A0A087Y856_POEFO Loading...

Acid sphingomyelinase-like phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087Y856, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M36.8Very low40Very low248 Ų248149.3 Ų149.3100%1.22281%0.814SS**  0107.20-68.3168.770.900107
2S33Very low40.1Very low111 Ų111153.1 Ų153.178%0.77682%0.818SS**  trans-111.4132.4-173.3-178.50000108.9
3P45Very low40.3Very low121 Ų121155.2 Ų155.279%0.78682%0.815SS**  trans-86.8117.6175.632.3-25.8000109.6R5P3-R5 PolarHBondContact O-N 3.5Å
4V42.3Very low40.2Very low131 Ų131148.7 Ų148.779%0.79481%0.805SS**  trans-69.1121.3172.31740000108.8L6V4-L6 PolarHBondContact O-N 3.47Å
5R39.3Very low40.4Very low237 Ų237150.7 Ų150.789%0.89481%0.807SS**  trans-76.2114.4166.5-86.1-178.9171.2-179.7-2.9108.7P3P3-R5 PolarHBondContact O-N 3.5Å
6L39.2Very low40.8Very low148 Ų148146.9 Ų146.978%0.77580%0.803SS**  trans-81.1111169.6-14784.5000108.3V4 L8V4-L6 PolarHBondContact O-N 3.47Å; L6-L8 HydrophobicContact CD2-CD1 4.2Å; L6-L8 PolarHBondContact O-N 3.47Å
7L41.6Very low41.2Very low170 Ų170147.4 Ų147.489%0.8980%0.804SS**  trans-82.6106167.5-91.5148.9000107.8S9L7-S9 PolarHBondContact O-N 3.36Å
8L40.4Very low42Very low140 Ų140142.8 Ų142.873%0.73379%0.789SS**  trans-73.3110162.3-96.693.8000108.1L6 C10L6-L8 HydrophobicContact CD2-CD1 4.2Å; L6-L8 PolarHBondContact O-N 3.47Å; L8-C10 PolarHBondContact O-N 3.39Å
9S40.8Very low43.7Very low104 Ų104141.3 Ų141.373%0.72778%0.779SS**  trans-78.6105.1157.859.10000108.1L7 L11L7-S9 PolarHBondContact O-N 3.36Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 3.02Å
10C39.6Very low46Very low95 Ų95137.5 Ų137.564%0.64276%0.763SS**  trans-69.396.8162-72.70000107.5L8 F12L8-C10 PolarHBondContact O-N 3.39Å; C10-F12 VanDerWaalsContact C-N 3.32Å; C10-F12 HydrophobicContact CB-CE2 4.39Å; C10-F12 PolarHBondContact O-N 2.96Å
11L41.7Very low48.4Very low137 Ų137131.1 Ų131.172%0.71773%0.728SS**  trans-64.798160.8-77.1163.7000107S9 F13S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 3.02Å; L11-F13 HydrophobicContact CB-CD2 4.23Å; L11-F13 HydrophobicContact CB-CE2 4.38Å; L11-F13 PolarHBondContact O-N 3.03Å
12F41.3Very low51.3Low195 Ų195125 Ų12586%0.85569%0.691SS**  trans-65.387.6160.9-77.3-87.4000107.4C10 G14C10-F12 VanDerWaalsContact C-N 3.32Å; C10-F12 HydrophobicContact CB-CE2 4.39Å; C10-F12 PolarHBondContact O-N 2.96Å; F12-G14 PolarHBondContact O-N 2.99Å
13F42.9Very low54.5Low180 Ų180119.7 Ų119.779%0.78965%0.654SS**  trans-6887.2152.1-85.6-88000105.9L11 E15L11-F13 HydrophobicContact CB-CD2 4.23Å; L11-F13 HydrophobicContact CB-CE2 4.38Å; L11-F13 PolarHBondContact O-N 3.03Å; F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 3.3Å; F13-E15 VanDerWaalsContact O-N 3.07Å
14G39.5Very low57Low65 Ų65113.9 Ų113.967%0.6762%0.617SS**  trans-62.6105.3155.500000105.7F12 A16F12-G14 PolarHBondContact O-N 2.99Å; G14-A16 PolarHBondContact O-N 2.91Å
15E42.1Very low59.7Low178 Ų178107.7 Ų107.783%0.83258%0.579SS**  trans-55.897152.1-76.1179.3163.800104.7F13 L17F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 3.3Å; F13-E15 VanDerWaalsContact O-N 3.07Å; E15-L17 VanDerWaalsContact C-N 3.26Å; E15-L17 PolarHBondContact O-N 3.3Å
16A47.3Very low62.6Low90 Ų9096.6 Ų96.674%0.74454%0.537SS*.  trans-55.8106160.600000103.9G14 A18G14-A16 PolarHBondContact O-N 2.91Å; A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 2.87Å
17L47.1Very low65.4Low156 Ų15689.6 Ų89.682%0.81750%0.5SS*.  trans-51.2104.6167.2-100.895.3000104.9E15 L19E15-L17 VanDerWaalsContact C-N 3.26Å; E15-L17 PolarHBondContact O-N 3.3Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.07Å
18A56.3Low68.2Low65 Ų6581.5 Ų81.554%0.53746%0.458SS..  trans-67.299.2179.800000105.9A16 S20A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 2.87Å; A18-S20 PolarHBondContact O-N 2.83Å; A18-S20 VanDerWaalsContact O-N 3.07Å
19L73.4Confident70.9Confident114 Ų11474.9 Ų74.960%0.59742%0.423SS*.  trans-55.1118178.1-72.9165.3000107.3L17 T328L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.07Å; L19-T328 VanDerWaalsContact CB-OG1 3.24Å; L19-T328 WeakPolarHBondContact CB-OG1 3.28Å; L19-T328 PolarHBondContact O-N 2.84Å; L19-T328 PolarHBondContact O-OG1 2.78Å
20S89.9Confident73.7Confident65 Ų6569.9 Ų69.946%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-105.4120.3-178.4-161.90000107.9A18 Y326A18-S20 PolarHBondContact O-N 2.83Å; A18-S20 VanDerWaalsContact O-N 3.07Å; S20-Y326 CarbonylContact C-O 3.54Å; S20-Y326 WeakPolarHBondContact CA-O 3.26Å
21G96.9Very high76.5Confident3 Ų367.1 Ų67.13%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-95.3162.9173.300000110.6D86 E325 Y326 T328G21-D86 WeakPolarHBondContact CA-OD2 3.19Å; G21-E325 WeakPolarHBondContact O-CA 3.39Å; G21-Y326 VanDerWaalsContact CA-CE1 3.45Å; G21-Y326 PolarHBondContact N-O 2.87Å; G21-Y326 VanDerWaalsContact O-CD1 3.29Å; G21-Y326 WeakPolarHBondContact O-CD1 3.43Å; G21-Y326 PolarHBondContact O-N 3.37Å; G21-T328 VanDerWaalsContact N-CG2 3.33Å
22R98.5Very high79.3Confident119 Ų11960.7 Ų60.745%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-140.8135.2178.9-65.2-179.3-70.8-179.91.5111.5L82 D86 V323 F324 E325R22-L82 HydrophobicContact CB-CD1 4.37Å; R22-L82 HydrophobicContact CB-CD2 3.66Å; R22-L82 VanDerWaalsContact CZ-CD1 3.45Å; R22-D86 PolarHBondContact N-OD2 3.07Å; R22-D86 WeakPolarHBondContact O-CB 3.42Å; R22-D86 PolarHBondContact O-N 2.84Å; R22-V323 HydrophobicContact CB-CG1 4.25Å; R22-F324 VanDerWaalsContact CA-O 3.26Å; R22-F324 WeakPolarHBondContact CA-O 3.43Å; R22-E325 HydrophobicContact CG-CG 4.08Å
23F98.9Very high82Confident0 Ų054.6 Ų54.60%031%0.311CS..EExtended strand (participates in β ladder)trans-135.3152.617565.2-90.3000111.4F87 V89 Y231 F273 V323 F324 Y326F23-F87 WeakPolarHBondContact CA-O 3.32Å; F23-F87 HydrophobicContact CB-CD1 3.97Å; F23-F87 HydrophobicContact CB-CD2 3.61Å; F23-F87 HydrophobicContact CB-CE1 3.8Å; F23-F87 HydrophobicContact CB-CE2 3.43Å; F23-F87 VanDerWaalsContact CB-CE2 3.43Å; F23-F87 HydrophobicContact CB-CG 3.88Å; F23-F87 HydrophobicContact CB-CZ 3.53Å; F23-F87 VanDerWaalsContact CB-O 3.23Å; F23-F87 WeakPolarHBondContact CB-O 3.23Å; F23-F87 AromaticContact CD1-CE1 3.88Å; F23-F87 HydrophobicContact CD1-CE1 3.88Å; F23-F87 AromaticContact CD1-CE2 3.75Å; F23-F87 HydrophobicContact CD1-CE2 3.75Å; F23-F87 AromaticContact CD1-CZ 3.24Å; F23-F87 HydrophobicContact CD1-CZ 3.24Å; F23-F87 HydrophobicContact CD2-CD2 4.23Å; F23-F87 AromaticContact CD2-CE2 3.49Å; F23-F87 HydrophobicContact CD2-CE2 3.49Å; F23-F87 VanDerWaalsContact CD2-CE2 3.49Å; F23-F87 AromaticContact CD2-CZ 3.92Å; F23-F87 HydrophobicContact CD2-CZ 3.92Å; F23-F87 HydrophobicContact CE1-CE2 4.31Å; F23-F87 AromaticContact CE1-CZ 3.79Å; F23-F87 HydrophobicContact CE1-CZ 3.79Å; F23-F87 HydrophobicContact CE2-CE2 4.09Å; F23-F87 HydrophobicContact CE2-CZ 4.39Å; F23-F87 AromaticContact CG-CD2 3.99Å; F23-F87 HydrophobicContact CG-CD2 3.99Å; F23-F87 HydrophobicContact CG-CE1 4.01Å; F23-F87 AromaticContact CG-CE2 3.29Å; F23-F87 HydrophobicContact CG-CE2 3.29Å; F23-F87 AromaticContact CG-CZ 3.3Å; F23-F87 HydrophobicContact CG-CZ 3.3Å; F23-F87 HydrophobicContact CZ-CE2 4.45Å; F23-F87 HydrophobicContact CZ-CZ 4.33Å; F23-V89 HydrophobicContact CD2-CG2 4.1Å; F23-V89 HydrophobicContact CE2-CG2 4.19Å; F23-Y231 HydrophobicContact CE1-CE2 4.07Å; F23-Y231 HydrophobicContact CZ-CE2 4.32Å; F23-F273 HydrophobicContact CE2-CD1 4.44Å; F23-F273 HydrophobicContact CE2-CE1 4.19Å; F23-F273 HydrophobicContact CE2-CZ 4.33Å; F23-F273 HydrophobicContact CZ-CD1 4.43Å; F23-F273 AromaticContact CZ-CE1 3.74Å; F23-F273 HydrophobicContact CZ-CE1 3.74Å; F23-F273 HydrophobicContact CZ-CE2 4.27Å; F23-F273 AromaticContact CZ-CZ 3.65Å; F23-F273 HydrophobicContact CZ-CZ 3.65Å; F23-V323 WeakPolarHBondContact O-CA 3.34Å; F23-F324 HydrophobicContact CD1-CB 3.83Å; F23-F324 HydrophobicContact CD2-CB 4.01Å; F23-F324 HydrophobicContact CD2-CD2 4.17Å; F23-F324 HydrophobicContact CD2-CG 4.42Å; F23-F324 HydrophobicContact CE1-CB 3.35Å; F23-F324 HydrophobicContact CE1-CG 4.17Å; F23-F324 HydrophobicContact CE2-CB 3.55Å; F23-F324 AromaticContact CE2-CD2 3.49Å; F23-F324 HydrophobicContact CE2-CD2 3.49Å; F23-F324 VanDerWaalsContact CE2-CD2 3.49Å; F23-F324 HydrophobicContact CE2-CE2 4.37Å; F23-F324 AromaticContact CE2-CG 3.64Å; F23-F324 HydrophobicContact CE2-CG 3.64Å; F23-F324 HydrophobicContact CG-CB 4.14Å; F23-F324 HydrophobicContact CZ-CB 3.2Å; F23-F324 HydrophobicContact CZ-CD1 4.19Å; F23-F324 AromaticContact CZ-CD2 3.88Å; F23-F324 HydrophobicContact CZ-CD2 3.88Å; F23-F324 AromaticContact CZ-CG 3.5Å; F23-F324 HydrophobicContact CZ-CG 3.5Å; F23-F324 VanDerWaalsContact CZ-CG 3.5Å; F23-F324 PolarHBondContact N-O 3.27Å; F23-F324 PolarHBondContact O-N 2.86Å; F23-Y326 AromaticContact CD1-CD1 3.6Å; F23-Y326 HydrophobicContact CD1-CD1 3.6Å; F23-Y326 AromaticContact CD1-CE1 3.89Å; F23-Y326 HydrophobicContact CD1-CE1 3.89Å; F23-Y326 HydrophobicContact CD1-CG 4.41Å; F23-Y326 AromaticContact CE1-CD1 3.9Å; F23-Y326 HydrophobicContact CE1-CD1 3.9Å; F23-Y326 HydrophobicContact CE1-CG 4.28Å
24W98.9Very high84.6Confident0 Ų049.6 Ų49.60%030%0.296CS..EExtended strand (participates in β ladder)trans-85.6146.6170.8-73.3107.4000110.7M78 I81 L82 F87 I88 V89 I321 R322 V323 Y339W24-M78 HydrophobicContact CB-CE 3.82Å; W24-M78 HydrophobicContact CD2-CB 4.08Å; W24-M78 HydrophobicContact CD2-CE 4.1Å; W24-M78 HydrophobicContact CD2-CG 3.93Å; W24-M78 HydrophobicContact CE3-CG 3.99Å; W24-M78 HydrophobicContact CG-CE 3.68Å; W24-M78 HydrophobicContact CG-CG 4.49Å; W24-M78 HydrophobicContact CH2-CB 4.37Å; W24-M78 HydrophobicContact CH2-CG 4.31Å; W24-M78 VanDerWaalsContact CZ2-CA 3.46Å; W24-M78 HydrophobicContact CZ2-CB 3.86Å; W24-M78 HydrophobicContact CZ2-CG 4.23Å; W24-M78 VanDerWaalsContact CZ2-O 3.31Å; W24-M78 WeakPolarHBondContact CZ2-O 3.42Å; W24-M78 HydrophobicContact CZ3-CG 4.18Å; W24-I81 HydrophobicContact CH2-CB 3.98Å; W24-I81 HydrophobicContact CH2-CD1 4.26Å; W24-I81 HydrophobicContact CH2-CG2 3.78Å; W24-I81 HydrophobicContact CZ2-CB 3.92Å; W24-I81 HydrophobicContact CZ2-CG2 3.93Å; W24-L82 HydrophobicContact CZ2-CB 3.62Å; W24-L82 PolarHBondContact NE1-O 2.95Å; W24-F87 PolarHBondContact N-O 3.31Å; W24-I88 HydrophobicContact CB-CG1 4.18Å; W24-I88 HydrophobicContact CB-CG2 4.25Å; W24-V89 PolarHBondContact O-N 2.81Å; W24-I321 HydrophobicContact CE3-CB 4.47Å; W24-I321 HydrophobicContact CH2-CD1 4.08Å; W24-I321 HydrophobicContact CH2-CG1 4.46Å; W24-I321 HydrophobicContact CZ3-CB 4.12Å; W24-I321 HydrophobicContact CZ3-CD1 3.9Å; W24-I321 HydrophobicContact CZ3-CG1 3.86Å; W24-R322 CarbonylContact C-O 3.11Å; W24-R322 WeakPolarHBondContact CA-O 3.24Å; W24-V323 HydrophobicContact CD2-CG2 3.87Å; W24-V323 HydrophobicContact CE3-CG2 3.52Å; W24-V323 HydrophobicContact CH2-CG2 3.22Å; W24-V323 HydrophobicContact CZ2-CG2 3.6Å; W24-V323 HydrophobicContact CZ3-CB 4.42Å; W24-V323 HydrophobicContact CZ3-CG2 3.19Å; W24-Y339 HydrophobicContact CH2-CD2 4.23Å; W24-Y339 HydrophobicContact CH2-CE2 4.4Å; W24-Y339 HydrophobicContact CZ3-CD2 4.29Å
25H98.9Very high87.4Confident1 Ų148 Ų481%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-122.9118.2159.3-177.2-171000108.4V89 T91 F274 S299 R322 F324H25-V89 WeakPolarHBondContact CA-O 3.35Å; H25-V89 HydrophobicContact CB-CB 4.32Å; H25-T91 PolarHBondContact NE2-OG1 3.3Å; H25-F274 PolarHBondContact CE1-O 3.11Å; H25-F274 VanDerWaalsContact CE1-O 3.26Å; H25-S299 PolarHBondContact CE1-OG 3.41Å; H25-S299 WeakPolarHBondContact ND1-CB 3.14Å; H25-S299 PolarHBondContact ND1-OG 2.97Å; H25-R322 PolarHBondContact N-O 3.38Å; H25-R322 PolarHBondContact O-N 3.13Å; H25-F324 HydrophobicContact CB-CD2 3.92Å; H25-F324 HydrophobicContact CB-CE2 3.59Å; H25-F324 AromaticContact ND1-CE2 3.84Å
26I98.9Very high90.1Very high4 Ų446.8 Ų46.82%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-122.5150.2172.557.3168.5000110L29 M78 I88 V89 W90 T91 I119 I321I26-L29 HydrophobicContact CD1-CD1 4.48Å; I26-M78 HydrophobicContact CD1-CE 4.07Å; I26-M78 HydrophobicContact CD1-SD 4.2Å; I26-M78 HydrophobicContact CG1-CE 4.5Å; I26-M78 HydrophobicContact CG2-CE 3.8Å; I26-M78 HydrophobicContact CG2-SD 3.56Å; I26-M78 VanDerWaalsContact CG2-SD 3.56Å; I26-I88 HydrophobicContact CD1-CG2 4.47Å; I26-I88 HydrophobicContact CG1-CG2 4.24Å; I26-V89 PolarHBondContact N-O 2.87Å; I26-W90 HydrophobicContact CD1-CG 4.49Å; I26-W90 HydrophobicContact CG1-CB 4.23Å; I26-W90 HydrophobicContact CG1-CG 4.37Å; I26-W90 VanDerWaalsContact O-CA 3.32Å; I26-W90 WeakPolarHBondContact O-CA 3.45Å; I26-T91 PolarHBondContact O-N 3.24Å; I26-T91 VanDerWaalsContact O-N 3.11Å; I26-I119 HydrophobicContact CD1-CD1 4.01Å; I26-I321 HydrophobicContact CG2-CB 4.32Å; I26-I321 HydrophobicContact CG2-CG2 3.99Å
27T98.9Very high92.5Very high0 Ų046.8 Ų46.80%025%0.249CC..  trans-161.3161.2-174.6-162.60000110.5L29 T91 G275 S299 P300 G301 V302T27-L29 PolarHBondContact O-N 3.05Å; T27-T91 WeakPolarHBondContact CB-OG1 3.16Å; T27-T91 PolarHBondContact OG1-OG1 2.93Å; T27-G275 WeakPolarHBondContact OG1-CA 3.44Å; T27-S299 WeakPolarHBondContact CG2-O 3.27Å; T27-P300 WeakPolarHBondContact CG2-O 3.41Å; T27-G301 WeakPolarHBondContact O-CA 3.24Å; T27-V302 PolarHBondContact O-N 2.67Å
28D98.9Very high94.8Very high0 Ų042.5 Ų42.50%023%0.229CC..  trans52.956.6168.5-55.2-105.3000110.7H30 G92 D93 H235 G275 H276 H278 V302 T303D28-H30 IonicContact OD1-NE2 2.72Å; D28-G92 PolarHBondContact N-O 2.86Å; D28-D93 CarbonylContact C-O 3.37Å; D28-D93 WeakPolarHBondContact CA-O 3.31Å; D28-D93 HydrophobicContact CB-CB 4.5Å; D28-H235 IonicContact OD1-CE1 3.72Å; D28-H235 PolarHBondContact OD1-CE1 3.37Å; D28-H235 VanDerWaalsContact OD1-CE1 3.27Å; D28-H235 IonicContact OD2-CE1 3.66Å; D28-G275 WeakPolarHBondContact OD2-CA 3.42Å; D28-H276 WeakPolarHBondContact OD1-CA 3.4Å; D28-H276 PolarHBondContact OD1-N 3.22Å; D28-H276 VanDerWaalsContact OD1-N 3.12Å; D28-H276 PolarHBondContact OD2-N 3.08Å; D28-H278 IonicContact OD1-CD2 3.9Å; D28-H278 PolarHBondContact OD1-CD2 3.39Å; D28-H278 IonicContact OD1-NE2 3.61Å; D28-H278 PolarHBondContact OD1-NE2 2.82Å; D28-V302 PolarHBondContact O-N 2.98Å; D28-T303 PolarHBondContact O-N 3.1Å
29L98.9Very high96.7Very high1 Ų147.6 Ų47.61%0.00525%0.247CC..  trans-70.8-39.7-179-87.470.6000110.5I26 T27 W31 A66 I71 D93 L115 V302I26-L29 HydrophobicContact CD1-CD1 4.48Å; T27-L29 PolarHBondContact O-N 3.05Å; L29-W31 PolarHBondContact O-N 3.34Å; L29-A66 VanDerWaalsContact O-CB 3.29Å; L29-A66 WeakPolarHBondContact O-CB 3.45Å; L29-I71 HydrophobicContact CB-CD1 3.85Å; L29-I71 HydrophobicContact CD2-CD1 4.28Å; L29-I71 HydrophobicContact CD2-CG2 4.42Å; L29-I71 HydrophobicContact CG-CD1 4.13Å; L29-I71 WeakPolarHBondContact O-CD1 3.46Å; L29-D93 PolarHBondContact N-O 3.31Å; L29-L115 HydrophobicContact CB-CD1 3.99Å; L29-L115 HydrophobicContact CD2-CD1 3.96Å; L29-L115 HydrophobicContact CD2-CD2 3.99Å; L29-L115 HydrophobicContact CD2-CG 4.43Å; L29-V302 HydrophobicContact CD1-CG2 4.33Å; L29-V302 HydrophobicContact CG-CB 4.42Å; L29-V302 HydrophobicContact CG-CG2 4.35Å
30H98.9Very high97.8Very high0 Ų045.6 Ų45.60%024%0.237CC..  trans35.271.8-178.1-63-82.5000112.7D28 D32 D65 A66 D93 D94 T95 H97 H135 H278 T303D28-H30 IonicContact OD1-NE2 2.72Å; H30-D32 PolarHBondContact O-N 2.82Å; H30-D65 HydrophobicContact CB-CB 4.19Å; H30-D65 VanDerWaalsContact CB-OD1 3.22Å; H30-D65 WeakPolarHBondContact CB-OD1 3.31Å; H30-D65 IonicContact CG-OD1 3.14Å; H30-D65 WeakPolarHBondContact O-CB 3.36Å; H30-A66 PolarHBondContact O-N 2.91Å; H30-D93 IonicContact CE1-OD2 2.71Å; H30-D93 PolarHBondContact CE1-OD2 2.88Å; H30-D93 PolarHBondContact N-O 3.45Å; H30-D93 WeakPolarHBondContact NE2-CB 3.47Å; H30-D93 IonicContact NE2-OD2 3.58Å; H30-D93 PolarHBondContact NE2-OD2 3.43Å; H30-D94 CarbonylContact C-O 3.57Å; H30-D94 WeakPolarHBondContact CA-O 3.45Å; H30-T95 PolarHBondContact ND1-O 3.11Å; H30-H97 AromaticContact CD2-CE1 3.77Å; H30-H97 AromaticContact CE1-CE1 3.24Å; H30-H97 PolarHBondContact CE1-CE1 3.44Å; H30-H97 AromaticContact CE1-NE2 3.74Å; H30-H97 AromaticContact CG-CE1 3.73Å; H30-H97 AromaticContact ND1-CE1 3.41Å; H30-H97 PolarHBondContact ND1-CE1 3.02Å; H30-H97 AromaticContact ND1-ND1 3.77Å; H30-H97 AromaticContact NE2-CE1 3.44Å; H30-H97 PolarHBondContact NE2-CE1 3.5Å; H30-H135 AromaticContact CE1-CD2 3.94Å; H30-H135 AromaticContact CE1-CG 3.86Å; H30-H278 AromaticContact CD2-CE1 3.95Å; H30-H278 AromaticContact CD2-NE2 3.8Å; H30-H278 AromaticContact NE2-CE1 3.74Å; H30-H278 AromaticContact NE2-NE2 3.27Å; H30-H278 PolarHBondContact NE2-NE2 2.87Å; H30-T303 HydrophobicContact CB-CG2 4.13Å; H30-T303 VanDerWaalsContact CD2-CG2 3.49Å; H30-T303 WeakPolarHBondContact CD2-CG2 3.45Å
31W98.9Very high98.1Very high37 Ų3744.6 Ų44.614%0.1423%0.229CC..BIsolated β-bridgetrans-71.1121.5175.1175.330.4000109.9L29 P33 A66 W68 I71 D94 P96 I111 N114 L115L29-W31 PolarHBondContact O-N 3.34Å; W31-P33 HydrophobicContact CD2-CG 4.19Å; W31-P33 HydrophobicContact CE3-CG 4.44Å; W31-P33 HydrophobicContact CH2-CB 4.48Å; W31-P33 HydrophobicContact CH2-CG 4.46Å; W31-P33 HydrophobicContact CZ2-CB 4Å; W31-P33 HydrophobicContact CZ2-CG 4.21Å; W31-P33 VanDerWaalsContact O-CD 3.29Å; W31-P33 WeakPolarHBondContact O-CD 3.17Å; W31-A66 WeakPolarHBondContact CA-O 3.37Å; W31-W68 AromaticContact CD2-CE3 3.7Å; W31-W68 HydrophobicContact CD2-CE3 3.7Å; W31-W68 HydrophobicContact CD2-CZ3 4.12Å; W31-W68 AromaticContact CE2-CE3 3.61Å; W31-W68 HydrophobicContact CE3-CE3 4Å; W31-W68 AromaticContact CE3-CZ3 3.97Å; W31-W68 HydrophobicContact CE3-CZ3 3.97Å; W31-W68 HydrophobicContact CG-CE3 4.2Å; W31-W68 HydrophobicContact CH2-CE3 4.15Å; W31-W68 HydrophobicContact CH2-CZ3 4.39Å; W31-W68 HydrophobicContact CZ2-CB 4.45Å; W31-W68 HydrophobicContact CZ2-CD2 4.42Å; W31-W68 AromaticContact CZ2-CE3 3.85Å; W31-W68 HydrophobicContact CZ2-CE3 3.85Å; W31-W68 HydrophobicContact CZ3-CE3 4.23Å; W31-W68 HydrophobicContact CZ3-CZ3 4.12Å; W31-I71 HydrophobicContact CB-CD1 4.48Å; W31-I71 HydrophobicContact CB-CG1 4.14Å; W31-I71 HydrophobicContact CG-CG1 4.38Å; W31-D94 PolarHBondContact N-O 3.05Å; W31-P96 VanDerWaalsContact O-CD 3.26Å; W31-P96 WeakPolarHBondContact O-CD 3.25Å; W31-I111 HydrophobicContact CB-CG2 4.46Å; W31-I111 HydrophobicContact CE3-CB 4.32Å; W31-I111 HydrophobicContact CE3-CG1 4.03Å; W31-I111 HydrophobicContact CE3-CG2 4.05Å; W31-I111 HydrophobicContact CZ3-CG1 4.23Å; W31-N114 HydrophobicContact CE3-CB 4.31Å; W31-N114 HydrophobicContact CH2-CB 4.41Å; W31-N114 HydrophobicContact CZ3-CB 3.65Å; W31-L115 HydrophobicContact CB-CD2 4.43Å
32D98.8Very high98.1Very high1 Ų149.6 Ų49.61%0.00525%0.25CC..  trans-93.7105.7167.1-170.4-17.4000110.5H30 T34 Y35 C45 A46 S47 D65 A66 P96H30-D32 PolarHBondContact O-N 2.82Å; D32-T34 VanDerWaalsContact CG-OG1 3.26Å; D32-T34 PolarHBondContact O-N 2.73Å; D32-T34 WeakPolarHBondContact OD1-CA 3.29Å; D32-T34 VanDerWaalsContact OD1-CB 3.26Å; D32-T34 WeakPolarHBondContact OD1-CB 3.5Å; D32-T34 PolarHBondContact OD1-N 2.54Å; D32-T34 PolarHBondContact OD1-OG1 2.81Å; D32-T34 PolarHBondContact OD2-OG1 3.07Å; D32-Y35 PolarHBondContact O-N 2.84Å; D32-C45 WeakPolarHBondContact OD2-CB 3.01Å; D32-A46 PolarHBondContact OD2-N 3.15Å; D32-S47 WeakPolarHBondContact OD2-CB 3.13Å; D32-S47 PolarHBondContact OD2-N 2.86Å; D32-S47 VanDerWaalsContact OD2-N 3.13Å; D32-S47 PolarHBondContact OD2-OG 3.47Å; D32-D65 HydrophobicContact CB-CB 3.9Å; D32-A66 PolarHBondContact N-O 3.07Å; D32-P96 HydrophobicContact CB-CB 3.98Å
33P98.4Very high98Very high68 Ų6849.1 Ų49.144%0.44226%0.256SS..THydrogen-bonded Turntrans-70.6-12.3178.4-16.833000113.4W31 I111W31-P33 HydrophobicContact CD2-CG 4.19Å; W31-P33 HydrophobicContact CE3-CG 4.44Å; W31-P33 HydrophobicContact CH2-CB 4.48Å; W31-P33 HydrophobicContact CH2-CG 4.46Å; W31-P33 HydrophobicContact CZ2-CB 4Å; W31-P33 HydrophobicContact CZ2-CG 4.21Å; W31-P33 VanDerWaalsContact O-CD 3.29Å; W31-P33 WeakPolarHBondContact O-CD 3.17Å; P33-I111 HydrophobicContact CG-CD1 3.93Å; P33-I111 HydrophobicContact CG-CG1 4.08Å
34T98.3Very high98Very high75 Ų7549.3 Ų49.346%0.4626%0.257SS..THydrogen-bonded Turntrans-87.1-11.118074.90000112.9D32 K36 A46D32-T34 VanDerWaalsContact CG-OG1 3.26Å; D32-T34 PolarHBondContact O-N 2.73Å; D32-T34 WeakPolarHBondContact OD1-CA 3.29Å; D32-T34 VanDerWaalsContact OD1-CB 3.26Å; D32-T34 WeakPolarHBondContact OD1-CB 3.5Å; D32-T34 PolarHBondContact OD1-N 2.54Å; D32-T34 PolarHBondContact OD1-OG1 2.81Å; D32-T34 PolarHBondContact OD2-OG1 3.07Å; T34-K36 PolarHBondContact O-N 2.92Å; T34-K36 VanDerWaalsContact O-N 3.15Å; T34-A46 HydrophobicContact CG2-CB 4.04Å; T34-A46 WeakPolarHBondContact OG1-CB 3.41Å; T34-A46 PolarHBondContact OG1-N 3.3Å
35Y98.7Very high98Very high32 Ų3249.6 Ų49.613%0.12526%0.259CS..  trans-56.7119.5-176.4-170.2-77.6000111.8D32 L37 V44 C45 A56 G57 G60 C64 P67D32-Y35 PolarHBondContact O-N 2.84Å; Y35-L37 HydrophobicContact CE1-CD2 4.01Å; Y35-L37 HydrophobicContact CE1-CG 4.47Å; Y35-V44 CarbonylContact C-O 3.51Å; Y35-V44 VanDerWaalsContact CA-O 3.29Å; Y35-V44 WeakPolarHBondContact CA-O 3.41Å; Y35-V44 HydrophobicContact CD2-CG1 4.21Å; Y35-V44 HydrophobicContact CE1-CG1 4.41Å; Y35-V44 HydrophobicContact CE2-CG1 3.71Å; Y35-C45 HydrophobicContact CD2-CB 3.96Å; Y35-A56 WeakPolarHBondContact OH-CB 3.37Å; Y35-G57 PolarHBondContact OH-N 2.85Å; Y35-G57 PolarHBondContact OH-O 3.29Å; Y35-G60 VanDerWaalsContact OH-C 3.26Å; Y35-G60 WeakPolarHBondContact OH-CA 2.92Å; Y35-G60 PolarHBondContact OH-O 3.33Å; Y35-C64 HydrophobicContact CD2-CB 3.98Å; Y35-C64 HydrophobicContact CE2-CB 3.89Å; Y35-P67 HydrophobicContact CD1-CB 3.59Å; Y35-P67 HydrophobicContact CD1-CG 4.2Å; Y35-P67 HydrophobicContact CD2-CB 4.22Å; Y35-P67 HydrophobicContact CD2-CG 4.43Å; Y35-P67 HydrophobicContact CE1-CB 4.18Å; Y35-P67 HydrophobicContact CE1-CG 4.31Å; Y35-P67 HydrophobicContact CG-CB 3.64Å; Y35-P67 HydrophobicContact CG-CG 4.28Å
36K97.9Very high97.9Very high151 Ų15151.7 Ų51.766%0.65728%0.276SS*.  trans-152.8130.6178.2-179.6177.8173.4-177.40111T34 T38 V44T34-K36 PolarHBondContact O-N 2.92Å; T34-K36 VanDerWaalsContact O-N 3.15Å; K36-T38 PolarHBondContact O-N 3.18Å; K36-V44 PolarHBondContact N-O 3.26Å; K36-V44 WeakPolarHBondContact O-CA 3.42Å
37L97.8Very high97.9Very high91 Ų9151.7 Ų51.748%0.47628%0.276SS..  trans-65.2133.2173.1-59.3179.4000110.9Y35 A56Y35-L37 HydrophobicContact CE1-CD2 4.01Å; Y35-L37 HydrophobicContact CE1-CG 4.47Å; L37-A56 HydrophobicContact CD2-CB 3.89Å
38T96Very high97.8Very high65 Ų6551.7 Ų51.740%0.39928%0.276SS..  trans-155.1156.9-175.4175.20000109.8K36 N40 L43 V44K36-T38 PolarHBondContact O-N 3.18Å; T38-N40 VanDerWaalsContact CG2-O 3.3Å; T38-N40 WeakPolarHBondContact CG2-O 3.47Å; T38-N40 PolarHBondContact O-N 2.73Å; T38-L43 HydrophobicContact CG2-CB 4.05Å; T38-V44 HydrophobicContact CG2-CG2 3.9Å
39D94.9Very high97.6Very high172 Ų17254.2 Ų54.292%0.9230%0.303SS*.SBendtrans-67.7-19.2179.6-61.7-30.2000112.9P41D39-P41 WeakPolarHBondContact O-CD 3.47Å
40N96.6Very high97.3Very high72 Ų7259.8 Ų59.839%0.38533%0.333SS..SBendtrans-98105.7175.1-175.6-10.2000110.6T38 K42 L43T38-N40 VanDerWaalsContact CG2-O 3.3Å; T38-N40 WeakPolarHBondContact CG2-O 3.47Å; T38-N40 PolarHBondContact O-N 2.73Å; N40-K42 PolarHBondContact O-N 3.31Å; N40-K42 PolarHBondContact OD1-N 2.94Å; N40-K42 VanDerWaalsContact OD1-N 3.12Å; N40-L43 HydrophobicContact CB-CB 4.4Å; N40-L43 HydrophobicContact CB-CD1 4.1Å; N40-L43 HydrophobicContact CB-CG 4.22Å; N40-L43 PolarHBondContact O-N 3.06Å
41P96.6Very high97.1Very high45 Ų4563.3 Ų63.329%0.29235%0.346SS..G310 helixtrans-62.3-15.5-175.125.1-34.9000114D39 L43 P52 A53 L54D39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-L43 VanDerWaalsContact C-N 3.35Å; P41-P52 HydrophobicContact CB-CB 4.07Å; P41-P52 HydrophobicContact CG-CB 4.2Å; P41-A53 PolarHBondContact O-N 3.4Å; P41-L54 HydrophobicContact CB-CD2 4.38Å
42K97.1Very high97Very high107 Ų10764.4 Ų64.447%0.46536%0.358SS..G310 helixtrans-81.5-12.3175.4-61.8-175177-178.60114.1N40 N50 P52N40-K42 PolarHBondContact O-N 3.31Å; N40-K42 PolarHBondContact OD1-N 2.94Å; N40-K42 VanDerWaalsContact OD1-N 3.12Å; K42-N50 WeakPolarHBondContact CG-O 3.43Å; K42-P52 HydrophobicContact CG-CB 4.39Å; K42-P52 HydrophobicContact CG-CG 4.02Å
43L97.2Very high97Very high110 Ų11064.6 Ų64.658%0.57636%0.359SS*.G310 helixtrans-109.312.2-177.4-61.3-179.2000112.5T38 N40 P41T38-L43 HydrophobicContact CG2-CB 4.05Å; N40-L43 HydrophobicContact CB-CB 4.4Å; N40-L43 HydrophobicContact CB-CD1 4.1Å; N40-L43 HydrophobicContact CB-CG 4.22Å; N40-L43 PolarHBondContact O-N 3.06Å; P41-L43 VanDerWaalsContact C-N 3.35Å
44V98.4Very high96.7Very high3 Ų367.5 Ų67.52%0.01837%0.37CS..SBendtrans-69.2-39.8-178.4171.10000111.6Y35 K36 T38 A53 A56Y35-V44 CarbonylContact C-O 3.51Å; Y35-V44 VanDerWaalsContact CA-O 3.29Å; Y35-V44 WeakPolarHBondContact CA-O 3.41Å; Y35-V44 HydrophobicContact CD2-CG1 4.21Å; Y35-V44 HydrophobicContact CE1-CG1 4.41Å; Y35-V44 HydrophobicContact CE2-CG1 3.71Å; K36-V44 PolarHBondContact N-O 3.26Å; K36-V44 WeakPolarHBondContact O-CA 3.42Å; T38-V44 HydrophobicContact CG2-CG2 3.9Å; V44-A53 HydrophobicContact CB-CB 3.85Å; V44-A53 HydrophobicContact CG1-CB 4.02Å; V44-A53 HydrophobicContact CG2-CB 4.15Å; V44-A56 HydrophobicContact CG1-CB 3.73Å; V44-A56 HydrophobicContact CG2-CB 4.11Å
45C98.3Very high96.3Very high7 Ų769.4 Ų69.45%0.04739%0.387CS..  trans-153.3146.4-175.861.40000109.2D32 Y35 S47 S48 C64D32-C45 WeakPolarHBondContact OD2-CB 3.01Å; Y35-C45 HydrophobicContact CD2-CB 3.96Å; C45-S47 VanDerWaalsContact C-N 3.34Å; C45-S48 PolarHBondContact O-OG 2.92Å; C45-S48 VanDerWaalsContact SG-CB 3.56Å; C45-C64 HydrophobicContact CB-CB 3.74Å; C45-C64 WeakPolarHBondContact CB-SG 3.38Å; C45-C64 VanDerWaalsContact SG-CA 3.53Å; C45-C64 WeakPolarHBondContact SG-CB 3.45Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 2.76Å
46A97.8Very high96.2Very high45 Ų4569.2 Ų69.237%0.37239%0.392SS..G310 helixtrans-72.2-33176.300000111.3D32 T34 S48 G49 V98D32-A46 PolarHBondContact OD2-N 3.15Å; T34-A46 HydrophobicContact CG2-CB 4.04Å; T34-A46 WeakPolarHBondContact OG1-CB 3.41Å; T34-A46 PolarHBondContact OG1-N 3.3Å; A46-S48 PolarHBondContact O-N 3.3Å; A46-S48 VanDerWaalsContact O-N 3.12Å; A46-G49 PolarHBondContact O-N 3.42Å; A46-V98 HydrophobicContact CB-CG1 3.82Å
47S98Very high96.2Very high3 Ų362.4 Ų62.42%0.02137%0.365CS..G310 helixtrans-61.1-19.3-178.766.10000114.7D32 C45 G49 C64 D65 W305D32-S47 WeakPolarHBondContact OD2-CB 3.13Å; D32-S47 PolarHBondContact OD2-N 2.86Å; D32-S47 VanDerWaalsContact OD2-N 3.13Å; D32-S47 PolarHBondContact OD2-OG 3.47Å; C45-S47 VanDerWaalsContact C-N 3.34Å; S47-G49 PolarHBondContact O-N 2.92Å; S47-C64 WeakPolarHBondContact OG-CA 3.48Å; S47-D65 VanDerWaalsContact CB-OD2 3.23Å; S47-D65 WeakPolarHBondContact CB-OD2 3.46Å; S47-D65 PolarHBondContact OG-N 3.01Å; S47-W305 PolarHBondContact O-NE1 3.23Å; S47-W305 VanDerWaalsContact O-NE1 3.17Å
48S97Very high96.2Very high0 Ų063.4 Ų63.40%037%0.365CS..G310 helixtrans-75.6-13.7176.4780000113C45 A46 N50 R51 A63C45-S48 PolarHBondContact O-OG 2.92Å; C45-S48 VanDerWaalsContact SG-CB 3.56Å; A46-S48 PolarHBondContact O-N 3.3Å; A46-S48 VanDerWaalsContact O-N 3.12Å; S48-N50 VanDerWaalsContact C-N 3.32Å; S48-N50 PolarHBondContact O-N 2.99Å; S48-R51 VanDerWaalsContact CB-O 3.31Å; S48-R51 WeakPolarHBondContact CB-O 3.28Å; S48-R51 VanDerWaalsContact O-CB 3.28Å; S48-R51 WeakPolarHBondContact O-CB 3.44Å; S48-R51 VanDerWaalsContact O-CG 3.3Å; S48-R51 WeakPolarHBondContact O-CG 3.2Å; S48-R51 PolarHBondContact O-N 3.34Å; S48-R51 PolarHBondContact O-NH1 2.9Å; S48-R51 PolarHBondContact OG-O 3.27Å; S48-A63 VanDerWaalsContact CA-O 3.25Å; S48-A63 WeakPolarHBondContact CA-O 3.26Å; S48-A63 WeakPolarHBondContact CB-O 3.16Å
49G95Very high96.4Very high54 Ų5461 Ų6156%0.55735%0.349SS*.THydrogen-bonded Turntrans57.343.4-17800000112.8A46 S47 R51A46-G49 PolarHBondContact O-N 3.42Å; S47-G49 PolarHBondContact O-N 2.92Å; G49-R51 PolarHBondContact O-N 2.8Å
50N92.4Very high96.5Very high117 Ų11752.8 Ų52.863%0.62631%0.306SS*.THydrogen-bonded Turntrans68.95.7-174-56.4-60.1000116K42 S48K42-N50 WeakPolarHBondContact CG-O 3.43Å; S48-N50 VanDerWaalsContact C-N 3.32Å; S48-N50 PolarHBondContact O-N 2.99Å
51R95.9Very high96.6Very high75 Ų7549.5 Ų49.528%0.28329%0.288SS..  trans-65.6132.9166.2-64.6-166.4-54.8-77.617.9108.6S48 G49 A53 E306 T308S48-R51 VanDerWaalsContact CB-O 3.31Å; S48-R51 WeakPolarHBondContact CB-O 3.28Å; S48-R51 VanDerWaalsContact O-CB 3.28Å; S48-R51 WeakPolarHBondContact O-CB 3.44Å; S48-R51 VanDerWaalsContact O-CG 3.3Å; S48-R51 WeakPolarHBondContact O-CG 3.2Å; S48-R51 PolarHBondContact O-N 3.34Å; S48-R51 PolarHBondContact O-NH1 2.9Å; S48-R51 PolarHBondContact OG-O 3.27Å; G49-R51 PolarHBondContact O-N 2.8Å; R51-A53 PolarHBondContact O-N 3.38Å; R51-E306 PolarHBondContact NH2-O 2.93Å; R51-E306 VanDerWaalsContact NH2-O 3.07Å; R51-T308 VanDerWaalsContact CZ-CG2 3.42Å; R51-T308 VanDerWaalsContact NH2-CG2 3.3Å
52P96.9Very high96.7Very high60 Ų6049.3 Ų49.339%0.3928%0.282SS..  trans-61.8120.4177.3-20.931.8000111.2P41 K42 L54P41-P52 HydrophobicContact CB-CB 4.07Å; P41-P52 HydrophobicContact CG-CB 4.2Å; K42-P52 HydrophobicContact CG-CB 4.39Å; K42-P52 HydrophobicContact CG-CG 4.02Å; P52-L54 VanDerWaalsContact C-N 3.28Å; P52-L54 HydrophobicContact CB-CD2 4.12Å; P52-L54 HydrophobicContact CB-CG 4.29Å; P52-L54 PolarHBondContact O-N 3.3Å
53A96.8Very high96.7Very high4 Ų444.8 Ų44.83%0.03327%0.265CS..  trans-80.577.8169.700000109.5P41 V44 R51 A56 A61 A63P41-A53 PolarHBondContact O-N 3.4Å; V44-A53 HydrophobicContact CB-CB 3.85Å; V44-A53 HydrophobicContact CG1-CB 4.02Å; V44-A53 HydrophobicContact CG2-CB 4.15Å; R51-A53 PolarHBondContact O-N 3.38Å; A53-A56 HydrophobicContact CB-CB 4.28Å; A53-A56 WeakPolarHBondContact O-CB 3.28Å; A53-A61 HydrophobicContact CB-CB 3.99Å; A53-A63 HydrophobicContact CB-CB 4.21Å
54L92.2Very high96.8Very high129 Ų12939.5 Ų39.568%0.67524%0.237SC*.THydrogen-bonded Turntrans-64.8142.7176.4-58.9178.7000109.8P41 P52 A56P41-L54 HydrophobicContact CB-CD2 4.38Å; P52-L54 VanDerWaalsContact C-N 3.28Å; P52-L54 HydrophobicContact CB-CD2 4.12Å; P52-L54 HydrophobicContact CB-CG 4.29Å; P52-L54 PolarHBondContact O-N 3.3Å; L54-A56 PolarHBondContact O-N 3.32Å
55S90.4Very high96.8Very high115 Ų11539.4 Ų39.480%0.80424%0.236SC*.THydrogen-bonded Turntrans57.528.6-179.6-520000114.3G57S55-G57 PolarHBondContact O-N 3.1Å
56A97.4Very high96.9Very high28 Ų2839 Ų3923%0.23123%0.234CC..  trans-57.3131.6171.900000111.2Y35 L37 V44 A53 L54 A61Y35-A56 WeakPolarHBondContact OH-CB 3.37Å; L37-A56 HydrophobicContact CD2-CB 3.89Å; V44-A56 HydrophobicContact CG1-CB 3.73Å; V44-A56 HydrophobicContact CG2-CB 4.11Å; A53-A56 HydrophobicContact CB-CB 4.28Å; A53-A56 WeakPolarHBondContact O-CB 3.28Å; L54-A56 PolarHBondContact O-N 3.32Å; A56-A61 HydrophobicContact CB-CB 4.03Å
57G98Very high96.9Very high9 Ų937 Ų379%0.09322%0.217CC..BIsolated β-bridgetrans-136.5-174.6178.700000112.3Y35 S55 F59 G60 N347Y35-G57 PolarHBondContact OH-N 2.85Å; Y35-G57 PolarHBondContact OH-O 3.29Å; S55-G57 PolarHBondContact O-N 3.1Å; G57-F59 PolarHBondContact O-N 2.89Å; G57-F59 VanDerWaalsContact O-N 3.08Å; G57-G60 PolarHBondContact N-O 2.91Å; G57-G60 VanDerWaalsContact N-O 3.13Å; G57-G60 PolarHBondContact O-N 2.91Å; G57-G60 VanDerWaalsContact O-N 3.1Å; G57-N347 VanDerWaalsContact CA-OD1 3.29Å; G57-N347 WeakPolarHBondContact CA-OD1 3.31Å
58K98.1Very high96.9Very high111 Ų11140.9 Ų40.948%0.48323%0.231SC..THydrogen-bonded Turntrans-54-35.3-173.6-179.7179.6174.7-174.20113.6H69 N347K58-H69 WeakPolarHBondContact CE-CD2 3.38Å; K58-H69 HydrophobicContact CG-CB 4.33Å; K58-H69 WeakPolarHBondContact O-CB 3.33Å; K58-N347 PolarHBondContact N-OD1 2.67Å
59F98.5Very high97Very high15 Ų1545.7 Ų45.77%0.06625%0.253CS..THydrogen-bonded Turntrans-96.71.6-174.3-59.7-75.3000113.4G57 P67 H69 L70 L341 L343 A346 N347 E351G57-F59 PolarHBondContact O-N 2.89Å; G57-F59 VanDerWaalsContact O-N 3.08Å; F59-P67 VanDerWaalsContact C-CG 3.48Å; F59-H69 HydrophobicContact CD1-CB 4.47Å; F59-L70 WeakPolarHBondContact O-CB 3.35Å; F59-L70 WeakPolarHBondContact O-CD2 3.47Å; F59-L341 HydrophobicContact CB-CD2 4.4Å; F59-L343 HydrophobicContact CB-CD1 3.88Å; F59-L343 WeakPolarHBondContact O-CD1 3.22Å; F59-A346 HydrophobicContact CD2-CB 3.97Å; F59-A346 WeakPolarHBondContact CD2-O 3.39Å; F59-A346 WeakPolarHBondContact CE2-O 3.48Å; F59-A346 HydrophobicContact CG-CB 4.43Å; F59-N347 PolarHBondContact N-OD1 3.48Å; F59-E351 HydrophobicContact CE1-CB 3.99Å; F59-E351 HydrophobicContact CE1-CG 3.92Å; F59-E351 HydrophobicContact CE2-CB 3.91Å; F59-E351 HydrophobicContact CZ-CB 3.5Å; F59-E351 HydrophobicContact CZ-CG 3.98Å
60G98.4Very high97.2Very high0 Ų043.1 Ų43.10%023%0.227CC..BIsolated β-bridgetrans128.3-167.6175.200000113.3Y35 G57 N347Y35-G60 VanDerWaalsContact OH-C 3.26Å; Y35-G60 WeakPolarHBondContact OH-CA 2.92Å; Y35-G60 PolarHBondContact OH-O 3.33Å; G57-G60 PolarHBondContact N-O 2.91Å; G57-G60 VanDerWaalsContact N-O 3.13Å; G57-G60 PolarHBondContact O-N 2.91Å; G57-G60 VanDerWaalsContact O-N 3.1Å; G60-N347 PolarHBondContact O-ND2 2.95Å
61A98.4Very high97.5Very high3 Ų337.5 Ų37.53%0.02520%0.197CC..  trans-151147.9173.600000107.7A53 A56 A63 C64A53-A61 HydrophobicContact CB-CB 3.99Å; A56-A61 HydrophobicContact CB-CB 4.03Å; A61-A63 PolarHBondContact O-N 3.39Å; A61-A63 VanDerWaalsContact O-N 3.16Å; A61-C64 HydrophobicContact CB-CB 4.34Å; A61-C64 WeakPolarHBondContact O-CA 3.48Å; A61-C64 PolarHBondContact O-N 2.7Å; A61-C64 VanDerWaalsContact O-O 3.07Å
62Y98.4Very high97.7Very high40 Ų4036.7 Ų36.716%0.15720%0.198CC..THydrogen-bonded Turntrans-62.3-23.9179.3-61.1-70.8000113.3C64 P304 W305 E306 A316 N318 L343 T344 Y398Y62-C64 PolarHBondContact O-N 2.92Å; Y62-P304 HydrophobicContact CD1-CB 3.85Å; Y62-P304 HydrophobicContact CE1-CB 4.27Å; Y62-W305 CarbonylContact O-C 3.52Å; Y62-W305 WeakPolarHBondContact O-CA 3.48Å; Y62-E306 VanDerWaalsContact O-CB 3.32Å; Y62-E306 WeakPolarHBondContact O-CB 3.48Å; Y62-E306 PolarHBondContact O-N 2.57Å; Y62-A316 HydrophobicContact CD1-CB 3.86Å; Y62-A316 HydrophobicContact CG-CB 4.21Å; Y62-N318 PolarHBondContact OH-OD1 2.72Å; Y62-L343 HydrophobicContact CD1-CD2 3.97Å; Y62-L343 HydrophobicContact CD2-CD2 4.49Å; Y62-L343 HydrophobicContact CE1-CB 4.09Å; Y62-L343 HydrophobicContact CE1-CD2 3.82Å; Y62-L343 HydrophobicContact CE2-CD2 4.37Å; Y62-L343 HydrophobicContact CG-CD2 4.31Å; Y62-T344 PolarHBondContact OH-OG1 3.4Å; Y62-Y398 AromaticContact CD1-CD2 3.96Å; Y62-Y398 HydrophobicContact CD1-CD2 3.96Å; Y62-Y398 AromaticContact CD1-CE2 3.8Å; Y62-Y398 HydrophobicContact CD1-CE2 3.8Å; Y62-Y398 HydrophobicContact CD2-CD2 4.5Å; Y62-Y398 AromaticContact CD2-CE2 3.78Å; Y62-Y398 HydrophobicContact CD2-CE2 3.78Å; Y62-Y398 AromaticContact CE1-CD2 3.44Å; Y62-Y398 HydrophobicContact CE1-CD2 3.44Å; Y62-Y398 VanDerWaalsContact CE1-CD2 3.44Å; Y62-Y398 AromaticContact CE1-CE2 3.68Å; Y62-Y398 HydrophobicContact CE1-CE2 3.68Å; Y62-Y398 HydrophobicContact CE1-CG 4.39Å; Y62-Y398 HydrophobicContact CE2-CD2 4.05Å; Y62-Y398 AromaticContact CE2-CE2 3.66Å; Y62-Y398 HydrophobicContact CE2-CE2 3.66Å; Y62-Y398 HydrophobicContact CG-CD2 4.45Å; Y62-Y398 AromaticContact CG-CE2 3.85Å; Y62-Y398 HydrophobicContact CG-CE2 3.85Å; Y62-Y398 AromaticContact CZ-CD2 3.48Å; Y62-Y398 VanDerWaalsContact CZ-CD2 3.48Å; Y62-Y398 AromaticContact CZ-CE2 3.59Å
63A97.8Very high97.7Very high12 Ų1234 Ų3410%0.09918%0.181CC..THydrogen-bonded Turntrans-75.8-9.1173.100000114.1S48 A53 A61S48-A63 VanDerWaalsContact CA-O 3.25Å; S48-A63 WeakPolarHBondContact CA-O 3.26Å; S48-A63 WeakPolarHBondContact CB-O 3.16Å; A53-A63 HydrophobicContact CB-CB 4.21Å; A61-A63 PolarHBondContact O-N 3.39Å; A61-A63 VanDerWaalsContact O-N 3.16Å
64C98.8Very high97.8Very high0 Ų033.9 Ų33.90%018%0.18CC..SBendtrans-116.6154.8-172.2-63.60000111.6Y35 C45 S47 A61 Y62 W305Y35-C64 HydrophobicContact CD2-CB 3.98Å; Y35-C64 HydrophobicContact CE2-CB 3.89Å; C45-C64 HydrophobicContact CB-CB 3.74Å; C45-C64 WeakPolarHBondContact CB-SG 3.38Å; C45-C64 VanDerWaalsContact SG-CA 3.53Å; C45-C64 WeakPolarHBondContact SG-CB 3.45Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 2.76Å; S47-C64 WeakPolarHBondContact OG-CA 3.48Å; A61-C64 HydrophobicContact CB-CB 4.34Å; A61-C64 WeakPolarHBondContact O-CA 3.48Å; A61-C64 PolarHBondContact O-N 2.7Å; A61-C64 VanDerWaalsContact O-O 3.07Å; Y62-C64 PolarHBondContact O-N 2.92Å; C64-W305 WeakPolarHBondContact O-CA 3.48Å
65D98.9Very high98.2Very high0 Ų027.7 Ų27.70%015%0.147CC..PPolyproline II helixtrans-72170.7160.4-85.3-44.3000111.3H30 D32 S47 P96 H97 T303 W305H30-D65 HydrophobicContact CB-CB 4.19Å; H30-D65 VanDerWaalsContact CB-OD1 3.22Å; H30-D65 WeakPolarHBondContact CB-OD1 3.31Å; H30-D65 IonicContact CG-OD1 3.14Å; H30-D65 WeakPolarHBondContact O-CB 3.36Å; D32-D65 HydrophobicContact CB-CB 3.9Å; S47-D65 VanDerWaalsContact CB-OD2 3.23Å; S47-D65 WeakPolarHBondContact CB-OD2 3.46Å; S47-D65 PolarHBondContact OG-N 3.01Å; D65-P96 HydrophobicContact CB-CB 4.25Å; D65-P96 WeakPolarHBondContact OD2-CA 3.32Å; D65-H97 IonicContact OD1-CE1 3.95Å; D65-H97 IonicContact OD1-ND1 2.74Å; D65-H97 PolarHBondContact OD1-ND1 2.99Å; D65-H97 WeakPolarHBondContact OD2-CB 3.37Å; D65-H97 IonicContact OD2-CG 3.89Å; D65-H97 PolarHBondContact OD2-N 3.4Å; D65-H97 IonicContact OD2-ND1 3.52Å; D65-H97 PolarHBondContact OD2-ND1 3.07Å; D65-T303 WeakPolarHBondContact CA-OG1 3.28Å; D65-T303 PolarHBondContact OD1-OG1 2.75Å; D65-W305 VanDerWaalsContact OD1-CB 3.27Å; D65-W305 WeakPolarHBondContact OD1-CB 3.35Å
66A98.9Very high98.6Very high0 Ų027.1 Ų27.10%013%0.128CC..BIsolated β-bridgetrans-67.6129-168.400000112.3L29 H30 W31 D32 L70 I71L29-A66 VanDerWaalsContact O-CB 3.29Å; L29-A66 WeakPolarHBondContact O-CB 3.45Å; H30-A66 PolarHBondContact O-N 2.91Å; W31-A66 WeakPolarHBondContact CA-O 3.37Å; D32-A66 PolarHBondContact N-O 3.07Å; A66-L70 HydrophobicContact CB-CB 4.38Å; A66-L70 HydrophobicContact CB-CD2 3.86Å; A66-L70 HydrophobicContact CB-CG 4.38Å; A66-I71 HydrophobicContact CB-CD1 3.71Å; A66-I71 HydrophobicContact CB-CG1 4.21Å
67P98.8Very high98.6Very high3 Ų325.8 Ų25.82%0.01912%0.117CC..PPolyproline II helixtrans-70.7160.1163.828.1-32.2000111.2Y35 F59 H69 L70 I71Y35-P67 HydrophobicContact CD1-CB 3.59Å; Y35-P67 HydrophobicContact CD1-CG 4.2Å; Y35-P67 HydrophobicContact CD2-CB 4.22Å; Y35-P67 HydrophobicContact CD2-CG 4.43Å; Y35-P67 HydrophobicContact CE1-CB 4.18Å; Y35-P67 HydrophobicContact CE1-CG 4.31Å; Y35-P67 HydrophobicContact CG-CB 3.64Å; Y35-P67 HydrophobicContact CG-CG 4.28Å; F59-P67 VanDerWaalsContact C-CG 3.48Å; P67-H69 PolarHBondContact O-N 3.42Å; P67-H69 VanDerWaalsContact O-N 3.08Å; P67-L70 HydrophobicContact CG-CB 4.08Å; P67-L70 WeakPolarHBondContact O-CB 3.49Å; P67-L70 PolarHBondContact O-N 3.42Å; P67-I71 PolarHBondContact O-N 2.81Å
68W98.8Very high98.7Very high83 Ų8325.4 Ų25.431%0.31411%0.113SC..Hα-helixtrans-54.6-33175.7-173.6-105.2000113.4W31 L70 I71 N72 N114 L115 I118W31-W68 AromaticContact CD2-CE3 3.7Å; W31-W68 HydrophobicContact CD2-CE3 3.7Å; W31-W68 HydrophobicContact CD2-CZ3 4.12Å; W31-W68 AromaticContact CE2-CE3 3.61Å; W31-W68 HydrophobicContact CE3-CE3 4Å; W31-W68 AromaticContact CE3-CZ3 3.97Å; W31-W68 HydrophobicContact CE3-CZ3 3.97Å; W31-W68 HydrophobicContact CG-CE3 4.2Å; W31-W68 HydrophobicContact CH2-CE3 4.15Å; W31-W68 HydrophobicContact CH2-CZ3 4.39Å; W31-W68 HydrophobicContact CZ2-CB 4.45Å; W31-W68 HydrophobicContact CZ2-CD2 4.42Å; W31-W68 AromaticContact CZ2-CE3 3.85Å; W31-W68 HydrophobicContact CZ2-CE3 3.85Å; W31-W68 HydrophobicContact CZ3-CE3 4.23Å; W31-W68 HydrophobicContact CZ3-CZ3 4.12Å; W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 3.47Å; W68-I71 HydrophobicContact CE3-CB 4.36Å; W68-I71 HydrophobicContact CE3-CG2 4.26Å; W68-I71 HydrophobicContact CZ3-CG2 4.14Å; W68-I71 PolarHBondContact O-N 3.2Å; W68-N72 VanDerWaalsContact O-CB 3.29Å; W68-N72 WeakPolarHBondContact O-CB 3.27Å; W68-N72 PolarHBondContact O-N 2.85Å; W68-N114 HydrophobicContact CH2-CB 4.08Å; W68-N114 HydrophobicContact CZ3-CB 4.04Å; W68-L115 HydrophobicContact CZ3-CD2 3.92Å; W68-I118 HydrophobicContact CH2-CB 4.09Å; W68-I118 HydrophobicContact CH2-CD1 4.27Å; W68-I118 HydrophobicContact CH2-CG2 3.95Å; W68-I118 HydrophobicContact CZ2-CB 4.24Å; W68-I118 HydrophobicContact CZ2-CD1 3.82Å; W68-I118 HydrophobicContact CZ2-CG2 4.5Å
69H98.7Very high98.7Very high101 Ų10123.3 Ų23.347%0.46810%0.104SC..Hα-helixtrans-60.4-36.5176.2-75.895.7000112.9K58 F59 P67 S73K58-H69 WeakPolarHBondContact CE-CD2 3.38Å; K58-H69 HydrophobicContact CG-CB 4.33Å; K58-H69 WeakPolarHBondContact O-CB 3.33Å; F59-H69 HydrophobicContact CD1-CB 4.47Å; P67-H69 PolarHBondContact O-N 3.42Å; P67-H69 VanDerWaalsContact O-N 3.08Å; H69-S73 WeakPolarHBondContact O-CB 3.21Å; H69-S73 PolarHBondContact O-N 2.81Å
70L98.9Very high98.7Very high0 Ų029.6 Ų29.60%013%0.127CC..Hα-helixtrans-73.7-44.5177179.558000111.3F59 A66 P67 W68 N72 S73 S74 V302 P304 P319 L341 W353F59-L70 WeakPolarHBondContact O-CB 3.35Å; F59-L70 WeakPolarHBondContact O-CD2 3.47Å; A66-L70 HydrophobicContact CB-CB 4.38Å; A66-L70 HydrophobicContact CB-CD2 3.86Å; A66-L70 HydrophobicContact CB-CG 4.38Å; P67-L70 HydrophobicContact CG-CB 4.08Å; P67-L70 WeakPolarHBondContact O-CB 3.49Å; P67-L70 PolarHBondContact O-N 3.42Å; W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 3.47Å; L70-N72 PolarHBondContact O-N 3.48Å; L70-S73 WeakPolarHBondContact O-CB 3.18Å; L70-S73 PolarHBondContact O-N 3.42Å; L70-S74 PolarHBondContact O-N 2.94Å; L70-V302 HydrophobicContact CD2-CG1 4.46Å; L70-V302 HydrophobicContact CG-CG1 4.13Å; L70-P304 HydrophobicContact CD2-CG 4.44Å; L70-P319 HydrophobicContact CD1-CB 3.94Å; L70-P319 HydrophobicContact CD1-CG 3.8Å; L70-P319 HydrophobicContact CD2-CB 4.23Å; L70-P319 HydrophobicContact CD2-CG 3.64Å; L70-P319 HydrophobicContact CG-CG 4.31Å; L70-L341 HydrophobicContact CD1-CD2 3.58Å; L70-W353 HydrophobicContact CD1-CZ2 4.16Å
71I98.9Very high98.7Very high0 Ų032.1 Ų32.10%014%0.14CC..Hα-helixtrans-55.2-51.5173.7-60-54.3000110.7L29 W31 A66 P67 W68 S73 S74 V75 L115 I118 V302L29-I71 HydrophobicContact CB-CD1 3.85Å; L29-I71 HydrophobicContact CD2-CD1 4.28Å; L29-I71 HydrophobicContact CD2-CG2 4.42Å; L29-I71 HydrophobicContact CG-CD1 4.13Å; L29-I71 WeakPolarHBondContact O-CD1 3.46Å; W31-I71 HydrophobicContact CB-CD1 4.48Å; W31-I71 HydrophobicContact CB-CG1 4.14Å; W31-I71 HydrophobicContact CG-CG1 4.38Å; A66-I71 HydrophobicContact CB-CD1 3.71Å; A66-I71 HydrophobicContact CB-CG1 4.21Å; P67-I71 PolarHBondContact O-N 2.81Å; W68-I71 HydrophobicContact CE3-CB 4.36Å; W68-I71 HydrophobicContact CE3-CG2 4.26Å; W68-I71 HydrophobicContact CZ3-CG2 4.14Å; W68-I71 PolarHBondContact O-N 3.2Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.91Å; I71-S74 PolarHBondContact O-N 3.32Å; I71-S74 PolarHBondContact O-OG 2.82Å; I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 2.86Å; I71-V75 VanDerWaalsContact O-N 3.17Å; I71-L115 HydrophobicContact CG1-CD2 4.4Å; I71-L115 HydrophobicContact CG2-CD2 3.44Å; I71-L115 VanDerWaalsContact CG2-CD2 3.44Å; I71-I118 HydrophobicContact CG2-CG2 4.49Å; I71-V302 HydrophobicContact CD1-CG1 4.33Å
72N98.8Very high98.7Very high58 Ų5832.3 Ų32.331%0.3114%0.141SC..Hα-helixtrans-62.1-43.6178.5-17586.6000111.1W68 L70 S74 Y76 I118W68-N72 VanDerWaalsContact O-CB 3.29Å; W68-N72 WeakPolarHBondContact O-CB 3.27Å; W68-N72 PolarHBondContact O-N 2.85Å; L70-N72 PolarHBondContact O-N 3.48Å; N72-S74 PolarHBondContact O-N 2.86Å; N72-Y76 WeakPolarHBondContact O-CB 3.46Å; N72-Y76 VanDerWaalsContact O-CD2 3.28Å; N72-Y76 WeakPolarHBondContact O-CD2 3.49Å; N72-Y76 PolarHBondContact O-N 2.89Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.27Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.46Å; N72-I118 HydrophobicContact CB-CD1 3.95Å; N72-I118 WeakPolarHBondContact OD1-CD1 3.36Å
73S98.9Very high98.7Very high3 Ų332.8 Ų32.82%0.02115%0.149CC..Hα-helixtrans-58.4-43.6176.7171.80000112.5H69 L70 I71 A77 E351 W353H69-S73 WeakPolarHBondContact O-CB 3.21Å; H69-S73 PolarHBondContact O-N 2.81Å; L70-S73 WeakPolarHBondContact O-CB 3.18Å; L70-S73 PolarHBondContact O-N 3.42Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.91Å; S73-A77 WeakPolarHBondContact O-CB 3.48Å; S73-A77 PolarHBondContact O-N 3.09Å; S73-E351 WeakPolarHBondContact OG-CG 3.27Å; S73-E351 PolarHBondContact OG-OE1 3.2Å; S73-W353 PolarHBondContact OG-NE1 3.22Å
74S98.9Very high98.7Very high1 Ų138.2 Ų38.21%0.00718%0.176CC..Hα-helixtrans-66-47.4-179.471.10000112.2L70 I71 N72 Y76 A77 M78 W353L70-S74 PolarHBondContact O-N 2.94Å; I71-S74 PolarHBondContact O-N 3.32Å; I71-S74 PolarHBondContact O-OG 2.82Å; N72-S74 PolarHBondContact O-N 2.86Å; S74-Y76 PolarHBondContact O-N 3.44Å; S74-A77 WeakPolarHBondContact O-CB 3.46Å; S74-A77 PolarHBondContact O-N 3.26Å; S74-A77 VanDerWaalsContact O-N 3.14Å; S74-M78 WeakPolarHBondContact O-CG 3.49Å; S74-M78 PolarHBondContact O-N 2.76Å; S74-W353 VanDerWaalsContact CA-CZ2 3.45Å
75V98.9Very high98.7Very high0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-64.9-41.4-179.8-1770000111.2I71 M78 K79 I118 I119 V122 F123I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 2.86Å; I71-V75 VanDerWaalsContact O-N 3.17Å; V75-M78 WeakPolarHBondContact O-CB 3.25Å; V75-M78 PolarHBondContact O-N 3.37Å; V75-K79 PolarHBondContact O-N 3.46Å; V75-K79 VanDerWaalsContact O-N 3.13Å; V75-I118 HydrophobicContact CG1-CG1 4.4Å; V75-I118 HydrophobicContact CG2-CG2 4.43Å; V75-I119 HydrophobicContact CG2-CG1 4.43Å; V75-V122 HydrophobicContact CG1-CB 3.72Å; V75-V122 HydrophobicContact CG1-CG1 3.93Å; V75-V122 HydrophobicContact CG1-CG2 3.81Å; V75-F123 HydrophobicContact CG1-CD2 4.4Å; V75-F123 HydrophobicContact CG1-CE2 4.11Å
76Y98.8Very high98.7Very high103 Ų10341.6 Ų41.640%0.40420%0.195SC..Hα-helixtrans-71.1-29.5174.3-83.7-84.3000112.8N72 S74 K79 R80 V122N72-Y76 WeakPolarHBondContact O-CB 3.46Å; N72-Y76 VanDerWaalsContact O-CD2 3.28Å; N72-Y76 WeakPolarHBondContact O-CD2 3.49Å; N72-Y76 PolarHBondContact O-N 2.89Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.27Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.46Å; S74-Y76 PolarHBondContact O-N 3.44Å; Y76-K79 PolarHBondContact O-N 2.81Å; Y76-R80 VanDerWaalsContact O-CG 3.31Å; Y76-R80 WeakPolarHBondContact O-CG 3.49Å; Y76-R80 PolarHBondContact O-N 3.15Å; Y76-V122 HydrophobicContact CD2-CG2 4.29Å; Y76-V122 HydrophobicContact CE1-CG2 4.24Å; Y76-V122 HydrophobicContact CE2-CG2 3.88Å
77A98.9Very high98.7Very high0 Ų041.7 Ų41.70%020%0.195CC..Hα-helixtrans-65-44.2171.200000111.3S73 S74 K79 R80 I81 I321 W353S73-A77 WeakPolarHBondContact O-CB 3.48Å; S73-A77 PolarHBondContact O-N 3.09Å; S74-A77 WeakPolarHBondContact O-CB 3.46Å; S74-A77 PolarHBondContact O-N 3.26Å; S74-A77 VanDerWaalsContact O-N 3.14Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.76Å; A77-R80 PolarHBondContact O-N 3Å; A77-R80 VanDerWaalsContact O-N 3.14Å; A77-I81 WeakPolarHBondContact O-CB 3.3Å; A77-I81 WeakPolarHBondContact O-CD1 3.29Å; A77-I81 VanDerWaalsContact O-CG1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.38Å; A77-I81 PolarHBondContact O-N 2.82Å; A77-I321 HydrophobicContact CB-CD1 4.15Å; A77-W353 HydrophobicContact CB-CB 3.84Å; A77-W353 HydrophobicContact CB-CD2 3.77Å; A77-W353 HydrophobicContact CB-CG 3.35Å
78M98.9Very high98.7Very high1 Ų141.5 Ų41.51%0.00519%0.194CC..Hα-helixtrans-53.2-48.4172.6-64.7160.363.100110.5W24 I26 S74 V75 R80 I81 L82 I88 F123 I321W24-M78 HydrophobicContact CB-CE 3.82Å; W24-M78 HydrophobicContact CD2-CB 4.08Å; W24-M78 HydrophobicContact CD2-CE 4.1Å; W24-M78 HydrophobicContact CD2-CG 3.93Å; W24-M78 HydrophobicContact CE3-CG 3.99Å; W24-M78 HydrophobicContact CG-CE 3.68Å; W24-M78 HydrophobicContact CG-CG 4.49Å; W24-M78 HydrophobicContact CH2-CB 4.37Å; W24-M78 HydrophobicContact CH2-CG 4.31Å; W24-M78 VanDerWaalsContact CZ2-CA 3.46Å; W24-M78 HydrophobicContact CZ2-CB 3.86Å; W24-M78 HydrophobicContact CZ2-CG 4.23Å; W24-M78 VanDerWaalsContact CZ2-O 3.31Å; W24-M78 WeakPolarHBondContact CZ2-O 3.42Å; W24-M78 HydrophobicContact CZ3-CG 4.18Å; I26-M78 HydrophobicContact CD1-CE 4.07Å; I26-M78 HydrophobicContact CD1-SD 4.2Å; I26-M78 HydrophobicContact CG1-CE 4.5Å; I26-M78 HydrophobicContact CG2-CE 3.8Å; I26-M78 HydrophobicContact CG2-SD 3.56Å; I26-M78 VanDerWaalsContact CG2-SD 3.56Å; S74-M78 WeakPolarHBondContact O-CG 3.49Å; S74-M78 PolarHBondContact O-N 2.76Å; V75-M78 WeakPolarHBondContact O-CB 3.25Å; V75-M78 PolarHBondContact O-N 3.37Å; M78-R80 VanDerWaalsContact C-N 3.35Å; M78-R80 PolarHBondContact O-N 2.82Å; M78-I81 PolarHBondContact O-N 2.96Å; M78-L82 CarbonylContact O-C 3.5Å; M78-L82 PolarHBondContact O-N 2.77Å; M78-I88 HydrophobicContact CE-CD1 4.25Å; M78-I88 HydrophobicContact CE-CG2 4.47Å; M78-F123 HydrophobicContact CB-CE2 4.02Å; M78-F123 HydrophobicContact CB-CZ 3.72Å; M78-F123 HydrophobicContact CE-CE2 4.06Å; M78-F123 HydrophobicContact CE-CZ 4.38Å; M78-I321 HydrophobicContact CG-CB 4.49Å; M78-I321 HydrophobicContact CG-CD1 3.78Å; M78-I321 HydrophobicContact CG-CG2 4.42Å
79K98.7Very high98.7Very high66 Ų6637.7 Ų37.729%0.28718%0.18SC..Hα-helixtrans-62.7-38.8179.6-17369.4-172.7179.20112.9V75 Y76 A77 P83 V122 F123V75-K79 PolarHBondContact O-N 3.46Å; V75-K79 VanDerWaalsContact O-N 3.13Å; Y76-K79 PolarHBondContact O-N 2.81Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.76Å; K79-P83 HydrophobicContact CD-CB 4.16Å; K79-P83 PolarHBondContact NZ-O 2.83Å; K79-P83 WeakPolarHBondContact O-CA 3.46Å; K79-P83 VanDerWaalsContact O-CB 3.28Å; K79-P83 WeakPolarHBondContact O-CB 3.36Å; K79-V122 HydrophobicContact CB-CG1 3.52Å; K79-V122 HydrophobicContact CD-CG1 4.01Å; K79-V122 WeakPolarHBondContact CD-O 3.38Å; K79-V122 HydrophobicContact CG-CG1 3.86Å; K79-F123 HydrophobicContact CB-CE1 4.41Å; K79-F123 HydrophobicContact CB-CE2 4.47Å; K79-F123 HydrophobicContact CB-CZ 3.96Å; K79-F123 HydrophobicContact CD-CD1 4.2Å; K79-F123 HydrophobicContact CD-CE1 3.83Å; K79-F123 HydrophobicContact CD-CZ 4.2Å
80R98.6Very high98.7Very high147 Ų14732.9 Ų32.956%0.55516%0.158SC*.Hα-helixtrans-68.4-35.9177.5-71.8-177.3-58.4-109.110.8112.5Y76 A77 M78 E351Y76-R80 VanDerWaalsContact O-CG 3.31Å; Y76-R80 WeakPolarHBondContact O-CG 3.49Å; Y76-R80 PolarHBondContact O-N 3.15Å; A77-R80 PolarHBondContact O-N 3Å; A77-R80 VanDerWaalsContact O-N 3.14Å; M78-R80 VanDerWaalsContact C-N 3.35Å; M78-R80 PolarHBondContact O-N 2.82Å; R80-E351 IonicContact NH2-OE1 3.75Å; R80-E351 PolarHBondContact NH2-OE1 3.33Å
81I98.6Very high98.7Very high54 Ų5432.9 Ų32.928%0.27716%0.158SC..Hα-helixtrans-82.9-48-174.9-67.2163.2000111.4W24 A77 M78 I321 Y339W24-I81 HydrophobicContact CH2-CB 3.98Å; W24-I81 HydrophobicContact CH2-CD1 4.26Å; W24-I81 HydrophobicContact CH2-CG2 3.78Å; W24-I81 HydrophobicContact CZ2-CB 3.92Å; W24-I81 HydrophobicContact CZ2-CG2 3.93Å; A77-I81 WeakPolarHBondContact O-CB 3.3Å; A77-I81 WeakPolarHBondContact O-CD1 3.29Å; A77-I81 VanDerWaalsContact O-CG1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.38Å; A77-I81 PolarHBondContact O-N 2.82Å; M78-I81 PolarHBondContact O-N 2.96Å; I81-I321 HydrophobicContact CD1-CD1 4.29Å; I81-Y339 HydrophobicContact CD1-CD1 3.74Å; I81-Y339 HydrophobicContact CD1-CD2 4.45Å; I81-Y339 HydrophobicContact CD1-CE1 4.13Å; I81-Y339 HydrophobicContact CD1-CG 3.93Å; I81-Y339 HydrophobicContact CG1-CE1 4.49Å; I81-Y339 HydrophobicContact CG2-CD2 4.47Å; I81-Y339 HydrophobicContact CG2-CE1 3.91Å; I81-Y339 HydrophobicContact CG2-CE2 3.86Å
82L98.5Very high98.7Very high6 Ų633 Ų333%0.03116%0.158CC..  trans-139.188.8179.2176.763.6000107.9R22 W24 M78 D84 P85 V323R22-L82 HydrophobicContact CB-CD1 4.37Å; R22-L82 HydrophobicContact CB-CD2 3.66Å; R22-L82 VanDerWaalsContact CZ-CD1 3.45Å; W24-L82 HydrophobicContact CZ2-CB 3.62Å; W24-L82 PolarHBondContact NE1-O 2.95Å; M78-L82 CarbonylContact O-C 3.5Å; M78-L82 PolarHBondContact O-N 2.77Å; L82-D84 VanDerWaalsContact C-N 3.33Å; L82-D84 PolarHBondContact O-N 3.01Å; L82-P85 HydrophobicContact CD2-CB 3.79Å; L82-P85 HydrophobicContact CG-CB 4.04Å; L82-V323 HydrophobicContact CD2-CG1 3.94Å; L82-V323 HydrophobicContact CD2-CG2 4.4Å
83P98.2Very high98.7Very high50 Ų5030.2 Ų30.233%0.32514%0.144SC..SBendtrans-69.7-30-173.823.3-32.5000113.8K79 P85K79-P83 HydrophobicContact CD-CB 4.16Å; K79-P83 PolarHBondContact NZ-O 2.83Å; K79-P83 WeakPolarHBondContact O-CA 3.46Å; K79-P83 VanDerWaalsContact O-CB 3.28Å; K79-P83 WeakPolarHBondContact O-CB 3.36Å; P83-P85 VanDerWaalsContact C-CD 3.41Å; P83-P85 WeakPolarHBondContact O-CD 3.5Å
84D97.7Very high98.7Very high127 Ų12730.1 Ų30.168%0.67914%0.143SC*.SBendtrans-12667.7-173.6-49.1-55.8000109.5L82L82-D84 VanDerWaalsContact C-N 3.33Å; L82-D84 PolarHBondContact O-N 3.01Å
85P98.4Very high98.7Very high9 Ų930.1 Ų30.16%0.05814%0.143CC..  trans-70.1153.1171.734.8-37.8000110L82 P83 F87 I88 F123 T126L82-P85 HydrophobicContact CD2-CB 3.79Å; L82-P85 HydrophobicContact CG-CB 4.04Å; P83-P85 VanDerWaalsContact C-CD 3.41Å; P83-P85 WeakPolarHBondContact O-CD 3.5Å; P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 PolarHBondContact O-N 2.84Å; P85-I88 HydrophobicContact CG-CG1 4.29Å; P85-F123 HydrophobicContact CG-CD1 4.17Å; P85-F123 HydrophobicContact CG-CE1 4.1Å; P85-T126 HydrophobicContact CG-CG2 3.83Å
86D98.4Very high98.7Very high62 Ų6230.3 Ų30.333%0.33214%0.144SC..SBendtrans-63.7-37.7176-69.2-31.5000111G21 R22 L181 Y326G21-D86 WeakPolarHBondContact CA-OD2 3.19Å; R22-D86 PolarHBondContact N-OD2 3.07Å; R22-D86 WeakPolarHBondContact O-CB 3.42Å; R22-D86 PolarHBondContact O-N 2.84Å; D86-L181 HydrophobicContact CB-CD1 4.34Å; D86-L181 HydrophobicContact CB-CD2 3.96Å; D86-L181 WeakPolarHBondContact O-CD2 3.48Å; D86-Y326 WeakPolarHBondContact OD2-CE1 3.3Å; D86-Y326 PolarHBondContact OD2-OH 2.98Å
87F98.8Very high98.7Very high1 Ų126.9 Ų26.90%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-161.9174.417456.6-86000110.8F23 W24 P85 V89 K127 Y129 L180 L181 Y231 Y326F23-F87 WeakPolarHBondContact CA-O 3.32Å; F23-F87 HydrophobicContact CB-CD1 3.97Å; F23-F87 HydrophobicContact CB-CD2 3.61Å; F23-F87 HydrophobicContact CB-CE1 3.8Å; F23-F87 HydrophobicContact CB-CE2 3.43Å; F23-F87 VanDerWaalsContact CB-CE2 3.43Å; F23-F87 HydrophobicContact CB-CG 3.88Å; F23-F87 HydrophobicContact CB-CZ 3.53Å; F23-F87 VanDerWaalsContact CB-O 3.23Å; F23-F87 WeakPolarHBondContact CB-O 3.23Å; F23-F87 AromaticContact CD1-CE1 3.88Å; F23-F87 HydrophobicContact CD1-CE1 3.88Å; F23-F87 AromaticContact CD1-CE2 3.75Å; F23-F87 HydrophobicContact CD1-CE2 3.75Å; F23-F87 AromaticContact CD1-CZ 3.24Å; F23-F87 HydrophobicContact CD1-CZ 3.24Å; F23-F87 HydrophobicContact CD2-CD2 4.23Å; F23-F87 AromaticContact CD2-CE2 3.49Å; F23-F87 HydrophobicContact CD2-CE2 3.49Å; F23-F87 VanDerWaalsContact CD2-CE2 3.49Å; F23-F87 AromaticContact CD2-CZ 3.92Å; F23-F87 HydrophobicContact CD2-CZ 3.92Å; F23-F87 HydrophobicContact CE1-CE2 4.31Å; F23-F87 AromaticContact CE1-CZ 3.79Å; F23-F87 HydrophobicContact CE1-CZ 3.79Å; F23-F87 HydrophobicContact CE2-CE2 4.09Å; F23-F87 HydrophobicContact CE2-CZ 4.39Å; F23-F87 AromaticContact CG-CD2 3.99Å; F23-F87 HydrophobicContact CG-CD2 3.99Å; F23-F87 HydrophobicContact CG-CE1 4.01Å; F23-F87 AromaticContact CG-CE2 3.29Å; F23-F87 HydrophobicContact CG-CE2 3.29Å; F23-F87 AromaticContact CG-CZ 3.3Å; F23-F87 HydrophobicContact CG-CZ 3.3Å; F23-F87 HydrophobicContact CZ-CE2 4.45Å; F23-F87 HydrophobicContact CZ-CZ 4.33Å; W24-F87 PolarHBondContact N-O 3.31Å; P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 PolarHBondContact O-N 2.84Å; F87-V89 HydrophobicContact CD2-CG2 4.11Å; F87-V89 HydrophobicContact CE2-CG2 3.86Å; F87-K127 WeakPolarHBondContact CA-O 3.22Å; F87-K127 WeakPolarHBondContact CB-O 3.39Å; F87-Y129 HydrophobicContact CB-CD2 4.08Å; F87-Y129 HydrophobicContact CB-CE2 3.69Å; F87-Y129 AromaticContact CD2-CD2 3.75Å; F87-Y129 HydrophobicContact CD2-CD2 3.75Å; F87-Y129 AromaticContact CD2-CE2 3.89Å; F87-Y129 HydrophobicContact CD2-CE2 3.89Å; F87-Y129 HydrophobicContact CG-CD2 4.12Å; F87-Y129 AromaticContact CG-CE2 3.81Å; F87-Y129 HydrophobicContact CG-CE2 3.81Å; F87-L180 HydrophobicContact CD1-CD1 4.04Å; F87-L180 HydrophobicContact CD2-CD1 4.35Å; F87-L180 HydrophobicContact CE1-CD1 3.81Å; F87-L180 HydrophobicContact CE1-CD2 4.3Å; F87-L180 HydrophobicContact CE1-CG 4.28Å; F87-L180 HydrophobicContact CE2-CD1 4.11Å; F87-L180 HydrophobicContact CG-CD1 4.31Å; F87-L180 HydrophobicContact CZ-CD1 3.85Å; F87-L180 HydrophobicContact CZ-CD2 4.37Å; F87-L181 HydrophobicContact CD1-CD2 3.92Å; F87-L181 HydrophobicContact CD1-CG 4.29Å; F87-Y231 HydrophobicContact CZ-CD2 4.34Å; F87-Y231 HydrophobicContact CZ-CE2 4.08Å; F87-Y326 AromaticContact CE1-CE1 4Å; F87-Y326 HydrophobicContact CE1-CE1 4Å; F87-Y326 AromaticContact CE1-CZ 3.97Å
88I98.9Very high98.6Very high0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-122136.3171.4-61169.1000108.7W24 I26 M78 P85 I119 F123 T126 K127 V128 Y129W24-I88 HydrophobicContact CB-CG1 4.18Å; W24-I88 HydrophobicContact CB-CG2 4.25Å; I26-I88 HydrophobicContact CD1-CG2 4.47Å; I26-I88 HydrophobicContact CG1-CG2 4.24Å; M78-I88 HydrophobicContact CE-CD1 4.25Å; M78-I88 HydrophobicContact CE-CG2 4.47Å; P85-I88 HydrophobicContact CG-CG1 4.29Å; I88-I119 HydrophobicContact CD1-CG2 4.38Å; I88-F123 HydrophobicContact CD1-CB 4.02Å; I88-F123 HydrophobicContact CD1-CD1 4.21Å; I88-F123 HydrophobicContact CD1-CD2 3.78Å; I88-F123 HydrophobicContact CD1-CE2 4.25Å; I88-F123 HydrophobicContact CD1-CG 3.75Å; I88-T126 HydrophobicContact CD1-CG2 4.06Å; I88-T126 HydrophobicContact CG1-CG2 3.85Å; I88-K127 PolarHBondContact N-O 2.97Å; I88-V128 HydrophobicContact CB-CG1 4.29Å; I88-V128 HydrophobicContact CB-CG2 4.21Å; I88-V128 HydrophobicContact CD1-CG2 4.44Å; I88-V128 HydrophobicContact CG2-CG1 4.27Å; I88-V128 CarbonylContact O-C 3.53Å; I88-V128 WeakPolarHBondContact O-CA 3.41Å; I88-Y129 PolarHBondContact O-N 3.34Å
89V98.9Very high98.6Very high3 Ų333.3 Ų33.32%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-99.4124.8164.8171.20000108F23 W24 H25 I26 F87 T91 I233F23-V89 HydrophobicContact CD2-CG2 4.1Å; F23-V89 HydrophobicContact CE2-CG2 4.19Å; W24-V89 PolarHBondContact O-N 2.81Å; H25-V89 WeakPolarHBondContact CA-O 3.35Å; H25-V89 HydrophobicContact CB-CB 4.32Å; I26-V89 PolarHBondContact N-O 2.87Å; F87-V89 HydrophobicContact CD2-CG2 4.11Å; F87-V89 HydrophobicContact CE2-CG2 3.86Å; V89-T91 HydrophobicContact CG1-CG2 3.86Å; V89-I233 HydrophobicContact CB-CG2 4.48Å; V89-I233 HydrophobicContact CG1-CB 4.4Å; V89-I233 HydrophobicContact CG1-CD1 4.43Å; V89-I233 HydrophobicContact CG1-CG2 3.39Å; V89-I233 HydrophobicContact CG2-CG2 4.26Å
90W98.9Very high98.5Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-124.4109.4175.517722.4000109.4I26 G92 D94 L115 I119 V128 Y129 S130 A131 W158 W161I26-W90 HydrophobicContact CD1-CG 4.49Å; I26-W90 HydrophobicContact CG1-CB 4.23Å; I26-W90 HydrophobicContact CG1-CG 4.37Å; I26-W90 VanDerWaalsContact O-CA 3.32Å; I26-W90 WeakPolarHBondContact O-CA 3.45Å; W90-G92 PolarHBondContact O-N 2.93Å; W90-D94 VanDerWaalsContact CZ2-CG 3.44Å; W90-D94 WeakPolarHBondContact CZ2-OD1 3.5Å; W90-D94 WeakPolarHBondContact CZ2-OD2 3.27Å; W90-D94 PolarHBondContact NE1-OD1 3.33Å; W90-L115 HydrophobicContact CH2-CB 3.82Å; W90-L115 HydrophobicContact CZ2-CB 3.77Å; W90-L115 HydrophobicContact CZ2-CD1 4.26Å; W90-I119 HydrophobicContact CD2-CD1 3.85Å; W90-I119 HydrophobicContact CE3-CD1 3.74Å; W90-I119 HydrophobicContact CG-CD1 4.47Å; W90-I119 HydrophobicContact CH2-CD1 4.16Å; W90-I119 HydrophobicContact CZ2-CD1 4.21Å; W90-I119 HydrophobicContact CZ3-CD1 3.93Å; W90-V128 HydrophobicContact CB-CG1 4.04Å; W90-V128 HydrophobicContact CE3-CG1 4.46Å; W90-Y129 PolarHBondContact N-O 2.76Å; W90-S130 VanDerWaalsContact CE3-OG 3.25Å; W90-S130 CarbonylContact O-C 3.56Å; W90-S130 WeakPolarHBondContact O-CA 3.25Å; W90-S130 PolarHBondContact O-OG 2.93Å; W90-A131 PolarHBondContact O-N 3.32Å; W90-W158 HydrophobicContact CZ3-CZ2 4.17Å; W90-W161 HydrophobicContact CE3-CH2 4.31Å; W90-W161 HydrophobicContact CE3-CZ3 4.1Å; W90-W161 HydrophobicContact CZ3-CH2 4.1Å; W90-W161 AromaticContact CZ3-CZ3 3.97Å; W90-W161 HydrophobicContact CZ3-CZ3 3.97Å
91T98.9Very high98.5Very high0 Ų033 Ų330%017%0.17CC..  trans-97.730.5-172.944.70000114.1H25 I26 T27 V89 A131 I233 G234 H235H25-T91 PolarHBondContact NE2-OG1 3.3Å; I26-T91 PolarHBondContact O-N 3.24Å; I26-T91 VanDerWaalsContact O-N 3.11Å; T27-T91 WeakPolarHBondContact CB-OG1 3.16Å; T27-T91 PolarHBondContact OG1-OG1 2.93Å; V89-T91 HydrophobicContact CG1-CG2 3.86Å; T91-A131 CarbonylContact C-O 3.55Å; T91-A131 HydrophobicContact CG2-CB 4.5Å; T91-I233 HydrophobicContact CG2-CB 4.31Å; T91-I233 HydrophobicContact CG2-CG2 4.2Å; T91-G234 VanDerWaalsContact CG2-O 3.32Å; T91-G234 WeakPolarHBondContact CG2-O 3.09Å; T91-H235 WeakPolarHBondContact O-CB 3.37Å; T91-H235 PolarHBondContact O-ND1 3.36Å
92G98.6Very high98.4Very high1 Ų135 Ų351%0.0118%0.181CC..  trans73.1-160.4168.500000115.8D28 W90 A131 D136D28-G92 PolarHBondContact N-O 2.86Å; W90-G92 PolarHBondContact O-N 2.93Å; G92-A131 VanDerWaalsContact CA-O 3.25Å; G92-A131 WeakPolarHBondContact CA-O 3.29Å; G92-A131 PolarHBondContact N-O 3.38Å; G92-A131 VanDerWaalsContact N-O 3.17Å; G92-D136 WeakPolarHBondContact CA-OD2 3.2Å
93D98.8Very high98.3Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..  trans65.874.9-171.2-99.224.5000112.9D28 L29 H30 G133 N134 H135 D136 H235D28-D93 CarbonylContact C-O 3.37Å; D28-D93 WeakPolarHBondContact CA-O 3.31Å; D28-D93 HydrophobicContact CB-CB 4.5Å; L29-D93 PolarHBondContact N-O 3.31Å; H30-D93 IonicContact CE1-OD2 2.71Å; H30-D93 PolarHBondContact CE1-OD2 2.88Å; H30-D93 PolarHBondContact N-O 3.45Å; H30-D93 WeakPolarHBondContact NE2-CB 3.47Å; H30-D93 IonicContact NE2-OD2 3.58Å; H30-D93 PolarHBondContact NE2-OD2 3.43Å; D93-G133 WeakPolarHBondContact OD1-CA 3.46Å; D93-N134 PolarHBondContact OD1-N 2.86Å; D93-H135 WeakPolarHBondContact OD1-CB 3.4Å; D93-H135 PolarHBondContact OD1-N 3.08Å; D93-H135 IonicContact OD2-CD2 3.49Å; D93-H135 PolarHBondContact OD2-CD2 3.32Å; D93-H135 IonicContact OD2-CG 2.6Å; D93-D136 PolarHBondContact N-OD2 2.7Å; D93-H235 WeakPolarHBondContact CB-CE1 3.26Å; D93-H235 IonicContact OD1-CD2 3.8Å; D93-H235 IonicContact OD1-CE1 2.8Å; D93-H235 IonicContact OD1-NE2 3.94Å; D93-H235 PolarHBondContact OD1-NE2 3.28Å; D93-H235 IonicContact OD2-CE1 2.76Å; D93-H235 IonicContact OD2-NE2 2.93Å; D93-H235 PolarHBondContact OD2-NE2 3.45Å
94D98.9Very high98.3Very high1 Ų134.5 Ų34.51%0.00518%0.182CC..  trans-97.9-28.1-168.8-68-11.8000112.7H30 W31 W90 I111 I112 L115 D136H30-D94 CarbonylContact C-O 3.57Å; H30-D94 WeakPolarHBondContact CA-O 3.45Å; W31-D94 PolarHBondContact N-O 3.05Å; W90-D94 VanDerWaalsContact CZ2-CG 3.44Å; W90-D94 WeakPolarHBondContact CZ2-OD1 3.5Å; W90-D94 WeakPolarHBondContact CZ2-OD2 3.27Å; W90-D94 PolarHBondContact NE1-OD1 3.33Å; D94-I111 HydrophobicContact CB-CG2 4.08Å; D94-I111 VanDerWaalsContact O-CG2 3.26Å; D94-I111 WeakPolarHBondContact O-CG2 3.29Å; D94-I112 HydrophobicContact CB-CG1 4.07Å; D94-I112 WeakPolarHBondContact OD2-CG1 3.49Å; D94-L115 HydrophobicContact CB-CD1 3.48Å; D94-L115 VanDerWaalsContact CB-CD1 3.48Å; D94-D136 VanDerWaalsContact CB-OD1 3.26Å; D94-D136 WeakPolarHBondContact CB-OD1 3.26Å; D94-D136 PolarHBondContact N-OD1 3.33Å
95T98.9Very high98.3Very high0 Ų031.3 Ų31.30%016%0.164CC..SBendtrans-101.8153.6-168.682.10000112.5H30 L103 V108 I111 H135H30-T95 PolarHBondContact ND1-O 3.11Å; T95-L103 HydrophobicContact CG2-CD2 4.49Å; T95-L103 WeakPolarHBondContact OG1-CD2 3.27Å; T95-V108 HydrophobicContact CG2-CB 4.31Å; T95-V108 HydrophobicContact CG2-CG1 4.06Å; T95-V108 HydrophobicContact CG2-CG2 4.25Å; T95-I111 HydrophobicContact CG2-CB 4.23Å; T95-I111 HydrophobicContact CG2-CD1 4.23Å; T95-I111 HydrophobicContact CG2-CG2 4Å; T95-H135 WeakPolarHBondContact CG2-O 3.42Å; T95-H135 PolarHBondContact OG1-O 2.88Å
96P98.8Very high98.3Very high4 Ų438.7 Ų38.73%0.02620%0.197CC..  trans-76.2161.2-169.331.5-33.2000112.9W31 D32 D65 V98W31-P96 VanDerWaalsContact O-CD 3.26Å; W31-P96 WeakPolarHBondContact O-CD 3.25Å; D32-P96 HydrophobicContact CB-CB 3.98Å; D65-P96 HydrophobicContact CB-CB 4.25Å; D65-P96 WeakPolarHBondContact OD2-CA 3.32Å; P96-V98 HydrophobicContact CB-CG1 4.29Å; P96-V98 HydrophobicContact CG-CG1 4.2Å; P96-V98 HydrophobicContact CG-CG2 4.19Å; P96-V98 PolarHBondContact O-N 3.27Å
97H98.7Very high98.3Very high32 Ų3241.4 Ų41.415%0.14821%0.206CC..SBendtrans-72.871173.3-65.888000111.9H30 D65 H135 H278 W305H30-H97 AromaticContact CD2-CE1 3.77Å; H30-H97 AromaticContact CE1-CE1 3.24Å; H30-H97 PolarHBondContact CE1-CE1 3.44Å; H30-H97 AromaticContact CE1-NE2 3.74Å; H30-H97 AromaticContact CG-CE1 3.73Å; H30-H97 AromaticContact ND1-CE1 3.41Å; H30-H97 PolarHBondContact ND1-CE1 3.02Å; H30-H97 AromaticContact ND1-ND1 3.77Å; H30-H97 AromaticContact NE2-CE1 3.44Å; H30-H97 PolarHBondContact NE2-CE1 3.5Å; D65-H97 IonicContact OD1-CE1 3.95Å; D65-H97 IonicContact OD1-ND1 2.74Å; D65-H97 PolarHBondContact OD1-ND1 2.99Å; D65-H97 WeakPolarHBondContact OD2-CB 3.37Å; D65-H97 IonicContact OD2-CG 3.89Å; D65-H97 PolarHBondContact OD2-N 3.4Å; D65-H97 IonicContact OD2-ND1 3.52Å; D65-H97 PolarHBondContact OD2-ND1 3.07Å; H97-H135 AromaticContact CD2-CE1 3.51Å; H97-H135 AromaticContact CD2-NE2 3.7Å; H97-H135 AromaticContact NE2-CE1 3.89Å; H97-H135 AromaticContact NE2-NE2 3.76Å; H97-H278 AromaticContact CE1-CE1 3.62Å; H97-W305 HydrophobicContact CB-CD2 4.45Å; H97-W305 HydrophobicContact CB-CH2 4.43Å; H97-W305 HydrophobicContact CB-CZ2 3.9Å; H97-W305 AromaticContact CD2-CH2 3.68Å; H97-W305 AromaticContact CD2-CZ3 3.71Å; H97-W305 AromaticContact CE1-CE3 3.79Å; H97-W305 AromaticContact CE1-CZ3 3.99Å; H97-W305 AromaticContact CG-CD2 4Å; H97-W305 AromaticContact CG-CE2 3.86Å; H97-W305 AromaticContact CG-CH2 3.99Å; H97-W305 AromaticContact CG-CZ2 3.9Å; H97-W305 AromaticContact ND1-CD2 3.8Å; H97-W305 AromaticContact ND1-CE3 3.88Å; H97-W305 AromaticContact NE2-CE3 3.94Å; H97-W305 AromaticContact NE2-CZ3 3.65Å
98V98.4Very high98.3Very high13 Ų1341.4 Ų41.48%0.07921%0.206CC..  trans-118.3175.1176.1-60.90000111.9A46 P96 D102 L103 K140A46-V98 HydrophobicContact CB-CG1 3.82Å; P96-V98 HydrophobicContact CB-CG1 4.29Å; P96-V98 HydrophobicContact CG-CG1 4.2Å; P96-V98 HydrophobicContact CG-CG2 4.19Å; P96-V98 PolarHBondContact O-N 3.27Å; V98-D102 HydrophobicContact CG2-CB 4.43Å; V98-L103 HydrophobicContact CG2-CB 3.63Å; V98-L103 HydrophobicContact CG2-CD2 4.14Å; V98-L103 HydrophobicContact CG2-CG 4.34Å; V98-K140 PolarHBondContact O-NZ 3.25Å
99Q97.6Very high98.3Very high123 Ų12342.7 Ų42.758%0.57521%0.213SC*.  trans-73.5152.5173.8-59.7-59.2-31.300110.3E101 D102 L103Q99-E101 WeakPolarHBondContact CB-OE2 3.32Å; Q99-E101 PolarHBondContact O-N 3.46Å; Q99-D102 PolarHBondContact O-N 2.76Å; Q99-D102 VanDerWaalsContact O-N 3.1Å; Q99-L103 PolarHBondContact O-N 3.29Å
100N97.7Very high98.3Very high47 Ų4745.6 Ų45.625%0.25123%0.233SC..G310 helixtrans-62.1-32.6-177.3-74.5-48.8000111.8D102 L103 H138 K140N100-D102 PolarHBondContact O-N 3.38Å; N100-L103 CarbonylContact O-C 3.52Å; N100-L103 PolarHBondContact O-N 3.13Å; N100-H138 PolarHBondContact O-CE1 3.42Å; N100-K140 PolarHBondContact OD1-N 2.94Å
101E97.2Very high98.3Very high160 Ų16045.9 Ų45.975%0.74824%0.235SC*.G310 helixtrans-63.1-26.7179.1-62.670.5-153.800112.1Q99Q99-E101 WeakPolarHBondContact CB-OE2 3.32Å; Q99-E101 PolarHBondContact O-N 3.46Å
102D96.3Very high98.3Very high96 Ų9645.9 Ų45.951%0.51324%0.235SC..G310 helixtrans-90.9-14.7-179.8-62.6-45.1000112.7V98 Q99 N100 K107V98-D102 HydrophobicContact CG2-CB 4.43Å; Q99-D102 PolarHBondContact O-N 2.76Å; Q99-D102 VanDerWaalsContact O-N 3.1Å; N100-D102 PolarHBondContact O-N 3.38Å; D102-K107 PolarHBondContact O-NZ 3Å
103L97.4Very high98.3Very high15 Ų1546.8 Ų46.88%0.07924%0.244CC..SBendtrans-133.583-172.9-170.875.1000111.9T95 V98 Q99 N100 K107 V108 I111 H138T95-L103 HydrophobicContact CG2-CD2 4.49Å; T95-L103 WeakPolarHBondContact OG1-CD2 3.27Å; V98-L103 HydrophobicContact CG2-CB 3.63Å; V98-L103 HydrophobicContact CG2-CD2 4.14Å; V98-L103 HydrophobicContact CG2-CG 4.34Å; Q99-L103 PolarHBondContact O-N 3.29Å; N100-L103 CarbonylContact O-C 3.52Å; N100-L103 PolarHBondContact O-N 3.13Å; L103-K107 HydrophobicContact CD1-CB 3.75Å; L103-K107 HydrophobicContact CD1-CD 4.3Å; L103-V108 HydrophobicContact CD2-CG2 4Å; L103-V108 HydrophobicContact CG-CG2 3.92Å; L103-I111 HydrophobicContact CD1-CD1 3.98Å; L103-H138 PolarHBondContact O-CE1 3.36Å; L103-H138 PolarHBondContact O-ND1 2.96Å
104G97.8Very high98.3Very high29 Ų2949.1 Ų49.130%0.29926%0.256SS..  trans-76.4168.2174.500000114.4E106 K107 V108G104-E106 VanDerWaalsContact C-N 3.31Å; G104-E106 PolarHBondContact O-N 2.88Å; G104-K107 WeakPolarHBondContact O-CB 3.48Å; G104-K107 PolarHBondContact O-N 3.09Å; G104-V108 PolarHBondContact O-N 3.43Å; G104-V108 VanDerWaalsContact O-N 3.15Å
105E98.3Very high98.3Very high61 Ų6149 Ų4929%0.28526%0.256SS..Hα-helixtrans-48.9-45.6-178.4176178.5147.400113.5K107 V108 I109 H138 S149 I150 K153E105-K107 VanDerWaalsContact C-N 3.29Å; E105-K107 PolarHBondContact O-N 3.39Å; E105-V108 WeakPolarHBondContact O-CB 3.33Å; E105-V108 PolarHBondContact O-N 3.44Å; E105-I109 HydrophobicContact CG-CG1 4.29Å; E105-I109 WeakPolarHBondContact O-CG1 3.26Å; E105-I109 PolarHBondContact O-N 3.24Å; E105-H138 HydrophobicContact CB-CB 4.23Å; E105-S149 PolarHBondContact OE1-OG 3.09Å; E105-S149 PolarHBondContact OE2-OG 2.91Å; E105-I150 HydrophobicContact CG-CD1 3.86Å; E105-I150 HydrophobicContact CG-CG1 3.77Å; E105-K153 IonicContact OE1-NZ 2.7Å; E105-K153 PolarHBondContact OE1-NZ 3.24Å
106E98.1Very high98.3Very high164 Ų16449.5 Ų49.577%0.76626%0.259SS*.Hα-helixtrans-61.5-37.2-179-66.4-174.9163.500112.6G104 S110G104-E106 VanDerWaalsContact C-N 3.31Å; G104-E106 PolarHBondContact O-N 2.88Å; E106-S110 VanDerWaalsContact O-CB 3.27Å; E106-S110 WeakPolarHBondContact O-CB 3.15Å; E106-S110 PolarHBondContact O-N 3.05Å
107K98.4Very high98.3Very high119 Ų11954 Ų5452%0.51728%0.28SS..Hα-helixtrans-70.4-41.7176.9-67.2-176.1-175.9176.90111.1D102 L103 G104 E105 S110 I111D102-K107 PolarHBondContact O-NZ 3Å; L103-K107 HydrophobicContact CD1-CB 3.75Å; L103-K107 HydrophobicContact CD1-CD 4.3Å; G104-K107 WeakPolarHBondContact O-CB 3.48Å; G104-K107 PolarHBondContact O-N 3.09Å; E105-K107 VanDerWaalsContact C-N 3.29Å; E105-K107 PolarHBondContact O-N 3.39Å; K107-S110 PolarHBondContact O-N 2.86Å; K107-I111 WeakPolarHBondContact O-CB 3.3Å; K107-I111 VanDerWaalsContact O-CG1 3.28Å; K107-I111 WeakPolarHBondContact O-CG1 3.23Å; K107-I111 PolarHBondContact O-N 3.07Å
108V98.8Very high98.3Very high0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-55.7-54.5174.4171.90000109.9T95 L103 G104 E105 S110 I111 I112 H138T95-V108 HydrophobicContact CG2-CB 4.31Å; T95-V108 HydrophobicContact CG2-CG1 4.06Å; T95-V108 HydrophobicContact CG2-CG2 4.25Å; L103-V108 HydrophobicContact CD2-CG2 4Å; L103-V108 HydrophobicContact CG-CG2 3.92Å; G104-V108 PolarHBondContact O-N 3.43Å; G104-V108 VanDerWaalsContact O-N 3.15Å; E105-V108 WeakPolarHBondContact O-CB 3.33Å; E105-V108 PolarHBondContact O-N 3.44Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.05Å; V108-I111 PolarHBondContact O-N 2.75Å; V108-I112 HydrophobicContact CG1-CD1 3.76Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 3.4Å; V108-H138 HydrophobicContact CG2-CB 4.11Å
109I98.8Very high98.3Very high27 Ų2752.3 Ų52.314%0.13827%0.271CS..Hα-helixtrans-58.7-42.5178.4-70.9-60.4000112E105 G113 I150 K153 I154 M157E105-I109 HydrophobicContact CG-CG1 4.29Å; E105-I109 WeakPolarHBondContact O-CG1 3.26Å; E105-I109 PolarHBondContact O-N 3.24Å; I109-G113 PolarHBondContact O-N 3.31Å; I109-I150 HydrophobicContact CD1-CB 4.3Å; I109-I150 HydrophobicContact CD1-CG1 4.26Å; I109-I150 HydrophobicContact CD1-CG2 3.92Å; I109-K153 HydrophobicContact CD1-CB 3.88Å; I109-K153 HydrophobicContact CD1-CD 3.98Å; I109-K153 HydrophobicContact CG1-CD 3.9Å; I109-K153 HydrophobicContact CG2-CD 4.16Å; I109-I154 HydrophobicContact CD1-CD1 4.45Å; I109-I154 HydrophobicContact CD1-CG1 4.08Å; I109-M157 HydrophobicContact CD1-CE 4.16Å; I109-M157 HydrophobicContact CG2-CE 3.69Å
110S98.7Very high98.4Very high65 Ų6549.1 Ų49.146%0.45526%0.26SS..Hα-helixtrans-63.3-42.2177.7-1770000111.9E106 K107 V108 G113 N114E106-S110 VanDerWaalsContact O-CB 3.27Å; E106-S110 WeakPolarHBondContact O-CB 3.15Å; E106-S110 PolarHBondContact O-N 3.05Å; K107-S110 PolarHBondContact O-N 2.86Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.05Å; S110-G113 PolarHBondContact O-N 3.34Å; S110-N114 PolarHBondContact O-N 3.38Å; S110-N114 PolarHBondContact O-ND2 3.06Å
111I98.9Very high98.4Very high5 Ų552.5 Ų52.53%0.02627%0.274CS..Hα-helixtrans-64-51.4179.8-73.4164.9000110.1W31 P33 D94 T95 L103 K107 V108 G113 N114 L115W31-I111 HydrophobicContact CB-CG2 4.46Å; W31-I111 HydrophobicContact CE3-CB 4.32Å; W31-I111 HydrophobicContact CE3-CG1 4.03Å; W31-I111 HydrophobicContact CE3-CG2 4.05Å; W31-I111 HydrophobicContact CZ3-CG1 4.23Å; P33-I111 HydrophobicContact CG-CD1 3.93Å; P33-I111 HydrophobicContact CG-CG1 4.08Å; D94-I111 HydrophobicContact CB-CG2 4.08Å; D94-I111 VanDerWaalsContact O-CG2 3.26Å; D94-I111 WeakPolarHBondContact O-CG2 3.29Å; T95-I111 HydrophobicContact CG2-CB 4.23Å; T95-I111 HydrophobicContact CG2-CD1 4.23Å; T95-I111 HydrophobicContact CG2-CG2 4Å; L103-I111 HydrophobicContact CD1-CD1 3.98Å; K107-I111 WeakPolarHBondContact O-CB 3.3Å; K107-I111 VanDerWaalsContact O-CG1 3.28Å; K107-I111 WeakPolarHBondContact O-CG1 3.23Å; K107-I111 PolarHBondContact O-N 3.07Å; V108-I111 PolarHBondContact O-N 2.75Å; I111-G113 PolarHBondContact O-N 3.14Å; I111-N114 PolarHBondContact O-N 3.13Å; I111-N114 VanDerWaalsContact O-N 3.08Å; I111-L115 HydrophobicContact CG2-CD1 4.38Å; I111-L115 PolarHBondContact O-N 2.89Å
112I98.9Very high98.5Very high0 Ų045.4 Ų45.40%024%0.242CC..Hα-helixtrans-56.8-41.5177.6-61.5167.7000110.4D94 V108 L115 T116 D136 I154 W158D94-I112 HydrophobicContact CB-CG1 4.07Å; D94-I112 WeakPolarHBondContact OD2-CG1 3.49Å; V108-I112 HydrophobicContact CG1-CD1 3.76Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 3.4Å; I112-L115 PolarHBondContact O-N 3.01Å; I112-T116 VanDerWaalsContact O-CB 3.27Å; I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 3.12Å; I112-T116 PolarHBondContact O-OG1 2.88Å; I112-D136 HydrophobicContact CD1-CB 3.87Å; I112-I154 HydrophobicContact CD1-CD1 3.61Å; I112-I154 HydrophobicContact CD1-CG1 4.34Å; I112-I154 HydrophobicContact CG2-CD1 4.41Å; I112-I154 HydrophobicContact CG2-CG1 4.3Å; I112-W158 HydrophobicContact CG2-CZ2 4.45Å
113G98.8Very high98.6Very high20 Ų2041 Ų4121%0.20622%0.218CC..Hα-helixtrans-62-42.4176.300000113.7I109 S110 I111 Q117 M157I109-G113 PolarHBondContact O-N 3.31Å; S110-G113 PolarHBondContact O-N 3.34Å; I111-G113 PolarHBondContact O-N 3.14Å; G113-Q117 VanDerWaalsContact O-CB 3.32Å; G113-Q117 WeakPolarHBondContact O-CB 3.32Å; G113-Q117 PolarHBondContact O-N 2.91Å; G113-M157 WeakPolarHBondContact CA-SD 3.28Å
114N98.9Very high98.6Very high50 Ų5044.3 Ų44.327%0.26724%0.241SC..Hα-helixtrans-66.6-41.2177.2-80.7-84.7000111.8W31 W68 S110 I111 Q117 I118W31-N114 HydrophobicContact CE3-CB 4.31Å; W31-N114 HydrophobicContact CH2-CB 4.41Å; W31-N114 HydrophobicContact CZ3-CB 3.65Å; W68-N114 HydrophobicContact CH2-CB 4.08Å; W68-N114 HydrophobicContact CZ3-CB 4.04Å; S110-N114 PolarHBondContact O-N 3.38Å; S110-N114 PolarHBondContact O-ND2 3.06Å; I111-N114 PolarHBondContact O-N 3.13Å; I111-N114 VanDerWaalsContact O-N 3.08Å; N114-Q117 PolarHBondContact O-N 3.2Å; N114-I118 PolarHBondContact O-N 3.2Å
115L98.9Very high98.5Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-67.8-42.2177.3-63.6-175000111.8L29 W31 W68 I71 W90 D94 I111 I112 Q117 I118 I119L29-L115 HydrophobicContact CB-CD1 3.99Å; L29-L115 HydrophobicContact CD2-CD1 3.96Å; L29-L115 HydrophobicContact CD2-CD2 3.99Å; L29-L115 HydrophobicContact CD2-CG 4.43Å; W31-L115 HydrophobicContact CB-CD2 4.43Å; W68-L115 HydrophobicContact CZ3-CD2 3.92Å; I71-L115 HydrophobicContact CG1-CD2 4.4Å; I71-L115 HydrophobicContact CG2-CD2 3.44Å; I71-L115 VanDerWaalsContact CG2-CD2 3.44Å; W90-L115 HydrophobicContact CH2-CB 3.82Å; W90-L115 HydrophobicContact CZ2-CB 3.77Å; W90-L115 HydrophobicContact CZ2-CD1 4.26Å; D94-L115 HydrophobicContact CB-CD1 3.48Å; D94-L115 VanDerWaalsContact CB-CD1 3.48Å; I111-L115 HydrophobicContact CG2-CD1 4.38Å; I111-L115 PolarHBondContact O-N 2.89Å; I112-L115 PolarHBondContact O-N 3.01Å; L115-Q117 VanDerWaalsContact C-N 3.28Å; L115-Q117 PolarHBondContact O-N 2.94Å; L115-I118 VanDerWaalsContact O-CG2 3.3Å; L115-I118 WeakPolarHBondContact O-CG2 3.48Å; L115-I118 PolarHBondContact O-N 2.85Å; L115-I119 WeakPolarHBondContact O-CD1 3.38Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.29Å; L115-I119 PolarHBondContact O-N 3.02Å; L115-I119 VanDerWaalsContact O-N 3.14Å
116T98.9Very high98.5Very high9 Ų948.4 Ų48.46%0.05526%0.258CS..Hα-helixtrans-56.9-44.4171.9-61.30000110.8I112 T120 W158 W161I112-T116 VanDerWaalsContact O-CB 3.27Å; I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 3.12Å; I112-T116 PolarHBondContact O-OG1 2.88Å; T116-T120 WeakPolarHBondContact O-CB 3.27Å; T116-T120 PolarHBondContact O-N 2.78Å; T116-T120 PolarHBondContact O-OG1 3.37Å; T116-W158 PolarHBondContact OG1-NE1 2.75Å; T116-W158 VanDerWaalsContact OG1-NE1 3.08Å; T116-W161 HydrophobicContact CG2-CH2 3.7Å; T116-W161 HydrophobicContact CG2-CZ2 4.3Å; T116-W161 HydrophobicContact CG2-CZ3 4.05Å
117Q98.7Very high98.5Very high100 Ų10042.2 Ų42.247%0.46723%0.229SC..Hα-helixtrans-63.5-51.9-179.6-179.3177.31.900112.1G113 N114 L115 I119 T120 E121G113-Q117 VanDerWaalsContact O-CB 3.32Å; G113-Q117 WeakPolarHBondContact O-CB 3.32Å; G113-Q117 PolarHBondContact O-N 2.91Å; N114-Q117 PolarHBondContact O-N 3.2Å; L115-Q117 VanDerWaalsContact C-N 3.28Å; L115-Q117 PolarHBondContact O-N 2.94Å; Q117-I119 VanDerWaalsContact C-N 3.31Å; Q117-I119 PolarHBondContact O-N 3.3Å; Q117-T120 PolarHBondContact O-N 2.59Å; Q117-T120 VanDerWaalsContact O-N 3.15Å; Q117-E121 HydrophobicContact CG-CG 4.19Å; Q117-E121 VanDerWaalsContact CG-OE1 3.31Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.02Å; Q117-E121 WeakPolarHBondContact O-CB 3.25Å; Q117-E121 WeakPolarHBondContact O-CG 3.44Å; Q117-E121 PolarHBondContact O-N 3.14Å
118I98.8Very high98.5Very high7 Ų736.6 Ų36.64%0.03620%0.204CC..Hα-helixtrans-63.5-37.4-178.1-171.7170.7000112.1W68 I71 N72 V75 N114 L115 E121 V122W68-I118 HydrophobicContact CH2-CB 4.09Å; W68-I118 HydrophobicContact CH2-CD1 4.27Å; W68-I118 HydrophobicContact CH2-CG2 3.95Å; W68-I118 HydrophobicContact CZ2-CB 4.24Å; W68-I118 HydrophobicContact CZ2-CD1 3.82Å; W68-I118 HydrophobicContact CZ2-CG2 4.5Å; I71-I118 HydrophobicContact CG2-CG2 4.49Å; N72-I118 HydrophobicContact CB-CD1 3.95Å; N72-I118 WeakPolarHBondContact OD1-CD1 3.36Å; V75-I118 HydrophobicContact CG1-CG1 4.4Å; V75-I118 HydrophobicContact CG2-CG2 4.43Å; N114-I118 PolarHBondContact O-N 3.2Å; L115-I118 VanDerWaalsContact O-CG2 3.3Å; L115-I118 WeakPolarHBondContact O-CG2 3.48Å; L115-I118 PolarHBondContact O-N 2.85Å; I118-E121 PolarHBondContact O-N 3.47Å; I118-V122 HydrophobicContact CG1-CG2 4.33Å; I118-V122 WeakPolarHBondContact O-CB 3.32Å; I118-V122 WeakPolarHBondContact O-CG2 3.17Å; I118-V122 PolarHBondContact O-N 3.38Å; I118-V122 VanDerWaalsContact O-N 3.09Å
119I98.8Very high98.5Very high1 Ų136.6 Ų36.61%0.00520%0.204CC..Hα-helixtrans-62.6-46.4174.6-66.9167000109.9I26 V75 I88 W90 L115 Q117 V122 F123 V128 W161I26-I119 HydrophobicContact CD1-CD1 4.01Å; V75-I119 HydrophobicContact CG2-CG1 4.43Å; I88-I119 HydrophobicContact CD1-CG2 4.38Å; W90-I119 HydrophobicContact CD2-CD1 3.85Å; W90-I119 HydrophobicContact CE3-CD1 3.74Å; W90-I119 HydrophobicContact CG-CD1 4.47Å; W90-I119 HydrophobicContact CH2-CD1 4.16Å; W90-I119 HydrophobicContact CZ2-CD1 4.21Å; W90-I119 HydrophobicContact CZ3-CD1 3.93Å; L115-I119 WeakPolarHBondContact O-CD1 3.38Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.29Å; L115-I119 PolarHBondContact O-N 3.02Å; L115-I119 VanDerWaalsContact O-N 3.14Å; Q117-I119 VanDerWaalsContact C-N 3.31Å; Q117-I119 PolarHBondContact O-N 3.3Å; I119-V122 PolarHBondContact O-N 3.05Å; I119-F123 WeakPolarHBondContact O-CB 3.35Å; I119-F123 PolarHBondContact O-N 2.96Å; I119-V128 HydrophobicContact CG2-CG2 3.92Å; I119-W161 HydrophobicContact CG2-CH2 4.43Å; I119-W161 HydrophobicContact CG2-CZ2 4.36Å
120T98.4Very high98.5Very high57 Ų5735.3 Ų35.335%0.3520%0.198SC..Hα-helixtrans-65.3-39.1179.2-55.80000112.4T116 Q117 F123 P124 W161T116-T120 WeakPolarHBondContact O-CB 3.27Å; T116-T120 PolarHBondContact O-N 2.78Å; T116-T120 PolarHBondContact O-OG1 3.37Å; Q117-T120 PolarHBondContact O-N 2.59Å; Q117-T120 VanDerWaalsContact O-N 3.15Å; T120-F123 CarbonylContact O-C 3.42Å; T120-P124 WeakPolarHBondContact O-CA 3.47Å; T120-P124 VanDerWaalsContact O-N 3.12Å; T120-W161 WeakPolarHBondContact OG1-CZ2 3.13Å
121E98.5Very high98.5Very high118 Ų11832.2 Ų32.255%0.55118%0.176SC*.Hα-helixtrans-67.1-39.2179-76.2178.5-179.500112.2Q117 I118Q117-E121 HydrophobicContact CG-CG 4.19Å; Q117-E121 VanDerWaalsContact CG-OE1 3.31Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.02Å; Q117-E121 WeakPolarHBondContact O-CB 3.25Å; Q117-E121 WeakPolarHBondContact O-CG 3.44Å; Q117-E121 PolarHBondContact O-N 3.14Å; I118-E121 PolarHBondContact O-N 3.47Å
122V98.8Very high98.5Very high11 Ų1132 Ų327%0.06718%0.175CC..Hα-helixtrans-82.1-31.5-178.4178.10000111.9V75 Y76 K79 I118 I119 P124V75-V122 HydrophobicContact CG1-CB 3.72Å; V75-V122 HydrophobicContact CG1-CG1 3.93Å; V75-V122 HydrophobicContact CG1-CG2 3.81Å; Y76-V122 HydrophobicContact CD2-CG2 4.29Å; Y76-V122 HydrophobicContact CE1-CG2 4.24Å; Y76-V122 HydrophobicContact CE2-CG2 3.88Å; K79-V122 HydrophobicContact CB-CG1 3.52Å; K79-V122 HydrophobicContact CD-CG1 4.01Å; K79-V122 WeakPolarHBondContact CD-O 3.38Å; K79-V122 HydrophobicContact CG-CG1 3.86Å; I118-V122 HydrophobicContact CG1-CG2 4.33Å; I118-V122 WeakPolarHBondContact O-CB 3.32Å; I118-V122 WeakPolarHBondContact O-CG2 3.17Å; I118-V122 PolarHBondContact O-N 3.38Å; I118-V122 VanDerWaalsContact O-N 3.09Å; I119-V122 PolarHBondContact O-N 3.05Å; V122-P124 VanDerWaalsContact C-CD 3.44Å; V122-P124 WeakPolarHBondContact O-CD 3.4Å
123F98.6Very high98.5Very high4 Ų432 Ų322%0.01818%0.175CC..  trans-125.264.2179.8-63.2-84.1000112.1V75 M78 K79 P85 I88 I119 T120 D125 T126V75-F123 HydrophobicContact CG1-CD2 4.4Å; V75-F123 HydrophobicContact CG1-CE2 4.11Å; M78-F123 HydrophobicContact CB-CE2 4.02Å; M78-F123 HydrophobicContact CB-CZ 3.72Å; M78-F123 HydrophobicContact CE-CE2 4.06Å; M78-F123 HydrophobicContact CE-CZ 4.38Å; K79-F123 HydrophobicContact CB-CE1 4.41Å; K79-F123 HydrophobicContact CB-CE2 4.47Å; K79-F123 HydrophobicContact CB-CZ 3.96Å; K79-F123 HydrophobicContact CD-CD1 4.2Å; K79-F123 HydrophobicContact CD-CE1 3.83Å; K79-F123 HydrophobicContact CD-CZ 4.2Å; P85-F123 HydrophobicContact CG-CD1 4.17Å; P85-F123 HydrophobicContact CG-CE1 4.1Å; I88-F123 HydrophobicContact CD1-CB 4.02Å; I88-F123 HydrophobicContact CD1-CD1 4.21Å; I88-F123 HydrophobicContact CD1-CD2 3.78Å; I88-F123 HydrophobicContact CD1-CE2 4.25Å; I88-F123 HydrophobicContact CD1-CG 3.75Å; I119-F123 WeakPolarHBondContact O-CB 3.35Å; I119-F123 PolarHBondContact O-N 2.96Å; T120-F123 CarbonylContact O-C 3.42Å; F123-D125 VanDerWaalsContact C-N 3.26Å; F123-D125 PolarHBondContact O-N 2.84Å; F123-T126 PolarHBondContact O-N 3.5Å
124P97.6Very high98.5Very high84 Ų8431.2 Ų31.255%0.54517%0.166SC..THydrogen-bonded Turntrans-66.2-26.7-172.126.6-36000114T120 V122T120-P124 WeakPolarHBondContact O-CA 3.47Å; T120-P124 VanDerWaalsContact O-N 3.12Å; V122-P124 VanDerWaalsContact C-CD 3.44Å; V122-P124 WeakPolarHBondContact O-CD 3.4Å
125D96.3Very high98.5Very high160 Ų16029.4 Ų29.486%0.85616%0.156SC*.THydrogen-bonded Turntrans-102.56.2-175.9-57.3-56.1000113.1F123F123-D125 VanDerWaalsContact C-N 3.26Å; F123-D125 PolarHBondContact O-N 2.84Å
126T97.9Very high98.5Very high16 Ų1629.5 Ų29.510%0.09816%0.156CC..  trans-105.7127.1-174.7-54.30000111P85 I88 F123P85-T126 HydrophobicContact CG-CG2 3.83Å; I88-T126 HydrophobicContact CD1-CG2 4.06Å; I88-T126 HydrophobicContact CG1-CG2 3.85Å; F123-T126 PolarHBondContact O-N 3.5Å
127K97.6Very high98.5Very high33 Ų3330.3 Ų30.314%0.14316%0.159CC..  trans-70.6131.6173.5-167.3159-178.1169.20110F87 I88 Y129 W161 E163 E178 N182F87-K127 WeakPolarHBondContact CA-O 3.22Å; F87-K127 WeakPolarHBondContact CB-O 3.39Å; I88-K127 PolarHBondContact N-O 2.97Å; K127-Y129 HydrophobicContact CD-CE1 4.03Å; K127-Y129 HydrophobicContact CG-CE1 4.09Å; K127-W161 VanDerWaalsContact CE-O 3.25Å; K127-W161 WeakPolarHBondContact CE-O 3.34Å; K127-E163 IonicContact NZ-OE1 3.37Å; K127-E178 IonicContact NZ-OE2 3.14Å; K127-E178 PolarHBondContact NZ-OE2 3.28Å; K127-N182 PolarHBondContact NZ-OD1 3.35Å
128V98.6Very high98.4Very high1 Ų128.2 Ų28.21%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-108.7128176.2-173.20000109I88 W90 I119 W161I88-V128 HydrophobicContact CB-CG1 4.29Å; I88-V128 HydrophobicContact CB-CG2 4.21Å; I88-V128 HydrophobicContact CD1-CG2 4.44Å; I88-V128 HydrophobicContact CG2-CG1 4.27Å; I88-V128 CarbonylContact O-C 3.53Å; I88-V128 WeakPolarHBondContact O-CA 3.41Å; W90-V128 HydrophobicContact CB-CG1 4.04Å; W90-V128 HydrophobicContact CE3-CG1 4.46Å; I119-V128 HydrophobicContact CG2-CG2 3.92Å; V128-W161 HydrophobicContact CB-CD2 3.67Å; V128-W161 HydrophobicContact CB-CE3 3.86Å; V128-W161 HydrophobicContact CB-CG 4.17Å; V128-W161 HydrophobicContact CB-CH2 4.05Å; V128-W161 HydrophobicContact CB-CZ2 3.89Å; V128-W161 HydrophobicContact CB-CZ3 4.04Å; V128-W161 HydrophobicContact CG1-CE3 4.26Å; V128-W161 HydrophobicContact CG1-CH2 4.2Å; V128-W161 HydrophobicContact CG1-CZ3 4.07Å; V128-W161 HydrophobicContact CG2-CD2 4.13Å; V128-W161 HydrophobicContact CG2-CH2 4.03Å; V128-W161 HydrophobicContact CG2-CZ2 3.53Å; V128-W161 WeakPolarHBondContact O-CB 3.33Å
129Y98.8Very high98.4Very high0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-102.2102.9170.1-55.4-71.9000108.1F87 I88 W90 K127 E178 K179 L180 L181 V188F87-Y129 HydrophobicContact CB-CD2 4.08Å; F87-Y129 HydrophobicContact CB-CE2 3.69Å; F87-Y129 AromaticContact CD2-CD2 3.75Å; F87-Y129 HydrophobicContact CD2-CD2 3.75Å; F87-Y129 AromaticContact CD2-CE2 3.89Å; F87-Y129 HydrophobicContact CD2-CE2 3.89Å; F87-Y129 HydrophobicContact CG-CD2 4.12Å; F87-Y129 AromaticContact CG-CE2 3.81Å; F87-Y129 HydrophobicContact CG-CE2 3.81Å; I88-Y129 PolarHBondContact O-N 3.34Å; W90-Y129 PolarHBondContact N-O 2.76Å; K127-Y129 HydrophobicContact CD-CE1 4.03Å; K127-Y129 HydrophobicContact CG-CE1 4.09Å; Y129-E178 HydrophobicContact CD1-CB 4.01Å; Y129-E178 HydrophobicContact CD1-CG 4.22Å; Y129-E178 HydrophobicContact CE1-CB 3.53Å; Y129-E178 HydrophobicContact CE1-CG 3.99Å; Y129-K179 PolarHBondContact OH-O 3.1Å; Y129-K179 VanDerWaalsContact OH-O 3.11Å; Y129-L180 HydrophobicContact CD2-CD1 4.23Å; Y129-L180 HydrophobicContact CE2-CD1 3.49Å; Y129-L180 VanDerWaalsContact CE2-CD1 3.49Å; Y129-L180 WeakPolarHBondContact OH-CA 3.45Å; Y129-L181 PolarHBondContact OH-N 2.89Å; Y129-L181 VanDerWaalsContact OH-N 3.08Å; Y129-V188 HydrophobicContact CD1-CG1 3.39Å; Y129-V188 HydrophobicContact CD2-CG1 4.29Å; Y129-V188 HydrophobicContact CE1-CG1 3.51Å; Y129-V188 HydrophobicContact CE2-CG1 4.4Å; Y129-V188 HydrophobicContact CG-CG1 3.78Å
130S98.6Very high98.4Very high0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-108.8133.2-171.5-166.60000113W90 W158 Y176 V190W90-S130 VanDerWaalsContact CE3-OG 3.25Å; W90-S130 CarbonylContact O-C 3.56Å; W90-S130 WeakPolarHBondContact O-CA 3.25Å; W90-S130 PolarHBondContact O-OG 2.93Å; S130-W158 WeakPolarHBondContact O-CZ3 3.23Å; S130-W158 WeakPolarHBondContact OG-CH2 3.45Å; S130-W158 VanDerWaalsContact OG-CZ2 3.25Å; S130-W158 WeakPolarHBondContact OG-CZ2 3.3Å; S130-Y176 PolarHBondContact N-OH 2.73Å; S130-Y176 VanDerWaalsContact O-CE1 3.32Å; S130-Y176 WeakPolarHBondContact O-CE1 3.27Å; S130-Y176 PolarHBondContact O-OH 2.71Å; S130-V190 WeakPolarHBondContact O-CG1 3.21Å
131A98.9Very high98.4Very high0 Ų030.5 Ų30.50%016%0.159CC..  trans-107.9151.5170.800000110.4W90 T91 G92 V190W90-A131 PolarHBondContact O-N 3.32Å; T91-A131 CarbonylContact C-O 3.55Å; T91-A131 HydrophobicContact CG2-CB 4.5Å; G92-A131 VanDerWaalsContact CA-O 3.25Å; G92-A131 WeakPolarHBondContact CA-O 3.29Å; G92-A131 PolarHBondContact N-O 3.38Å; G92-A131 VanDerWaalsContact N-O 3.17Å; A131-V190 HydrophobicContact CB-CG1 3.59Å
132L98.9Very high98.4Very high0 Ų026.6 Ų26.60%014%0.141CC..  trans-78.8139.6170.9-65.7173.1000110.7D136 L143 Y151 I154 W158 F170 N194 H235L132-D136 HydrophobicContact CD2-CB 3.99Å; L132-L143 HydrophobicContact CB-CD2 4.33Å; L132-L143 HydrophobicContact CD1-CD2 4.22Å; L132-Y151 HydrophobicContact CD1-CD1 3.87Å; L132-Y151 HydrophobicContact CD1-CE1 3.66Å; L132-I154 HydrophobicContact CD2-CD1 3.53Å; L132-I154 HydrophobicContact CD2-CG2 4.34Å; L132-W158 HydrophobicContact CD2-CH2 3.96Å; L132-W158 HydrophobicContact CG-CH2 4.5Å; L132-F170 HydrophobicContact CD1-CE2 4.27Å; L132-F170 HydrophobicContact CD1-CZ 3.85Å; L132-F170 HydrophobicContact CD2-CZ 4.24Å; L132-F170 HydrophobicContact CG-CE2 4.22Å; L132-F170 HydrophobicContact CG-CZ 3.98Å; L132-N194 PolarHBondContact O-ND2 2.91Å; L132-H235 VanDerWaalsContact O-CB 3.23Å; L132-H235 WeakPolarHBondContact O-CB 3.49Å
133G98.9Very high98.4Very high0 Ų026 Ų260%014%0.138CC..  trans-91.8172.7164.500000113.7D93 H135 D136 N194 H235D93-G133 WeakPolarHBondContact OD1-CA 3.46Å; G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 2.86Å; G133-D136 WeakPolarHBondContact CA-OD2 3.32Å; G133-D136 PolarHBondContact N-OD2 2.9Å; G133-D136 PolarHBondContact O-N 2.83Å; G133-N194 VanDerWaalsContact C-OD1 3.25Å; G133-H235 WeakPolarHBondContact CA-CD2 3.34Å
134N98.9Very high98.4Very high4 Ų427 Ų272%0.02114%0.144CC..THydrogen-bonded Turntrans-74.1-19-177.660.9-89000112.7D93 D136 S141 N194 Y197 H235 I236 H276D93-N134 PolarHBondContact OD1-N 2.86Å; N134-D136 VanDerWaalsContact C-N 3.34Å; N134-S141 PolarHBondContact ND2-OG 3.02Å; N134-S141 PolarHBondContact O-N 3.39Å; N134-N194 WeakPolarHBondContact CA-OD1 3.42Å; N134-N194 PolarHBondContact N-OD1 3.08Å; N134-Y197 HydrophobicContact CB-CD1 4.38Å; N134-H235 PolarHBondContact OD1-CD2 2.89Å; N134-H235 PolarHBondContact OD1-NE2 3.06Å; N134-I236 HydrophobicContact CB-CD1 4.12Å; N134-H276 PolarHBondContact OD1-CE1 2.77Å; N134-H276 PolarHBondContact OD1-ND1 3.41Å
135H98.8Very high98.4Very high12 Ų1225 Ų256%0.05613%0.131CC..THydrogen-bonded Turntrans-82.7-8.6171.5-82.2-106.1000113.4H30 D93 T95 H97 G133 Y137H30-H135 AromaticContact CE1-CD2 3.94Å; H30-H135 AromaticContact CE1-CG 3.86Å; D93-H135 WeakPolarHBondContact OD1-CB 3.4Å; D93-H135 PolarHBondContact OD1-N 3.08Å; D93-H135 IonicContact OD2-CD2 3.49Å; D93-H135 PolarHBondContact OD2-CD2 3.32Å; D93-H135 IonicContact OD2-CG 2.6Å; T95-H135 WeakPolarHBondContact CG2-O 3.42Å; T95-H135 PolarHBondContact OG1-O 2.88Å; H97-H135 AromaticContact CD2-CE1 3.51Å; H97-H135 AromaticContact CD2-NE2 3.7Å; H97-H135 AromaticContact NE2-CE1 3.89Å; H97-H135 AromaticContact NE2-NE2 3.76Å; G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 2.86Å; H135-Y137 PolarHBondContact O-N 3.33Å; H135-Y137 VanDerWaalsContact O-N 3.08Å
136D98.8Very high98.4Very high2 Ų218.1 Ų18.11%0.01110%0.098CC..SBendtrans-87.229.9-176.5-57.8-24.6000112.8G92 D93 D94 I112 L132 G133 N134G92-D136 WeakPolarHBondContact CA-OD2 3.2Å; D93-D136 PolarHBondContact N-OD2 2.7Å; D94-D136 VanDerWaalsContact CB-OD1 3.26Å; D94-D136 WeakPolarHBondContact CB-OD1 3.26Å; D94-D136 PolarHBondContact N-OD1 3.33Å; I112-D136 HydrophobicContact CD1-CB 3.87Å; L132-D136 HydrophobicContact CD2-CB 3.99Å; G133-D136 WeakPolarHBondContact CA-OD2 3.32Å; G133-D136 PolarHBondContact N-OD2 2.9Å; G133-D136 PolarHBondContact O-N 2.83Å; N134-D136 VanDerWaalsContact C-N 3.34Å
137Y98.7Very high98.4Very high26 Ų2621.7 Ų21.710%0.10212%0.122CC..SBendtrans-149.4155.9-178.8-155.9-94.1000111.2H135 P139 K140 Q142 L143 P144 N148 I150 Y151H135-Y137 PolarHBondContact O-N 3.33Å; H135-Y137 VanDerWaalsContact O-N 3.08Å; Y137-P139 CarbonylContact O-C 3.46Å; Y137-K140 WeakPolarHBondContact O-CA 3.49Å; Y137-K140 PolarHBondContact O-N 2.97Å; Y137-Q142 WeakPolarHBondContact CD1-O 3.43Å; Y137-Q142 WeakPolarHBondContact CE1-O 3.46Å; Y137-L143 HydrophobicContact CD2-CG 3.96Å; Y137-L143 HydrophobicContact CG-CD1 4.09Å; Y137-L143 HydrophobicContact CG-CG 3.83Å; Y137-P144 HydrophobicContact CE2-CG 4.45Å; Y137-P144 VanDerWaalsContact OH-CD 3.32Å; Y137-P144 WeakPolarHBondContact OH-CD 3.46Å; Y137-P144 WeakPolarHBondContact OH-CG 3.41Å; Y137-N148 WeakPolarHBondContact CE2-OD1 2.96Å; Y137-I150 HydrophobicContact CD1-CD1 4.34Å; Y137-I150 HydrophobicContact CD2-CB 4Å; Y137-I150 HydrophobicContact CD2-CD1 3.66Å; Y137-I150 HydrophobicContact CD2-CG1 4.39Å; Y137-I150 HydrophobicContact CD2-CG2 3.84Å; Y137-I150 HydrophobicContact CE1-CD1 4.32Å; Y137-I150 HydrophobicContact CE2-CB 3.73Å; Y137-I150 HydrophobicContact CE2-CD1 3.68Å; Y137-I150 HydrophobicContact CE2-CG1 4.13Å; Y137-I150 HydrophobicContact CE2-CG2 4.09Å; Y137-I150 HydrophobicContact CG-CD1 4Å; Y137-Y151 HydrophobicContact CD2-CE1 4.07Å; Y137-Y151 HydrophobicContact CE2-CD1 4.4Å; Y137-Y151 AromaticContact CE2-CE1 3.95Å; Y137-Y151 HydrophobicContact CE2-CE1 3.95Å
138H98.4Very high98.5Very high56 Ų5621.1 Ų21.126%0.25912%0.12SC..SBendtrans-125.3126172.917880.5000111.2N100 L103 E105 V108N100-H138 PolarHBondContact O-CE1 3.42Å; L103-H138 PolarHBondContact O-CE1 3.36Å; L103-H138 PolarHBondContact O-ND1 2.96Å; E105-H138 HydrophobicContact CB-CB 4.23Å; V108-H138 HydrophobicContact CG2-CB 4.11Å
139P98.4Very high98.4Very high55 Ų5523.4 Ų23.436%0.35714%0.137SC..SBendcis-64.9151.7-8.9-20.434.2000112.3Y137 Q142Y137-P139 CarbonylContact O-C 3.46Å; P139-Q142 HydrophobicContact CB-CG 4.22Å; P139-Q142 PolarHBondContact O-N 2.68Å
140K98.2Very high98.4Very high56 Ų5623.4 Ų23.424%0.24314%0.137CC..THydrogen-bonded Turntrans-57.2146-177.571.2-174.1175.4-172.30112.3V98 N100 Y137 Q142V98-K140 PolarHBondContact O-NZ 3.25Å; N100-K140 PolarHBondContact OD1-N 2.94Å; Y137-K140 WeakPolarHBondContact O-CA 3.49Å; Y137-K140 PolarHBondContact O-N 2.97Å; K140-Q142 PolarHBondContact O-N 3.29Å; K140-Q142 VanDerWaalsContact O-N 3.1Å; K140-Q142 PolarHBondContact O-NE2 2.85Å
141S98.3Very high98.4Very high2 Ų223.4 Ų23.41%0.01414%0.137CC..THydrogen-bonded Turntrans65.9-3.8-178.2-50.10000116N134 L143 N200N134-S141 PolarHBondContact ND2-OG 3.02Å; N134-S141 PolarHBondContact O-N 3.39Å; S141-L143 VanDerWaalsContact C-N 3.35Å; S141-L143 PolarHBondContact O-N 3.38Å; S141-N200 VanDerWaalsContact O-CA 3.31Å; S141-N200 WeakPolarHBondContact O-CA 3.13Å; S141-N200 WeakPolarHBondContact O-CB 3.48Å
142Q98.6Very high98.4Very high36 Ų3626.6 Ų26.617%0.16815%0.154CC..  trans-97.249-178.2-51.1-47.4-72.900111.9Y137 P139 K140 P144 Q199 E202Y137-Q142 WeakPolarHBondContact CD1-O 3.43Å; Y137-Q142 WeakPolarHBondContact CE1-O 3.46Å; P139-Q142 HydrophobicContact CB-CG 4.22Å; P139-Q142 PolarHBondContact O-N 2.68Å; K140-Q142 PolarHBondContact O-N 3.29Å; K140-Q142 VanDerWaalsContact O-N 3.1Å; K140-Q142 PolarHBondContact O-NE2 2.85Å; Q142-P144 WeakPolarHBondContact O-CD 3.48Å; Q142-Q199 PolarHBondContact NE2-O 2.81Å; Q142-E202 HydrophobicContact CB-CG 4.24Å
143L98.5Very high98.4Very high0 Ų030.5 Ų30.50%017%0.171CC..  trans-71.1120-179.7-80.184.1000109.6L132 Y137 S141 Y151 N194 L195 N200L132-L143 HydrophobicContact CB-CD2 4.33Å; L132-L143 HydrophobicContact CD1-CD2 4.22Å; Y137-L143 HydrophobicContact CD2-CG 3.96Å; Y137-L143 HydrophobicContact CG-CD1 4.09Å; Y137-L143 HydrophobicContact CG-CG 3.83Å; S141-L143 VanDerWaalsContact C-N 3.35Å; S141-L143 PolarHBondContact O-N 3.38Å; L143-Y151 WeakPolarHBondContact CB-OH 3.44Å; L143-Y151 HydrophobicContact CD2-CE1 4.22Å; L143-N194 HydrophobicContact CB-CB 4.25Å; L143-N194 HydrophobicContact CD1-CB 3.89Å; L143-N194 HydrophobicContact CD2-CB 3.84Å; L143-N194 HydrophobicContact CG-CB 4.19Å; L143-L195 HydrophobicContact CB-CD2 4.44Å; L143-L195 WeakPolarHBondContact O-CD2 3.08Å; L143-N200 PolarHBondContact O-ND2 3.48Å
144P98.1Very high98.4Very high23 Ų2330.5 Ų30.515%0.14917%0.171CC..  trans-80.1151.4-173.532.4-36.4000112.2Y137 Q142 G146 N148 Y151Y137-P144 HydrophobicContact CE2-CG 4.45Å; Y137-P144 VanDerWaalsContact OH-CD 3.32Å; Y137-P144 WeakPolarHBondContact OH-CD 3.46Å; Y137-P144 WeakPolarHBondContact OH-CG 3.41Å; Q142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-G146 PolarHBondContact O-N 2.71Å; P144-N148 HydrophobicContact CG-CB 4.2Å; P144-N148 WeakPolarHBondContact CG-ND2 3.09Å; P144-Y151 PolarHBondContact O-OH 3.01Å
145P97.8Very high98.3Very high42 Ų4230.3 Ų30.327%0.27317%0.17SC..SBendtrans-80.347.6177.934.5-36.2000112.7T203 P209 A210P145-T203 HydrophobicContact CB-CG2 4.15Å; P145-T203 HydrophobicContact CG-CG2 4.15Å; P145-P209 HydrophobicContact CB-CB 3.85Å; P145-A210 HydrophobicContact CB-CB 4.22Å
146G97.4Very high98.3Very high16 Ų1634 Ų3417%0.16519%0.187CC..SBendtrans-177.3177.8-177.500000114.9P144 N148 N172P144-G146 PolarHBondContact O-N 2.71Å; G146-N148 PolarHBondContact O-ND2 2.93Å; G146-N148 VanDerWaalsContact O-ND2 3.12Å; G146-N172 CarbonylContact C-O 3.56Å; G146-N172 VanDerWaalsContact CA-O 3.25Å; G146-N172 WeakPolarHBondContact CA-O 3.49Å
147P98.2Very high98.3Very high92 Ų9236.4 Ų36.460%0.59720%0.199SC*.  trans-56.8138.8179.2-22.430.8000113.8K171P147-K171 VanDerWaalsContact CA-O 3.29Å; P147-K171 WeakPolarHBondContact CA-O 3.25Å
148N98.3Very high98.3Very high20 Ų2035.3 Ų35.311%0.10720%0.195CC..  trans-157.2167.217864.677.7000111.7Y137 P144 G146 I150 Y151 D152Y137-N148 WeakPolarHBondContact CE2-OD1 2.96Å; P144-N148 HydrophobicContact CG-CB 4.2Å; P144-N148 WeakPolarHBondContact CG-ND2 3.09Å; G146-N148 PolarHBondContact O-ND2 2.93Å; G146-N148 VanDerWaalsContact O-ND2 3.12Å; N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 2.71Å; N148-I150 WeakPolarHBondContact OD1-CA 3.45Å; N148-I150 WeakPolarHBondContact OD1-CB 3.48Å; N148-I150 PolarHBondContact OD1-N 2.79Å; N148-Y151 WeakPolarHBondContact ND2-CD1 3.41Å; N148-Y151 WeakPolarHBondContact ND2-CD2 3.16Å; N148-Y151 WeakPolarHBondContact ND2-CE2 3.31Å; N148-Y151 PolarHBondContact O-N 3.37Å; N148-Y151 PolarHBondContact OD1-N 2.89Å; N148-D152 PolarHBondContact O-N 3.5Å
149S97.7Very high98.1Very high50 Ų5038.6 Ų38.635%0.3521%0.21SC..Hα-helixtrans-61.5-34.1-176.954.90000113.8E105 K153E105-S149 PolarHBondContact OE1-OG 3.09Å; E105-S149 PolarHBondContact OE2-OG 2.91Å; S149-K153 WeakPolarHBondContact O-CB 3.07Å; S149-K153 WeakPolarHBondContact O-CD 3.12Å; S149-K153 WeakPolarHBondContact O-CG 3.38Å; S149-K153 PolarHBondContact O-N 3.19Å
150I98.4Very high97.9Very high0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-71.6-46.8-179-66.2179.3000109.8E105 I109 Y137 N148 D152 K153 I154E105-I150 HydrophobicContact CG-CD1 3.86Å; E105-I150 HydrophobicContact CG-CG1 3.77Å; I109-I150 HydrophobicContact CD1-CB 4.3Å; I109-I150 HydrophobicContact CD1-CG1 4.26Å; I109-I150 HydrophobicContact CD1-CG2 3.92Å; Y137-I150 HydrophobicContact CD1-CD1 4.34Å; Y137-I150 HydrophobicContact CD2-CB 4Å; Y137-I150 HydrophobicContact CD2-CD1 3.66Å; Y137-I150 HydrophobicContact CD2-CG1 4.39Å; Y137-I150 HydrophobicContact CD2-CG2 3.84Å; Y137-I150 HydrophobicContact CE1-CD1 4.32Å; Y137-I150 HydrophobicContact CE2-CB 3.73Å; Y137-I150 HydrophobicContact CE2-CD1 3.68Å; Y137-I150 HydrophobicContact CE2-CG1 4.13Å; Y137-I150 HydrophobicContact CE2-CG2 4.09Å; Y137-I150 HydrophobicContact CG-CD1 4Å; N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 2.71Å; N148-I150 WeakPolarHBondContact OD1-CA 3.45Å; N148-I150 WeakPolarHBondContact OD1-CB 3.48Å; N148-I150 PolarHBondContact OD1-N 2.79Å; I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 3.03Å; I150-K153 PolarHBondContact O-N 2.84Å; I150-I154 HydrophobicContact CG2-CD1 3.62Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 WeakPolarHBondContact O-CB 3.47Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.42Å; I150-I154 PolarHBondContact O-N 3.27Å
151Y98.8Very high97.9Very high0 Ų037.3 Ų37.30%022%0.216CC..Hα-helixtrans-61.1-41176.4-65.3-0.3000111L132 Y137 L143 P144 N148 I154 A155 F170 N192L132-Y151 HydrophobicContact CD1-CD1 3.87Å; L132-Y151 HydrophobicContact CD1-CE1 3.66Å; Y137-Y151 HydrophobicContact CD2-CE1 4.07Å; Y137-Y151 HydrophobicContact CE2-CD1 4.4Å; Y137-Y151 AromaticContact CE2-CE1 3.95Å; Y137-Y151 HydrophobicContact CE2-CE1 3.95Å; L143-Y151 WeakPolarHBondContact CB-OH 3.44Å; L143-Y151 HydrophobicContact CD2-CE1 4.22Å; P144-Y151 PolarHBondContact O-OH 3.01Å; N148-Y151 WeakPolarHBondContact ND2-CD1 3.41Å; N148-Y151 WeakPolarHBondContact ND2-CD2 3.16Å; N148-Y151 WeakPolarHBondContact ND2-CE2 3.31Å; N148-Y151 PolarHBondContact O-N 3.37Å; N148-Y151 PolarHBondContact OD1-N 2.89Å; Y151-I154 PolarHBondContact O-N 3.32Å; Y151-A155 WeakPolarHBondContact O-CB 3.43Å; Y151-A155 PolarHBondContact O-N 2.89Å; Y151-F170 WeakPolarHBondContact O-CE1 3.25Å; Y151-N192 PolarHBondContact OH-ND2 3.33Å; Y151-N192 VanDerWaalsContact OH-ND2 3.12Å
152D98.4Very high97.9Very high66 Ų6637.9 Ų37.935%0.35322%0.218SC..Hα-helixtrans-59.7-51.3175.1-81.6-35000112.2N148 I150 I154 A155 E156 K171N148-D152 PolarHBondContact O-N 3.5Å; I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 3.03Å; D152-I154 PolarHBondContact O-N 3.12Å; D152-A155 WeakPolarHBondContact O-CB 3.26Å; D152-A155 PolarHBondContact O-N 3.02Å; D152-E156 WeakPolarHBondContact O-CG 3.22Å; D152-E156 PolarHBondContact O-N 3.27Å; D152-K171 WeakPolarHBondContact OD1-CD 3.38Å; D152-K171 WeakPolarHBondContact OD1-CE 3.32Å; D152-K171 WeakPolarHBondContact OD1-CG 3.46Å; D152-K171 IonicContact OD1-NZ 2.81Å
153K98.6Very high97.7Very high83 Ų8341.1 Ų41.136%0.36123%0.233SC..Hα-helixtrans-62.7-41.4-179-72.9167.5-176.5172.70112E105 I109 S149 I150 E156 M157E105-K153 IonicContact OE1-NZ 2.7Å; E105-K153 PolarHBondContact OE1-NZ 3.24Å; I109-K153 HydrophobicContact CD1-CB 3.88Å; I109-K153 HydrophobicContact CD1-CD 3.98Å; I109-K153 HydrophobicContact CG1-CD 3.9Å; I109-K153 HydrophobicContact CG2-CD 4.16Å; S149-K153 WeakPolarHBondContact O-CB 3.07Å; S149-K153 WeakPolarHBondContact O-CD 3.12Å; S149-K153 WeakPolarHBondContact O-CG 3.38Å; S149-K153 PolarHBondContact O-N 3.19Å; I150-K153 PolarHBondContact O-N 2.84Å; K153-E156 PolarHBondContact O-N 2.6Å; K153-M157 HydrophobicContact CB-CE 4.19Å; K153-M157 WeakPolarHBondContact O-CG 3.21Å; K153-M157 PolarHBondContact O-N 3.25Å
154I98.6Very high97.7Very high0 Ų044.8 Ų44.80%026%0.264CS..Hα-helixtrans-69.8-39.6179-64.4172.8000110.7I109 I112 L132 I150 Y151 D152 E156 M157 W158 F170I109-I154 HydrophobicContact CD1-CD1 4.45Å; I109-I154 HydrophobicContact CD1-CG1 4.08Å; I112-I154 HydrophobicContact CD1-CD1 3.61Å; I112-I154 HydrophobicContact CD1-CG1 4.34Å; I112-I154 HydrophobicContact CG2-CD1 4.41Å; I112-I154 HydrophobicContact CG2-CG1 4.3Å; L132-I154 HydrophobicContact CD2-CD1 3.53Å; L132-I154 HydrophobicContact CD2-CG2 4.34Å; I150-I154 HydrophobicContact CG2-CD1 3.62Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 WeakPolarHBondContact O-CB 3.47Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.42Å; I150-I154 PolarHBondContact O-N 3.27Å; Y151-I154 PolarHBondContact O-N 3.32Å; D152-I154 PolarHBondContact O-N 3.12Å; I154-E156 PolarHBondContact O-N 3.32Å; I154-M157 HydrophobicContact CG1-CE 4.22Å; I154-M157 WeakPolarHBondContact O-CB 3.1Å; I154-M157 PolarHBondContact O-N 2.74Å; I154-M157 VanDerWaalsContact O-N 3.07Å; I154-W158 HydrophobicContact CG2-CD2 3.53Å; I154-W158 HydrophobicContact CG2-CE3 3.66Å; I154-W158 HydrophobicContact CG2-CG 4.2Å; I154-W158 HydrophobicContact CG2-CH2 3.78Å; I154-W158 HydrophobicContact CG2-CZ2 3.65Å; I154-W158 HydrophobicContact CG2-CZ3 3.8Å; I154-W158 PolarHBondContact O-N 3.25Å; I154-F170 HydrophobicContact CB-CE1 3.95Å; I154-F170 HydrophobicContact CB-CZ 4.15Å; I154-F170 HydrophobicContact CG2-CE1 3.84Å; I154-F170 HydrophobicContact CG2-CZ 3.6Å
155A98.5Very high97.6Very high0 Ų049.9 Ų49.90%029%0.29CS..Hα-helixtrans-59.9-34.8173.300000112.8Y151 D152 H159 K167 F170 K171Y151-A155 WeakPolarHBondContact O-CB 3.43Å; Y151-A155 PolarHBondContact O-N 2.89Å; D152-A155 WeakPolarHBondContact O-CB 3.26Å; D152-A155 PolarHBondContact O-N 3.02Å; A155-H159 PolarHBondContact O-N 2.76Å; A155-K167 HydrophobicContact CB-CG 3.96Å; A155-K167 WeakPolarHBondContact O-CE 3.4Å; A155-F170 HydrophobicContact CB-CD1 3.82Å; A155-F170 HydrophobicContact CB-CE1 4.31Å; A155-K171 HydrophobicContact CB-CD 4.21Å; A155-K171 VanDerWaalsContact CB-CE 3.49Å; A155-K171 HydrophobicContact CB-CG 3.64Å
156E98.1Very high97.6Very high89 Ų8948.2 Ų48.242%0.41628%0.279SS..Hα-helixtrans-72-39.3172.3-63.1-47.8135.900112D152 K153 I154 H159 K167 K171D152-E156 WeakPolarHBondContact O-CG 3.22Å; D152-E156 PolarHBondContact O-N 3.27Å; K153-E156 PolarHBondContact O-N 2.6Å; I154-E156 PolarHBondContact O-N 3.32Å; E156-H159 WeakPolarHBondContact O-CB 3.29Å; E156-H159 PolarHBondContact O-N 2.8Å; E156-H159 PolarHBondContact O-ND1 3.23Å; E156-K167 WeakPolarHBondContact OE1-CE 3.43Å; E156-K167 IonicContact OE1-NZ 3.63Å; E156-K167 PolarHBondContact OE1-NZ 3.22Å; E156-K167 IonicContact OE2-NZ 3.65Å; E156-K167 PolarHBondContact OE2-NZ 2.93Å; E156-K171 WeakPolarHBondContact OE1-CE 3.31Å; E156-K171 IonicContact OE1-NZ 2.73Å; E156-K171 PolarHBondContact OE1-NZ 2.95Å
157M97.8Very high97.7Very high53 Ų5349.6 Ų49.626%0.26128%0.28SS..Hα-helixtrans-62-43.7174.8-74.7-175.2-110.800112I109 G113 K153 I154 H159I109-M157 HydrophobicContact CD1-CE 4.16Å; I109-M157 HydrophobicContact CG2-CE 3.69Å; G113-M157 WeakPolarHBondContact CA-SD 3.28Å; K153-M157 HydrophobicContact CB-CE 4.19Å; K153-M157 WeakPolarHBondContact O-CG 3.21Å; K153-M157 PolarHBondContact O-N 3.25Å; I154-M157 HydrophobicContact CG1-CE 4.22Å; I154-M157 WeakPolarHBondContact O-CB 3.1Å; I154-M157 PolarHBondContact O-N 2.74Å; I154-M157 VanDerWaalsContact O-N 3.07Å; M157-H159 VanDerWaalsContact C-N 3.28Å; M157-H159 PolarHBondContact O-N 2.59Å
158W98.3Very high97.7Very high3 Ų351.2 Ų51.21%0.01128%0.28CS..THydrogen-bonded Turntrans-88.414.9-177.9-60.8-11000113.7W90 I112 T116 S130 L132 I154 G160 W161 L162 F170W90-W158 HydrophobicContact CZ3-CZ2 4.17Å; I112-W158 HydrophobicContact CG2-CZ2 4.45Å; T116-W158 PolarHBondContact OG1-NE1 2.75Å; T116-W158 VanDerWaalsContact OG1-NE1 3.08Å; S130-W158 WeakPolarHBondContact O-CZ3 3.23Å; S130-W158 WeakPolarHBondContact OG-CH2 3.45Å; S130-W158 VanDerWaalsContact OG-CZ2 3.25Å; S130-W158 WeakPolarHBondContact OG-CZ2 3.3Å; L132-W158 HydrophobicContact CD2-CH2 3.96Å; L132-W158 HydrophobicContact CG-CH2 4.5Å; I154-W158 HydrophobicContact CG2-CD2 3.53Å; I154-W158 HydrophobicContact CG2-CE3 3.66Å; I154-W158 HydrophobicContact CG2-CG 4.2Å; I154-W158 HydrophobicContact CG2-CH2 3.78Å; I154-W158 HydrophobicContact CG2-CZ2 3.65Å; I154-W158 HydrophobicContact CG2-CZ3 3.8Å; I154-W158 PolarHBondContact O-N 3.25Å; W158-G160 PolarHBondContact O-N 3.49Å; W158-G160 VanDerWaalsContact O-N 3.07Å; W158-W161 HydrophobicContact CB-CE3 3.91Å; W158-W161 AromaticContact CD1-CE3 3.58Å; W158-W161 AromaticContact CD1-CZ3 3.4Å; W158-W161 HydrophobicContact CD2-CE3 4.24Å; W158-W161 HydrophobicContact CD2-CZ3 4.33Å; W158-W161 AromaticContact CG-CE3 3.66Å; W158-W161 HydrophobicContact CG-CE3 3.66Å; W158-W161 AromaticContact CG-CZ3 3.91Å; W158-W161 HydrophobicContact CG-CZ3 3.91Å; W158-W161 AromaticContact NE1-CZ3 3.58Å; W158-W161 WeakPolarHBondContact O-CA 3.44Å; W158-W161 PolarHBondContact O-N 2.84Å; W158-L162 HydrophobicContact CB-CD1 3.95Å; W158-L162 HydrophobicContact CB-CG 4.16Å; W158-L162 WeakPolarHBondContact O-CG 3.36Å; W158-L162 PolarHBondContact O-N 3.06Å; W158-L162 VanDerWaalsContact O-N 3.15Å; W158-F170 AromaticContact CE3-CE2 3.96Å; W158-F170 HydrophobicContact CE3-CE2 3.96Å; W158-F170 AromaticContact CE3-CZ 3.99Å; W158-F170 HydrophobicContact CE3-CZ 3.99Å; W158-F170 HydrophobicContact CH2-CE2 4.5Å; W158-F170 HydrophobicContact CH2-CZ 4.43Å; W158-F170 HydrophobicContact CZ3-CD2 4.48Å; W158-F170 AromaticContact CZ3-CE2 3.51Å; W158-F170 HydrophobicContact CZ3-CE2 3.51Å; W158-F170 AromaticContact CZ3-CZ 3.66Å; W158-F170 HydrophobicContact CZ3-CZ 3.66Å
159H95.8Very high97.7Very high125 Ų12551.4 Ų51.458%0.57928%0.283SS*.THydrogen-bonded Turntrans-55.9-29.8-176.272.4-80.2000114A155 E156 M157 W161A155-H159 PolarHBondContact O-N 2.76Å; E156-H159 WeakPolarHBondContact O-CB 3.29Å; E156-H159 PolarHBondContact O-N 2.8Å; E156-H159 PolarHBondContact O-ND1 3.23Å; M157-H159 VanDerWaalsContact C-N 3.28Å; M157-H159 PolarHBondContact O-N 2.59Å; H159-W161 VanDerWaalsContact C-N 3.26Å; H159-W161 PolarHBondContact O-N 3.14Å
160G94.6Very high97.7Very high62 Ų6249 Ų4964%0.63927%0.266SS*.THydrogen-bonded Turntrans-74.8-14.3176.600000114W158W158-G160 PolarHBondContact O-N 3.49Å; W158-G160 VanDerWaalsContact O-N 3.07Å
161W96.8Very high97.7Very high22 Ų2251.3 Ų51.38%0.08328%0.276CS..THydrogen-bonded Turntrans-105.4-18.9-178.6-57.1-23.2000113.1W90 T116 I119 T120 K127 V128 W158 H159W90-W161 HydrophobicContact CE3-CH2 4.31Å; W90-W161 HydrophobicContact CE3-CZ3 4.1Å; W90-W161 HydrophobicContact CZ3-CH2 4.1Å; W90-W161 AromaticContact CZ3-CZ3 3.97Å; W90-W161 HydrophobicContact CZ3-CZ3 3.97Å; T116-W161 HydrophobicContact CG2-CH2 3.7Å; T116-W161 HydrophobicContact CG2-CZ2 4.3Å; T116-W161 HydrophobicContact CG2-CZ3 4.05Å; I119-W161 HydrophobicContact CG2-CH2 4.43Å; I119-W161 HydrophobicContact CG2-CZ2 4.36Å; T120-W161 WeakPolarHBondContact OG1-CZ2 3.13Å; K127-W161 VanDerWaalsContact CE-O 3.25Å; K127-W161 WeakPolarHBondContact CE-O 3.34Å; V128-W161 HydrophobicContact CB-CD2 3.67Å; V128-W161 HydrophobicContact CB-CE3 3.86Å; V128-W161 HydrophobicContact CB-CG 4.17Å; V128-W161 HydrophobicContact CB-CH2 4.05Å; V128-W161 HydrophobicContact CB-CZ2 3.89Å; V128-W161 HydrophobicContact CB-CZ3 4.04Å; V128-W161 HydrophobicContact CG1-CE3 4.26Å; V128-W161 HydrophobicContact CG1-CH2 4.2Å; V128-W161 HydrophobicContact CG1-CZ3 4.07Å; V128-W161 HydrophobicContact CG2-CD2 4.13Å; V128-W161 HydrophobicContact CG2-CH2 4.03Å; V128-W161 HydrophobicContact CG2-CZ2 3.53Å; V128-W161 WeakPolarHBondContact O-CB 3.33Å; W158-W161 HydrophobicContact CB-CE3 3.91Å; W158-W161 AromaticContact CD1-CE3 3.58Å; W158-W161 AromaticContact CD1-CZ3 3.4Å; W158-W161 HydrophobicContact CD2-CE3 4.24Å; W158-W161 HydrophobicContact CD2-CZ3 4.33Å; W158-W161 AromaticContact CG-CE3 3.66Å; W158-W161 HydrophobicContact CG-CE3 3.66Å; W158-W161 AromaticContact CG-CZ3 3.91Å; W158-W161 HydrophobicContact CG-CZ3 3.91Å; W158-W161 AromaticContact NE1-CZ3 3.58Å; W158-W161 WeakPolarHBondContact O-CA 3.44Å; W158-W161 PolarHBondContact O-N 2.84Å; H159-W161 VanDerWaalsContact C-N 3.26Å; H159-W161 PolarHBondContact O-N 3.14Å
162L97.7Very high97.7Very high13 Ų1354.9 Ų54.97%0.06830%0.295CS..  trans-108.4128-174.7-59.1176.4000111.6W158 K167 F170 Y176W158-L162 HydrophobicContact CB-CD1 3.95Å; W158-L162 HydrophobicContact CB-CG 4.16Å; W158-L162 WeakPolarHBondContact O-CG 3.36Å; W158-L162 PolarHBondContact O-N 3.06Å; W158-L162 VanDerWaalsContact O-N 3.15Å; L162-K167 HydrophobicContact CB-CB 4.3Å; L162-F170 HydrophobicContact CD1-CB 4.49Å; L162-Y176 HydrophobicContact CD2-CD1 4.24Å; L162-Y176 HydrophobicContact CD2-CD2 3.64Å; L162-Y176 HydrophobicContact CD2-CE1 3.95Å; L162-Y176 HydrophobicContact CD2-CE2 3.31Å; L162-Y176 HydrophobicContact CD2-CG 4.09Å; L162-Y176 VanDerWaalsContact CD2-CZ 3.48Å
163E96.3Very high97.6Very high104 Ų10451.7 Ų51.749%0.48628%0.278SS..  trans-67.2164.4164.2-60.9-65.3151.300110.8K127 D165 S166 K167 E178K127-E163 IonicContact NZ-OE1 3.37Å; E163-D165 PolarHBondContact O-N 3.45Å; E163-S166 WeakPolarHBondContact O-CB 3.32Å; E163-S166 PolarHBondContact O-N 3.37Å; E163-S166 VanDerWaalsContact O-N 3.1Å; E163-K167 PolarHBondContact O-N 2.9Å; E163-E178 VanDerWaalsContact CB-OE1 3.29Å; E163-E178 WeakPolarHBondContact CB-OE1 3.33Å; E163-E178 VanDerWaalsContact CG-OE1 3.26Å; E163-E178 WeakPolarHBondContact CG-OE1 3.48Å; E163-E178 VanDerWaalsContact CG-OE2 3.28Å; E163-E178 WeakPolarHBondContact CG-OE2 3.31Å; E163-E178 PolarHBondContact N-OE1 2.82Å
164A97Very high97.6Very high77 Ų7747.8 Ų47.864%0.63626%0.261SS*.Hα-helixtrans-55.3-47.8-17500000113.3S166 K167 E168A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 2.86Å; A164-K167 WeakPolarHBondContact O-CB 3.31Å; A164-K167 PolarHBondContact O-N 2.64Å; A164-E168 PolarHBondContact O-N 2.6Å; A164-E168 VanDerWaalsContact O-N 3.07Å
165D97.1Very high97.6Very high131 Ų13148.8 Ų48.870%0.70127%0.265SS*.Hα-helixtrans-67.9-34.1179.3-61.3-7.5000111.8E163 E168 S169E163-D165 PolarHBondContact O-N 3.45Å; D165-E168 PolarHBondContact O-N 3.17Å; D165-S169 PolarHBondContact O-N 3.43Å; D165-S169 PolarHBondContact O-OG 2.85Å
166S98.3Very high97.7Very high6 Ų648.8 Ų48.84%0.04227%0.265CS..Hα-helixtrans-66.7-40.7175-56.90000111.4E163 A164 E168 S169 F170 Y176 T177 E178E163-S166 WeakPolarHBondContact O-CB 3.32Å; E163-S166 PolarHBondContact O-N 3.37Å; E163-S166 VanDerWaalsContact O-N 3.1Å; A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 2.86Å; S166-E168 VanDerWaalsContact C-N 3.34Å; S166-S169 WeakPolarHBondContact CA-OG 3.22Å; S166-S169 PolarHBondContact O-OG 2.9Å; S166-S169 VanDerWaalsContact O-OG 3.09Å; S166-F170 VanDerWaalsContact O-CB 3.22Å; S166-F170 WeakPolarHBondContact O-CB 3.08Å; S166-F170 PolarHBondContact O-N 3.3Å; S166-Y176 WeakPolarHBondContact O-CB 3.28Å; S166-T177 PolarHBondContact OG-O 3.25Å; S166-E178 WeakPolarHBondContact CB-OE1 3.28Å; S166-E178 PolarHBondContact OG-OE1 2.66Å
167K98.3Very high97.7Very high46 Ų4645.7 Ų45.720%0.225%0.252CS..Hα-helixtrans-62.9-41.3175.1-167.3179.7-178.6175.20111.4A155 E156 L162 E163 A164 K171A155-K167 HydrophobicContact CB-CG 3.96Å; A155-K167 WeakPolarHBondContact O-CE 3.4Å; E156-K167 WeakPolarHBondContact OE1-CE 3.43Å; E156-K167 IonicContact OE1-NZ 3.63Å; E156-K167 PolarHBondContact OE1-NZ 3.22Å; E156-K167 IonicContact OE2-NZ 3.65Å; E156-K167 PolarHBondContact OE2-NZ 2.93Å; L162-K167 HydrophobicContact CB-CB 4.3Å; E163-K167 PolarHBondContact O-N 2.9Å; A164-K167 WeakPolarHBondContact O-CB 3.31Å; A164-K167 PolarHBondContact O-N 2.64Å; K167-K171 VanDerWaalsContact O-CG 3.28Å; K167-K171 WeakPolarHBondContact O-CG 3.15Å; K167-K171 PolarHBondContact O-N 3.41Å
168E97.8Very high97.7Very high126 Ų12643.4 Ų43.459%0.58924%0.241SC*.Hα-helixtrans-65.5-49.6177.3-174.7176.2176.200112A164 D165 S166 F170 K171 N172A164-E168 PolarHBondContact O-N 2.6Å; A164-E168 VanDerWaalsContact O-N 3.07Å; D165-E168 PolarHBondContact O-N 3.17Å; S166-E168 VanDerWaalsContact C-N 3.34Å; E168-F170 VanDerWaalsContact C-N 3.34Å; E168-F170 PolarHBondContact O-N 2.82Å; E168-K171 PolarHBondContact O-N 3.26Å; E168-N172 PolarHBondContact O-N 2.85Å; E168-N172 PolarHBondContact O-ND2 2.85Å
169S98.1Very high97.6Very high23 Ų2348.9 Ų48.916%0.16127%0.265CS..Hα-helixtrans-61.8-40.4176.547.40000112.5D165 S166 K171 N172 G173 Y175 Y176D165-S169 PolarHBondContact O-N 3.43Å; D165-S169 PolarHBondContact O-OG 2.85Å; S166-S169 WeakPolarHBondContact CA-OG 3.22Å; S166-S169 PolarHBondContact O-OG 2.9Å; S166-S169 VanDerWaalsContact O-OG 3.09Å; S169-K171 PolarHBondContact O-N 2.89Å; S169-N172 PolarHBondContact O-N 3.29Å; S169-N172 VanDerWaalsContact O-N 3.09Å; S169-G173 PolarHBondContact O-N 3.43Å; S169-Y175 CarbonylContact C-O 3.44Å; S169-Y176 WeakPolarHBondContact OG-CB 3.27Å
170F98.8Very high97.3Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-60.6-44.9174.8-175.1-84.9000111.6L132 Y151 I154 A155 W158 L162 S166 E168 N172 G173 G174 Y175 Y176L132-F170 HydrophobicContact CD1-CE2 4.27Å; L132-F170 HydrophobicContact CD1-CZ 3.85Å; L132-F170 HydrophobicContact CD2-CZ 4.24Å; L132-F170 HydrophobicContact CG-CE2 4.22Å; L132-F170 HydrophobicContact CG-CZ 3.98Å; Y151-F170 WeakPolarHBondContact O-CE1 3.25Å; I154-F170 HydrophobicContact CB-CE1 3.95Å; I154-F170 HydrophobicContact CB-CZ 4.15Å; I154-F170 HydrophobicContact CG2-CE1 3.84Å; I154-F170 HydrophobicContact CG2-CZ 3.6Å; A155-F170 HydrophobicContact CB-CD1 3.82Å; A155-F170 HydrophobicContact CB-CE1 4.31Å; W158-F170 AromaticContact CE3-CE2 3.96Å; W158-F170 HydrophobicContact CE3-CE2 3.96Å; W158-F170 AromaticContact CE3-CZ 3.99Å; W158-F170 HydrophobicContact CE3-CZ 3.99Å; W158-F170 HydrophobicContact CH2-CE2 4.5Å; W158-F170 HydrophobicContact CH2-CZ 4.43Å; W158-F170 HydrophobicContact CZ3-CD2 4.48Å; W158-F170 AromaticContact CZ3-CE2 3.51Å; W158-F170 HydrophobicContact CZ3-CE2 3.51Å; W158-F170 AromaticContact CZ3-CZ 3.66Å; W158-F170 HydrophobicContact CZ3-CZ 3.66Å; L162-F170 HydrophobicContact CD1-CB 4.49Å; S166-F170 VanDerWaalsContact O-CB 3.22Å; S166-F170 WeakPolarHBondContact O-CB 3.08Å; S166-F170 PolarHBondContact O-N 3.3Å; E168-F170 VanDerWaalsContact C-N 3.34Å; E168-F170 PolarHBondContact O-N 2.82Å; F170-N172 PolarHBondContact O-N 2.95Å; F170-G173 PolarHBondContact O-N 3.11Å; F170-G174 VanDerWaalsContact O-CA 3.3Å; F170-G174 WeakPolarHBondContact O-CA 3.43Å; F170-G174 PolarHBondContact O-N 2.87Å; F170-Y175 WeakPolarHBondContact CA-O 3.49Å; F170-Y175 PolarHBondContact N-O 3.28Å; F170-Y175 VanDerWaalsContact N-O 3.13Å; F170-Y176 HydrophobicContact CB-CD1 4.33Å; F170-Y176 AromaticContact CD2-CD1 3.69Å; F170-Y176 HydrophobicContact CD2-CD1 3.69Å; F170-Y176 AromaticContact CD2-CE1 3.9Å; F170-Y176 HydrophobicContact CD2-CE1 3.9Å; F170-Y176 HydrophobicContact CE2-CE1 4.41Å; F170-Y176 HydrophobicContact CG-CD1 4.48Å
171K98.5Very high96.8Very high49 Ų4942.6 Ų42.621%0.21322%0.22CC..Hα-helixtrans-61.1-32.4175.6-74.8178.9173.7-159.60112.5P147 D152 A155 E156 K167 E168 S169P147-K171 VanDerWaalsContact CA-O 3.29Å; P147-K171 WeakPolarHBondContact CA-O 3.25Å; D152-K171 WeakPolarHBondContact OD1-CD 3.38Å; D152-K171 WeakPolarHBondContact OD1-CE 3.32Å; D152-K171 WeakPolarHBondContact OD1-CG 3.46Å; D152-K171 IonicContact OD1-NZ 2.81Å; A155-K171 HydrophobicContact CB-CD 4.21Å; A155-K171 VanDerWaalsContact CB-CE 3.49Å; A155-K171 HydrophobicContact CB-CG 3.64Å; E156-K171 WeakPolarHBondContact OE1-CE 3.31Å; E156-K171 IonicContact OE1-NZ 2.73Å; E156-K171 PolarHBondContact OE1-NZ 2.95Å; K167-K171 VanDerWaalsContact O-CG 3.28Å; K167-K171 WeakPolarHBondContact O-CG 3.15Å; K167-K171 PolarHBondContact O-N 3.41Å; E168-K171 PolarHBondContact O-N 3.26Å; S169-K171 PolarHBondContact O-N 2.89Å
172N97.6Very high96.1Very high74 Ų7446.4 Ų46.440%0.39624%0.242SC..Hα-helixtrans-79.2-28.2-178.5-71-28.9000114.4G146 E168 S169 F170G146-N172 CarbonylContact C-O 3.56Å; G146-N172 VanDerWaalsContact CA-O 3.25Å; G146-N172 WeakPolarHBondContact CA-O 3.49Å; E168-N172 PolarHBondContact O-N 2.85Å; E168-N172 PolarHBondContact O-ND2 2.85Å; S169-N172 PolarHBondContact O-N 3.29Å; S169-N172 VanDerWaalsContact O-N 3.09Å; F170-N172 PolarHBondContact O-N 2.95Å
173G98.1Very high95.7Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-158.58.4-173.600000116.8S169 F170 Y175 N192S169-G173 PolarHBondContact O-N 3.43Å; F170-G173 PolarHBondContact O-N 3.11Å; G173-Y175 WeakPolarHBondContact O-CD1 3.3Å; G173-Y175 PolarHBondContact O-N 3.04Å; G173-N192 WeakPolarHBondContact O-CB 3.37Å; G173-N192 PolarHBondContact O-ND2 2.75Å
174G98.5Very high95.4Very high0 Ų049 Ų490%027%0.266CS..SBendtrans70.110.4-17800000114.7F170F170-G174 VanDerWaalsContact O-CA 3.3Å; F170-G174 WeakPolarHBondContact O-CA 3.43Å; F170-G174 PolarHBondContact O-N 2.87Å
175Y98.8Very high95.3Very high21 Ų2146.5 Ų46.58%0.08225%0.248CC..  trans-123155.1178.765.8-103.5000110.4S169 F170 G173 V190 A210 Q212 W215S169-Y175 CarbonylContact C-O 3.44Å; F170-Y175 WeakPolarHBondContact CA-O 3.49Å; F170-Y175 PolarHBondContact N-O 3.28Å; F170-Y175 VanDerWaalsContact N-O 3.13Å; G173-Y175 WeakPolarHBondContact O-CD1 3.3Å; G173-Y175 PolarHBondContact O-N 3.04Å; Y175-V190 CarbonylContact C-O 3.4Å; Y175-V190 VanDerWaalsContact CA-O 3.23Å; Y175-V190 WeakPolarHBondContact CA-O 3.41Å; Y175-V190 VanDerWaalsContact CB-O 3.25Å; Y175-V190 WeakPolarHBondContact CB-O 3.33Å; Y175-A210 HydrophobicContact CE1-CB 3.86Å; Y175-A210 WeakPolarHBondContact CE1-O 3.43Å; Y175-A210 PolarHBondContact OH-O 3.29Å; Y175-Q212 VanDerWaalsContact CB-OE1 3.3Å; Y175-Q212 HydrophobicContact CD1-CB 3.83Å; Y175-Q212 HydrophobicContact CD1-CG 3.63Å; Y175-Q212 HydrophobicContact CD2-CG 4.5Å; Y175-Q212 HydrophobicContact CE1-CB 3.66Å; Y175-Q212 HydrophobicContact CE1-CG 3.94Å; Y175-Q212 HydrophobicContact CG-CG 3.94Å; Y175-W215 AromaticContact CD2-CD2 3.62Å; Y175-W215 HydrophobicContact CD2-CD2 3.62Å; Y175-W215 AromaticContact CD2-CE2 3.78Å; Y175-W215 AromaticContact CD2-CE3 3.56Å; Y175-W215 HydrophobicContact CD2-CE3 3.56Å; Y175-W215 HydrophobicContact CD2-CG 4.29Å; Y175-W215 AromaticContact CD2-CH2 3.87Å; Y175-W215 HydrophobicContact CD2-CH2 3.87Å; Y175-W215 AromaticContact CD2-CZ2 3.92Å; Y175-W215 HydrophobicContact CD2-CZ2 3.92Å; Y175-W215 AromaticContact CD2-CZ3 3.7Å; Y175-W215 HydrophobicContact CD2-CZ3 3.7Å; Y175-W215 HydrophobicContact CE2-CB 4.12Å; Y175-W215 AromaticContact CE2-CD1 3.91Å; Y175-W215 AromaticContact CE2-CD2 3.37Å; Y175-W215 HydrophobicContact CE2-CD2 3.37Å; Y175-W215 AromaticContact CE2-CE2 3.71Å; Y175-W215 AromaticContact CE2-CE3 3.71Å; Y175-W215 HydrophobicContact CE2-CE3 3.71Å; Y175-W215 AromaticContact CE2-CG 3.54Å; Y175-W215 HydrophobicContact CE2-CG 3.54Å; Y175-W215 HydrophobicContact CE2-CZ2 4.31Å; Y175-W215 HydrophobicContact CE2-CZ3 4.31Å; Y175-W215 AromaticContact CE2-NE1 3.99Å; Y175-W215 HydrophobicContact CG-CE3 4.37Å; Y175-W215 HydrophobicContact CG-CZ3 4.35Å
176Y98.9Very high95.3Very high1 Ų141.5 Ų41.50%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-164.1177.1-179.963.9-78.9000111.7S130 L162 S166 S169 F170 E178 V190 W215S130-Y176 PolarHBondContact N-OH 2.73Å; S130-Y176 VanDerWaalsContact O-CE1 3.32Å; S130-Y176 WeakPolarHBondContact O-CE1 3.27Å; S130-Y176 PolarHBondContact O-OH 2.71Å; L162-Y176 HydrophobicContact CD2-CD1 4.24Å; L162-Y176 HydrophobicContact CD2-CD2 3.64Å; L162-Y176 HydrophobicContact CD2-CE1 3.95Å; L162-Y176 HydrophobicContact CD2-CE2 3.31Å; L162-Y176 HydrophobicContact CD2-CG 4.09Å; L162-Y176 VanDerWaalsContact CD2-CZ 3.48Å; S166-Y176 WeakPolarHBondContact O-CB 3.28Å; S169-Y176 WeakPolarHBondContact OG-CB 3.27Å; F170-Y176 HydrophobicContact CB-CD1 4.33Å; F170-Y176 AromaticContact CD2-CD1 3.69Å; F170-Y176 HydrophobicContact CD2-CD1 3.69Å; F170-Y176 AromaticContact CD2-CE1 3.9Å; F170-Y176 HydrophobicContact CD2-CE1 3.9Å; F170-Y176 HydrophobicContact CE2-CE1 4.41Å; F170-Y176 HydrophobicContact CG-CD1 4.48Å; Y176-E178 HydrophobicContact CD2-CG 3.93Å; Y176-E178 HydrophobicContact CE2-CG 3.87Å; Y176-V190 HydrophobicContact CD1-CB 3.79Å; Y176-V190 HydrophobicContact CD1-CG1 4.25Å; Y176-V190 HydrophobicContact CD1-CG2 4.25Å; Y176-V190 HydrophobicContact CD2-CB 4.44Å; Y176-V190 HydrophobicContact CD2-CG2 4.08Å; Y176-V190 HydrophobicContact CE1-CB 3.5Å; Y176-V190 HydrophobicContact CE1-CG1 3.61Å; Y176-V190 HydrophobicContact CE1-CG2 3.75Å; Y176-V190 HydrophobicContact CE2-CB 4.17Å; Y176-V190 HydrophobicContact CE2-CG2 3.53Å; Y176-V190 HydrophobicContact CG-CB 4.27Å; Y176-V190 HydrophobicContact CG-CG2 4.41Å; Y176-V190 PolarHBondContact N-O 3.44Å; Y176-V190 PolarHBondContact O-N 3.17Å; Y176-W215 WeakPolarHBondContact O-CH2 3.49Å
177T98.6Very high95.3Very high24 Ų2443.1 Ų43.115%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-139.8142.3174.8-174.50000111.7S166 R187 V188 L189 W215 T219S166-T177 PolarHBondContact OG-O 3.25Å; T177-R187 WeakPolarHBondContact OG1-CD 3.4Å; T177-R187 WeakPolarHBondContact OG1-CG 3.45Å; T177-R187 PolarHBondContact OG1-NH1 3.29Å; T177-V188 VanDerWaalsContact CA-O 3.27Å; T177-V188 WeakPolarHBondContact CA-O 3.42Å; T177-V188 PolarHBondContact OG1-O 3.14Å; T177-L189 WeakPolarHBondContact OG1-CD2 3.48Å; T177-W215 HydrophobicContact CG2-CZ2 3.98Å; T177-T219 HydrophobicContact CG2-CG2 4.25Å
178E97.7Very high95.3Very high5 Ų541 Ų412%0.02322%0.216CC..EExtended strand (participates in β ladder)trans-129.3155.3-178.5-81.3-69.4146.700111.1K127 Y129 E163 S166 Y176 L180 R187 V188K127-E178 IonicContact NZ-OE2 3.14Å; K127-E178 PolarHBondContact NZ-OE2 3.28Å; Y129-E178 HydrophobicContact CD1-CB 4.01Å; Y129-E178 HydrophobicContact CD1-CG 4.22Å; Y129-E178 HydrophobicContact CE1-CB 3.53Å; Y129-E178 HydrophobicContact CE1-CG 3.99Å; E163-E178 VanDerWaalsContact CB-OE1 3.29Å; E163-E178 WeakPolarHBondContact CB-OE1 3.33Å; E163-E178 VanDerWaalsContact CG-OE1 3.26Å; E163-E178 WeakPolarHBondContact CG-OE1 3.48Å; E163-E178 VanDerWaalsContact CG-OE2 3.28Å; E163-E178 WeakPolarHBondContact CG-OE2 3.31Å; E163-E178 PolarHBondContact N-OE1 2.82Å; S166-E178 WeakPolarHBondContact CB-OE1 3.28Å; S166-E178 PolarHBondContact OG-OE1 2.66Å; Y176-E178 HydrophobicContact CD2-CG 3.93Å; Y176-E178 HydrophobicContact CE2-CG 3.87Å; E178-L180 PolarHBondContact O-N 3.46Å; E178-R187 WeakPolarHBondContact O-CA 3.31Å; E178-V188 HydrophobicContact CB-CG1 3.7Å; E178-V188 PolarHBondContact N-O 3.26Å; E178-V188 PolarHBondContact O-N 3.33Å
179K95.8Very high95.3Very high118 Ų11835 Ų3551%0.51319%0.188SC..EExtended strand (participates in β ladder)trans-72123.9163.9-69176.4-173.9167.60108.2Y129 L181 N182 Y186Y129-K179 PolarHBondContact OH-O 3.1Å; Y129-K179 VanDerWaalsContact OH-O 3.11Å; K179-L181 PolarHBondContact O-N 3.41Å; K179-N182 PolarHBondContact O-N 3.17Å; K179-Y186 CarbonylContact C-O 3.6Å; K179-Y186 WeakPolarHBondContact CA-O 3.4Å
180L91.4Very high95.4Very high2 Ų234 Ų341%0.0118%0.18CC..G310 helixtrans-68.5126.7178.4-171.268.2000108.9F87 Y129 E178 N182 R183 Y186 V188 Y231 L331F87-L180 HydrophobicContact CD1-CD1 4.04Å; F87-L180 HydrophobicContact CD2-CD1 4.35Å; F87-L180 HydrophobicContact CE1-CD1 3.81Å; F87-L180 HydrophobicContact CE1-CD2 4.3Å; F87-L180 HydrophobicContact CE1-CG 4.28Å; F87-L180 HydrophobicContact CE2-CD1 4.11Å; F87-L180 HydrophobicContact CG-CD1 4.31Å; F87-L180 HydrophobicContact CZ-CD1 3.85Å; F87-L180 HydrophobicContact CZ-CD2 4.37Å; Y129-L180 HydrophobicContact CD2-CD1 4.23Å; Y129-L180 HydrophobicContact CE2-CD1 3.49Å; Y129-L180 VanDerWaalsContact CE2-CD1 3.49Å; Y129-L180 WeakPolarHBondContact OH-CA 3.45Å; E178-L180 PolarHBondContact O-N 3.46Å; L180-N182 PolarHBondContact O-N 2.9Å; L180-N182 VanDerWaalsContact O-N 3.1Å; L180-R183 PolarHBondContact O-N 3.3Å; L180-Y186 PolarHBondContact N-O 3.37Å; L180-V188 HydrophobicContact CD1-CB 4.38Å; L180-Y231 HydrophobicContact CD2-CD2 3.82Å; L180-Y231 HydrophobicContact CD2-CE2 3.96Å; L180-L331 HydrophobicContact CD2-CD1 3.78Å; L180-L331 HydrophobicContact CD2-CD2 3.71Å; L180-L331 HydrophobicContact CD2-CG 4.42Å
181L82.9Confident95.4Very high52 Ų5234 Ų3427%0.27218%0.18SC..G310 helixtrans5622.3-174.8-61.7178.9000114.8D86 F87 Y129 K179 R183 Y326D86-L181 HydrophobicContact CB-CD1 4.34Å; D86-L181 HydrophobicContact CB-CD2 3.96Å; D86-L181 WeakPolarHBondContact O-CD2 3.48Å; F87-L181 HydrophobicContact CD1-CD2 3.92Å; F87-L181 HydrophobicContact CD1-CG 4.29Å; Y129-L181 PolarHBondContact OH-N 2.89Å; Y129-L181 VanDerWaalsContact OH-N 3.08Å; K179-L181 PolarHBondContact O-N 3.41Å; L181-R183 HydrophobicContact CB-CG 4.02Å; L181-R183 PolarHBondContact O-N 3.05Å; L181-Y326 VanDerWaalsContact CD1-OH 3.24Å; L181-Y326 WeakPolarHBondContact CD1-OH 3.26Å
182N82.5Confident95.4Very high102 Ų10231.6 Ų31.655%0.54517%0.17SC..G310 helixtrans54.323.1-171.4-56.6-27.2000113K127 K179 L180K127-N182 PolarHBondContact NZ-OD1 3.35Å; K179-N182 PolarHBondContact O-N 3.17Å; L180-N182 PolarHBondContact O-N 2.9Å; L180-N182 VanDerWaalsContact O-N 3.1Å
183R88.9Confident95.5Very high82 Ų8228.1 Ų28.131%0.30915%0.151SC..  trans-93.4136.5178.2-66.9177.369.3-172.6-0110.2L180 L181 Y186 T328 E329L180-R183 PolarHBondContact O-N 3.3Å; L181-R183 HydrophobicContact CB-CG 4.02Å; L181-R183 PolarHBondContact O-N 3.05Å; R183-Y186 HydrophobicContact CB-CD2 3.68Å; R183-Y186 HydrophobicContact CB-CE2 4.34Å; R183-T328 PolarHBondContact NH1-O 2.77Å; R183-E329 IonicContact CZ-OE1 3.39Å; R183-E329 IonicContact NH1-OE1 3.71Å; R183-E329 IonicContact NH2-OE1 3.16Å; R183-E329 PolarHBondContact NH2-OE1 2.88Å; R183-E329 IonicContact NH2-OE2 3.89Å
184A90.3Very high95.5Very high89 Ų8928.1 Ų28.174%0.73615%0.151SC*.THydrogen-bonded Turntrans-65.2144.7169.200000110.2Y186A184-Y186 VanDerWaalsContact C-N 3.34Å; A184-Y186 WeakPolarHBondContact O-CD2 3.48Å
185G94.9Very high95.5Very high25 Ų2528.1 Ų28.126%0.25815%0.151SC..THydrogen-bonded Turntrans88.9-6.9-179.100000114.9E228 K229G185-E228 CarbonylContact O-C 3.46Å; G185-E228 WeakPolarHBondContact O-CA 3.23Å; G185-K229 PolarHBondContact O-N 3.32Å
186Y97.1Very high95.5Very high27 Ų2727.1 Ų27.111%0.10615%0.147CC..EExtended strand (participates in β ladder)trans-129.7132.9-179-52.9-76000110.6K179 L180 R183 A184 K229 E329 L331K179-Y186 CarbonylContact C-O 3.6Å; K179-Y186 WeakPolarHBondContact CA-O 3.4Å; L180-Y186 PolarHBondContact N-O 3.37Å; R183-Y186 HydrophobicContact CB-CD2 3.68Å; R183-Y186 HydrophobicContact CB-CE2 4.34Å; A184-Y186 VanDerWaalsContact C-N 3.34Å; A184-Y186 WeakPolarHBondContact O-CD2 3.48Å; Y186-K229 WeakPolarHBondContact CA-O 3.41Å; Y186-K229 HydrophobicContact CD1-CB 4.06Å; Y186-K229 HydrophobicContact CE1-CB 4.43Å; Y186-K229 HydrophobicContact CE1-CG 4.46Å; Y186-E329 VanDerWaalsContact CE1-O 3.27Å; Y186-E329 WeakPolarHBondContact CE1-O 3.38Å; Y186-E329 WeakPolarHBondContact OH-CA 3.27Å; Y186-E329 PolarHBondContact OH-O 2.8Å; Y186-L331 HydrophobicContact CD1-CD1 3.7Å; Y186-L331 HydrophobicContact CD1-CD2 3.56Å; Y186-L331 HydrophobicContact CD1-CG 3.44Å; Y186-L331 VanDerWaalsContact CD1-CG 3.44Å; Y186-L331 HydrophobicContact CE1-CD2 3.99Å; Y186-L331 HydrophobicContact CE1-CG 3.91Å; Y186-L331 HydrophobicContact CG-CD1 4.45Å; Y186-L331 HydrophobicContact CG-CD2 4.29Å; Y186-L331 HydrophobicContact CG-CG 4.46Å
187R97.6Very high95.5Very high39 Ų3927.6 Ų27.615%0.14715%0.149CC..EExtended strand (participates in β ladder)trans-136.6147.7-173.3177.8177.2-62.5-83.1-3.4110.9T177 E178 E228 K229 V230 Y231T177-R187 WeakPolarHBondContact OG1-CD 3.4Å; T177-R187 WeakPolarHBondContact OG1-CG 3.45Å; T177-R187 PolarHBondContact OG1-NH1 3.29Å; E178-R187 WeakPolarHBondContact O-CA 3.31Å; R187-E228 IonicContact CZ-OE2 3.22Å; R187-E228 IonicContact NE-OE2 3.22Å; R187-E228 PolarHBondContact NE-OE2 3.29Å; R187-E228 IonicContact NH2-OE1 2.87Å; R187-E228 PolarHBondContact NH2-OE1 3.2Å; R187-E228 IonicContact NH2-OE2 3.55Å; R187-E228 PolarHBondContact NH2-OE2 3.36Å; R187-K229 PolarHBondContact N-O 3.01Å; R187-V230 HydrophobicContact CB-CG2 4.3Å; R187-V230 WeakPolarHBondContact O-CA 3.45Å; R187-Y231 PolarHBondContact O-N 3.32Å
188V98.6Very high95.5Very high3 Ų331.4 Ų31.42%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-117.3136.916365.10000109.8Y129 T177 E178 L180 V190 Y231 I233Y129-V188 HydrophobicContact CD1-CG1 3.39Å; Y129-V188 HydrophobicContact CD2-CG1 4.29Å; Y129-V188 HydrophobicContact CE1-CG1 3.51Å; Y129-V188 HydrophobicContact CE2-CG1 4.4Å; Y129-V188 HydrophobicContact CG-CG1 3.78Å; T177-V188 VanDerWaalsContact CA-O 3.27Å; T177-V188 WeakPolarHBondContact CA-O 3.42Å; T177-V188 PolarHBondContact OG1-O 3.14Å; E178-V188 HydrophobicContact CB-CG1 3.7Å; E178-V188 PolarHBondContact N-O 3.26Å; E178-V188 PolarHBondContact O-N 3.33Å; L180-V188 HydrophobicContact CD1-CB 4.38Å; V188-V190 HydrophobicContact CG2-CG2 4.43Å; V188-Y231 CarbonylContact C-O 3.53Å; V188-Y231 WeakPolarHBondContact CA-O 3.32Å; V188-I233 HydrophobicContact CG2-CD1 3.44Å; V188-I233 VanDerWaalsContact CG2-CD1 3.44Å; V188-I233 HydrophobicContact CG2-CG1 3.46Å; V188-I233 VanDerWaalsContact CG2-CG1 3.46Å
189L98.8Very high95.5Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-110119174-70.9168.2000108.2T177 W215 L216 T219 L220 V230 Y231 I232 I233T177-L189 WeakPolarHBondContact OG1-CD2 3.48Å; L189-W215 HydrophobicContact CD2-CH2 3.57Å; L189-W215 HydrophobicContact CD2-CZ2 4.06Å; L189-W215 HydrophobicContact CD2-CZ3 4.2Å; L189-L216 HydrophobicContact CD1-CD1 3.66Å; L189-T219 HydrophobicContact CD2-CG2 3.53Å; L189-L220 HydrophobicContact CD1-CD2 3.53Å; L189-L220 HydrophobicContact CD1-CG 3.83Å; L189-V230 HydrophobicContact CB-CG1 4.5Å; L189-V230 HydrophobicContact CD1-CG1 3.5Å; L189-V230 VanDerWaalsContact CD1-CG1 3.5Å; L189-V230 HydrophobicContact CG-CG1 3.84Å; L189-Y231 PolarHBondContact N-O 3.39Å; L189-I232 HydrophobicContact CB-CG1 4.35Å; L189-I232 HydrophobicContact CD1-CG1 4.25Å; L189-I232 WeakPolarHBondContact O-CA 3.34Å; L189-I233 WeakPolarHBondContact O-CG1 3.1Å; L189-I233 PolarHBondContact O-N 2.84Å
190V98.9Very high95.6Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-106.5114.3179-166.10000108.5S130 A131 Y175 Y176 V188 I233S130-V190 WeakPolarHBondContact O-CG1 3.21Å; A131-V190 HydrophobicContact CB-CG1 3.59Å; Y175-V190 CarbonylContact C-O 3.4Å; Y175-V190 VanDerWaalsContact CA-O 3.23Å; Y175-V190 WeakPolarHBondContact CA-O 3.41Å; Y175-V190 VanDerWaalsContact CB-O 3.25Å; Y175-V190 WeakPolarHBondContact CB-O 3.33Å; Y176-V190 HydrophobicContact CD1-CB 3.79Å; Y176-V190 HydrophobicContact CD1-CG1 4.25Å; Y176-V190 HydrophobicContact CD1-CG2 4.25Å; Y176-V190 HydrophobicContact CD2-CB 4.44Å; Y176-V190 HydrophobicContact CD2-CG2 4.08Å; Y176-V190 HydrophobicContact CE1-CB 3.5Å; Y176-V190 HydrophobicContact CE1-CG1 3.61Å; Y176-V190 HydrophobicContact CE1-CG2 3.75Å; Y176-V190 HydrophobicContact CE2-CB 4.17Å; Y176-V190 HydrophobicContact CE2-CG2 3.53Å; Y176-V190 HydrophobicContact CG-CB 4.27Å; Y176-V190 HydrophobicContact CG-CG2 4.41Å; Y176-V190 PolarHBondContact N-O 3.44Å; Y176-V190 PolarHBondContact O-N 3.17Å; V188-V190 HydrophobicContact CG2-CG2 4.43Å; V190-I233 WeakPolarHBondContact CA-O 3.49Å; V190-I233 HydrophobicContact CB-CD1 4.32Å; V190-I233 HydrophobicContact CB-CG1 4.32Å; V190-I233 HydrophobicContact CG1-CD1 4.23Å; V190-I233 HydrophobicContact CG1-CG1 4.35Å; V190-I233 HydrophobicContact CG2-CD1 3.51Å; V190-I233 HydrophobicContact CG2-CG1 3.86Å
191L98.9Very high95.9Very high0 Ų036 Ų360%018%0.182CC..  trans-100.2142.4-174.1-52.5-175.1000111.1T193 Q212 W215 L216 I232 I233 Y258L191-T193 HydrophobicContact CB-CG2 3.77Å; L191-T193 HydrophobicContact CD1-CG2 4.24Å; L191-T193 PolarHBondContact O-N 3.4Å; L191-Q212 VanDerWaalsContact CA-OE1 3.27Å; L191-W215 HydrophobicContact CD2-CZ3 3.75Å; L191-L216 HydrophobicContact CD1-CD2 4.23Å; L191-L216 HydrophobicContact CD2-CD1 4.13Å; L191-L216 HydrophobicContact CD2-CD2 4.35Å; L191-I232 HydrophobicContact CD1-CG2 3.54Å; L191-I232 HydrophobicContact CG-CG2 3.95Å; L191-I233 PolarHBondContact N-O 2.87Å; L191-Y258 HydrophobicContact CD1-CE2 3.8Å
192N98.9Very high96.6Very high0 Ų038.8 Ų38.80%019%0.194CC..  trans-90.480.6163.6-173.5-1.8000109.1Y151 G173 N194 L195 Q212Y151-N192 PolarHBondContact OH-ND2 3.33Å; Y151-N192 VanDerWaalsContact OH-ND2 3.12Å; G173-N192 WeakPolarHBondContact O-CB 3.37Å; G173-N192 PolarHBondContact O-ND2 2.75Å; N192-N194 PolarHBondContact O-N 2.86Å; N192-N194 WeakPolarHBondContact OD1-CB 3.34Å; N192-N194 PolarHBondContact OD1-ND2 2.83Å; N192-L195 HydrophobicContact CB-CD1 4.22Å; N192-L195 HydrophobicContact CB-CG 4.3Å; N192-L195 PolarHBondContact O-N 3Å; N192-Q212 PolarHBondContact O-NE2 3.43Å
193T98.9Very high97.3Very high0 Ų034 Ų340%017%0.169CC..G310 helixtrans-78.7-5.6-178.252.20000113.3L191 L195 Y196 H235 I236 F250 F274L191-T193 HydrophobicContact CB-CG2 3.77Å; L191-T193 HydrophobicContact CD1-CG2 4.24Å; L191-T193 PolarHBondContact O-N 3.4Å; T193-L195 PolarHBondContact O-N 3.12Å; T193-Y196 HydrophobicContact CG2-CD2 3.91Å; T193-Y196 HydrophobicContact CG2-CE2 3.9Å; T193-Y196 WeakPolarHBondContact O-CB 3.34Å; T193-Y196 PolarHBondContact O-N 2.88Å; T193-H235 PolarHBondContact OG1-N 3Å; T193-I236 VanDerWaalsContact CB-O 3.31Å; T193-I236 WeakPolarHBondContact CB-O 3.29Å; T193-I236 PolarHBondContact OG1-N 3.2Å; T193-I236 VanDerWaalsContact OG1-N 3.07Å; T193-I236 PolarHBondContact OG1-O 2.82Å; T193-F250 HydrophobicContact CG2-CE1 4.49Å; T193-F250 HydrophobicContact CG2-CZ 3.8Å; T193-F274 HydrophobicContact CG2-CE1 3.96Å; T193-F274 HydrophobicContact CG2-CZ 4.44Å
194N98.9Very high97.2Very high1 Ų134.6 Ų34.61%0.00518%0.176CC..G310 helixtrans-63.5-25.2169.9-43.8-65.9000112.1L132 G133 N134 L143 N192 Y196 Y197 N200L132-N194 PolarHBondContact O-ND2 2.91Å; G133-N194 VanDerWaalsContact C-OD1 3.25Å; N134-N194 WeakPolarHBondContact CA-OD1 3.42Å; N134-N194 PolarHBondContact N-OD1 3.08Å; L143-N194 HydrophobicContact CB-CB 4.25Å; L143-N194 HydrophobicContact CD1-CB 3.89Å; L143-N194 HydrophobicContact CD2-CB 3.84Å; L143-N194 HydrophobicContact CG-CB 4.19Å; N192-N194 PolarHBondContact O-N 2.86Å; N192-N194 WeakPolarHBondContact OD1-CB 3.34Å; N192-N194 PolarHBondContact OD1-ND2 2.83Å; N194-Y196 PolarHBondContact O-N 2.91Å; N194-Y197 WeakPolarHBondContact O-CB 3.37Å; N194-Y197 PolarHBondContact O-N 2.94Å; N194-N200 PolarHBondContact O-ND2 3.22Å; N194-N200 VanDerWaalsContact O-ND2 3.07Å
195L98.8Very high97.2Very high0 Ų038 Ų380%018%0.182CC..G310 helixtrans-63.2-20.2171.9-62-180000112.4L143 N192 T193 T203 P209 A210L143-L195 HydrophobicContact CB-CD2 4.44Å; L143-L195 WeakPolarHBondContact O-CD2 3.08Å; N192-L195 HydrophobicContact CB-CD1 4.22Å; N192-L195 HydrophobicContact CB-CG 4.3Å; N192-L195 PolarHBondContact O-N 3Å; T193-L195 PolarHBondContact O-N 3.12Å; L195-T203 HydrophobicContact CB-CG2 4.28Å; L195-T203 HydrophobicContact CD2-CG2 3.86Å; L195-T203 VanDerWaalsContact O-CB 3.28Å; L195-T203 WeakPolarHBondContact O-CB 3.47Å; L195-T203 PolarHBondContact O-OG1 2.95Å; L195-P209 HydrophobicContact CB-CB 4.11Å; L195-P209 HydrophobicContact CB-CG 3.94Å; L195-P209 HydrophobicContact CD1-CB 4.39Å; L195-A210 HydrophobicContact CD1-CB 3.87Å
196Y98.8Very high97.3Very high0 Ų039.6 Ų39.60%018%0.184CC..G310 helixtrans-97.8-5.7-178.7-49.2-39.2000113.3T193 N194 P209 Q212 F213 F250 T251 F254T193-Y196 HydrophobicContact CG2-CD2 3.91Å; T193-Y196 HydrophobicContact CG2-CE2 3.9Å; T193-Y196 WeakPolarHBondContact O-CB 3.34Å; T193-Y196 PolarHBondContact O-N 2.88Å; N194-Y196 PolarHBondContact O-N 2.91Å; Y196-P209 HydrophobicContact CD1-CG 4.09Å; Y196-P209 HydrophobicContact CE1-CG 3.94Å; Y196-Q212 VanDerWaalsContact CZ-NE2 3.32Å; Y196-Q212 VanDerWaalsContact OH-CD 3.29Å; Y196-Q212 VanDerWaalsContact OH-CG 3.32Å; Y196-Q212 WeakPolarHBondContact OH-CG 3.49Å; Y196-Q212 PolarHBondContact OH-NE2 2.92Å; Y196-F213 AromaticContact CD1-CE2 3.79Å; Y196-F213 HydrophobicContact CD1-CE2 3.79Å; Y196-F213 AromaticContact CD1-CZ 3.79Å; Y196-F213 HydrophobicContact CD1-CZ 3.79Å; Y196-F213 HydrophobicContact CD2-CZ 4.31Å; Y196-F213 AromaticContact CE1-CD2 3.95Å; Y196-F213 HydrophobicContact CE1-CD2 3.95Å; Y196-F213 HydrophobicContact CE1-CE1 4.13Å; Y196-F213 AromaticContact CE1-CE2 3.24Å; Y196-F213 HydrophobicContact CE1-CE2 3.24Å; Y196-F213 AromaticContact CE1-CZ 3.36Å; Y196-F213 HydrophobicContact CE1-CZ 3.36Å; Y196-F213 HydrophobicContact CE2-CE1 4.11Å; Y196-F213 AromaticContact CE2-CZ 3.92Å; Y196-F213 HydrophobicContact CE2-CZ 3.92Å; Y196-F213 HydrophobicContact CG-CZ 4.25Å; Y196-F213 AromaticContact CZ-CE1 3.72Å; Y196-F213 AromaticContact CZ-CE2 3.71Å; Y196-F213 AromaticContact CZ-CZ 3.41Å; Y196-F213 VanDerWaalsContact CZ-CZ 3.41Å; Y196-F250 HydrophobicContact CD2-CD2 4.21Å; Y196-F250 HydrophobicContact CD2-CE1 4.13Å; Y196-F250 AromaticContact CD2-CE2 3.52Å; Y196-F250 HydrophobicContact CD2-CE2 3.52Å; Y196-F250 AromaticContact CD2-CZ 3.52Å; Y196-F250 HydrophobicContact CD2-CZ 3.52Å; Y196-F250 HydrophobicContact CE2-CE2 4.39Å; Y196-F250 HydrophobicContact CE2-CZ 4.47Å; Y196-F250 HydrophobicContact CG-CD2 4.37Å; Y196-F250 HydrophobicContact CG-CE2 4.13Å; Y196-F250 HydrophobicContact CG-CZ 4.26Å; Y196-F250 WeakPolarHBondContact O-CA 3.39Å; Y196-T251 PolarHBondContact O-N 2.96Å; Y196-T251 VanDerWaalsContact O-N 3.15Å; Y196-F254 VanDerWaalsContact CA-CD2 3.46Å; Y196-F254 HydrophobicContact CD1-CB 4.02Å; Y196-F254 HydrophobicContact CD1-CD1 4.18Å; Y196-F254 HydrophobicContact CD1-CD2 4.02Å; Y196-F254 HydrophobicContact CD1-CE2 4.49Å; Y196-F254 AromaticContact CD1-CG 3.83Å; Y196-F254 HydrophobicContact CD1-CG 3.83Å; Y196-F254 HydrophobicContact CG-CB 4.01Å; Y196-F254 HydrophobicContact CG-CD2 4.36Å; Y196-F254 HydrophobicContact CG-CG 4.24Å
197Y98.7Very high97.2Very high11 Ų1144.1 Ų44.14%0.04321%0.211CC..BIsolated β-bridgetrans-68.1134.5-173.1-166.1-153.3000111.9N134 N194 Q199 N200 I236 W249N134-Y197 HydrophobicContact CB-CD1 4.38Å; N194-Y197 WeakPolarHBondContact O-CB 3.37Å; N194-Y197 PolarHBondContact O-N 2.94Å; Y197-Q199 HydrophobicContact CD1-CB 3.74Å; Y197-Q199 HydrophobicContact CD1-CG 4.22Å; Y197-Q199 HydrophobicContact CE1-CB 3.6Å; Y197-Q199 HydrophobicContact CE1-CG 3.65Å; Y197-Q199 HydrophobicContact CE2-CG 4.3Å; Y197-Q199 HydrophobicContact CG-CB 4.38Å; Y197-Q199 PolarHBondContact O-N 3.41Å; Y197-Q199 VanDerWaalsContact O-N 3.08Å; Y197-Q199 VanDerWaalsContact OH-CD 3.29Å; Y197-Q199 PolarHBondContact OH-NE2 2.93Å; Y197-N200 WeakPolarHBondContact O-CB 3.38Å; Y197-N200 PolarHBondContact O-N 3.33Å; Y197-I236 HydrophobicContact CD1-CD1 3.86Å; Y197-I236 HydrophobicContact CD2-CD1 3.71Å; Y197-I236 HydrophobicContact CE1-CD1 4.47Å; Y197-I236 HydrophobicContact CE2-CD1 4.33Å; Y197-I236 HydrophobicContact CG-CD1 3.46Å; Y197-I236 VanDerWaalsContact CG-CD1 3.46Å; Y197-W249 CarbonylContact C-O 3.56Å; Y197-W249 HydrophobicContact CD2-CB 3.85Å; Y197-W249 WeakPolarHBondContact CD2-O 3.41Å; Y197-W249 HydrophobicContact CE2-CB 3.82Å; Y197-W249 HydrophobicContact CE2-CD2 4.3Å; Y197-W249 AromaticContact CE2-CE3 3.8Å; Y197-W249 HydrophobicContact CE2-CE3 3.8Å; Y197-W249 HydrophobicContact CE2-CG 4.37Å
198Y97.8Very high97.3Very high104 Ų10443.7 Ų43.741%0.40821%0.211SC..THydrogen-bonded Turntrans-62.3-20.8-17983.6-90.3000113.5W249Y198-W249 WeakPolarHBondContact CD1-O 3.42Å; Y198-W249 HydrophobicContact CE1-CE3 4.07Å; Y198-W249 PolarHBondContact N-O 2.72Å
199Q97.8Very high97.3Very high74 Ų7443.5 Ų43.535%0.34621%0.21SC..THydrogen-bonded Turntrans-86-11.7176.2-58.1-173.7-3.400113.4Q142 Y197 K201Q142-Q199 PolarHBondContact NE2-O 2.81Å; Y197-Q199 HydrophobicContact CD1-CB 3.74Å; Y197-Q199 HydrophobicContact CD1-CG 4.22Å; Y197-Q199 HydrophobicContact CE1-CB 3.6Å; Y197-Q199 HydrophobicContact CE1-CG 3.65Å; Y197-Q199 HydrophobicContact CE2-CG 4.3Å; Y197-Q199 HydrophobicContact CG-CB 4.38Å; Y197-Q199 PolarHBondContact O-N 3.41Å; Y197-Q199 VanDerWaalsContact O-N 3.08Å; Y197-Q199 VanDerWaalsContact OH-CD 3.29Å; Y197-Q199 PolarHBondContact OH-NE2 2.93Å; Q199-K201 PolarHBondContact O-N 3.37Å
200N98.5Very high97.3Very high0 Ų044.6 Ų44.60%022%0.219CC..  trans-79.5103.9179.3-170.6-12.1000109.8S141 L143 N194 Y197 E202 M204S141-N200 VanDerWaalsContact O-CA 3.31Å; S141-N200 WeakPolarHBondContact O-CA 3.13Å; S141-N200 WeakPolarHBondContact O-CB 3.48Å; L143-N200 PolarHBondContact O-ND2 3.48Å; N194-N200 PolarHBondContact O-ND2 3.22Å; N194-N200 VanDerWaalsContact O-ND2 3.07Å; Y197-N200 WeakPolarHBondContact O-CB 3.38Å; Y197-N200 PolarHBondContact O-N 3.33Å; N200-E202 VanDerWaalsContact C-N 3.3Å; N200-E202 WeakPolarHBondContact OD1-CB 3.43Å; N200-E202 PolarHBondContact OD1-N 2.93Å; N200-E202 VanDerWaalsContact OD1-N 3.1Å; N200-M204 VanDerWaalsContact O-CG 3.31Å; N200-M204 WeakPolarHBondContact O-CG 3.39Å
201K97.7Very high97.2Very high146 Ų14646 Ų4664%0.63523%0.233SC*.THydrogen-bonded Turntrans-77.5-19.4-177-64.5177.1-177.8171.40112.9Q199 T203 M204Q199-K201 PolarHBondContact O-N 3.37Å; K201-T203 PolarHBondContact O-N 2.83Å; K201-M204 HydrophobicContact CB-CE 3.88Å; K201-M204 HydrophobicContact CG-CE 3.86Å; K201-M204 HydrophobicContact CG-SD 4.35Å
202E97.1Very high97.2Very high112 Ų11246 Ų4652%0.52323%0.233SC..THydrogen-bonded Turntrans-67.7-23-180-57.3-59135.100112.1Q142 N200Q142-E202 HydrophobicContact CB-CG 4.24Å; N200-E202 VanDerWaalsContact C-N 3.3Å; N200-E202 WeakPolarHBondContact OD1-CB 3.43Å; N200-E202 PolarHBondContact OD1-N 2.93Å; N200-E202 VanDerWaalsContact OD1-N 3.1Å
203T97.1Very high97.2Very high1 Ų146 Ų461%0.00623%0.234CC..SBendtrans-119.9-1.8-171.561.50000114.9P145 L195 K201 N205 D206 P209P145-T203 HydrophobicContact CB-CG2 4.15Å; P145-T203 HydrophobicContact CG-CG2 4.15Å; L195-T203 HydrophobicContact CB-CG2 4.28Å; L195-T203 HydrophobicContact CD2-CG2 3.86Å; L195-T203 VanDerWaalsContact O-CB 3.28Å; L195-T203 WeakPolarHBondContact O-CB 3.47Å; L195-T203 PolarHBondContact O-OG1 2.95Å; K201-T203 PolarHBondContact O-N 2.83Å; T203-N205 PolarHBondContact O-N 2.96Å; T203-N205 VanDerWaalsContact O-N 3.07Å; T203-D206 PolarHBondContact O-N 2.85Å; T203-P209 HydrophobicContact CG2-CB 3.63Å; T203-P209 HydrophobicContact CG2-CG 4.36Å
204M87.8Confident97.2Very high94 Ų9448.6 Ų48.646%0.46325%0.252SS..THydrogen-bonded Turntrans-55.6-33.1-173.3-71.7-172.5-5900114.4N200 K201N200-M204 VanDerWaalsContact O-CG 3.31Å; N200-M204 WeakPolarHBondContact O-CG 3.39Å; K201-M204 HydrophobicContact CB-CE 3.88Å; K201-M204 HydrophobicContact CG-CE 3.86Å; K201-M204 HydrophobicContact CG-SD 4.35Å
205N90.3Very high97.2Very high160 Ų16050.6 Ų50.686%0.85626%0.259SS*.THydrogen-bonded Turntrans-100.52-177.1-63.9-40.2000113.4T203T203-N205 PolarHBondContact O-N 2.96Å; T203-N205 VanDerWaalsContact O-N 3.07Å
206D95.6Very high97.2Very high59 Ų5950.6 Ų50.632%0.31626%0.259SS..  trans-87.8137179.6-159.3-31.4000110.5T203 D208 P209 K253 F254T203-D206 PolarHBondContact O-N 2.85Å; D206-D208 VanDerWaalsContact OD1-C 3.27Å; D206-D208 PolarHBondContact OD1-N 3.08Å; D206-P209 HydrophobicContact CB-CB 4.14Å; D206-P209 WeakPolarHBondContact OD2-CA 3.39Å; D206-K253 VanDerWaalsContact C-NZ 3.33Å; D206-K253 PolarHBondContact O-NZ 3.23Å; D206-F254 VanDerWaalsContact O-CE1 3.31Å; D206-F254 WeakPolarHBondContact O-CE1 3.31Å; D206-F254 VanDerWaalsContact O-CZ 3.26Å; D206-F254 WeakPolarHBondContact O-CZ 3.45Å
207D96.8Very high97.2Very high123 Ų12352.1 Ų52.166%0.65827%0.267SS*.SBendtrans-77.7-31.5173.4-74.2-31.8000112.6K253D207-K253 WeakPolarHBondContact OD1-CE 3.43Å; D207-K253 IonicContact OD1-NZ 2.95Å; D207-K253 PolarHBondContact OD1-NZ 3.21Å
208D98.4Very high97.2Very high29 Ų2958 Ų5816%0.15530%0.295CS..SBendtrans-149.474.7-177.7-170.98.3000110.3D206 A210 G211 Q212 F213 S214D206-D208 VanDerWaalsContact OD1-C 3.27Å; D206-D208 PolarHBondContact OD1-N 3.08Å; D208-A210 PolarHBondContact O-N 2.88Å; D208-G211 WeakPolarHBondContact O-CA 3.2Å; D208-G211 PolarHBondContact O-N 2.93Å; D208-Q212 PolarHBondContact OD1-N 3.43Å; D208-F213 WeakPolarHBondContact OD1-CA 3.33Å; D208-F213 VanDerWaalsContact OD1-CB 3.31Å; D208-F213 WeakPolarHBondContact OD1-CB 3.45Å; D208-F213 PolarHBondContact OD1-N 3.33Å; D208-S214 WeakPolarHBondContact OD2-CB 3.4Å; D208-S214 PolarHBondContact OD2-N 2.82Å; D208-S214 PolarHBondContact OD2-OG 3.34Å
209P98.5Very high97.2Very high0 Ų053.9 Ų53.90%028%0.281CS..G310 helixtrans-58128.5-175.623.1-32.9000111.6P145 L195 Y196 T203 D206 G211 Q212 F254P145-P209 HydrophobicContact CB-CB 3.85Å; L195-P209 HydrophobicContact CB-CB 4.11Å; L195-P209 HydrophobicContact CB-CG 3.94Å; L195-P209 HydrophobicContact CD1-CB 4.39Å; Y196-P209 HydrophobicContact CD1-CG 4.09Å; Y196-P209 HydrophobicContact CE1-CG 3.94Å; T203-P209 HydrophobicContact CG2-CB 3.63Å; T203-P209 HydrophobicContact CG2-CG 4.36Å; D206-P209 HydrophobicContact CB-CB 4.14Å; D206-P209 WeakPolarHBondContact OD2-CA 3.39Å; P209-G211 PolarHBondContact O-N 3.3Å; P209-Q212 WeakPolarHBondContact O-CB 3.45Å; P209-Q212 PolarHBondContact O-N 3.18Å; P209-F254 HydrophobicContact CG-CE1 4.29Å; P209-F254 HydrophobicContact CG-CZ 4.07Å
210A98.3Very high97.3Very high23 Ų2350.4 Ų50.419%0.1926%0.264CS..G310 helixtrans57.818.2-172.900000114.6P145 Y175 L195 D208 Q212P145-A210 HydrophobicContact CB-CB 4.22Å; Y175-A210 HydrophobicContact CE1-CB 3.86Å; Y175-A210 WeakPolarHBondContact CE1-O 3.43Å; Y175-A210 PolarHBondContact OH-O 3.29Å; L195-A210 HydrophobicContact CD1-CB 3.87Å; D208-A210 PolarHBondContact O-N 2.88Å; A210-Q212 PolarHBondContact O-N 3.45Å
211G98.5Very high97.3Very high29 Ų2952.8 Ų52.830%0.29928%0.279SS..G310 helixtrans64.417.5-175.800000113.9D208 P209 F213 S214 W215D208-G211 WeakPolarHBondContact O-CA 3.2Å; D208-G211 PolarHBondContact O-N 2.93Å; P209-G211 PolarHBondContact O-N 3.3Å; G211-F213 PolarHBondContact O-N 3.44Å; G211-S214 PolarHBondContact O-N 3.01Å; G211-W215 WeakPolarHBondContact O-CB 3.12Å; G211-W215 PolarHBondContact O-N 2.88Å
212Q98.8Very high97.3Very high0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-67.1-36.9-167.5-174.5175.4-157.500113.3Y175 L191 N192 Y196 D208 P209 A210 W215 L216Y175-Q212 VanDerWaalsContact CB-OE1 3.3Å; Y175-Q212 HydrophobicContact CD1-CB 3.83Å; Y175-Q212 HydrophobicContact CD1-CG 3.63Å; Y175-Q212 HydrophobicContact CD2-CG 4.5Å; Y175-Q212 HydrophobicContact CE1-CB 3.66Å; Y175-Q212 HydrophobicContact CE1-CG 3.94Å; Y175-Q212 HydrophobicContact CG-CG 3.94Å; L191-Q212 VanDerWaalsContact CA-OE1 3.27Å; N192-Q212 PolarHBondContact O-NE2 3.43Å; Y196-Q212 VanDerWaalsContact CZ-NE2 3.32Å; Y196-Q212 VanDerWaalsContact OH-CD 3.29Å; Y196-Q212 VanDerWaalsContact OH-CG 3.32Å; Y196-Q212 WeakPolarHBondContact OH-CG 3.49Å; Y196-Q212 PolarHBondContact OH-NE2 2.92Å; D208-Q212 PolarHBondContact OD1-N 3.43Å; P209-Q212 WeakPolarHBondContact O-CB 3.45Å; P209-Q212 PolarHBondContact O-N 3.18Å; A210-Q212 PolarHBondContact O-N 3.45Å; Q212-W215 HydrophobicContact CG-CE3 4.32Å; Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 3.04Å
213F98.8Very high97.4Very high1 Ų142.5 Ų42.50%0.00424%0.24CC..Hα-helixtrans-68.1-41.7175.1-72.2-61000111.7Y196 D208 G211 L216 D217 F254 R257 L261Y196-F213 AromaticContact CD1-CE2 3.79Å; Y196-F213 HydrophobicContact CD1-CE2 3.79Å; Y196-F213 AromaticContact CD1-CZ 3.79Å; Y196-F213 HydrophobicContact CD1-CZ 3.79Å; Y196-F213 HydrophobicContact CD2-CZ 4.31Å; Y196-F213 AromaticContact CE1-CD2 3.95Å; Y196-F213 HydrophobicContact CE1-CD2 3.95Å; Y196-F213 HydrophobicContact CE1-CE1 4.13Å; Y196-F213 AromaticContact CE1-CE2 3.24Å; Y196-F213 HydrophobicContact CE1-CE2 3.24Å; Y196-F213 AromaticContact CE1-CZ 3.36Å; Y196-F213 HydrophobicContact CE1-CZ 3.36Å; Y196-F213 HydrophobicContact CE2-CE1 4.11Å; Y196-F213 AromaticContact CE2-CZ 3.92Å; Y196-F213 HydrophobicContact CE2-CZ 3.92Å; Y196-F213 HydrophobicContact CG-CZ 4.25Å; Y196-F213 AromaticContact CZ-CE1 3.72Å; Y196-F213 AromaticContact CZ-CE2 3.71Å; Y196-F213 AromaticContact CZ-CZ 3.41Å; Y196-F213 VanDerWaalsContact CZ-CZ 3.41Å; D208-F213 WeakPolarHBondContact OD1-CA 3.33Å; D208-F213 VanDerWaalsContact OD1-CB 3.31Å; D208-F213 WeakPolarHBondContact OD1-CB 3.45Å; D208-F213 PolarHBondContact OD1-N 3.33Å; G211-F213 PolarHBondContact O-N 3.44Å; F213-L216 PolarHBondContact O-N 3.16Å; F213-D217 WeakPolarHBondContact O-CB 3.48Å; F213-D217 PolarHBondContact O-N 3.36Å; F213-F254 HydrophobicContact CE2-CB 4.3Å; F213-F254 AromaticContact CE2-CD1 3.59Å; F213-F254 HydrophobicContact CE2-CD1 3.59Å; F213-F254 HydrophobicContact CE2-CE1 4.28Å; F213-F254 HydrophobicContact CE2-CG 4.26Å; F213-F254 HydrophobicContact CZ-CB 4.04Å; F213-F254 HydrophobicContact CZ-CD1 4.21Å; F213-F254 HydrophobicContact CZ-CG 4.48Å; F213-R257 HydrophobicContact CB-CG 4.15Å; F213-R257 HydrophobicContact CD1-CB 4.33Å; F213-R257 HydrophobicContact CD1-CG 3.6Å; F213-R257 HydrophobicContact CD2-CB 4.44Å; F213-R257 HydrophobicContact CD2-CG 3.75Å; F213-R257 HydrophobicContact CE1-CB 4Å; F213-R257 HydrophobicContact CE1-CG 3.79Å; F213-R257 HydrophobicContact CE2-CB 4.14Å; F213-R257 HydrophobicContact CE2-CG 3.95Å; F213-R257 HydrophobicContact CG-CG 3.57Å; F213-R257 HydrophobicContact CZ-CB 3.89Å; F213-R257 HydrophobicContact CZ-CG 3.96Å; F213-L261 HydrophobicContact CB-CD1 4.28Å; F213-L261 HydrophobicContact CD1-CD1 3.65Å; F213-L261 HydrophobicContact CG-CD1 4.44Å
214S98.8Very high97.4Very high54 Ų5444.9 Ų44.938%0.37826%0.257SS..Hα-helixtrans-63.7-44.6175.1-63.50000111.1D208 G211 D217 Q218D208-S214 WeakPolarHBondContact OD2-CB 3.4Å; D208-S214 PolarHBondContact OD2-N 2.82Å; D208-S214 PolarHBondContact OD2-OG 3.34Å; G211-S214 PolarHBondContact O-N 3.01Å; S214-D217 PolarHBondContact O-N 2.59Å; S214-Q218 WeakPolarHBondContact O-CB 3.46Å; S214-Q218 VanDerWaalsContact O-CG 3.23Å; S214-Q218 WeakPolarHBondContact O-CG 3.32Å; S214-Q218 PolarHBondContact O-N 2.94Å
215W98.8Very high97.9Very high42 Ų4246.2 Ų46.216%0.15927%0.266CS..Hα-helixtrans-60.6-43.7174.2169.286000112Y175 Y176 T177 L189 L191 G211 Q212 Q218 T219Y175-W215 AromaticContact CD2-CD2 3.62Å; Y175-W215 HydrophobicContact CD2-CD2 3.62Å; Y175-W215 AromaticContact CD2-CE2 3.78Å; Y175-W215 AromaticContact CD2-CE3 3.56Å; Y175-W215 HydrophobicContact CD2-CE3 3.56Å; Y175-W215 HydrophobicContact CD2-CG 4.29Å; Y175-W215 AromaticContact CD2-CH2 3.87Å; Y175-W215 HydrophobicContact CD2-CH2 3.87Å; Y175-W215 AromaticContact CD2-CZ2 3.92Å; Y175-W215 HydrophobicContact CD2-CZ2 3.92Å; Y175-W215 AromaticContact CD2-CZ3 3.7Å; Y175-W215 HydrophobicContact CD2-CZ3 3.7Å; Y175-W215 HydrophobicContact CE2-CB 4.12Å; Y175-W215 AromaticContact CE2-CD1 3.91Å; Y175-W215 AromaticContact CE2-CD2 3.37Å; Y175-W215 HydrophobicContact CE2-CD2 3.37Å; Y175-W215 AromaticContact CE2-CE2 3.71Å; Y175-W215 AromaticContact CE2-CE3 3.71Å; Y175-W215 HydrophobicContact CE2-CE3 3.71Å; Y175-W215 AromaticContact CE2-CG 3.54Å; Y175-W215 HydrophobicContact CE2-CG 3.54Å; Y175-W215 HydrophobicContact CE2-CZ2 4.31Å; Y175-W215 HydrophobicContact CE2-CZ3 4.31Å; Y175-W215 AromaticContact CE2-NE1 3.99Å; Y175-W215 HydrophobicContact CG-CE3 4.37Å; Y175-W215 HydrophobicContact CG-CZ3 4.35Å; Y176-W215 WeakPolarHBondContact O-CH2 3.49Å; T177-W215 HydrophobicContact CG2-CZ2 3.98Å; L189-W215 HydrophobicContact CD2-CH2 3.57Å; L189-W215 HydrophobicContact CD2-CZ2 4.06Å; L189-W215 HydrophobicContact CD2-CZ3 4.2Å; L191-W215 HydrophobicContact CD2-CZ3 3.75Å; G211-W215 WeakPolarHBondContact O-CB 3.12Å; G211-W215 PolarHBondContact O-N 2.88Å; Q212-W215 HydrophobicContact CG-CE3 4.32Å; W215-Q218 PolarHBondContact O-N 2.83Å; W215-T219 VanDerWaalsContact O-CB 3.3Å; W215-T219 WeakPolarHBondContact O-CB 3.43Å; W215-T219 PolarHBondContact O-N 3.38Å; W215-T219 PolarHBondContact O-OG1 3.03Å
216L98.8Very high98.3Very high1 Ų143.6 Ų43.61%0.00525%0.252CS..Hα-helixtrans-62.8-46.1178.5178.556.5000111.2L189 L191 Q212 F213 T219 L220 L261L189-L216 HydrophobicContact CD1-CD1 3.66Å; L191-L216 HydrophobicContact CD1-CD2 4.23Å; L191-L216 HydrophobicContact CD2-CD1 4.13Å; L191-L216 HydrophobicContact CD2-CD2 4.35Å; Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 3.04Å; F213-L216 PolarHBondContact O-N 3.16Å; L216-T219 PolarHBondContact O-N 2.98Å; L216-L220 HydrophobicContact CD1-CD1 3.57Å; L216-L220 HydrophobicContact CD1-CG 3.97Å; L216-L220 HydrophobicContact CG-CD1 3.86Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.15Å; L216-L261 HydrophobicContact CB-CD1 4.3Å; L216-L261 HydrophobicContact CD2-CD1 3.76Å; L216-L261 HydrophobicContact CG-CD1 4.04Å
217D98.9Very high98.3Very high31 Ų3149.4 Ų49.417%0.16628%0.275CS..Hα-helixtrans-60.2-46.7176.9-168.418000111.7F213 S214 T221 L261 K264 H265F213-D217 WeakPolarHBondContact O-CB 3.48Å; F213-D217 PolarHBondContact O-N 3.36Å; S214-D217 PolarHBondContact O-N 2.59Å; D217-T221 VanDerWaalsContact O-CB 3.29Å; D217-T221 WeakPolarHBondContact O-CB 3.02Å; D217-T221 PolarHBondContact O-N 3.25Å; D217-T221 PolarHBondContact O-OG1 2.85Å; D217-L261 HydrophobicContact CB-CD2 3.66Å; D217-K264 WeakPolarHBondContact OD1-CE 3.38Å; D217-K264 IonicContact OD1-NZ 3.31Å; D217-K264 PolarHBondContact OD1-NZ 3.42Å; D217-K264 IonicContact OD2-NZ 2.73Å; D217-K264 PolarHBondContact OD2-NZ 3.02Å; D217-H265 IonicContact OD1-CD2 3.4Å; D217-H265 IonicContact OD1-CE1 2.73Å; D217-H265 PolarHBondContact OD1-CE1 3.35Å; D217-H265 IonicContact OD1-NE2 3.18Å; D217-H265 PolarHBondContact OD1-NE2 3.25Å
218Q98.8Very high98.4Very high134 Ų13444.5 Ų44.563%0.62625%0.248SC*.Hα-helixtrans-63.9-43.8178.5-71.3171.82200111.7S214 W215 T221 A222S214-Q218 WeakPolarHBondContact O-CB 3.46Å; S214-Q218 VanDerWaalsContact O-CG 3.23Å; S214-Q218 WeakPolarHBondContact O-CG 3.32Å; S214-Q218 PolarHBondContact O-N 2.94Å; W215-Q218 PolarHBondContact O-N 2.83Å; Q218-T221 PolarHBondContact O-N 3.36Å; Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 2.91Å
219T98.5Very high98.3Very high18 Ų1846.5 Ų46.511%0.1126%0.255CS..Hα-helixtrans-68.5-41.7-177.9-55.10000111.6T177 L189 W215 L216 A222 A223T177-T219 HydrophobicContact CG2-CG2 4.25Å; L189-T219 HydrophobicContact CD2-CG2 3.53Å; W215-T219 VanDerWaalsContact O-CB 3.3Å; W215-T219 WeakPolarHBondContact O-CB 3.43Å; W215-T219 PolarHBondContact O-N 3.38Å; W215-T219 PolarHBondContact O-OG1 3.03Å; L216-T219 PolarHBondContact O-N 2.98Å; T219-A222 PolarHBondContact O-N 2.96Å; T219-A223 WeakPolarHBondContact O-CB 3.41Å; T219-A223 PolarHBondContact O-N 3.2Å
220L98.8Very high98.3Very high1 Ų146.5 Ų46.51%0.00526%0.255CS..Hα-helixtrans-68.4-35.9174.7-72.4167.8000112.3L189 L216 A222 A223 S224 V230 H265 V268 I269L189-L220 HydrophobicContact CD1-CD2 3.53Å; L189-L220 HydrophobicContact CD1-CG 3.83Å; L216-L220 HydrophobicContact CD1-CD1 3.57Å; L216-L220 HydrophobicContact CD1-CG 3.97Å; L216-L220 HydrophobicContact CG-CD1 3.86Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.15Å; L220-A222 VanDerWaalsContact C-N 3.35Å; L220-A223 WeakPolarHBondContact O-CB 3.35Å; L220-A223 PolarHBondContact O-N 3.46Å; L220-S224 PolarHBondContact O-N 2.84Å; L220-V230 HydrophobicContact CD2-CB 4.41Å; L220-V230 HydrophobicContact CD2-CG1 4.07Å; L220-V230 HydrophobicContact CD2-CG2 4.28Å; L220-H265 HydrophobicContact CB-CB 3.91Å; L220-H265 VanDerWaalsContact CB-CG 3.5Å; L220-H265 HydrophobicContact CD1-CB 3.85Å; L220-H265 HydrophobicContact CD2-CB 4.42Å; L220-H265 HydrophobicContact CG-CB 4.29Å; L220-V268 HydrophobicContact CD2-CG2 4.13Å; L220-I269 HydrophobicContact CD1-CD1 4.21Å; L220-I269 HydrophobicContact CD2-CD1 4.24Å; L220-I269 HydrophobicContact CD2-CG1 3.89Å
221T98.8Very high98.4Very high51 Ų5145.5 Ų45.531%0.31325%0.246SC..Hα-helixtrans-61.4-45.1172.1-59.80000110.9D217 Q218 S224 N225 H265D217-T221 VanDerWaalsContact O-CB 3.29Å; D217-T221 WeakPolarHBondContact O-CB 3.02Å; D217-T221 PolarHBondContact O-N 3.25Å; D217-T221 PolarHBondContact O-OG1 2.85Å; Q218-T221 PolarHBondContact O-N 3.36Å; T221-S224 WeakPolarHBondContact O-CB 3.35Å; T221-S224 PolarHBondContact O-N 2.72Å; T221-N225 PolarHBondContact O-N 3.21Å; T221-N225 PolarHBondContact O-ND2 2.73Å; T221-H265 PolarHBondContact OG1-CE1 2.72Å; T221-H265 VanDerWaalsContact OG1-CE1 3.31Å
222A98.3Very high98.4Very high41 Ų4144.1 Ų44.134%0.33923%0.232SC..Hα-helixtrans-62.9-43.3176.100000111.7Q218 T219 L220 S224 N225 N226Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 2.91Å; T219-A222 PolarHBondContact O-N 2.96Å; L220-A222 VanDerWaalsContact C-N 3.35Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 2.71Å; A222-N225 PolarHBondContact O-N 2.86Å; A222-N226 WeakPolarHBondContact O-CB 3.41Å; A222-N226 VanDerWaalsContact O-CG 3.29Å; A222-N226 PolarHBondContact O-N 3.32Å; A222-N226 PolarHBondContact O-ND2 3.34Å
223A98.3Very high98.4Very high0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-56.9-45.2174.200000111.5T219 L220 N226 K227 E228 V230T219-A223 WeakPolarHBondContact O-CB 3.41Å; T219-A223 PolarHBondContact O-N 3.2Å; L220-A223 WeakPolarHBondContact O-CB 3.35Å; L220-A223 PolarHBondContact O-N 3.46Å; A223-N226 CarbonylContact O-C 3.5Å; A223-N226 PolarHBondContact O-N 2.99Å; A223-K227 PolarHBondContact O-N 3.25Å; A223-E228 HydrophobicContact CB-CB 3.95Å; A223-E228 PolarHBondContact O-N 3.07Å; A223-V230 HydrophobicContact CB-CG2 3.75Å
224S98.1Very high98.4Very high51 Ų5144 Ų4436%0.35723%0.232SC..Hα-helixtrans-60.1-48.4175.4-173.70000112.8L220 T221 A222 N226 K227L220-S224 PolarHBondContact O-N 2.84Å; T221-S224 WeakPolarHBondContact O-CB 3.35Å; T221-S224 PolarHBondContact O-N 2.72Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 2.71Å; S224-N226 PolarHBondContact O-N 2.96Å; S224-K227 PolarHBondContact O-N 3.4Å
225N98.1Very high98.4Very high122 Ų12241.5 Ų41.565%0.65221%0.214SC*.Hα-helixtrans-60.8-35.7177.3-69.1-24.1000112.4T221 A222 K227T221-N225 PolarHBondContact O-N 3.21Å; T221-N225 PolarHBondContact O-ND2 2.73Å; A222-N225 PolarHBondContact O-N 2.86Å; N225-K227 VanDerWaalsContact C-N 3.33Å
226N97.4Very high98.4Very high105 Ų10539.5 Ų39.556%0.56121%0.206SC*.THydrogen-bonded Turntrans-88.62.7179.3-65.8-24.1000113.5A222 A223 S224 E228A222-N226 WeakPolarHBondContact O-CB 3.41Å; A222-N226 VanDerWaalsContact O-CG 3.29Å; A222-N226 PolarHBondContact O-N 3.32Å; A222-N226 PolarHBondContact O-ND2 3.34Å; A223-N226 CarbonylContact O-C 3.5Å; A223-N226 PolarHBondContact O-N 2.99Å; S224-N226 PolarHBondContact O-N 2.96Å; N226-E228 HydrophobicContact CB-CG 3.9Å; N226-E228 PolarHBondContact O-N 3.08Å
227K96.6Very high98.4Very high181 Ų18139.4 Ų39.479%0.78721%0.206SC*.THydrogen-bonded Turntrans56.433.5-177.5-53.8176.1-178.8176.70113.3A223 S224 N225A223-K227 PolarHBondContact O-N 3.25Å; S224-K227 PolarHBondContact O-N 3.4Å; N225-K227 VanDerWaalsContact C-N 3.33Å
228E97.8Very high98.4Very high21 Ų2138 Ų3810%0.09820%0.198CC..  trans-76.3159.3176.9-61.9178.4174.700111.6G185 R187 A223 N226 V268G185-E228 CarbonylContact O-C 3.46Å; G185-E228 WeakPolarHBondContact O-CA 3.23Å; R187-E228 IonicContact CZ-OE2 3.22Å; R187-E228 IonicContact NE-OE2 3.22Å; R187-E228 PolarHBondContact NE-OE2 3.29Å; R187-E228 IonicContact NH2-OE1 2.87Å; R187-E228 PolarHBondContact NH2-OE1 3.2Å; R187-E228 IonicContact NH2-OE2 3.55Å; R187-E228 PolarHBondContact NH2-OE2 3.36Å; A223-E228 HydrophobicContact CB-CB 3.95Å; A223-E228 PolarHBondContact O-N 3.07Å; N226-E228 HydrophobicContact CB-CG 3.9Å; N226-E228 PolarHBondContact O-N 3.08Å; E228-V268 WeakPolarHBondContact O-CG1 3.29Å
229K97.8Very high98.4Very high70 Ų7031.7 Ų31.730%0.30417%0.169SC..EExtended strand (participates in β ladder)trans-112.4137.1170.3-59.9-58.5-175179.50109.3G185 Y186 R187 I270 L331G185-K229 PolarHBondContact O-N 3.32Å; Y186-K229 WeakPolarHBondContact CA-O 3.41Å; Y186-K229 HydrophobicContact CD1-CB 4.06Å; Y186-K229 HydrophobicContact CE1-CB 4.43Å; Y186-K229 HydrophobicContact CE1-CG 4.46Å; R187-K229 PolarHBondContact N-O 3.01Å; K229-I270 HydrophobicContact CB-CG1 3.97Å; K229-I270 HydrophobicContact CD-CD1 3.85Å; K229-I270 HydrophobicContact CD-CG1 3.88Å; K229-I270 HydrophobicContact CG-CG1 4.39Å; K229-L331 HydrophobicContact CB-CB 4.36Å; K229-L331 HydrophobicContact CB-CD1 3.68Å; K229-L331 HydrophobicContact CB-CG 3.92Å
230V98.6Very high98.4Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-126.8131-164.9-174.10000111.4R187 L189 L220 A223 I232 V268 I270R187-V230 HydrophobicContact CB-CG2 4.3Å; R187-V230 WeakPolarHBondContact O-CA 3.45Å; L189-V230 HydrophobicContact CB-CG1 4.5Å; L189-V230 HydrophobicContact CD1-CG1 3.5Å; L189-V230 VanDerWaalsContact CD1-CG1 3.5Å; L189-V230 HydrophobicContact CG-CG1 3.84Å; L220-V230 HydrophobicContact CD2-CB 4.41Å; L220-V230 HydrophobicContact CD2-CG1 4.07Å; L220-V230 HydrophobicContact CD2-CG2 4.28Å; A223-V230 HydrophobicContact CB-CG2 3.75Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; V230-V268 WeakPolarHBondContact CB-O 3.03Å; V230-V268 HydrophobicContact CG2-CB 4.29Å; V230-V268 HydrophobicContact CG2-CG2 4.33Å; V230-V268 PolarHBondContact N-O 2.96Å; V230-I270 PolarHBondContact O-N 2.93Å
231Y98.9Very high98.4Very high2 Ų231.5 Ų31.51%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-98.8140.5158.4-71-27.3000110.5F23 F87 L180 R187 V188 L189 I270 G271 F273 Y326 L331 V333F23-Y231 HydrophobicContact CE1-CE2 4.07Å; F23-Y231 HydrophobicContact CZ-CE2 4.32Å; F87-Y231 HydrophobicContact CZ-CD2 4.34Å; F87-Y231 HydrophobicContact CZ-CE2 4.08Å; L180-Y231 HydrophobicContact CD2-CD2 3.82Å; L180-Y231 HydrophobicContact CD2-CE2 3.96Å; R187-Y231 PolarHBondContact O-N 3.32Å; V188-Y231 CarbonylContact C-O 3.53Å; V188-Y231 WeakPolarHBondContact CA-O 3.32Å; L189-Y231 PolarHBondContact N-O 3.39Å; Y231-I270 HydrophobicContact CD1-CB 4.44Å; Y231-I270 HydrophobicContact CE1-CB 4.19Å; Y231-I270 HydrophobicContact CE1-CG2 4.43Å; Y231-G271 WeakPolarHBondContact CA-O 2.99Å; Y231-F273 AromaticContact CD1-CE2 3.65Å; Y231-F273 HydrophobicContact CD1-CE2 3.65Å; Y231-F273 HydrophobicContact CD1-CZ 4.09Å; Y231-F273 AromaticContact CD2-CE2 3.99Å; Y231-F273 HydrophobicContact CD2-CE2 3.99Å; Y231-F273 HydrophobicContact CE1-CE2 4.05Å; Y231-F273 HydrophobicContact CE1-CZ 4.01Å; Y231-F273 HydrophobicContact CE2-CE2 4.37Å; Y231-F273 HydrophobicContact CE2-CZ 4.47Å; Y231-F273 AromaticContact CG-CE2 3.61Å; Y231-F273 HydrophobicContact CG-CE2 3.61Å; Y231-F273 HydrophobicContact CG-CZ 4.35Å; Y231-Y326 WeakPolarHBondContact OH-CB 3.23Å; Y231-L331 HydrophobicContact CE1-CB 3.85Å; Y231-L331 HydrophobicContact CE1-CD1 4.47Å; Y231-L331 VanDerWaalsContact CE1-O 3.26Å; Y231-L331 WeakPolarHBondContact CE1-O 3.46Å; Y231-L331 HydrophobicContact CE2-CB 4.49Å; Y231-L331 HydrophobicContact CE2-CD1 4.45Å; Y231-L331 VanDerWaalsContact CZ-O 3.28Å; Y231-L331 PolarHBondContact OH-O 3.18Å; Y231-V333 HydrophobicContact CE1-CG2 4.47Å
232I98.9Very high98.4Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-110.5131.9172.5-59.1178.4000108.4L189 L191 V230 I262 I269 G271 Q272 F273 F274L189-I232 HydrophobicContact CB-CG1 4.35Å; L189-I232 HydrophobicContact CD1-CG1 4.25Å; L189-I232 WeakPolarHBondContact O-CA 3.34Å; L191-I232 HydrophobicContact CD1-CG2 3.54Å; L191-I232 HydrophobicContact CG-CG2 3.95Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; I232-I262 HydrophobicContact CD1-CD1 3.85Å; I232-I269 HydrophobicContact CD1-CD1 3.79Å; I232-I269 HydrophobicContact CD1-CG1 4Å; I232-I269 HydrophobicContact CD1-CG2 3.99Å; I232-I269 HydrophobicContact CG1-CG2 4.3Å; I232-G271 PolarHBondContact N-O 3.03Å; I232-Q272 HydrophobicContact CB-CG 4.19Å; I232-Q272 CarbonylContact O-C 3.46Å; I232-Q272 VanDerWaalsContact O-CA 3.22Å; I232-Q272 WeakPolarHBondContact O-CA 3.15Å; I232-F273 PolarHBondContact O-N 3.5Å; I232-F274 HydrophobicContact CG2-CE2 4.3Å; I232-F274 HydrophobicContact CG2-CZ 4.41Å
233I98.9Very high98.4Very high0 Ų028.6 Ų28.60%014%0.142CC..EExtended strand (participates in β ladder)trans-127.5143.6174.428.7169.6000110V89 T91 V188 L189 V190 L191 F273V89-I233 HydrophobicContact CB-CG2 4.48Å; V89-I233 HydrophobicContact CG1-CB 4.4Å; V89-I233 HydrophobicContact CG1-CD1 4.43Å; V89-I233 HydrophobicContact CG1-CG2 3.39Å; V89-I233 HydrophobicContact CG2-CG2 4.26Å; T91-I233 HydrophobicContact CG2-CB 4.31Å; T91-I233 HydrophobicContact CG2-CG2 4.2Å; V188-I233 HydrophobicContact CG2-CD1 3.44Å; V188-I233 VanDerWaalsContact CG2-CD1 3.44Å; V188-I233 HydrophobicContact CG2-CG1 3.46Å; V188-I233 VanDerWaalsContact CG2-CG1 3.46Å; L189-I233 WeakPolarHBondContact O-CG1 3.1Å; L189-I233 PolarHBondContact O-N 2.84Å; V190-I233 WeakPolarHBondContact CA-O 3.49Å; V190-I233 HydrophobicContact CB-CD1 4.32Å; V190-I233 HydrophobicContact CB-CG1 4.32Å; V190-I233 HydrophobicContact CG1-CD1 4.23Å; V190-I233 HydrophobicContact CG1-CG1 4.35Å; V190-I233 HydrophobicContact CG2-CD1 3.51Å; V190-I233 HydrophobicContact CG2-CG1 3.86Å; L191-I233 PolarHBondContact N-O 2.87Å; I233-F273 WeakPolarHBondContact CA-O 3.42Å; I233-F273 HydrophobicContact CG2-CB 3.68Å; I233-F273 HydrophobicContact CG2-CD2 4.04Å; I233-F273 HydrophobicContact CG2-CG 4.33Å; I233-F273 WeakPolarHBondContact CG2-O 3.41Å
234G98.9Very high98.4Very high0 Ų031.4 Ų31.40%016%0.155CC..  trans-164.9170.7176.500000109.6T91 F273 F274T91-G234 VanDerWaalsContact CG2-O 3.32Å; T91-G234 WeakPolarHBondContact CG2-O 3.09Å; G234-F273 PolarHBondContact N-O 3.25Å; G234-F274 VanDerWaalsContact C-CD1 3.49Å; G234-F274 VanDerWaalsContact O-CA 3.3Å; G234-F274 WeakPolarHBondContact O-CA 3.46Å; G234-F274 VanDerWaalsContact O-CD1 3.31Å; G234-F274 WeakPolarHBondContact O-CD1 3.26Å; G234-F274 WeakPolarHBondContact O-CG 3.18Å
235H98.9Very high98.3Very high0 Ų033.7 Ų33.70%016%0.155CC..SBendtrans-87.9-71.5-179.4179.267.3000111.5D28 T91 D93 L132 G133 N134 T193 P237 G275 H276D28-H235 IonicContact OD1-CE1 3.72Å; D28-H235 PolarHBondContact OD1-CE1 3.37Å; D28-H235 VanDerWaalsContact OD1-CE1 3.27Å; D28-H235 IonicContact OD2-CE1 3.66Å; T91-H235 WeakPolarHBondContact O-CB 3.37Å; T91-H235 PolarHBondContact O-ND1 3.36Å; D93-H235 WeakPolarHBondContact CB-CE1 3.26Å; D93-H235 IonicContact OD1-CD2 3.8Å; D93-H235 IonicContact OD1-CE1 2.8Å; D93-H235 IonicContact OD1-NE2 3.94Å; D93-H235 PolarHBondContact OD1-NE2 3.28Å; D93-H235 IonicContact OD2-CE1 2.76Å; D93-H235 IonicContact OD2-NE2 2.93Å; D93-H235 PolarHBondContact OD2-NE2 3.45Å; L132-H235 VanDerWaalsContact O-CB 3.23Å; L132-H235 WeakPolarHBondContact O-CB 3.49Å; G133-H235 WeakPolarHBondContact CA-CD2 3.34Å; N134-H235 PolarHBondContact OD1-CD2 2.89Å; N134-H235 PolarHBondContact OD1-NE2 3.06Å; T193-H235 PolarHBondContact OG1-N 3Å; H235-P237 WeakPolarHBondContact O-CD 3.38Å; H235-G275 CarbonylContact O-C 3.53Å; H235-G275 PolarHBondContact O-N 3.39Å; H235-G275 VanDerWaalsContact O-N 3.15Å; H235-H276 AromaticContact CD2-ND1 3.82Å; H235-H276 PolarHBondContact CE1-N 2.93Å; H235-H276 WeakPolarHBondContact NE2-CB 3.44Å; H235-H276 AromaticContact NE2-CG 3.65Å; H235-H276 AromaticContact NE2-ND1 3.13Å; H235-H276 PolarHBondContact NE2-ND1 2.86Å; H235-H276 VanDerWaalsContact NE2-ND1 3.13Å
236I98.9Very high98.3Very high0 Ų030.8 Ų30.80%015%0.145CC..SBendtrans-75122.3-179.1-53.3-175.9000110N134 T193 Y197 W249 F250 F274N134-I236 HydrophobicContact CB-CD1 4.12Å; T193-I236 VanDerWaalsContact CB-O 3.31Å; T193-I236 WeakPolarHBondContact CB-O 3.29Å; T193-I236 PolarHBondContact OG1-N 3.2Å; T193-I236 VanDerWaalsContact OG1-N 3.07Å; T193-I236 PolarHBondContact OG1-O 2.82Å; Y197-I236 HydrophobicContact CD1-CD1 3.86Å; Y197-I236 HydrophobicContact CD2-CD1 3.71Å; Y197-I236 HydrophobicContact CE1-CD1 4.47Å; Y197-I236 HydrophobicContact CE2-CD1 4.33Å; Y197-I236 HydrophobicContact CG-CD1 3.46Å; Y197-I236 VanDerWaalsContact CG-CD1 3.46Å; I236-W249 HydrophobicContact CG2-CB 3.3Å; I236-W249 HydrophobicContact CG2-CG 3.87Å; I236-F250 HydrophobicContact CB-CE1 4.03Å; I236-F250 HydrophobicContact CG2-CD1 3.95Å; I236-F250 HydrophobicContact CG2-CE1 3.75Å; I236-F250 VanDerWaalsContact O-CE1 3.24Å; I236-F250 WeakPolarHBondContact O-CE1 3.1Å; I236-F250 WeakPolarHBondContact O-CZ 3.35Å; I236-F274 WeakPolarHBondContact O-CD1 3.47Å; I236-F274 VanDerWaalsContact O-CE1 3.29Å; I236-F274 WeakPolarHBondContact O-CE1 3.19Å
237P98.9Very high98.3Very high0 Ų026.7 Ų26.70%012%0.123CC..PPolyproline II helixtrans-81.715417733.2-35.4000112.5H235 F274 H277 M296 L298H235-P237 WeakPolarHBondContact O-CD 3.38Å; P237-F274 HydrophobicContact CB-CB 4.1Å; P237-F274 HydrophobicContact CB-CD1 4.02Å; P237-F274 HydrophobicContact CB-CG 4.23Å; P237-H277 VanDerWaalsContact CG-NE2 3.26Å; P237-H277 WeakPolarHBondContact CG-NE2 3.25Å; P237-M296 HydrophobicContact CB-SD 3.87Å; P237-L298 HydrophobicContact CB-CD1 4.49Å; P237-L298 HydrophobicContact CB-CD2 3.64Å; P237-L298 HydrophobicContact CG-CD1 4.18Å; P237-L298 HydrophobicContact CG-CD2 3.95Å
238P98.9Very high98.4Very high1 Ų119.4 Ų19.41%0.00610%0.095CC..SBendtrans-70.4167.716634.9-38.1000111.2F250 N255 Y258 F285 M296 V418P238-F250 HydrophobicContact CB-CD2 4.01Å; P238-F250 HydrophobicContact CB-CE2 3.95Å; P238-F250 HydrophobicContact CB-CZ 4.48Å; P238-N255 WeakPolarHBondContact CA-OD1 3.5Å; P238-N255 VanDerWaalsContact CB-OD1 3.27Å; P238-N255 WeakPolarHBondContact CB-OD1 3.49Å; P238-Y258 HydrophobicContact CB-CD1 4.16Å; P238-Y258 HydrophobicContact CG-CD1 3.75Å; P238-Y258 HydrophobicContact CG-CE1 3.77Å; P238-Y258 HydrophobicContact CG-CG 4.45Å; P238-F285 HydrophobicContact CG-CZ 4.14Å; P238-M296 HydrophobicContact CG-CE 3.91Å; P238-M296 HydrophobicContact CG-SD 4.45Å; P238-V418 HydrophobicContact CB-CG1 3.79Å; P238-V418 HydrophobicContact CG-CG1 3.95Å
239G98.7Very high98.4Very high1 Ų119.1 Ų19.11%0.019%0.093CC..SBendtrans85.8-144.3177.700000112.3S248 N255G239-S248 WeakPolarHBondContact O-CA 3.35Å; G239-S248 WeakPolarHBondContact O-CB 3.5Å; G239-N255 PolarHBondContact N-OD1 3.07Å
240F98.9Very high98.5Very high5 Ų515.9 Ų15.92%0.0228%0.079CC..BIsolated β-bridgetrans-118.9149.9-168.1-63.9-93.1000112.4T247 R283 A414 F420 Y423F240-T247 CarbonylContact C-O 3.47Å; F240-T247 WeakPolarHBondContact CA-O 3.48Å; F240-T247 WeakPolarHBondContact CB-O 3.49Å; F240-T247 WeakPolarHBondContact CD1-O 3.39Å; F240-R283 PolarHBondContact O-NE 2.99Å; F240-R283 PolarHBondContact O-NH2 3.28Å; F240-A414 HydrophobicContact CB-CB 4.41Å; F240-F420 HydrophobicContact CE2-CB 4.45Å; F240-F420 AromaticContact CE2-CD2 3.75Å; F240-F420 HydrophobicContact CE2-CD2 3.75Å; F240-F420 HydrophobicContact CE2-CE2 4.18Å; F240-F420 HydrophobicContact CE2-CG 4.09Å; F240-F420 HydrophobicContact CZ-CB 4.06Å; F240-F420 AromaticContact CZ-CD1 3.88Å; F240-F420 HydrophobicContact CZ-CD1 3.88Å; F240-F420 AromaticContact CZ-CD2 3.65Å; F240-F420 HydrophobicContact CZ-CD2 3.65Å; F240-F420 HydrophobicContact CZ-CE1 4.24Å; F240-F420 HydrophobicContact CZ-CE2 4.01Å; F240-F420 AromaticContact CZ-CG 3.59Å; F240-F420 HydrophobicContact CZ-CG 3.59Å; F240-F420 HydrophobicContact CZ-CZ 4.31Å; F240-Y423 HydrophobicContact CB-CD2 4.16Å; F240-Y423 HydrophobicContact CB-CE2 3.82Å; F240-Y423 AromaticContact CD1-CD1 3.91Å; F240-Y423 HydrophobicContact CD1-CD1 3.91Å; F240-Y423 AromaticContact CD1-CE1 3.75Å; F240-Y423 HydrophobicContact CD1-CE1 3.75Å; F240-Y423 HydrophobicContact CD1-CE2 4.44Å; F240-Y423 HydrophobicContact CD1-CG 4.31Å; F240-Y423 AromaticContact CD2-CD1 3.86Å; F240-Y423 HydrophobicContact CD2-CD1 3.86Å; F240-Y423 AromaticContact CD2-CD2 3.52Å; F240-Y423 HydrophobicContact CD2-CD2 3.52Å; F240-Y423 HydrophobicContact CD2-CE1 4.32Å; F240-Y423 HydrophobicContact CD2-CE2 4.04Å; F240-Y423 AromaticContact CD2-CG 3.42Å; F240-Y423 HydrophobicContact CD2-CG 3.42Å; F240-Y423 VanDerWaalsContact CD2-CG 3.42Å; F240-Y423 AromaticContact CE1-CD1 3.75Å; F240-Y423 HydrophobicContact CE1-CD1 3.75Å; F240-Y423 AromaticContact CE1-CE1 3.94Å; F240-Y423 HydrophobicContact CE1-CE1 3.94Å; F240-Y423 HydrophobicContact CE1-CG 4.31Å; F240-Y423 AromaticContact CE2-CD1 3.73Å; F240-Y423 HydrophobicContact CE2-CD1 3.73Å; F240-Y423 HydrophobicContact CE2-CD2 4.05Å; F240-Y423 AromaticContact CE2-CG 3.45Å; F240-Y423 HydrophobicContact CE2-CG 3.45Å; F240-Y423 VanDerWaalsContact CE2-CG 3.45Å; F240-Y423 AromaticContact CG-CD1 3.96Å; F240-Y423 HydrophobicContact CG-CD1 3.96Å; F240-Y423 AromaticContact CG-CD2 3.83Å; F240-Y423 HydrophobicContact CG-CD2 3.83Å; F240-Y423 AromaticContact CG-CE1 3.95Å; F240-Y423 HydrophobicContact CG-CE1 3.95Å; F240-Y423 AromaticContact CG-CE2 3.84Å; F240-Y423 HydrophobicContact CG-CE2 3.84Å; F240-Y423 AromaticContact CG-CG 3.89Å; F240-Y423 HydrophobicContact CG-CG 3.89Å; F240-Y423 AromaticContact CG-CZ 3.91Å; F240-Y423 AromaticContact CZ-CD1 3.66Å; F240-Y423 HydrophobicContact CZ-CD1 3.66Å; F240-Y423 HydrophobicContact CZ-CE1 4.32Å; F240-Y423 AromaticContact CZ-CG 3.91Å; F240-Y423 HydrophobicContact CZ-CG 3.91Å
241F98.8Very high98.4Very high11 Ų1117.7 Ų17.75%0.0489%0.09CC..  trans-78.7123.6172-176.4-151.3000110.3K243 K244 T247 W249 H277 L309 V312F241-K243 VanDerWaalsContact C-N 3.33Å; F241-K243 HydrophobicContact CD1-CB 4.34Å; F241-K243 HydrophobicContact CD2-CB 4.38Å; F241-K243 HydrophobicContact CE1-CB 3.78Å; F241-K243 HydrophobicContact CE1-CG 4.42Å; F241-K243 HydrophobicContact CE2-CB 3.82Å; F241-K243 HydrophobicContact CE2-CG 3.67Å; F241-K243 HydrophobicContact CZ-CB 3.51Å; F241-K243 HydrophobicContact CZ-CG 3.64Å; F241-K243 PolarHBondContact O-N 3.48Å; F241-K244 HydrophobicContact CD1-CB 4.22Å; F241-K244 CarbonylContact O-C 3.56Å; F241-K244 PolarHBondContact O-N 2.86Å; F241-K244 VanDerWaalsContact O-O 3.09Å; F241-T247 HydrophobicContact CB-CG2 4.3Å; F241-T247 PolarHBondContact N-O 2.77Å; F241-W249 HydrophobicContact CB-CH2 4.48Å; F241-W249 HydrophobicContact CB-CZ2 3.67Å; F241-W249 HydrophobicContact CD1-CH2 4.08Å; F241-W249 AromaticContact CD1-CZ2 3.75Å; F241-W249 HydrophobicContact CD1-CZ2 3.75Å; F241-W249 HydrophobicContact CD2-CZ2 4.41Å; F241-W249 HydrophobicContact CE1-CZ2 4.44Å; F241-W249 HydrophobicContact CG-CH2 4.47Å; F241-W249 AromaticContact CG-CZ2 3.71Å; F241-W249 HydrophobicContact CG-CZ2 3.71Å; F241-H277 HydrophobicContact CD2-CB 4.26Å; F241-H277 AromaticContact CD2-CE1 3.87Å; F241-H277 AromaticContact CD2-CG 3.78Å; F241-H277 AromaticContact CD2-ND1 3.51Å; F241-H277 HydrophobicContact CE2-CB 3.98Å; F241-L309 HydrophobicContact CD1-CD2 3.75Å; F241-L309 HydrophobicContact CE1-CD2 3.76Å; F241-V312 HydrophobicContact CE1-CG2 4.25Å
242E98.7Very high98.4Very high1 Ų124 Ų241%0.00512%0.117CC..THydrogen-bonded Turntrans-74.1-21.7-172.374-74.5176.400113.9K244 H277 T279 R283 N394 H411 A414E242-K244 VanDerWaalsContact C-N 3.27Å; E242-K244 PolarHBondContact O-N 2.94Å; E242-H277 IonicContact OE2-CE1 2.79Å; E242-H277 IonicContact OE2-ND1 2.73Å; E242-H277 PolarHBondContact OE2-ND1 2.98Å; E242-T279 WeakPolarHBondContact OE1-CB 3.37Å; E242-T279 PolarHBondContact OE1-OG1 2.88Å; E242-R283 IonicContact OE2-CZ 3.01Å; E242-R283 IonicContact OE2-NH2 3.01Å; E242-R283 PolarHBondContact OE2-NH2 3.27Å; E242-N394 PolarHBondContact OE1-ND2 2.83Å; E242-H411 VanDerWaalsContact CG-ND1 3.31Å; E242-H411 WeakPolarHBondContact CG-ND1 3.41Å; E242-A414 HydrophobicContact CB-CB 3.71Å
243K98.1Very high98.3Very high29 Ų2927.9 Ų27.913%0.12613%0.134CC..THydrogen-bonded Turntrans-80.9-5176.8-59.4-75.2-70.5-164.10113.3F241 T279 V312 N394F241-K243 VanDerWaalsContact C-N 3.33Å; F241-K243 HydrophobicContact CD1-CB 4.34Å; F241-K243 HydrophobicContact CD2-CB 4.38Å; F241-K243 HydrophobicContact CE1-CB 3.78Å; F241-K243 HydrophobicContact CE1-CG 4.42Å; F241-K243 HydrophobicContact CE2-CB 3.82Å; F241-K243 HydrophobicContact CE2-CG 3.67Å; F241-K243 HydrophobicContact CZ-CB 3.51Å; F241-K243 HydrophobicContact CZ-CG 3.64Å; F241-K243 PolarHBondContact O-N 3.48Å; K243-T279 HydrophobicContact CD-CG2 4.34Å; K243-T279 HydrophobicContact CG-CG2 4.13Å; K243-V312 HydrophobicContact CB-CG1 4.37Å; K243-N394 VanDerWaalsContact CD-OD1 3.31Å; K243-N394 WeakPolarHBondContact CD-OD1 3.46Å
244K97.3Very high98.3Very high60 Ų6028 Ų2826%0.26114%0.135SC..SBendtrans-152.2108-179.6-170.4179.4164.3-176.30112.6F241 E242 S246 T247 L309 P310 V312F241-K244 HydrophobicContact CD1-CB 4.22Å; F241-K244 CarbonylContact O-C 3.56Å; F241-K244 PolarHBondContact O-N 2.86Å; F241-K244 VanDerWaalsContact O-O 3.09Å; E242-K244 VanDerWaalsContact C-N 3.27Å; E242-K244 PolarHBondContact O-N 2.94Å; K244-S246 PolarHBondContact O-N 2.88Å; K244-T247 VanDerWaalsContact CD-OG1 3.23Å; K244-T247 WeakPolarHBondContact CD-OG1 3.27Å; K244-T247 WeakPolarHBondContact CE-OG1 3.48Å; K244-T247 VanDerWaalsContact CG-OG1 3.26Å; K244-T247 WeakPolarHBondContact CG-OG1 3.34Å; K244-T247 VanDerWaalsContact O-CB 3.3Å; K244-T247 WeakPolarHBondContact O-CB 3.29Å; K244-T247 PolarHBondContact O-N 2.94Å; K244-T247 PolarHBondContact O-OG1 3.15Å; K244-L309 HydrophobicContact CB-CD2 4.46Å; K244-L309 HydrophobicContact CD-CD2 3.77Å; K244-L309 HydrophobicContact CD-CG 4.03Å; K244-P310 WeakPolarHBondContact CE-O 3.44Å; K244-P310 PolarHBondContact NZ-O 3.1Å; K244-V312 HydrophobicContact CB-CG2 3.97Å; K244-V312 HydrophobicContact CD-CG2 4.25Å
245R97.3Very high98.3Very high99 Ų9928 Ų2837%0.37414%0.135SC..THydrogen-bonded Turntrans-42.2134175.4-166.5172.7-67.1170.62.1113.3T247 D406 D410 L427R245-T247 PolarHBondContact O-N 3.21Å; R245-T247 VanDerWaalsContact O-N 3.15Å; R245-D406 IonicContact CZ-OD1 3.66Å; R245-D406 IonicContact NH1-OD1 3.44Å; R245-D406 PolarHBondContact NH1-OD1 2.87Å; R245-D406 PolarHBondContact NH2-O 2.96Å; R245-D406 IonicContact NH2-OD1 2.93Å; R245-D406 PolarHBondContact NH2-OD1 3.12Å; R245-D410 IonicContact CZ-OD1 3.19Å; R245-D410 IonicContact NE-OD1 2.68Å; R245-D410 PolarHBondContact NE-OD1 3.33Å; R245-D410 IonicContact NE-OD2 3.97Å; R245-D410 IonicContact NH2-OD1 2.87Å; R245-D410 PolarHBondContact NH2-OD1 2.92Å; R245-L427 HydrophobicContact CG-CD1 3.89Å; R245-L427 HydrophobicContact CG-CD2 4.25Å
246S96.8Very high98.3Very high61 Ų6130.3 Ų30.343%0.42715%0.149SC..THydrogen-bonded Turntrans56.625.8176.3-53.80000115K244 Y423 E424K244-S246 PolarHBondContact O-N 2.88Å; S246-Y423 PolarHBondContact N-OH 3.24Å; S246-Y423 VanDerWaalsContact N-OH 3.13Å; S246-E424 PolarHBondContact OG-OE1 3.31Å
247T98.2Very high98.3Very high19 Ų1934.5 Ų34.512%0.11717%0.165CC..  trans-98.9125.2171.2-58.20000109.8F240 F241 K244 R245 W249 L309F240-T247 CarbonylContact C-O 3.47Å; F240-T247 WeakPolarHBondContact CA-O 3.48Å; F240-T247 WeakPolarHBondContact CB-O 3.49Å; F240-T247 WeakPolarHBondContact CD1-O 3.39Å; F241-T247 HydrophobicContact CB-CG2 4.3Å; F241-T247 PolarHBondContact N-O 2.77Å; K244-T247 VanDerWaalsContact CD-OG1 3.23Å; K244-T247 WeakPolarHBondContact CD-OG1 3.27Å; K244-T247 WeakPolarHBondContact CE-OG1 3.48Å; K244-T247 VanDerWaalsContact CG-OG1 3.26Å; K244-T247 WeakPolarHBondContact CG-OG1 3.34Å; K244-T247 VanDerWaalsContact O-CB 3.3Å; K244-T247 WeakPolarHBondContact O-CB 3.29Å; K244-T247 PolarHBondContact O-N 2.94Å; K244-T247 PolarHBondContact O-OG1 3.15Å; R245-T247 PolarHBondContact O-N 3.21Å; R245-T247 VanDerWaalsContact O-N 3.15Å; T247-W249 HydrophobicContact CG2-CE3 4.4Å; T247-W249 HydrophobicContact CG2-CH2 3.95Å; T247-W249 HydrophobicContact CG2-CZ2 4.45Å; T247-W249 HydrophobicContact CG2-CZ3 3.9Å; T247-L309 HydrophobicContact CG2-CD2 4.35Å
248S98.1Very high98.3Very high27 Ų2734.5 Ų34.519%0.18917%0.165CC..BIsolated β-bridgetrans-133.9154.8177.5530000109.9G239 F420G239-S248 WeakPolarHBondContact O-CA 3.35Å; G239-S248 WeakPolarHBondContact O-CB 3.5Å; S248-F420 VanDerWaalsContact CB-CZ 3.48Å; S248-F420 WeakPolarHBondContact OG-CE1 3.26Å; S248-F420 WeakPolarHBondContact OG-CZ 3.09Å
249W98.6Very high98.2Very high16 Ų1635.3 Ų35.36%0.06117%0.169CC..SBendtrans-101.6-45-176.4-47123.1000112.1Y197 Y198 I236 F241 T247 H276 H277 L309Y197-W249 CarbonylContact C-O 3.56Å; Y197-W249 HydrophobicContact CD2-CB 3.85Å; Y197-W249 WeakPolarHBondContact CD2-O 3.41Å; Y197-W249 HydrophobicContact CE2-CB 3.82Å; Y197-W249 HydrophobicContact CE2-CD2 4.3Å; Y197-W249 AromaticContact CE2-CE3 3.8Å; Y197-W249 HydrophobicContact CE2-CE3 3.8Å; Y197-W249 HydrophobicContact CE2-CG 4.37Å; Y198-W249 WeakPolarHBondContact CD1-O 3.42Å; Y198-W249 HydrophobicContact CE1-CE3 4.07Å; Y198-W249 PolarHBondContact N-O 2.72Å; I236-W249 HydrophobicContact CG2-CB 3.3Å; I236-W249 HydrophobicContact CG2-CG 3.87Å; F241-W249 HydrophobicContact CB-CH2 4.48Å; F241-W249 HydrophobicContact CB-CZ2 3.67Å; F241-W249 HydrophobicContact CD1-CH2 4.08Å; F241-W249 AromaticContact CD1-CZ2 3.75Å; F241-W249 HydrophobicContact CD1-CZ2 3.75Å; F241-W249 HydrophobicContact CD2-CZ2 4.41Å; F241-W249 HydrophobicContact CE1-CZ2 4.44Å; F241-W249 HydrophobicContact CG-CH2 4.47Å; F241-W249 AromaticContact CG-CZ2 3.71Å; F241-W249 HydrophobicContact CG-CZ2 3.71Å; T247-W249 HydrophobicContact CG2-CE3 4.4Å; T247-W249 HydrophobicContact CG2-CH2 3.95Å; T247-W249 HydrophobicContact CG2-CZ2 4.45Å; T247-W249 HydrophobicContact CG2-CZ3 3.9Å; W249-H276 AromaticContact CD1-CD2 3.69Å; W249-H276 AromaticContact CD2-CD2 3.95Å; W249-H276 AromaticContact CD2-NE2 3.61Å; W249-H276 AromaticContact CE2-CD2 3.7Å; W249-H276 AromaticContact CE2-NE2 3.69Å; W249-H276 AromaticContact CG-CD2 3.91Å; W249-H276 AromaticContact CG-NE2 3.87Å; W249-H276 AromaticContact NE1-CD2 3.57Å; W249-H277 AromaticContact CD1-NE2 3.48Å; W249-H277 AromaticContact CE2-NE2 3.93Å; W249-H277 AromaticContact NE1-CD2 3.29Å; W249-H277 PolarHBondContact NE1-CD2 2.89Å; W249-H277 VanDerWaalsContact NE1-CD2 3.29Å; W249-H277 AromaticContact NE1-CE1 3.88Å; W249-H277 AromaticContact NE1-NE2 2.8Å; W249-H277 PolarHBondContact NE1-NE2 3.4Å; W249-L309 HydrophobicContact CH2-CD2 4.1Å
250F98.6Very high98.2Very high2 Ų239.4 Ų39.41%0.00919%0.188CC..BIsolated β-bridgetrans-68.7145.1174.7-77.721.9000109.8T193 Y196 I236 P238 F254 N255 Y258T193-F250 HydrophobicContact CG2-CE1 4.49Å; T193-F250 HydrophobicContact CG2-CZ 3.8Å; Y196-F250 HydrophobicContact CD2-CD2 4.21Å; Y196-F250 HydrophobicContact CD2-CE1 4.13Å; Y196-F250 AromaticContact CD2-CE2 3.52Å; Y196-F250 HydrophobicContact CD2-CE2 3.52Å; Y196-F250 AromaticContact CD2-CZ 3.52Å; Y196-F250 HydrophobicContact CD2-CZ 3.52Å; Y196-F250 HydrophobicContact CE2-CE2 4.39Å; Y196-F250 HydrophobicContact CE2-CZ 4.47Å; Y196-F250 HydrophobicContact CG-CD2 4.37Å; Y196-F250 HydrophobicContact CG-CE2 4.13Å; Y196-F250 HydrophobicContact CG-CZ 4.26Å; Y196-F250 WeakPolarHBondContact O-CA 3.39Å; I236-F250 HydrophobicContact CB-CE1 4.03Å; I236-F250 HydrophobicContact CG2-CD1 3.95Å; I236-F250 HydrophobicContact CG2-CE1 3.75Å; I236-F250 VanDerWaalsContact O-CE1 3.24Å; I236-F250 WeakPolarHBondContact O-CE1 3.1Å; I236-F250 WeakPolarHBondContact O-CZ 3.35Å; P238-F250 HydrophobicContact CB-CD2 4.01Å; P238-F250 HydrophobicContact CB-CE2 3.95Å; P238-F250 HydrophobicContact CB-CZ 4.48Å; F250-F254 HydrophobicContact CD2-CB 4.34Å; F250-N255 HydrophobicContact CB-CB 3.96Å; F250-Y258 HydrophobicContact CE2-CD2 4.27Å; F250-Y258 HydrophobicContact CE2-CG 4.37Å
251T98.1Very high98.2Very high37 Ų3739.2 Ų39.223%0.22719%0.187CC..  trans-60149.6161.477.10000109.2Y196 K253 F254 N255Y196-T251 PolarHBondContact O-N 2.96Å; Y196-T251 VanDerWaalsContact O-N 3.15Å; T251-K253 PolarHBondContact O-N 3.37Å; T251-K253 VanDerWaalsContact O-N 3.11Å; T251-F254 HydrophobicContact CG2-CD2 4.04Å; T251-F254 HydrophobicContact CG2-CE2 4.26Å; T251-F254 PolarHBondContact O-N 3.13Å; T251-F254 VanDerWaalsContact O-N 3.1Å; T251-F254 WeakPolarHBondContact OG1-CD2 3.24Å; T251-F254 WeakPolarHBondContact OG1-CG 3.46Å; T251-F254 PolarHBondContact OG1-N 3.42Å; T251-N255 WeakPolarHBondContact O-CB 3.27Å; T251-N255 PolarHBondContact O-N 3.01Å
252K97.5Very high98.2Very high134 Ų13438.7 Ų38.758%0.58319%0.185SC*.Hα-helixtrans-51.1-40.4179.3-177.6177178.9178.50112.5N255 T256 F420K252-N255 PolarHBondContact O-N 3.07Å; K252-T256 PolarHBondContact O-N 3.21Å; K252-T256 PolarHBondContact O-OG1 3.5Å; K252-T256 VanDerWaalsContact O-OG1 3.12Å; K252-F420 HydrophobicContact CB-CD1 4.11Å; K252-F420 HydrophobicContact CB-CE1 4.01Å; K252-F420 HydrophobicContact CB-CZ 4.5Å; K252-F420 HydrophobicContact CD-CD1 4.39Å; K252-F420 HydrophobicContact CG-CD1 4.06Å; K252-F420 HydrophobicContact CG-CE1 4.45Å; K252-F420 HydrophobicContact CG-CG 4.28Å
253K97.6Very high98.2Very high83 Ų8342.3 Ų42.336%0.36120%0.202SC..Hα-helixtrans-59.1-52.9178.4174.7-173174.7-172.50111.8D206 D207 T251 N255 T256 R257D206-K253 VanDerWaalsContact C-NZ 3.33Å; D206-K253 PolarHBondContact O-NZ 3.23Å; D207-K253 WeakPolarHBondContact OD1-CE 3.43Å; D207-K253 IonicContact OD1-NZ 2.95Å; D207-K253 PolarHBondContact OD1-NZ 3.21Å; T251-K253 PolarHBondContact O-N 3.37Å; T251-K253 VanDerWaalsContact O-N 3.11Å; K253-N255 VanDerWaalsContact C-N 3.35Å; K253-T256 PolarHBondContact O-N 3.43Å; K253-R257 PolarHBondContact O-N 2.99Å
254F98.7Very high98.2Very high2 Ų246.8 Ų46.81%0.00922%0.221CC..Hα-helixtrans-70-34.1-178.9-59.8-39.1000112.2Y196 D206 P209 F213 F250 T251 R257 Y258Y196-F254 VanDerWaalsContact CA-CD2 3.46Å; Y196-F254 HydrophobicContact CD1-CB 4.02Å; Y196-F254 HydrophobicContact CD1-CD1 4.18Å; Y196-F254 HydrophobicContact CD1-CD2 4.02Å; Y196-F254 HydrophobicContact CD1-CE2 4.49Å; Y196-F254 AromaticContact CD1-CG 3.83Å; Y196-F254 HydrophobicContact CD1-CG 3.83Å; Y196-F254 HydrophobicContact CG-CB 4.01Å; Y196-F254 HydrophobicContact CG-CD2 4.36Å; Y196-F254 HydrophobicContact CG-CG 4.24Å; D206-F254 VanDerWaalsContact O-CE1 3.31Å; D206-F254 WeakPolarHBondContact O-CE1 3.31Å; D206-F254 VanDerWaalsContact O-CZ 3.26Å; D206-F254 WeakPolarHBondContact O-CZ 3.45Å; P209-F254 HydrophobicContact CG-CE1 4.29Å; P209-F254 HydrophobicContact CG-CZ 4.07Å; F213-F254 HydrophobicContact CE2-CB 4.3Å; F213-F254 AromaticContact CE2-CD1 3.59Å; F213-F254 HydrophobicContact CE2-CD1 3.59Å; F213-F254 HydrophobicContact CE2-CE1 4.28Å; F213-F254 HydrophobicContact CE2-CG 4.26Å; F213-F254 HydrophobicContact CZ-CB 4.04Å; F213-F254 HydrophobicContact CZ-CD1 4.21Å; F213-F254 HydrophobicContact CZ-CG 4.48Å; F250-F254 HydrophobicContact CD2-CB 4.34Å; T251-F254 HydrophobicContact CG2-CD2 4.04Å; T251-F254 HydrophobicContact CG2-CE2 4.26Å; T251-F254 PolarHBondContact O-N 3.13Å; T251-F254 VanDerWaalsContact O-N 3.1Å; T251-F254 WeakPolarHBondContact OG1-CD2 3.24Å; T251-F254 WeakPolarHBondContact OG1-CG 3.46Å; T251-F254 PolarHBondContact OG1-N 3.42Å; F254-R257 PolarHBondContact O-N 2.8Å; F254-Y258 WeakPolarHBondContact O-CB 3.37Å; F254-Y258 PolarHBondContact O-N 2.79Å
255N98.8Very high98.3Very high0 Ų044.3 Ų44.30%021%0.21CC..Hα-helixtrans-60.7-47.6173.3-166.383.6000112.1P238 G239 F250 T251 K252 K253 R257 Y258 L259 V418 F420P238-N255 WeakPolarHBondContact CA-OD1 3.5Å; P238-N255 VanDerWaalsContact CB-OD1 3.27Å; P238-N255 WeakPolarHBondContact CB-OD1 3.49Å; G239-N255 PolarHBondContact N-OD1 3.07Å; F250-N255 HydrophobicContact CB-CB 3.96Å; T251-N255 WeakPolarHBondContact O-CB 3.27Å; T251-N255 PolarHBondContact O-N 3.01Å; K252-N255 PolarHBondContact O-N 3.07Å; K253-N255 VanDerWaalsContact C-N 3.35Å; N255-R257 VanDerWaalsContact C-N 3.34Å; N255-R257 PolarHBondContact O-N 3.46Å; N255-Y258 PolarHBondContact O-N 2.92Å; N255-L259 WeakPolarHBondContact O-CG 3.4Å; N255-L259 PolarHBondContact O-N 3.2Å; N255-V418 PolarHBondContact ND2-O 3.37Å; N255-F420 HydrophobicContact CB-CD2 4.2Å; N255-F420 HydrophobicContact CB-CE2 3.65Å; N255-F420 HydrophobicContact CB-CZ 4.39Å; N255-F420 VanDerWaalsContact CG-CE2 3.41Å; N255-F420 WeakPolarHBondContact ND2-CD2 3.39Å
256T98.4Very high98.3Very high49 Ų4942.8 Ų42.830%0.30121%0.208SC..Hα-helixtrans-60.6-45175.1-64.20000111K252 K253 Y258 L259 E260K252-T256 PolarHBondContact O-N 3.21Å; K252-T256 PolarHBondContact O-OG1 3.5Å; K252-T256 VanDerWaalsContact O-OG1 3.12Å; K253-T256 PolarHBondContact O-N 3.43Å; T256-Y258 PolarHBondContact O-N 3.46Å; T256-L259 WeakPolarHBondContact O-CB 3.4Å; T256-L259 PolarHBondContact O-N 3.33Å; T256-E260 WeakPolarHBondContact O-CG 3.5Å; T256-E260 PolarHBondContact O-N 3.08Å
257R98.5Very high98.3Very high87 Ų8743.4 Ų43.433%0.32821%0.212SC..Hα-helixtrans-63.1-40.7-179.7-171.459.3177.2155.83.2112.9F213 K253 F254 N255 E260 L261F213-R257 HydrophobicContact CB-CG 4.15Å; F213-R257 HydrophobicContact CD1-CB 4.33Å; F213-R257 HydrophobicContact CD1-CG 3.6Å; F213-R257 HydrophobicContact CD2-CB 4.44Å; F213-R257 HydrophobicContact CD2-CG 3.75Å; F213-R257 HydrophobicContact CE1-CB 4Å; F213-R257 HydrophobicContact CE1-CG 3.79Å; F213-R257 HydrophobicContact CE2-CB 4.14Å; F213-R257 HydrophobicContact CE2-CG 3.95Å; F213-R257 HydrophobicContact CG-CG 3.57Å; F213-R257 HydrophobicContact CZ-CB 3.89Å; F213-R257 HydrophobicContact CZ-CG 3.96Å; K253-R257 PolarHBondContact O-N 2.99Å; F254-R257 PolarHBondContact O-N 2.8Å; N255-R257 VanDerWaalsContact C-N 3.34Å; N255-R257 PolarHBondContact O-N 3.46Å; R257-E260 WeakPolarHBondContact CD-OE2 3.37Å; R257-E260 IonicContact CZ-OE2 2.71Å; R257-E260 IonicContact NH1-OE2 3.43Å; R257-E260 PolarHBondContact NH1-OE2 3.3Å; R257-E260 PolarHBondContact O-N 2.79Å; R257-L261 PolarHBondContact O-N 3.07Å
258Y98.9Very high98.3Very high1 Ų142.8 Ų42.80%0.00421%0.208CC..Hα-helixtrans-60.6-47.9174.3-171-86.2000111L191 P238 F250 F254 N255 T256 E260 L261 I262 Q272 F285 M296L191-Y258 HydrophobicContact CD1-CE2 3.8Å; P238-Y258 HydrophobicContact CB-CD1 4.16Å; P238-Y258 HydrophobicContact CG-CD1 3.75Å; P238-Y258 HydrophobicContact CG-CE1 3.77Å; P238-Y258 HydrophobicContact CG-CG 4.45Å; F250-Y258 HydrophobicContact CE2-CD2 4.27Å; F250-Y258 HydrophobicContact CE2-CG 4.37Å; F254-Y258 WeakPolarHBondContact O-CB 3.37Å; F254-Y258 PolarHBondContact O-N 2.79Å; N255-Y258 PolarHBondContact O-N 2.92Å; T256-Y258 PolarHBondContact O-N 3.46Å; Y258-E260 VanDerWaalsContact C-N 3.35Å; Y258-E260 PolarHBondContact O-N 3.15Å; Y258-L261 PolarHBondContact O-N 3.24Å; Y258-L261 VanDerWaalsContact O-N 3.14Å; Y258-I262 HydrophobicContact CD1-CD1 4.38Å; Y258-I262 HydrophobicContact CD1-CG1 3.72Å; Y258-I262 HydrophobicContact CE1-CD1 3.7Å; Y258-I262 HydrophobicContact CE1-CG1 3.4Å; Y258-I262 WeakPolarHBondContact O-CG1 3.48Å; Y258-I262 PolarHBondContact O-N 2.92Å; Y258-Q272 PolarHBondContact OH-OE1 2.6Å; Y258-F285 HydrophobicContact CD1-CE1 4.39Å; Y258-F285 HydrophobicContact CE1-CE1 4.2Å; Y258-F285 HydrophobicContact CE1-CZ 4.27Å; Y258-M296 HydrophobicContact CE1-CE 4.14Å
259L98.6Very high98.3Very high17 Ų1741.8 Ų41.89%0.08920%0.2CC..Hα-helixtrans-58.7-43.2178.6-76.2167.4000113.1N255 T256 L261 I262 Q263 F285 V418 D419N255-L259 WeakPolarHBondContact O-CG 3.4Å; N255-L259 PolarHBondContact O-N 3.2Å; T256-L259 WeakPolarHBondContact O-CB 3.4Å; T256-L259 PolarHBondContact O-N 3.33Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.23Å; L259-I262 PolarHBondContact O-N 3.46Å; L259-Q263 WeakPolarHBondContact O-CB 3.31Å; L259-Q263 WeakPolarHBondContact O-CG 3.15Å; L259-Q263 PolarHBondContact O-N 3.31Å; L259-F285 HydrophobicContact CD2-CD1 3.59Å; L259-F285 HydrophobicContact CD2-CE1 3.58Å; L259-V418 HydrophobicContact CD1-CG1 4.24Å; L259-V418 HydrophobicContact CD2-CB 3.93Å; L259-V418 HydrophobicContact CD2-CG1 3.77Å; L259-V418 HydrophobicContact CG-CG1 4.15Å; L259-D419 HydrophobicContact CD1-CB 3.81Å
260E98.4Very high98.3Very high87 Ų8742.8 Ų42.841%0.40721%0.207SC..Hα-helixtrans-57.8-42175.9-72.4172.2177.200111.9T256 R257 Y258 Q263 K264T256-E260 WeakPolarHBondContact O-CG 3.5Å; T256-E260 PolarHBondContact O-N 3.08Å; R257-E260 WeakPolarHBondContact CD-OE2 3.37Å; R257-E260 IonicContact CZ-OE2 2.71Å; R257-E260 IonicContact NH1-OE2 3.43Å; R257-E260 PolarHBondContact NH1-OE2 3.3Å; R257-E260 PolarHBondContact O-N 2.79Å; Y258-E260 VanDerWaalsContact C-N 3.35Å; Y258-E260 PolarHBondContact O-N 3.15Å; E260-Q263 PolarHBondContact O-N 3.1Å; E260-K264 VanDerWaalsContact O-CB 3.27Å; E260-K264 WeakPolarHBondContact O-CB 3.33Å; E260-K264 PolarHBondContact O-N 3.4Å
261L98.7Very high98.3Very high1 Ų142.8 Ų42.81%0.00521%0.207CC..Hα-helixtrans-70.4-40.9179.3-68.1175.9000112.2F213 L216 D217 R257 Y258 L259 Q263 K264 H265F213-L261 HydrophobicContact CB-CD1 4.28Å; F213-L261 HydrophobicContact CD1-CD1 3.65Å; F213-L261 HydrophobicContact CG-CD1 4.44Å; L216-L261 HydrophobicContact CB-CD1 4.3Å; L216-L261 HydrophobicContact CD2-CD1 3.76Å; L216-L261 HydrophobicContact CG-CD1 4.04Å; D217-L261 HydrophobicContact CB-CD2 3.66Å; R257-L261 PolarHBondContact O-N 3.07Å; Y258-L261 PolarHBondContact O-N 3.24Å; Y258-L261 VanDerWaalsContact O-N 3.14Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.23Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-K264 PolarHBondContact O-N 2.98Å; L261-H265 WeakPolarHBondContact O-CB 3.28Å; L261-H265 PolarHBondContact O-CD2 3.36Å; L261-H265 PolarHBondContact O-N 3.4Å
262I98.6Very high98.3Very high1 Ų141 Ų411%0.00520%0.196CC..Hα-helixtrans-61.1-46.3173.6-59.7-52.9000110I232 Y258 L259 K264 H265 H266 I269 F285I232-I262 HydrophobicContact CD1-CD1 3.85Å; Y258-I262 HydrophobicContact CD1-CD1 4.38Å; Y258-I262 HydrophobicContact CD1-CG1 3.72Å; Y258-I262 HydrophobicContact CE1-CD1 3.7Å; Y258-I262 HydrophobicContact CE1-CG1 3.4Å; Y258-I262 WeakPolarHBondContact O-CG1 3.48Å; Y258-I262 PolarHBondContact O-N 2.92Å; L259-I262 PolarHBondContact O-N 3.46Å; I262-K264 VanDerWaalsContact C-N 3.32Å; I262-K264 PolarHBondContact O-N 2.9Å; I262-H265 PolarHBondContact O-N 2.98Å; I262-H266 WeakPolarHBondContact O-CA 3.26Å; I262-H266 VanDerWaalsContact O-CB 3.28Å; I262-H266 WeakPolarHBondContact O-CB 3.31Å; I262-H266 PolarHBondContact O-N 3.36Å; I262-I269 HydrophobicContact CD1-CD1 3.75Å; I262-F285 HydrophobicContact CB-CD1 4.23Å; I262-F285 HydrophobicContact CG1-CD1 4.38Å; I262-F285 HydrophobicContact CG1-CE1 4.25Å; I262-F285 HydrophobicContact CG2-CB 4.18Å; I262-F285 HydrophobicContact CG2-CD1 3.82Å; I262-F285 HydrophobicContact CG2-CE1 4.46Å; I262-F285 HydrophobicContact CG2-CG 4.05Å
263Q98.1Very high98.4Very high76 Ų7634.6 Ų34.636%0.35517%0.168SC..Hα-helixtrans-64.6-33.1177.3-73.7178.6-25.300113.3L259 E260 L261 H266 Y286 I293L259-Q263 WeakPolarHBondContact O-CB 3.31Å; L259-Q263 WeakPolarHBondContact O-CG 3.15Å; L259-Q263 PolarHBondContact O-N 3.31Å; E260-Q263 PolarHBondContact O-N 3.1Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-H266 PolarHBondContact O-CD2 3.1Å; Q263-H266 VanDerWaalsContact O-CD2 3.28Å; Q263-Y286 PolarHBondContact NE2-O 3.46Å; Q263-Y286 VanDerWaalsContact NE2-O 3.1Å; Q263-I293 HydrophobicContact CG-CD1 4.1Å
264K98.3Very high98.5Very high123 Ų12330.7 Ų30.754%0.53515%0.151SC..Hα-helixtrans-72.4-37.3176.7-177.4179.2174.3-1710112.3D217 E260 L261 I262D217-K264 WeakPolarHBondContact OD1-CE 3.38Å; D217-K264 IonicContact OD1-NZ 3.31Å; D217-K264 PolarHBondContact OD1-NZ 3.42Å; D217-K264 IonicContact OD2-NZ 2.73Å; D217-K264 PolarHBondContact OD2-NZ 3.02Å; E260-K264 VanDerWaalsContact O-CB 3.27Å; E260-K264 WeakPolarHBondContact O-CB 3.33Å; E260-K264 PolarHBondContact O-N 3.4Å; L261-K264 PolarHBondContact O-N 2.98Å; I262-K264 VanDerWaalsContact C-N 3.32Å; I262-K264 PolarHBondContact O-N 2.9Å
265H98.6Very high98.5Very high8 Ų830.6 Ų30.64%0.03715%0.151CC..Hα-helixtrans-115.59.5-166.6-65-65.9000115.1D217 L220 T221 L261 I262 S267 V268 I269D217-H265 IonicContact OD1-CD2 3.4Å; D217-H265 IonicContact OD1-CE1 2.73Å; D217-H265 PolarHBondContact OD1-CE1 3.35Å; D217-H265 IonicContact OD1-NE2 3.18Å; D217-H265 PolarHBondContact OD1-NE2 3.25Å; L220-H265 HydrophobicContact CB-CB 3.91Å; L220-H265 VanDerWaalsContact CB-CG 3.5Å; L220-H265 HydrophobicContact CD1-CB 3.85Å; L220-H265 HydrophobicContact CD2-CB 4.42Å; L220-H265 HydrophobicContact CG-CB 4.29Å; T221-H265 PolarHBondContact OG1-CE1 2.72Å; T221-H265 VanDerWaalsContact OG1-CE1 3.31Å; L261-H265 WeakPolarHBondContact O-CB 3.28Å; L261-H265 PolarHBondContact O-CD2 3.36Å; L261-H265 PolarHBondContact O-N 3.4Å; I262-H265 PolarHBondContact O-N 2.98Å; H265-S267 PolarHBondContact O-N 3.1Å; H265-V268 HydrophobicContact CB-CG2 4.41Å; H265-V268 VanDerWaalsContact O-CG2 3.25Å; H265-V268 WeakPolarHBondContact O-CG2 3.43Å; H265-V268 PolarHBondContact O-N 2.67Å; H265-V268 VanDerWaalsContact O-N 3.1Å; H265-I269 HydrophobicContact CB-CD1 3.99Å; H265-I269 PolarHBondContact O-N 3.07Å
266H97.9Very high98.5Very high68 Ų6831.5 Ų31.532%0.31516%0.155SC..THydrogen-bonded Turntrans-56.9-20.5-174.17285.6000114.8I262 Q263 V268 I293I262-H266 WeakPolarHBondContact O-CA 3.26Å; I262-H266 VanDerWaalsContact O-CB 3.28Å; I262-H266 WeakPolarHBondContact O-CB 3.31Å; I262-H266 PolarHBondContact O-N 3.36Å; Q263-H266 PolarHBondContact O-CD2 3.1Å; Q263-H266 VanDerWaalsContact O-CD2 3.28Å; H266-V268 PolarHBondContact O-N 3.34Å; H266-I293 HydrophobicContact CB-CB 3.84Å; H266-I293 HydrophobicContact CB-CD1 3.97Å; H266-I293 HydrophobicContact CB-CG1 4.21Å
267S97.3Very high98.5Very high73 Ų7329.6 Ų29.651%0.5114%0.143SC..THydrogen-bonded Turntrans-67.8-21.8179.661.10000114.1H265H265-S267 PolarHBondContact O-N 3.1Å
268V98.3Very high98.5Very high7 Ų726.1 Ų26.14%0.04213%0.13CC..THydrogen-bonded Turntrans-107.1-17.5176.3-65.10000113.6L220 E228 V230 H265 H266L220-V268 HydrophobicContact CD2-CG2 4.13Å; E228-V268 WeakPolarHBondContact O-CG1 3.29Å; V230-V268 WeakPolarHBondContact CB-O 3.03Å; V230-V268 HydrophobicContact CG2-CB 4.29Å; V230-V268 HydrophobicContact CG2-CG2 4.33Å; V230-V268 PolarHBondContact N-O 2.96Å; H265-V268 HydrophobicContact CB-CG2 4.41Å; H265-V268 VanDerWaalsContact O-CG2 3.25Å; H265-V268 WeakPolarHBondContact O-CG2 3.43Å; H265-V268 PolarHBondContact O-N 2.67Å; H265-V268 VanDerWaalsContact O-N 3.1Å; H266-V268 PolarHBondContact O-N 3.34Å
269I98.6Very high98.5Very high5 Ų526.5 Ų26.53%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-84.7115.3-179.7-58.7165.5000109L220 I232 I262 H265 Q272L220-I269 HydrophobicContact CD1-CD1 4.21Å; L220-I269 HydrophobicContact CD2-CD1 4.24Å; L220-I269 HydrophobicContact CD2-CG1 3.89Å; I232-I269 HydrophobicContact CD1-CD1 3.79Å; I232-I269 HydrophobicContact CD1-CG1 4Å; I232-I269 HydrophobicContact CD1-CG2 3.99Å; I232-I269 HydrophobicContact CG1-CG2 4.3Å; I262-I269 HydrophobicContact CD1-CD1 3.75Å; H265-I269 HydrophobicContact CB-CD1 3.99Å; H265-I269 PolarHBondContact O-N 3.07Å; I269-Q272 HydrophobicContact CG2-CG 3.98Å
270I98Very high98.5Very high38 Ų3826 Ų2620%0.19513%0.13CC..EExtended strand (participates in β ladder)trans-105.4-18.2-174.3-48.6-55.9000112.7K229 V230 Y231 L331K229-I270 HydrophobicContact CB-CG1 3.97Å; K229-I270 HydrophobicContact CD-CD1 3.85Å; K229-I270 HydrophobicContact CD-CG1 3.88Å; K229-I270 HydrophobicContact CG-CG1 4.39Å; V230-I270 PolarHBondContact O-N 2.93Å; Y231-I270 HydrophobicContact CD1-CB 4.44Å; Y231-I270 HydrophobicContact CE1-CB 4.19Å; Y231-I270 HydrophobicContact CE1-CG2 4.43Å; I270-L331 HydrophobicContact CB-CB 4.11Å; I270-L331 HydrophobicContact CG1-CB 4.35Å; I270-L331 HydrophobicContact CG2-CB 4Å; I270-L331 WeakPolarHBondContact CG2-O 3.26Å
271G98.1Very high98.5Very high1 Ų122 Ų221%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-165.8150.6177.500000111.8Y231 I232Y231-G271 WeakPolarHBondContact CA-O 2.99Å; I232-G271 PolarHBondContact N-O 3.03Å
272Q98.9Very high98.6Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-129.8131.2174.6-53.6-18056.200108.7I232 Y258 I269 F274 S294 M296 F297I232-Q272 HydrophobicContact CB-CG 4.19Å; I232-Q272 CarbonylContact O-C 3.46Å; I232-Q272 VanDerWaalsContact O-CA 3.22Å; I232-Q272 WeakPolarHBondContact O-CA 3.15Å; Y258-Q272 PolarHBondContact OH-OE1 2.6Å; I269-Q272 HydrophobicContact CG2-CG 3.98Å; Q272-F274 HydrophobicContact CB-CD2 4.44Å; Q272-F274 HydrophobicContact CB-CE2 4.19Å; Q272-S294 PolarHBondContact NE2-OG 3.15Å; Q272-M296 HydrophobicContact CB-CB 3.81Å; Q272-M296 HydrophobicContact CB-CE 3.99Å; Q272-M296 HydrophobicContact CB-CG 3.91Å; Q272-M296 CarbonylContact O-C 3.43Å; Q272-M296 VanDerWaalsContact O-CA 3.31Å; Q272-M296 WeakPolarHBondContact O-CA 3.44Å; Q272-F297 PolarHBondContact O-N 2.74Å
273F98.9Very high98.6Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-132.5121.8-173.4-44.5-90.3000110.8F23 Y231 I232 I233 G234 F297 F324 V333F23-F273 HydrophobicContact CE2-CD1 4.44Å; F23-F273 HydrophobicContact CE2-CE1 4.19Å; F23-F273 HydrophobicContact CE2-CZ 4.33Å; F23-F273 HydrophobicContact CZ-CD1 4.43Å; F23-F273 AromaticContact CZ-CE1 3.74Å; F23-F273 HydrophobicContact CZ-CE1 3.74Å; F23-F273 HydrophobicContact CZ-CE2 4.27Å; F23-F273 AromaticContact CZ-CZ 3.65Å; F23-F273 HydrophobicContact CZ-CZ 3.65Å; Y231-F273 AromaticContact CD1-CE2 3.65Å; Y231-F273 HydrophobicContact CD1-CE2 3.65Å; Y231-F273 HydrophobicContact CD1-CZ 4.09Å; Y231-F273 AromaticContact CD2-CE2 3.99Å; Y231-F273 HydrophobicContact CD2-CE2 3.99Å; Y231-F273 HydrophobicContact CE1-CE2 4.05Å; Y231-F273 HydrophobicContact CE1-CZ 4.01Å; Y231-F273 HydrophobicContact CE2-CE2 4.37Å; Y231-F273 HydrophobicContact CE2-CZ 4.47Å; Y231-F273 AromaticContact CG-CE2 3.61Å; Y231-F273 HydrophobicContact CG-CE2 3.61Å; Y231-F273 HydrophobicContact CG-CZ 4.35Å; I232-F273 PolarHBondContact O-N 3.5Å; I233-F273 WeakPolarHBondContact CA-O 3.42Å; I233-F273 HydrophobicContact CG2-CB 3.68Å; I233-F273 HydrophobicContact CG2-CD2 4.04Å; I233-F273 HydrophobicContact CG2-CG 4.33Å; I233-F273 WeakPolarHBondContact CG2-O 3.41Å; G234-F273 PolarHBondContact N-O 3.25Å; F273-F297 HydrophobicContact CD1-CB 4.31Å; F273-F297 HydrophobicContact CD1-CD2 4.08Å; F273-F297 AromaticContact CE1-CD2 3.87Å; F273-F297 HydrophobicContact CE1-CD2 3.87Å; F273-F297 HydrophobicContact CE1-CE2 4.47Å; F273-F324 HydrophobicContact CD1-CD1 4.35Å; F273-F324 HydrophobicContact CD1-CD2 4.43Å; F273-F324 AromaticContact CD1-CE1 3.85Å; F273-F324 HydrophobicContact CD1-CE1 3.85Å; F273-F324 AromaticContact CD1-CE2 3.92Å; F273-F324 HydrophobicContact CD1-CE2 3.92Å; F273-F324 AromaticContact CD1-CZ 3.6Å; F273-F324 HydrophobicContact CD1-CZ 3.6Å; F273-F324 AromaticContact CE1-CD1 3.76Å; F273-F324 HydrophobicContact CE1-CD1 3.76Å; F273-F324 HydrophobicContact CE1-CD2 4.42Å; F273-F324 AromaticContact CE1-CE1 3.57Å; F273-F324 HydrophobicContact CE1-CE1 3.57Å; F273-F324 HydrophobicContact CE1-CE2 4.25Å; F273-F324 HydrophobicContact CE1-CG 4.18Å; F273-F324 AromaticContact CE1-CZ 3.84Å; F273-F324 HydrophobicContact CE1-CZ 3.84Å; F273-V333 HydrophobicContact CE1-CG2 4.22Å; F273-V333 HydrophobicContact CZ-CG2 3.96Å
274F98.9Very high98.6Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-138.9166.8-170.4-77.2-108.8000111.9H25 T193 I232 G234 I236 P237 Q272 M296 F297 L298 S299H25-F274 PolarHBondContact CE1-O 3.11Å; H25-F274 VanDerWaalsContact CE1-O 3.26Å; T193-F274 HydrophobicContact CG2-CE1 3.96Å; T193-F274 HydrophobicContact CG2-CZ 4.44Å; I232-F274 HydrophobicContact CG2-CE2 4.3Å; I232-F274 HydrophobicContact CG2-CZ 4.41Å; G234-F274 VanDerWaalsContact C-CD1 3.49Å; G234-F274 VanDerWaalsContact O-CA 3.3Å; G234-F274 WeakPolarHBondContact O-CA 3.46Å; G234-F274 VanDerWaalsContact O-CD1 3.31Å; G234-F274 WeakPolarHBondContact O-CD1 3.26Å; G234-F274 WeakPolarHBondContact O-CG 3.18Å; I236-F274 WeakPolarHBondContact O-CD1 3.47Å; I236-F274 VanDerWaalsContact O-CE1 3.29Å; I236-F274 WeakPolarHBondContact O-CE1 3.19Å; P237-F274 HydrophobicContact CB-CB 4.1Å; P237-F274 HydrophobicContact CB-CD1 4.02Å; P237-F274 HydrophobicContact CB-CG 4.23Å; Q272-F274 HydrophobicContact CB-CD2 4.44Å; Q272-F274 HydrophobicContact CB-CE2 4.19Å; F274-M296 HydrophobicContact CB-CG 4.49Å; F274-M296 HydrophobicContact CB-SD 4.25Å; F274-M296 HydrophobicContact CD2-CE 3.58Å; F274-M296 HydrophobicContact CD2-CG 3.78Å; F274-M296 HydrophobicContact CD2-SD 3.61Å; F274-M296 HydrophobicContact CE2-CE 3.41Å; F274-M296 VanDerWaalsContact CE2-CE 3.41Å; F274-M296 HydrophobicContact CE2-CG 4.47Å; F274-M296 HydrophobicContact CE2-SD 4.1Å; F274-M296 HydrophobicContact CG-CE 4.29Å; F274-M296 HydrophobicContact CG-CG 4.4Å; F274-M296 HydrophobicContact CG-SD 3.91Å; F274-M296 HydrophobicContact CZ-CE 3.91Å; F274-F297 PolarHBondContact N-O 3.02Å; F274-L298 HydrophobicContact CB-CD2 3.59Å; F274-L298 WeakPolarHBondContact O-CA 3.46Å; F274-S299 PolarHBondContact O-N 2.85Å
275G98.9Very high98.6Very high0 Ų013 Ų130%07%0.071CC..  trans-126.3-126.8179.500000112T27 D28 H235 H277T27-G275 WeakPolarHBondContact OG1-CA 3.44Å; D28-G275 WeakPolarHBondContact OD2-CA 3.42Å; H235-G275 CarbonylContact O-C 3.53Å; H235-G275 PolarHBondContact O-N 3.39Å; H235-G275 VanDerWaalsContact O-N 3.15Å; G275-H277 PolarHBondContact O-N 3.21Å
276H98.9Very high98.6Very high19 Ų1913.5 Ų13.59%0.0887%0.073CC..SBendtrans70.1-36.7172.7-171.862000115.9D28 N134 H235 W249 H278D28-H276 WeakPolarHBondContact OD1-CA 3.4Å; D28-H276 PolarHBondContact OD1-N 3.22Å; D28-H276 VanDerWaalsContact OD1-N 3.12Å; D28-H276 PolarHBondContact OD2-N 3.08Å; N134-H276 PolarHBondContact OD1-CE1 2.77Å; N134-H276 PolarHBondContact OD1-ND1 3.41Å; H235-H276 AromaticContact CD2-ND1 3.82Å; H235-H276 PolarHBondContact CE1-N 2.93Å; H235-H276 WeakPolarHBondContact NE2-CB 3.44Å; H235-H276 AromaticContact NE2-CG 3.65Å; H235-H276 AromaticContact NE2-ND1 3.13Å; H235-H276 PolarHBondContact NE2-ND1 2.86Å; H235-H276 VanDerWaalsContact NE2-ND1 3.13Å; W249-H276 AromaticContact CD1-CD2 3.69Å; W249-H276 AromaticContact CD2-CD2 3.95Å; W249-H276 AromaticContact CD2-NE2 3.61Å; W249-H276 AromaticContact CE2-CD2 3.7Å; W249-H276 AromaticContact CE2-NE2 3.69Å; W249-H276 AromaticContact CG-CD2 3.91Å; W249-H276 AromaticContact CG-NE2 3.87Å; W249-H276 AromaticContact NE1-CD2 3.57Å; H276-H278 VanDerWaalsContact C-N 3.31Å; H276-H278 PolarHBondContact O-CD2 2.99Å
277H98.9Very high98.5Very high10 Ų1011.2 Ų11.25%0.0466%0.064CC..SBendtrans-79-18.7-176.9-71.3-162.7000113P237 F241 E242 W249 G275 T279 R283 L298P237-H277 VanDerWaalsContact CG-NE2 3.26Å; P237-H277 WeakPolarHBondContact CG-NE2 3.25Å; F241-H277 HydrophobicContact CD2-CB 4.26Å; F241-H277 AromaticContact CD2-CE1 3.87Å; F241-H277 AromaticContact CD2-CG 3.78Å; F241-H277 AromaticContact CD2-ND1 3.51Å; F241-H277 HydrophobicContact CE2-CB 3.98Å; E242-H277 IonicContact OE2-CE1 2.79Å; E242-H277 IonicContact OE2-ND1 2.73Å; E242-H277 PolarHBondContact OE2-ND1 2.98Å; W249-H277 AromaticContact CD1-NE2 3.48Å; W249-H277 AromaticContact CE2-NE2 3.93Å; W249-H277 AromaticContact NE1-CD2 3.29Å; W249-H277 PolarHBondContact NE1-CD2 2.89Å; W249-H277 VanDerWaalsContact NE1-CD2 3.29Å; W249-H277 AromaticContact NE1-CE1 3.88Å; W249-H277 AromaticContact NE1-NE2 2.8Å; W249-H277 PolarHBondContact NE1-NE2 3.4Å; G275-H277 PolarHBondContact O-N 3.21Å; H277-T279 WeakPolarHBondContact CB-OG1 3.41Å; H277-T279 PolarHBondContact O-N 3.15Å; H277-T279 PolarHBondContact O-OG1 2.62Å; H277-R283 PolarHBondContact CE1-NH2 2.93Å; H277-R283 VanDerWaalsContact CE1-NH2 3.33Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.42Å
278H98.8Very high98.1Very high14 Ų1413.2 Ų13.27%0.0657%0.073CC..  trans60.7-12-168.4-48.8-179.3000115D28 H30 H97 H276 P300 G301 N317D28-H278 IonicContact OD1-CD2 3.9Å; D28-H278 PolarHBondContact OD1-CD2 3.39Å; D28-H278 IonicContact OD1-NE2 3.61Å; D28-H278 PolarHBondContact OD1-NE2 2.82Å; H30-H278 AromaticContact CD2-CE1 3.95Å; H30-H278 AromaticContact CD2-NE2 3.8Å; H30-H278 AromaticContact NE2-CE1 3.74Å; H30-H278 AromaticContact NE2-NE2 3.27Å; H30-H278 PolarHBondContact NE2-NE2 2.87Å; H97-H278 AromaticContact CE1-CE1 3.62Å; H276-H278 VanDerWaalsContact C-N 3.31Å; H276-H278 PolarHBondContact O-CD2 2.99Å; H278-P300 CarbonylContact O-C 3.6Å; H278-P300 WeakPolarHBondContact O-CA 3.4Å; H278-P300 VanDerWaalsContact O-CB 3.28Å; H278-P300 WeakPolarHBondContact O-CB 3.17Å; H278-G301 PolarHBondContact O-N 2.89Å; H278-N317 WeakPolarHBondContact CB-OD1 3.48Å
279T98.9Very high97.8Very high8 Ų819.6 Ų19.65%0.04910%0.102CC..SBendtrans-96.7153.5179.449.10000112.1E242 K243 H277 S281 N394E242-T279 WeakPolarHBondContact OE1-CB 3.37Å; E242-T279 PolarHBondContact OE1-OG1 2.88Å; K243-T279 HydrophobicContact CD-CG2 4.34Å; K243-T279 HydrophobicContact CG-CG2 4.13Å; H277-T279 WeakPolarHBondContact CB-OG1 3.41Å; H277-T279 PolarHBondContact O-N 3.15Å; H277-T279 PolarHBondContact O-OG1 2.62Å; T279-S281 PolarHBondContact O-N 3.25Å; T279-N394 CarbonylContact C-O 3.55Å; T279-N394 WeakPolarHBondContact CA-O 3.42Å; T279-N394 WeakPolarHBondContact CB-O 3.42Å; T279-N394 WeakPolarHBondContact CG2-O 3.49Å
280D98.9Very high97.4Very high8 Ų821.1 Ų21.14%0.04312%0.119CC..  trans-79.2116.3175-177.9-1.8000110.9P300 R322 Y357 F393 N394D280-P300 HydrophobicContact CB-CG 4.45Å; D280-R322 IonicContact OD1-CZ 2.74Å; D280-R322 IonicContact OD1-NH1 3.25Å; D280-R322 IonicContact OD1-NH2 3.45Å; D280-R322 PolarHBondContact OD1-NH2 2.86Å; D280-R322 IonicContact OD2-CZ 3.78Å; D280-R322 IonicContact OD2-NH2 3.71Å; D280-R322 PolarHBondContact OD2-NH2 2.8Å; D280-Y357 PolarHBondContact OD1-OH 2.93Å; D280-Y357 WeakPolarHBondContact OD2-CE1 3.41Å; D280-Y357 VanDerWaalsContact OD2-CZ 3.26Å; D280-Y357 PolarHBondContact OD2-OH 3.3Å; D280-F393 VanDerWaalsContact CB-O 3.25Å; D280-F393 WeakPolarHBondContact CB-O 3.42Å; D280-N394 PolarHBondContact N-O 2.89Å; D280-N394 WeakPolarHBondContact O-CA 3.33Å; D280-N394 PolarHBondContact O-ND2 3.19Å
281S98.9Very high97.4Very high1 Ų124.5 Ų24.51%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-154.4179.3177.5-162.70000112.8T279 R283 L298 Y390T279-S281 PolarHBondContact O-N 3.25Å; S281-R283 PolarHBondContact OG-NH1 2.61Å; S281-L298 PolarHBondContact N-O 3.02Å; S281-L298 VanDerWaalsContact N-O 3.15Å; S281-L298 WeakPolarHBondContact O-CA 3.46Å; S281-L298 WeakPolarHBondContact O-CB 3.23Å; S281-L298 PolarHBondContact O-N 3.49Å; S281-L298 VanDerWaalsContact O-O 3.12Å; S281-Y390 PolarHBondContact OG-OH 2.87Å
282F98.9Very high97.4Very high7 Ų726.5 Ų26.53%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-145.1161172.768.4-81.6000111M284 M296 M373 V376 L377 M380 Y390 A415F282-M284 HydrophobicContact CD2-CG 4.16Å; F282-M284 HydrophobicContact CD2-SD 4Å; F282-M284 HydrophobicContact CE2-CG 3.86Å; F282-M284 HydrophobicContact CE2-SD 3.94Å; F282-M296 CarbonylContact C-O 3.54Å; F282-M296 WeakPolarHBondContact CA-O 3.44Å; F282-M296 VanDerWaalsContact CB-O 3.26Å; F282-M296 WeakPolarHBondContact CB-O 3.11Å; F282-M373 HydrophobicContact CB-CE 4.04Å; F282-M373 HydrophobicContact CD1-CE 3.74Å; F282-M373 HydrophobicContact CD2-CE 3.63Å; F282-M373 HydrophobicContact CE1-CE 4.06Å; F282-M373 HydrophobicContact CE2-CE 3.94Å; F282-M373 HydrophobicContact CG-CE 3.52Å; F282-M373 HydrophobicContact CZ-CE 4.15Å; F282-V376 HydrophobicContact CE1-CG1 4.16Å; F282-V376 HydrophobicContact CZ-CB 4.48Å; F282-V376 HydrophobicContact CZ-CG1 4.14Å; F282-L377 HydrophobicContact CE2-CB 4.08Å; F282-L377 HydrophobicContact CZ-CB 3.97Å; F282-M380 HydrophobicContact CE1-CE 4.26Å; F282-M380 HydrophobicContact CE1-SD 3.74Å; F282-M380 HydrophobicContact CZ-SD 3.97Å; F282-Y390 HydrophobicContact CD1-CE2 4.13Å; F282-Y390 HydrophobicContact CE1-CD2 4.39Å; F282-Y390 AromaticContact CE1-CE2 3.99Å; F282-Y390 HydrophobicContact CE1-CE2 3.99Å; F282-A415 HydrophobicContact CE2-CB 4.48Å; F282-A415 HydrophobicContact CZ-CB 4.39Å; F282-A415 WeakPolarHBondContact O-CA 3.33Å
283R98.9Very high97.3Very high0 Ų027.4 Ų27.40%015%0.154CC..EExtended strand (participates in β ladder)trans-127.2134.1175.1-58.1-68.7175.9-86.53.9110.5F240 E242 H277 S281 F285 A295 M296 L298 A414 V418F240-R283 PolarHBondContact O-NE 2.99Å; F240-R283 PolarHBondContact O-NH2 3.28Å; E242-R283 IonicContact OE2-CZ 3.01Å; E242-R283 IonicContact OE2-NH2 3.01Å; E242-R283 PolarHBondContact OE2-NH2 3.27Å; H277-R283 PolarHBondContact CE1-NH2 2.93Å; H277-R283 VanDerWaalsContact CE1-NH2 3.33Å; S281-R283 PolarHBondContact OG-NH1 2.61Å; R283-F285 HydrophobicContact CB-CE2 4.09Å; R283-A295 WeakPolarHBondContact O-CA 3.46Å; R283-M296 HydrophobicContact CB-CB 4.19Å; R283-M296 PolarHBondContact N-O 3.49Å; R283-M296 PolarHBondContact O-N 3.46Å; R283-L298 HydrophobicContact CG-CD1 4.32Å; R283-A414 WeakPolarHBondContact CD-O 3.48Å; R283-A414 PolarHBondContact NE-O 3.28Å; R283-V418 HydrophobicContact CB-CG2 3.79Å; R283-V418 HydrophobicContact CG-CG2 4.3Å
284M98.8Very high97.3Very high2 Ų227.4 Ų27.41%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-94.2142175.6-65.6-56.6-5700111.1F282 Y286 P292 A295 P370 M373 H374 L377 A415F282-M284 HydrophobicContact CD2-CG 4.16Å; F282-M284 HydrophobicContact CD2-SD 4Å; F282-M284 HydrophobicContact CE2-CG 3.86Å; F282-M284 HydrophobicContact CE2-SD 3.94Å; M284-Y286 HydrophobicContact CB-CD2 4.31Å; M284-Y286 HydrophobicContact CB-CE2 3.39Å; M284-Y286 WeakPolarHBondContact CB-OH 3.43Å; M284-Y286 HydrophobicContact CG-CE2 4.44Å; M284-P292 HydrophobicContact CE-CB 3.85Å; M284-A295 HydrophobicContact SD-CB 4.27Å; M284-P370 WeakPolarHBondContact CE-O 3.47Å; M284-M373 HydrophobicContact CE-CB 4.39Å; M284-M373 HydrophobicContact SD-CB 3.63Å; M284-H374 HydrophobicContact CE-CB 3.93Å; M284-L377 HydrophobicContact CB-CD2 4.48Å; M284-L377 HydrophobicContact CG-CD2 3.87Å; M284-A415 PolarHBondContact N-O 2.89Å
285F98.8Very high97.2Very high5 Ų527.6 Ų27.62%0.02216%0.156CC..EExtended strand (participates in β ladder)trans-120.9138.3173.3-64.9-102000109P238 Y258 L259 I262 R283 I293 S294 M296 V418P238-F285 HydrophobicContact CG-CZ 4.14Å; Y258-F285 HydrophobicContact CD1-CE1 4.39Å; Y258-F285 HydrophobicContact CE1-CE1 4.2Å; Y258-F285 HydrophobicContact CE1-CZ 4.27Å; L259-F285 HydrophobicContact CD2-CD1 3.59Å; L259-F285 HydrophobicContact CD2-CE1 3.58Å; I262-F285 HydrophobicContact CB-CD1 4.23Å; I262-F285 HydrophobicContact CG1-CD1 4.38Å; I262-F285 HydrophobicContact CG1-CE1 4.25Å; I262-F285 HydrophobicContact CG2-CB 4.18Å; I262-F285 HydrophobicContact CG2-CD1 3.82Å; I262-F285 HydrophobicContact CG2-CE1 4.46Å; I262-F285 HydrophobicContact CG2-CG 4.05Å; R283-F285 HydrophobicContact CB-CE2 4.09Å; F285-I293 HydrophobicContact CB-CG1 4.13Å; F285-I293 VanDerWaalsContact O-CG1 3.31Å; F285-I293 WeakPolarHBondContact O-CG1 3.45Å; F285-I293 PolarHBondContact O-N 3.45Å; F285-S294 PolarHBondContact N-O 2.83Å; F285-M296 HydrophobicContact CE2-CB 3.78Å; F285-M296 HydrophobicContact CE2-CE 4.11Å; F285-M296 HydrophobicContact CZ-CE 3.84Å; F285-V418 HydrophobicContact CE1-CB 4.31Å; F285-V418 HydrophobicContact CE1-CG1 4.04Å; F285-V418 HydrophobicContact CE1-CG2 4.12Å; F285-V418 HydrophobicContact CE2-CG2 4.25Å; F285-V418 HydrophobicContact CZ-CG1 4.24Å; F285-V418 HydrophobicContact CZ-CG2 3.92Å
286Y98.3Very high97.2Very high17 Ų1727.6 Ų27.67%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-129.1152.7-174.8-59.7-87.6000112.1Q263 M284 G290 L291 P292 H374 L377 R416Q263-Y286 PolarHBondContact NE2-O 3.46Å; Q263-Y286 VanDerWaalsContact NE2-O 3.1Å; M284-Y286 HydrophobicContact CB-CD2 4.31Å; M284-Y286 HydrophobicContact CB-CE2 3.39Å; M284-Y286 WeakPolarHBondContact CB-OH 3.43Å; M284-Y286 HydrophobicContact CG-CE2 4.44Å; Y286-G290 WeakPolarHBondContact CD1-O 3.46Å; Y286-L291 CarbonylContact C-O 3.48Å; Y286-L291 WeakPolarHBondContact CA-O 3.45Å; Y286-P292 HydrophobicContact CD1-CB 4.12Å; Y286-P292 HydrophobicContact CE1-CB 3.89Å; Y286-H374 AromaticContact CE1-ND1 3.64Å; Y286-H374 AromaticContact CZ-ND1 3.78Å; Y286-H374 PolarHBondContact OH-ND1 3.46Å; Y286-L377 WeakPolarHBondContact OH-CD2 3.29Å; Y286-R416 HydrophobicContact CE2-CG 4.32Å; Y286-R416 WeakPolarHBondContact CE2-O 3.42Å
287T94.8Very high97.2Very high20 Ų2027 Ų2712%0.12315%0.153CC..  trans-66.4172.3162.272.80000111.1E289 G290 L291 I293T287-E289 VanDerWaalsContact CB-OE2 3.27Å; T287-E289 WeakPolarHBondContact CB-OE2 3.4Å; T287-E289 PolarHBondContact O-N 2.97Å; T287-E289 PolarHBondContact OG1-N 3.43Å; T287-E289 PolarHBondContact OG1-OE2 2.96Å; T287-G290 PolarHBondContact O-N 2.97Å; T287-G290 PolarHBondContact OG1-N 3.08Å; T287-L291 HydrophobicContact CG2-CB 4.14Å; T287-L291 PolarHBondContact N-O 2.97Å; T287-L291 PolarHBondContact OG1-N 3.29Å; T287-I293 HydrophobicContact CG2-CD1 4.36Å; T287-I293 HydrophobicContact CG2-CG2 3.34Å
288T89.4Confident97.2Very high115 Ų11526.6 Ų26.671%0.70615%0.151SC*.THydrogen-bonded Turntrans-59.9-27.6171.136.70000113.1G290T288-G290 VanDerWaalsContact C-N 3.31Å
289E91.3Very high97.2Very high142 Ų14226 Ų2666%0.66415%0.148SC*.THydrogen-bonded Turntrans-86.2-2176.9-55.167-136.700112.7T287T287-E289 VanDerWaalsContact CB-OE2 3.27Å; T287-E289 WeakPolarHBondContact CB-OE2 3.4Å; T287-E289 PolarHBondContact O-N 2.97Å; T287-E289 PolarHBondContact OG1-N 3.43Å; T287-E289 PolarHBondContact OG1-OE2 2.96Å
290G92Very high97.2Very high36 Ų3625.7 Ų25.737%0.37115%0.147SC..  trans8616.7177.600000115.1Y286 T287 T288Y286-G290 WeakPolarHBondContact CD1-O 3.46Å; T287-G290 PolarHBondContact O-N 2.97Å; T287-G290 PolarHBondContact OG1-N 3.08Å; T288-G290 VanDerWaalsContact C-N 3.31Å
291L96.4Very high97.2Very high109 Ų10925.3 Ų25.357%0.57115%0.145SC*.  trans-79.6132.1175-63.4174.9000110.5Y286 T287 I293Y286-L291 CarbonylContact C-O 3.48Å; Y286-L291 WeakPolarHBondContact CA-O 3.45Å; T287-L291 HydrophobicContact CG2-CB 4.14Å; T287-L291 PolarHBondContact N-O 2.97Å; T287-L291 PolarHBondContact OG1-N 3.29Å; L291-I293 PolarHBondContact O-N 2.89Å
292P97.8Very high97.2Very high43 Ų4325.3 Ų25.328%0.27915%0.145SC..EExtended strand (participates in β ladder)trans-68.8123.7176.627.7-32.9000110.2M284 Y286 P370 H374M284-P292 HydrophobicContact CE-CB 3.85Å; Y286-P292 HydrophobicContact CD1-CB 4.12Å; Y286-P292 HydrophobicContact CE1-CB 3.89Å; P292-P370 HydrophobicContact CB-CB 4.39Å; P292-H374 HydrophobicContact CB-CB 4.11Å; P292-H374 HydrophobicContact CG-CB 4.17Å
293I97.8Very high97.2Very high19 Ų1925 Ų2510%0.09714%0.143CC..EExtended strand (participates in β ladder)trans-118.2-22.3-173.954.6175.5000114.2Q263 H266 F285 T287 L291Q263-I293 HydrophobicContact CG-CD1 4.1Å; H266-I293 HydrophobicContact CB-CB 3.84Å; H266-I293 HydrophobicContact CB-CD1 3.97Å; H266-I293 HydrophobicContact CB-CG1 4.21Å; F285-I293 HydrophobicContact CB-CG1 4.13Å; F285-I293 VanDerWaalsContact O-CG1 3.31Å; F285-I293 WeakPolarHBondContact O-CG1 3.45Å; F285-I293 PolarHBondContact O-N 3.45Å; T287-I293 HydrophobicContact CG2-CD1 4.36Å; T287-I293 HydrophobicContact CG2-CG2 3.34Å; L291-I293 PolarHBondContact O-N 2.89Å
294S98.3Very high97.2Very high1 Ų125 Ų251%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-154.5151.9175-168.90000110Q272 F285Q272-S294 PolarHBondContact NE2-OG 3.15Å; F285-S294 PolarHBondContact N-O 2.83Å
295A98.1Very high97.2Very high4 Ų425.6 Ų25.63%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-115.5141162.700000108.8R283 M284 F297 M373R283-A295 WeakPolarHBondContact O-CA 3.46Å; M284-A295 HydrophobicContact SD-CB 4.27Å; A295-F297 HydrophobicContact CB-CE2 4.46Å; A295-F297 HydrophobicContact CB-CZ 4.37Å; A295-M373 HydrophobicContact CB-CB 4.02Å; A295-M373 HydrophobicContact CB-CG 3.88Å
296M98.9Very high97.2Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-111.5132.7168.7173.9-176.3-68.700108.5P237 P238 Y258 Q272 F274 F282 R283 F285 L298P237-M296 HydrophobicContact CB-SD 3.87Å; P238-M296 HydrophobicContact CG-CE 3.91Å; P238-M296 HydrophobicContact CG-SD 4.45Å; Y258-M296 HydrophobicContact CE1-CE 4.14Å; Q272-M296 HydrophobicContact CB-CB 3.81Å; Q272-M296 HydrophobicContact CB-CE 3.99Å; Q272-M296 HydrophobicContact CB-CG 3.91Å; Q272-M296 CarbonylContact O-C 3.43Å; Q272-M296 VanDerWaalsContact O-CA 3.31Å; Q272-M296 WeakPolarHBondContact O-CA 3.44Å; F274-M296 HydrophobicContact CB-CG 4.49Å; F274-M296 HydrophobicContact CB-SD 4.25Å; F274-M296 HydrophobicContact CD2-CE 3.58Å; F274-M296 HydrophobicContact CD2-CG 3.78Å; F274-M296 HydrophobicContact CD2-SD 3.61Å; F274-M296 HydrophobicContact CE2-CE 3.41Å; F274-M296 VanDerWaalsContact CE2-CE 3.41Å; F274-M296 HydrophobicContact CE2-CG 4.47Å; F274-M296 HydrophobicContact CE2-SD 4.1Å; F274-M296 HydrophobicContact CG-CE 4.29Å; F274-M296 HydrophobicContact CG-CG 4.4Å; F274-M296 HydrophobicContact CG-SD 3.91Å; F274-M296 HydrophobicContact CZ-CE 3.91Å; F282-M296 CarbonylContact C-O 3.54Å; F282-M296 WeakPolarHBondContact CA-O 3.44Å; F282-M296 VanDerWaalsContact CB-O 3.26Å; F282-M296 WeakPolarHBondContact CB-O 3.11Å; R283-M296 HydrophobicContact CB-CB 4.19Å; R283-M296 PolarHBondContact N-O 3.49Å; R283-M296 PolarHBondContact O-N 3.46Å; F285-M296 HydrophobicContact CE2-CB 3.78Å; F285-M296 HydrophobicContact CE2-CE 4.11Å; F285-M296 HydrophobicContact CZ-CE 3.84Å; M296-L298 HydrophobicContact CG-CD2 3.96Å; M296-L298 HydrophobicContact SD-CD2 3.87Å
297F98.9Very high97.1Very high7 Ų728.8 Ų28.83%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-100.7126.1176.8-59.2-83.6000109.3Q272 F273 F274 A295 F324 V333 V336 L359 A368 M373Q272-F297 PolarHBondContact O-N 2.74Å; F273-F297 HydrophobicContact CD1-CB 4.31Å; F273-F297 HydrophobicContact CD1-CD2 4.08Å; F273-F297 AromaticContact CE1-CD2 3.87Å; F273-F297 HydrophobicContact CE1-CD2 3.87Å; F273-F297 HydrophobicContact CE1-CE2 4.47Å; F274-F297 PolarHBondContact N-O 3.02Å; A295-F297 HydrophobicContact CB-CE2 4.46Å; A295-F297 HydrophobicContact CB-CZ 4.37Å; F297-F324 HydrophobicContact CB-CE1 4.03Å; F297-F324 HydrophobicContact CB-CZ 3.73Å; F297-F324 HydrophobicContact CD1-CE1 4.11Å; F297-F324 AromaticContact CD2-CE1 3.78Å; F297-F324 HydrophobicContact CD2-CE1 3.78Å; F297-F324 HydrophobicContact CD2-CZ 4.3Å; F297-F324 HydrophobicContact CE2-CE1 4.27Å; F297-F324 AromaticContact CG-CE1 3.69Å; F297-F324 HydrophobicContact CG-CE1 3.69Å; F297-F324 AromaticContact CG-CZ 3.94Å; F297-F324 HydrophobicContact CG-CZ 3.94Å; F297-V333 HydrophobicContact CE2-CG2 4.35Å; F297-V336 HydrophobicContact CD1-CG2 4.23Å; F297-V336 HydrophobicContact CE1-CG2 3.94Å; F297-V336 HydrophobicContact CZ-CG2 4.41Å; F297-L359 HydrophobicContact CE1-CD1 4.3Å; F297-A368 HydrophobicContact CE1-CB 4.34Å; F297-A368 HydrophobicContact CZ-CB 3.9Å; F297-M373 HydrophobicContact CE1-CE 4.13Å; F297-M373 HydrophobicContact CE1-CG 4.29Å; F297-M373 HydrophobicContact CE1-SD 4Å; F297-M373 HydrophobicContact CZ-CG 4.23Å; F297-M373 HydrophobicContact CZ-SD 4.42Å
298L98.9Very high97.2Very high0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-100.3113172.3-51.5-171.4000107P237 F274 H277 S281 R283 M296 R322P237-L298 HydrophobicContact CB-CD1 4.49Å; P237-L298 HydrophobicContact CB-CD2 3.64Å; P237-L298 HydrophobicContact CG-CD1 4.18Å; P237-L298 HydrophobicContact CG-CD2 3.95Å; F274-L298 HydrophobicContact CB-CD2 3.59Å; F274-L298 WeakPolarHBondContact O-CA 3.46Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.42Å; S281-L298 PolarHBondContact N-O 3.02Å; S281-L298 VanDerWaalsContact N-O 3.15Å; S281-L298 WeakPolarHBondContact O-CA 3.46Å; S281-L298 WeakPolarHBondContact O-CB 3.23Å; S281-L298 PolarHBondContact O-N 3.49Å; S281-L298 VanDerWaalsContact O-O 3.12Å; R283-L298 HydrophobicContact CG-CD1 4.32Å; M296-L298 HydrophobicContact CG-CD2 3.96Å; M296-L298 HydrophobicContact SD-CD2 3.87Å; L298-R322 PolarHBondContact O-NH1 3.12Å
299S98.9Very high97.5Very high1 Ų127.9 Ų27.91%0.00716%0.157CC..PPolyproline II helixtrans-87.2142.4-179-68.80000110.9H25 T27 F274 R322H25-S299 PolarHBondContact CE1-OG 3.41Å; H25-S299 WeakPolarHBondContact ND1-CB 3.14Å; H25-S299 PolarHBondContact ND1-OG 2.97Å; T27-S299 WeakPolarHBondContact CG2-O 3.27Å; F274-S299 PolarHBondContact O-N 2.85Å; S299-R322 WeakPolarHBondContact OG-CD 3.41Å; S299-R322 PolarHBondContact OG-NH1 2.82Å
300P98.9Very high97.7Very high3 Ų325.9 Ų25.92%0.01916%0.156CC..PPolyproline II helixtrans-69.2157.3176.930.2-35.5000111.4T27 H278 D280 T338 V396T27-P300 WeakPolarHBondContact CG2-O 3.41Å; H278-P300 CarbonylContact O-C 3.6Å; H278-P300 WeakPolarHBondContact O-CA 3.4Å; H278-P300 VanDerWaalsContact O-CB 3.28Å; H278-P300 WeakPolarHBondContact O-CB 3.17Å; D280-P300 HydrophobicContact CB-CG 4.45Å; P300-T338 HydrophobicContact CG-CG2 4.17Å; P300-V396 HydrophobicContact CB-CG2 3.32Å; P300-V396 HydrophobicContact CG-CG2 3.82Å
301G98.9Very high97.8Very high0 Ų027.5 Ų27.50%017%0.172CC..PPolyproline II helixtrans-78.6156.2179.300000112.8T27 H278 N317 G320T27-G301 WeakPolarHBondContact O-CA 3.24Å; H278-G301 PolarHBondContact O-N 2.89Å; G301-N317 PolarHBondContact O-ND2 2.95Å; G301-G320 PolarHBondContact O-N 3.39Å
302V98.9Very high97.7Very high1 Ų123.2 Ų23.21%0.00615%0.151CC..SBendtrans-75.3-33.9165.8175.90000109.9T27 D28 L29 L70 I71 P319 I321T27-V302 PolarHBondContact O-N 2.67Å; D28-V302 PolarHBondContact O-N 2.98Å; L29-V302 HydrophobicContact CD1-CG2 4.33Å; L29-V302 HydrophobicContact CG-CB 4.42Å; L29-V302 HydrophobicContact CG-CG2 4.35Å; L70-V302 HydrophobicContact CD2-CG1 4.46Å; L70-V302 HydrophobicContact CG-CG1 4.13Å; I71-V302 HydrophobicContact CD1-CG1 4.33Å; V302-P319 WeakPolarHBondContact O-CA 3.49Å; V302-P319 WeakPolarHBondContact O-CB 3.45Å; V302-P319 WeakPolarHBondContact O-CG 3.35Å; V302-I321 HydrophobicContact CG2-CG2 4.1Å
303T98.9Very high97.5Very high0 Ų030 Ų300%018%0.176CC..  trans-63.1136.1174.2-168.10000111D28 H30 D65 W305 N317D28-T303 PolarHBondContact O-N 3.1Å; H30-T303 HydrophobicContact CB-CG2 4.13Å; H30-T303 VanDerWaalsContact CD2-CG2 3.49Å; H30-T303 WeakPolarHBondContact CD2-CG2 3.45Å; D65-T303 WeakPolarHBondContact CA-OG1 3.28Å; D65-T303 PolarHBondContact OD1-OG1 2.75Å; T303-W305 VanDerWaalsContact C-N 3.28Å; T303-W305 HydrophobicContact CG2-CB 4.31Å; T303-W305 WeakPolarHBondContact OG1-CB 3.25Å; T303-W305 PolarHBondContact OG1-N 2.85Å; T303-N317 PolarHBondContact O-ND2 2.89Å
304P98.8Very high97.3Very high0 Ų032.4 Ų32.40%019%0.189CC..  trans-907.5173.137.6-36.2000112.9Y62 L70 E306 N317 P319 L343Y62-P304 HydrophobicContact CD1-CB 3.85Å; Y62-P304 HydrophobicContact CE1-CB 4.27Å; L70-P304 HydrophobicContact CD2-CG 4.44Å; P304-E306 PolarHBondContact O-N 3.34Å; P304-N317 VanDerWaalsContact CA-O 3.22Å; P304-N317 WeakPolarHBondContact CA-O 3.35Å; P304-N317 WeakPolarHBondContact CB-O 3.49Å; P304-P319 HydrophobicContact CB-CG 4.31Å; P304-L343 HydrophobicContact CB-CD2 3.64Å; P304-L343 HydrophobicContact CG-CD2 3.7Å
305W98.6Very high97.2Very high14 Ų1432.9 Ų32.95%0.05319%0.194CC..PPolyproline II helixtrans-57.3123.7-167.7176.987.6000113S47 Y62 C64 D65 H97 T303 T307 T308S47-W305 PolarHBondContact O-NE1 3.23Å; S47-W305 VanDerWaalsContact O-NE1 3.17Å; Y62-W305 CarbonylContact O-C 3.52Å; Y62-W305 WeakPolarHBondContact O-CA 3.48Å; C64-W305 WeakPolarHBondContact O-CA 3.48Å; D65-W305 VanDerWaalsContact OD1-CB 3.27Å; D65-W305 WeakPolarHBondContact OD1-CB 3.35Å; H97-W305 HydrophobicContact CB-CD2 4.45Å; H97-W305 HydrophobicContact CB-CH2 4.43Å; H97-W305 HydrophobicContact CB-CZ2 3.9Å; H97-W305 AromaticContact CD2-CH2 3.68Å; H97-W305 AromaticContact CD2-CZ3 3.71Å; H97-W305 AromaticContact CE1-CE3 3.79Å; H97-W305 AromaticContact CE1-CZ3 3.99Å; H97-W305 AromaticContact CG-CD2 4Å; H97-W305 AromaticContact CG-CE2 3.86Å; H97-W305 AromaticContact CG-CH2 3.99Å; H97-W305 AromaticContact CG-CZ2 3.9Å; H97-W305 AromaticContact ND1-CD2 3.8Å; H97-W305 AromaticContact ND1-CE3 3.88Å; H97-W305 AromaticContact NE2-CE3 3.94Å; H97-W305 AromaticContact NE2-CZ3 3.65Å; T303-W305 VanDerWaalsContact C-N 3.28Å; T303-W305 HydrophobicContact CG2-CB 4.31Å; T303-W305 WeakPolarHBondContact OG1-CB 3.25Å; T303-W305 PolarHBondContact OG1-N 2.85Å; W305-T307 PolarHBondContact O-N 2.78Å; W305-T308 HydrophobicContact CH2-CG2 4.26Å; W305-T308 VanDerWaalsContact CH2-N 3.29Å; W305-T308 HydrophobicContact CZ2-CG2 3.66Å
306E97.9Very high97.2Very high57 Ų5732.8 Ų32.827%0.26619%0.193SC..PPolyproline II helixtrans-71.3116.7175.7-170.1-167.2179.100109.9R51 Y62 P304 T308 D314 A316R51-E306 PolarHBondContact NH2-O 2.93Å; R51-E306 VanDerWaalsContact NH2-O 3.07Å; Y62-E306 VanDerWaalsContact O-CB 3.32Å; Y62-E306 WeakPolarHBondContact O-CB 3.48Å; Y62-E306 PolarHBondContact O-N 2.57Å; P304-E306 PolarHBondContact O-N 3.34Å; E306-T308 PolarHBondContact O-N 2.71Å; E306-D314 WeakPolarHBondContact OE1-CA 3.26Å; E306-A316 HydrophobicContact CB-CB 3.9Å; E306-A316 HydrophobicContact CG-CB 4.18Å
307T96.7Very high97.2Very high33 Ų3332.9 Ų32.920%0.20219%0.194CC..PPolyproline II helixtrans-61135.9-174.1-173.30000114.1W305 L309 V312 G315W305-T307 PolarHBondContact O-N 2.78Å; T307-L309 HydrophobicContact CG2-CB 4.29Å; T307-L309 PolarHBondContact O-N 3.32Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.44Å; T307-L309 VanDerWaalsContact OG1-N 3.16Å; T307-V312 HydrophobicContact CG2-CB 3.86Å; T307-V312 HydrophobicContact CG2-CG1 3.65Å; T307-V312 HydrophobicContact CG2-CG2 4.32Å; T307-G315 PolarHBondContact N-O 3.37Å; T307-G315 VanDerWaalsContact N-O 3.12Å
308T96.3Very high97.2Very high83 Ų8332.6 Ų32.651%0.50919%0.193SC..  trans-84.54.9171.455.40000113.4R51 W305 E306 P310R51-T308 VanDerWaalsContact CZ-CG2 3.42Å; R51-T308 VanDerWaalsContact NH2-CG2 3.3Å; W305-T308 HydrophobicContact CH2-CG2 4.26Å; W305-T308 VanDerWaalsContact CH2-N 3.29Å; W305-T308 HydrophobicContact CZ2-CG2 3.66Å; E306-T308 PolarHBondContact O-N 2.71Å; T308-P310 VanDerWaalsContact O-CD 3.24Å; T308-P310 WeakPolarHBondContact O-CD 3.48Å; T308-P310 VanDerWaalsContact O-N 3.14Å
309L96.3Very high97.2Very high33 Ų3332.6 Ų32.617%0.17319%0.193CC..  trans-59.3117.6-179.2-175.966.3000110F241 K244 T247 W249 T307 G311 V312F241-L309 HydrophobicContact CD1-CD2 3.75Å; F241-L309 HydrophobicContact CE1-CD2 3.76Å; K244-L309 HydrophobicContact CB-CD2 4.46Å; K244-L309 HydrophobicContact CD-CD2 3.77Å; K244-L309 HydrophobicContact CD-CG 4.03Å; T247-L309 HydrophobicContact CG2-CD2 4.35Å; W249-L309 HydrophobicContact CH2-CD2 4.1Å; T307-L309 HydrophobicContact CG2-CB 4.29Å; T307-L309 PolarHBondContact O-N 3.32Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.44Å; T307-L309 VanDerWaalsContact OG1-N 3.16Å; L309-G311 PolarHBondContact O-N 3.24Å; L309-V312 HydrophobicContact CB-CG2 4.15Å; L309-V312 HydrophobicContact CD2-CG2 3.91Å; L309-V312 HydrophobicContact CG-CG2 4.24Å; L309-V312 PolarHBondContact O-N 3.41Å; L309-V312 VanDerWaalsContact O-N 3.11Å
310P95.6Very high97.2Very high99 Ų9932.6 Ų32.664%0.64319%0.192SC*.THydrogen-bonded Turntrans-58.6129.9-174.9-27.235.7000111.9K244 T308K244-P310 WeakPolarHBondContact CE-O 3.44Å; K244-P310 PolarHBondContact NZ-O 3.1Å; T308-P310 VanDerWaalsContact O-CD 3.24Å; T308-P310 WeakPolarHBondContact O-CD 3.48Å; T308-P310 VanDerWaalsContact O-N 3.14Å
311G93.9Very high97.2Very high70 Ų7032.5 Ų32.572%0.72219%0.192SC*.THydrogen-bonded Turntrans97.4-15.4-179.700000114.5L309L309-G311 PolarHBondContact O-N 3.24Å
312V95.3Very high97.2Very high20 Ų2032.6 Ų32.612%0.12119%0.192CC..  trans-84.5129.6165.7-173.20000107.9F241 K243 K244 T307 L309F241-V312 HydrophobicContact CE1-CG2 4.25Å; K243-V312 HydrophobicContact CB-CG1 4.37Å; K244-V312 HydrophobicContact CB-CG2 3.97Å; K244-V312 HydrophobicContact CD-CG2 4.25Å; T307-V312 HydrophobicContact CG2-CB 3.86Å; T307-V312 HydrophobicContact CG2-CG1 3.65Å; T307-V312 HydrophobicContact CG2-CG2 4.32Å; L309-V312 HydrophobicContact CB-CG2 4.15Å; L309-V312 HydrophobicContact CD2-CG2 3.91Å; L309-V312 HydrophobicContact CG-CG2 4.24Å; L309-V312 PolarHBondContact O-N 3.41Å; L309-V312 VanDerWaalsContact O-N 3.11Å
313K92.1Very high97.2Very high185 Ų18532.9 Ų32.980%0.80419%0.194SC*.  trans-111.7140.1174.9-64.8179.6-178.4174.80108.1G315K313-G315 PolarHBondContact O-N 3.07Å
314D93.4Very high97.2Very high69 Ų6932.9 Ų32.937%0.36919%0.194SC..SBendtrans52.540.6176.7-155.421.9000112.4E306 A316 Y398E306-D314 WeakPolarHBondContact OE1-CA 3.26Å; D314-A316 PolarHBondContact O-N 3.27Å; D314-Y398 VanDerWaalsContact OD1-CE1 3.3Å; D314-Y398 WeakPolarHBondContact OD1-CE1 3.32Å; D314-Y398 VanDerWaalsContact OD1-CZ 3.31Å; D314-Y398 PolarHBondContact OD1-OH 2.72Å
315G97.1Very high97.2Very high12 Ų1234.8 Ų34.812%0.12420%0.203CC..  trans-84.139.2-170.400000113.5T307 K313T307-G315 PolarHBondContact N-O 3.37Å; T307-G315 VanDerWaalsContact N-O 3.12Å; K313-G315 PolarHBondContact O-N 3.07Å
316A98.4Very high97.2Very high1 Ų134.1 Ų34.11%0.00820%0.2CC..  trans-91.2171.8173.500000110.8Y62 E306 D314 Y398Y62-A316 HydrophobicContact CD1-CB 3.86Å; Y62-A316 HydrophobicContact CG-CB 4.21Å; E306-A316 HydrophobicContact CB-CB 3.9Å; E306-A316 HydrophobicContact CG-CB 4.18Å; D314-A316 PolarHBondContact O-N 3.27Å; A316-Y398 HydrophobicContact CB-CD1 4.07Å; A316-Y398 HydrophobicContact CB-CE1 3.72Å; A316-Y398 HydrophobicContact CB-CE2 4.29Å; A316-Y398 WeakPolarHBondContact O-CD1 3.49Å
317N98.9Very high97.1Very high2 Ų232.5 Ų32.51%0.01119%0.194CC..  trans-141.2158171.155.7-83.5000109.4H278 G301 T303 P304 S395 V396H278-N317 WeakPolarHBondContact CB-OD1 3.48Å; G301-N317 PolarHBondContact O-ND2 2.95Å; T303-N317 PolarHBondContact O-ND2 2.89Å; P304-N317 VanDerWaalsContact CA-O 3.22Å; P304-N317 WeakPolarHBondContact CA-O 3.35Å; P304-N317 WeakPolarHBondContact CB-O 3.49Å; N317-S395 WeakPolarHBondContact CA-O 3.3Å; N317-S395 WeakPolarHBondContact CB-O 3.4Å; N317-V396 HydrophobicContact CB-CG2 4.15Å
318N98.9Very high97Very high2 Ų231.8 Ų31.81%0.01119%0.189CC..  trans-70.6153.7160.7-76.4-65.8000109.9Y62 G320 Y340 L341 L343 S395 V396 S397Y62-N318 PolarHBondContact OH-OD1 2.72Å; N318-G320 PolarHBondContact O-N 3.14Å; N318-Y340 HydrophobicContact CB-CD2 3.77Å; N318-L341 WeakPolarHBondContact CB-O 3.35Å; N318-L341 PolarHBondContact OD1-O 3.08Å; N318-L343 PolarHBondContact OD1-N 3.09Å; N318-S395 PolarHBondContact N-O 3.37Å; N318-V396 HydrophobicContact CB-CB 4.04Å; N318-V396 HydrophobicContact CB-CG1 4.05Å; N318-V396 VanDerWaalsContact CB-O 3.3Å; N318-V396 WeakPolarHBondContact CB-O 3.12Å; N318-V396 PolarHBondContact ND2-O 3.19Å; N318-V396 WeakPolarHBondContact O-CB 3.41Å; N318-S397 PolarHBondContact ND2-O 3.16Å
319P98.9Very high96.8Very high0 Ų032.4 Ų32.40%019%0.186CC..  trans-56.9125169.9-27.237.2000111.7L70 V302 P304 Y340 L341 W353L70-P319 HydrophobicContact CD1-CB 3.94Å; L70-P319 HydrophobicContact CD1-CG 3.8Å; L70-P319 HydrophobicContact CD2-CB 4.23Å; L70-P319 HydrophobicContact CD2-CG 3.64Å; L70-P319 HydrophobicContact CG-CG 4.31Å; V302-P319 WeakPolarHBondContact O-CA 3.49Å; V302-P319 WeakPolarHBondContact O-CB 3.45Å; V302-P319 WeakPolarHBondContact O-CG 3.35Å; P304-P319 HydrophobicContact CB-CG 4.31Å; P319-Y340 VanDerWaalsContact O-CA 3.23Å; P319-Y340 WeakPolarHBondContact O-CA 3.35Å; P319-Y340 WeakPolarHBondContact O-CB 3.41Å; P319-L341 HydrophobicContact CB-CB 4.25Å; P319-L341 WeakPolarHBondContact CD-O 3.34Å; P319-L341 PolarHBondContact O-N 3.24Å; P319-W353 HydrophobicContact CB-CH2 3.77Å; P319-W353 HydrophobicContact CB-CZ2 4.35Å; P319-W353 HydrophobicContact CB-CZ3 4.47Å; P319-W353 WeakPolarHBondContact O-CZ3 3.31Å
320G98.9Very high96.7Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-120.1146.8-179.400000113.6G301 N318 Y339G301-G320 PolarHBondContact O-N 3.39Å; N318-G320 PolarHBondContact O-N 3.14Å; G320-Y339 WeakPolarHBondContact CA-O 3.41Å
321I98.9Very high96.7Very high1 Ų129.3 Ų29.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-137.3146.8168.460.2-179.8000109.1W24 I26 A77 M78 I81 V302 Y339 W353W24-I321 HydrophobicContact CE3-CB 4.47Å; W24-I321 HydrophobicContact CH2-CD1 4.08Å; W24-I321 HydrophobicContact CH2-CG1 4.46Å; W24-I321 HydrophobicContact CZ3-CB 4.12Å; W24-I321 HydrophobicContact CZ3-CD1 3.9Å; W24-I321 HydrophobicContact CZ3-CG1 3.86Å; I26-I321 HydrophobicContact CG2-CB 4.32Å; I26-I321 HydrophobicContact CG2-CG2 3.99Å; A77-I321 HydrophobicContact CB-CD1 4.15Å; M78-I321 HydrophobicContact CG-CB 4.49Å; M78-I321 HydrophobicContact CG-CD1 3.78Å; M78-I321 HydrophobicContact CG-CG2 4.42Å; I81-I321 HydrophobicContact CD1-CD1 4.29Å; V302-I321 HydrophobicContact CG2-CG2 4.1Å; I321-Y339 PolarHBondContact N-O 2.94Å; I321-Y339 PolarHBondContact O-N 2.88Å; I321-Y339 VanDerWaalsContact O-O 3.1Å; I321-W353 HydrophobicContact CB-CZ3 4.24Å; I321-W353 HydrophobicContact CD1-CD2 4.28Å; I321-W353 HydrophobicContact CD1-CE3 3.71Å; I321-W353 HydrophobicContact CD1-CZ3 3.96Å; I321-W353 HydrophobicContact CG1-CE3 3.78Å; I321-W353 HydrophobicContact CG1-CZ3 3.7Å; I321-W353 HydrophobicContact CG2-CH2 4.03Å; I321-W353 HydrophobicContact CG2-CZ3 3.83Å
322R98.7Very high96.8Very high2 Ų228.6 Ų28.61%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-130.3134.2-170.5-178.9171.1-76172.8-2.8113.8W24 H25 D280 L298 S299 F324 V336 V337 T338W24-R322 CarbonylContact C-O 3.11Å; W24-R322 WeakPolarHBondContact CA-O 3.24Å; H25-R322 PolarHBondContact N-O 3.38Å; H25-R322 PolarHBondContact O-N 3.13Å; D280-R322 IonicContact OD1-CZ 2.74Å; D280-R322 IonicContact OD1-NH1 3.25Å; D280-R322 IonicContact OD1-NH2 3.45Å; D280-R322 PolarHBondContact OD1-NH2 2.86Å; D280-R322 IonicContact OD2-CZ 3.78Å; D280-R322 IonicContact OD2-NH2 3.71Å; D280-R322 PolarHBondContact OD2-NH2 2.8Å; L298-R322 PolarHBondContact O-NH1 3.12Å; S299-R322 WeakPolarHBondContact OG-CD 3.41Å; S299-R322 PolarHBondContact OG-NH1 2.82Å; R322-F324 HydrophobicContact CG-CD2 4.05Å; R322-F324 HydrophobicContact CG-CE2 3.66Å; R322-F324 HydrophobicContact CG-CZ 4.19Å; R322-V336 HydrophobicContact CG-CG1 3.6Å; R322-V337 WeakPolarHBondContact CA-O 3.13Å; R322-T338 PolarHBondContact NE-OG1 2.98Å; R322-T338 VanDerWaalsContact NE-OG1 3.16Å; R322-T338 PolarHBondContact NH2-OG1 3.38Å
323V98.8Very high96.9Very high7 Ų727.8 Ų27.84%0.04214%0.141CC..EExtended strand (participates in β ladder)trans-102.6134.2168.4-177.40000109.4R22 F23 W24 L82 V337 Y339R22-V323 HydrophobicContact CB-CG1 4.25Å; F23-V323 WeakPolarHBondContact O-CA 3.34Å; W24-V323 HydrophobicContact CD2-CG2 3.87Å; W24-V323 HydrophobicContact CE3-CG2 3.52Å; W24-V323 HydrophobicContact CH2-CG2 3.22Å; W24-V323 HydrophobicContact CZ2-CG2 3.6Å; W24-V323 HydrophobicContact CZ3-CB 4.42Å; W24-V323 HydrophobicContact CZ3-CG2 3.19Å; L82-V323 HydrophobicContact CD2-CG1 3.94Å; L82-V323 HydrophobicContact CD2-CG2 4.4Å; V323-V337 PolarHBondContact N-O 3.33Å; V323-V337 PolarHBondContact O-N 3.29Å; V323-Y339 HydrophobicContact CB-CE2 4.49Å; V323-Y339 HydrophobicContact CG2-CD2 4.38Å; V323-Y339 HydrophobicContact CG2-CE2 3.87Å
324F98.8Very high97.2Very high0 Ų021.2 Ų21.20%011%0.113CC..EExtended strand (participates in β ladder)trans-105135166.8-74-91.5000109.8R22 F23 H25 F273 F297 R322 V333 V336R22-F324 VanDerWaalsContact CA-O 3.26Å; R22-F324 WeakPolarHBondContact CA-O 3.43Å; F23-F324 HydrophobicContact CD1-CB 3.83Å; F23-F324 HydrophobicContact CD2-CB 4.01Å; F23-F324 HydrophobicContact CD2-CD2 4.17Å; F23-F324 HydrophobicContact CD2-CG 4.42Å; F23-F324 HydrophobicContact CE1-CB 3.35Å; F23-F324 HydrophobicContact CE1-CG 4.17Å; F23-F324 HydrophobicContact CE2-CB 3.55Å; F23-F324 AromaticContact CE2-CD2 3.49Å; F23-F324 HydrophobicContact CE2-CD2 3.49Å; F23-F324 VanDerWaalsContact CE2-CD2 3.49Å; F23-F324 HydrophobicContact CE2-CE2 4.37Å; F23-F324 AromaticContact CE2-CG 3.64Å; F23-F324 HydrophobicContact CE2-CG 3.64Å; F23-F324 HydrophobicContact CG-CB 4.14Å; F23-F324 HydrophobicContact CZ-CB 3.2Å; F23-F324 HydrophobicContact CZ-CD1 4.19Å; F23-F324 AromaticContact CZ-CD2 3.88Å; F23-F324 HydrophobicContact CZ-CD2 3.88Å; F23-F324 AromaticContact CZ-CG 3.5Å; F23-F324 HydrophobicContact CZ-CG 3.5Å; F23-F324 VanDerWaalsContact CZ-CG 3.5Å; F23-F324 PolarHBondContact N-O 3.27Å; F23-F324 PolarHBondContact O-N 2.86Å; H25-F324 HydrophobicContact CB-CD2 3.92Å; H25-F324 HydrophobicContact CB-CE2 3.59Å; H25-F324 AromaticContact ND1-CE2 3.84Å; F273-F324 HydrophobicContact CD1-CD1 4.35Å; F273-F324 HydrophobicContact CD1-CD2 4.43Å; F273-F324 AromaticContact CD1-CE1 3.85Å; F273-F324 HydrophobicContact CD1-CE1 3.85Å; F273-F324 AromaticContact CD1-CE2 3.92Å; F273-F324 HydrophobicContact CD1-CE2 3.92Å; F273-F324 AromaticContact CD1-CZ 3.6Å; F273-F324 HydrophobicContact CD1-CZ 3.6Å; F273-F324 AromaticContact CE1-CD1 3.76Å; F273-F324 HydrophobicContact CE1-CD1 3.76Å; F273-F324 HydrophobicContact CE1-CD2 4.42Å; F273-F324 AromaticContact CE1-CE1 3.57Å; F273-F324 HydrophobicContact CE1-CE1 3.57Å; F273-F324 HydrophobicContact CE1-CE2 4.25Å; F273-F324 HydrophobicContact CE1-CG 4.18Å; F273-F324 AromaticContact CE1-CZ 3.84Å; F273-F324 HydrophobicContact CE1-CZ 3.84Å; F297-F324 HydrophobicContact CB-CE1 4.03Å; F297-F324 HydrophobicContact CB-CZ 3.73Å; F297-F324 HydrophobicContact CD1-CE1 4.11Å; F297-F324 AromaticContact CD2-CE1 3.78Å; F297-F324 HydrophobicContact CD2-CE1 3.78Å; F297-F324 HydrophobicContact CD2-CZ 4.3Å; F297-F324 HydrophobicContact CE2-CE1 4.27Å; F297-F324 AromaticContact CG-CE1 3.69Å; F297-F324 HydrophobicContact CG-CE1 3.69Å; F297-F324 AromaticContact CG-CZ 3.94Å; F297-F324 HydrophobicContact CG-CZ 3.94Å; R322-F324 HydrophobicContact CG-CD2 4.05Å; R322-F324 HydrophobicContact CG-CE2 3.66Å; R322-F324 HydrophobicContact CG-CZ 4.19Å; F324-V333 HydrophobicContact CD1-CG1 3.67Å; F324-V333 HydrophobicContact CE1-CG1 4.35Å; F324-V336 HydrophobicContact CD1-CB 4.42Å; F324-V336 HydrophobicContact CD1-CG1 4.27Å; F324-V336 HydrophobicContact CD1-CG2 3.63Å; F324-V336 HydrophobicContact CE1-CB 4.29Å; F324-V336 HydrophobicContact CE1-CG1 3.89Å; F324-V336 HydrophobicContact CE1-CG2 3.45Å; F324-V336 VanDerWaalsContact CE1-CG2 3.45Å; F324-V336 HydrophobicContact CZ-CG1 4.08Å; F324-V336 HydrophobicContact CZ-CG2 4.4Å
325E98.7Very high97.5Very high40 Ų4018.3 Ų18.319%0.18710%0.097CC..EExtended strand (participates in β ladder)trans-104.2132.4169.8-53.7-173.5168.100108G21 R22 K334 D335 R358G21-E325 WeakPolarHBondContact O-CA 3.39Å; R22-E325 HydrophobicContact CG-CG 4.08Å; E325-K334 WeakPolarHBondContact O-CA 3.29Å; E325-K334 PolarHBondContact O-N 3.22Å; E325-D335 HydrophobicContact CB-CB 4.19Å; E325-D335 HydrophobicContact CG-CB 4.41Å; E325-D335 PolarHBondContact N-O 3.38Å; E325-D335 PolarHBondContact O-N 2.87Å; E325-D335 VanDerWaalsContact O-N 3.12Å; E325-R358 IonicContact OE1-CZ 3.37Å; E325-R358 IonicContact OE1-NH1 3.97Å; E325-R358 PolarHBondContact OE1-NH1 2.73Å; E325-R358 IonicContact OE1-NH2 3.69Å; E325-R358 PolarHBondContact OE1-NH2 2.87Å; E325-R358 IonicContact OE2-CZ 3.79Å; E325-R358 IonicContact OE2-NH1 2.91Å; E325-R358 PolarHBondContact OE2-NH1 3.4Å; E325-R358 IonicContact OE2-NH2 2.81Å
326Y97.9Very high97.5Very high1 Ų117.8 Ų17.80%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-141.6157.9-173.777.5-77.6000112.7S20 G21 F23 D86 F87 L181 Y231 T328 L331 L332S20-Y326 CarbonylContact C-O 3.54Å; S20-Y326 WeakPolarHBondContact CA-O 3.26Å; G21-Y326 VanDerWaalsContact CA-CE1 3.45Å; G21-Y326 PolarHBondContact N-O 2.87Å; G21-Y326 VanDerWaalsContact O-CD1 3.29Å; G21-Y326 WeakPolarHBondContact O-CD1 3.43Å; G21-Y326 PolarHBondContact O-N 3.37Å; F23-Y326 AromaticContact CD1-CD1 3.6Å; F23-Y326 HydrophobicContact CD1-CD1 3.6Å; F23-Y326 AromaticContact CD1-CE1 3.89Å; F23-Y326 HydrophobicContact CD1-CE1 3.89Å; F23-Y326 HydrophobicContact CD1-CG 4.41Å; F23-Y326 AromaticContact CE1-CD1 3.9Å; F23-Y326 HydrophobicContact CE1-CD1 3.9Å; F23-Y326 HydrophobicContact CE1-CG 4.28Å; D86-Y326 WeakPolarHBondContact OD2-CE1 3.3Å; D86-Y326 PolarHBondContact OD2-OH 2.98Å; F87-Y326 AromaticContact CE1-CE1 4Å; F87-Y326 HydrophobicContact CE1-CE1 4Å; F87-Y326 AromaticContact CE1-CZ 3.97Å; L181-Y326 VanDerWaalsContact CD1-OH 3.24Å; L181-Y326 WeakPolarHBondContact CD1-OH 3.26Å; Y231-Y326 WeakPolarHBondContact OH-CB 3.23Å; Y326-T328 HydrophobicContact CE2-CG2 4.22Å; Y326-T328 PolarHBondContact O-N 3.43Å; Y326-L331 HydrophobicContact CD2-CD2 4Å; Y326-L331 HydrophobicContact CE2-CD2 3.74Å; Y326-L332 CarbonylContact C-O 3.59Å; Y326-L332 VanDerWaalsContact CA-O 3.27Å; Y326-L332 WeakPolarHBondContact CA-O 3.26Å
327D96.4Very high97.6Very high23 Ų2317.8 Ų17.812%0.1239%0.091CC..EExtended strand (participates in β ladder)trans-75.9117.7171.4-165.9-95.1000110.9E329 T330 L331 L332 K334D327-E329 PolarHBondContact O-N 3.47Å; D327-E329 VanDerWaalsContact O-N 3.11Å; D327-E329 PolarHBondContact OD1-N 2.76Å; D327-E329 VanDerWaalsContact OD1-N 3.13Å; D327-T330 WeakPolarHBondContact CB-OG1 3.34Å; D327-T330 VanDerWaalsContact CG-OG1 3.27Å; D327-T330 PolarHBondContact O-N 2.91Å; D327-T330 PolarHBondContact OD1-N 2.86Å; D327-T330 PolarHBondContact OD1-OG1 2.99Å; D327-L331 VanDerWaalsContact O-CA 3.26Å; D327-L331 WeakPolarHBondContact O-CA 3.36Å; D327-L331 PolarHBondContact O-N 3.08Å; D327-L332 HydrophobicContact CB-CB 4.33Å; D327-L332 PolarHBondContact N-O 3.26Å; D327-K334 VanDerWaalsContact CB-CE 3.46Å; D327-K334 WeakPolarHBondContact OD2-CE 3.22Å; D327-K334 IonicContact OD2-NZ 3.7Å; D327-K334 PolarHBondContact OD2-NZ 3.11Å
328T94.3Very high97.6Very high17 Ų1717.7 Ų17.710%0.1049%0.091CC..THydrogen-bonded Turntrans-68.8-13.2-17561.60000114L19 G21 R183 Y326L19-T328 VanDerWaalsContact CB-OG1 3.24Å; L19-T328 WeakPolarHBondContact CB-OG1 3.28Å; L19-T328 PolarHBondContact O-N 2.84Å; L19-T328 PolarHBondContact O-OG1 2.78Å; G21-T328 VanDerWaalsContact N-CG2 3.33Å; R183-T328 PolarHBondContact NH1-O 2.77Å; Y326-T328 HydrophobicContact CE2-CG2 4.22Å; Y326-T328 PolarHBondContact O-N 3.43Å
329E92.3Very high97.6Very high96 Ų9619.7 Ų19.745%0.44910%0.099SC..THydrogen-bonded Turntrans-99.8-32.9-179.3-63.7-54.511800112.5R183 Y186 D327R183-E329 IonicContact CZ-OE1 3.39Å; R183-E329 IonicContact NH1-OE1 3.71Å; R183-E329 IonicContact NH2-OE1 3.16Å; R183-E329 PolarHBondContact NH2-OE1 2.88Å; R183-E329 IonicContact NH2-OE2 3.89Å; Y186-E329 VanDerWaalsContact CE1-O 3.27Å; Y186-E329 WeakPolarHBondContact CE1-O 3.38Å; Y186-E329 WeakPolarHBondContact OH-CA 3.27Å; Y186-E329 PolarHBondContact OH-O 2.8Å; D327-E329 PolarHBondContact O-N 3.47Å; D327-E329 VanDerWaalsContact O-N 3.11Å; D327-E329 PolarHBondContact OD1-N 2.76Å; D327-E329 VanDerWaalsContact OD1-N 3.13Å
330T94.3Very high97.6Very high66 Ų6621.2 Ų21.241%0.40511%0.105SC..THydrogen-bonded Turntrans-107.7-11.9-177.162.40000114.3D327 L332D327-T330 WeakPolarHBondContact CB-OG1 3.34Å; D327-T330 VanDerWaalsContact CG-OG1 3.27Å; D327-T330 PolarHBondContact O-N 2.91Å; D327-T330 PolarHBondContact OD1-N 2.86Å; D327-T330 PolarHBondContact OD1-OG1 2.99Å; T330-L332 PolarHBondContact O-N 2.78Å; T330-L332 WeakPolarHBondContact OG1-CB 3.13Å; T330-L332 PolarHBondContact OG1-N 3.46Å
331L95.8Very high97.6Very high2 Ų221.2 Ų21.21%0.0111%0.105CC..  trans60.88.3-166.3-56.6-168.4000115L180 Y186 K229 Y231 I270 Y326 D327 V333L180-L331 HydrophobicContact CD2-CD1 3.78Å; L180-L331 HydrophobicContact CD2-CD2 3.71Å; L180-L331 HydrophobicContact CD2-CG 4.42Å; Y186-L331 HydrophobicContact CD1-CD1 3.7Å; Y186-L331 HydrophobicContact CD1-CD2 3.56Å; Y186-L331 HydrophobicContact CD1-CG 3.44Å; Y186-L331 VanDerWaalsContact CD1-CG 3.44Å; Y186-L331 HydrophobicContact CE1-CD2 3.99Å; Y186-L331 HydrophobicContact CE1-CG 3.91Å; Y186-L331 HydrophobicContact CG-CD1 4.45Å; Y186-L331 HydrophobicContact CG-CD2 4.29Å; Y186-L331 HydrophobicContact CG-CG 4.46Å; K229-L331 HydrophobicContact CB-CB 4.36Å; K229-L331 HydrophobicContact CB-CD1 3.68Å; K229-L331 HydrophobicContact CB-CG 3.92Å; Y231-L331 HydrophobicContact CE1-CB 3.85Å; Y231-L331 HydrophobicContact CE1-CD1 4.47Å; Y231-L331 VanDerWaalsContact CE1-O 3.26Å; Y231-L331 WeakPolarHBondContact CE1-O 3.46Å; Y231-L331 HydrophobicContact CE2-CB 4.49Å; Y231-L331 HydrophobicContact CE2-CD1 4.45Å; Y231-L331 VanDerWaalsContact CZ-O 3.28Å; Y231-L331 PolarHBondContact OH-O 3.18Å; I270-L331 HydrophobicContact CB-CB 4.11Å; I270-L331 HydrophobicContact CG1-CB 4.35Å; I270-L331 HydrophobicContact CG2-CB 4Å; I270-L331 WeakPolarHBondContact CG2-O 3.26Å; Y326-L331 HydrophobicContact CD2-CD2 4Å; Y326-L331 HydrophobicContact CE2-CD2 3.74Å; D327-L331 VanDerWaalsContact O-CA 3.26Å; D327-L331 WeakPolarHBondContact O-CA 3.36Å; D327-L331 PolarHBondContact O-N 3.08Å; L331-V333 PolarHBondContact O-N 3.1Å
332L96.7Very high97.5Very high55 Ų5523.5 Ų23.529%0.28812%0.117SC..  trans-62.4126.4178.6-178.364.9000109.6Y326 D327 T330 K334Y326-L332 CarbonylContact C-O 3.59Å; Y326-L332 VanDerWaalsContact CA-O 3.27Å; Y326-L332 WeakPolarHBondContact CA-O 3.26Å; D327-L332 HydrophobicContact CB-CB 4.33Å; D327-L332 PolarHBondContact N-O 3.26Å; T330-L332 PolarHBondContact O-N 2.78Å; T330-L332 WeakPolarHBondContact OG1-CB 3.13Å; T330-L332 PolarHBondContact OG1-N 3.46Å; L332-K334 PolarHBondContact O-N 2.82Å
333V97.4Very high97.5Very high2 Ų223.5 Ų23.51%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-68.5115.2172-173.80000108.3Y231 F273 F297 F324 L331 V336 A368Y231-V333 HydrophobicContact CE1-CG2 4.47Å; F273-V333 HydrophobicContact CE1-CG2 4.22Å; F273-V333 HydrophobicContact CZ-CG2 3.96Å; F297-V333 HydrophobicContact CE2-CG2 4.35Å; F324-V333 HydrophobicContact CD1-CG1 3.67Å; F324-V333 HydrophobicContact CE1-CG1 4.35Å; L331-V333 PolarHBondContact O-N 3.1Å; V333-V336 HydrophobicContact CG1-CG2 4.19Å; V333-A368 HydrophobicContact CB-CB 4.13Å; V333-A368 HydrophobicContact CG1-CB 3.72Å; V333-A368 CarbonylContact O-C 3.42Å; V333-A368 PolarHBondContact O-N 2.68Å
334K97.9Very high97.5Very high47 Ų4727.3 Ų27.320%0.20414%0.14CC..EExtended strand (participates in β ladder)trans-83.8-40.6178.7-68.7-176.2179165.20111E325 D327 L332 D367 A368E325-K334 WeakPolarHBondContact O-CA 3.29Å; E325-K334 PolarHBondContact O-N 3.22Å; D327-K334 VanDerWaalsContact CB-CE 3.46Å; D327-K334 WeakPolarHBondContact OD2-CE 3.22Å; D327-K334 IonicContact OD2-NZ 3.7Å; D327-K334 PolarHBondContact OD2-NZ 3.11Å; L332-K334 PolarHBondContact O-N 2.82Å; K334-D367 CarbonylContact O-C 3.57Å; K334-D367 WeakPolarHBondContact O-CA 3.09Å; K334-A368 PolarHBondContact O-N 3.15Å
335D98.5Very high97.4Very high8 Ų831.3 Ų31.34%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-158.1166.1-178.7-144.7-25.3000112.4E325 R358 L359 T360E325-D335 HydrophobicContact CB-CB 4.19Å; E325-D335 HydrophobicContact CG-CB 4.41Å; E325-D335 PolarHBondContact N-O 3.38Å; E325-D335 PolarHBondContact O-N 2.87Å; E325-D335 VanDerWaalsContact O-N 3.12Å; D335-R358 VanDerWaalsContact CG-CG 3.49Å; D335-R358 VanDerWaalsContact CG-NH1 3.31Å; D335-R358 WeakPolarHBondContact OD1-CG 3.29Å; D335-R358 WeakPolarHBondContact OD2-CD 3.43Å; D335-R358 WeakPolarHBondContact OD2-CG 3.15Å; D335-R358 IonicContact OD2-CZ 3.45Å; D335-R358 IonicContact OD2-NE 2.76Å; D335-R358 IonicContact OD2-NH1 2.68Å; D335-R358 PolarHBondContact OD2-NH1 3.21Å; D335-L359 PolarHBondContact OD1-N 3.13Å; D335-T360 HydrophobicContact CB-CG2 4.29Å; D335-T360 VanDerWaalsContact CG-CG2 3.43Å; D335-T360 WeakPolarHBondContact OD1-CG2 2.95Å; D335-T360 PolarHBondContact OD1-N 3.12Å; D335-T360 WeakPolarHBondContact OD2-CG2 3.5Å; D335-T360 PolarHBondContact OD2-OG1 3.27Å
336V98.6Very high97.4Very high1 Ų129.6 Ų29.61%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-133.8126.8178.1-171.30000108.3F297 R322 F324 V333 R358 L359 A368F297-V336 HydrophobicContact CD1-CG2 4.23Å; F297-V336 HydrophobicContact CE1-CG2 3.94Å; F297-V336 HydrophobicContact CZ-CG2 4.41Å; R322-V336 HydrophobicContact CG-CG1 3.6Å; F324-V336 HydrophobicContact CD1-CB 4.42Å; F324-V336 HydrophobicContact CD1-CG1 4.27Å; F324-V336 HydrophobicContact CD1-CG2 3.63Å; F324-V336 HydrophobicContact CE1-CB 4.29Å; F324-V336 HydrophobicContact CE1-CG1 3.89Å; F324-V336 HydrophobicContact CE1-CG2 3.45Å; F324-V336 VanDerWaalsContact CE1-CG2 3.45Å; F324-V336 HydrophobicContact CZ-CG1 4.08Å; F324-V336 HydrophobicContact CZ-CG2 4.4Å; V333-V336 HydrophobicContact CG1-CG2 4.19Å; V336-R358 WeakPolarHBondContact O-CA 3.35Å; V336-L359 HydrophobicContact CB-CB 4.01Å; V336-L359 HydrophobicContact CB-CD1 4.13Å; V336-L359 HydrophobicContact CG2-CD1 4Å; V336-L359 PolarHBondContact O-N 3.23Å; V336-A368 HydrophobicContact CG2-CB 4.14Å
337V98.9Very high97.4Very high1 Ų131.7 Ų31.71%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-121.8114.8177.1-170.70000108.9R322 V323 Y339 K355 Y357 R358R322-V337 WeakPolarHBondContact CA-O 3.13Å; V323-V337 PolarHBondContact N-O 3.33Å; V323-V337 PolarHBondContact O-N 3.29Å; V337-Y339 HydrophobicContact CB-CE2 4.03Å; V337-Y339 HydrophobicContact CG1-CD2 4.16Å; V337-Y339 HydrophobicContact CG1-CE2 3.47Å; V337-Y339 VanDerWaalsContact CG1-CE2 3.47Å; V337-K355 HydrophobicContact CG1-CD 3.93Å; V337-K355 HydrophobicContact CG1-CG 3.82Å; V337-Y357 WeakPolarHBondContact CA-O 3.49Å; V337-R358 HydrophobicContact CG2-CB 4.26Å; V337-R358 HydrophobicContact CG2-CG 4.16Å
338T98.9Very high97.4Very high0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-93132173.8-51.80000108.8P300 R322 E356 Y357P300-T338 HydrophobicContact CG-CG2 4.17Å; R322-T338 PolarHBondContact NE-OG1 2.98Å; R322-T338 VanDerWaalsContact NE-OG1 3.16Å; R322-T338 PolarHBondContact NH2-OG1 3.38Å; T338-E356 WeakPolarHBondContact CG2-OE2 3.27Å; T338-E356 WeakPolarHBondContact O-CB 3.33Å; T338-E356 PolarHBondContact O-N 2.85Å; T338-Y357 PolarHBondContact N-O 3.01Å; T338-Y357 VanDerWaalsContact N-O 3.08Å; T338-Y357 PolarHBondContact O-N 3.16Å; T338-Y357 WeakPolarHBondContact OG1-CE1 3.41Å
339Y98.9Very high97.4Very high45 Ų4540 Ų4018%0.17622%0.219CC..EExtended strand (participates in β ladder)trans-113.1149169.2-61.4-98.8000108.3W24 I81 G320 I321 V323 V337 E354 K355W24-Y339 HydrophobicContact CH2-CD2 4.23Å; W24-Y339 HydrophobicContact CH2-CE2 4.4Å; W24-Y339 HydrophobicContact CZ3-CD2 4.29Å; I81-Y339 HydrophobicContact CD1-CD1 3.74Å; I81-Y339 HydrophobicContact CD1-CD2 4.45Å; I81-Y339 HydrophobicContact CD1-CE1 4.13Å; I81-Y339 HydrophobicContact CD1-CG 3.93Å; I81-Y339 HydrophobicContact CG1-CE1 4.49Å; I81-Y339 HydrophobicContact CG2-CD2 4.47Å; I81-Y339 HydrophobicContact CG2-CE1 3.91Å; I81-Y339 HydrophobicContact CG2-CE2 3.86Å; G320-Y339 WeakPolarHBondContact CA-O 3.41Å; I321-Y339 PolarHBondContact N-O 2.94Å; I321-Y339 PolarHBondContact O-N 2.88Å; I321-Y339 VanDerWaalsContact O-O 3.1Å; V323-Y339 HydrophobicContact CB-CE2 4.49Å; V323-Y339 HydrophobicContact CG2-CD2 4.38Å; V323-Y339 HydrophobicContact CG2-CE2 3.87Å; V337-Y339 HydrophobicContact CB-CE2 4.03Å; V337-Y339 HydrophobicContact CG1-CD2 4.16Å; V337-Y339 HydrophobicContact CG1-CE2 3.47Å; V337-Y339 VanDerWaalsContact CG1-CE2 3.47Å; Y339-E354 CarbonylContact C-O 3.53Å; Y339-E354 WeakPolarHBondContact CA-O 3.37Å; Y339-E354 WeakPolarHBondContact CB-O 3.17Å; Y339-K355 HydrophobicContact CD1-CB 4.06Å; Y339-K355 HydrophobicContact CE1-CB 3.86Å; Y339-K355 HydrophobicContact CE1-CG 4.45Å
340Y98.9Very high97.4Very high31 Ų3137.5 Ų37.512%0.12222%0.215CC..EExtended strand (participates in β ladder)trans-142.1163.2-178.285.2-59.3000112.1N318 P319 N342 W353 E354 E356 V396N318-Y340 HydrophobicContact CB-CD2 3.77Å; P319-Y340 VanDerWaalsContact O-CA 3.23Å; P319-Y340 WeakPolarHBondContact O-CA 3.35Å; P319-Y340 WeakPolarHBondContact O-CB 3.41Å; Y340-N342 HydrophobicContact CE2-CB 3.96Å; Y340-W353 WeakPolarHBondContact O-CA 3.3Å; Y340-E354 HydrophobicContact CD1-CG 3.85Å; Y340-E354 HydrophobicContact CE1-CG 3.42Å; Y340-E354 VanDerWaalsContact CE1-CG 3.42Å; Y340-E354 PolarHBondContact N-O 3.47Å; Y340-E354 PolarHBondContact O-N 3.28Å; Y340-E356 HydrophobicContact CD1-CB 3.68Å; Y340-E356 HydrophobicContact CD1-CG 4.24Å; Y340-E356 HydrophobicContact CE1-CB 4.23Å; Y340-E356 HydrophobicContact CE1-CG 4.5Å; Y340-E356 HydrophobicContact CG-CB 4.29Å; Y340-V396 HydrophobicContact CD2-CG1 4.07Å; Y340-V396 HydrophobicContact CG-CG1 3.99Å
341L98.9Very high97.4Very high1 Ų137.8 Ų37.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-110.5114.7168.6-177.770.2000108.1F59 L70 N318 P319 L343 A346 E351 R352 W353F59-L341 HydrophobicContact CB-CD2 4.4Å; L70-L341 HydrophobicContact CD1-CD2 3.58Å; N318-L341 WeakPolarHBondContact CB-O 3.35Å; N318-L341 PolarHBondContact OD1-O 3.08Å; P319-L341 HydrophobicContact CB-CB 4.25Å; P319-L341 WeakPolarHBondContact CD-O 3.34Å; P319-L341 PolarHBondContact O-N 3.24Å; L341-L343 PolarHBondContact O-N 2.9Å; L341-A346 HydrophobicContact CD1-CB 3.73Å; L341-A346 HydrophobicContact CD2-CB 3.99Å; L341-A346 HydrophobicContact CG-CB 3.84Å; L341-E351 HydrophobicContact CD1-CG 4.13Å; L341-R352 WeakPolarHBondContact CD1-O 3.44Å; L341-W353 HydrophobicContact CB-CD2 3.99Å; L341-W353 HydrophobicContact CB-CE3 4.21Å; L341-W353 HydrophobicContact CB-CH2 4.23Å; L341-W353 HydrophobicContact CB-CZ2 3.99Å; L341-W353 HydrophobicContact CB-CZ3 4.32Å; L341-W353 HydrophobicContact CD2-CZ2 4.39Å
342N98.5Very high97.4Very high49 Ų4945.5 Ų45.526%0.26224%0.241SC..  trans-64.6100.4167.4-177.6-35.5000108.7Y340 T344 H345 A346Y340-N342 HydrophobicContact CE2-CB 3.96Å; N342-T344 VanDerWaalsContact C-N 3.29Å; N342-T344 PolarHBondContact O-N 3.27Å; N342-T344 PolarHBondContact OD1-N 3.03Å; N342-H345 HydrophobicContact CB-CB 3.99Å; N342-H345 PolarHBondContact O-N 2.86Å; N342-H345 PolarHBondContact OD1-N 3.19Å; N342-A346 WeakPolarHBondContact O-CB 3.45Å; N342-A346 PolarHBondContact O-N 3.33Å
343L98.6Very high97.5Very high1 Ų144.1 Ų44.11%0.00523%0.231CC..Hα-helixtrans-64.8-36.9-169.6178.763.9000111.6F59 Y62 P304 N318 L341 A346 N347F59-L343 HydrophobicContact CB-CD1 3.88Å; F59-L343 WeakPolarHBondContact O-CD1 3.22Å; Y62-L343 HydrophobicContact CD1-CD2 3.97Å; Y62-L343 HydrophobicContact CD2-CD2 4.49Å; Y62-L343 HydrophobicContact CE1-CB 4.09Å; Y62-L343 HydrophobicContact CE1-CD2 3.82Å; Y62-L343 HydrophobicContact CE2-CD2 4.37Å; Y62-L343 HydrophobicContact CG-CD2 4.31Å; P304-L343 HydrophobicContact CB-CD2 3.64Å; P304-L343 HydrophobicContact CG-CD2 3.7Å; N318-L343 PolarHBondContact OD1-N 3.09Å; L341-L343 PolarHBondContact O-N 2.9Å; L343-A346 PolarHBondContact O-N 3.44Å; L343-N347 WeakPolarHBondContact O-CB 3.47Å; L343-N347 PolarHBondContact O-N 2.98Å; L343-N347 PolarHBondContact O-ND2 3.32Å
344T97.6Very high97.5Very high87 Ų8747.3 Ų47.353%0.53425%0.246SC..Hα-helixtrans-60.7-48.3175.9-55.20000110.8Y62 N342 A348Y62-T344 PolarHBondContact OH-OG1 3.4Å; N342-T344 VanDerWaalsContact C-N 3.29Å; N342-T344 PolarHBondContact O-N 3.27Å; N342-T344 PolarHBondContact OD1-N 3.03Å; T344-A348 WeakPolarHBondContact O-CB 3.33Å; T344-A348 PolarHBondContact O-N 2.82Å
345H97.5Very high97.6Very high84 Ų8449.7 Ų49.739%0.38926%0.257SS..Hα-helixtrans-65.5-43.9177-176.9-83.4000111.9N342 N347 A348 D349 A350N342-H345 HydrophobicContact CB-CB 3.99Å; N342-H345 PolarHBondContact O-N 2.86Å; N342-H345 PolarHBondContact OD1-N 3.19Å; H345-N347 VanDerWaalsContact C-N 3.28Å; H345-N347 PolarHBondContact O-N 3.02Å; H345-A348 PolarHBondContact O-N 3.34Å; H345-A348 VanDerWaalsContact O-N 3.09Å; H345-D349 IonicContact CE1-OD2 3.57Å; H345-D349 IonicContact NE2-OD2 2.73Å; H345-D349 PolarHBondContact O-N 3.06Å; H345-A350 PolarHBondContact ND1-O 2.86Å
346A97.9Very high97.6Very high4 Ų450.5 Ų50.53%0.03326%0.26CS..Hα-helixtrans-60.8-36-178.700000113.1F59 L341 N342 L343 A350F59-A346 HydrophobicContact CD2-CB 3.97Å; F59-A346 WeakPolarHBondContact CD2-O 3.39Å; F59-A346 WeakPolarHBondContact CE2-O 3.48Å; F59-A346 HydrophobicContact CG-CB 4.43Å; L341-A346 HydrophobicContact CD1-CB 3.73Å; L341-A346 HydrophobicContact CD2-CB 3.99Å; L341-A346 HydrophobicContact CG-CB 3.84Å; N342-A346 WeakPolarHBondContact O-CB 3.45Å; N342-A346 PolarHBondContact O-N 3.33Å; L343-A346 PolarHBondContact O-N 3.44Å; A346-A350 WeakPolarHBondContact CA-O 3.4Å
347N98Very high97.6Very high45 Ų4551.1 Ų51.124%0.24126%0.262CS..Hα-helixtrans-77.7-24.3176.3-78.6-29.1000113.5G57 K58 F59 G60 L343 H345G57-N347 VanDerWaalsContact CA-OD1 3.29Å; G57-N347 WeakPolarHBondContact CA-OD1 3.31Å; K58-N347 PolarHBondContact N-OD1 2.67Å; F59-N347 PolarHBondContact N-OD1 3.48Å; G60-N347 PolarHBondContact O-ND2 2.95Å; L343-N347 WeakPolarHBondContact O-CB 3.47Å; L343-N347 PolarHBondContact O-N 2.98Å; L343-N347 PolarHBondContact O-ND2 3.32Å; H345-N347 VanDerWaalsContact C-N 3.28Å; H345-N347 PolarHBondContact O-N 3.02Å
348A96.9Very high97.6Very high88 Ų8853.3 Ų53.373%0.72727%0.27SS*.Hα-helixtrans-91-36.7-177.400000113.6T344 H345T344-A348 WeakPolarHBondContact O-CB 3.33Å; T344-A348 PolarHBondContact O-N 2.82Å; H345-A348 PolarHBondContact O-N 3.34Å; H345-A348 VanDerWaalsContact O-N 3.09Å
349D94.1Very high97.6Very high127 Ų12753.5 Ų53.568%0.67927%0.272SS*.SBendtrans-132.3-78.2-171.6-176.231.9000111.9H345H345-D349 IonicContact CE1-OD2 3.57Å; H345-D349 IonicContact NE2-OD2 2.73Å; H345-D349 PolarHBondContact O-N 3.06Å
350A92.9Very high97.6Very high44 Ų4452.6 Ų52.636%0.36427%0.271SS..  trans-145.3139.7-172.900000113.1H345 A346 R352H345-A350 PolarHBondContact ND1-O 2.86Å; A346-A350 WeakPolarHBondContact CA-O 3.4Å; A350-R352 PolarHBondContact O-N 3.34Å
351E94.2Very high97.6Very high71 Ų7156.4 Ų56.433%0.33229%0.29SS..  trans-61.9117167.1-176.4-148.1150.500110F59 S73 R80 L341F59-E351 HydrophobicContact CE1-CB 3.99Å; F59-E351 HydrophobicContact CE1-CG 3.92Å; F59-E351 HydrophobicContact CE2-CB 3.91Å; F59-E351 HydrophobicContact CZ-CB 3.5Å; F59-E351 HydrophobicContact CZ-CG 3.98Å; S73-E351 WeakPolarHBondContact OG-CG 3.27Å; S73-E351 PolarHBondContact OG-OE1 3.2Å; R80-E351 IonicContact NH2-OE1 3.75Å; R80-E351 PolarHBondContact NH2-OE1 3.33Å; L341-E351 HydrophobicContact CD1-CG 4.13Å
352R95.8Very high97.5Very high165 Ų16557.2 Ų57.262%0.62330%0.295SS*.  trans-146.5109.4173.7-175.4178.3176.8174.4-4.2110.2L341 A350L341-R352 WeakPolarHBondContact CD1-O 3.44Å; A350-R352 PolarHBondContact O-N 3.34Å
353W98.6Very high97.5Very high25 Ų2555.2 Ų55.210%0.09528%0.284CS..EExtended strand (participates in β ladder)trans-76.7129.8165.8-69.578000109.2L70 S73 S74 A77 P319 I321 Y340 L341L70-W353 HydrophobicContact CD1-CZ2 4.16Å; S73-W353 PolarHBondContact OG-NE1 3.22Å; S74-W353 VanDerWaalsContact CA-CZ2 3.45Å; A77-W353 HydrophobicContact CB-CB 3.84Å; A77-W353 HydrophobicContact CB-CD2 3.77Å; A77-W353 HydrophobicContact CB-CG 3.35Å; P319-W353 HydrophobicContact CB-CH2 3.77Å; P319-W353 HydrophobicContact CB-CZ2 4.35Å; P319-W353 HydrophobicContact CB-CZ3 4.47Å; P319-W353 WeakPolarHBondContact O-CZ3 3.31Å; I321-W353 HydrophobicContact CB-CZ3 4.24Å; I321-W353 HydrophobicContact CD1-CD2 4.28Å; I321-W353 HydrophobicContact CD1-CE3 3.71Å; I321-W353 HydrophobicContact CD1-CZ3 3.96Å; I321-W353 HydrophobicContact CG1-CE3 3.78Å; I321-W353 HydrophobicContact CG1-CZ3 3.7Å; I321-W353 HydrophobicContact CG2-CH2 4.03Å; I321-W353 HydrophobicContact CG2-CZ3 3.83Å; Y340-W353 WeakPolarHBondContact O-CA 3.3Å; L341-W353 HydrophobicContact CB-CD2 3.99Å; L341-W353 HydrophobicContact CB-CE3 4.21Å; L341-W353 HydrophobicContact CB-CH2 4.23Å; L341-W353 HydrophobicContact CB-CZ2 3.99Å; L341-W353 HydrophobicContact CB-CZ3 4.32Å; L341-W353 HydrophobicContact CD2-CZ2 4.39Å
354E98.2Very high97.5Very high69 Ų6963.9 Ų63.932%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-135157.5-177.765.8-171118.700111.7Y339 Y340 E356Y339-E354 CarbonylContact C-O 3.53Å; Y339-E354 WeakPolarHBondContact CA-O 3.37Å; Y339-E354 WeakPolarHBondContact CB-O 3.17Å; Y340-E354 HydrophobicContact CD1-CG 3.85Å; Y340-E354 HydrophobicContact CE1-CG 3.42Å; Y340-E354 VanDerWaalsContact CE1-CG 3.42Å; Y340-E354 PolarHBondContact N-O 3.47Å; Y340-E354 PolarHBondContact O-N 3.28Å; E354-E356 PolarHBondContact O-N 3.42Å
355K98.7Very high97.6Very high98 Ų9860.1 Ų60.143%0.42629%0.294SS..EExtended strand (participates in β ladder)trans-66.5118.4175.8-177.6-179.172.8160.90107.4V337 Y339 E361V337-K355 HydrophobicContact CG1-CD 3.93Å; V337-K355 HydrophobicContact CG1-CG 3.82Å; Y339-K355 HydrophobicContact CD1-CB 4.06Å; Y339-K355 HydrophobicContact CE1-CB 3.86Å; Y339-K355 HydrophobicContact CE1-CG 4.45Å; K355-E361 IonicContact NZ-OE1 3.87Å; K355-E361 IonicContact NZ-OE2 2.79Å; K355-E361 PolarHBondContact NZ-OE2 3.36Å
356E98.8Very high97.6Very high24 Ų2461 Ų6111%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-74.6-61.1170-174.4-176.1-149.100108.6T338 Y340 E354 F393 V396 S397T338-E356 WeakPolarHBondContact CG2-OE2 3.27Å; T338-E356 WeakPolarHBondContact O-CB 3.33Å; T338-E356 PolarHBondContact O-N 2.85Å; Y340-E356 HydrophobicContact CD1-CB 3.68Å; Y340-E356 HydrophobicContact CD1-CG 4.24Å; Y340-E356 HydrophobicContact CE1-CB 4.23Å; Y340-E356 HydrophobicContact CE1-CG 4.5Å; Y340-E356 HydrophobicContact CG-CB 4.29Å; E354-E356 PolarHBondContact O-N 3.42Å; E356-F393 HydrophobicContact CG-CD1 3.87Å; E356-F393 HydrophobicContact CG-CE1 4.11Å; E356-V396 WeakPolarHBondContact OE1-CA 3.49Å; E356-S397 PolarHBondContact OE1-N 2.83Å; E356-S397 PolarHBondContact OE1-OG 2.73Å
357Y98.9Very high97.6Very high14 Ų1462.6 Ų62.66%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-155.8164.417879.6-82.3000113.7D280 V337 T338 L359 S362 F363 F393D280-Y357 PolarHBondContact OD1-OH 2.93Å; D280-Y357 WeakPolarHBondContact OD2-CE1 3.41Å; D280-Y357 VanDerWaalsContact OD2-CZ 3.26Å; D280-Y357 PolarHBondContact OD2-OH 3.3Å; V337-Y357 WeakPolarHBondContact CA-O 3.49Å; T338-Y357 PolarHBondContact N-O 3.01Å; T338-Y357 VanDerWaalsContact N-O 3.08Å; T338-Y357 PolarHBondContact O-N 3.16Å; T338-Y357 WeakPolarHBondContact OG1-CE1 3.41Å; Y357-L359 HydrophobicContact CE2-CB 4.13Å; Y357-S362 WeakPolarHBondContact CB-OG 3.43Å; Y357-F363 HydrophobicContact CE2-CE2 4.39Å; Y357-F393 VanDerWaalsContact CB-CZ 3.5Å; Y357-F393 HydrophobicContact CD1-CB 4.19Å; Y357-F393 AromaticContact CD1-CD1 3.86Å; Y357-F393 HydrophobicContact CD1-CD1 3.86Å; Y357-F393 AromaticContact CD1-CD2 3.66Å; Y357-F393 HydrophobicContact CD1-CD2 3.66Å; Y357-F393 HydrophobicContact CD1-CE1 4.13Å; Y357-F393 AromaticContact CD1-CE2 3.93Å; Y357-F393 HydrophobicContact CD1-CE2 3.93Å; Y357-F393 AromaticContact CD1-CG 3.64Å; Y357-F393 HydrophobicContact CD1-CG 3.64Å; Y357-F393 HydrophobicContact CD1-CZ 4.17Å; Y357-F393 HydrophobicContact CD2-CD2 4.08Å; Y357-F393 AromaticContact CD2-CE2 3.93Å; Y357-F393 HydrophobicContact CD2-CE2 3.93Å; Y357-F393 HydrophobicContact CE1-CB 3.91Å; Y357-F393 HydrophobicContact CE1-CD1 4.45Å; Y357-F393 AromaticContact CE1-CD2 3.88Å; Y357-F393 HydrophobicContact CE1-CD2 3.88Å; Y357-F393 AromaticContact CE1-CG 3.84Å; Y357-F393 HydrophobicContact CE1-CG 3.84Å; Y357-F393 HydrophobicContact CE2-CD2 4.31Å; Y357-F393 HydrophobicContact CG-CD1 4.38Å; Y357-F393 AromaticContact CG-CD2 3.77Å; Y357-F393 HydrophobicContact CG-CD2 3.77Å; Y357-F393 HydrophobicContact CG-CE1 4.24Å; Y357-F393 AromaticContact CG-CE2 3.59Å; Y357-F393 HydrophobicContact CG-CE2 3.59Å; Y357-F393 HydrophobicContact CG-CG 4.18Å; Y357-F393 AromaticContact CG-CZ 3.86Å; Y357-F393 HydrophobicContact CG-CZ 3.86Å
358R98.9Very high97.6Very high47 Ų4760.6 Ų60.618%0.17731%0.305CS..EExtended strand (participates in β ladder)trans-115130.6164.8173.5178.2-74.4-90.61108.2E325 D335 V336 V337 T360 E361 S362E325-R358 IonicContact OE1-CZ 3.37Å; E325-R358 IonicContact OE1-NH1 3.97Å; E325-R358 PolarHBondContact OE1-NH1 2.73Å; E325-R358 IonicContact OE1-NH2 3.69Å; E325-R358 PolarHBondContact OE1-NH2 2.87Å; E325-R358 IonicContact OE2-CZ 3.79Å; E325-R358 IonicContact OE2-NH1 2.91Å; E325-R358 PolarHBondContact OE2-NH1 3.4Å; E325-R358 IonicContact OE2-NH2 2.81Å; D335-R358 VanDerWaalsContact CG-CG 3.49Å; D335-R358 VanDerWaalsContact CG-NH1 3.31Å; D335-R358 WeakPolarHBondContact OD1-CG 3.29Å; D335-R358 WeakPolarHBondContact OD2-CD 3.43Å; D335-R358 WeakPolarHBondContact OD2-CG 3.15Å; D335-R358 IonicContact OD2-CZ 3.45Å; D335-R358 IonicContact OD2-NE 2.76Å; D335-R358 IonicContact OD2-NH1 2.68Å; D335-R358 PolarHBondContact OD2-NH1 3.21Å; V336-R358 WeakPolarHBondContact O-CA 3.35Å; V337-R358 HydrophobicContact CG2-CB 4.26Å; V337-R358 HydrophobicContact CG2-CG 4.16Å; R358-T360 PolarHBondContact O-N 3.23Å; R358-E361 HydrophobicContact CB-CB 4.18Å; R358-E361 HydrophobicContact CB-CG 4.09Å; R358-E361 WeakPolarHBondContact CD-OE1 3.33Å; R358-E361 HydrophobicContact CG-CB 4.45Å; R358-E361 HydrophobicContact CG-CG 4.11Å; R358-E361 IonicContact NE-OE1 2.92Å; R358-E361 PolarHBondContact O-N 3.44Å; R358-S362 WeakPolarHBondContact O-CB 3.3Å; R358-S362 PolarHBondContact O-N 3.45Å; R358-S362 PolarHBondContact O-OG 2.99Å
359L98.8Very high97.6Very high5 Ų557.4 Ų57.43%0.02628%0.277CS..Hα-helixtrans-59.2-48.8-170.7-177.7149.2000112.3F297 D335 V336 Y357 E361 S362 F363 V365 A368 M373F297-L359 HydrophobicContact CE1-CD1 4.3Å; D335-L359 PolarHBondContact OD1-N 3.13Å; V336-L359 HydrophobicContact CB-CB 4.01Å; V336-L359 HydrophobicContact CB-CD1 4.13Å; V336-L359 HydrophobicContact CG2-CD1 4Å; V336-L359 PolarHBondContact O-N 3.23Å; Y357-L359 HydrophobicContact CE2-CB 4.13Å; L359-E361 VanDerWaalsContact C-N 3.35Å; L359-E361 PolarHBondContact O-N 3.4Å; L359-S362 PolarHBondContact O-N 3.19Å; L359-F363 HydrophobicContact CG-CD2 4.47Å; L359-F363 PolarHBondContact O-N 3.23Å; L359-V365 HydrophobicContact CD2-CG2 3.63Å; L359-A368 HydrophobicContact CD2-CB 4.29Å; L359-M373 HydrophobicContact CD1-CE 4.01Å; L359-M373 HydrophobicContact CD1-SD 3.65Å; L359-M373 HydrophobicContact CD2-SD 4.01Å; L359-M373 HydrophobicContact CG-SD 4.4Å
360T98.6Very high97.8Very high25 Ų2552.8 Ų52.815%0.15325%0.254CS..Hα-helixtrans-62.7-39.5-179.259.50000112.5D335 R358 R364 V365D335-T360 HydrophobicContact CB-CG2 4.29Å; D335-T360 VanDerWaalsContact CG-CG2 3.43Å; D335-T360 WeakPolarHBondContact OD1-CG2 2.95Å; D335-T360 PolarHBondContact OD1-N 3.12Å; D335-T360 WeakPolarHBondContact OD2-CG2 3.5Å; D335-T360 PolarHBondContact OD2-OG1 3.27Å; R358-T360 PolarHBondContact O-N 3.23Å; T360-R364 WeakPolarHBondContact O-CA 3.22Å; T360-R364 PolarHBondContact O-N 3.1Å; T360-V365 WeakPolarHBondContact CA-O 3.38Å; T360-V365 WeakPolarHBondContact CB-O 3.18Å; T360-V365 WeakPolarHBondContact CG2-O 3.21Å; T360-V365 PolarHBondContact O-N 2.77Å
361E98.6Very high98.1Very high112 Ų11252.3 Ų52.352%0.52325%0.253SS..Hα-helixtrans-65.4-52176-70.1173.7-175.500111K355 R358 L359 F363K355-E361 IonicContact NZ-OE1 3.87Å; K355-E361 IonicContact NZ-OE2 2.79Å; K355-E361 PolarHBondContact NZ-OE2 3.36Å; R358-E361 HydrophobicContact CB-CB 4.18Å; R358-E361 HydrophobicContact CB-CG 4.09Å; R358-E361 WeakPolarHBondContact CD-OE1 3.33Å; R358-E361 HydrophobicContact CG-CB 4.45Å; R358-E361 HydrophobicContact CG-CG 4.11Å; R358-E361 IonicContact NE-OE1 2.92Å; R358-E361 PolarHBondContact O-N 3.44Å; L359-E361 VanDerWaalsContact C-N 3.35Å; L359-E361 PolarHBondContact O-N 3.4Å; E361-F363 PolarHBondContact O-N 3.37Å
362S98.3Very high98.3Very high18 Ų1849 Ų4913%0.12624%0.238CC..Hα-helixtrans-65.9-42.1-173.3-82.20000113Y357 R358 L359 K389Y357-S362 WeakPolarHBondContact CB-OG 3.43Å; R358-S362 WeakPolarHBondContact O-CB 3.3Å; R358-S362 PolarHBondContact O-N 3.45Å; R358-S362 PolarHBondContact O-OG 2.99Å; L359-S362 PolarHBondContact O-N 3.19Å; S362-K389 PolarHBondContact O-NZ 2.82Å
363F98.4Very high98.5Very high6 Ų641.3 Ų41.33%0.02621%0.209CC..Hα-helixtrans-104.91.9-175.4-65.1-79000113.8Y357 L359 E361 V365 V376 R379 M380 Y386 Y390 F393Y357-F363 HydrophobicContact CE2-CE2 4.39Å; L359-F363 HydrophobicContact CG-CD2 4.47Å; L359-F363 PolarHBondContact O-N 3.23Å; E361-F363 PolarHBondContact O-N 3.37Å; F363-V365 HydrophobicContact CB-CG2 4.45Å; F363-V365 PolarHBondContact O-N 3.43Å; F363-V376 HydrophobicContact CB-CG1 4.24Å; F363-V376 HydrophobicContact CB-CG2 3.7Å; F363-V376 HydrophobicContact CD1-CG1 3.62Å; F363-V376 HydrophobicContact CD2-CG1 4.19Å; F363-V376 HydrophobicContact CE1-CG1 3.97Å; F363-V376 HydrophobicContact CE2-CG1 4.49Å; F363-V376 HydrophobicContact CG-CG1 3.74Å; F363-V376 HydrophobicContact CG-CG2 4.1Å; F363-V376 HydrophobicContact CZ-CG1 4.39Å; F363-R379 PolarHBondContact O-NH1 2.84Å; F363-M380 HydrophobicContact CE1-CG 4.35Å; F363-Y386 AromaticContact CD1-CD1 3.75Å; F363-Y386 HydrophobicContact CD1-CD1 3.75Å; F363-Y386 HydrophobicContact CD1-CE1 4.43Å; F363-Y386 HydrophobicContact CE1-CD1 4.29Å; F363-Y390 HydrophobicContact CZ-CD2 4.48Å; F363-F393 HydrophobicContact CE2-CD2 4.38Å; F363-F393 HydrophobicContact CZ-CD2 4.44Å
364R98.3Very high98.5Very high184 Ų18442.9 Ų42.969%0.69422%0.217SC*.THydrogen-bonded Turntrans49.855.4178.1-55.6-178.5-177.3176.71112.3T360 R379T360-R364 WeakPolarHBondContact O-CA 3.22Å; T360-R364 PolarHBondContact O-N 3.1Å; R364-R379 PolarHBondContact O-NH1 3.17Å; R364-R379 PolarHBondContact O-NH2 2.76Å; R364-R379 VanDerWaalsContact O-NH2 3.15Å
365V98.4Very high98.5Very high7 Ų743.6 Ų43.64%0.04222%0.221CC..  trans-122150.8174.7-68.90000109.1L359 T360 F363 D367 Q375 V376L359-V365 HydrophobicContact CD2-CG2 3.63Å; T360-V365 WeakPolarHBondContact CA-O 3.38Å; T360-V365 WeakPolarHBondContact CB-O 3.18Å; T360-V365 WeakPolarHBondContact CG2-O 3.21Å; T360-V365 PolarHBondContact O-N 2.77Å; F363-V365 HydrophobicContact CB-CG2 4.45Å; F363-V365 PolarHBondContact O-N 3.43Å; V365-D367 VanDerWaalsContact C-N 3.34Å; V365-D367 WeakPolarHBondContact CG2-O 3.31Å; V365-D367 PolarHBondContact O-N 3.2Å; V365-Q375 HydrophobicContact CG1-CB 4.22Å; V365-V376 HydrophobicContact CG1-CG2 3.87Å; V365-V376 HydrophobicContact CG2-CG2 4.04Å
366P97.7Very high98.5Very high104 Ų10439 Ų3968%0.67520%0.201SC*.SBendtrans-74.2-24.4-172.729.4-36.3000113.8S372P366-S372 WeakPolarHBondContact CD-OG 3.4Å
367D98Very high98.5Very high37 Ų3737.8 Ų37.820%0.19820%0.195CC..SBendtrans-157.3-171.8-179.157.934.1000111.2K334 V365 S369 S372K334-D367 CarbonylContact O-C 3.57Å; K334-D367 WeakPolarHBondContact O-CA 3.09Å; V365-D367 VanDerWaalsContact C-N 3.34Å; V365-D367 WeakPolarHBondContact CG2-O 3.31Å; V365-D367 PolarHBondContact O-N 3.2Å; D367-S369 WeakPolarHBondContact OD1-CB 3.37Å; D367-S369 PolarHBondContact OD1-N 3.14Å; D367-S369 PolarHBondContact OD1-OG 3.46Å; D367-S372 WeakPolarHBondContact O-CB 3.18Å; D367-S372 PolarHBondContact O-OG 2.79Å; D367-S372 WeakPolarHBondContact OD1-CB 3.39Å; D367-S372 PolarHBondContact OD1-OG 2.87Å
368A98.1Very high98.5Very high3 Ų340.6 Ų40.63%0.02521%0.209CC..SBendtrans-104.827.6172.800000112.7F297 V333 K334 V336 L359F297-A368 HydrophobicContact CE1-CB 4.34Å; F297-A368 HydrophobicContact CZ-CB 3.9Å; V333-A368 HydrophobicContact CB-CB 4.13Å; V333-A368 HydrophobicContact CG1-CB 3.72Å; V333-A368 CarbonylContact O-C 3.42Å; V333-A368 PolarHBondContact O-N 2.68Å; K334-A368 PolarHBondContact O-N 3.15Å; V336-A368 HydrophobicContact CG2-CB 4.14Å; L359-A368 HydrophobicContact CD2-CB 4.29Å
369S98.2Very high98.4Very high21 Ų2141.6 Ų41.615%0.14721%0.213CC..SBendtrans-64.5160.9174.9700000111.9D367 G371 S372 M373D367-S369 WeakPolarHBondContact OD1-CB 3.37Å; D367-S369 PolarHBondContact OD1-N 3.14Å; D367-S369 PolarHBondContact OD1-OG 3.46Å; S369-G371 PolarHBondContact O-N 2.74Å; S369-G371 VanDerWaalsContact O-N 3.15Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact OG-N 2.89Å; S369-S372 PolarHBondContact OG-OG 3.36Å; S369-M373 WeakPolarHBondContact O-CG 3.5Å; S369-M373 PolarHBondContact O-N 2.73Å
370P98.2Very high98.4Very high30 Ų3041.4 Ų41.420%0.19521%0.211CC..Hα-helixtrans-54.2-34.9173.7-27.235.4000113.5M284 P292 H374M284-P370 WeakPolarHBondContact CE-O 3.47Å; P292-P370 HydrophobicContact CB-CB 4.39Å; P370-H374 WeakPolarHBondContact O-CB 3.37Å; P370-H374 PolarHBondContact O-N 3.01Å
371G98.4Very high98.3Very high33 Ų3340.7 Ų40.734%0.3421%0.208SC..Hα-helixtrans-66.8-42175.700000112.9S369 Q375S369-G371 PolarHBondContact O-N 2.74Å; S369-G371 VanDerWaalsContact O-N 3.15Å; G371-Q375 PolarHBondContact O-N 3.16Å
372S98.8Very high98.2Very high3 Ų339.5 Ų39.52%0.02122%0.218CC..Hα-helixtrans-68.7-43.8175.1-70.50000112.1P366 D367 S369 H374 Q375 V376P366-S372 WeakPolarHBondContact CD-OG 3.4Å; D367-S372 WeakPolarHBondContact O-CB 3.18Å; D367-S372 PolarHBondContact O-OG 2.79Å; D367-S372 WeakPolarHBondContact OD1-CB 3.39Å; D367-S372 PolarHBondContact OD1-OG 2.87Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact OG-N 2.89Å; S369-S372 PolarHBondContact OG-OG 3.36Å; S372-H374 VanDerWaalsContact C-N 3.29Å; S372-H374 PolarHBondContact O-N 3.27Å; S372-Q375 WeakPolarHBondContact O-CA 3.49Å; S372-Q375 WeakPolarHBondContact O-CB 3.42Å; S372-Q375 PolarHBondContact O-N 3.42Å; S372-V376 WeakPolarHBondContact O-CG2 3.02Å; S372-V376 PolarHBondContact O-N 2.59Å
373M98.9Very high98.2Very high3 Ų341.6 Ų41.62%0.01523%0.227CC..Hα-helixtrans-64.4-33.5177.1-66.1-50.7-60.400112.6F282 M284 A295 F297 L359 S369 Q375 V376 L377F282-M373 HydrophobicContact CB-CE 4.04Å; F282-M373 HydrophobicContact CD1-CE 3.74Å; F282-M373 HydrophobicContact CD2-CE 3.63Å; F282-M373 HydrophobicContact CE1-CE 4.06Å; F282-M373 HydrophobicContact CE2-CE 3.94Å; F282-M373 HydrophobicContact CG-CE 3.52Å; F282-M373 HydrophobicContact CZ-CE 4.15Å; M284-M373 HydrophobicContact CE-CB 4.39Å; M284-M373 HydrophobicContact SD-CB 3.63Å; A295-M373 HydrophobicContact CB-CB 4.02Å; A295-M373 HydrophobicContact CB-CG 3.88Å; F297-M373 HydrophobicContact CE1-CE 4.13Å; F297-M373 HydrophobicContact CE1-CG 4.29Å; F297-M373 HydrophobicContact CE1-SD 4Å; F297-M373 HydrophobicContact CZ-CG 4.23Å; F297-M373 HydrophobicContact CZ-SD 4.42Å; L359-M373 HydrophobicContact CD1-CE 4.01Å; L359-M373 HydrophobicContact CD1-SD 3.65Å; L359-M373 HydrophobicContact CD2-SD 4.01Å; L359-M373 HydrophobicContact CG-SD 4.4Å; S369-M373 WeakPolarHBondContact O-CG 3.5Å; S369-M373 PolarHBondContact O-N 2.73Å; M373-Q375 VanDerWaalsContact C-N 3.34Å; M373-V376 WeakPolarHBondContact O-CB 3.4Å; M373-V376 PolarHBondContact O-N 2.79Å; M373-V376 HydrophobicContact SD-CG2 4.31Å; M373-L377 PolarHBondContact O-N 3.15Å
374H98.8Very high98.1Very high57 Ų5746 Ų4626%0.26426%0.256SS..Hα-helixtrans-61-42.4168.6-179.765.6000111.6M284 Y286 P292 P370 S372 V376 L377 E378M284-H374 HydrophobicContact CE-CB 3.93Å; Y286-H374 AromaticContact CE1-ND1 3.64Å; Y286-H374 AromaticContact CZ-ND1 3.78Å; Y286-H374 PolarHBondContact OH-ND1 3.46Å; P292-H374 HydrophobicContact CB-CB 4.11Å; P292-H374 HydrophobicContact CG-CB 4.17Å; P370-H374 WeakPolarHBondContact O-CB 3.37Å; P370-H374 PolarHBondContact O-N 3.01Å; S372-H374 VanDerWaalsContact C-N 3.29Å; S372-H374 PolarHBondContact O-N 3.27Å; H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 2.81Å; H374-L377 WeakPolarHBondContact O-CB 3.49Å; H374-L377 PolarHBondContact O-N 2.03Å; H374-E378 IonicContact CE1-OE1 3.86Å; H374-E378 PolarHBondContact CE1-OE1 3.06Å; H374-E378 WeakPolarHBondContact O-CG 3.46Å; H374-E378 PolarHBondContact O-N 3Å
375Q98.8Very high98.1Very high84 Ų8441.6 Ų41.639%0.39325%0.253SS..Hα-helixtrans-64.3-37.5174.8-66.5174.149.300112.5V365 G371 S372 M373 E378 R379V365-Q375 HydrophobicContact CG1-CB 4.22Å; G371-Q375 PolarHBondContact O-N 3.16Å; S372-Q375 WeakPolarHBondContact O-CA 3.49Å; S372-Q375 WeakPolarHBondContact O-CB 3.42Å; S372-Q375 PolarHBondContact O-N 3.42Å; M373-Q375 VanDerWaalsContact C-N 3.34Å; Q375-E378 PolarHBondContact O-N 2.9Å; Q375-R379 WeakPolarHBondContact O-CB 3.4Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.33Å; Q375-R379 PolarHBondContact O-N 3.42Å
376V98.8Very high98.1Very high1 Ų142.6 Ų42.61%0.00626%0.256CS..Hα-helixtrans-58-50.3173.3176.40000110F282 F363 V365 S372 M373 H374 E378 R379 M380F282-V376 HydrophobicContact CE1-CG1 4.16Å; F282-V376 HydrophobicContact CZ-CB 4.48Å; F282-V376 HydrophobicContact CZ-CG1 4.14Å; F363-V376 HydrophobicContact CB-CG1 4.24Å; F363-V376 HydrophobicContact CB-CG2 3.7Å; F363-V376 HydrophobicContact CD1-CG1 3.62Å; F363-V376 HydrophobicContact CD2-CG1 4.19Å; F363-V376 HydrophobicContact CE1-CG1 3.97Å; F363-V376 HydrophobicContact CE2-CG1 4.49Å; F363-V376 HydrophobicContact CG-CG1 3.74Å; F363-V376 HydrophobicContact CG-CG2 4.1Å; F363-V376 HydrophobicContact CZ-CG1 4.39Å; V365-V376 HydrophobicContact CG1-CG2 3.87Å; V365-V376 HydrophobicContact CG2-CG2 4.04Å; S372-V376 WeakPolarHBondContact O-CG2 3.02Å; S372-V376 PolarHBondContact O-N 2.59Å; M373-V376 WeakPolarHBondContact O-CB 3.4Å; M373-V376 PolarHBondContact O-N 2.79Å; M373-V376 HydrophobicContact SD-CG2 4.31Å; H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 2.81Å; V376-E378 PolarHBondContact O-N 3.36Å; V376-R379 PolarHBondContact O-N 3.13Å; V376-M380 HydrophobicContact CG1-CG 4.48Å; V376-M380 HydrophobicContact CG1-SD 3.83Å; V376-M380 WeakPolarHBondContact O-CG 3.08Å; V376-M380 PolarHBondContact O-N 2.82Å
377L98.8Very high98.1Very high0 Ų038.1 Ų38.10%023%0.226CC..Hα-helixtrans-57.3-47.7177.3174.965.4000112.5F282 M284 Y286 M373 H374 R379 M380 A381 V412 A415 R416F282-L377 HydrophobicContact CE2-CB 4.08Å; F282-L377 HydrophobicContact CZ-CB 3.97Å; M284-L377 HydrophobicContact CB-CD2 4.48Å; M284-L377 HydrophobicContact CG-CD2 3.87Å; Y286-L377 WeakPolarHBondContact OH-CD2 3.29Å; M373-L377 PolarHBondContact O-N 3.15Å; H374-L377 WeakPolarHBondContact O-CB 3.49Å; H374-L377 PolarHBondContact O-N 2.03Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.21Å; L377-M380 PolarHBondContact O-N 2.9Å; L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.84Å; L377-V412 HydrophobicContact CD1-CG1 4.33Å; L377-A415 HydrophobicContact CD1-CB 3.84Å; L377-R416 HydrophobicContact CD1-CB 4.28Å; L377-R416 HydrophobicContact CD2-CB 3.72Å; L377-R416 HydrophobicContact CD2-CG 3.85Å
378E98.4Very high98.2Very high72 Ų7238 Ų3834%0.33623%0.225SC..Hα-helixtrans-66.7-33.4-179.6-65.5-51.2124.700112.1H374 Q375 V376 A381 A382 R416H374-E378 IonicContact CE1-OE1 3.86Å; H374-E378 PolarHBondContact CE1-OE1 3.06Å; H374-E378 WeakPolarHBondContact O-CG 3.46Å; H374-E378 PolarHBondContact O-N 3Å; Q375-E378 PolarHBondContact O-N 2.9Å; V376-E378 PolarHBondContact O-N 3.36Å; E378-A381 PolarHBondContact O-N 3.24Å; E378-A382 VanDerWaalsContact O-CB 3.3Å; E378-A382 WeakPolarHBondContact O-CB 3.16Å; E378-A382 PolarHBondContact O-N 3.22Å; E378-R416 VanDerWaalsContact CD-NH2 3.29Å; E378-R416 IonicContact OE1-CZ 3.8Å; E378-R416 IonicContact OE1-NE 3.59Å; E378-R416 IonicContact OE1-NH2 3.74Å; E378-R416 PolarHBondContact OE1-NH2 3.49Å; E378-R416 IonicContact OE2-NH2 3.49Å; E378-R416 PolarHBondContact OE2-NH2 2.91Å; E378-R416 VanDerWaalsContact OE2-NH2 3.14Å
379R98.2Very high98.2Very high69 Ų6941 Ų4126%0.2624%0.237SC..Hα-helixtrans-66.7-45.3172.5-72.3174.9-163.9-1688.8111.6F363 R364 Q375 V376 L377 A381 A382 D383 Y386F363-R379 PolarHBondContact O-NH1 2.84Å; R364-R379 PolarHBondContact O-NH1 3.17Å; R364-R379 PolarHBondContact O-NH2 2.76Å; R364-R379 VanDerWaalsContact O-NH2 3.15Å; Q375-R379 WeakPolarHBondContact O-CB 3.4Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.33Å; Q375-R379 PolarHBondContact O-N 3.42Å; V376-R379 PolarHBondContact O-N 3.13Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.21Å; R379-A381 PolarHBondContact O-N 2.84Å; R379-A382 PolarHBondContact O-N 3.44Å; R379-D383 WeakPolarHBondContact O-CB 3.4Å; R379-D383 PolarHBondContact O-N 3.04Å; R379-Y386 HydrophobicContact CB-CD2 4.1Å; R379-Y386 HydrophobicContact CB-CG 4.08Å
380M97.5Very high98.2Very high0 Ų040.4 Ų40.40%023%0.232CC..Hα-helixtrans-58.9-38.8174.3-69.6163.650.300111.7F282 F363 V376 L377 Y390F282-M380 HydrophobicContact CE1-CE 4.26Å; F282-M380 HydrophobicContact CE1-SD 3.74Å; F282-M380 HydrophobicContact CZ-SD 3.97Å; F363-M380 HydrophobicContact CE1-CG 4.35Å; V376-M380 HydrophobicContact CG1-CG 4.48Å; V376-M380 HydrophobicContact CG1-SD 3.83Å; V376-M380 WeakPolarHBondContact O-CG 3.08Å; V376-M380 PolarHBondContact O-N 2.82Å; L377-M380 PolarHBondContact O-N 2.9Å; M380-Y390 HydrophobicContact CE-CD1 3.31Å; M380-Y390 HydrophobicContact CE-CD2 3.54Å; M380-Y390 HydrophobicContact CE-CE1 3.49Å; M380-Y390 VanDerWaalsContact CE-CE1 3.49Å; M380-Y390 HydrophobicContact CE-CE2 3.72Å; M380-Y390 HydrophobicContact CE-CG 3.32Å; M380-Y390 HydrophobicContact CG-CG 4.32Å; M380-Y390 HydrophobicContact SD-CD1 4.3Å; M380-Y390 HydrophobicContact SD-CD2 3.63Å; M380-Y390 HydrophobicContact SD-CE2 4.19Å; M380-Y390 HydrophobicContact SD-CG 3.68Å
381A97.3Very high98.2Very high10 Ų1040.1 Ų40.18%0.08323%0.227CC..Hα-helixtrans-69.9-34.6177.700000112.6L377 E378 R379 R408 V412L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.84Å; E378-A381 PolarHBondContact O-N 3.24Å; R379-A381 PolarHBondContact O-N 2.84Å; A381-R408 PolarHBondContact O-NE 3.28Å; A381-R408 PolarHBondContact O-NH2 2.91Å; A381-V412 HydrophobicContact CB-CG1 3.98Å; A381-V412 HydrophobicContact CB-CG2 4.11Å
382A96.6Very high98.2Very high88 Ų8841.5 Ų41.573%0.72723%0.225SC*.Hα-helixtrans-98.3-25.6-171.800000115E378 R379E378-A382 VanDerWaalsContact O-CB 3.3Å; E378-A382 WeakPolarHBondContact O-CB 3.16Å; E378-A382 PolarHBondContact O-N 3.22Å; R379-A382 PolarHBondContact O-N 3.44Å
383D97.1Very high98.3Very high61 Ų6142.4 Ų42.433%0.32623%0.228SC..  trans-125.5113.7-169.6-174.2-25.3000111.2R379 C385 Y386 L387R379-D383 WeakPolarHBondContact O-CB 3.4Å; R379-D383 PolarHBondContact O-N 3.04Å; D383-C385 PolarHBondContact O-N 3.34Å; D383-C385 VanDerWaalsContact O-N 3.14Å; D383-C385 WeakPolarHBondContact OD1-CB 3.36Å; D383-C385 PolarHBondContact OD1-N 3.14Å; D383-Y386 HydrophobicContact CB-CD2 3.86Å; D383-Y386 PolarHBondContact O-N 2.87Å; D383-Y386 VanDerWaalsContact O-N 3.11Å; D383-Y386 WeakPolarHBondContact OD2-CD2 3.46Å; D383-L387 PolarHBondContact O-N 3.26Å
384P96.8Very high98.3Very high98 Ų9842.2 Ų42.264%0.63623%0.228SC*.Hα-helixtrans-55.6-29.3178.8-26.134.8000114.4L387 Q388P384-L387 PolarHBondContact O-N 3.3Å; P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.4Å; P384-Q388 PolarHBondContact O-N 3.29Å
385C97.9Very high98.3Very high92 Ų9239.5 Ų39.562%0.62222%0.215SC*.Hα-helixtrans-71.2-37.5179.3-63.70000111.9D383 K389D383-C385 PolarHBondContact O-N 3.34Å; D383-C385 VanDerWaalsContact O-N 3.14Å; D383-C385 WeakPolarHBondContact OD1-CB 3.36Å; D383-C385 PolarHBondContact OD1-N 3.14Å; C385-K389 WeakPolarHBondContact O-CB 3.17Å; C385-K389 PolarHBondContact O-N 3.49Å; C385-K389 VanDerWaalsContact O-N 3.12Å
386Y98.5Very high98.3Very high28 Ų2835.5 Ų35.511%0.1120%0.196CC..Hα-helixtrans-75.7-34.2175.1-76.3-75.9000111.8F363 R379 D383 Y390F363-Y386 AromaticContact CD1-CD1 3.75Å; F363-Y386 HydrophobicContact CD1-CD1 3.75Å; F363-Y386 HydrophobicContact CD1-CE1 4.43Å; F363-Y386 HydrophobicContact CE1-CD1 4.29Å; R379-Y386 HydrophobicContact CB-CD2 4.1Å; R379-Y386 HydrophobicContact CB-CG 4.08Å; D383-Y386 HydrophobicContact CB-CD2 3.86Å; D383-Y386 PolarHBondContact O-N 2.87Å; D383-Y386 VanDerWaalsContact O-N 3.11Å; D383-Y386 WeakPolarHBondContact OD2-CD2 3.46Å; Y386-Y390 WeakPolarHBondContact O-CB 3.33Å; Y386-Y390 PolarHBondContact O-N 3.11Å
387L98.6Very high98.3Very high10 Ų1036.8 Ų36.85%0.05221%0.205CC..Hα-helixtrans-59.4-53170.7178.163.8000111.2D383 P384 K389 Y390 Y391 C403 R408D383-L387 PolarHBondContact O-N 3.26Å; P384-L387 PolarHBondContact O-N 3.3Å; L387-K389 VanDerWaalsContact C-N 3.32Å; L387-K389 PolarHBondContact O-N 3.18Å; L387-Y390 WeakPolarHBondContact O-CB 3.48Å; L387-Y390 PolarHBondContact O-N 3.12Å; L387-Y390 VanDerWaalsContact O-N 3.16Å; L387-Y391 WeakPolarHBondContact O-CB 3.44Å; L387-Y391 PolarHBondContact O-N 3.49Å; L387-C403 HydrophobicContact CD2-CB 4.37Å; L387-C403 HydrophobicContact CG-CB 4.3Å; L387-R408 HydrophobicContact CD1-CB 4.46Å; L387-R408 HydrophobicContact CD1-CG 4.29Å; L387-R408 HydrophobicContact CD2-CB 3.58Å; L387-R408 HydrophobicContact CD2-CG 3.65Å
388Q98.7Very high98.2Very high36 Ų3639.3 Ų39.317%0.16822%0.215CC..Hα-helixtrans-60.5-44.4-178.1-176.258.333.700111.1P384 Y390 Y391 E392 T401P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.4Å; P384-Q388 PolarHBondContact O-N 3.29Å; Q388-Y390 PolarHBondContact O-N 3.14Å; Q388-Y391 WeakPolarHBondContact O-CB 3.42Å; Q388-Y391 PolarHBondContact O-N 3.27Å; Q388-Y391 VanDerWaalsContact O-N 3.13Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.41Å; Q388-E392 PolarHBondContact NE2-OE1 3.13Å; Q388-E392 WeakPolarHBondContact O-CG 3.44Å; Q388-E392 PolarHBondContact O-N 3.33Å; Q388-T401 PolarHBondContact NE2-O 3.42Å
389K98.5Very high98.2Very high64 Ų6436.4 Ų36.428%0.27820%0.202SC..Hα-helixtrans-58.1-45.9174.9-178.1-176.1-65.3166.20112.4S362 C385 L387 Y391 F393S362-K389 PolarHBondContact O-NZ 2.82Å; C385-K389 WeakPolarHBondContact O-CB 3.17Å; C385-K389 PolarHBondContact O-N 3.49Å; C385-K389 VanDerWaalsContact O-N 3.12Å; L387-K389 VanDerWaalsContact C-N 3.32Å; L387-K389 PolarHBondContact O-N 3.18Å; K389-Y391 VanDerWaalsContact C-N 3.32Å; K389-F393 HydrophobicContact CD-CE2 3.92Å; K389-F393 HydrophobicContact CD-CZ 4.31Å; K389-F393 HydrophobicContact CG-CD2 4.09Å; K389-F393 HydrophobicContact CG-CE2 3.4Å; K389-F393 VanDerWaalsContact CG-CE2 3.4Å; K389-F393 HydrophobicContact CG-CZ 3.75Å; K389-F393 VanDerWaalsContact O-CD2 3.27Å; K389-F393 WeakPolarHBondContact O-CD2 3.47Å; K389-F393 WeakPolarHBondContact O-CG 3.46Å; K389-F393 PolarHBondContact O-N 2.85Å
390Y98.8Very high98.2Very high9 Ų938.5 Ų38.54%0.03522%0.217CC..Hα-helixtrans-62.7-40.5175.5166.3-91.5000111.8S281 F282 F363 M380 Y386 L387 Q388 F393 N394 H411S281-Y390 PolarHBondContact OG-OH 2.87Å; F282-Y390 HydrophobicContact CD1-CE2 4.13Å; F282-Y390 HydrophobicContact CE1-CD2 4.39Å; F282-Y390 AromaticContact CE1-CE2 3.99Å; F282-Y390 HydrophobicContact CE1-CE2 3.99Å; F363-Y390 HydrophobicContact CZ-CD2 4.48Å; M380-Y390 HydrophobicContact CE-CD1 3.31Å; M380-Y390 HydrophobicContact CE-CD2 3.54Å; M380-Y390 HydrophobicContact CE-CE1 3.49Å; M380-Y390 VanDerWaalsContact CE-CE1 3.49Å; M380-Y390 HydrophobicContact CE-CE2 3.72Å; M380-Y390 HydrophobicContact CE-CG 3.32Å; M380-Y390 HydrophobicContact CG-CG 4.32Å; M380-Y390 HydrophobicContact SD-CD1 4.3Å; M380-Y390 HydrophobicContact SD-CD2 3.63Å; M380-Y390 HydrophobicContact SD-CE2 4.19Å; M380-Y390 HydrophobicContact SD-CG 3.68Å; Y386-Y390 WeakPolarHBondContact O-CB 3.33Å; Y386-Y390 PolarHBondContact O-N 3.11Å; L387-Y390 WeakPolarHBondContact O-CB 3.48Å; L387-Y390 PolarHBondContact O-N 3.12Å; L387-Y390 VanDerWaalsContact O-N 3.16Å; Q388-Y390 PolarHBondContact O-N 3.14Å; Y390-F393 PolarHBondContact O-N 3.41Å; Y390-N394 WeakPolarHBondContact O-CB 3.49Å; Y390-N394 PolarHBondContact O-N 2.85Å; Y390-H411 HydrophobicContact CE1-CB 3.99Å; Y390-H411 AromaticContact CE1-CG 3.99Å; Y390-H411 AromaticContact CE1-ND1 3.5Å; Y390-H411 WeakPolarHBondContact CE1-ND1 3.32Å
391Y98.8Very high98.2Very high24 Ų2442.3 Ų42.39%0.09424%0.241CC..Hα-helixtrans-65.3-41.9-179.4-175.2-107.3000112.5L387 Q388 K389 N394 D399 T401 C403 C407 H411L387-Y391 WeakPolarHBondContact O-CB 3.44Å; L387-Y391 PolarHBondContact O-N 3.49Å; Q388-Y391 WeakPolarHBondContact O-CB 3.42Å; Q388-Y391 PolarHBondContact O-N 3.27Å; Q388-Y391 VanDerWaalsContact O-N 3.13Å; K389-Y391 VanDerWaalsContact C-N 3.32Å; Y391-N394 WeakPolarHBondContact O-CB 3.28Å; Y391-N394 PolarHBondContact O-N 3.04Å; Y391-D399 PolarHBondContact OH-OD2 3.2Å; Y391-T401 WeakPolarHBondContact CD1-O 3.05Å; Y391-T401 WeakPolarHBondContact CE1-O 3.07Å; Y391-C403 HydrophobicContact CD1-CB 3.85Å; Y391-C403 HydrophobicContact CD2-CB 3.92Å; Y391-C403 HydrophobicContact CE1-CB 4.43Å; Y391-C403 HydrophobicContact CE2-CB 4.48Å; Y391-C403 HydrophobicContact CG-CB 3.58Å; Y391-C407 VanDerWaalsContact CD2-SG 3.51Å; Y391-C407 WeakPolarHBondContact CE2-SG 3.33Å; Y391-H411 AromaticContact CD2-CE1 3.98Å; Y391-H411 AromaticContact CD2-NE2 3.56Å; Y391-H411 AromaticContact CE2-NE2 3.49Å; Y391-H411 WeakPolarHBondContact CE2-NE2 3.16Å
392E98.8Very high98.2Very high62 Ų6249.9 Ų49.929%0.2927%0.274SS..Hα-helixtrans-58.7-49173.2-71.6169.2-166.400110.5Q388 N394 S395 S397 L400Q388-E392 WeakPolarHBondContact CG-OE1 3.41Å; Q388-E392 PolarHBondContact NE2-OE1 3.13Å; Q388-E392 WeakPolarHBondContact O-CG 3.44Å; Q388-E392 PolarHBondContact O-N 3.33Å; E392-N394 VanDerWaalsContact C-N 3.3Å; E392-N394 PolarHBondContact O-N 3.19Å; E392-S395 PolarHBondContact O-N 3.46Å; E392-S395 PolarHBondContact O-OG 2.92Å; E392-S397 VanDerWaalsContact O-CA 3.31Å; E392-S397 WeakPolarHBondContact O-CA 3.25Å; E392-S397 PolarHBondContact O-N 2.9Å; E392-L400 HydrophobicContact CB-CD2 4.27Å; E392-L400 HydrophobicContact CG-CD2 3.95Å
393F98.9Very high98.2Very high22 Ų2246.1 Ų46.110%0.09624%0.243CC..Hα-helixtrans-65.7-29.6177.1-59.8-27.8000113.3D280 E356 Y357 F363 K389 Y390 S395 V396D280-F393 VanDerWaalsContact CB-O 3.25Å; D280-F393 WeakPolarHBondContact CB-O 3.42Å; E356-F393 HydrophobicContact CG-CD1 3.87Å; E356-F393 HydrophobicContact CG-CE1 4.11Å; Y357-F393 VanDerWaalsContact CB-CZ 3.5Å; Y357-F393 HydrophobicContact CD1-CB 4.19Å; Y357-F393 AromaticContact CD1-CD1 3.86Å; Y357-F393 HydrophobicContact CD1-CD1 3.86Å; Y357-F393 AromaticContact CD1-CD2 3.66Å; Y357-F393 HydrophobicContact CD1-CD2 3.66Å; Y357-F393 HydrophobicContact CD1-CE1 4.13Å; Y357-F393 AromaticContact CD1-CE2 3.93Å; Y357-F393 HydrophobicContact CD1-CE2 3.93Å; Y357-F393 AromaticContact CD1-CG 3.64Å; Y357-F393 HydrophobicContact CD1-CG 3.64Å; Y357-F393 HydrophobicContact CD1-CZ 4.17Å; Y357-F393 HydrophobicContact CD2-CD2 4.08Å; Y357-F393 AromaticContact CD2-CE2 3.93Å; Y357-F393 HydrophobicContact CD2-CE2 3.93Å; Y357-F393 HydrophobicContact CE1-CB 3.91Å; Y357-F393 HydrophobicContact CE1-CD1 4.45Å; Y357-F393 AromaticContact CE1-CD2 3.88Å; Y357-F393 HydrophobicContact CE1-CD2 3.88Å; Y357-F393 AromaticContact CE1-CG 3.84Å; Y357-F393 HydrophobicContact CE1-CG 3.84Å; Y357-F393 HydrophobicContact CE2-CD2 4.31Å; Y357-F393 HydrophobicContact CG-CD1 4.38Å; Y357-F393 AromaticContact CG-CD2 3.77Å; Y357-F393 HydrophobicContact CG-CD2 3.77Å; Y357-F393 HydrophobicContact CG-CE1 4.24Å; Y357-F393 AromaticContact CG-CE2 3.59Å; Y357-F393 HydrophobicContact CG-CE2 3.59Å; Y357-F393 HydrophobicContact CG-CG 4.18Å; Y357-F393 AromaticContact CG-CZ 3.86Å; Y357-F393 HydrophobicContact CG-CZ 3.86Å; F363-F393 HydrophobicContact CE2-CD2 4.38Å; F363-F393 HydrophobicContact CZ-CD2 4.44Å; K389-F393 HydrophobicContact CD-CE2 3.92Å; K389-F393 HydrophobicContact CD-CZ 4.31Å; K389-F393 HydrophobicContact CG-CD2 4.09Å; K389-F393 HydrophobicContact CG-CE2 3.4Å; K389-F393 VanDerWaalsContact CG-CE2 3.4Å; K389-F393 HydrophobicContact CG-CZ 3.75Å; K389-F393 VanDerWaalsContact O-CD2 3.27Å; K389-F393 WeakPolarHBondContact O-CD2 3.47Å; K389-F393 WeakPolarHBondContact O-CG 3.46Å; K389-F393 PolarHBondContact O-N 2.85Å; Y390-F393 PolarHBondContact O-N 3.41Å; F393-S395 PolarHBondContact O-N 2.71Å; F393-V396 WeakPolarHBondContact O-CA 3.23Å; F393-V396 PolarHBondContact O-N 2.92Å
394N98.9Very high98.1Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-57.7-37.5-179.1178-103.4000112.6E242 K243 T279 D280 Y390 Y391 E392 V396 H411E242-N394 PolarHBondContact OE1-ND2 2.83Å; K243-N394 VanDerWaalsContact CD-OD1 3.31Å; K243-N394 WeakPolarHBondContact CD-OD1 3.46Å; T279-N394 CarbonylContact C-O 3.55Å; T279-N394 WeakPolarHBondContact CA-O 3.42Å; T279-N394 WeakPolarHBondContact CB-O 3.42Å; T279-N394 WeakPolarHBondContact CG2-O 3.49Å; D280-N394 PolarHBondContact N-O 2.89Å; D280-N394 WeakPolarHBondContact O-CA 3.33Å; D280-N394 PolarHBondContact O-ND2 3.19Å; Y390-N394 WeakPolarHBondContact O-CB 3.49Å; Y390-N394 PolarHBondContact O-N 2.85Å; Y391-N394 WeakPolarHBondContact O-CB 3.28Å; Y391-N394 PolarHBondContact O-N 3.04Å; E392-N394 VanDerWaalsContact C-N 3.3Å; E392-N394 PolarHBondContact O-N 3.19Å; N394-V396 VanDerWaalsContact C-N 3.31Å; N394-H411 PolarHBondContact OD1-CE1 2.92Å
395S98.8Very high98Very high0 Ų044.4 Ų44.40%023%0.234CC..THydrogen-bonded Turntrans-92.611.6174.169.40000113.3N317 N318 E392 F393 S397 Y398 D399N317-S395 WeakPolarHBondContact CA-O 3.3Å; N317-S395 WeakPolarHBondContact CB-O 3.4Å; N318-S395 PolarHBondContact N-O 3.37Å; E392-S395 PolarHBondContact O-N 3.46Å; E392-S395 PolarHBondContact O-OG 2.92Å; F393-S395 PolarHBondContact O-N 2.71Å; S395-S397 VanDerWaalsContact C-N 3.34Å; S395-Y398 WeakPolarHBondContact O-CB 3.4Å; S395-Y398 PolarHBondContact O-N 2.94Å; S395-Y398 PolarHBondContact OG-N 3.27Å; S395-D399 PolarHBondContact OG-N 3.03Å; S395-D399 PolarHBondContact OG-O 3.12Å
396V98.9Very high97.9Very high0 Ų044.5 Ų44.50%023%0.229CC..THydrogen-bonded Turntrans57.448.3-172.6-161.90000110.8P300 N317 N318 Y340 E356 F393 N394 Y398P300-V396 HydrophobicContact CB-CG2 3.32Å; P300-V396 HydrophobicContact CG-CG2 3.82Å; N317-V396 HydrophobicContact CB-CG2 4.15Å; N318-V396 HydrophobicContact CB-CB 4.04Å; N318-V396 HydrophobicContact CB-CG1 4.05Å; N318-V396 VanDerWaalsContact CB-O 3.3Å; N318-V396 WeakPolarHBondContact CB-O 3.12Å; N318-V396 PolarHBondContact ND2-O 3.19Å; N318-V396 WeakPolarHBondContact O-CB 3.41Å; Y340-V396 HydrophobicContact CD2-CG1 4.07Å; Y340-V396 HydrophobicContact CG-CG1 3.99Å; E356-V396 WeakPolarHBondContact OE1-CA 3.49Å; F393-V396 WeakPolarHBondContact O-CA 3.23Å; F393-V396 PolarHBondContact O-N 2.92Å; N394-V396 VanDerWaalsContact C-N 3.31Å; V396-Y398 PolarHBondContact O-N 2.54Å
397S98.6Very high97.8Very high27 Ų2744.1 Ų44.119%0.18923%0.23CC..SBendtrans58.331.7-179.4-55.30000113.9N318 E356 E392 S395N318-S397 PolarHBondContact ND2-O 3.16Å; E356-S397 PolarHBondContact OE1-N 2.83Å; E356-S397 PolarHBondContact OE1-OG 2.73Å; E392-S397 VanDerWaalsContact O-CA 3.31Å; E392-S397 WeakPolarHBondContact O-CA 3.25Å; E392-S397 PolarHBondContact O-N 2.9Å; S395-S397 VanDerWaalsContact C-N 3.34Å
398Y98.5Very high97.8Very high54 Ų5445.6 Ų45.621%0.21224%0.235CC..SBendtrans-88.2-59.4173.7168.2-101.5000111.2Y62 D314 A316 S395 V396Y62-Y398 AromaticContact CD1-CD2 3.96Å; Y62-Y398 HydrophobicContact CD1-CD2 3.96Å; Y62-Y398 AromaticContact CD1-CE2 3.8Å; Y62-Y398 HydrophobicContact CD1-CE2 3.8Å; Y62-Y398 HydrophobicContact CD2-CD2 4.5Å; Y62-Y398 AromaticContact CD2-CE2 3.78Å; Y62-Y398 HydrophobicContact CD2-CE2 3.78Å; Y62-Y398 AromaticContact CE1-CD2 3.44Å; Y62-Y398 HydrophobicContact CE1-CD2 3.44Å; Y62-Y398 VanDerWaalsContact CE1-CD2 3.44Å; Y62-Y398 AromaticContact CE1-CE2 3.68Å; Y62-Y398 HydrophobicContact CE1-CE2 3.68Å; Y62-Y398 HydrophobicContact CE1-CG 4.39Å; Y62-Y398 HydrophobicContact CE2-CD2 4.05Å; Y62-Y398 AromaticContact CE2-CE2 3.66Å; Y62-Y398 HydrophobicContact CE2-CE2 3.66Å; Y62-Y398 HydrophobicContact CG-CD2 4.45Å; Y62-Y398 AromaticContact CG-CE2 3.85Å; Y62-Y398 HydrophobicContact CG-CE2 3.85Å; Y62-Y398 AromaticContact CZ-CD2 3.48Å; Y62-Y398 VanDerWaalsContact CZ-CD2 3.48Å; Y62-Y398 AromaticContact CZ-CE2 3.59Å; D314-Y398 VanDerWaalsContact OD1-CE1 3.3Å; D314-Y398 WeakPolarHBondContact OD1-CE1 3.32Å; D314-Y398 VanDerWaalsContact OD1-CZ 3.31Å; D314-Y398 PolarHBondContact OD1-OH 2.72Å; A316-Y398 HydrophobicContact CB-CD1 4.07Å; A316-Y398 HydrophobicContact CB-CE1 3.72Å; A316-Y398 HydrophobicContact CB-CE2 4.29Å; A316-Y398 WeakPolarHBondContact O-CD1 3.49Å; S395-Y398 WeakPolarHBondContact O-CB 3.4Å; S395-Y398 PolarHBondContact O-N 2.94Å; S395-Y398 PolarHBondContact OG-N 3.27Å; V396-Y398 PolarHBondContact O-N 2.54Å
399D97.7Very high97.8Very high11 Ų1144 Ų446%0.05923%0.227CC..  trans-88.8110.2176.9-178.45.6000109.3Y391 S395 T401Y391-D399 PolarHBondContact OH-OD2 3.2Å; S395-D399 PolarHBondContact OG-N 3.03Å; S395-D399 PolarHBondContact OG-O 3.12Å; D399-T401 VanDerWaalsContact OD1-CB 3.26Å; D399-T401 WeakPolarHBondContact OD1-CB 3.22Å; D399-T401 VanDerWaalsContact OD1-CG2 3.28Å; D399-T401 WeakPolarHBondContact OD1-CG2 3.2Å; D399-T401 PolarHBondContact OD1-N 3.24Å; D399-T401 PolarHBondContact OD1-OG1 3.02Å; D399-T401 PolarHBondContact OD2-OG1 3.15Å
400L97.6Very high97.8Very high112 Ų11242.1 Ų42.159%0.58622%0.221SC*.  trans-105.314.1179.4-53.5-179.6000112.1E392E392-L400 HydrophobicContact CB-CD2 4.27Å; E392-L400 HydrophobicContact CG-CD2 3.95Å
401T97.5Very high97.8Very high81 Ų8142 Ų4250%0.49722%0.22SC..SBendtrans-68.7160.5175.662.80000111.3Q388 Y391 D399 C403Q388-T401 PolarHBondContact NE2-O 3.42Å; Y391-T401 WeakPolarHBondContact CD1-O 3.05Å; Y391-T401 WeakPolarHBondContact CE1-O 3.07Å; D399-T401 VanDerWaalsContact OD1-CB 3.26Å; D399-T401 WeakPolarHBondContact OD1-CB 3.22Å; D399-T401 VanDerWaalsContact OD1-CG2 3.28Å; D399-T401 WeakPolarHBondContact OD1-CG2 3.2Å; D399-T401 PolarHBondContact OD1-N 3.24Å; D399-T401 PolarHBondContact OD1-OG1 3.02Å; D399-T401 PolarHBondContact OD2-OG1 3.15Å; T401-C403 PolarHBondContact O-N 3.45Å
402E97.7Very high97.8Very high168 Ų16840.9 Ų40.979%0.78522%0.216SC*.  trans-72.4128.1178.9-172.7178.6177.300110.8D404E402-D404 PolarHBondContact O-N 3.28Å
403C97.4Very high97.8Very high9 Ų937.9 Ų37.96%0.06120%0.202CC..  trans-78101.5172-177.60000110.3L387 Y391 T401 C407 R408L387-C403 HydrophobicContact CD2-CB 4.37Å; L387-C403 HydrophobicContact CG-CB 4.3Å; Y391-C403 HydrophobicContact CD1-CB 3.85Å; Y391-C403 HydrophobicContact CD2-CB 3.92Å; Y391-C403 HydrophobicContact CE1-CB 4.43Å; Y391-C403 HydrophobicContact CE2-CB 4.48Å; Y391-C403 HydrophobicContact CG-CB 3.58Å; T401-C403 PolarHBondContact O-N 3.45Å; C403-C407 VanDerWaalsContact CA-SG 3.54Å; C403-C407 HydrophobicContact CB-CB 4.06Å; C403-C407 WeakPolarHBondContact CB-SG 3.21Å; C403-C407 VanDerWaalsContact SG-C 3.54Å; C403-C407 WeakPolarHBondContact SG-CB 3.3Å; C403-C407 CovalentContact SG-SG 2.04Å; C403-C407 PolarHBondContact SG-SG 3.45Å; C403-R408 PolarHBondContact SG-N 3.12Å
404D94.9Very high97.8Very high97 Ų9736.9 Ų36.952%0.51920%0.198SC..  trans-71.1-175.6-179.873.814.6000113.8E402 D406 C407 R408E402-D404 PolarHBondContact O-N 3.28Å; D404-D406 VanDerWaalsContact C-N 3.28Å; D404-D406 PolarHBondContact O-N 2.05Å; D404-D406 PolarHBondContact OD1-N 3.45Å; D404-C407 PolarHBondContact O-N 3.4Å; D404-C407 PolarHBondContact OD1-N 3.44Å; D404-R408 WeakPolarHBondContact O-CB 3.25Å; D404-R408 PolarHBondContact O-N 3.16Å
405G95Very high97.8Very high26 Ų2636.9 Ų36.927%0.26820%0.198SC..Hα-helixtrans-62.8-29.5-178.700000114.6V409 S434G405-V409 VanDerWaalsContact O-CG2 3.3Å; G405-V409 WeakPolarHBondContact O-CG2 3.44Å; G405-V409 PolarHBondContact O-N 2.97Å; G405-S434 WeakPolarHBondContact CA-OG 3.43Å; G405-S434 PolarHBondContact O-OG 2.93Å
406D95.3Very high97.8Very high95 Ų9538 Ų3851%0.50820%0.202SC..Hα-helixtrans-78.7-43.9177-95-41.5000110.6R245 D404 R408 V409 D410R245-D406 IonicContact CZ-OD1 3.66Å; R245-D406 IonicContact NH1-OD1 3.44Å; R245-D406 PolarHBondContact NH1-OD1 2.87Å; R245-D406 PolarHBondContact NH2-O 2.96Å; R245-D406 IonicContact NH2-OD1 2.93Å; R245-D406 PolarHBondContact NH2-OD1 3.12Å; D404-D406 VanDerWaalsContact C-N 3.28Å; D404-D406 PolarHBondContact O-N 2.05Å; D404-D406 PolarHBondContact OD1-N 3.45Å; D406-R408 VanDerWaalsContact C-N 3.31Å; D406-R408 PolarHBondContact O-N 3.48Å; D406-V409 PolarHBondContact O-N 3.45Å; D406-D410 PolarHBondContact O-N 3.34Å; D406-D410 VanDerWaalsContact O-N 3.12Å
407C96.9Very high97.7Very high20 Ų2039.1 Ų39.114%0.13521%0.207CC..Hα-helixtrans-53.8-47.9170.4169.70000111Y391 C403 D404 V409 D410 H411Y391-C407 VanDerWaalsContact CD2-SG 3.51Å; Y391-C407 WeakPolarHBondContact CE2-SG 3.33Å; C403-C407 VanDerWaalsContact CA-SG 3.54Å; C403-C407 HydrophobicContact CB-CB 4.06Å; C403-C407 WeakPolarHBondContact CB-SG 3.21Å; C403-C407 VanDerWaalsContact SG-C 3.54Å; C403-C407 WeakPolarHBondContact SG-CB 3.3Å; C403-C407 CovalentContact SG-SG 2.04Å; C403-C407 PolarHBondContact SG-SG 3.45Å; D404-C407 PolarHBondContact O-N 3.4Å; D404-C407 PolarHBondContact OD1-N 3.44Å; C407-V409 VanDerWaalsContact C-N 3.3Å; C407-V409 PolarHBondContact O-N 3.07Å; C407-D410 PolarHBondContact O-N 3.13Å; C407-D410 VanDerWaalsContact O-N 3.15Å; C407-H411 PolarHBondContact O-CD2 3.38Å; C407-H411 VanDerWaalsContact O-CD2 3.24Å; C407-H411 PolarHBondContact O-N 3.01Å; C407-H411 VanDerWaalsContact SG-CD2 3.53Å
408R98.1Very high97.7Very high40 Ų4038 Ų3815%0.15120%0.199CC..Hα-helixtrans-52.7-48176.5-178-176.3160.9-74.1-1.6112A381 L387 C403 D404 D406 D410 V412 E430A381-R408 PolarHBondContact O-NE 3.28Å; A381-R408 PolarHBondContact O-NH2 2.91Å; L387-R408 HydrophobicContact CD1-CB 4.46Å; L387-R408 HydrophobicContact CD1-CG 4.29Å; L387-R408 HydrophobicContact CD2-CB 3.58Å; L387-R408 HydrophobicContact CD2-CG 3.65Å; C403-R408 PolarHBondContact SG-N 3.12Å; D404-R408 WeakPolarHBondContact O-CB 3.25Å; D404-R408 PolarHBondContact O-N 3.16Å; D406-R408 VanDerWaalsContact C-N 3.31Å; D406-R408 PolarHBondContact O-N 3.48Å; R408-D410 VanDerWaalsContact C-N 3.34Å; R408-V412 HydrophobicContact CG-CG2 4.06Å; R408-V412 VanDerWaalsContact O-CB 3.25Å; R408-V412 WeakPolarHBondContact O-CB 3.31Å; R408-V412 VanDerWaalsContact O-CG2 3.23Å; R408-V412 WeakPolarHBondContact O-CG2 3.4Å; R408-V412 PolarHBondContact O-N 3.22Å; R408-E430 IonicContact CZ-OE2 3.3Å; R408-E430 VanDerWaalsContact CZ-OE2 3.3Å; R408-E430 IonicContact NH1-OE2 2.94Å; R408-E430 PolarHBondContact NH1-OE2 3.25Å; R408-E430 IonicContact NH2-OE2 3.07Å; R408-E430 PolarHBondContact NH2-OE2 3.18Å
409V98.4Very high97.7Very high2 Ų237.5 Ų37.51%0.01220%0.2CC..Hα-helixtrans-62.1-44.6-178.1171.20000110.4G405 D406 C407 C413 L427 E430G405-V409 VanDerWaalsContact O-CG2 3.3Å; G405-V409 WeakPolarHBondContact O-CG2 3.44Å; G405-V409 PolarHBondContact O-N 2.97Å; D406-V409 PolarHBondContact O-N 3.45Å; C407-V409 VanDerWaalsContact C-N 3.3Å; C407-V409 PolarHBondContact O-N 3.07Å; V409-C413 WeakPolarHBondContact O-CB 3.43Å; V409-C413 PolarHBondContact O-N 3.08Å; V409-C413 PolarHBondContact O-SG 3.28Å; V409-C413 VanDerWaalsContact O-SG 3.4Å; V409-L427 HydrophobicContact CG1-CD2 3.62Å; V409-E430 HydrophobicContact CG1-CB 4.31Å; V409-E430 HydrophobicContact CG2-CB 3.96Å
410D98.3Very high97.8Very high26 Ų2638.6 Ų38.614%0.13920%0.204CC..Hα-helixtrans-62.4-48.8-178.9-70.41.9000111.3R245 D406 C407 R408 A414R245-D410 IonicContact CZ-OD1 3.19Å; R245-D410 IonicContact NE-OD1 2.68Å; R245-D410 PolarHBondContact NE-OD1 3.33Å; R245-D410 IonicContact NE-OD2 3.97Å; R245-D410 IonicContact NH2-OD1 2.87Å; R245-D410 PolarHBondContact NH2-OD1 2.92Å; D406-D410 PolarHBondContact O-N 3.34Å; D406-D410 VanDerWaalsContact O-N 3.12Å; C407-D410 PolarHBondContact O-N 3.13Å; C407-D410 VanDerWaalsContact O-N 3.15Å; R408-D410 VanDerWaalsContact C-N 3.34Å; D410-A414 VanDerWaalsContact O-CB 3.22Å; D410-A414 WeakPolarHBondContact O-CB 3.3Å; D410-A414 PolarHBondContact O-N 3.49Å
411H98.8Very high97.8Very high6 Ų640.2 Ų40.23%0.02821%0.207CC..Hα-helixtrans-69.8-46.4-179.1-75.6-88.3000113E242 Y390 Y391 N394 C407 A415E242-H411 VanDerWaalsContact CG-ND1 3.31Å; E242-H411 WeakPolarHBondContact CG-ND1 3.41Å; Y390-H411 HydrophobicContact CE1-CB 3.99Å; Y390-H411 AromaticContact CE1-CG 3.99Å; Y390-H411 AromaticContact CE1-ND1 3.5Å; Y390-H411 WeakPolarHBondContact CE1-ND1 3.32Å; Y391-H411 AromaticContact CD2-CE1 3.98Å; Y391-H411 AromaticContact CD2-NE2 3.56Å; Y391-H411 AromaticContact CE2-NE2 3.49Å; Y391-H411 WeakPolarHBondContact CE2-NE2 3.16Å; N394-H411 PolarHBondContact OD1-CE1 2.92Å; C407-H411 PolarHBondContact O-CD2 3.38Å; C407-H411 VanDerWaalsContact O-CD2 3.24Å; C407-H411 PolarHBondContact O-N 3.01Å; C407-H411 VanDerWaalsContact SG-CD2 3.53Å; H411-A415 VanDerWaalsContact O-CB 3.29Å; H411-A415 WeakPolarHBondContact O-CB 3.23Å; H411-A415 PolarHBondContact O-N 3.38Å
412V98.7Very high97.7Very high0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-64.6-44.5-179.9170.20000110.8L377 A381 R408 A415 R416 E430L377-V412 HydrophobicContact CD1-CG1 4.33Å; A381-V412 HydrophobicContact CB-CG1 3.98Å; A381-V412 HydrophobicContact CB-CG2 4.11Å; R408-V412 HydrophobicContact CG-CG2 4.06Å; R408-V412 VanDerWaalsContact O-CB 3.25Å; R408-V412 WeakPolarHBondContact O-CB 3.31Å; R408-V412 VanDerWaalsContact O-CG2 3.23Å; R408-V412 WeakPolarHBondContact O-CG2 3.4Å; R408-V412 PolarHBondContact O-N 3.22Å; V412-A415 PolarHBondContact O-N 3.04Å; V412-R416 WeakPolarHBondContact O-CB 3.26Å; V412-R416 PolarHBondContact O-N 2.71Å; V412-E430 HydrophobicContact CG1-CG 4.44Å
413C98.8Very high97.8Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-71.3-38.2-178.1-69.20000112.7V409 R416 E417 Y423 C426 L427V409-C413 WeakPolarHBondContact O-CB 3.43Å; V409-C413 PolarHBondContact O-N 3.08Å; V409-C413 PolarHBondContact O-SG 3.28Å; V409-C413 VanDerWaalsContact O-SG 3.4Å; C413-R416 PolarHBondContact O-N 3.15Å; C413-E417 PolarHBondContact O-N 2.92Å; C413-Y423 HydrophobicContact CB-CD2 3.99Å; C413-Y423 HydrophobicContact CB-CE2 3.84Å; C413-C426 WeakPolarHBondContact CA-SG 3.29Å; C413-C426 HydrophobicContact CB-CB 3.76Å; C413-C426 WeakPolarHBondContact CB-SG 3.48Å; C413-C426 WeakPolarHBondContact SG-CB 3.24Å; C413-C426 PolarHBondContact SG-O 3.49Å; C413-C426 CovalentContact SG-SG 2.05Å; C413-C426 PolarHBondContact SG-SG 3.11Å; C413-L427 HydrophobicContact CB-CD2 3.96Å; C413-L427 PolarHBondContact SG-N 3.06Å
414A98.8Very high97.8Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-63.9-43174.200000111.5F240 E242 R283 D410 Y423F240-A414 HydrophobicContact CB-CB 4.41Å; E242-A414 HydrophobicContact CB-CB 3.71Å; R283-A414 WeakPolarHBondContact CD-O 3.48Å; R283-A414 PolarHBondContact NE-O 3.28Å; D410-A414 VanDerWaalsContact O-CB 3.22Å; D410-A414 WeakPolarHBondContact O-CB 3.3Å; D410-A414 PolarHBondContact O-N 3.49Å; A414-Y423 HydrophobicContact CB-CE2 4.31Å
415A98.8Very high98Very high0 Ų036.3 Ų36.30%018%0.176CC..Hα-helixtrans-67.9-35.5177.800000113F282 M284 L377 H411 V412F282-A415 HydrophobicContact CE2-CB 4.48Å; F282-A415 HydrophobicContact CZ-CB 4.39Å; F282-A415 WeakPolarHBondContact O-CA 3.33Å; M284-A415 PolarHBondContact N-O 2.89Å; L377-A415 HydrophobicContact CD1-CB 3.84Å; H411-A415 VanDerWaalsContact O-CB 3.29Å; H411-A415 WeakPolarHBondContact O-CB 3.23Å; H411-A415 PolarHBondContact O-N 3.38Å; V412-A415 PolarHBondContact O-N 3.04Å
416R98.6Very high98.1Very high25 Ų2535.5 Ų35.59%0.09417%0.165CC..Hα-helixtrans-81.1-41.9-177.2-172.2176.4-79.6163.4-4.5113.4Y286 L377 E378 V412 C413 E430Y286-R416 HydrophobicContact CE2-CG 4.32Å; Y286-R416 WeakPolarHBondContact CE2-O 3.42Å; L377-R416 HydrophobicContact CD1-CB 4.28Å; L377-R416 HydrophobicContact CD2-CB 3.72Å; L377-R416 HydrophobicContact CD2-CG 3.85Å; E378-R416 VanDerWaalsContact CD-NH2 3.29Å; E378-R416 IonicContact OE1-CZ 3.8Å; E378-R416 IonicContact OE1-NE 3.59Å; E378-R416 IonicContact OE1-NH2 3.74Å; E378-R416 PolarHBondContact OE1-NH2 3.49Å; E378-R416 IonicContact OE2-NH2 3.49Å; E378-R416 PolarHBondContact OE2-NH2 2.91Å; E378-R416 VanDerWaalsContact OE2-NH2 3.14Å; V412-R416 WeakPolarHBondContact O-CB 3.26Å; V412-R416 PolarHBondContact O-N 2.71Å; C413-R416 PolarHBondContact O-N 3.15Å; R416-E430 IonicContact CZ-OE1 2.93Å; R416-E430 IonicContact NH1-OE1 3.8Å; R416-E430 PolarHBondContact NH1-OE1 3.35Å
417E98.1Very high98.2Very high22 Ų2232 Ų3210%0.10315%0.147CC..  trans-126.8100.3-163.4-61.4-63177.500112.3C413 R422 C426C413-E417 PolarHBondContact O-N 2.92Å; E417-R422 HydrophobicContact CB-CB 4.2Å; E417-R422 HydrophobicContact CG-CB 4.07Å; E417-R422 IonicContact OE1-CZ 3.51Å; E417-R422 IonicContact OE1-NE 3.9Å; E417-R422 PolarHBondContact OE1-NE 3.32Å; E417-R422 IonicContact OE1-NH2 3.37Å; E417-R422 PolarHBondContact OE1-NH2 3.04Å; E417-R422 WeakPolarHBondContact OE2-CB 3.45Å; E417-R422 IonicContact OE2-CZ 3.27Å; E417-R422 VanDerWaalsContact OE2-CZ 3.22Å; E417-R422 IonicContact OE2-NE 3.21Å; E417-R422 PolarHBondContact OE2-NE 3.36Å; E417-R422 IonicContact OE2-NH2 3.69Å; E417-R422 PolarHBondContact OE2-NH2 3.21Å; E417-C426 HydrophobicContact CG-CB 3.96Å
418V98.6Very high98.2Very high3 Ų337.6 Ų37.62%0.01818%0.175CC..  trans-78.5-26.6172.8-179.50000111.4P238 N255 L259 R283 F285P238-V418 HydrophobicContact CB-CG1 3.79Å; P238-V418 HydrophobicContact CG-CG1 3.95Å; N255-V418 PolarHBondContact ND2-O 3.37Å; L259-V418 HydrophobicContact CD1-CG1 4.24Å; L259-V418 HydrophobicContact CD2-CB 3.93Å; L259-V418 HydrophobicContact CD2-CG1 3.77Å; L259-V418 HydrophobicContact CG-CG1 4.15Å; R283-V418 HydrophobicContact CB-CG2 3.79Å; R283-V418 HydrophobicContact CG-CG2 4.3Å; F285-V418 HydrophobicContact CE1-CB 4.31Å; F285-V418 HydrophobicContact CE1-CG1 4.04Å; F285-V418 HydrophobicContact CE1-CG2 4.12Å; F285-V418 HydrophobicContact CE2-CG2 4.25Å; F285-V418 HydrophobicContact CZ-CG1 4.24Å; F285-V418 HydrophobicContact CZ-CG2 3.92Å
419D98.2Very high98.1Very high44 Ų4442.3 Ų42.324%0.23520%0.196CC..SBendtrans-73.1132.8175.5177.3-91.7000111.2L259 K421 R422 Y423L259-D419 HydrophobicContact CD1-CB 3.81Å; D419-K421 VanDerWaalsContact C-N 3.35Å; D419-K421 PolarHBondContact O-N 2.62Å; D419-K421 WeakPolarHBondContact OD1-CA 3.28Å; D419-K421 WeakPolarHBondContact OD1-CB 3.46Å; D419-K421 PolarHBondContact OD1-N 2.04Å; D419-R422 HydrophobicContact CB-CB 4.09Å; D419-R422 HydrophobicContact CB-CG 4.11Å; D419-R422 PolarHBondContact O-N 2.62Å; D419-R422 PolarHBondContact OD1-N 3.21Å; D419-Y423 WeakPolarHBondContact O-CB 3.44Å; D419-Y423 PolarHBondContact O-N 2.84Å
420F98.4Very high97.8Very high34 Ų3442.8 Ų42.815%0.14920%0.198CC..Hα-helixtrans-61.7-40.9-174.9-81.5-135.4000112.8F240 S248 K252 N255 E424F240-F420 HydrophobicContact CE2-CB 4.45Å; F240-F420 AromaticContact CE2-CD2 3.75Å; F240-F420 HydrophobicContact CE2-CD2 3.75Å; F240-F420 HydrophobicContact CE2-CE2 4.18Å; F240-F420 HydrophobicContact CE2-CG 4.09Å; F240-F420 HydrophobicContact CZ-CB 4.06Å; F240-F420 AromaticContact CZ-CD1 3.88Å; F240-F420 HydrophobicContact CZ-CD1 3.88Å; F240-F420 AromaticContact CZ-CD2 3.65Å; F240-F420 HydrophobicContact CZ-CD2 3.65Å; F240-F420 HydrophobicContact CZ-CE1 4.24Å; F240-F420 HydrophobicContact CZ-CE2 4.01Å; F240-F420 AromaticContact CZ-CG 3.59Å; F240-F420 HydrophobicContact CZ-CG 3.59Å; F240-F420 HydrophobicContact CZ-CZ 4.31Å; S248-F420 VanDerWaalsContact CB-CZ 3.48Å; S248-F420 WeakPolarHBondContact OG-CE1 3.26Å; S248-F420 WeakPolarHBondContact OG-CZ 3.09Å; K252-F420 HydrophobicContact CB-CD1 4.11Å; K252-F420 HydrophobicContact CB-CE1 4.01Å; K252-F420 HydrophobicContact CB-CZ 4.5Å; K252-F420 HydrophobicContact CD-CD1 4.39Å; K252-F420 HydrophobicContact CG-CD1 4.06Å; K252-F420 HydrophobicContact CG-CE1 4.45Å; K252-F420 HydrophobicContact CG-CG 4.28Å; N255-F420 HydrophobicContact CB-CD2 4.2Å; N255-F420 HydrophobicContact CB-CE2 3.65Å; N255-F420 HydrophobicContact CB-CZ 4.39Å; N255-F420 VanDerWaalsContact CG-CE2 3.41Å; N255-F420 WeakPolarHBondContact ND2-CD2 3.39Å; F420-E424 WeakPolarHBondContact O-CG 3.45Å; F420-E424 PolarHBondContact O-N 3.49Å
421K97.6Very high97.3Very high146 Ų14642.4 Ų42.464%0.63520%0.201SC*.Hα-helixtrans-72.5-41.2-178.7-177.3-177.2176.2-174.90110.4D419 E424 Q425D419-K421 VanDerWaalsContact C-N 3.35Å; D419-K421 PolarHBondContact O-N 2.62Å; D419-K421 WeakPolarHBondContact OD1-CA 3.28Å; D419-K421 WeakPolarHBondContact OD1-CB 3.46Å; D419-K421 PolarHBondContact OD1-N 2.04Å; K421-E424 PolarHBondContact O-N 2.85Å; K421-Q425 WeakPolarHBondContact O-CG 3.05Å; K421-Q425 PolarHBondContact O-N 3.42Å; K421-Q425 VanDerWaalsContact O-N 3.14Å
422R97.4Very high96.7Very high76 Ų7644 Ų4429%0.28721%0.214SC..Hα-helixtrans-69.1-34.5178.6-63.918055.1164.2-2.2112.2E417 D419 Q425 C426E417-R422 HydrophobicContact CB-CB 4.2Å; E417-R422 HydrophobicContact CG-CB 4.07Å; E417-R422 IonicContact OE1-CZ 3.51Å; E417-R422 IonicContact OE1-NE 3.9Å; E417-R422 PolarHBondContact OE1-NE 3.32Å; E417-R422 IonicContact OE1-NH2 3.37Å; E417-R422 PolarHBondContact OE1-NH2 3.04Å; E417-R422 WeakPolarHBondContact OE2-CB 3.45Å; E417-R422 IonicContact OE2-CZ 3.27Å; E417-R422 VanDerWaalsContact OE2-CZ 3.22Å; E417-R422 IonicContact OE2-NE 3.21Å; E417-R422 PolarHBondContact OE2-NE 3.36Å; E417-R422 IonicContact OE2-NH2 3.69Å; E417-R422 PolarHBondContact OE2-NH2 3.21Å; D419-R422 HydrophobicContact CB-CB 4.09Å; D419-R422 HydrophobicContact CB-CG 4.11Å; D419-R422 PolarHBondContact O-N 2.62Å; D419-R422 PolarHBondContact OD1-N 3.21Å; R422-Q425 WeakPolarHBondContact O-CB 3.44Å; R422-Q425 PolarHBondContact O-N 3.39Å; R422-C426 WeakPolarHBondContact O-CB 3.3Å; R422-C426 PolarHBondContact O-N 3.41Å
423Y98.6Very high95.7Very high1 Ų147.7 Ų47.70%0.00424%0.237CC..Hα-helixtrans-58.9-50.4172.8176.5-96.6000111.6F240 S246 C413 A414 D419 Q425 C426 L427F240-Y423 HydrophobicContact CB-CD2 4.16Å; F240-Y423 HydrophobicContact CB-CE2 3.82Å; F240-Y423 AromaticContact CD1-CD1 3.91Å; F240-Y423 HydrophobicContact CD1-CD1 3.91Å; F240-Y423 AromaticContact CD1-CE1 3.75Å; F240-Y423 HydrophobicContact CD1-CE1 3.75Å; F240-Y423 HydrophobicContact CD1-CE2 4.44Å; F240-Y423 HydrophobicContact CD1-CG 4.31Å; F240-Y423 AromaticContact CD2-CD1 3.86Å; F240-Y423 HydrophobicContact CD2-CD1 3.86Å; F240-Y423 AromaticContact CD2-CD2 3.52Å; F240-Y423 HydrophobicContact CD2-CD2 3.52Å; F240-Y423 HydrophobicContact CD2-CE1 4.32Å; F240-Y423 HydrophobicContact CD2-CE2 4.04Å; F240-Y423 AromaticContact CD2-CG 3.42Å; F240-Y423 HydrophobicContact CD2-CG 3.42Å; F240-Y423 VanDerWaalsContact CD2-CG 3.42Å; F240-Y423 AromaticContact CE1-CD1 3.75Å; F240-Y423 HydrophobicContact CE1-CD1 3.75Å; F240-Y423 AromaticContact CE1-CE1 3.94Å; F240-Y423 HydrophobicContact CE1-CE1 3.94Å; F240-Y423 HydrophobicContact CE1-CG 4.31Å; F240-Y423 AromaticContact CE2-CD1 3.73Å; F240-Y423 HydrophobicContact CE2-CD1 3.73Å; F240-Y423 HydrophobicContact CE2-CD2 4.05Å; F240-Y423 AromaticContact CE2-CG 3.45Å; F240-Y423 HydrophobicContact CE2-CG 3.45Å; F240-Y423 VanDerWaalsContact CE2-CG 3.45Å; F240-Y423 AromaticContact CG-CD1 3.96Å; F240-Y423 HydrophobicContact CG-CD1 3.96Å; F240-Y423 AromaticContact CG-CD2 3.83Å; F240-Y423 HydrophobicContact CG-CD2 3.83Å; F240-Y423 AromaticContact CG-CE1 3.95Å; F240-Y423 HydrophobicContact CG-CE1 3.95Å; F240-Y423 AromaticContact CG-CE2 3.84Å; F240-Y423 HydrophobicContact CG-CE2 3.84Å; F240-Y423 AromaticContact CG-CG 3.89Å; F240-Y423 HydrophobicContact CG-CG 3.89Å; F240-Y423 AromaticContact CG-CZ 3.91Å; F240-Y423 AromaticContact CZ-CD1 3.66Å; F240-Y423 HydrophobicContact CZ-CD1 3.66Å; F240-Y423 HydrophobicContact CZ-CE1 4.32Å; F240-Y423 AromaticContact CZ-CG 3.91Å; F240-Y423 HydrophobicContact CZ-CG 3.91Å; S246-Y423 PolarHBondContact N-OH 3.24Å; S246-Y423 VanDerWaalsContact N-OH 3.13Å; C413-Y423 HydrophobicContact CB-CD2 3.99Å; C413-Y423 HydrophobicContact CB-CE2 3.84Å; A414-Y423 HydrophobicContact CB-CE2 4.31Å; D419-Y423 WeakPolarHBondContact O-CB 3.44Å; D419-Y423 PolarHBondContact O-N 2.84Å; Y423-Q425 VanDerWaalsContact C-N 3.29Å; Y423-Q425 PolarHBondContact O-N 3.17Å; Y423-C426 WeakPolarHBondContact O-CA 3.38Å; Y423-C426 VanDerWaalsContact O-CB 3.29Å; Y423-C426 WeakPolarHBondContact O-CB 3.48Å; Y423-C426 PolarHBondContact O-N 3.37Å; Y423-L427 HydrophobicContact CD1-CD1 4.04Å; Y423-L427 HydrophobicContact CD1-CG 4.25Å; Y423-L427 HydrophobicContact CE1-CD1 3.45Å; Y423-L427 VanDerWaalsContact CE1-CD1 3.45Å; Y423-L427 HydrophobicContact CE1-CD2 4.23Å; Y423-L427 HydrophobicContact CE1-CG 3.87Å; Y423-L427 HydrophobicContact CE2-CD2 4.38Å; Y423-L427 PolarHBondContact O-N 3.27Å
424E98.3Very high94.6Very high89 Ų8949.8 Ų49.842%0.41625%0.252SS..Hα-helixtrans-60.8-38.2176.9-67.9-61.9146.300112.2S246 F420 K421 C426 L427 L428S246-E424 PolarHBondContact OG-OE1 3.31Å; F420-E424 WeakPolarHBondContact O-CG 3.45Å; F420-E424 PolarHBondContact O-N 3.49Å; K421-E424 PolarHBondContact O-N 2.85Å; E424-C426 VanDerWaalsContact C-N 3.33Å; E424-C426 PolarHBondContact O-N 2.8Å; E424-L427 PolarHBondContact O-N 2.87Å; E424-L428 WeakPolarHBondContact O-CG 3.37Å; E424-L428 PolarHBondContact O-N 2.68Å
425Q97.7Very high93.2Very high108 Ų10855.1 Ų55.151%0.50528%0.279SS..Hα-helixtrans-65-37173.3-70.3173.1-15.700112.4K421 R422 Y423 L428 K429K421-Q425 WeakPolarHBondContact O-CG 3.05Å; K421-Q425 PolarHBondContact O-N 3.42Å; K421-Q425 VanDerWaalsContact O-N 3.14Å; R422-Q425 WeakPolarHBondContact O-CB 3.44Å; R422-Q425 PolarHBondContact O-N 3.39Å; Y423-Q425 VanDerWaalsContact C-N 3.29Å; Y423-Q425 PolarHBondContact O-N 3.17Å; Q425-L428 PolarHBondContact O-N 3.49Å; Q425-K429 WeakPolarHBondContact O-CB 3.3Å; Q425-K429 PolarHBondContact O-N 2.91Å
426C97.9Very high91.4Very high8 Ų862.5 Ų62.55%0.05431%0.308CS..Hα-helixtrans-63.8-46.5174.4-179.70000111.1C413 E417 R422 Y423 E424 L428 K429 E430C413-C426 WeakPolarHBondContact CA-SG 3.29Å; C413-C426 HydrophobicContact CB-CB 3.76Å; C413-C426 WeakPolarHBondContact CB-SG 3.48Å; C413-C426 WeakPolarHBondContact SG-CB 3.24Å; C413-C426 PolarHBondContact SG-O 3.49Å; C413-C426 CovalentContact SG-SG 2.05Å; C413-C426 PolarHBondContact SG-SG 3.11Å; E417-C426 HydrophobicContact CG-CB 3.96Å; R422-C426 WeakPolarHBondContact O-CB 3.3Å; R422-C426 PolarHBondContact O-N 3.41Å; Y423-C426 WeakPolarHBondContact O-CA 3.38Å; Y423-C426 VanDerWaalsContact O-CB 3.29Å; Y423-C426 WeakPolarHBondContact O-CB 3.48Å; Y423-C426 PolarHBondContact O-N 3.37Å; E424-C426 VanDerWaalsContact C-N 3.33Å; E424-C426 PolarHBondContact O-N 2.8Å; C426-L428 VanDerWaalsContact C-N 3.26Å; C426-L428 PolarHBondContact O-N 3.42Å; C426-K429 PolarHBondContact O-N 3.12Å; C426-K429 VanDerWaalsContact O-N 3.08Å; C426-E430 WeakPolarHBondContact O-CB 3.28Å; C426-E430 PolarHBondContact O-N 3.33Å
427L98.1Very high89.4Confident23 Ų2363 Ų6312%0.1232%0.321CS..Hα-helixtrans-55.4-43.5178.1-67.8-176.6000111.6R245 V409 C413 Y423 E424 G431R245-L427 HydrophobicContact CG-CD1 3.89Å; R245-L427 HydrophobicContact CG-CD2 4.25Å; V409-L427 HydrophobicContact CG1-CD2 3.62Å; C413-L427 HydrophobicContact CB-CD2 3.96Å; C413-L427 PolarHBondContact SG-N 3.06Å; Y423-L427 HydrophobicContact CD1-CD1 4.04Å; Y423-L427 HydrophobicContact CD1-CG 4.25Å; Y423-L427 HydrophobicContact CE1-CD1 3.45Å; Y423-L427 VanDerWaalsContact CE1-CD1 3.45Å; Y423-L427 HydrophobicContact CE1-CD2 4.23Å; Y423-L427 HydrophobicContact CE1-CG 3.87Å; Y423-L427 HydrophobicContact CE2-CD2 4.38Å; Y423-L427 PolarHBondContact O-N 3.27Å; E424-L427 PolarHBondContact O-N 2.87Å; L427-G431 WeakPolarHBondContact O-CA 3.2Å; L427-G431 PolarHBondContact O-N 3.49Å
428L96.4Very high87.3Confident137 Ų13763.7 Ų63.772%0.71733%0.334SS*.Hα-helixtrans-64.5-45.1176.4-66.2174.7000112.2E424 Q425 C426 A432E424-L428 WeakPolarHBondContact O-CG 3.37Å; E424-L428 PolarHBondContact O-N 2.68Å; Q425-L428 PolarHBondContact O-N 3.49Å; C426-L428 VanDerWaalsContact C-N 3.26Å; C426-L428 PolarHBondContact O-N 3.42Å; L428-A432 WeakPolarHBondContact O-CB 3.32Å; L428-A432 PolarHBondContact O-N 2.95Å; L428-A432 VanDerWaalsContact O-N 3.15Å
429K94.8Very high84.8Confident139 Ų13968.5 Ų68.560%0.60436%0.359SS*.Hα-helixtrans-68.5-52.8-177.2-177.4-176.4173.9-170.50111.8Q425 C426 A432 V433Q425-K429 WeakPolarHBondContact O-CB 3.3Å; Q425-K429 PolarHBondContact O-N 2.91Å; C426-K429 PolarHBondContact O-N 3.12Å; C426-K429 VanDerWaalsContact O-N 3.08Å; K429-A432 PolarHBondContact O-N 3.22Å; K429-V433 WeakPolarHBondContact O-CG2 3.43Å; K429-V433 PolarHBondContact O-N 2.87Å
430E93.2Very high82.1Confident11 Ų1172.6 Ų72.65%0.05138%0.38CS..Hα-helixtrans-71.5-34.5-177.8-64.4-63157.200111.4R408 V409 V412 R416 C426 V433 S434R408-E430 IonicContact CZ-OE2 3.3Å; R408-E430 VanDerWaalsContact CZ-OE2 3.3Å; R408-E430 IonicContact NH1-OE2 2.94Å; R408-E430 PolarHBondContact NH1-OE2 3.25Å; R408-E430 IonicContact NH2-OE2 3.07Å; R408-E430 PolarHBondContact NH2-OE2 3.18Å; V409-E430 HydrophobicContact CG1-CB 4.31Å; V409-E430 HydrophobicContact CG2-CB 3.96Å; V412-E430 HydrophobicContact CG1-CG 4.44Å; R416-E430 IonicContact CZ-OE1 2.93Å; R416-E430 IonicContact NH1-OE1 3.8Å; R416-E430 PolarHBondContact NH1-OE1 3.35Å; C426-E430 WeakPolarHBondContact O-CB 3.28Å; C426-E430 PolarHBondContact O-N 3.33Å; E430-V433 PolarHBondContact O-N 2.89Å; E430-S434 PolarHBondContact O-N 3.46Å
431G88.7Confident79.5Confident19 Ų1976.8 Ų76.820%0.19640%0.403CS..Hα-helixtrans-61.7-41.9172.900000112.6L427 V433 S434 I435L427-G431 WeakPolarHBondContact O-CA 3.2Å; L427-G431 PolarHBondContact O-N 3.49Å; G431-V433 PolarHBondContact O-N 2.97Å; G431-S434 WeakPolarHBondContact O-CB 3.13Å; G431-S434 PolarHBondContact O-N 3.26Å; G431-I435 WeakPolarHBondContact O-CG1 3.42Å; G431-I435 PolarHBondContact O-N 3.41Å
432A84.5Confident77.1Confident38 Ų3874.3 Ų74.331%0.31440%0.4SS..Hα-helixtrans-62.9-42.1174.500000112L428 K429 S434 I435 Y436L428-A432 WeakPolarHBondContact O-CB 3.32Å; L428-A432 PolarHBondContact O-N 2.95Å; L428-A432 VanDerWaalsContact O-N 3.15Å; K429-A432 PolarHBondContact O-N 3.22Å; A432-S434 VanDerWaalsContact C-N 3.3Å; A432-S434 PolarHBondContact O-N 3.21Å; A432-I435 PolarHBondContact O-N 3.32Å; A432-Y436 HydrophobicContact CB-CD2 4.28Å; A432-Y436 PolarHBondContact O-N 2.93Å; A432-Y436 HydrophobicContact CB-CE2 4.36Å; A432-Y436 WeakPolarHBondContact O-CD2 3.47Å
433V78.8Confident74.6Confident78 Ų7874.9 Ų74.947%0.47341%0.412SS..Hα-helixtrans-60-41.7176.9172.40000111.2K429 E430 G431 I435 G437K429-V433 WeakPolarHBondContact O-CG2 3.43Å; K429-V433 PolarHBondContact O-N 2.87Å; E430-V433 PolarHBondContact O-N 2.89Å; G431-V433 PolarHBondContact O-N 2.97Å; V433-I435 PolarHBondContact O-N 3.04Å; V433-G437 PolarHBondContact O-N 3.44Å
434S74.6Confident72Confident45 Ų4578.1 Ų78.132%0.31544%0.435SS..Hα-helixtrans-60-43.4177.3-1660000112.2G405 E430 G431 A432G405-S434 WeakPolarHBondContact CA-OG 3.43Å; G405-S434 PolarHBondContact O-OG 2.93Å; E430-S434 PolarHBondContact O-N 3.46Å; G431-S434 WeakPolarHBondContact O-CB 3.13Å; G431-S434 PolarHBondContact O-N 3.26Å; A432-S434 VanDerWaalsContact C-N 3.3Å; A432-S434 PolarHBondContact O-N 3.21Å
435I69.6Low69.4Low111 Ų11180.6 Ų80.657%0.56945%0.448SS*.Hα-helixtrans-70.5-49179.9-63.3167.1000111.9G431 A432 V433 L439G431-I435 WeakPolarHBondContact O-CG1 3.42Å; G431-I435 PolarHBondContact O-N 3.41Å; A432-I435 PolarHBondContact O-N 3.32Å; V433-I435 PolarHBondContact O-N 3.04Å; I435-L439 PolarHBondContact O-N 3.03Å
436Y60.9Low67Low156 Ų15679.2 Ų79.261%0.61245%0.447SS*.Hα-helixtrans-79.6-29.1-173.5-69-67.6000113.5A432 G438 L439 L440A432-Y436 HydrophobicContact CB-CD2 4.28Å; A432-Y436 PolarHBondContact O-N 2.93Å; A432-Y436 HydrophobicContact CB-CE2 4.36Å; A432-Y436 WeakPolarHBondContact O-CD2 3.47Å; Y436-G438 VanDerWaalsContact C-N 3.34Å; Y436-L439 PolarHBondContact O-N 3.38Å; Y436-L440 PolarHBondContact O-N 3.21Å; Y436-L440 VanDerWaalsContact O-N 3.1Å
437G57.7Low64.4Low35 Ų3581.1 Ų81.136%0.36146%0.463SS..Hα-helixtrans-63.6-39.3172.400000112.2V433 L441V433-G437 PolarHBondContact O-N 3.44Å; G437-L441 PolarHBondContact O-N 3.15Å
438G53.7Low62Low36 Ų3684.1 Ų84.137%0.37148%0.483SS..Hα-helixtrans-65-39171.700000113Y436 L441 V442Y436-G438 VanDerWaalsContact C-N 3.34Å; G438-L441 PolarHBondContact O-N 3.46Å; G438-V442 WeakPolarHBondContact O-CG2 3.45Å; G438-V442 PolarHBondContact O-N 3.27Å
439L46.6Very low59.7Low104 Ų10482.9 Ų82.955%0.54548%0.48SS..Hα-helixtrans-67.2-38.5179.8-125.797.7000113.1I435 Y436 L441 V442 V443I435-L439 PolarHBondContact O-N 3.03Å; Y436-L439 PolarHBondContact O-N 3.38Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.38Å; L439-V443 PolarHBondContact O-N 3.29Å
440L40.6Very low57.3Low130 Ų13083.1 Ų83.168%0.68149%0.488SS*.Hα-helixtrans-64.7-34.9177.6-85.8157.4000112.5Y436 S444Y436-L440 PolarHBondContact O-N 3.21Å; Y436-L440 VanDerWaalsContact O-N 3.1Å; L440-S444 VanDerWaalsContact O-N 3.09Å; L440-S444 WeakPolarHBondContact O-CB 3.38Å; L440-S444 PolarHBondContact O-N 3.36Å
441L44.5Very low55.2Low123 Ų12389.4 Ų89.464%0.64452%0.52SS*.Hα-helixtrans-69.1-38.5174-78.3161.8000112.3G437 G438 L439 S444 M445G437-L441 PolarHBondContact O-N 3.15Å; G438-L441 PolarHBondContact O-N 3.46Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 3.41Å; L441-S444 PolarHBondContact O-N 3.1Å; L441-M445 PolarHBondContact O-N 3.02Å
442V46.2Very low53.2Low94 Ų9494.2 Ų94.257%0.5755%0.546SS*.Hα-helixtrans-69.1-37.2177.3176.30000111.9G438 L439 M445 T446G438-V442 WeakPolarHBondContact O-CG2 3.45Å; G438-V442 PolarHBondContact O-N 3.27Å; L439-V442 PolarHBondContact O-N 3.28Å; V442-M445 PolarHBondContact O-N 3.18Å; V442-T446 WeakPolarHBondContact O-CG2 3.29Å; V442-T446 PolarHBondContact O-N 3.07Å; V442-T446 VanDerWaalsContact O-N 3.07Å; V442-T446 PolarHBondContact O-OG1 3.49Å
443V45.2Very low51.4Low88 Ų8895.2 Ų95.253%0.53356%0.56SS.*Hα-helixtrans-69.2-36.1174.8176.60000111.4L439 T446 A447L439-V443 WeakPolarHBondContact O-CG2 3.38Å; L439-V443 PolarHBondContact O-N 3.29Å; V443-T446 WeakPolarHBondContact CA-OG1 3.41Å; V443-T446 PolarHBondContact O-OG1 2.71Å; V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 3.49Å; V443-A447 VanDerWaalsContact O-CB 3.29Å
444S43.2Very low49.5Very low68 Ų68107.1 Ų107.148%0.47660%0.596SS.*Hα-helixtrans-64-44.1173.6165.90000112.5L440 L441 T448L440-S444 VanDerWaalsContact O-N 3.09Å; L440-S444 WeakPolarHBondContact O-CB 3.38Å; L440-S444 PolarHBondContact O-N 3.36Å; L441-S444 PolarHBondContact O-N 3.1Å; S444-T448 PolarHBondContact O-N 3.09Å; S444-T448 PolarHBondContact O-OG1 3.49Å
445M44.6Very low48.2Very low141 Ų141110.2 Ų110.270%0.69561%0.61SS**Hα-helixtrans-69.9-37.4179.2-71.9-152.177.200112.9L441 V442 T448 V449L441-M445 PolarHBondContact O-N 3.02Å; V442-M445 PolarHBondContact O-N 3.18Å; M445-T448 PolarHBondContact O-N 3.01Å; M445-V449 PolarHBondContact O-N 2.85Å
446T46.8Very low47.1Very low79 Ų79110.2 Ų110.249%0.48561%0.613SS.*Hα-helixtrans-71.7-33.2176.749.60000113V442 V443 T448V442-T446 WeakPolarHBondContact O-CG2 3.29Å; V442-T446 PolarHBondContact O-N 3.07Å; V442-T446 VanDerWaalsContact O-N 3.07Å; V442-T446 PolarHBondContact O-OG1 3.49Å; V443-T446 WeakPolarHBondContact CA-OG1 3.41Å; V443-T446 PolarHBondContact O-OG1 2.71Å; T446-T448 VanDerWaalsContact C-N 3.31Å; T446-T448 PolarHBondContact O-N 3.17Å
447A44.5Very low46.4Very low48 Ų48107.6 Ų107.640%0.39761%0.613SS.*Hα-helixtrans-67.7-30.7172.500000112.8V443 I451V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 3.49Å; V443-A447 VanDerWaalsContact O-CB 3.29Å; A447-I451 WeakPolarHBondContact O-CD1 3.44Å; A447-I451 WeakPolarHBondContact O-CG1 3.43Å
448T46.4Very low45.7Very low86 Ų86111.9 Ų111.953%0.52863%0.627SS.*Hα-helixtrans-75.2-31.7-179.9-430000112.1S444 M445 T446 L450S444-T448 PolarHBondContact O-N 3.09Å; S444-T448 PolarHBondContact O-OG1 3.49Å; M445-T448 PolarHBondContact O-N 3.01Å; T446-T448 VanDerWaalsContact C-N 3.31Å; T446-T448 PolarHBondContact O-N 3.17Å; T448-L450 VanDerWaalsContact C-N 3.33Å; T448-L450 PolarHBondContact O-N 3.34Å
449V48Very low45.2Very low111 Ų111116.6 Ų116.667%0.67364%0.643SS**Hα-helixtrans-73.9-22.4177.2175.30000112.7M445M445-V449 PolarHBondContact O-N 2.85Å
450L45.7Very low45.1Very low144 Ų144117.5 Ų117.575%0.75465%0.65SS**THydrogen-bonded Turntrans-89-4.4179.2-76.1164.9000114.4T448T448-L450 VanDerWaalsContact C-N 3.33Å; T448-L450 PolarHBondContact O-N 3.34Å
451I47.6Very low45.4Very low143 Ų143116.6 Ų116.673%0.73365%0.648SS**THydrogen-bonded Turntrans-103.8-9.6-178.2-63.6172.6000112.8A447A447-I451 WeakPolarHBondContact O-CD1 3.44Å; A447-I451 WeakPolarHBondContact O-CG1 3.43Å
452T46.9Very low45.5Very low121 Ų121116.1 Ų116.174%0.74265%0.648SS**SBendtrans-102.123.5177.457.70000114.2
453G47Very low45.4Very low58 Ų58117.9 Ų117.960%0.59866%0.655SS**  trans-12045.5-178.800000114
454W39.2Very low45.4Very low328 Ų328120.6 Ų120.6100%1.24267%0.666SS**  trans-136.90164.5-84.267.9000110.1

Retrieved 454 of 454 residues in 146.7 ms (Link to these results)

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