375 F376L307-L372 HydrophobicContact CD1-CD1 4.28Å; A310-L372 HydrophobicContact CB-CD1 4.02Å; A310-L372 HydrophobicContact CB-CD2 3.99Å; L311-L372 HydrophobicContact CD2-CD1 3.69Å; L311-L372 HydrophobicContact CG-CD1 3.97Å; I368-L372 HydrophobicContact CG2-CD1 4.17Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 3.1Å; F369-L372 PolarHBondContact O-N 3.39Å; F369-L372 VanDerWaalsContact O-N 3.14Å; N370-L372 VanDerWaalsContact C-N 3.3Å; N370-L372 PolarHBondContact O-N 2.89Å; L372-D374 VanDerWaalsContact C-N 3.35Å; L372-D374 PolarHBondContact O-N 2.97Å; L372-K375 WeakPolarHBondContact O-CB 3.28Å; L372-K375 PolarHBondContact O-N 3.49Å; L372-F376 HydrophobicContact CB-CD2 4.34Å; L372-F376 HydrophobicContact CB-CE2 4.13Å; L372-F376 WeakPolarHBondContact O-CD2 3.43Å; L372-F376 WeakPolarHBondContact O-CG 3.48Å; L372-F376 PolarHBondContact O-N 3.33Å
373Y95.4Very high90.7Very high24 Ų2467 Ų679%0.09433%0.331CS..Hα-helixtrans-58.1-45.5176.3-176.7-87.5000111.7Y278 K280 V281 I299 F369 N370 F376 S377Y278-Y373 AromaticContact CD1-CD1 3.63Å; Y278-Y373 HydrophobicContact CD1-CD1 3.63Å; Y278-Y373 AromaticContact CD1-CD2 3.85Å; Y278-Y373 HydrophobicContact CD1-CD2 3.85Å; Y278-Y373 AromaticContact CD1-CE1 3.77Å; Y278-Y373 HydrophobicContact CD1-CE1 3.77Å; Y278-Y373 AromaticContact CD1-CE2 3.98Å; Y278-Y373 HydrophobicContact CD1-CE2 3.98Å; Y278-Y373 AromaticContact CD1-CG 3.67Å; Y278-Y373 HydrophobicContact CD1-CG 3.67Å; Y278-Y373 AromaticContact CD1-CZ 3.94Å; Y278-Y373 HydrophobicContact CE1-CD1 4.01Å; Y278-Y373 HydrophobicContact CE1-CG 4.06Å; Y278-Y373 HydrophobicContact CG-CD2 4.37Å; Y278-Y373 HydrophobicContact CG-CE2 4.32Å; K280-Y373 HydrophobicContact CB-CE2 3.93Å; K280-Y373 WeakPolarHBondContact CB-OH 3.47Å; K280-Y373 WeakPolarHBondContact CG-OH 3.38Å; K280-Y373 PolarHBondContact N-OH 3.23Å; K280-Y373 VanDerWaalsContact N-OH 3.12Å; V281-Y373 HydrophobicContact CG2-CD2 4.49Å; V281-Y373 HydrophobicContact CG2-CE2 4.24Å; I299-Y373 HydrophobicContact CD1-CD2 4.26Å; I299-Y373 HydrophobicContact CG2-CD2 4.28Å; I299-Y373 HydrophobicContact CG2-CE2 4.21Å; F369-Y373 HydrophobicContact CE1-CD2 4.25Å; F369-Y373 HydrophobicContact CZ-CD2 4.42Å; F369-Y373 WeakPolarHBondContact O-CB 3.37Å; F369-Y373 PolarHBondContact O-N 3.35Å; N370-Y373 PolarHBondContact O-N 2.81Å; Y373-F376 PolarHBondContact O-N 2.99Å; Y373-S377 VanDerWaalsContact O-CB 3.31Å; Y373-S377 WeakPolarHBondContact O-CB 3.39Å; Y373-S377 PolarHBondContact O-N 3.48Å; Y373-S377 PolarHBondContact O-OG 3.35Å
374D93.5Very high90.3Very high73 Ų7365.2 Ų65.239%0.3932%0.323SS..Hα-helixtrans-65.7-39.6176.7-71.9-20.7000112.1N370 L372 S377 K378N370-D374 PolarHBondContact ND2-OD2 2.92Å; N370-D374 PolarHBondContact O-N 3.31Å; L372-D374 VanDerWaalsContact C-N 3.35Å; L372-D374 PolarHBondContact O-N 2.97Å; D374-S377 PolarHBondContact O-N 2.89Å; D374-K378 WeakPolarHBondContact O-CG 3.14Å; D374-K378 PolarHBondContact O-N 2.98Å
375K92.3Very high89.8Confident115 Ų11562.4 Ų62.450%0.531%0.311SS..Hα-helixtrans-61.9-45.9176-177.8-177.1176.4-173.40111H371 L372 K378H371-K375 WeakPolarHBondContact O-CB 3.26Å; H371-K375 PolarHBondContact O-N 2.92Å; H371-K375 VanDerWaalsContact O-N 3.08Å; L372-K375 WeakPolarHBondContact O-CB 3.28Å; L372-K375 PolarHBondContact O-N 3.49Å; K375-K378 PolarHBondContact O-N 3.28Å
376F90.6Very high89.2Confident20 Ų2066.6 Ų66.69%0.08833%0.332CS..Hα-helixtrans-72.1-33.1-179.9-71.7-51.3000112.9I302 V306 L307 A310 L372 Y373 K378 I379 N380I302-F376 HydrophobicContact CD1-CB 3.67Å; I302-F376 HydrophobicContact CD1-CD1 3.78Å; I302-F376 HydrophobicContact CD1-CG 3.79Å; I302-F376 HydrophobicContact CG1-CB 3.97Å; I302-F376 HydrophobicContact CG1-CD1 4.49Å; I302-F376 HydrophobicContact CG1-CG 4.1Å; I302-F376 HydrophobicContact CG2-CD2 4.41Å; I302-F376 HydrophobicContact CG2-CE2 4.42Å; I302-F376 HydrophobicContact CG2-CG 4.48Å; I302-F376 HydrophobicContact CG2-CZ 4.5Å; V306-F376 HydrophobicContact CG1-CE1 3.84Å; V306-F376 HydrophobicContact CG1-CZ 3.93Å; L307-F376 HydrophobicContact CD1-CE2 3.98Å; A310-F376 HydrophobicContact CB-CE2 4.29Å; A310-F376 HydrophobicContact CB-CZ 3.95Å; L372-F376 HydrophobicContact CB-CD2 4.34Å; L372-F376 HydrophobicContact CB-CE2 4.13Å; L372-F376 WeakPolarHBondContact O-CD2 3.43Å; L372-F376 WeakPolarHBondContact O-CG 3.48Å; L372-F376 PolarHBondContact O-N 3.33Å; Y373-F376 PolarHBondContact O-N 2.99Å; F376-K378 PolarHBondContact O-N 2.61Å; F376-I379 HydrophobicContact CD1-CD1 4.44Å; F376-I379 PolarHBondContact O-N 2.63Å; F376-I379 VanDerWaalsContact O-N 3.09Å; F376-N380 PolarHBondContact O-N 2.75Å
377S82.8Confident88.5Confident35 Ų3570.4 Ų70.425%0.24535%0.351CS..Hα-helixtrans-68-12.9176.4-67.20000114.3Y373 D374 N380Y373-S377 VanDerWaalsContact O-CB 3.31Å; Y373-S377 WeakPolarHBondContact O-CB 3.39Å; Y373-S377 PolarHBondContact O-N 3.48Å; Y373-S377 PolarHBondContact O-OG 3.35Å; D374-S377 PolarHBondContact O-N 2.89Å; S377-N380 VanDerWaalsContact O-OXT 3.12Å
378K78.1Confident87.8Confident183 Ų18369.4 Ų69.480%0.79634%0.339SS*.THydrogen-bonded Turntrans-88.3-14.7172.8-68.4173.3-174.7178.80113.4D374 K375 F376D374-K378 WeakPolarHBondContact O-CG 3.14Å; D374-K378 PolarHBondContact O-N 2.98Å; K375-K378 PolarHBondContact O-N 3.28Å; F376-K378 PolarHBondContact O-N 2.61Å
379I68.9Low86.9Confident119 Ų11972.9 Ų72.961%0.6136%0.356SS*.THydrogen-bonded Turntrans-95.7-25-175.8-60.4171.5000110.8F376F376-I379 HydrophobicContact CD1-CD1 4.44Å; F376-I379 PolarHBondContact O-N 2.63Å; F376-I379 VanDerWaalsContact O-N 3.09Å
380N55.2Low86Confident121 Ų12179.5 Ų79.565%0.64739%0.388SS*.  trans-109.70177.6-69-12000110.7G301 F376 S377G301-N380 PolarHBondContact O-ND2 2.95Å; F376-N380 PolarHBondContact O-N 2.75Å; S377-N380 VanDerWaalsContact O-OXT 3.12Å

Retrieved 380 of 380 residues in 2642.7 ms (Link to these results)

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