A0A087X084_HUMAN Loading...

UDP glucuronosyltransferase family 2 member B7

AlphaFold DB , UniProt , Accession A0A087X084, Species HUMAN (Homo sapiens, Human), Gene UGT2B7, Length 335 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
1M56.6Low77.3Confident174 Ų174109 Ų10986%0.85757%0.57SS**  0133.30-85.4162.349.100108.6T6 I9M1-T6 HydrophobicContact CE-CG2 3.82Å; M1-I9 HydrophobicContact CE-CD1 3.6Å
2S71.5Confident77.5Confident71 Ų71106.8 Ų106.850%0.49756%0.558SS.*  trans-62.8142.7176.2149.70000110K4 W5 T6S2-K4 PolarHBondContact O-N 2.81Å; S2-K4 PolarHBondContact OG-N 3.18Å; S2-W5 WeakPolarHBondContact O-CB 3.44Å; S2-W5 PolarHBondContact O-N 3.42Å; S2-T6 PolarHBondContact O-N 2.97Å
3V72.3Confident77.7Confident115 Ų115108.2 Ų108.270%0.69756%0.559SS**Hα-helixtrans-49.7-29.3-179.5178.80000112.3T6 S7V3-T6 VanDerWaalsContact C-OG1 3.31Å; V3-T6 WeakPolarHBondContact CA-OG1 3.34Å; V3-T6 PolarHBondContact O-OG1 3.15Å; V3-S7 PolarHBondContact O-N 3.43Å; V3-S7 PolarHBondContact O-OG 3.47Å
4K74.6Confident77.4Confident168 Ų168105.9 Ų105.973%0.7355%0.548SS*.Hα-helixtrans-64.6-38.7175.2-67.9-175.8175.6-176.70113.2S2 S7 V8S2-K4 PolarHBondContact O-N 2.81Å; S2-K4 PolarHBondContact OG-N 3.18Å; K4-S7 PolarHBondContact O-N 3.12Å; K4-V8 VanDerWaalsContact O-CG2 3.29Å; K4-V8 WeakPolarHBondContact O-CG2 3.29Å; K4-V8 PolarHBondContact O-N 3.06Å; K4-V8 VanDerWaalsContact O-N 3.12Å
5W80.5Confident76.8Confident171 Ų171103.9 Ų103.965%0.64855%0.547SS*.Hα-helixtrans-72.5-36.8-180-76.890.4000112.2S2 V8 I9S2-W5 WeakPolarHBondContact O-CB 3.44Å; S2-W5 PolarHBondContact O-N 3.42Å; W5-V8 PolarHBondContact O-N 3.05Å; W5-I9 WeakPolarHBondContact O-CD1 3.26Å; W5-I9 VanDerWaalsContact O-CG1 3.26Å; W5-I9 WeakPolarHBondContact O-CG1 3.44Å; W5-I9 PolarHBondContact O-N 3.47Å
6T80.4Confident76.3Confident64 Ų64108.3 Ų108.339%0.39356%0.56SS.*Hα-helixtrans-63.8-41.217337.90000111.8M1 S2 V3 I9 L10M1-T6 HydrophobicContact CE-CG2 3.82Å; S2-T6 PolarHBondContact O-N 2.97Å; V3-T6 VanDerWaalsContact C-OG1 3.31Å; V3-T6 WeakPolarHBondContact CA-OG1 3.34Å; V3-T6 PolarHBondContact O-OG1 3.15Å; T6-I9 PolarHBondContact O-N 2.76Å; T6-L10 WeakPolarHBondContact O-CB 3.43Å; T6-L10 PolarHBondContact O-N 3.46Å
7S79.6Confident75.7Confident63 Ų63107.9 Ų107.944%0.44157%0.568SS.*Hα-helixtrans-66.2-37.9176.6-59.10000113.2V3 K4 L10 L11V3-S7 PolarHBondContact O-N 3.43Å; V3-S7 PolarHBondContact O-OG 3.47Å; K4-S7 PolarHBondContact O-N 3.12Å; S7-L10 PolarHBondContact O-N 2.97Å; S7-L11 PolarHBondContact O-N 2.87Å
8V84.9Confident74.8Confident73 Ų73110.1 Ų110.144%0.44257%0.572SS.*Hα-helixtrans-66.3-43.9176.8170.20000111.2K4 W5 L10 L11 I12K4-V8 VanDerWaalsContact O-CG2 3.29Å; K4-V8 WeakPolarHBondContact O-CG2 3.29Å; K4-V8 PolarHBondContact O-N 3.06Å; K4-V8 VanDerWaalsContact O-N 3.12Å; W5-V8 PolarHBondContact O-N 3.05Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 3.34Å; V8-L11 PolarHBondContact O-N 3.42Å; V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 VanDerWaalsContact O-CG1 3.27Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3.43Å
9I84.9Confident73.9Confident76 Ų76110.1 Ų110.139%0.3958%0.583SS.*Hα-helixtrans-63.9-38.2177.4-66.9164.5000110.8M1 W5 T6 I12 Q13M1-I9 HydrophobicContact CE-CD1 3.6Å; W5-I9 WeakPolarHBondContact O-CD1 3.26Å; W5-I9 VanDerWaalsContact O-CG1 3.26Å; W5-I9 WeakPolarHBondContact O-CG1 3.44Å; W5-I9 PolarHBondContact O-N 3.47Å; T6-I9 PolarHBondContact O-N 2.76Å; I9-I12 PolarHBondContact O-N 2.91Å; I9-Q13 WeakPolarHBondContact O-CG 3.31Å; I9-Q13 PolarHBondContact O-N 3.4Å
10L83.1Confident73Confident106 Ų106110 Ų11056%0.55559%0.591SS**Hα-helixtrans-67.8-40.1177.7-133.8133.8000112.3T6 S7 V8 Q13 L14T6-L10 WeakPolarHBondContact O-CB 3.43Å; T6-L10 PolarHBondContact O-N 3.46Å; S7-L10 PolarHBondContact O-N 2.97Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 3.34Å; L10-Q13 PolarHBondContact O-N 2.98Å; L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CD1 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.19Å
11L81.7Confident72.4Confident118 Ų118107.6 Ų107.662%0.61859%0.593SS**Hα-helixtrans-64.2-41.1173.5-86159.5000112.2S7 V8 L14 S15S7-L11 PolarHBondContact O-N 2.87Å; V8-L11 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.24Å; L11-S15 PolarHBondContact O-N 3.27Å; L11-S15 PolarHBondContact O-OG 2.92Å
12I80.4Confident72.9Confident83 Ų83106.8 Ų106.843%0.42659%0.592SS.*Hα-helixtrans-64.5-45.3176.1-69.7169.1000110.2V8 I9 L14 S15 F16V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 VanDerWaalsContact O-CG1 3.27Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3.43Å; I9-I12 PolarHBondContact O-N 2.91Å; I12-L14 PolarHBondContact O-N 2.89Å; I12-S15 VanDerWaalsContact CA-OG 3.31Å; I12-S15 WeakPolarHBondContact CA-OG 3.25Å; I12-S15 PolarHBondContact O-N 3.35Å; I12-S15 PolarHBondContact O-OG 3.47Å; I12-F16 HydrophobicContact CG2-CD2 3.8Å; I12-F16 HydrophobicContact CG2-CE2 3.44Å; I12-F16 VanDerWaalsContact CG2-CE2 3.44Å; I12-F16 WeakPolarHBondContact O-CD2 3.41Å; I12-F16 PolarHBondContact O-N 3.43Å; I12-F16 VanDerWaalsContact O-N 3.07Å
13Q79.6Confident73.5Confident124 Ų124106.8 Ų106.858%0.57959%0.591SS**Hα-helixtrans-61.5-41.9174.5-78-168.9-23.900112.3I9 L10 S15 F16 C17I9-Q13 WeakPolarHBondContact O-CG 3.31Å; I9-Q13 PolarHBondContact O-N 3.4Å; L10-Q13 PolarHBondContact O-N 2.98Å; Q13-S15 VanDerWaalsContact C-N 3.33Å; Q13-S15 PolarHBondContact O-N 3.07Å; Q13-F16 PolarHBondContact O-N 2.68Å; Q13-F16 VanDerWaalsContact O-N 3.11Å; Q13-C17 PolarHBondContact O-N 3.44Å; Q13-C17 PolarHBondContact O-SG 3.33Å
14L73.9Confident74.5Confident77 Ų77102.1 Ų102.140%0.40357%0.566SS.*Hα-helixtrans-61.4-40.6174.1-74.4161.4000111.3L10 L11 I12 F16 C17 F18L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CD1 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.24Å; I12-L14 PolarHBondContact O-N 2.89Å; L14-F16 VanDerWaalsContact C-N 3.25Å; L14-F16 PolarHBondContact O-N 3.09Å; L14-C17 CarbonylContact O-C 3.51Å; L14-C17 PolarHBondContact O-N 3.11Å; L14-C17 VanDerWaalsContact O-N 3.09Å; L14-F18 HydrophobicContact CB-CD2 4.35Å; L14-F18 HydrophobicContact CB-CE2 4.36Å; L14-F18 HydrophobicContact CD2-CE2 3.81Å; L14-F18 WeakPolarHBondContact O-CD2 3.08Å; L14-F18 PolarHBondContact O-N 2.86Å
15S68.7Low75.5Confident75 Ų7597.3 Ų97.352%0.52455%0.545SS..Hα-helixtrans-67.2-21.6174.957.10000114.4L11 I12 Q13 F18L11-S15 PolarHBondContact O-N 3.27Å; L11-S15 PolarHBondContact O-OG 2.92Å; I12-S15 VanDerWaalsContact CA-OG 3.31Å; I12-S15 WeakPolarHBondContact CA-OG 3.25Å; I12-S15 PolarHBondContact O-N 3.35Å; I12-S15 PolarHBondContact O-OG 3.47Å; Q13-S15 VanDerWaalsContact C-N 3.33Å; Q13-S15 PolarHBondContact O-N 3.07Å; S15-F18 VanDerWaalsContact O-O 3.06Å
16F68.4Low76.3Confident174 Ų17489.5 Ų89.576%0.76352%0.516SS*.Hα-helixtrans-85.5-24169.7-73.7-67.3000112.8I12 Q13 L14I12-F16 HydrophobicContact CG2-CD2 3.8Å; I12-F16 HydrophobicContact CG2-CE2 3.44Å; I12-F16 VanDerWaalsContact CG2-CE2 3.44Å; I12-F16 WeakPolarHBondContact O-CD2 3.41Å; I12-F16 PolarHBondContact O-N 3.43Å; I12-F16 VanDerWaalsContact O-N 3.07Å; Q13-F16 PolarHBondContact O-N 2.68Å; Q13-F16 VanDerWaalsContact O-N 3.11Å; L14-F16 VanDerWaalsContact C-N 3.25Å; L14-F16 PolarHBondContact O-N 3.09Å
17C66.3Low77.2Confident102 Ų10286.5 Ų86.569%0.68950%0.498SS*.Hα-helixtrans-80.4-26.9173-66.90000112.8Q13 L14Q13-C17 PolarHBondContact O-N 3.44Å; Q13-C17 PolarHBondContact O-SG 3.33Å; L14-C17 CarbonylContact O-C 3.51Å; L14-C17 PolarHBondContact O-N 3.11Å; L14-C17 VanDerWaalsContact O-N 3.09Å
18F59.9Low78Confident148 Ų14883.5 Ų83.565%0.64948%0.477SS*.SBendtrans-101.993.8172.4-64.1-69.5000109.3L14 S15 S20L14-F18 HydrophobicContact CB-CD2 4.35Å; L14-F18 HydrophobicContact CB-CE2 4.36Å; L14-F18 HydrophobicContact CD2-CE2 3.81Å; L14-F18 WeakPolarHBondContact O-CD2 3.08Å; L14-F18 PolarHBondContact O-N 2.86Å; S15-F18 VanDerWaalsContact O-O 3.06Å; F18-S20 PolarHBondContact O-N 3.15Å; F18-S20 VanDerWaalsContact O-N 3.15Å
19S56.5Low78.5Confident110 Ų11080.5 Ų80.577%0.76946%0.458SS*.  trans-55.3121.5159.8174.60000107.5G21S19-G21 VanDerWaalsContact C-N 3.32Å; S19-G21 PolarHBondContact O-N 2.86Å
20S57Low78.7Confident107 Ų10777.4 Ų77.475%0.74844%0.444SS*.  trans-59.2101.4164.753.30000106.9F18 N22F18-S20 PolarHBondContact O-N 3.15Å; F18-S20 VanDerWaalsContact O-N 3.15Å; S20-N22 PolarHBondContact O-N 3.14Å; S20-N22 VanDerWaalsContact O-N 3.08Å
21G59.1Low79.1Confident61 Ų6172.4 Ų72.463%0.62942%0.417SS*.  trans-60114.6173.500000107.5S19 C23S19-G21 VanDerWaalsContact C-N 3.32Å; S19-G21 PolarHBondContact O-N 2.86Å; G21-C23 PolarHBondContact O-N 3.08Å; G21-C23 VanDerWaalsContact O-N 3.14Å
22N66.9Low79.4Confident156 Ų15667.5 Ų67.583%0.83439%0.391SS*.  trans-78.8101.2177.6-140.221.5000107.1S20 G24S20-N22 PolarHBondContact O-N 3.14Å; S20-N22 VanDerWaalsContact O-N 3.08Å; N22-G24 PolarHBondContact O-N 3.16Å; N22-G24 VanDerWaalsContact O-N 3.16Å
23C85.6Confident79.9Confident71 Ų7164.3 Ų64.348%0.4837%0.374SS..  trans-76.2100.4178.8-65.50000109.9G21 G50G21-C23 PolarHBondContact O-N 3.08Å; G21-C23 VanDerWaalsContact O-N 3.14Å; C23-G50 WeakPolarHBondContact CB-O 3.32Å; C23-G50 VanDerWaalsContact SG-C 3.55Å; C23-G50 PolarHBondContact SG-O 3.43Å
24G93Very high80.3Confident17 Ų1760.5 Ų60.518%0.17536%0.361CS..  trans-72.4157.7172.900000113.8N22 H51 E52 D146N22-G24 PolarHBondContact O-N 3.16Å; N22-G24 VanDerWaalsContact O-N 3.16Å; G24-H51 PolarHBondContact N-ND1 3.46Å; G24-H51 WeakPolarHBondContact O-CA 3.24Å; G24-H51 WeakPolarHBondContact O-CB 2.97Å; G24-H51 PolarHBondContact O-ND1 3Å; G24-E52 PolarHBondContact O-N 2.99Å; G24-E52 VanDerWaalsContact O-N 3.1Å; G24-D146 WeakPolarHBondContact CA-OD2 3.18Å
25K95.9Very high81.2Confident68 Ų6858.9 Ų58.930%0.29635%0.351SS..EExtended strand (participates in β ladder)trans-95.7119.5172-61.4-170-179.8-172.30110.4E52 S143 F145 D146 V147K25-E52 CarbonylContact C-O 3.59Å; K25-E52 WeakPolarHBondContact CA-O 3.09Å; K25-E52 VanDerWaalsContact CE-OE2 3.29Å; K25-E52 WeakPolarHBondContact CE-OE2 3.42Å; K25-E52 HydrophobicContact CG-CB 4.16Å; K25-E52 IonicContact NZ-OE2 2.75Å; K25-S143 WeakPolarHBondContact CD-O 3.4Å; K25-S143 PolarHBondContact NZ-O 3.22Å; K25-F145 HydrophobicContact CB-CD1 3.84Å; K25-F145 HydrophobicContact CB-CE1 4.46Å; K25-D146 PolarHBondContact N-OD2 3.13Å; K25-D146 PolarHBondContact O-N 2.76Å; K25-V147 PolarHBondContact O-N 3.14Å
26V97.4Very high82.2Confident7 Ų756.2 Ų56.24%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-107.4122.8-176.4-175.50000109.6V28 L46 H51 E52 V53 T54 V147 F149V26-V28 HydrophobicContact CG1-CG2 4.15Å; V26-L46 HydrophobicContact CG1-CD1 4.4Å; V26-L46 HydrophobicContact CG2-CD1 4.32Å; V26-H51 HydrophobicContact CG2-CB 4.45Å; V26-E52 PolarHBondContact N-O 3.19Å; V26-V53 HydrophobicContact CB-CG2 4.33Å; V26-T54 PolarHBondContact O-N 2.87Å; V26-V147 WeakPolarHBondContact CA-O 3.07Å; V26-V147 HydrophobicContact CB-CG1 4.36Å; V26-V147 HydrophobicContact CG1-CG1 4.23Å; V26-V147 HydrophobicContact CG2-CG1 3.87Å; V26-F149 HydrophobicContact CG1-CB 3.93Å
27L97.9Very high83.2Confident1 Ų153.2 Ų53.21%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-92.3133.8169.8-172.961.2000109.3T54 L56 V140 F145 V147 I148 F149 F164L27-T54 CarbonylContact C-O 3.54Å; L27-T54 WeakPolarHBondContact CA-O 3.21Å; L27-L56 HydrophobicContact CD1-CD1 3.88Å; L27-L56 HydrophobicContact CD1-CD2 3.65Å; L27-L56 HydrophobicContact CD1-CG 3.51Å; L27-L56 HydrophobicContact CD2-CD1 4.07Å; L27-L56 HydrophobicContact CG-CD1 4.2Å; L27-L56 HydrophobicContact CG-CG 4.18Å; L27-V140 HydrophobicContact CD1-CG1 4.29Å; L27-V140 HydrophobicContact CD2-CG1 3.74Å; L27-F145 HydrophobicContact CB-CB 4.03Å; L27-F145 HydrophobicContact CB-CD1 3.82Å; L27-F145 HydrophobicContact CB-CD2 3.98Å; L27-F145 HydrophobicContact CB-CE1 4.29Å; L27-F145 HydrophobicContact CB-CE2 4.42Å; L27-F145 HydrophobicContact CB-CG 3.66Å; L27-F145 HydrophobicContact CD1-CD1 4.48Å; L27-F145 HydrophobicContact CD1-CD2 4.01Å; L27-F145 HydrophobicContact CD1-CE1 4.18Å; L27-F145 HydrophobicContact CD1-CE2 3.66Å; L27-F145 HydrophobicContact CD1-CG 4.41Å; L27-F145 HydrophobicContact CD1-CZ 3.77Å; L27-F145 HydrophobicContact CD2-CD2 4.08Å; L27-F145 HydrophobicContact CD2-CE2 4.44Å; L27-F145 HydrophobicContact CG-CD2 4.26Å; L27-F145 HydrophobicContact CG-CE2 4.4Å; L27-F145 HydrophobicContact CG-CG 4.44Å; L27-V147 PolarHBondContact N-O 2.86Å; L27-I148 HydrophobicContact CB-CG1 4.23Å; L27-I148 HydrophobicContact CD2-CD1 4.15Å; L27-I148 HydrophobicContact CD2-CG1 4.27Å; L27-I148 CarbonylContact O-C 3.47Å; L27-I148 VanDerWaalsContact O-CA 3.27Å; L27-I148 WeakPolarHBondContact O-CA 3.39Å; L27-F149 PolarHBondContact O-N 2.96Å; L27-F164 HydrophobicContact CD2-CE2 4.22Å
28V97Very high84.3Confident0 Ų050.3 Ų50.30%030%0.297CS..EExtended strand (participates in β ladder)trans-120.3127.3-179.1-172.50000110.1V26 I39 L43 V53 T54 V55 L56 F149V26-V28 HydrophobicContact CG1-CG2 4.15Å; V28-I39 HydrophobicContact CG1-CG2 3.9Å; V28-L43 HydrophobicContact CB-CD1 4.45Å; V28-L43 HydrophobicContact CG1-CD1 4.14Å; V28-L43 HydrophobicContact CG1-CD2 4.42Å; V28-L43 HydrophobicContact CG2-CD1 3.95Å; V28-L43 HydrophobicContact CG2-CD2 3.51Å; V28-L43 HydrophobicContact CG2-CG 4.37Å; V28-V53 HydrophobicContact CG2-CG1 3.75Å; V28-T54 PolarHBondContact N-O 3.08Å; V28-V55 HydrophobicContact CB-CB 4.46Å; V28-V55 HydrophobicContact CB-CG1 4.42Å; V28-V55 HydrophobicContact CB-CG2 4.17Å; V28-V55 HydrophobicContact CG2-CG2 4.45Å; V28-L56 PolarHBondContact O-N 2.81Å; V28-F149 WeakPolarHBondContact CA-O 3.41Å
29W94.4Very high85.8Confident9 Ų943.3 Ų43.33%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-81.6117167.9-172.9-111.5000109.1A31 L56 Y77 F126 V130 F149 A150 F154 C156 L160W29-A31 PolarHBondContact O-N 3.03Å; W29-L56 HydrophobicContact CE3-CB 4.27Å; W29-L56 HydrophobicContact CE3-CD1 4.4Å; W29-Y77 HydrophobicContact CH2-CE1 4.26Å; W29-Y77 HydrophobicContact CZ3-CE1 4.19Å; W29-F126 HydrophobicContact CZ2-CB 4.49Å; W29-V130 HydrophobicContact CH2-CB 4.48Å; W29-V130 HydrophobicContact CH2-CG2 3.89Å; W29-V130 HydrophobicContact CZ3-CG2 3.97Å; W29-F149 PolarHBondContact N-O 3.39Å; W29-A150 HydrophobicContact CB-CB 4.23Å; W29-F154 PolarHBondContact NE1-O 2.74Å; W29-C156 HydrophobicContact CD2-CB 4.05Å; W29-C156 HydrophobicContact CE3-CB 4.38Å; W29-C156 HydrophobicContact CH2-CB 3.87Å; W29-C156 HydrophobicContact CZ2-CB 3.47Å; W29-C156 VanDerWaalsContact CZ2-CB 3.47Å; W29-C156 HydrophobicContact CZ3-CB 4.3Å; W29-L160 HydrophobicContact CE3-CD1 3.93Å; W29-L160 HydrophobicContact CZ3-CD1 4.07Å
30A90.4Very high87.4Confident12 Ų1241.3 Ų41.310%0.09924%0.244CC..  trans-62.6137.5-174.200000112.3V55 L56 A57 F64A30-V55 HydrophobicContact CB-CG1 3.98Å; A30-L56 WeakPolarHBondContact CB-O 3.29Å; A30-L56 PolarHBondContact N-O 3.04Å; A30-A57 HydrophobicContact CB-CB 4.12Å; A30-F64 HydrophobicContact CB-CE2 3.77Å; A30-F64 HydrophobicContact CB-CZ 3.62Å
31A90.8Very high89Confident0 Ų037.8 Ų37.80%022%0.218CC..  trans-107.5178.2165.700000109.8W29 H35 I39 D151 F154W29-A31 PolarHBondContact O-N 3.03Å; A31-H35 HydrophobicContact CB-CB 3.67Å; A31-I39 HydrophobicContact CB-CD1 3.79Å; A31-D151 HydrophobicContact CB-CB 4.48Å; A31-F154 HydrophobicContact CB-CD2 3.94Å; A31-F154 HydrophobicContact CB-CE2 3.83Å; A31-F154 HydrophobicContact CB-CG 4.42Å; A31-F154 HydrophobicContact CB-CZ 4.2Å
32E89.2Confident90.6Very high16 Ų1636.2 Ų36.28%0.07520%0.195CC..  trans-121.7161.9177.6-60.9-68.2167.300111.2S34 H35 W36 S61 I62E32-S34 PolarHBondContact O-N 3.21Å; E32-H35 WeakPolarHBondContact O-CB 3.27Å; E32-H35 PolarHBondContact O-N 3.26Å; E32-W36 PolarHBondContact O-N 2.73Å; E32-S61 VanDerWaalsContact OE1-CA 3.23Å; E32-S61 WeakPolarHBondContact OE1-CA 3.44Å; E32-S61 WeakPolarHBondContact OE1-CB 3.49Å; E32-S61 PolarHBondContact OE1-OG 3.31Å; E32-I62 PolarHBondContact OE1-N 2.66Å; E32-I62 PolarHBondContact OE2-N 2.98Å
33Y89.3Confident91.9Very high16 Ų1628.8 Ų28.86%0.06316%0.155CC..Hα-helixtrans49.1-130.4175.6-62.4-81.2000114.6H35 W36 M37 I62 I90 M91 S311 M312Y33-H35 PolarHBondContact O-N 3.28Å; Y33-W36 WeakPolarHBondContact O-CB 3.37Å; Y33-W36 PolarHBondContact O-N 2.83Å; Y33-W36 VanDerWaalsContact O-N 3.13Å; Y33-M37 WeakPolarHBondContact O-CG 3.43Å; Y33-M37 PolarHBondContact O-N 3.46Å; Y33-I62 HydrophobicContact CE2-CD1 3.9Å; Y33-I62 WeakPolarHBondContact OH-CD1 3.18Å; Y33-I90 HydrophobicContact CD2-CG2 4.25Å; Y33-I90 HydrophobicContact CE2-CB 4.39Å; Y33-I90 HydrophobicContact CE2-CD1 3.94Å; Y33-I90 HydrophobicContact CE2-CG2 3.61Å; Y33-M91 HydrophobicContact CE1-CE 3.85Å; Y33-M91 HydrophobicContact CE2-CE 4.47Å; Y33-M91 WeakPolarHBondContact OH-CE 2.81Å; Y33-S311 WeakPolarHBondContact CD1-O 3.44Å; Y33-M312 HydrophobicContact CD1-CG 3.65Å; Y33-M312 HydrophobicContact CD2-CE 3.84Å; Y33-M312 HydrophobicContact CD2-CG 4.4Å; Y33-M312 HydrophobicContact CE1-CG 4.24Å; Y33-M312 HydrophobicContact CG-CE 3.69Å; Y33-M312 HydrophobicContact CG-CG 3.74Å
34S88.7Confident92.1Very high43 Ų4328.2 Ų28.230%0.30115%0.147SC..Hα-helixtrans-61.3-31.8-176.456.80000112.8E32 M37 N38E32-S34 PolarHBondContact O-N 3.21Å; S34-M37 PolarHBondContact O-N 3.29Å; S34-N38 PolarHBondContact O-N 2.96Å; S34-N38 VanDerWaalsContact O-N 3.12Å; S34-N38 PolarHBondContact O-ND2 2.93Å
35H91.9Very high92.1Very high43 Ų4330.4 Ų30.420%0.19915%0.153CC..Hα-helixtrans-64.9-43.9175.5-71.5-107000110.6A31 E32 Y33 M37 N38 I39 D151 F154 R259A31-H35 HydrophobicContact CB-CB 3.67Å; E32-H35 WeakPolarHBondContact O-CB 3.27Å; E32-H35 PolarHBondContact O-N 3.26Å; Y33-H35 PolarHBondContact O-N 3.28Å; H35-M37 PolarHBondContact O-N 3.39Å; H35-N38 PolarHBondContact O-N 3.49Å; H35-I39 PolarHBondContact O-N 2.78Å; H35-D151 IonicContact CE1-OD1 3.56Å; H35-D151 IonicContact CE1-OD2 3.13Å; H35-D151 IonicContact CG-OD2 2.63Å; H35-D151 VanDerWaalsContact ND1-CG 3.29Å; H35-D151 IonicContact ND1-OD1 2.63Å; H35-D151 PolarHBondContact ND1-OD1 3.1Å; H35-D151 IonicContact ND1-OD2 2.72Å; H35-D151 PolarHBondContact ND1-OD2 2.99Å; H35-F154 HydrophobicContact CB-CE2 3.89Å; H35-F154 AromaticContact CG-CE2 3.77Å; H35-F154 AromaticContact ND1-CE2 3.85Å; H35-R259 PolarHBondContact ND1-NH2 2.82Å
36W90.8Very high92Very high20 Ų2029 Ų298%0.07615%0.148CC..Hα-helixtrans-61.4-44173.7179.2-118.1000112.4E32 Y33 N38 I39 K40 L43 V55 L63 F64 L72E32-W36 PolarHBondContact O-N 2.73Å; Y33-W36 WeakPolarHBondContact O-CB 3.37Å; Y33-W36 PolarHBondContact O-N 2.83Å; Y33-W36 VanDerWaalsContact O-N 3.13Å; W36-N38 VanDerWaalsContact C-N 3.27Å; W36-N38 PolarHBondContact O-N 3.47Å; W36-I39 HydrophobicContact CE3-CB 4.42Å; W36-I39 HydrophobicContact CE3-CG2 4.15Å; W36-I39 HydrophobicContact CZ3-CG2 3.89Å; W36-I39 PolarHBondContact O-N 3.1Å; W36-K40 HydrophobicContact CZ2-CB 4.34Å; W36-K40 HydrophobicContact CZ2-CG 4.41Å; W36-K40 VanDerWaalsContact O-CB 3.24Å; W36-K40 WeakPolarHBondContact O-CB 3.46Å; W36-K40 PolarHBondContact O-N 3.36Å; W36-L43 HydrophobicContact CH2-CD1 3.7Å; W36-L43 HydrophobicContact CZ3-CD1 4Å; W36-V55 HydrophobicContact CH2-CB 4.48Å; W36-V55 HydrophobicContact CH2-CG1 3.9Å; W36-V55 HydrophobicContact CH2-CG2 3.8Å; W36-V55 HydrophobicContact CZ3-CG1 3.94Å; W36-V55 HydrophobicContact CZ3-CG2 4.41Å; W36-L63 HydrophobicContact CB-CD1 3.92Å; W36-L63 HydrophobicContact CG-CD1 4.1Å; W36-F64 AromaticContact CD2-CE1 3.99Å; W36-F64 HydrophobicContact CD2-CE1 3.99Å; W36-F64 HydrophobicContact CD2-CE2 4.48Å; W36-F64 AromaticContact CD2-CZ 3.59Å; W36-F64 HydrophobicContact CD2-CZ 3.59Å; W36-F64 AromaticContact CE2-CE1 3.54Å; W36-F64 AromaticContact CE2-CZ 3.65Å; W36-F64 HydrophobicContact CE3-CE1 4.12Å; W36-F64 AromaticContact CE3-CZ 3.6Å; W36-F64 HydrophobicContact CE3-CZ 3.6Å; W36-F64 HydrophobicContact CG-CZ 4.32Å; W36-F64 AromaticContact CH2-CE1 3.5Å; W36-F64 HydrophobicContact CH2-CE1 3.5Å; W36-F64 VanDerWaalsContact CH2-CE1 3.5Å; W36-F64 AromaticContact CH2-CZ 3.85Å; W36-F64 HydrophobicContact CH2-CZ 3.85Å; W36-F64 HydrophobicContact CZ2-CD1 4.27Å; W36-F64 AromaticContact CZ2-CE1 3.3Å; W36-F64 HydrophobicContact CZ2-CE1 3.3Å; W36-F64 AromaticContact CZ2-CZ 3.8Å; W36-F64 HydrophobicContact CZ2-CZ 3.8Å; W36-F64 AromaticContact CZ3-CE1 3.89Å; W36-F64 HydrophobicContact CZ3-CE1 3.89Å; W36-F64 AromaticContact CZ3-CZ 3.72Å; W36-F64 HydrophobicContact CZ3-CZ 3.72Å; W36-L72 HydrophobicContact CH2-CD1 4.29Å; W36-L72 HydrophobicContact CZ2-CD1 4Å
37M88.8Confident91.7Very high110 Ų11030.9 Ų30.954%0.54216%0.158SC..Hα-helixtrans-58.4-39.4178.5-66174.468.800112.5Y33 S34 H35 T41Y33-M37 WeakPolarHBondContact O-CG 3.43Å; Y33-M37 PolarHBondContact O-N 3.46Å; S34-M37 PolarHBondContact O-N 3.29Å; H35-M37 PolarHBondContact O-N 3.39Å; M37-T41 PolarHBondContact O-N 3.42Å; M37-T41 PolarHBondContact O-OG1 3.17Å
38N89.3Confident91.4Very high42 Ų4238.1 Ų38.123%0.22519%0.191CC..Hα-helixtrans-68-50.4176.3-78.7-75.9000111.7S34 H35 W36 K40 T41S34-N38 PolarHBondContact O-N 2.96Å; S34-N38 VanDerWaalsContact O-N 3.12Å; S34-N38 PolarHBondContact O-ND2 2.93Å; H35-N38 PolarHBondContact O-N 3.49Å; W36-N38 VanDerWaalsContact C-N 3.27Å; W36-N38 PolarHBondContact O-N 3.47Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.21Å; N38-T41 WeakPolarHBondContact O-CB 3.4Å; N38-T41 PolarHBondContact O-N 3.06Å
39I91.6Very high91.1Very high0 Ų045.8 Ų45.80%022%0.22CC..Hα-helixtrans-56.4-49.6177-77.1166.1000110.3V28 A31 H35 W36 T41 I42 L43 F149 D151V28-I39 HydrophobicContact CG1-CG2 3.9Å; A31-I39 HydrophobicContact CB-CD1 3.79Å; H35-I39 PolarHBondContact O-N 2.78Å; W36-I39 HydrophobicContact CE3-CB 4.42Å; W36-I39 HydrophobicContact CE3-CG2 4.15Å; W36-I39 HydrophobicContact CZ3-CG2 3.89Å; W36-I39 PolarHBondContact O-N 3.1Å; I39-T41 PolarHBondContact O-N 2.94Å; I39-T41 VanDerWaalsContact O-N 3.12Å; I39-I42 WeakPolarHBondContact O-CA 3.34Å; I39-I42 WeakPolarHBondContact O-CB 3.38Å; I39-I42 PolarHBondContact O-N 3.29Å; I39-L43 HydrophobicContact CG2-CD1 3.76Å; I39-L43 HydrophobicContact CG2-CD2 4.15Å; I39-L43 HydrophobicContact CG2-CG 3.79Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 2.93Å; I39-F149 HydrophobicContact CB-CE1 4.28Å; I39-F149 HydrophobicContact CG1-CE1 4Å; I39-F149 HydrophobicContact CG2-CD1 4.19Å; I39-F149 HydrophobicContact CG2-CE1 3.94Å; I39-D151 HydrophobicContact CD1-CB 3.75Å
40K90.6Very high90.9Very high69 Ų6947.3 Ų47.330%0.324%0.238SC..Hα-helixtrans-54.4-36.6-177.5-172.2-171.4-179.6-52.30112.2W36 N38 I42 L43 D44 L72W36-K40 HydrophobicContact CZ2-CB 4.34Å; W36-K40 HydrophobicContact CZ2-CG 4.41Å; W36-K40 VanDerWaalsContact O-CB 3.24Å; W36-K40 WeakPolarHBondContact O-CB 3.46Å; W36-K40 PolarHBondContact O-N 3.36Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.21Å; K40-I42 VanDerWaalsContact C-N 3.3Å; K40-I42 PolarHBondContact O-N 2.9Å; K40-L43 PolarHBondContact O-N 3.33Å; K40-D44 IonicContact NZ-OD1 2.83Å; K40-D44 PolarHBondContact NZ-OD1 2.74Å; K40-D44 IonicContact NZ-OD2 3.78Å; K40-D44 PolarHBondContact NZ-OD2 3.42Å; K40-D44 WeakPolarHBondContact O-CB 3.41Å; K40-D44 VanDerWaalsContact O-CG 3.24Å; K40-D44 PolarHBondContact O-N 3.48Å; K40-L72 HydrophobicContact CG-CD1 4.35Å
41T90.5Very high91.1Very high33 Ų3349 Ų4920%0.20225%0.245CC..Hα-helixtrans-62.7-38.8178.5-56.80000112M37 N38 I39 L280M37-T41 PolarHBondContact O-N 3.42Å; M37-T41 PolarHBondContact O-OG1 3.17Å; N38-T41 WeakPolarHBondContact O-CB 3.4Å; N38-T41 PolarHBondContact O-N 3.06Å; I39-T41 PolarHBondContact O-N 2.94Å; I39-T41 VanDerWaalsContact O-N 3.12Å; T41-L280 HydrophobicContact CG2-CB 4.19Å; T41-L280 WeakPolarHBondContact CG2-O 3.31Å
42I92.8Very high91.2Very high27 Ų2752.6 Ų52.614%0.13826%0.261CS..Hα-helixtrans-70.6-41.5173.9-64.7167.6000110.3I39 K40 D44 E45 L46 F149 L257 L280I39-I42 WeakPolarHBondContact O-CA 3.34Å; I39-I42 WeakPolarHBondContact O-CB 3.38Å; I39-I42 PolarHBondContact O-N 3.29Å; K40-I42 VanDerWaalsContact C-N 3.3Å; K40-I42 PolarHBondContact O-N 2.9Å; I42-D44 PolarHBondContact O-N 3.36Å; I42-E45 PolarHBondContact O-N 3.47Å; I42-L46 HydrophobicContact CG2-CD1 4.12Å; I42-L46 HydrophobicContact CG2-CG 4.42Å; I42-L46 WeakPolarHBondContact O-CG 3.29Å; I42-L46 PolarHBondContact O-N 3.1Å; I42-F149 HydrophobicContact CB-CE1 4.14Å; I42-F149 HydrophobicContact CB-CZ 4.35Å; I42-F149 HydrophobicContact CD1-CE1 4.09Å; I42-F149 HydrophobicContact CD1-CE2 4.46Å; I42-F149 HydrophobicContact CD1-CZ 3.52Å; I42-F149 HydrophobicContact CG2-CE1 4.04Å; I42-F149 HydrophobicContact CG2-CZ 4.14Å; I42-L257 HydrophobicContact CD1-CD1 4.42Å; I42-L280 HydrophobicContact CD1-CD1 3.76Å; I42-L280 HydrophobicContact CD1-CD2 4.18Å; I42-L280 HydrophobicContact CG1-CD1 4.05Å; I42-L280 HydrophobicContact CG1-CD2 3.77Å
43L93.4Very high91.5Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-63.7-42180-56.4-171.9000113V28 W36 I39 K40 E45 L46 I47 V53 V55 L72 F149V28-L43 HydrophobicContact CB-CD1 4.45Å; V28-L43 HydrophobicContact CG1-CD1 4.14Å; V28-L43 HydrophobicContact CG1-CD2 4.42Å; V28-L43 HydrophobicContact CG2-CD1 3.95Å; V28-L43 HydrophobicContact CG2-CD2 3.51Å; V28-L43 HydrophobicContact CG2-CG 4.37Å; W36-L43 HydrophobicContact CH2-CD1 3.7Å; W36-L43 HydrophobicContact CZ3-CD1 4Å; I39-L43 HydrophobicContact CG2-CD1 3.76Å; I39-L43 HydrophobicContact CG2-CD2 4.15Å; I39-L43 HydrophobicContact CG2-CG 3.79Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 2.93Å; K40-L43 PolarHBondContact O-N 3.33Å; L43-E45 PolarHBondContact O-N 2.59Å; L43-L46 HydrophobicContact CD2-CD1 4.25Å; L43-L46 PolarHBondContact O-N 3.06Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.42Å; L43-V53 HydrophobicContact CB-CG1 4.26Å; L43-V53 HydrophobicContact CD1-CG1 4.01Å; L43-V53 HydrophobicContact CD2-CG1 3.96Å; L43-V53 HydrophobicContact CG-CG1 4.28Å; L43-V55 HydrophobicContact CD1-CG2 4.02Å; L43-L72 HydrophobicContact CB-CD2 3.88Å; L43-L72 HydrophobicContact CD1-CD2 3.86Å; L43-F149 HydrophobicContact CD2-CD1 3.85Å; L43-F149 HydrophobicContact CD2-CE1 4.38Å
44D91.4Very high91.8Very high59 Ų5951.4 Ų51.432%0.31626%0.257SS..Hα-helixtrans-57.9-40.9177.5-72.2-16.2000110.3K40 I42 I47 Q48K40-D44 IonicContact NZ-OD1 2.83Å; K40-D44 PolarHBondContact NZ-OD1 2.74Å; K40-D44 IonicContact NZ-OD2 3.78Å; K40-D44 PolarHBondContact NZ-OD2 3.42Å; K40-D44 WeakPolarHBondContact O-CB 3.41Å; K40-D44 VanDerWaalsContact O-CG 3.24Å; K40-D44 PolarHBondContact O-N 3.48Å; I42-D44 PolarHBondContact O-N 3.36Å; D44-I47 PolarHBondContact O-N 2.89Å; D44-Q48 WeakPolarHBondContact O-CB 3.41Å; D44-Q48 PolarHBondContact O-N 3.09Å
45E91.6Very high92Very high64 Ų6449.4 Ų49.430%0.29924%0.242SC..Hα-helixtrans-71.8-37.9178.1-174.167.3-154.300112.3I42 L43 Q48 R49I42-E45 PolarHBondContact O-N 3.47Å; L43-E45 PolarHBondContact O-N 2.59Å; E45-Q48 PolarHBondContact O-N 2.83Å; E45-R49 WeakPolarHBondContact O-CG 3.38Å; E45-R49 PolarHBondContact O-N 3.21Å; E45-R49 IonicContact OE1-CZ 3.83Å; E45-R49 IonicContact OE1-NE 3.82Å; E45-R49 IonicContact OE1-NH1 3.6Å; E45-R49 PolarHBondContact OE1-NH1 2.98Å; E45-R49 VanDerWaalsContact OE1-NH1 3.09Å; E45-R49 IonicContact OE1-NH2 3.04Å; E45-R49 PolarHBondContact OE1-NH2 2.96Å
46L93.5Very high92.2Very high38 Ų3847.4 Ų47.420%0.19923%0.233CC..Hα-helixtrans-61.2-44.3172.8-72.4171.1000111.3V26 I42 L43 R49 G50 H51 V53V26-L46 HydrophobicContact CG1-CD1 4.4Å; V26-L46 HydrophobicContact CG2-CD1 4.32Å; I42-L46 HydrophobicContact CG2-CD1 4.12Å; I42-L46 HydrophobicContact CG2-CG 4.42Å; I42-L46 WeakPolarHBondContact O-CG 3.29Å; I42-L46 PolarHBondContact O-N 3.1Å; L43-L46 HydrophobicContact CD2-CD1 4.25Å; L43-L46 PolarHBondContact O-N 3.06Å; L46-R49 CarbonylContact O-C 3.5Å; L46-R49 PolarHBondContact O-N 3.27Å; L46-G50 PolarHBondContact O-N 3.15Å; L46-H51 HydrophobicContact CB-CB 4.18Å; L46-H51 WeakPolarHBondContact O-CB 3.36Å; L46-H51 PolarHBondContact O-CD2 2.86Å; L46-H51 VanDerWaalsContact O-CD2 3.26Å; L46-H51 PolarHBondContact O-N 3.35Å; L46-V53 HydrophobicContact CB-CG2 4.02Å
47I92Very high92.3Very high46 Ų4646.5 Ų46.524%0.23623%0.23CC..Hα-helixtrans-61.5-44.9174.7-70.1164.4000110.6L43 D44 R49 G50 V53 A71 L72L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.42Å; D44-I47 PolarHBondContact O-N 2.89Å; I47-R49 PolarHBondContact O-N 3.49Å; I47-G50 WeakPolarHBondContact O-CA 3.24Å; I47-G50 PolarHBondContact O-N 2.79Å; I47-V53 HydrophobicContact CD1-CB 4.31Å; I47-V53 HydrophobicContact CD1-CG2 4.45Å; I47-V53 HydrophobicContact CG1-CB 4.06Å; I47-V53 HydrophobicContact CG1-CG2 3.78Å; I47-A71 HydrophobicContact CD1-CB 4.31Å; I47-A71 HydrophobicContact CG2-CB 4.26Å; I47-L72 HydrophobicContact CD1-CD2 3.44Å; I47-L72 VanDerWaalsContact CD1-CD2 3.44Å; I47-L72 HydrophobicContact CD1-CG 3.93Å
48Q90.8Very high92.5Very high153 Ų15341.5 Ų41.572%0.71521%0.206SC*.Hα-helixtrans-60.5-32.8178.1-176.4175-7.100112.3D44 E45 G50D44-Q48 WeakPolarHBondContact O-CB 3.41Å; D44-Q48 PolarHBondContact O-N 3.09Å; E45-Q48 PolarHBondContact O-N 2.83Å; Q48-G50 PolarHBondContact O-N 2.97Å
49R91.5Very high92.6Very high162 Ų16242.4 Ų42.461%0.61122%0.216SC*.THydrogen-bonded Turntrans-800.4173-70.4-174.9172.2103.421.3114.2E45 L46 I47E45-R49 WeakPolarHBondContact O-CG 3.38Å; E45-R49 PolarHBondContact O-N 3.21Å; E45-R49 IonicContact OE1-CZ 3.83Å; E45-R49 IonicContact OE1-NE 3.82Å; E45-R49 IonicContact OE1-NH1 3.6Å; E45-R49 PolarHBondContact OE1-NH1 2.98Å; E45-R49 VanDerWaalsContact OE1-NH1 3.09Å; E45-R49 IonicContact OE1-NH2 3.04Å; E45-R49 PolarHBondContact OE1-NH2 2.96Å; L46-R49 CarbonylContact O-C 3.5Å; L46-R49 PolarHBondContact O-N 3.27Å; I47-R49 PolarHBondContact O-N 3.49Å
50G90.9Very high92.6Very high40 Ų4042.4 Ų42.441%0.41222%0.216SC..THydrogen-bonded Turntrans94.35.617300000115.4C23 L46 I47 Q48C23-G50 WeakPolarHBondContact CB-O 3.32Å; C23-G50 VanDerWaalsContact SG-C 3.55Å; C23-G50 PolarHBondContact SG-O 3.43Å; L46-G50 PolarHBondContact O-N 3.15Å; I47-G50 WeakPolarHBondContact O-CA 3.24Å; I47-G50 PolarHBondContact O-N 2.79Å; Q48-G50 PolarHBondContact O-N 2.97Å
51H93.6Very high92.6Very high49 Ų4939.6 Ų39.623%0.22721%0.205CC..  trans-70.8144.4177.4-63.1-75.4000111.9G24 V26 L46 V53G24-H51 PolarHBondContact N-ND1 3.46Å; G24-H51 WeakPolarHBondContact O-CA 3.24Å; G24-H51 WeakPolarHBondContact O-CB 2.97Å; G24-H51 PolarHBondContact O-ND1 3Å; V26-H51 HydrophobicContact CG2-CB 4.45Å; L46-H51 HydrophobicContact CB-CB 4.18Å; L46-H51 WeakPolarHBondContact O-CB 3.36Å; L46-H51 PolarHBondContact O-CD2 2.86Å; L46-H51 VanDerWaalsContact O-CD2 3.26Å; L46-H51 PolarHBondContact O-N 3.35Å; H51-V53 PolarHBondContact O-N 2.73Å
52E94.1Very high92.2Very high75 Ų7538.9 Ų38.935%0.3520%0.199SC..EExtended strand (participates in β ladder)trans-84.4111.7172-175.2-175.7168.600108.8G24 K25 V26 K73G24-E52 PolarHBondContact O-N 2.99Å; G24-E52 VanDerWaalsContact O-N 3.1Å; K25-E52 CarbonylContact C-O 3.59Å; K25-E52 WeakPolarHBondContact CA-O 3.09Å; K25-E52 VanDerWaalsContact CE-OE2 3.29Å; K25-E52 WeakPolarHBondContact CE-OE2 3.42Å; K25-E52 HydrophobicContact CG-CB 4.16Å; K25-E52 IonicContact NZ-OE2 2.75Å; V26-E52 PolarHBondContact N-O 3.19Å; E52-K73 IonicContact OE1-NZ 3.6Å; E52-K73 PolarHBondContact OE1-NZ 2.87Å
53V94.6Very high91.5Very high6 Ų641 Ų414%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-103.8123.4179.7179.50000110.1V26 V28 L43 L46 I47 H51 V55 L72 K73V26-V53 HydrophobicContact CB-CG2 4.33Å; V28-V53 HydrophobicContact CG2-CG1 3.75Å; L43-V53 HydrophobicContact CB-CG1 4.26Å; L43-V53 HydrophobicContact CD1-CG1 4.01Å; L43-V53 HydrophobicContact CD2-CG1 3.96Å; L43-V53 HydrophobicContact CG-CG1 4.28Å; L46-V53 HydrophobicContact CB-CG2 4.02Å; I47-V53 HydrophobicContact CD1-CB 4.31Å; I47-V53 HydrophobicContact CD1-CG2 4.45Å; I47-V53 HydrophobicContact CG1-CB 4.06Å; I47-V53 HydrophobicContact CG1-CG2 3.78Å; H51-V53 PolarHBondContact O-N 2.73Å; V53-V55 HydrophobicContact CG1-CG2 4.41Å; V53-L72 HydrophobicContact CB-CD2 4.23Å; V53-L72 HydrophobicContact CG1-CD2 3.77Å; V53-K73 PolarHBondContact O-N 3.48Å
54T95Very high90.4Very high1 Ų142 Ų421%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-118.5125.2172.5-58.30000110.8V26 L27 V28 K73 E75 F145V26-T54 PolarHBondContact O-N 2.87Å; L27-T54 CarbonylContact C-O 3.54Å; L27-T54 WeakPolarHBondContact CA-O 3.21Å; V28-T54 PolarHBondContact N-O 3.08Å; T54-K73 CarbonylContact C-O 3.55Å; T54-K73 VanDerWaalsContact CA-O 3.28Å; T54-K73 WeakPolarHBondContact CA-O 3.28Å; T54-K73 HydrophobicContact CG2-CD 4.49Å; T54-K73 HydrophobicContact CG2-CG 4.34Å; T54-E75 HydrophobicContact CG2-CB 4.03Å; T54-E75 HydrophobicContact CG2-CG 3.43Å; T54-E75 VanDerWaalsContact CG2-CG 3.43Å; T54-F145 HydrophobicContact CG2-CE1 4.42Å; T54-F145 HydrophobicContact CG2-CZ 3.95Å
55V94.6Very high89.1Confident0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-102124.2-179.3-174.40000109.8V28 A30 W36 L43 V53 F64 L72 K73 I74 E75V28-V55 HydrophobicContact CB-CB 4.46Å; V28-V55 HydrophobicContact CB-CG1 4.42Å; V28-V55 HydrophobicContact CB-CG2 4.17Å; V28-V55 HydrophobicContact CG2-CG2 4.45Å; A30-V55 HydrophobicContact CB-CG1 3.98Å; W36-V55 HydrophobicContact CH2-CB 4.48Å; W36-V55 HydrophobicContact CH2-CG1 3.9Å; W36-V55 HydrophobicContact CH2-CG2 3.8Å; W36-V55 HydrophobicContact CZ3-CG1 3.94Å; W36-V55 HydrophobicContact CZ3-CG2 4.41Å; L43-V55 HydrophobicContact CD1-CG2 4.02Å; V53-V55 HydrophobicContact CG1-CG2 4.41Å; V55-F64 HydrophobicContact CG1-CE1 3.81Å; V55-F64 HydrophobicContact CG1-CZ 4.09Å; V55-L72 HydrophobicContact CG2-CD2 4.26Å; V55-K73 PolarHBondContact N-O 2.91Å; V55-I74 HydrophobicContact CB-CG1 4.48Å; V55-E75 PolarHBondContact O-N 3.33Å
56L94.5Very high87.5Confident2 Ų244.6 Ų44.61%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-86109.7170.6-58-168.6000109.1L27 V28 W29 A30 E75 Y77 F136 V140 L160L27-L56 HydrophobicContact CD1-CD1 3.88Å; L27-L56 HydrophobicContact CD1-CD2 3.65Å; L27-L56 HydrophobicContact CD1-CG 3.51Å; L27-L56 HydrophobicContact CD2-CD1 4.07Å; L27-L56 HydrophobicContact CG-CD1 4.2Å; L27-L56 HydrophobicContact CG-CG 4.18Å; V28-L56 PolarHBondContact O-N 2.81Å; W29-L56 HydrophobicContact CE3-CB 4.27Å; W29-L56 HydrophobicContact CE3-CD1 4.4Å; A30-L56 WeakPolarHBondContact CB-O 3.29Å; A30-L56 PolarHBondContact N-O 3.04Å; L56-E75 WeakPolarHBondContact CA-O 3.39Å; L56-E75 HydrophobicContact CD2-CB 3.78Å; L56-Y77 HydrophobicContact CB-CE1 4.45Å; L56-F136 HydrophobicContact CD1-CE1 4.4Å; L56-F136 HydrophobicContact CD2-CE1 4.39Å; L56-F136 HydrophobicContact CD2-CZ 3.93Å; L56-V140 HydrophobicContact CD1-CG1 4.48Å; L56-V140 HydrophobicContact CD2-CG2 4.17Å; L56-L160 HydrophobicContact CD1-CD1 4Å
57A92.9Very high85.6Confident1 Ų149.8 Ų49.81%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-118.6145.917900000110.6A30 F64 I74 E75 I76 Y77A30-A57 HydrophobicContact CB-CB 4.12Å; A57-F64 HydrophobicContact CB-CD1 4.35Å; A57-F64 HydrophobicContact CB-CD2 4.01Å; A57-F64 HydrophobicContact CB-CE2 4.24Å; A57-F64 HydrophobicContact CB-CG 4.03Å; A57-I74 HydrophobicContact CB-CG2 3.94Å; A57-E75 PolarHBondContact N-O 2.86Å; A57-E75 VanDerWaalsContact N-O 3.1Å; A57-I76 VanDerWaalsContact O-CA 3.28Å; A57-I76 WeakPolarHBondContact O-CA 3.27Å; A57-Y77 WeakPolarHBondContact O-CD1 3.34Å; A57-Y77 WeakPolarHBondContact O-CE1 3.5Å; A57-Y77 PolarHBondContact O-N 2.9Å
58S93.3Very high84Confident5 Ų553 Ų534%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-74.2154.7173.9800000110.2A60 S61S58-A60 PolarHBondContact O-N 2.83Å; S58-A60 VanDerWaalsContact O-N 3.08Å; S58-A60 PolarHBondContact OG-N 2.8Å; S58-A60 VanDerWaalsContact OG-N 3.16Å; S58-S61 PolarHBondContact N-OG 2.77Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 2.79Å; S58-S61 PolarHBondContact O-OG 2.98Å; S58-S61 PolarHBondContact OG-N 3.1Å; S58-S61 PolarHBondContact OG-OG 2.87Å
59S92.1Very high82.1Confident61 Ų6151.4 Ų51.443%0.42729%0.288SS..THydrogen-bonded Turntrans-61.4-13.5168.658.70000113.6Y77 T79S59-Y77 PolarHBondContact N-O 3.32Å; S59-T79 PolarHBondContact OG-N 3.5Å; S59-T79 VanDerWaalsContact OG-N 3.1Å
60A92.1Very high80.7Confident0 Ų046 Ų460%028%0.275CS..THydrogen-bonded Turntrans-91.8-7.8175.400000113.4S58 T79 L81 K83 L86 F126S58-A60 PolarHBondContact O-N 2.83Å; S58-A60 VanDerWaalsContact O-N 3.08Å; S58-A60 PolarHBondContact OG-N 2.8Å; S58-A60 VanDerWaalsContact OG-N 3.16Å; A60-T79 HydrophobicContact CB-CG2 3.76Å; A60-L81 HydrophobicContact CB-CB 4.1Å; A60-L81 WeakPolarHBondContact CB-O 3.49Å; A60-K83 VanDerWaalsContact O-CA 3.28Å; A60-K83 WeakPolarHBondContact O-CA 3.47Å; A60-L86 HydrophobicContact CB-CB 4.23Å; A60-L86 HydrophobicContact CB-CD2 4.03Å; A60-L86 WeakPolarHBondContact O-CD2 3.24Å; A60-F126 HydrophobicContact CB-CZ 4.48Å
61S89.1Confident79.7Confident10 Ų1048.2 Ų48.27%0.0729%0.289CS..  trans-65.2140.6-169.2-70.80000112.3E32 S58 F64E32-S61 VanDerWaalsContact OE1-CA 3.23Å; E32-S61 WeakPolarHBondContact OE1-CA 3.44Å; E32-S61 WeakPolarHBondContact OE1-CB 3.49Å; E32-S61 PolarHBondContact OE1-OG 3.31Å; S58-S61 PolarHBondContact N-OG 2.77Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 2.79Å; S58-S61 PolarHBondContact O-OG 2.98Å; S58-S61 PolarHBondContact OG-N 3.1Å; S58-S61 PolarHBondContact OG-OG 2.87Å; S61-F64 VanDerWaalsContact CB-CD2 3.48Å
62I83.4Confident79.2Confident17 Ų1746.6 Ų46.69%0.08728%0.282CS..SBendtrans-86.4-43.5-162.8-58.9170.1000110.5E32 Y33 K83 L86 E87 I90E32-I62 PolarHBondContact OE1-N 2.66Å; E32-I62 PolarHBondContact OE2-N 2.98Å; Y33-I62 HydrophobicContact CE2-CD1 3.9Å; Y33-I62 WeakPolarHBondContact OH-CD1 3.18Å; I62-K83 WeakPolarHBondContact O-CE 3.47Å; I62-K83 PolarHBondContact O-NZ 3.42Å; I62-L86 HydrophobicContact CD1-CG 4.33Å; I62-L86 HydrophobicContact CG1-CD2 4.39Å; I62-E87 HydrophobicContact CD1-CB 3.78Å; I62-E87 HydrophobicContact CD1-CG 4.21Å; I62-E87 HydrophobicContact CG1-CB 4.24Å; I62-I90 HydrophobicContact CD1-CD1 3.86Å
63L76.5Confident78.9Confident73 Ų7347 Ų4738%0.38228%0.283SS..SBendtrans-86.1-7.3-172.1-63.1-173.2000114.9W36 D65W36-L63 HydrophobicContact CB-CD1 3.92Å; W36-L63 HydrophobicContact CG-CD1 4.1Å; L63-D65 PolarHBondContact O-N 3.03Å
64F71.6Confident78.7Confident19 Ų1949 Ų498%0.08329%0.293CS..  trans-96.2101.3-178.4-58.5-88.1000109A30 W36 V55 A57 S61 P66 I74A30-F64 HydrophobicContact CB-CE2 3.77Å; A30-F64 HydrophobicContact CB-CZ 3.62Å; W36-F64 AromaticContact CD2-CE1 3.99Å; W36-F64 HydrophobicContact CD2-CE1 3.99Å; W36-F64 HydrophobicContact CD2-CE2 4.48Å; W36-F64 AromaticContact CD2-CZ 3.59Å; W36-F64 HydrophobicContact CD2-CZ 3.59Å; W36-F64 AromaticContact CE2-CE1 3.54Å; W36-F64 AromaticContact CE2-CZ 3.65Å; W36-F64 HydrophobicContact CE3-CE1 4.12Å; W36-F64 AromaticContact CE3-CZ 3.6Å; W36-F64 HydrophobicContact CE3-CZ 3.6Å; W36-F64 HydrophobicContact CG-CZ 4.32Å; W36-F64 AromaticContact CH2-CE1 3.5Å; W36-F64 HydrophobicContact CH2-CE1 3.5Å; W36-F64 VanDerWaalsContact CH2-CE1 3.5Å; W36-F64 AromaticContact CH2-CZ 3.85Å; W36-F64 HydrophobicContact CH2-CZ 3.85Å; W36-F64 HydrophobicContact CZ2-CD1 4.27Å; W36-F64 AromaticContact CZ2-CE1 3.3Å; W36-F64 HydrophobicContact CZ2-CE1 3.3Å; W36-F64 AromaticContact CZ2-CZ 3.8Å; W36-F64 HydrophobicContact CZ2-CZ 3.8Å; W36-F64 AromaticContact CZ3-CE1 3.89Å; W36-F64 HydrophobicContact CZ3-CE1 3.89Å; W36-F64 AromaticContact CZ3-CZ 3.72Å; W36-F64 HydrophobicContact CZ3-CZ 3.72Å; V55-F64 HydrophobicContact CG1-CE1 3.81Å; V55-F64 HydrophobicContact CG1-CZ 4.09Å; A57-F64 HydrophobicContact CB-CD1 4.35Å; A57-F64 HydrophobicContact CB-CD2 4.01Å; A57-F64 HydrophobicContact CB-CE2 4.24Å; A57-F64 HydrophobicContact CB-CG 4.03Å; S61-F64 VanDerWaalsContact CB-CD2 3.48Å; F64-P66 WeakPolarHBondContact O-CD 3.3Å; F64-I74 HydrophobicContact CD1-CD1 3.89Å; F64-I74 HydrophobicContact CD1-CG1 4.33Å; F64-I74 HydrophobicContact CD1-CG2 4.47Å
65D63.4Low78.6Confident81 Ų8150.7 Ų50.743%0.43330%0.301SS..  trans-91114.2168-176.8-1.1000109L63 N67 N68L63-D65 PolarHBondContact O-N 3.03Å; D65-N67 PolarHBondContact O-N 3.06Å; D65-N67 VanDerWaalsContact O-N 3.15Å; D65-N67 WeakPolarHBondContact OD1-CB 3.38Å; D65-N67 PolarHBondContact OD1-N 3.15Å; D65-N68 HydrophobicContact CB-CB 4.1Å; D65-N68 PolarHBondContact O-N 3.41Å
66P57.3Low78.5Confident97 Ų9754.7 Ų54.763%0.6332%0.321SS*.THydrogen-bonded Turntrans-62.8-16.7177.524.7-32.4000113.5F64 I76F64-P66 WeakPolarHBondContact O-CD 3.3Å; P66-I76 HydrophobicContact CB-CD1 4.5Å
67N54.1Low78.4Confident148 Ų14855 Ų5579%0.79132%0.322SS*.THydrogen-bonded Turntrans-87.7-8.3176.3-64.2-34.8000113.4D65 S69D65-N67 PolarHBondContact O-N 3.06Å; D65-N67 VanDerWaalsContact O-N 3.15Å; D65-N67 WeakPolarHBondContact OD1-CB 3.38Å; D65-N67 PolarHBondContact OD1-N 3.15Å; N67-S69 PolarHBondContact O-N 3.08Å
68N59.6Low78.4Confident112 Ų11258.8 Ų58.860%0.59935%0.346SS*.SBendtrans-84.5113.3177.8-159.4-13000109.4D65 S70D65-N68 HydrophobicContact CB-CB 4.1Å; D65-N68 PolarHBondContact O-N 3.41Å; N68-S70 PolarHBondContact O-N 3.05Å
69S50.7Low78.3Confident121 Ų12159.5 Ų59.585%0.84635%0.351SS*.  trans-6865.4178.1168.20000111.2N67N67-S69 PolarHBondContact O-N 3.08Å
70S62.7Low78.2Confident49 Ų4960.6 Ų60.634%0.34336%0.358SS..  trans-81.8149.2168.374.70000109.7N68 L72N68-S70 PolarHBondContact O-N 3.05Å; S70-L72 PolarHBondContact O-N 3.15Å
71A68.1Low78.1Confident86 Ų8662 Ų6271%0.71137%0.366SS*.SBendtrans-64.9-4.9172.600000113.3I47I47-A71 HydrophobicContact CD1-CB 4.31Å; I47-A71 HydrophobicContact CG2-CB 4.26Å
72L82.9Confident78.2Confident14 Ų1465 Ų657%0.07338%0.384CS..SBendtrans-81.4126.3179.2-66.9161.8000109.9W36 K40 L43 I47 V53 V55 S70 I74W36-L72 HydrophobicContact CH2-CD1 4.29Å; W36-L72 HydrophobicContact CZ2-CD1 4Å; K40-L72 HydrophobicContact CG-CD1 4.35Å; L43-L72 HydrophobicContact CB-CD2 3.88Å; L43-L72 HydrophobicContact CD1-CD2 3.86Å; I47-L72 HydrophobicContact CD1-CD2 3.44Å; I47-L72 VanDerWaalsContact CD1-CD2 3.44Å; I47-L72 HydrophobicContact CD1-CG 3.93Å; V53-L72 HydrophobicContact CB-CD2 4.23Å; V53-L72 HydrophobicContact CG1-CD2 3.77Å; V55-L72 HydrophobicContact CG2-CD2 4.26Å; S70-L72 PolarHBondContact O-N 3.15Å; L72-I74 PolarHBondContact O-N 2.9Å
73K89.6Confident78.6Confident85 Ų8568.5 Ų68.537%0.3740%0.398SS..EExtended strand (participates in β ladder)trans-76.9118.1168.5-178.3176.8169.8-1650108.4E52 V53 T54 V55E52-K73 IonicContact OE1-NZ 3.6Å; E52-K73 PolarHBondContact OE1-NZ 2.87Å; V53-K73 PolarHBondContact O-N 3.48Å; T54-K73 CarbonylContact C-O 3.55Å; T54-K73 VanDerWaalsContact CA-O 3.28Å; T54-K73 WeakPolarHBondContact CA-O 3.28Å; T54-K73 HydrophobicContact CG2-CD 4.49Å; T54-K73 HydrophobicContact CG2-CG 4.34Å; V55-K73 PolarHBondContact N-O 2.91Å
74I90.5Very high79.3Confident47 Ų4769.1 Ų69.124%0.24141%0.405CS..EExtended strand (participates in β ladder)trans-107.2126.1179.6-58.8162.2000108.5V55 A57 F64 L72 I76V55-I74 HydrophobicContact CB-CG1 4.48Å; A57-I74 HydrophobicContact CB-CG2 3.94Å; F64-I74 HydrophobicContact CD1-CD1 3.89Å; F64-I74 HydrophobicContact CD1-CG1 4.33Å; F64-I74 HydrophobicContact CD1-CG2 4.47Å; L72-I74 PolarHBondContact O-N 2.9Å; I74-I76 HydrophobicContact CG2-CG1 3.99Å
75E92.1Very high80.3Confident37 Ų3773.1 Ų73.117%0.17342%0.424CS..EExtended strand (participates in β ladder)trans-108106.7175.1-76.6-70.3176.700108.8T54 V55 L56 A57 K139T54-E75 HydrophobicContact CG2-CB 4.03Å; T54-E75 HydrophobicContact CG2-CG 3.43Å; T54-E75 VanDerWaalsContact CG2-CG 3.43Å; V55-E75 PolarHBondContact O-N 3.33Å; L56-E75 WeakPolarHBondContact CA-O 3.39Å; L56-E75 HydrophobicContact CD2-CB 3.78Å; A57-E75 PolarHBondContact N-O 2.86Å; A57-E75 VanDerWaalsContact N-O 3.1Å; E75-K139 WeakPolarHBondContact OE1-CE 3.44Å; E75-K139 IonicContact OE1-NZ 2.66Å; E75-K139 PolarHBondContact OE1-NZ 2.85Å; E75-K139 IonicContact OE2-NZ 2.87Å; E75-K139 PolarHBondContact OE2-NZ 2.82Å
76I92.3Very high81.6Confident83 Ų8369.5 Ų69.543%0.42641%0.405SS..EExtended strand (participates in β ladder)trans-87.6124.3-176-58176.5000109.7A57 P66 I74A57-I76 VanDerWaalsContact O-CA 3.28Å; A57-I76 WeakPolarHBondContact O-CA 3.27Å; P66-I76 HydrophobicContact CB-CD1 4.5Å; I74-I76 HydrophobicContact CG2-CG1 3.99Å
77Y92.8Very high83.2Confident9 Ų968.3 Ų68.34%0.03539%0.391CS..EExtended strand (participates in β ladder)trans-100.9142.9168.761.9-92.7000111.4W29 L56 A57 S59 F126 V130 F136W29-Y77 HydrophobicContact CH2-CE1 4.26Å; W29-Y77 HydrophobicContact CZ3-CE1 4.19Å; L56-Y77 HydrophobicContact CB-CE1 4.45Å; A57-Y77 WeakPolarHBondContact O-CD1 3.34Å; A57-Y77 WeakPolarHBondContact O-CE1 3.5Å; A57-Y77 PolarHBondContact O-N 2.9Å; S59-Y77 PolarHBondContact N-O 3.32Å; Y77-F126 HydrophobicContact CE2-CB 4.43Å; Y77-V130 HydrophobicContact CD1-CG2 3.57Å; Y77-V130 HydrophobicContact CD2-CG2 3.38Å; Y77-V130 HydrophobicContact CE1-CG2 3.64Å; Y77-V130 HydrophobicContact CE2-CG2 3.47Å; Y77-V130 VanDerWaalsContact CE2-CG2 3.47Å; Y77-V130 HydrophobicContact CG-CG2 3.44Å; Y77-V130 VanDerWaalsContact CG-CG2 3.44Å; Y77-F136 HydrophobicContact CD1-CE1 4.42Å; Y77-F136 HydrophobicContact CD1-CZ 4.22Å; Y77-F136 HydrophobicContact CG-CZ 4.43Å
78P92.1Very high85Confident80 Ų8066 Ų6652%0.51938%0.379SS..PPolyproline II helixtrans-70.9138.6177.230-34000110.6
79T92.4Very high86.4Confident21 Ų2162.4 Ų62.413%0.12936%0.358CS..  trans-131160.5167.3-178.40000109.7S59 A60 L81 F126 D129S59-T79 PolarHBondContact OG-N 3.5Å; S59-T79 VanDerWaalsContact OG-N 3.1Å; A60-T79 HydrophobicContact CB-CG2 3.76Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 HydrophobicContact CG2-CB 4.39Å; T79-L81 PolarHBondContact O-N 3.32Å; T79-F126 HydrophobicContact CG2-CD1 4.26Å; T79-F126 HydrophobicContact CG2-CE1 3.9Å; T79-F126 WeakPolarHBondContact OG1-CD1 3.46Å; T79-D129 WeakPolarHBondContact CA-OD2 3.33Å; T79-D129 VanDerWaalsContact CB-OD2 3.28Å; T79-D129 WeakPolarHBondContact CB-OD2 3.5Å; T79-D129 PolarHBondContact OG1-OD2 3.47Å
80S88.3Confident88.3Confident83 Ų8357.8 Ų57.858%0.5832%0.323SS*.SBendtrans-76.4-13177.678.10000113.6K125S80-K125 WeakPolarHBondContact OG-CE 3.46Å; S80-K125 PolarHBondContact OG-NZ 2.95Å
81L91.5Very high89.5Confident31 Ų3157.5 Ų57.516%0.16232%0.317CS..SBendtrans-80.7141174.2-86.170.6000109.7A60 T79 L86 I122 K125 F126A60-L81 HydrophobicContact CB-CB 4.1Å; A60-L81 WeakPolarHBondContact CB-O 3.49Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 HydrophobicContact CG2-CB 4.39Å; T79-L81 PolarHBondContact O-N 3.32Å; L81-L86 HydrophobicContact CD2-CD1 4.45Å; L81-I122 HydrophobicContact CD2-CG2 4.16Å; L81-K125 HydrophobicContact CD1-CD 3.72Å; L81-F126 HydrophobicContact CB-CE1 4.18Å; L81-F126 HydrophobicContact CD1-CE1 4.43Å; L81-F126 HydrophobicContact CD2-CE1 4.06Å; L81-F126 HydrophobicContact CD2-CZ 4Å; L81-F126 HydrophobicContact CG-CE1 4.46Å
82T91.4Very high90.6Very high73 Ų7359.5 Ų59.545%0.44831%0.312SS..  trans-85.3159.9166.765.60000110.7T84 E85 L86T82-T84 VanDerWaalsContact C-N 3.31Å; T82-T84 PolarHBondContact O-N 2.93Å; T82-E85 WeakPolarHBondContact CB-OE2 3.49Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.42Å; T82-E85 PolarHBondContact N-OE2 3.4Å; T82-E85 PolarHBondContact O-N 2.83Å; T82-E85 WeakPolarHBondContact OG1-CB 3.48Å; T82-E85 WeakPolarHBondContact OG1-CG 3.39Å; T82-E85 PolarHBondContact OG1-N 2.81Å; T82-E85 PolarHBondContact OG1-OE2 3.3Å; T82-L86 PolarHBondContact O-N 3Å
83K91.3Very high90.9Very high89 Ų8959.8 Ų59.839%0.38731%0.312SS..Hα-helixtrans-56.6-44.4175.5175.2172.4171.9162.60112.5A60 I62 L86 E87A60-K83 VanDerWaalsContact O-CA 3.28Å; A60-K83 WeakPolarHBondContact O-CA 3.47Å; I62-K83 WeakPolarHBondContact O-CE 3.47Å; I62-K83 PolarHBondContact O-NZ 3.42Å; K83-L86 PolarHBondContact O-N 2.75Å; K83-E87 WeakPolarHBondContact O-CB 3.15Å; K83-E87 PolarHBondContact O-N 3.48Å
84T90.9Very high90.8Very high86 Ų8657.5 Ų57.553%0.52830%0.304SS..Hα-helixtrans-66.6-37.7179.9-53.90000112.2T82 E87 N88T82-T84 VanDerWaalsContact C-N 3.31Å; T82-T84 PolarHBondContact O-N 2.93Å; T84-E87 PolarHBondContact O-N 2.99Å; T84-N88 VanDerWaalsContact O-CB 3.28Å; T84-N88 WeakPolarHBondContact O-CB 3.33Å; T84-N88 PolarHBondContact O-N 3.24Å; T84-N88 PolarHBondContact O-ND2 3.03Å
85E92.3Very high90.6Very high104 Ų10461.8 Ų61.849%0.48632%0.321SS..Hα-helixtrans-64.5-43.6174.3-73.8164.3146.300111.7T82 F89T82-E85 WeakPolarHBondContact CB-OE2 3.49Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.42Å; T82-E85 PolarHBondContact N-OE2 3.4Å; T82-E85 PolarHBondContact O-N 2.83Å; T82-E85 WeakPolarHBondContact OG1-CB 3.48Å; T82-E85 WeakPolarHBondContact OG1-CG 3.39Å; T82-E85 PolarHBondContact OG1-N 2.81Å; T82-E85 PolarHBondContact OG1-OE2 3.3Å; E85-F89 VanDerWaalsContact O-CB 3.23Å; E85-F89 WeakPolarHBondContact O-CB 3.48Å; E85-F89 PolarHBondContact O-N 2.8Å
86L91.9Very high90.4Very high5 Ų563.2 Ų63.23%0.02633%0.325CS..Hα-helixtrans-63.7-44.1176.5-177.960.6000111.6A60 I62 L81 T82 K83 F89 I90 I122 F126A60-L86 HydrophobicContact CB-CB 4.23Å; A60-L86 HydrophobicContact CB-CD2 4.03Å; A60-L86 WeakPolarHBondContact O-CD2 3.24Å; I62-L86 HydrophobicContact CD1-CG 4.33Å; I62-L86 HydrophobicContact CG1-CD2 4.39Å; L81-L86 HydrophobicContact CD2-CD1 4.45Å; T82-L86 PolarHBondContact O-N 3Å; K83-L86 PolarHBondContact O-N 2.75Å; L86-F89 PolarHBondContact O-N 3.48Å; L86-I90 HydrophobicContact CD1-CD1 3.95Å; L86-I90 HydrophobicContact CD1-CG1 4.25Å; L86-I90 HydrophobicContact CG-CD1 3.94Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 3.41Å; L86-I122 HydrophobicContact CD1-CG2 4.24Å; L86-F126 HydrophobicContact CD1-CE2 4.17Å; L86-F126 HydrophobicContact CD1-CZ 3.99Å; L86-F126 HydrophobicContact CD2-CE2 4.19Å; L86-F126 HydrophobicContact CD2-CZ 4.01Å
87E90.6Very high90.1Very high71 Ų7164 Ų6433%0.33232%0.323SS..Hα-helixtrans-62.1-49.7177.6-174.6174.4-174.100112I62 K83 T84 F89 I90 M91I62-E87 HydrophobicContact CD1-CB 3.78Å; I62-E87 HydrophobicContact CD1-CG 4.21Å; I62-E87 HydrophobicContact CG1-CB 4.24Å; K83-E87 WeakPolarHBondContact O-CB 3.15Å; K83-E87 PolarHBondContact O-N 3.48Å; T84-E87 PolarHBondContact O-N 2.99Å; E87-F89 VanDerWaalsContact C-N 3.29Å; E87-F89 PolarHBondContact O-N 3.37Å; E87-I90 PolarHBondContact O-N 3.12Å; E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 VanDerWaalsContact O-CG 3.28Å; E87-M91 WeakPolarHBondContact O-CG 3.18Å; E87-M91 PolarHBondContact O-N 2.96Å
88N90.7Very high89.7Confident101 Ų10168 Ų6854%0.5435%0.351SS..Hα-helixtrans-59.4-42176.6-75-21.1000111.6T84 M91 Q92T84-N88 VanDerWaalsContact O-CB 3.28Å; T84-N88 WeakPolarHBondContact O-CB 3.33Å; T84-N88 PolarHBondContact O-N 3.24Å; T84-N88 PolarHBondContact O-ND2 3.03Å; N88-M91 PolarHBondContact O-N 2.98Å; N88-Q92 WeakPolarHBondContact O-CB 3.43Å; N88-Q92 PolarHBondContact O-N 3.42Å
89F90.5Very high89.2Confident36 Ų3669.5 Ų69.516%0.15836%0.355CS..Hα-helixtrans-59.8-52176.4174-91.1000111.4E85 L86 E87 M91 Q92 Q93 I118 I122E85-F89 VanDerWaalsContact O-CB 3.23Å; E85-F89 WeakPolarHBondContact O-CB 3.48Å; E85-F89 PolarHBondContact O-N 2.8Å; L86-F89 PolarHBondContact O-N 3.48Å; E87-F89 VanDerWaalsContact C-N 3.29Å; E87-F89 PolarHBondContact O-N 3.37Å; F89-M91 VanDerWaalsContact C-N 3.34Å; F89-M91 PolarHBondContact O-N 3.35Å; F89-Q92 WeakPolarHBondContact O-CB 3.37Å; F89-Q92 PolarHBondContact O-N 3.3Å; F89-Q93 HydrophobicContact CD1-CG 4.34Å; F89-Q93 HydrophobicContact CE1-CG 3.65Å; F89-Q93 HydrophobicContact CE2-CG 3.96Å; F89-Q93 HydrophobicContact CZ-CG 3.43Å; F89-Q93 VanDerWaalsContact CZ-CG 3.43Å; F89-Q93 WeakPolarHBondContact O-CG 3.49Å; F89-Q93 PolarHBondContact O-N 2.69Å; F89-I118 HydrophobicContact CE2-CB 4.48Å; F89-I118 HydrophobicContact CE2-CG2 3.37Å; F89-I118 HydrophobicContact CZ-CB 4.12Å; F89-I118 HydrophobicContact CZ-CG2 3.38Å; F89-I122 HydrophobicContact CD1-CD1 3.28Å; F89-I122 HydrophobicContact CD2-CD1 3.7Å; F89-I122 HydrophobicContact CE1-CD1 3.2Å; F89-I122 HydrophobicContact CE2-CD1 3.61Å; F89-I122 HydrophobicContact CG-CD1 3.55Å; F89-I122 HydrophobicContact CZ-CD1 3.37Å
90I89.7Confident88.8Confident23 Ų2369 Ų6912%0.11835%0.352CS..Hα-helixtrans-61.5-45-179-69.7171.7000110.3Y33 I62 L86 E87 Q92 Q93 I94Y33-I90 HydrophobicContact CD2-CG2 4.25Å; Y33-I90 HydrophobicContact CE2-CB 4.39Å; Y33-I90 HydrophobicContact CE2-CD1 3.94Å; Y33-I90 HydrophobicContact CE2-CG2 3.61Å; I62-I90 HydrophobicContact CD1-CD1 3.86Å; L86-I90 HydrophobicContact CD1-CD1 3.95Å; L86-I90 HydrophobicContact CD1-CG1 4.25Å; L86-I90 HydrophobicContact CG-CD1 3.94Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 3.41Å; E87-I90 PolarHBondContact O-N 3.12Å; I90-Q92 VanDerWaalsContact C-N 3.33Å; I90-Q92 PolarHBondContact O-N 2.82Å; I90-Q93 PolarHBondContact O-N 3.3Å; I90-I94 HydrophobicContact CG2-CD1 3.52Å; I90-I94 HydrophobicContact CG2-CG1 4.26Å; I90-I94 WeakPolarHBondContact O-CD1 3.48Å; I90-I94 VanDerWaalsContact O-CG1 3.31Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.26Å
91M88.8Confident88.4Confident44 Ų4467.7 Ų67.722%0.21734%0.341CS..Hα-helixtrans-62.5-38.5177.9-70.3-62.1135.400112.6Y33 E87 N88 F89 I94 K95Y33-M91 HydrophobicContact CE1-CE 3.85Å; Y33-M91 HydrophobicContact CE2-CE 4.47Å; Y33-M91 WeakPolarHBondContact OH-CE 2.81Å; E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 VanDerWaalsContact O-CG 3.28Å; E87-M91 WeakPolarHBondContact O-CG 3.18Å; E87-M91 PolarHBondContact O-N 2.96Å; N88-M91 PolarHBondContact O-N 2.98Å; F89-M91 VanDerWaalsContact C-N 3.34Å; F89-M91 PolarHBondContact O-N 3.35Å; M91-I94 HydrophobicContact CE-CD1 3.77Å; M91-I94 PolarHBondContact O-N 2.89Å; M91-I94 HydrophobicContact SD-CD1 4.13Å; M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.07Å
92Q90.1Very high87.8Confident128 Ų12873.5 Ų73.560%0.59837%0.365SS*.Hα-helixtrans-62.1-43.5174.2-175-177.110.900111.5N88 F89 I90 K95 R96N88-Q92 WeakPolarHBondContact O-CB 3.43Å; N88-Q92 PolarHBondContact O-N 3.42Å; F89-Q92 WeakPolarHBondContact O-CB 3.37Å; F89-Q92 PolarHBondContact O-N 3.3Å; I90-Q92 VanDerWaalsContact C-N 3.33Å; I90-Q92 PolarHBondContact O-N 2.82Å; Q92-K95 PolarHBondContact O-N 3.48Å; Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 PolarHBondContact O-N 3.2Å
93Q90.2Very high87.1Confident19 Ų1977 Ų779%0.08938%0.381CS..Hα-helixtrans-69.1-39178.4-59.7-38.1-60.900112.1F89 I90 K95 R96 W97 I115F89-Q93 HydrophobicContact CD1-CG 4.34Å; F89-Q93 HydrophobicContact CE1-CG 3.65Å; F89-Q93 HydrophobicContact CE2-CG 3.96Å; F89-Q93 HydrophobicContact CZ-CG 3.43Å; F89-Q93 VanDerWaalsContact CZ-CG 3.43Å; F89-Q93 WeakPolarHBondContact O-CG 3.49Å; F89-Q93 PolarHBondContact O-N 2.69Å; I90-Q93 PolarHBondContact O-N 3.3Å; Q93-K95 VanDerWaalsContact C-N 3.34Å; Q93-K95 PolarHBondContact O-N 3.49Å; Q93-R96 PolarHBondContact O-N 2.87Å; Q93-W97 WeakPolarHBondContact O-CB 3.46Å; Q93-W97 PolarHBondContact O-N 3.39Å; Q93-I115 HydrophobicContact CB-CG2 4.15Å
94I86.7Confident86.8Confident37 Ų3776 Ų7619%0.1938%0.383CS..Hα-helixtrans-60.6-45.7174.9-70.2159000110.6I90 M91 W97 S98 M312I90-I94 HydrophobicContact CG2-CD1 3.52Å; I90-I94 HydrophobicContact CG2-CG1 4.26Å; I90-I94 WeakPolarHBondContact O-CD1 3.48Å; I90-I94 VanDerWaalsContact O-CG1 3.31Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.26Å; M91-I94 HydrophobicContact CE-CD1 3.77Å; M91-I94 PolarHBondContact O-N 2.89Å; M91-I94 HydrophobicContact SD-CD1 4.13Å; I94-W97 PolarHBondContact O-N 2.89Å; I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 3.09Å; I94-S98 PolarHBondContact O-OG 3.43Å; I94-M312 HydrophobicContact CD1-CB 3.94Å; I94-M312 HydrophobicContact CD1-CG 3.9Å; I94-M312 HydrophobicContact CD1-SD 3.61Å; I94-M312 HydrophobicContact CG1-SD 4Å
95K86.3Confident86.6Confident138 Ų13873.3 Ų73.360%0.636%0.363SS*.Hα-helixtrans-60.9-48.8176.6-177.3179.5179.5-176.90110.5M91 Q92 Q93 W97 S98 D99M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.07Å; Q92-K95 PolarHBondContact O-N 3.48Å; Q93-K95 VanDerWaalsContact C-N 3.34Å; Q93-K95 PolarHBondContact O-N 3.49Å; K95-W97 VanDerWaalsContact C-N 3.29Å; K95-W97 PolarHBondContact O-N 3.15Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.13Å; K95-D99 PolarHBondContact O-N 3.28Å
96R88.1Confident86.3Confident67 Ų6774.6 Ų74.625%0.25336%0.364SS..Hα-helixtrans-55.8-44.6177.6-174.7-175.7171.6174.35.8111.7Q92 Q93 L100 E114 I115Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 PolarHBondContact O-N 3.2Å; Q93-R96 PolarHBondContact O-N 2.87Å; R96-L100 WeakPolarHBondContact O-CD2 3.32Å; R96-L100 VanDerWaalsContact O-CG 3.29Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 2.96Å; R96-E114 IonicContact CZ-OE1 2.77Å; R96-E114 IonicContact CZ-OE2 3.78Å; R96-E114 VanDerWaalsContact NH1-CD 3.26Å; R96-E114 IonicContact NH1-OE1 2.75Å; R96-E114 PolarHBondContact NH1-OE1 2.63Å; R96-E114 IonicContact NH1-OE2 3.73Å; R96-E114 IonicContact NH2-OE1 3.78Å; R96-E114 PolarHBondContact NH2-OE1 2.98Å; R96-E114 VanDerWaalsContact NH2-OE1 3.14Å; R96-E114 IonicContact NH2-OE2 3.29Å; R96-E114 PolarHBondContact NH2-OE2 3.23Å; R96-I115 HydrophobicContact CG-CD1 4.15Å; R96-I115 HydrophobicContact CG-CG1 4.45Å
97W86.2Confident86.2Confident100 Ų10078.5 Ų78.538%0.37939%0.385SS..Hα-helixtrans-64.3-45.9176.3-162.8-19.5000111.6Q93 I94 K95 D99 L100 Y108 I115 M198Q93-W97 WeakPolarHBondContact O-CB 3.46Å; Q93-W97 PolarHBondContact O-N 3.39Å; I94-W97 PolarHBondContact O-N 2.89Å; K95-W97 VanDerWaalsContact C-N 3.29Å; K95-W97 PolarHBondContact O-N 3.15Å; W97-D99 PolarHBondContact O-N 3.41Å; W97-L100 HydrophobicContact CG-CD1 4.35Å; W97-L100 WeakPolarHBondContact O-CB 3.5Å; W97-L100 VanDerWaalsContact O-CG 3.28Å; W97-L100 WeakPolarHBondContact O-CG 3.48Å; W97-L100 PolarHBondContact O-N 3.5Å; W97-L100 VanDerWaalsContact O-N 3.11Å; W97-Y108 AromaticContact NE1-CZ 3.79Å; W97-Y108 PolarHBondContact NE1-OH 3.5Å; W97-I115 HydrophobicContact CB-CD1 4.08Å; W97-I115 HydrophobicContact CG-CD1 4.48Å; W97-M198 HydrophobicContact CZ2-CE 4.3Å
98S82.9Confident86.1Confident91 Ų9176.4 Ų76.464%0.63637%0.374SS*.Hα-helixtrans-62.3-32.7-178.3-56.60000112.9I94 K95 L100I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 3.09Å; I94-S98 PolarHBondContact O-OG 3.43Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.13Å; S98-L100 VanDerWaalsContact C-N 3.32Å
99D83.4Confident86.2Confident112 Ų11271.8 Ų71.860%0.59935%0.349SS*.THydrogen-bonded Turntrans-86.21.8-180-65-24.7000113.1K95 W97K95-D99 PolarHBondContact O-N 3.28Å; W97-D99 PolarHBondContact O-N 3.41Å
100L83.6Confident86.2Confident12 Ų1273.2 Ų73.26%0.06336%0.363CS..  trans-67.3126.5-177.9-66.5-178.4000111.7R96 W97 S98 K102 Y108 Q111 V112 I115R96-L100 WeakPolarHBondContact O-CD2 3.32Å; R96-L100 VanDerWaalsContact O-CG 3.29Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 2.96Å; W97-L100 HydrophobicContact CG-CD1 4.35Å; W97-L100 WeakPolarHBondContact O-CB 3.5Å; W97-L100 VanDerWaalsContact O-CG 3.28Å; W97-L100 WeakPolarHBondContact O-CG 3.48Å; W97-L100 PolarHBondContact O-N 3.5Å; W97-L100 VanDerWaalsContact O-N 3.11Å; S98-L100 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 2.97Å; L100-Y108 HydrophobicContact CB-CD2 3.98Å; L100-Y108 HydrophobicContact CB-CE2 4.11Å; L100-Y108 HydrophobicContact CD1-CD2 4.07Å; L100-Y108 HydrophobicContact CD1-CE2 3.95Å; L100-Q111 HydrophobicContact CD1-CB 4.11Å; L100-Q111 HydrophobicContact CD2-CB 3.6Å; L100-Q111 HydrophobicContact CD2-CG 4.06Å; L100-V112 HydrophobicContact CD1-CG2 4.17Å; L100-I115 HydrophobicContact CD1-CD1 4.25Å
101P80.2Confident86.2Confident55 Ų5574.2 Ų74.236%0.35737%0.368SS..  trans-65.7126.3170.219.4-19.7000109.4D103 L107P101-D103 VanDerWaalsContact C-N 3.27Å; P101-L107 HydrophobicContact CG-CD2 4.28Å
102K78.6Confident86.4Confident153 Ų15372.2 Ų72.267%0.66536%0.357SS*.  trans-88.22.3179.7-63.4-174.7-179.4-178.20112.9L100 T104 Y108L100-K102 PolarHBondContact O-N 2.97Å; K102-T104 PolarHBondContact O-N 3.01Å; K102-Y108 HydrophobicContact CG-CD2 4.27Å; K102-Y108 HydrophobicContact CG-CE2 4.3Å
103D76.3Confident86.6Confident147 Ų14768.4 Ų68.479%0.78634%0.34SS*.SBendtrans-67.3-24.3-168.3-43.5-26.4000112.7P101P101-D103 VanDerWaalsContact C-N 3.27Å
104T84.3Confident86.7Confident68 Ų6872 Ų7242%0.41736%0.357SS..  trans-135127.1175.464.20000112K102 W106 L107 Y108K102-T104 PolarHBondContact O-N 3.01Å; T104-W106 VanDerWaalsContact C-N 3.3Å; T104-W106 PolarHBondContact O-N 3.08Å; T104-L107 PolarHBondContact O-N 3.1Å; T104-L107 WeakPolarHBondContact OG1-CB 3.4Å; T104-Y108 WeakPolarHBondContact O-CB 3.49Å; T104-Y108 PolarHBondContact O-N 3.11Å
105F87Confident87Confident28 Ų2870.6 Ų70.612%0.12335%0.349CS..Hα-helixtrans-51.5-46.9178.5175-89.1000112.5Y108 F109 Y216 Y219 F220F105-Y108 PolarHBondContact O-N 3.13Å; F105-F109 HydrophobicContact CD1-CD2 4.17Å; F105-F109 AromaticContact CD2-CD2 3.54Å; F105-F109 HydrophobicContact CD2-CD2 3.54Å; F105-F109 AromaticContact CD2-CE2 3.42Å; F105-F109 HydrophobicContact CD2-CE2 3.42Å; F105-F109 VanDerWaalsContact CD2-CE2 3.42Å; F105-F109 HydrophobicContact CE1-CD2 4Å; F105-F109 AromaticContact CE2-CD2 3.37Å; F105-F109 HydrophobicContact CE2-CD2 3.37Å; F105-F109 AromaticContact CE2-CE2 3.18Å; F105-F109 HydrophobicContact CE2-CE2 3.18Å; F105-F109 HydrophobicContact CE2-CZ 4.28Å; F105-F109 AromaticContact CG-CD2 3.94Å; F105-F109 HydrophobicContact CG-CD2 3.94Å; F105-F109 HydrophobicContact CG-CE2 4.26Å; F105-F109 AromaticContact CZ-CD2 3.61Å; F105-F109 HydrophobicContact CZ-CD2 3.61Å; F105-F109 AromaticContact CZ-CE2 3.86Å; F105-F109 HydrophobicContact CZ-CE2 3.86Å; F105-F109 WeakPolarHBondContact O-CD2 3.24Å; F105-F109 PolarHBondContact O-N 2.9Å; F105-Y216 HydrophobicContact CB-CE1 4.03Å; F105-Y216 AromaticContact CD1-CD1 3.79Å; F105-Y216 HydrophobicContact CD1-CD1 3.79Å; F105-Y216 AromaticContact CD1-CE1 3.53Å; F105-Y216 HydrophobicContact CD1-CE1 3.53Å; F105-Y216 AromaticContact CD2-CD1 3.8Å; F105-Y216 HydrophobicContact CD2-CD1 3.8Å; F105-Y216 HydrophobicContact CD2-CD2 4.19Å; F105-Y216 AromaticContact CD2-CE1 3.36Å; F105-Y216 HydrophobicContact CD2-CE1 3.36Å; F105-Y216 AromaticContact CD2-CE2 3.79Å; F105-Y216 HydrophobicContact CD2-CE2 3.79Å; F105-Y216 HydrophobicContact CD2-CG 4.17Å; F105-Y216 AromaticContact CD2-CZ 3.32Å; F105-Y216 AromaticContact CE1-CD1 3.47Å; F105-Y216 HydrophobicContact CE1-CD1 3.47Å; F105-Y216 VanDerWaalsContact CE1-CD1 3.47Å; F105-Y216 AromaticContact CE1-CE1 3.74Å; F105-Y216 HydrophobicContact CE1-CE1 3.74Å; F105-Y216 HydrophobicContact CE1-CG 4.21Å; F105-Y216 AromaticContact CE2-CD1 3.45Å; F105-Y216 HydrophobicContact CE2-CD1 3.45Å; F105-Y216 VanDerWaalsContact CE2-CD1 3.45Å; F105-Y216 AromaticContact CE2-CD2 3.73Å; F105-Y216 HydrophobicContact CE2-CD2 3.73Å; F105-Y216 AromaticContact CE2-CE1 3.57Å; F105-Y216 HydrophobicContact CE2-CE1 3.57Å; F105-Y216 AromaticContact CE2-CE2 3.83Å; F105-Y216 HydrophobicContact CE2-CE2 3.83Å; F105-Y216 AromaticContact CE2-CG 3.52Å; F105-Y216 HydrophobicContact CE2-CG 3.52Å; F105-Y216 AromaticContact CE2-CZ 3.72Å; F105-Y216 AromaticContact CG-CD1 3.96Å; F105-Y216 HydrophobicContact CG-CD1 3.96Å; F105-Y216 AromaticContact CG-CE1 3.35Å; F105-Y216 HydrophobicContact CG-CE1 3.35Å; F105-Y216 AromaticContact CG-CZ 3.67Å; F105-Y216 AromaticContact CZ-CD1 3.3Å; F105-Y216 HydrophobicContact CZ-CD1 3.3Å; F105-Y216 HydrophobicContact CZ-CD2 4.25Å; F105-Y216 AromaticContact CZ-CE1 3.77Å; F105-Y216 HydrophobicContact CZ-CE1 3.77Å; F105-Y216 AromaticContact CZ-CG 3.55Å; F105-Y216 HydrophobicContact CZ-CG 3.55Å; F105-Y219 AromaticContact CE1-CD1 3.63Å; F105-Y219 HydrophobicContact CE1-CD1 3.63Å; F105-Y219 HydrophobicContact CE1-CE1 4.12Å; F105-Y219 HydrophobicContact CE1-CG 4.08Å; F105-Y219 AromaticContact CZ-CD1 3.93Å; F105-Y219 HydrophobicContact CZ-CD1 3.93Å; F105-Y219 HydrophobicContact CZ-CE1 4.48Å; F105-F220 HydrophobicContact CE2-CE2 4.16Å; F105-F220 HydrophobicContact CZ-CD2 4.4Å; F105-F220 AromaticContact CZ-CE2 3.68Å; F105-F220 HydrophobicContact CZ-CE2 3.68Å; F105-F220 HydrophobicContact CZ-CZ 4.32Å
106W87.1Confident87.3Confident132 Ų13264.8 Ų64.850%0.533%0.325SS..Hα-helixtrans-66.3-45.1-175.3-50.5113.2000113.1T104 Y108 S110 I215 Y219T104-W106 VanDerWaalsContact C-N 3.3Å; T104-W106 PolarHBondContact O-N 3.08Å; W106-Y108 VanDerWaalsContact C-N 3.33Å; W106-S110 WeakPolarHBondContact O-CB 3.26Å; W106-S110 PolarHBondContact O-N 2.88Å; W106-I215 HydrophobicContact CH2-CG2 3.6Å; W106-I215 HydrophobicContact CZ2-CG2 3.79Å; W106-Y219 AromaticContact CE3-CD2 3.82Å; W106-Y219 HydrophobicContact CE3-CD2 3.82Å; W106-Y219 HydrophobicContact CE3-CE2 4.05Å; W106-Y219 HydrophobicContact CE3-CG 4.16Å; W106-Y219 HydrophobicContact CZ3-CD1 4.37Å; W106-Y219 AromaticContact CZ3-CD2 3.41Å; W106-Y219 HydrophobicContact CZ3-CD2 3.41Å; W106-Y219 VanDerWaalsContact CZ3-CD2 3.41Å; W106-Y219 HydrophobicContact CZ3-CE2 4.12Å; W106-Y219 AromaticContact CZ3-CG 3.54Å; W106-Y219 HydrophobicContact CZ3-CG 3.54Å
107L88Confident87.6Confident87 Ų8763.2 Ų63.246%0.45532%0.324SS..Hα-helixtrans-68.1-38.3179.1-175.462.8000110.9P101 T104 Q111P101-L107 HydrophobicContact CG-CD2 4.28Å; T104-L107 PolarHBondContact O-N 3.1Å; T104-L107 WeakPolarHBondContact OG1-CB 3.4Å; L107-Q111 WeakPolarHBondContact O-CG 3.04Å; L107-Q111 PolarHBondContact O-N 2.82Å; L107-Q111 PolarHBondContact O-NE2 3.45Å
108Y90.3Very high88Confident27 Ų2760.9 Ų60.911%0.10632%0.318CS..Hα-helixtrans-61.6-55.2176.3179.2-96.8000110.7W97 L100 K102 T104 F105 W106 S110 Q111 V112 M198W97-Y108 AromaticContact NE1-CZ 3.79Å; W97-Y108 PolarHBondContact NE1-OH 3.5Å; L100-Y108 HydrophobicContact CB-CD2 3.98Å; L100-Y108 HydrophobicContact CB-CE2 4.11Å; L100-Y108 HydrophobicContact CD1-CD2 4.07Å; L100-Y108 HydrophobicContact CD1-CE2 3.95Å; K102-Y108 HydrophobicContact CG-CD2 4.27Å; K102-Y108 HydrophobicContact CG-CE2 4.3Å; T104-Y108 WeakPolarHBondContact O-CB 3.49Å; T104-Y108 PolarHBondContact O-N 3.11Å; F105-Y108 PolarHBondContact O-N 3.13Å; W106-Y108 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 2.79Å; Y108-Q111 PolarHBondContact O-N 2.98Å; Y108-V112 HydrophobicContact CD1-CG2 4.09Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 HydrophobicContact CE2-CG2 4.42Å; Y108-V112 WeakPolarHBondContact O-CG2 3.39Å; Y108-V112 PolarHBondContact O-N 2.82Å; Y108-M198 HydrophobicContact CE1-CE 3.94Å; Y108-M198 WeakPolarHBondContact OH-CE 3.38Å
109F91.6Very high88.5Confident4 Ų458.4 Ų58.42%0.01830%0.296CS..Hα-helixtrans-73.4-26.6-176.1-75.9-68000114.4F105 Q111 V112 Q113 M198 Y219 F220 F224F105-F109 HydrophobicContact CD1-CD2 4.17Å; F105-F109 AromaticContact CD2-CD2 3.54Å; F105-F109 HydrophobicContact CD2-CD2 3.54Å; F105-F109 AromaticContact CD2-CE2 3.42Å; F105-F109 HydrophobicContact CD2-CE2 3.42Å; F105-F109 VanDerWaalsContact CD2-CE2 3.42Å; F105-F109 HydrophobicContact CE1-CD2 4Å; F105-F109 AromaticContact CE2-CD2 3.37Å; F105-F109 HydrophobicContact CE2-CD2 3.37Å; F105-F109 AromaticContact CE2-CE2 3.18Å; F105-F109 HydrophobicContact CE2-CE2 3.18Å; F105-F109 HydrophobicContact CE2-CZ 4.28Å; F105-F109 AromaticContact CG-CD2 3.94Å; F105-F109 HydrophobicContact CG-CD2 3.94Å; F105-F109 HydrophobicContact CG-CE2 4.26Å; F105-F109 AromaticContact CZ-CD2 3.61Å; F105-F109 HydrophobicContact CZ-CD2 3.61Å; F105-F109 AromaticContact CZ-CE2 3.86Å; F105-F109 HydrophobicContact CZ-CE2 3.86Å; F105-F109 WeakPolarHBondContact O-CD2 3.24Å; F105-F109 PolarHBondContact O-N 2.9Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.07Å; F109-V112 HydrophobicContact CD1-CB 4.28Å; F109-V112 HydrophobicContact CD1-CG1 4.45Å; F109-V112 HydrophobicContact CD1-CG2 4.39Å; F109-V112 PolarHBondContact O-N 2.92Å; F109-Q113 VanDerWaalsContact O-CB 3.31Å; F109-Q113 WeakPolarHBondContact O-CB 3.14Å; F109-Q113 PolarHBondContact O-N 2.88Å; F109-M198 HydrophobicContact CE1-CE 4.31Å; F109-M198 HydrophobicContact CE1-SD 4.23Å; F109-M198 HydrophobicContact CZ-CB 4.01Å; F109-Y219 HydrophobicContact CB-CE1 3.65Å; F109-Y219 HydrophobicContact CG-CE1 4.34Å; F109-F220 AromaticContact CD1-CE1 3.93Å; F109-F220 HydrophobicContact CD1-CE1 3.93Å; F109-F220 AromaticContact CD1-CZ 3.51Å; F109-F220 HydrophobicContact CD1-CZ 3.51Å; F109-F220 HydrophobicContact CD2-CZ 4.05Å; F109-F220 HydrophobicContact CE1-CE1 4.19Å; F109-F220 AromaticContact CE1-CZ 3.52Å; F109-F220 HydrophobicContact CE1-CZ 3.52Å; F109-F220 HydrophobicContact CE2-CE2 4.47Å; F109-F220 HydrophobicContact CE2-CZ 4.06Å; F109-F220 HydrophobicContact CG-CE1 4.38Å; F109-F220 AromaticContact CG-CZ 3.8Å; F109-F220 HydrophobicContact CG-CZ 3.8Å; F109-F220 HydrophobicContact CZ-CE2 4.45Å; F109-F220 AromaticContact CZ-CZ 3.8Å; F109-F220 HydrophobicContact CZ-CZ 3.8Å; F109-F224 HydrophobicContact CD1-CE2 4.46Å
110S90.7Very high89Confident66 Ų6653.1 Ų53.146%0.46227%0.268SS..Hα-helixtrans-60.5-41.2168.6178.90000111.8W106 Y108 Q113 E114W106-S110 WeakPolarHBondContact O-CB 3.26Å; W106-S110 PolarHBondContact O-N 2.88Å; Y108-S110 PolarHBondContact O-N 2.79Å; S110-Q113 WeakPolarHBondContact O-CB 3.28Å; S110-Q113 PolarHBondContact O-N 3.2Å; S110-E114 PolarHBondContact O-N 3.2Å; S110-E114 VanDerWaalsContact O-N 3.09Å
111Q91.1Very high89.6Confident44 Ų4455 Ų5521%0.20628%0.278CS..Hα-helixtrans-74.4-36.7177-69-179.291.300112.6L100 L107 Y108 F109 Q113 E114 I115L100-Q111 HydrophobicContact CD1-CB 4.11Å; L100-Q111 HydrophobicContact CD2-CB 3.6Å; L100-Q111 HydrophobicContact CD2-CG 4.06Å; L107-Q111 WeakPolarHBondContact O-CG 3.04Å; L107-Q111 PolarHBondContact O-N 2.82Å; L107-Q111 PolarHBondContact O-NE2 3.45Å; Y108-Q111 PolarHBondContact O-N 2.98Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.07Å; Q111-Q113 VanDerWaalsContact C-N 3.3Å; Q111-Q113 PolarHBondContact O-N 3.14Å; Q111-E114 PolarHBondContact O-N 2.86Å; Q111-I115 WeakPolarHBondContact O-CG1 3.41Å; Q111-I115 PolarHBondContact O-N 2.97Å
112V91.7Very high90.2Very high1 Ų153.5 Ų53.51%0.00627%0.267CS..Hα-helixtrans-59.4-43.8170.6172.20000110.3L100 Y108 F109 E114 I115 M116 F224L100-V112 HydrophobicContact CD1-CG2 4.17Å; Y108-V112 HydrophobicContact CD1-CG2 4.09Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 HydrophobicContact CE2-CG2 4.42Å; Y108-V112 WeakPolarHBondContact O-CG2 3.39Å; Y108-V112 PolarHBondContact O-N 2.82Å; F109-V112 HydrophobicContact CD1-CB 4.28Å; F109-V112 HydrophobicContact CD1-CG1 4.45Å; F109-V112 HydrophobicContact CD1-CG2 4.39Å; F109-V112 PolarHBondContact O-N 2.92Å; V112-E114 VanDerWaalsContact C-N 3.33Å; V112-E114 PolarHBondContact O-N 3.5Å; V112-I115 PolarHBondContact O-N 2.99Å; V112-M116 HydrophobicContact CG1-CG 4.11Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.24Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 2.77Å; V112-F224 HydrophobicContact CG1-CE2 4.37Å; V112-F224 HydrophobicContact CG1-CZ 4.23Å
113Q93.6Very high91Very high48 Ų4846.5 Ų46.522%0.22424%0.237CC..Hα-helixtrans-57.9-45175.6174.2167-20.800111.5F109 S110 Q111 M116 S117 F224 E225F109-Q113 VanDerWaalsContact O-CB 3.31Å; F109-Q113 WeakPolarHBondContact O-CB 3.14Å; F109-Q113 PolarHBondContact O-N 2.88Å; S110-Q113 WeakPolarHBondContact O-CB 3.28Å; S110-Q113 PolarHBondContact O-N 3.2Å; Q111-Q113 VanDerWaalsContact C-N 3.3Å; Q111-Q113 PolarHBondContact O-N 3.14Å; Q113-M116 PolarHBondContact O-N 3.4Å; Q113-S117 VanDerWaalsContact O-CB 3.25Å; Q113-S117 WeakPolarHBondContact O-CB 3.15Å; Q113-S117 PolarHBondContact O-N 2.96Å; Q113-F224 HydrophobicContact CB-CD2 3.95Å; Q113-F224 HydrophobicContact CB-CE2 3.6Å; Q113-F224 HydrophobicContact CB-CZ 4.32Å; Q113-F224 HydrophobicContact CG-CE2 4.49Å; Q113-E225 WeakPolarHBondContact CG-O 3.35Å
114E92.9Very high92Very high96 Ų9641.7 Ų41.745%0.44921%0.208SC..Hα-helixtrans-63.6-45.3177.8-162-169.4136.500111.9R96 S110 Q111 V112 M116 S117 I118R96-E114 IonicContact CZ-OE1 2.77Å; R96-E114 IonicContact CZ-OE2 3.78Å; R96-E114 VanDerWaalsContact NH1-CD 3.26Å; R96-E114 IonicContact NH1-OE1 2.75Å; R96-E114 PolarHBondContact NH1-OE1 2.63Å; R96-E114 IonicContact NH1-OE2 3.73Å; R96-E114 IonicContact NH2-OE1 3.78Å; R96-E114 PolarHBondContact NH2-OE1 2.98Å; R96-E114 VanDerWaalsContact NH2-OE1 3.14Å; R96-E114 IonicContact NH2-OE2 3.29Å; R96-E114 PolarHBondContact NH2-OE2 3.23Å; S110-E114 PolarHBondContact O-N 3.2Å; S110-E114 VanDerWaalsContact O-N 3.09Å; Q111-E114 PolarHBondContact O-N 2.86Å; V112-E114 VanDerWaalsContact C-N 3.33Å; V112-E114 PolarHBondContact O-N 3.5Å; E114-M116 PolarHBondContact O-N 2.9Å; E114-S117 PolarHBondContact O-N 3.19Å; E114-I118 HydrophobicContact CG-CD1 4.37Å; E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 2.67Å
115I93.3Very high92.5Very high7 Ų741.9 Ų41.94%0.03620%0.203CC..Hα-helixtrans-58.4-48.2176.2-71.1160.4000110.7Q93 R96 W97 L100 Q111 V112 I118 F119Q93-I115 HydrophobicContact CB-CG2 4.15Å; R96-I115 HydrophobicContact CG-CD1 4.15Å; R96-I115 HydrophobicContact CG-CG1 4.45Å; W97-I115 HydrophobicContact CB-CD1 4.08Å; W97-I115 HydrophobicContact CG-CD1 4.48Å; L100-I115 HydrophobicContact CD1-CD1 4.25Å; Q111-I115 WeakPolarHBondContact O-CG1 3.41Å; Q111-I115 PolarHBondContact O-N 2.97Å; V112-I115 PolarHBondContact O-N 2.99Å; I115-I118 PolarHBondContact O-N 2.88Å; I115-F119 PolarHBondContact O-N 3.4Å
116M93.4Very high92.9Very high16 Ų1641.4 Ų41.48%0.07920%0.201CC..Hα-helixtrans-66.3-38.5-179.4-68-62.5-69.300111.5V112 Q113 E114 I118 F119 G120 I226 F227V112-M116 HydrophobicContact CG1-CG 4.11Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.24Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 2.77Å; Q113-M116 PolarHBondContact O-N 3.4Å; E114-M116 PolarHBondContact O-N 2.9Å; M116-I118 PolarHBondContact O-N 3.38Å; M116-F119 PolarHBondContact O-N 2.77Å; M116-G120 PolarHBondContact O-N 2.79Å; M116-I226 CarbonylContact C-O 3.52Å; M116-I226 HydrophobicContact CB-CG1 4.39Å; M116-I226 WeakPolarHBondContact CB-O 3.3Å; M116-I226 HydrophobicContact CE-CD1 3.96Å; M116-I226 HydrophobicContact CE-CG1 3.77Å; M116-F227 HydrophobicContact CE-CE1 3.95Å; M116-F227 HydrophobicContact CE-CZ 4.37Å; M116-F227 VanDerWaalsContact O-CD1 3.24Å; M116-F227 WeakPolarHBondContact O-CD1 3.38Å; M116-F227 WeakPolarHBondContact O-CE1 3.38Å
117S94.4Very high93.4Very high34 Ų3435.1 Ų35.124%0.23818%0.177CC..Hα-helixtrans-60.1-45.6175.3-175.90000112.2Q113 E114 F119 G120 D121Q113-S117 VanDerWaalsContact O-CB 3.25Å; Q113-S117 WeakPolarHBondContact O-CB 3.15Å; Q113-S117 PolarHBondContact O-N 2.96Å; E114-S117 PolarHBondContact O-N 3.19Å; S117-F119 PolarHBondContact O-N 2.77Å; S117-G120 WeakPolarHBondContact O-CA 3.42Å; S117-G120 PolarHBondContact O-N 3.12Å; S117-D121 PolarHBondContact O-N 3.33Å
118I93.5Very high93.8Very high51 Ų5136.5 Ų36.526%0.26218%0.179SC..Hα-helixtrans-66.1-41.2177.7-56160.8000110.9F89 E114 I115 M116 G120 D121 I122F89-I118 HydrophobicContact CE2-CB 4.48Å; F89-I118 HydrophobicContact CE2-CG2 3.37Å; F89-I118 HydrophobicContact CZ-CB 4.12Å; F89-I118 HydrophobicContact CZ-CG2 3.38Å; E114-I118 HydrophobicContact CG-CD1 4.37Å; E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 2.67Å; I115-I118 PolarHBondContact O-N 2.88Å; M116-I118 PolarHBondContact O-N 3.38Å; I118-G120 VanDerWaalsContact C-N 3.3Å; I118-G120 PolarHBondContact O-N 3.31Å; I118-D121 PolarHBondContact O-N 3.36Å; I118-I122 PolarHBondContact O-N 2.75Å
119F93.2Very high94.1Very high38 Ų3837 Ų3717%0.16718%0.184CC..Hα-helixtrans-60.9-40.1172.9172.2-94.5000112I115 M116 S117 D121 I122 T123 I153 F154 F227I115-F119 PolarHBondContact O-N 3.4Å; M116-F119 PolarHBondContact O-N 2.77Å; S117-F119 PolarHBondContact O-N 2.77Å; F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 3.29Å; F119-I122 PolarHBondContact O-N 3.32Å; F119-T123 HydrophobicContact CD1-CG2 4.26Å; F119-T123 HydrophobicContact CD2-CG2 4.42Å; F119-T123 HydrophobicContact CE1-CG2 3.75Å; F119-T123 HydrophobicContact CE2-CG2 3.94Å; F119-T123 HydrophobicContact CZ-CG2 3.58Å; F119-T123 WeakPolarHBondContact O-CG2 3.46Å; F119-T123 PolarHBondContact O-N 2.81Å; F119-T123 PolarHBondContact O-OG1 3.35Å; F119-I153 HydrophobicContact CE1-CG2 4.06Å; F119-I153 WeakPolarHBondContact CE1-O 3.36Å; F119-I153 HydrophobicContact CZ-CG2 4.32Å; F119-F154 HydrophobicContact CE2-CD1 4.27Å; F119-F154 AromaticContact CE2-CE1 3.71Å; F119-F154 HydrophobicContact CE2-CE1 3.71Å; F119-F154 HydrophobicContact CE2-CZ 4.18Å; F119-F154 AromaticContact CZ-CD1 3.63Å; F119-F154 HydrophobicContact CZ-CD1 3.63Å; F119-F154 AromaticContact CZ-CE1 3.41Å; F119-F154 HydrophobicContact CZ-CE1 3.41Å; F119-F154 VanDerWaalsContact CZ-CE1 3.41Å; F119-F154 HydrophobicContact CZ-CE2 4.36Å; F119-F154 HydrophobicContact CZ-CG 4.21Å; F119-F154 AromaticContact CZ-CZ 3.8Å; F119-F154 HydrophobicContact CZ-CZ 3.8Å; F119-F227 AromaticContact CD1-CE1 3.91Å; F119-F227 HydrophobicContact CD1-CE1 3.91Å; F119-F227 HydrophobicContact CD1-CZ 4.25Å; F119-F227 HydrophobicContact CE1-CE1 4.42Å; F119-F227 HydrophobicContact CE1-CZ 4.31Å
120G95.3Very high94.3Very high1 Ų136.9 Ų36.91%0.0118%0.183CC..Hα-helixtrans-59.7-39.517300000113M116 S117 I118 T123 R124 W232M116-G120 PolarHBondContact O-N 2.79Å; S117-G120 WeakPolarHBondContact O-CA 3.42Å; S117-G120 PolarHBondContact O-N 3.12Å; I118-G120 VanDerWaalsContact C-N 3.3Å; I118-G120 PolarHBondContact O-N 3.31Å; G120-T123 WeakPolarHBondContact CA-OG1 3.35Å; G120-T123 PolarHBondContact O-OG1 2.96Å; G120-T123 VanDerWaalsContact O-OG1 3.05Å; G120-R124 VanDerWaalsContact O-CB 3.25Å; G120-R124 WeakPolarHBondContact O-CB 3.24Å; G120-R124 PolarHBondContact O-N 3.1Å; G120-W232 VanDerWaalsContact O-CZ2 3.31Å; G120-W232 WeakPolarHBondContact O-CZ2 3.32Å
121D95Very high94.6Very high51 Ų5134.7 Ų34.727%0.27317%0.167SC..Hα-helixtrans-66.2-38.3177-84-19.4000112.4S117 I118 F119 R124 K125 K231S117-D121 PolarHBondContact O-N 3.33Å; I118-D121 PolarHBondContact O-N 3.36Å; F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 3.29Å; D121-R124 IonicContact OD1-CZ 3.94Å; D121-R124 IonicContact OD1-NH1 2.97Å; D121-R124 PolarHBondContact OD1-NH1 3.35Å; D121-R124 IonicContact OD1-NH2 2.74Å; D121-R124 PolarHBondContact OD1-NH2 3.03Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 PolarHBondContact O-N 3.06Å; D121-K231 IonicContact OD1-NZ 3.64Å
122I93.6Very high94.9Very high25 Ų2536.2 Ų36.213%0.12818%0.183CC..Hα-helixtrans-71.3-46.7177.6-67.8173.9000111.3L81 L86 F89 I118 F119 R124 K125 F126L81-I122 HydrophobicContact CD2-CG2 4.16Å; L86-I122 HydrophobicContact CD1-CG2 4.24Å; F89-I122 HydrophobicContact CD1-CD1 3.28Å; F89-I122 HydrophobicContact CD2-CD1 3.7Å; F89-I122 HydrophobicContact CE1-CD1 3.2Å; F89-I122 HydrophobicContact CE2-CD1 3.61Å; F89-I122 HydrophobicContact CG-CD1 3.55Å; F89-I122 HydrophobicContact CZ-CD1 3.37Å; I118-I122 PolarHBondContact O-N 2.75Å; F119-I122 PolarHBondContact O-N 3.32Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.52Å; I122-K125 WeakPolarHBondContact O-CA 3.27Å; I122-K125 WeakPolarHBondContact O-CB 3.28Å; I122-K125 PolarHBondContact O-N 3.34Å; I122-K125 VanDerWaalsContact O-N 3.09Å; I122-F126 HydrophobicContact CG2-CD2 4.25Å; I122-F126 HydrophobicContact CG2-CE1 4.38Å; I122-F126 HydrophobicContact CG2-CE2 3.69Å; I122-F126 HydrophobicContact CG2-CZ 3.77Å; I122-F126 PolarHBondContact O-N 3.3Å
123T94.5Very high95.1Very high5 Ų538.6 Ų38.63%0.03120%0.195CC..Hα-helixtrans-62.3-39.8177.348.50000111.3F119 G120 K125 F126 C127 F154F119-T123 HydrophobicContact CD1-CG2 4.26Å; F119-T123 HydrophobicContact CD2-CG2 4.42Å; F119-T123 HydrophobicContact CE1-CG2 3.75Å; F119-T123 HydrophobicContact CE2-CG2 3.94Å; F119-T123 HydrophobicContact CZ-CG2 3.58Å; F119-T123 WeakPolarHBondContact O-CG2 3.46Å; F119-T123 PolarHBondContact O-N 2.81Å; F119-T123 PolarHBondContact O-OG1 3.35Å; G120-T123 WeakPolarHBondContact CA-OG1 3.35Å; G120-T123 PolarHBondContact O-OG1 2.96Å; G120-T123 VanDerWaalsContact O-OG1 3.05Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact O-N 3.28Å; T123-F126 PolarHBondContact O-N 3.5Å; T123-C127 PolarHBondContact O-N 2.75Å; T123-F154 HydrophobicContact CG2-CD1 4.14Å
124R96.8Very high95.3Very high47 Ų4744.9 Ų44.918%0.17722%0.222CC..Hα-helixtrans-59.5-41.8171.5-167.7-179.564.2-119.3-8.9111.9G120 D121 I122 C127 K128 K231 W232 F235G120-R124 VanDerWaalsContact O-CB 3.25Å; G120-R124 WeakPolarHBondContact O-CB 3.24Å; G120-R124 PolarHBondContact O-N 3.1Å; D121-R124 IonicContact OD1-CZ 3.94Å; D121-R124 IonicContact OD1-NH1 2.97Å; D121-R124 PolarHBondContact OD1-NH1 3.35Å; D121-R124 IonicContact OD1-NH2 2.74Å; D121-R124 PolarHBondContact OD1-NH2 3.03Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.52Å; R124-C127 PolarHBondContact O-N 3.33Å; R124-K128 WeakPolarHBondContact O-CB 3.34Å; R124-K128 PolarHBondContact O-N 3.38Å; R124-K231 VanDerWaalsContact NH1-CD 3.29Å; R124-W232 HydrophobicContact CB-CD2 4.2Å; R124-W232 HydrophobicContact CB-CE3 4.4Å; R124-W232 HydrophobicContact CB-CH2 3.72Å; R124-W232 HydrophobicContact CB-CZ2 3.47Å; R124-W232 VanDerWaalsContact CB-CZ2 3.47Å; R124-W232 HydrophobicContact CB-CZ3 4.18Å; R124-W232 HydrophobicContact CG-CD2 4.11Å; R124-W232 HydrophobicContact CG-CE3 4.09Å; R124-W232 HydrophobicContact CG-CH2 4.21Å; R124-W232 HydrophobicContact CG-CZ2 4.22Å; R124-W232 HydrophobicContact CG-CZ3 4.14Å; R124-W232 VanDerWaalsContact N-CZ2 3.32Å; R124-F235 HydrophobicContact CG-CD1 3.83Å; R124-F235 HydrophobicContact CG-CE1 4.29Å; R124-F235 HydrophobicContact CG-CG 4.27Å
125K95.5Very high95.4Very high71 Ų7148.9 Ų48.931%0.30924%0.238SC..Hα-helixtrans-61.5-44.4177178.4176.1168.358.10111.6S80 L81 D121 I122 T123 C127 K128 D129S80-K125 WeakPolarHBondContact OG-CE 3.46Å; S80-K125 PolarHBondContact OG-NZ 2.95Å; L81-K125 HydrophobicContact CD1-CD 3.72Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 PolarHBondContact O-N 3.06Å; I122-K125 WeakPolarHBondContact O-CA 3.27Å; I122-K125 WeakPolarHBondContact O-CB 3.28Å; I122-K125 PolarHBondContact O-N 3.34Å; I122-K125 VanDerWaalsContact O-N 3.09Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact O-N 3.28Å; K125-C127 VanDerWaalsContact C-N 3.35Å; K125-C127 PolarHBondContact O-N 3.39Å; K125-K128 WeakPolarHBondContact O-CB 3.33Å; K125-K128 PolarHBondContact O-N 2.94Å; K125-D129 VanDerWaalsContact O-CG 3.29Å; K125-D129 PolarHBondContact O-N 3.33Å
126F95.7Very high95.6Very high19 Ų1949.3 Ų49.38%0.08324%0.239CC..Hα-helixtrans-61.3-43.5174.6-66.6-24.1000112.4W29 A60 Y77 T79 L81 L86 I122 T123 K128 D129 V130W29-F126 HydrophobicContact CZ2-CB 4.49Å; A60-F126 HydrophobicContact CB-CZ 4.48Å; Y77-F126 HydrophobicContact CE2-CB 4.43Å; T79-F126 HydrophobicContact CG2-CD1 4.26Å; T79-F126 HydrophobicContact CG2-CE1 3.9Å; T79-F126 WeakPolarHBondContact OG1-CD1 3.46Å; L81-F126 HydrophobicContact CB-CE1 4.18Å; L81-F126 HydrophobicContact CD1-CE1 4.43Å; L81-F126 HydrophobicContact CD2-CE1 4.06Å; L81-F126 HydrophobicContact CD2-CZ 4Å; L81-F126 HydrophobicContact CG-CE1 4.46Å; L86-F126 HydrophobicContact CD1-CE2 4.17Å; L86-F126 HydrophobicContact CD1-CZ 3.99Å; L86-F126 HydrophobicContact CD2-CE2 4.19Å; L86-F126 HydrophobicContact CD2-CZ 4.01Å; I122-F126 HydrophobicContact CG2-CD2 4.25Å; I122-F126 HydrophobicContact CG2-CE1 4.38Å; I122-F126 HydrophobicContact CG2-CE2 3.69Å; I122-F126 HydrophobicContact CG2-CZ 3.77Å; I122-F126 PolarHBondContact O-N 3.3Å; T123-F126 PolarHBondContact O-N 3.5Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 2.94Å; F126-D129 PolarHBondContact O-N 3.44Å; F126-V130 PolarHBondContact O-N 3.23Å; F126-V130 VanDerWaalsContact O-N 3.15Å
127C97.3Very high95.7Very high0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-59.9-45175-165.60000111.5T123 R124 K125 D129 V130 V131 C156 F235T123-C127 PolarHBondContact O-N 2.75Å; R124-C127 PolarHBondContact O-N 3.33Å; K125-C127 VanDerWaalsContact C-N 3.35Å; K125-C127 PolarHBondContact O-N 3.39Å; C127-D129 PolarHBondContact O-N 2.91Å; C127-V130 PolarHBondContact O-N 2.89Å; C127-V131 WeakPolarHBondContact O-CG2 3.22Å; C127-V131 PolarHBondContact O-N 3.13Å; C127-C156 WeakPolarHBondContact CA-SG 3.46Å; C127-C156 HydrophobicContact CB-CB 3.54Å; C127-C156 WeakPolarHBondContact CB-SG 3.48Å; C127-C156 WeakPolarHBondContact SG-CA 3.37Å; C127-C156 WeakPolarHBondContact SG-CB 3.49Å; C127-C156 CovalentContact SG-SG 2.04Å; C127-C156 PolarHBondContact SG-SG 3.35Å; C127-F235 HydrophobicContact CB-CE1 4.02Å; C127-F235 HydrophobicContact CB-CZ 4.36Å
128K97.1Very high95.9Very high115 Ų11553.8 Ų53.850%0.526%0.255SS..Hα-helixtrans-58.9-44.9176.3-175.3172.7-179.2171.20112.5R124 K125 F126 V130 S132 F235R124-K128 WeakPolarHBondContact O-CB 3.34Å; R124-K128 PolarHBondContact O-N 3.38Å; K125-K128 WeakPolarHBondContact O-CB 3.33Å; K125-K128 PolarHBondContact O-N 2.94Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 2.94Å; K128-V130 VanDerWaalsContact C-N 3.28Å; K128-V130 PolarHBondContact O-N 3.06Å; K128-S132 WeakPolarHBondContact O-CB 3.3Å; K128-S132 PolarHBondContact O-N 3.33Å; K128-S132 PolarHBondContact O-OG 2.04Å; K128-F235 HydrophobicContact CB-CE2 3.86Å; K128-F235 HydrophobicContact CB-CZ 3.92Å; K128-F235 HydrophobicContact CG-CE2 4.01Å
129D95.9Very high96Very high39 Ų3956 Ų5621%0.20926%0.262CS..Hα-helixtrans-60.9-38.8179.3-70.3-14.4000111.1T79 K125 F126 C127 N133T79-D129 WeakPolarHBondContact CA-OD2 3.33Å; T79-D129 VanDerWaalsContact CB-OD2 3.28Å; T79-D129 WeakPolarHBondContact CB-OD2 3.5Å; T79-D129 PolarHBondContact OG1-OD2 3.47Å; K125-D129 VanDerWaalsContact O-CG 3.29Å; K125-D129 PolarHBondContact O-N 3.33Å; F126-D129 PolarHBondContact O-N 3.44Å; C127-D129 PolarHBondContact O-N 2.91Å; D129-N133 WeakPolarHBondContact O-CB 3.02Å; D129-N133 PolarHBondContact O-N 3.03Å
130V96.6Very high96.1Very high0 Ų054.4 Ų54.40%026%0.256CS..Hα-helixtrans-67.5-58175.5171.50000111.7W29 Y77 F126 C127 K128 S132 N133 F136 M137 L160W29-V130 HydrophobicContact CH2-CB 4.48Å; W29-V130 HydrophobicContact CH2-CG2 3.89Å; W29-V130 HydrophobicContact CZ3-CG2 3.97Å; Y77-V130 HydrophobicContact CD1-CG2 3.57Å; Y77-V130 HydrophobicContact CD2-CG2 3.38Å; Y77-V130 HydrophobicContact CE1-CG2 3.64Å; Y77-V130 HydrophobicContact CE2-CG2 3.47Å; Y77-V130 VanDerWaalsContact CE2-CG2 3.47Å; Y77-V130 HydrophobicContact CG-CG2 3.44Å; Y77-V130 VanDerWaalsContact CG-CG2 3.44Å; F126-V130 PolarHBondContact O-N 3.23Å; F126-V130 VanDerWaalsContact O-N 3.15Å; C127-V130 PolarHBondContact O-N 2.89Å; K128-V130 VanDerWaalsContact C-N 3.28Å; K128-V130 PolarHBondContact O-N 3.06Å; V130-S132 VanDerWaalsContact C-N 3.26Å; V130-S132 PolarHBondContact O-N 3.29Å; V130-N133 PolarHBondContact O-N 3.21Å; V130-F136 HydrophobicContact CG1-CD1 4.05Å; V130-F136 HydrophobicContact CG1-CE1 3.99Å; V130-M137 HydrophobicContact CG1-SD 3.75Å; V130-M137 WeakPolarHBondContact O-CG 3.41Å; V130-L160 HydrophobicContact CG1-CD2 4.23Å
131V97.2Very high96.2Very high21 Ų2159.6 Ų59.613%0.12728%0.28CS..Hα-helixtrans-67-28.6-173.4-57.90000112.7C127 N133 L159 L160 L163 F235 V239C127-V131 WeakPolarHBondContact O-CG2 3.22Å; C127-V131 PolarHBondContact O-N 3.13Å; V131-N133 VanDerWaalsContact C-N 3.29Å; V131-N133 PolarHBondContact O-N 2.99Å; V131-L159 HydrophobicContact CG1-CD2 4Å; V131-L160 HydrophobicContact CG1-CD2 4.23Å; V131-L163 HydrophobicContact CG1-CD1 4.13Å; V131-F235 HydrophobicContact CG2-CE2 4.03Å; V131-F235 HydrophobicContact CG2-CZ 3.73Å; V131-V239 HydrophobicContact CB-CG1 4.32Å; V131-V239 HydrophobicContact CG2-CG1 4.38Å; V131-V239 HydrophobicContact CG2-CG2 3.92Å
132S96.3Very high96.3Very high76 Ų7663 Ų6353%0.53129%0.294SS..Hα-helixtrans-73.9-22.6176.2-55.80000112.3K128 V130 K134K128-S132 WeakPolarHBondContact O-CB 3.3Å; K128-S132 PolarHBondContact O-N 3.33Å; K128-S132 PolarHBondContact O-OG 2.04Å; V130-S132 VanDerWaalsContact C-N 3.26Å; V130-S132 PolarHBondContact O-N 3.29Å; S132-K134 PolarHBondContact O-N 3.39Å; S132-K134 VanDerWaalsContact O-N 3.08Å
133N96.6Very high96.4Very high51 Ų5163.2 Ų63.227%0.27330%0.298SS..  trans-83.484178.8-171.6-20.5000111D129 V130 V131 K135 F136 M137D129-N133 WeakPolarHBondContact O-CB 3.02Å; D129-N133 PolarHBondContact O-N 3.03Å; V130-N133 PolarHBondContact O-N 3.21Å; V131-N133 VanDerWaalsContact C-N 3.29Å; V131-N133 PolarHBondContact O-N 2.99Å; N133-K135 PolarHBondContact O-N 2.91Å; N133-K135 VanDerWaalsContact O-N 3.15Å; N133-K135 PolarHBondContact OD1-N 3.43Å; N133-F136 HydrophobicContact CB-CB 3.9Å; N133-F136 WeakPolarHBondContact O-CB 3.39Å; N133-F136 PolarHBondContact O-N 3.45Å; N133-F136 WeakPolarHBondContact OD1-CB 3.41Å; N133-F136 PolarHBondContact OD1-N 3.49Å; N133-M137 PolarHBondContact O-N 3.3Å
134K96.2Very high96.4Very high180 Ų18072.7 Ų72.778%0.78333%0.333SS*.Hα-helixtrans-54.1-36.1-178.5-63.3-175.4179.6-177.60113.9S132 K138S132-K134 PolarHBondContact O-N 3.39Å; S132-K134 VanDerWaalsContact O-N 3.08Å; K134-K138 VanDerWaalsContact O-CB 3.24Å; K134-K138 WeakPolarHBondContact O-CB 3.42Å; K134-K138 PolarHBondContact O-N 2.91Å
135K96.6Very high96.5Very high180 Ų18071.1 Ų71.178%0.78333%0.328SS*.Hα-helixtrans-67.4-44.1178.5-176.4-178.5177.7-176.50110.7N133 K139N133-K135 PolarHBondContact O-N 2.91Å; N133-K135 VanDerWaalsContact O-N 3.15Å; N133-K135 PolarHBondContact OD1-N 3.43Å; K135-K139 PolarHBondContact O-N 3.24Å; K135-K139 VanDerWaalsContact O-N 3.1Å
136F95.9Very high96.6Very high15 Ų1572 Ų727%0.06634%0.336CS..Hα-helixtrans-66.4-49176.9-174.7-97.5000111.5L56 Y77 V130 N133 K138 K139 V140L56-F136 HydrophobicContact CD1-CE1 4.4Å; L56-F136 HydrophobicContact CD2-CE1 4.39Å; L56-F136 HydrophobicContact CD2-CZ 3.93Å; Y77-F136 HydrophobicContact CD1-CE1 4.42Å; Y77-F136 HydrophobicContact CD1-CZ 4.22Å; Y77-F136 HydrophobicContact CG-CZ 4.43Å; V130-F136 HydrophobicContact CG1-CD1 4.05Å; V130-F136 HydrophobicContact CG1-CE1 3.99Å; N133-F136 HydrophobicContact CB-CB 3.9Å; N133-F136 WeakPolarHBondContact O-CB 3.39Å; N133-F136 PolarHBondContact O-N 3.45Å; N133-F136 WeakPolarHBondContact OD1-CB 3.41Å; N133-F136 PolarHBondContact OD1-N 3.49Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.3Å; F136-K139 WeakPolarHBondContact O-CB 3.48Å; F136-K139 PolarHBondContact O-N 2.69Å; F136-V140 HydrophobicContact CD1-CG2 4.01Å; F136-V140 HydrophobicContact CE1-CG2 3.66Å; F136-V140 HydrophobicContact CE2-CG2 4.48Å; F136-V140 HydrophobicContact CZ-CG2 3.93Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 3.04Å
137M97.3Very high96.7Very high21 Ų2172.8 Ų72.810%0.10334%0.342CS..Hα-helixtrans-55.7-44.3176.7-73.7-61.3-69.500112.3V130 N133 K139 V140 Q141 L160 L163 F164V130-M137 HydrophobicContact CG1-SD 3.75Å; V130-M137 WeakPolarHBondContact O-CG 3.41Å; N133-M137 PolarHBondContact O-N 3.3Å; M137-K139 PolarHBondContact O-N 3.44Å; M137-V140 PolarHBondContact O-N 3.16Å; M137-Q141 WeakPolarHBondContact O-CB 3.38Å; M137-Q141 PolarHBondContact O-N 3.36Å; M137-L160 HydrophobicContact CE-CD2 3.7Å; M137-L160 HydrophobicContact SD-CD2 3.82Å; M137-L163 HydrophobicContact CE-CB 4.44Å; M137-L163 HydrophobicContact CE-CD1 3.71Å; M137-F164 HydrophobicContact CE-CE1 3.58Å; M137-F164 HydrophobicContact CE-CE2 4.44Å; M137-F164 HydrophobicContact CE-CZ 3.44Å; M137-F164 VanDerWaalsContact CE-CZ 3.44Å; M137-F164 HydrophobicContact SD-CZ 4.05Å
138K97.1Very high96.7Very high124 Ų12472.8 Ų72.854%0.53934%0.342SS..Hα-helixtrans-61.4-44.3175.4-177.6172.51741760112K134 F136 V140 Q141 E142K134-K138 VanDerWaalsContact O-CB 3.24Å; K134-K138 WeakPolarHBondContact O-CB 3.42Å; K134-K138 PolarHBondContact O-N 2.91Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.3Å; K138-V140 PolarHBondContact O-N 2.59Å; K138-Q141 PolarHBondContact O-N 3.33Å; K138-E142 WeakPolarHBondContact CE-OE1 3.22Å; K138-E142 HydrophobicContact CG-CG 4.31Å; K138-E142 IonicContact NZ-OE1 3.15Å; K138-E142 WeakPolarHBondContact O-CB 3.42Å; K138-E142 VanDerWaalsContact O-CG 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 3.43Å
139K96.3Very high96.8Very high96 Ų9667.8 Ų67.842%0.41732%0.32SS..Hα-helixtrans-59.2-45.9176.1-178.9-170.2173.6-170.80111.8E75 K135 F136 M137 S143E75-K139 WeakPolarHBondContact OE1-CE 3.44Å; E75-K139 IonicContact OE1-NZ 2.66Å; E75-K139 PolarHBondContact OE1-NZ 2.85Å; E75-K139 IonicContact OE2-NZ 2.87Å; E75-K139 PolarHBondContact OE2-NZ 2.82Å; K135-K139 PolarHBondContact O-N 3.24Å; K135-K139 VanDerWaalsContact O-N 3.1Å; F136-K139 WeakPolarHBondContact O-CB 3.48Å; F136-K139 PolarHBondContact O-N 2.69Å; M137-K139 PolarHBondContact O-N 3.44Å; K139-S143 PolarHBondContact O-N 3.08Å; K139-S143 PolarHBondContact O-OG 2.96Å
140V96.5Very high96.8Very high5 Ų565.9 Ų65.93%0.0331%0.31CS..Hα-helixtrans-63.9-46.1178.7176.50000110.2L27 L56 F136 M137 K138 E142 S143 F145 F164L27-V140 HydrophobicContact CD1-CG1 4.29Å; L27-V140 HydrophobicContact CD2-CG1 3.74Å; L56-V140 HydrophobicContact CD1-CG1 4.48Å; L56-V140 HydrophobicContact CD2-CG2 4.17Å; F136-V140 HydrophobicContact CD1-CG2 4.01Å; F136-V140 HydrophobicContact CE1-CG2 3.66Å; F136-V140 HydrophobicContact CE2-CG2 4.48Å; F136-V140 HydrophobicContact CZ-CG2 3.93Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 3.04Å; M137-V140 PolarHBondContact O-N 3.16Å; K138-V140 PolarHBondContact O-N 2.59Å; V140-E142 PolarHBondContact O-N 3.48Å; V140-S143 VanDerWaalsContact O-CB 3.29Å; V140-S143 WeakPolarHBondContact O-CB 3.37Å; V140-S143 PolarHBondContact O-N 2.94Å; V140-F145 HydrophobicContact CG1-CD2 4.21Å; V140-F145 HydrophobicContact CG1-CE2 3.96Å; V140-F164 HydrophobicContact CB-CE2 4.4Å; V140-F164 HydrophobicContact CB-CZ 4.04Å; V140-F164 HydrophobicContact CG1-CE2 3.54Å; V140-F164 HydrophobicContact CG1-CZ 3.68Å
141Q96.1Very high96.8Very high110 Ų11066 Ų6651%0.51431%0.311SS..Hα-helixtrans-61.9-43.1178.1-168.51761100112.8M137 K138 S143 R144 F164M137-Q141 WeakPolarHBondContact O-CB 3.38Å; M137-Q141 PolarHBondContact O-N 3.36Å; K138-Q141 PolarHBondContact O-N 3.33Å; Q141-S143 PolarHBondContact O-N 3.33Å; Q141-R144 PolarHBondContact O-N 3.46Å; Q141-R144 VanDerWaalsContact O-N 3.1Å; Q141-F164 HydrophobicContact CB-CD1 3.86Å; Q141-F164 HydrophobicContact CB-CE1 3.69Å; Q141-F164 HydrophobicContact CG-CD1 3.82Å; Q141-F164 HydrophobicContact CG-CE1 4.16Å
142E96.9Very high96.7Very high122 Ų12265 Ų6557%0.5731%0.305SS*.Hα-helixtrans-64.9-19.9178.3-76174.7167.900113.1K138 V140 R144K138-E142 WeakPolarHBondContact CE-OE1 3.22Å; K138-E142 HydrophobicContact CG-CG 4.31Å; K138-E142 IonicContact NZ-OE1 3.15Å; K138-E142 WeakPolarHBondContact O-CB 3.42Å; K138-E142 VanDerWaalsContact O-CG 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 3.43Å; V140-E142 PolarHBondContact O-N 3.48Å; E142-R144 PolarHBondContact O-N 3.45Å
143S95.7Very high96.7Very high31 Ų3162.1 Ų62.122%0.21728%0.283CS..THydrogen-bonded Turntrans-71.2-16.9175.7-58.50000113K25 K139 V140 Q141 F145K25-S143 WeakPolarHBondContact CD-O 3.4Å; K25-S143 PolarHBondContact NZ-O 3.22Å; K139-S143 PolarHBondContact O-N 3.08Å; K139-S143 PolarHBondContact O-OG 2.96Å; V140-S143 VanDerWaalsContact O-CB 3.29Å; V140-S143 WeakPolarHBondContact O-CB 3.37Å; V140-S143 PolarHBondContact O-N 2.94Å; Q141-S143 PolarHBondContact O-N 3.33Å; S143-F145 VanDerWaalsContact CB-CE2 3.45Å
144R95.7Very high96.6Very high204 Ų20460.7 Ų60.777%0.7728%0.275SS*.  trans52.664.1176.3-61.4-179.5-178.3171.5-0112.4Q141 E142Q141-R144 PolarHBondContact O-N 3.46Å; Q141-R144 VanDerWaalsContact O-N 3.1Å; E142-R144 PolarHBondContact O-N 3.45Å
145F97.6Very high96.6Very high13 Ų1352.1 Ų52.16%0.05724%0.238CC..  trans-67.5145.5173-65.9-76.9000111K25 L27 T54 V140 S143 I166K25-F145 HydrophobicContact CB-CD1 3.84Å; K25-F145 HydrophobicContact CB-CE1 4.46Å; L27-F145 HydrophobicContact CB-CB 4.03Å; L27-F145 HydrophobicContact CB-CD1 3.82Å; L27-F145 HydrophobicContact CB-CD2 3.98Å; L27-F145 HydrophobicContact CB-CE1 4.29Å; L27-F145 HydrophobicContact CB-CE2 4.42Å; L27-F145 HydrophobicContact CB-CG 3.66Å; L27-F145 HydrophobicContact CD1-CD1 4.48Å; L27-F145 HydrophobicContact CD1-CD2 4.01Å; L27-F145 HydrophobicContact CD1-CE1 4.18Å; L27-F145 HydrophobicContact CD1-CE2 3.66Å; L27-F145 HydrophobicContact CD1-CG 4.41Å; L27-F145 HydrophobicContact CD1-CZ 3.77Å; L27-F145 HydrophobicContact CD2-CD2 4.08Å; L27-F145 HydrophobicContact CD2-CE2 4.44Å; L27-F145 HydrophobicContact CG-CD2 4.26Å; L27-F145 HydrophobicContact CG-CE2 4.4Å; L27-F145 HydrophobicContact CG-CG 4.44Å; T54-F145 HydrophobicContact CG2-CE1 4.42Å; T54-F145 HydrophobicContact CG2-CZ 3.95Å; V140-F145 HydrophobicContact CG1-CD2 4.21Å; V140-F145 HydrophobicContact CG1-CE2 3.96Å; S143-F145 VanDerWaalsContact CB-CE2 3.45Å; F145-I166 HydrophobicContact CB-CD1 4.03Å; F145-I166 WeakPolarHBondContact O-CG2 3.2Å
146D97.4Very high96.6Very high89 Ų8943.6 Ų43.648%0.47620%0.2SC..SBendtrans-91-28.3-179.4-60.7-62.7000111.8G24 K25 P167G24-D146 WeakPolarHBondContact CA-OD2 3.18Å; K25-D146 PolarHBondContact N-OD2 3.13Å; K25-D146 PolarHBondContact O-N 2.76Å; D146-P167 VanDerWaalsContact O-CD 3.32Å; D146-P167 WeakPolarHBondContact O-CD 3.41Å; D146-P167 VanDerWaalsContact O-CG 3.24Å; D146-P167 WeakPolarHBondContact O-CG 3.34Å
147V97.9Very high96.7Very high36 Ų3642.9 Ų42.922%0.21820%0.197CC..EExtended strand (participates in β ladder)trans-154.2148.1-179.164.30000111.1K25 V26 L27 P167 V169K25-V147 PolarHBondContact O-N 3.14Å; V26-V147 WeakPolarHBondContact CA-O 3.07Å; V26-V147 HydrophobicContact CB-CG1 4.36Å; V26-V147 HydrophobicContact CG1-CG1 4.23Å; V26-V147 HydrophobicContact CG2-CG1 3.87Å; L27-V147 PolarHBondContact N-O 2.86Å; V147-P167 WeakPolarHBondContact CA-O 3.43Å; V147-P167 HydrophobicContact CB-CG 4.39Å; V147-P167 HydrophobicContact CG2-CG 4.4Å; V147-V169 HydrophobicContact CG2-CG2 4.07Å
148I98.4Very high96.7Very high1 Ų141.9 Ų41.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-99.7132.2167.9-51-172000109.7L27 S157 L160 A161 I166 P167 F168 V169L27-I148 HydrophobicContact CB-CG1 4.23Å; L27-I148 HydrophobicContact CD2-CD1 4.15Å; L27-I148 HydrophobicContact CD2-CG1 4.27Å; L27-I148 CarbonylContact O-C 3.47Å; L27-I148 VanDerWaalsContact O-CA 3.27Å; L27-I148 WeakPolarHBondContact O-CA 3.39Å; I148-S157 WeakPolarHBondContact CD1-O 3.42Å; I148-L160 HydrophobicContact CD1-CB 3.76Å; I148-A161 HydrophobicContact CD1-CB 3.97Å; I148-I166 HydrophobicContact CD1-CD1 3.96Å; I148-I166 HydrophobicContact CD1-CG1 4.19Å; I148-I166 HydrophobicContact CG1-CD1 3.54Å; I148-I166 HydrophobicContact CG1-CG1 3.95Å; I148-P167 PolarHBondContact N-O 3.18Å; I148-F168 HydrophobicContact CB-CB 3.84Å; I148-F168 CarbonylContact O-C 3.55Å; I148-F168 WeakPolarHBondContact O-CA 3.12Å; I148-F168 WeakPolarHBondContact O-CB 3.28Å; I148-V169 PolarHBondContact O-N 3.42Å
149F97.9Very high96.8Very high9 Ų936 Ų364%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-111.7129.9170.2-176.7-119.6000110.1V26 L27 V28 W29 I39 I42 L43 V169 L257V26-F149 HydrophobicContact CG1-CB 3.93Å; L27-F149 PolarHBondContact O-N 2.96Å; V28-F149 WeakPolarHBondContact CA-O 3.41Å; W29-F149 PolarHBondContact N-O 3.39Å; I39-F149 HydrophobicContact CB-CE1 4.28Å; I39-F149 HydrophobicContact CG1-CE1 4Å; I39-F149 HydrophobicContact CG2-CD1 4.19Å; I39-F149 HydrophobicContact CG2-CE1 3.94Å; I42-F149 HydrophobicContact CB-CE1 4.14Å; I42-F149 HydrophobicContact CB-CZ 4.35Å; I42-F149 HydrophobicContact CD1-CE1 4.09Å; I42-F149 HydrophobicContact CD1-CE2 4.46Å; I42-F149 HydrophobicContact CD1-CZ 3.52Å; I42-F149 HydrophobicContact CG2-CE1 4.04Å; I42-F149 HydrophobicContact CG2-CZ 4.14Å; L43-F149 HydrophobicContact CD2-CD1 3.85Å; L43-F149 HydrophobicContact CD2-CE1 4.38Å; F149-V169 WeakPolarHBondContact CA-O 3.08Å; F149-V169 HydrophobicContact CD2-CB 4.03Å; F149-V169 HydrophobicContact CD2-CG1 3.93Å; F149-V169 WeakPolarHBondContact CD2-O 3.24Å; F149-V169 HydrophobicContact CE2-CG1 4.07Å; F149-L257 HydrophobicContact CE2-CD1 3.97Å
150A96.1Very high96.9Very high0 Ų031.5 Ų31.50%015%0.147CC..EExtended strand (participates in β ladder)trans-148.5160.2-172.400000113.6W29 S157 V169 Y170 S171W29-A150 HydrophobicContact CB-CB 4.23Å; A150-S157 WeakPolarHBondContact CB-OG 3Å; A150-V169 PolarHBondContact N-O 2.91Å; A150-Y170 HydrophobicContact CB-CD1 4.08Å; A150-Y170 HydrophobicContact CB-CE1 4.11Å; A150-Y170 CarbonylContact O-C 3.22Å; A150-Y170 WeakPolarHBondContact O-CA 3.37Å; A150-S171 PolarHBondContact O-N 2.94Å
151D96.3Very high96.9Very high1 Ų131.5 Ų31.51%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-92.7125.1166.7-166.1-58.4000109.9A31 H35 I39 I153 F154 S171 R259A31-D151 HydrophobicContact CB-CB 4.48Å; H35-D151 IonicContact CE1-OD1 3.56Å; H35-D151 IonicContact CE1-OD2 3.13Å; H35-D151 IonicContact CG-OD2 2.63Å; H35-D151 VanDerWaalsContact ND1-CG 3.29Å; H35-D151 IonicContact ND1-OD1 2.63Å; H35-D151 PolarHBondContact ND1-OD1 3.1Å; H35-D151 IonicContact ND1-OD2 2.72Å; H35-D151 PolarHBondContact ND1-OD2 2.99Å; I39-D151 HydrophobicContact CD1-CB 3.75Å; D151-I153 PolarHBondContact O-N 3.48Å; D151-I153 VanDerWaalsContact O-N 3.1Å; D151-I153 VanDerWaalsContact OD1-CB 3.3Å; D151-I153 WeakPolarHBondContact OD1-CB 3.32Å; D151-I153 WeakPolarHBondContact OD1-CG1 3.49Å; D151-I153 PolarHBondContact OD1-N 3.21Å; D151-F154 HydrophobicContact CB-CD2 4.08Å; D151-F154 PolarHBondContact O-N 2.79Å; D151-S171 VanDerWaalsContact CA-O 3.3Å; D151-S171 WeakPolarHBondContact CA-O 3.16Å; D151-R259 IonicContact OD1-NH2 2.75Å; D151-R259 IonicContact OD2-CZ 3.97Å; D151-R259 IonicContact OD2-NH1 2.77Å; D151-R259 PolarHBondContact OD2-NH1 3.19Å; D151-R259 IonicContact OD2-NH2 2.69Å; D151-R259 PolarHBondContact OD2-NH2 3.43Å
152A96Very high97Very high0 Ų028.6 Ų28.60%013%0.134CC..THydrogen-bonded Turntrans-64-17-176.600000113.7F154 Y170 S171 L172 F180 M250 W256A152-F154 PolarHBondContact O-N 3.35Å; A152-Y170 HydrophobicContact CB-CD1 3.84Å; A152-Y170 HydrophobicContact CB-CD2 4.07Å; A152-Y170 HydrophobicContact CB-CE1 4.1Å; A152-Y170 HydrophobicContact CB-CE2 4.27Å; A152-Y170 HydrophobicContact CB-CG 3.85Å; A152-S171 PolarHBondContact N-O 3.32Å; A152-L172 HydrophobicContact CB-CB 4.26Å; A152-L172 HydrophobicContact CB-CD1 4.25Å; A152-L172 HydrophobicContact CB-CD2 4.37Å; A152-F180 WeakPolarHBondContact O-CE2 3.5Å; A152-M250 HydrophobicContact CB-CE 4.02Å; A152-W256 HydrophobicContact CB-CZ3 4.01Å
153I95.4Very high97.1Very high16 Ų1625.6 Ų25.68%0.08212%0.122CC..THydrogen-bonded Turntrans-72.2-17.8173.4-62.2-57.8000112.3F119 D151 P155 L172 F180F119-I153 HydrophobicContact CE1-CG2 4.06Å; F119-I153 WeakPolarHBondContact CE1-O 3.36Å; F119-I153 HydrophobicContact CZ-CG2 4.32Å; D151-I153 PolarHBondContact O-N 3.48Å; D151-I153 VanDerWaalsContact O-N 3.1Å; D151-I153 VanDerWaalsContact OD1-CB 3.3Å; D151-I153 WeakPolarHBondContact OD1-CB 3.32Å; D151-I153 WeakPolarHBondContact OD1-CG1 3.49Å; D151-I153 PolarHBondContact OD1-N 3.21Å; I153-P155 VanDerWaalsContact O-CD 3.32Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å; I153-L172 HydrophobicContact CD1-CD1 3.78Å; I153-L172 HydrophobicContact CG1-CD1 3.79Å; I153-F180 HydrophobicContact CD1-CD2 4.27Å; I153-F180 HydrophobicContact CD1-CE2 4.15Å
154F95.3Very high97.2Very high22 Ų2225.4 Ų25.410%0.09612%0.117CC..SBendtrans-115.982.4-179.4-64.5-101.7000110.2W29 A31 H35 F119 T123 D151 A152W29-F154 PolarHBondContact NE1-O 2.74Å; A31-F154 HydrophobicContact CB-CD2 3.94Å; A31-F154 HydrophobicContact CB-CE2 3.83Å; A31-F154 HydrophobicContact CB-CG 4.42Å; A31-F154 HydrophobicContact CB-CZ 4.2Å; H35-F154 HydrophobicContact CB-CE2 3.89Å; H35-F154 AromaticContact CG-CE2 3.77Å; H35-F154 AromaticContact ND1-CE2 3.85Å; F119-F154 HydrophobicContact CE2-CD1 4.27Å; F119-F154 AromaticContact CE2-CE1 3.71Å; F119-F154 HydrophobicContact CE2-CE1 3.71Å; F119-F154 HydrophobicContact CE2-CZ 4.18Å; F119-F154 AromaticContact CZ-CD1 3.63Å; F119-F154 HydrophobicContact CZ-CD1 3.63Å; F119-F154 AromaticContact CZ-CE1 3.41Å; F119-F154 HydrophobicContact CZ-CE1 3.41Å; F119-F154 VanDerWaalsContact CZ-CE1 3.41Å; F119-F154 HydrophobicContact CZ-CE2 4.36Å; F119-F154 HydrophobicContact CZ-CG 4.21Å; F119-F154 AromaticContact CZ-CZ 3.8Å; F119-F154 HydrophobicContact CZ-CZ 3.8Å; T123-F154 HydrophobicContact CG2-CD1 4.14Å; D151-F154 HydrophobicContact CB-CD2 4.08Å; D151-F154 PolarHBondContact O-N 2.79Å; A152-F154 PolarHBondContact O-N 3.35Å
155P95.6Very high97.2Very high0 Ų022.7 Ų22.70%012%0.118CC..THydrogen-bonded Turntrans-64.4147.5-176.6-14.927.3000112.1I153 E158 F227 W232 L246I153-P155 VanDerWaalsContact O-CD 3.32Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-E158 WeakPolarHBondContact CA-OE1 3.43Å; P155-E158 WeakPolarHBondContact CB-OE1 3.29Å; P155-F227 HydrophobicContact CG-CD2 4.2Å; P155-F227 HydrophobicContact CG-CE2 3.5Å; P155-F227 VanDerWaalsContact CG-CE2 3.5Å; P155-F227 HydrophobicContact CG-CZ 4.36Å; P155-W232 HydrophobicContact CB-CE3 4.48Å; P155-W232 HydrophobicContact CB-CH2 3.67Å; P155-W232 HydrophobicContact CB-CZ2 4.17Å; P155-W232 HydrophobicContact CB-CZ3 3.86Å; P155-W232 HydrophobicContact CG-CH2 4.1Å; P155-W232 HydrophobicContact CG-CZ2 4.1Å; P155-L246 HydrophobicContact CB-CD1 3.85Å; P155-L246 HydrophobicContact CB-CD2 4.34Å; P155-L246 HydrophobicContact CG-CD2 4.23Å
156C97.5Very high97.3Very high0 Ų023.7 Ų23.70%012%0.123CC..THydrogen-bonded Turntrans151.1-30.8169-166.70000109.1W29 C127 E158 L159 L160 Y236W29-C156 HydrophobicContact CD2-CB 4.05Å; W29-C156 HydrophobicContact CE3-CB 4.38Å; W29-C156 HydrophobicContact CH2-CB 3.87Å; W29-C156 HydrophobicContact CZ2-CB 3.47Å; W29-C156 VanDerWaalsContact CZ2-CB 3.47Å; W29-C156 HydrophobicContact CZ3-CB 4.3Å; C127-C156 WeakPolarHBondContact CA-SG 3.46Å; C127-C156 HydrophobicContact CB-CB 3.54Å; C127-C156 WeakPolarHBondContact CB-SG 3.48Å; C127-C156 WeakPolarHBondContact SG-CA 3.37Å; C127-C156 WeakPolarHBondContact SG-CB 3.49Å; C127-C156 CovalentContact SG-SG 2.04Å; C127-C156 PolarHBondContact SG-SG 3.35Å; C156-E158 VanDerWaalsContact C-N 3.31Å; C156-E158 PolarHBondContact N-OE1 3.37Å; C156-E158 PolarHBondContact N-OE2 2.77Å; C156-E158 PolarHBondContact O-N 2.83Å; C156-L159 WeakPolarHBondContact O-CB 3.45Å; C156-L159 PolarHBondContact O-N 2.96Å; C156-L160 WeakPolarHBondContact O-CG 3.4Å; C156-L160 PolarHBondContact O-N 2.98Å; C156-Y236 WeakPolarHBondContact CA-OH 3.47Å; C156-Y236 PolarHBondContact N-OH 3.29Å
157S97.2Very high97.3Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-56.5-41.8-176.446.10000113.7I148 A150 L160 A161 Y170I148-S157 WeakPolarHBondContact CD1-O 3.42Å; A150-S157 WeakPolarHBondContact CB-OG 3Å; S157-L160 WeakPolarHBondContact O-CB 3.38Å; S157-L160 PolarHBondContact O-N 3.32Å; S157-A161 WeakPolarHBondContact O-CB 3.23Å; S157-A161 PolarHBondContact O-N 3Å; S157-Y170 WeakPolarHBondContact OG-CE1 3.32Å
158E97.6Very high97.3Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-67.3-34.4176.661.9-67.4159.300112P155 C156 A161 E162 F168 Y170 Y236 L246 T249 M250P155-E158 WeakPolarHBondContact CA-OE1 3.43Å; P155-E158 WeakPolarHBondContact CB-OE1 3.29Å; C156-E158 VanDerWaalsContact C-N 3.31Å; C156-E158 PolarHBondContact N-OE1 3.37Å; C156-E158 PolarHBondContact N-OE2 2.77Å; C156-E158 PolarHBondContact O-N 2.83Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.16Å; E158-E162 WeakPolarHBondContact O-CG 3.37Å; E158-E162 PolarHBondContact O-N 3.09Å; E158-F168 HydrophobicContact CB-CE1 4.29Å; E158-F168 HydrophobicContact CB-CE2 3.87Å; E158-F168 HydrophobicContact CB-CZ 3.72Å; E158-Y170 WeakPolarHBondContact CB-OH 3.43Å; E158-Y170 WeakPolarHBondContact CG-OH 3.3Å; E158-Y170 PolarHBondContact OE2-OH 2.86Å; E158-Y236 HydrophobicContact CG-CE2 4.02Å; E158-Y236 PolarHBondContact OE1-OH 3.48Å; E158-L246 HydrophobicContact CG-CD1 4.38Å; E158-L246 WeakPolarHBondContact OE1-CD1 3.07Å; E158-T249 WeakPolarHBondContact CG-OG1 2.99Å; E158-M250 HydrophobicContact CG-CG 4.14Å
159L98.4Very high97.3Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-68-41.7171.4-179.863.6000110.9V131 C156 A161 E162 L163 F235 Y236 V239 L240V131-L159 HydrophobicContact CG1-CD2 4Å; C156-L159 WeakPolarHBondContact O-CB 3.45Å; C156-L159 PolarHBondContact O-N 2.96Å; L159-A161 VanDerWaalsContact C-N 3.32Å; L159-E162 PolarHBondContact O-N 2.81Å; L159-L163 HydrophobicContact CD1-CD1 4.48Å; L159-L163 HydrophobicContact CG-CD1 4.15Å; L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.45Å; L159-F235 HydrophobicContact CD2-CE1 3.99Å; L159-F235 HydrophobicContact CD2-CZ 4.26Å; L159-Y236 HydrophobicContact CB-CD2 4.39Å; L159-Y236 HydrophobicContact CB-CE1 4.12Å; L159-Y236 HydrophobicContact CB-CE2 3.91Å; L159-Y236 HydrophobicContact CD1-CD1 4.45Å; L159-Y236 HydrophobicContact CD1-CD2 4.39Å; L159-Y236 HydrophobicContact CD1-CG 4.25Å; L159-Y236 HydrophobicContact CD2-CD1 3.89Å; L159-Y236 HydrophobicContact CD2-CE1 3.74Å; L159-Y236 HydrophobicContact CD2-CG 4.49Å; L159-Y236 HydrophobicContact CG-CE1 4.43Å; L159-V239 HydrophobicContact CD1-CB 4.35Å; L159-V239 HydrophobicContact CD1-CG1 4.06Å; L159-V239 HydrophobicContact CD2-CB 4.32Å; L159-V239 HydrophobicContact CD2-CG1 4.07Å; L159-V239 HydrophobicContact CD2-CG2 4.47Å; L159-V239 HydrophobicContact CG-CG1 4.36Å; L159-L240 HydrophobicContact CD1-CD1 3.88Å; L159-L240 HydrophobicContact CD1-CD2 3.87Å; L159-L240 HydrophobicContact CD1-CG 3.65Å
160L98.3Very high97.3Very high2 Ų221.7 Ų21.71%0.0112%0.116CC..Hα-helixtrans-64-39174-62.9179.6000111.5W29 L56 V130 V131 M137 I148 C156 S157 L163 F164W29-L160 HydrophobicContact CE3-CD1 3.93Å; W29-L160 HydrophobicContact CZ3-CD1 4.07Å; L56-L160 HydrophobicContact CD1-CD1 4Å; V130-L160 HydrophobicContact CG1-CD2 4.23Å; V131-L160 HydrophobicContact CG1-CD2 4.23Å; M137-L160 HydrophobicContact CE-CD2 3.7Å; M137-L160 HydrophobicContact SD-CD2 3.82Å; I148-L160 HydrophobicContact CD1-CB 3.76Å; C156-L160 WeakPolarHBondContact O-CG 3.4Å; C156-L160 PolarHBondContact O-N 2.98Å; S157-L160 WeakPolarHBondContact O-CB 3.38Å; S157-L160 PolarHBondContact O-N 3.32Å; L160-L163 PolarHBondContact O-N 2.86Å; L160-F164 HydrophobicContact CB-CD2 4.24Å; L160-F164 HydrophobicContact CB-CE2 4.02Å; L160-F164 HydrophobicContact CD2-CE2 4.22Å; L160-F164 HydrophobicContact CD2-CZ 4.37Å; L160-F164 WeakPolarHBondContact O-CB 3.36Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 VanDerWaalsContact O-CG 3.3Å; L160-F164 WeakPolarHBondContact O-CG 3.43Å; L160-F164 PolarHBondContact O-N 2.87Å
161A98.2Very high97.3Very high5 Ų521.7 Ų21.74%0.04112%0.116CC..Hα-helixtrans-61-44.9176.300000111.3I148 S157 E158 L159 N165 I166 F168I148-A161 HydrophobicContact CD1-CB 3.97Å; S157-A161 WeakPolarHBondContact O-CB 3.23Å; S157-A161 PolarHBondContact O-N 3Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.32Å; A161-N165 VanDerWaalsContact O-CA 3.24Å; A161-N165 WeakPolarHBondContact O-CA 3.28Å; A161-N165 PolarHBondContact O-N 3.4Å; A161-I166 WeakPolarHBondContact CB-O 3.38Å; A161-I166 PolarHBondContact O-N 3.43Å; A161-I166 VanDerWaalsContact O-N 3.15Å; A161-F168 HydrophobicContact CB-CB 4.04Å; A161-F168 HydrophobicContact CB-CD1 3.57Å; A161-F168 HydrophobicContact CB-CE1 4.28Å; A161-F168 HydrophobicContact CB-CG 4Å
162E98Very high97.3Very high50 Ų5021.7 Ų21.723%0.23412%0.116CC..Hα-helixtrans-61.4-45.6173.5-77-86.1-176.400112.4E158 L159 F164 N165 L240 R242 T249 K252E158-E162 WeakPolarHBondContact O-CG 3.37Å; E158-E162 PolarHBondContact O-N 3.09Å; L159-E162 PolarHBondContact O-N 2.81Å; E162-F164 PolarHBondContact O-N 3.22Å; E162-N165 PolarHBondContact O-N 3.46Å; E162-L240 HydrophobicContact CB-CD1 4.43Å; E162-L240 HydrophobicContact CB-CD2 3.87Å; E162-R242 VanDerWaalsContact CD-NH2 3.28Å; E162-R242 IonicContact OE1-NH2 3.95Å; E162-R242 PolarHBondContact OE1-NH2 3.41Å; E162-R242 IonicContact OE2-CZ 3.95Å; E162-R242 IonicContact OE2-NH2 3.41Å; E162-R242 PolarHBondContact OE2-NH2 2.93Å; E162-T249 HydrophobicContact CG-CG2 4.21Å; E162-K252 WeakPolarHBondContact OE1-CD 3.4Å; E162-K252 WeakPolarHBondContact OE1-CE 3.26Å; E162-K252 IonicContact OE1-NZ 3.09Å; E162-K252 PolarHBondContact OE1-NZ 3.07Å
163L98Very high97.1Very high58 Ų5823.2 Ų23.230%0.30413%0.127SC..Hα-helixtrans-67.5-35.1-179-72.3169.8000113.1V131 M137 L159 L160 V239 L240V131-L163 HydrophobicContact CG1-CD1 4.13Å; M137-L163 HydrophobicContact CE-CB 4.44Å; M137-L163 HydrophobicContact CE-CD1 3.71Å; L159-L163 HydrophobicContact CD1-CD1 4.48Å; L159-L163 HydrophobicContact CG-CD1 4.15Å; L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.45Å; L160-L163 PolarHBondContact O-N 2.86Å; L163-V239 HydrophobicContact CD1-CG1 3.96Å; L163-V239 HydrophobicContact CD2-CG1 4.25Å; L163-L240 HydrophobicContact CD2-CD2 3.85Å; L163-L240 HydrophobicContact CG-CD2 4.1Å
164F97.8Very high97Very high27 Ų2726.4 Ų26.412%0.11814%0.14CC..Hα-helixtrans-93.5-10.4179.6-57.9-33.7000113.3L27 M137 V140 Q141 L160 E162 I166L27-F164 HydrophobicContact CD2-CE2 4.22Å; M137-F164 HydrophobicContact CE-CE1 3.58Å; M137-F164 HydrophobicContact CE-CE2 4.44Å; M137-F164 HydrophobicContact CE-CZ 3.44Å; M137-F164 VanDerWaalsContact CE-CZ 3.44Å; M137-F164 HydrophobicContact SD-CZ 4.05Å; V140-F164 HydrophobicContact CB-CE2 4.4Å; V140-F164 HydrophobicContact CB-CZ 4.04Å; V140-F164 HydrophobicContact CG1-CE2 3.54Å; V140-F164 HydrophobicContact CG1-CZ 3.68Å; Q141-F164 HydrophobicContact CB-CD1 3.86Å; Q141-F164 HydrophobicContact CB-CE1 3.69Å; Q141-F164 HydrophobicContact CG-CD1 3.82Å; Q141-F164 HydrophobicContact CG-CE1 4.16Å; L160-F164 HydrophobicContact CB-CD2 4.24Å; L160-F164 HydrophobicContact CB-CE2 4.02Å; L160-F164 HydrophobicContact CD2-CE2 4.22Å; L160-F164 HydrophobicContact CD2-CZ 4.37Å; L160-F164 WeakPolarHBondContact O-CB 3.36Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 VanDerWaalsContact O-CG 3.3Å; L160-F164 WeakPolarHBondContact O-CG 3.43Å; L160-F164 PolarHBondContact O-N 2.87Å; E162-F164 PolarHBondContact O-N 3.22Å; F164-I166 HydrophobicContact CB-CD1 4.13Å; F164-I166 HydrophobicContact CB-CG1 4.04Å; F164-I166 HydrophobicContact CB-CG2 4.44Å; F164-I166 HydrophobicContact CD2-CD1 4.47Å
165N97.3Very high97Very high148 Ų14825.4 Ų25.479%0.79114%0.135SC*.THydrogen-bonded Turntrans53.954.4-176.1-171.967.8000112.2A161 E162A161-N165 VanDerWaalsContact O-CA 3.24Å; A161-N165 WeakPolarHBondContact O-CA 3.28Å; A161-N165 PolarHBondContact O-N 3.4Å; E162-N165 PolarHBondContact O-N 3.46Å
166I97.9Very high97Very high33 Ų3325.8 Ų25.817%0.16914%0.138CC..  trans-130.3151.9179.262.2178.1000110.6F145 I148 A161 F164F145-I166 HydrophobicContact CB-CD1 4.03Å; F145-I166 WeakPolarHBondContact O-CG2 3.2Å; I148-I166 HydrophobicContact CD1-CD1 3.96Å; I148-I166 HydrophobicContact CD1-CG1 4.19Å; I148-I166 HydrophobicContact CG1-CD1 3.54Å; I148-I166 HydrophobicContact CG1-CG1 3.95Å; A161-I166 WeakPolarHBondContact CB-O 3.38Å; A161-I166 PolarHBondContact O-N 3.43Å; A161-I166 VanDerWaalsContact O-N 3.15Å; F164-I166 HydrophobicContact CB-CD1 4.13Å; F164-I166 HydrophobicContact CB-CG1 4.04Å; F164-I166 HydrophobicContact CB-CG2 4.44Å; F164-I166 HydrophobicContact CD2-CD1 4.47Å
167P97.9Very high96.8Very high58 Ų5825.8 Ų25.838%0.37714%0.138SC..  trans-65.1160.217828.2-36.6000111.9D146 V147 I148 D254D146-P167 VanDerWaalsContact O-CD 3.32Å; D146-P167 WeakPolarHBondContact O-CD 3.41Å; D146-P167 VanDerWaalsContact O-CG 3.24Å; D146-P167 WeakPolarHBondContact O-CG 3.34Å; V147-P167 WeakPolarHBondContact CA-O 3.43Å; V147-P167 HydrophobicContact CB-CG 4.39Å; V147-P167 HydrophobicContact CG2-CG 4.4Å; I148-P167 PolarHBondContact N-O 3.18Å; P167-D254 WeakPolarHBondContact CA-OD2 3.44Å; P167-D254 WeakPolarHBondContact CB-OD2 3.41Å
168F97.9Very high96.7Very high7 Ų726.6 Ų26.63%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-144.1148.9174.573.7-78.2000113.4I148 E158 A161 Y170 T249 K252 A253 D254I148-F168 HydrophobicContact CB-CB 3.84Å; I148-F168 CarbonylContact O-C 3.55Å; I148-F168 WeakPolarHBondContact O-CA 3.12Å; I148-F168 WeakPolarHBondContact O-CB 3.28Å; E158-F168 HydrophobicContact CB-CE1 4.29Å; E158-F168 HydrophobicContact CB-CE2 3.87Å; E158-F168 HydrophobicContact CB-CZ 3.72Å; A161-F168 HydrophobicContact CB-CB 4.04Å; A161-F168 HydrophobicContact CB-CD1 3.57Å; A161-F168 HydrophobicContact CB-CE1 4.28Å; A161-F168 HydrophobicContact CB-CG 4Å; F168-Y170 HydrophobicContact CD2-CD1 4.45Å; F168-Y170 HydrophobicContact CD2-CE1 4.22Å; F168-Y170 HydrophobicContact CD2-CE2 4.35Å; F168-Y170 HydrophobicContact CE2-CD1 4.47Å; F168-Y170 AromaticContact CE2-CD2 3.93Å; F168-Y170 HydrophobicContact CE2-CD2 3.93Å; F168-Y170 HydrophobicContact CE2-CE1 4.04Å; F168-Y170 AromaticContact CE2-CE2 3.49Å; F168-Y170 HydrophobicContact CE2-CE2 3.49Å; F168-Y170 VanDerWaalsContact CE2-CE2 3.49Å; F168-Y170 HydrophobicContact CE2-CG 4.39Å; F168-Y170 AromaticContact CE2-CZ 3.51Å; F168-Y170 HydrophobicContact CZ-CE2 4.35Å; F168-T249 WeakPolarHBondContact CZ-O 3.06Å; F168-K252 VanDerWaalsContact CE1-C 3.42Å; F168-K252 HydrophobicContact CE1-CB 3.98Å; F168-K252 WeakPolarHBondContact CE1-O 3.47Å; F168-K252 HydrophobicContact CZ-CB 4.36Å; F168-A253 HydrophobicContact CD2-CB 4.04Å; F168-A253 HydrophobicContact CE1-CB 4.42Å; F168-A253 HydrophobicContact CE2-CB 3.4Å; F168-A253 VanDerWaalsContact CE2-CB 3.4Å; F168-A253 HydrophobicContact CZ-CB 3.64Å; F168-D254 PolarHBondContact N-OD2 3.47Å; F168-D254 PolarHBondContact O-N 3.15Å
169V98.3Very high96.5Very high28 Ų2827.4 Ų27.417%0.1715%0.146CC..EExtended strand (participates in β ladder)trans-120.4127-177.5176.10000108.6V147 I148 F149 A150 V255 L257V147-V169 HydrophobicContact CG2-CG2 4.07Å; I148-V169 PolarHBondContact O-N 3.42Å; F149-V169 WeakPolarHBondContact CA-O 3.08Å; F149-V169 HydrophobicContact CD2-CB 4.03Å; F149-V169 HydrophobicContact CD2-CG1 3.93Å; F149-V169 WeakPolarHBondContact CD2-O 3.24Å; F149-V169 HydrophobicContact CE2-CG1 4.07Å; A150-V169 PolarHBondContact N-O 2.91Å; V169-V255 WeakPolarHBondContact CA-O 3.26Å; V169-V255 HydrophobicContact CG1-CB 3.97Å; V169-V255 HydrophobicContact CG1-CG1 4.25Å; V169-V255 HydrophobicContact CG2-CB 4.12Å; V169-L257 HydrophobicContact CG1-CD1 3.94Å; V169-L257 HydrophobicContact CG1-CG 3.87Å
170Y97.7Very high96.4Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-90.8148.7173-82.8-40.7000112.3A150 A152 S157 E158 F168 M250 A253 V255 W256 L257A150-Y170 HydrophobicContact CB-CD1 4.08Å; A150-Y170 HydrophobicContact CB-CE1 4.11Å; A150-Y170 CarbonylContact O-C 3.22Å; A150-Y170 WeakPolarHBondContact O-CA 3.37Å; A152-Y170 HydrophobicContact CB-CD1 3.84Å; A152-Y170 HydrophobicContact CB-CD2 4.07Å; A152-Y170 HydrophobicContact CB-CE1 4.1Å; A152-Y170 HydrophobicContact CB-CE2 4.27Å; A152-Y170 HydrophobicContact CB-CG 3.85Å; S157-Y170 WeakPolarHBondContact OG-CE1 3.32Å; E158-Y170 WeakPolarHBondContact CB-OH 3.43Å; E158-Y170 WeakPolarHBondContact CG-OH 3.3Å; E158-Y170 PolarHBondContact OE2-OH 2.86Å; F168-Y170 HydrophobicContact CD2-CD1 4.45Å; F168-Y170 HydrophobicContact CD2-CE1 4.22Å; F168-Y170 HydrophobicContact CD2-CE2 4.35Å; F168-Y170 HydrophobicContact CE2-CD1 4.47Å; F168-Y170 AromaticContact CE2-CD2 3.93Å; F168-Y170 HydrophobicContact CE2-CD2 3.93Å; F168-Y170 HydrophobicContact CE2-CE1 4.04Å; F168-Y170 AromaticContact CE2-CE2 3.49Å; F168-Y170 HydrophobicContact CE2-CE2 3.49Å; F168-Y170 VanDerWaalsContact CE2-CE2 3.49Å; F168-Y170 HydrophobicContact CE2-CG 4.39Å; F168-Y170 AromaticContact CE2-CZ 3.51Å; F168-Y170 HydrophobicContact CZ-CE2 4.35Å; Y170-M250 HydrophobicContact CE2-CB 4.04Å; Y170-M250 HydrophobicContact CE2-CE 4.18Å; Y170-M250 HydrophobicContact CE2-CG 4.28Å; Y170-M250 WeakPolarHBondContact OH-CG 3.21Å; Y170-A253 HydrophobicContact CD2-CB 3.63Å; Y170-A253 HydrophobicContact CE2-CB 4.08Å; Y170-A253 HydrophobicContact CG-CB 4.41Å; Y170-V255 PolarHBondContact N-O 3.31Å; Y170-W256 HydrophobicContact CD2-CD2 4.18Å; Y170-W256 HydrophobicContact CD2-CE3 4.03Å; Y170-W256 AromaticContact CD2-CH2 3.56Å; Y170-W256 HydrophobicContact CD2-CH2 3.56Å; Y170-W256 AromaticContact CD2-CZ2 3.7Å; Y170-W256 HydrophobicContact CD2-CZ2 3.7Å; Y170-W256 AromaticContact CD2-CZ3 3.73Å; Y170-W256 HydrophobicContact CD2-CZ3 3.73Å; Y170-W256 AromaticContact CE2-CH2 3.86Å; Y170-W256 HydrophobicContact CE2-CH2 3.86Å; Y170-W256 HydrophobicContact CE2-CZ2 4.06Å; Y170-W256 HydrophobicContact CE2-CZ3 4.39Å; Y170-W256 HydrophobicContact CG-CE3 4.49Å; Y170-W256 HydrophobicContact CG-CZ3 4.39Å; Y170-L257 WeakPolarHBondContact O-CB 3.49Å; Y170-L257 PolarHBondContact O-N 3.23Å
171S96.4Very high96.3Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-115.7131.5157.4-1730000109.1A150 D151 A152 L257 R259A150-S171 PolarHBondContact O-N 2.94Å; D151-S171 VanDerWaalsContact CA-O 3.3Å; D151-S171 WeakPolarHBondContact CA-O 3.16Å; A152-S171 PolarHBondContact N-O 3.32Å; S171-L257 VanDerWaalsContact CA-O 3.28Å; S171-L257 WeakPolarHBondContact CA-O 3.42Å; S171-R259 PolarHBondContact O-NH1 2.96Å; S171-R259 WeakPolarHBondContact OG-CD 3.41Å; S171-R259 WeakPolarHBondContact OG-CG 3.43Å; S171-R259 PolarHBondContact OG-NH1 3.46Å
172L95.8Very high96.1Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-143.6141.9179179.859.3000110.1A152 I153 E181 W256 L257 I258 R259A152-L172 HydrophobicContact CB-CB 4.26Å; A152-L172 HydrophobicContact CB-CD1 4.25Å; A152-L172 HydrophobicContact CB-CD2 4.37Å; I153-L172 HydrophobicContact CD1-CD1 3.78Å; I153-L172 HydrophobicContact CG1-CD1 3.79Å; L172-E181 HydrophobicContact CD2-CG 3.78Å; L172-W256 HydrophobicContact CD2-CE3 4.34Å; L172-W256 HydrophobicContact CD2-CZ3 3.96Å; L172-L257 PolarHBondContact N-O 3.13Å; L172-I258 HydrophobicContact CB-CD1 4.3Å; L172-I258 CarbonylContact O-C 3.48Å; L172-I258 VanDerWaalsContact O-CA 3.26Å; L172-I258 WeakPolarHBondContact O-CA 3.43Å; L172-R259 PolarHBondContact O-N 2.95Å
173S93.3Very high95.9Very high33 Ų3331.5 Ų31.523%0.23116%0.164CC..SBendtrans-87.6-62.6166.8-177.70000109.9N260S173-N260 PolarHBondContact O-ND2 3.32Å; S173-N260 VanDerWaalsContact O-ND2 3.13Å
174F93.6Very high95.8Very high83 Ų8329.4 Ų29.436%0.36415%0.154SC..  trans-160.8163.3167.661.3-89.4000109.2Y178 E181 V197 M198F174-Y178 HydrophobicContact CB-CE1 4.39Å; F174-E181 WeakPolarHBondContact CA-OE1 3.32Å; F174-V197 HydrophobicContact CB-CG2 4.2Å; F174-V197 HydrophobicContact CD1-CG2 4.39Å; F174-V197 HydrophobicContact CD2-CG1 4.14Å; F174-V197 HydrophobicContact CD2-CG2 3.71Å; F174-V197 HydrophobicContact CE2-CG2 4.17Å; F174-V197 HydrophobicContact CG-CG2 3.84Å; F174-M198 HydrophobicContact CE2-CG 4.24Å; F174-M198 HydrophobicContact CE2-SD 3.98Å
175S94.9Very high95.7Very high0 Ų028.5 Ų28.50%015%0.152CC..  trans-110.2153.4161.174.90000111G177 Y178 T179 F180 E181 V197S175-G177 PolarHBondContact O-N 2.68Å; S175-Y178 WeakPolarHBondContact O-CA 3.46Å; S175-Y178 PolarHBondContact O-N 3.38Å; S175-T179 PolarHBondContact OG-N 3.26Å; S175-F180 PolarHBondContact OG-N 3.43Å; S175-E181 WeakPolarHBondContact CB-OE2 3.34Å; S175-E181 PolarHBondContact N-OE1 3.04Å; S175-E181 PolarHBondContact N-OE2 2.81Å; S175-E181 PolarHBondContact OG-OE2 2.98Å; S175-V197 WeakPolarHBondContact O-CG1 3.5Å
176P94.1Very high95.6Very high8 Ų823.3 Ų23.35%0.05213%0.134CC..G310 helixtrans-48.8131.2175-28.334.9000111.5Y178 T179 F220 F224 I226P176-Y178 PolarHBondContact O-N 3.45Å; P176-Y178 VanDerWaalsContact O-N 3.1Å; P176-T179 WeakPolarHBondContact O-CB 3.37Å; P176-T179 PolarHBondContact O-N 2.93Å; P176-T179 VanDerWaalsContact O-N 3.14Å; P176-T179 PolarHBondContact O-OG1 3Å; P176-F220 HydrophobicContact CB-CE1 4.14Å; P176-F224 HydrophobicContact CB-CE1 3.78Å; P176-F224 HydrophobicContact CB-CZ 3.8Å; P176-F224 HydrophobicContact CG-CE1 4.42Å; P176-F224 HydrophobicContact CG-CZ 4.29Å; P176-I226 HydrophobicContact CG-CD1 4.47Å
177G93.9Very high95.5Very high1 Ų122.3 Ų22.31%0.0113%0.128CC..G310 helixtrans67.26.1-178.300000116S175 T179 K182 F220S175-G177 PolarHBondContact O-N 2.68Å; G177-T179 PolarHBondContact O-N 3.22Å; G177-K182 WeakPolarHBondContact O-CE 3.27Å; G177-K182 PolarHBondContact O-NZ 2.69Å; G177-F220 VanDerWaalsContact CA-CG 3.45Å
178Y95.1Very high95.3Very high17 Ų1724.3 Ų24.37%0.06714%0.135CC..G310 helixtrans56.931.8-164.9-55-64.2000113.5F174 S175 P176 E181 K182 F189 V197F174-Y178 HydrophobicContact CB-CE1 4.39Å; S175-Y178 WeakPolarHBondContact O-CA 3.46Å; S175-Y178 PolarHBondContact O-N 3.38Å; P176-Y178 PolarHBondContact O-N 3.45Å; P176-Y178 VanDerWaalsContact O-N 3.1Å; Y178-E181 VanDerWaalsContact C-OE2 3.25Å; Y178-E181 WeakPolarHBondContact CA-OE2 3.49Å; Y178-E181 PolarHBondContact O-N 3.4Å; Y178-K182 WeakPolarHBondContact O-CB 3.28Å; Y178-K182 VanDerWaalsContact O-CE 3.28Å; Y178-K182 WeakPolarHBondContact O-CE 3.25Å; Y178-K182 WeakPolarHBondContact O-CG 3.21Å; Y178-K182 PolarHBondContact O-N 3.09Å; Y178-F189 VanDerWaalsContact CB-CE2 3.43Å; Y178-F189 HydrophobicContact CD1-CE1 4.42Å; Y178-F189 HydrophobicContact CD1-CE2 4.14Å; Y178-F189 AromaticContact CD1-CZ 3.9Å; Y178-F189 HydrophobicContact CD1-CZ 3.9Å; Y178-F189 HydrophobicContact CD2-CD1 4.32Å; Y178-F189 AromaticContact CD2-CD2 3.92Å; Y178-F189 HydrophobicContact CD2-CD2 3.92Å; Y178-F189 HydrophobicContact CD2-CE1 4.39Å; Y178-F189 HydrophobicContact CD2-CE2 4.06Å; Y178-F189 HydrophobicContact CD2-CG 4.04Å; Y178-F189 HydrophobicContact CD2-CZ 4.27Å; Y178-F189 HydrophobicContact CE1-CE1 4.44Å; Y178-F189 HydrophobicContact CE1-CZ 4.33Å; Y178-F189 HydrophobicContact CE2-CD1 4.33Å; Y178-F189 HydrophobicContact CE2-CE1 4.42Å; Y178-F189 HydrophobicContact CE2-CG 4.43Å; Y178-F189 AromaticContact CG-CD2 3.97Å; Y178-F189 HydrophobicContact CG-CD2 3.97Å; Y178-F189 HydrophobicContact CG-CE1 4.39Å; Y178-F189 AromaticContact CG-CE2 3.66Å; Y178-F189 HydrophobicContact CG-CE2 3.66Å; Y178-F189 HydrophobicContact CG-CG 4.47Å; Y178-F189 AromaticContact CG-CZ 3.86Å; Y178-F189 HydrophobicContact CG-CZ 3.86Å; Y178-V197 HydrophobicContact CD1-CB 4.15Å; Y178-V197 HydrophobicContact CD1-CG1 4.19Å; Y178-V197 HydrophobicContact CD2-CB 4.3Å; Y178-V197 HydrophobicContact CD2-CG1 4.44Å; Y178-V197 HydrophobicContact CE1-CB 3.68Å; Y178-V197 HydrophobicContact CE1-CG1 4.23Å; Y178-V197 HydrophobicContact CE1-CG2 4.11Å; Y178-V197 HydrophobicContact CE2-CB 3.85Å; Y178-V197 HydrophobicContact CE2-CG1 4.48Å; Y178-V197 HydrophobicContact CG-CB 4.44Å; Y178-V197 HydrophobicContact CG-CG1 4.31Å
179T94.6Very high95.2Very high16 Ų1625.1 Ų25.110%0.09814%0.138CC..Hα-helixtrans-55.2-53.1-174.9-67.10000112.8S175 P176 G177 H183 I226S175-T179 PolarHBondContact OG-N 3.26Å; P176-T179 WeakPolarHBondContact O-CB 3.37Å; P176-T179 PolarHBondContact O-N 2.93Å; P176-T179 VanDerWaalsContact O-N 3.14Å; P176-T179 PolarHBondContact O-OG1 3Å; G177-T179 PolarHBondContact O-N 3.22Å; T179-H183 WeakPolarHBondContact O-CB 3.49Å; T179-H183 PolarHBondContact O-CD2 2.94Å; T179-H183 PolarHBondContact O-N 3.05Å; T179-I226 HydrophobicContact CG2-CG2 4.21Å
180F95.8Very high95Very high3 Ų325 Ų251%0.01314%0.138CC..Hα-helixtrans-68-40.8-179.9-67.6-26.9000112.6A152 I153 S175 K182 S184 G185 I226 F227 M250A152-F180 WeakPolarHBondContact O-CE2 3.5Å; I153-F180 HydrophobicContact CD1-CD2 4.27Å; I153-F180 HydrophobicContact CD1-CE2 4.15Å; S175-F180 PolarHBondContact OG-N 3.43Å; F180-K182 PolarHBondContact O-N 3.05Å; F180-S184 CarbonylContact O-C 3.44Å; F180-S184 WeakPolarHBondContact O-CA 3.39Å; F180-S184 VanDerWaalsContact O-CB 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.33Å; F180-S184 PolarHBondContact O-N 3.24Å; F180-G185 PolarHBondContact O-N 2.9Å; F180-I226 HydrophobicContact CD1-CG2 4.45Å; F180-I226 HydrophobicContact CD2-CD1 4.32Å; F180-I226 HydrophobicContact CE1-CD1 4.14Å; F180-I226 HydrophobicContact CE1-CG2 3.55Å; F180-I226 HydrophobicContact CE2-CD1 3.77Å; F180-I226 HydrophobicContact CZ-CD1 3.66Å; F180-I226 HydrophobicContact CZ-CG1 4.38Å; F180-I226 HydrophobicContact CZ-CG2 3.79Å; F180-F227 HydrophobicContact CE2-CE2 4.28Å; F180-F227 HydrophobicContact CZ-CD2 4.09Å; F180-F227 AromaticContact CZ-CE2 3.54Å; F180-F227 HydrophobicContact CZ-CE2 3.54Å; F180-F227 HydrophobicContact CZ-CZ 4.14Å; F180-M250 HydrophobicContact CB-CE 4.11Å; F180-M250 HydrophobicContact CD1-CE 3.89Å; F180-M250 HydrophobicContact CD1-SD 4.01Å; F180-M250 HydrophobicContact CD2-CE 3.79Å; F180-M250 HydrophobicContact CE1-CE 4.21Å; F180-M250 HydrophobicContact CE1-SD 4.04Å; F180-M250 HydrophobicContact CE2-CE 4.11Å; F180-M250 HydrophobicContact CG-CE 3.68Å; F180-M250 HydrophobicContact CG-SD 4.42Å; F180-M250 HydrophobicContact CZ-CE 4.31Å; F180-M250 HydrophobicContact CZ-SD 4.46Å
181E95.8Very high94.9Very high5 Ų527.1 Ų27.12%0.02315%0.152CC..Hα-helixtrans-59.8-47.7179.1-61.692.4137.800110.5L172 F174 S175 Y178 G185 G186 F187 F189L172-E181 HydrophobicContact CD2-CG 3.78Å; F174-E181 WeakPolarHBondContact CA-OE1 3.32Å; S175-E181 WeakPolarHBondContact CB-OE2 3.34Å; S175-E181 PolarHBondContact N-OE1 3.04Å; S175-E181 PolarHBondContact N-OE2 2.81Å; S175-E181 PolarHBondContact OG-OE2 2.98Å; Y178-E181 VanDerWaalsContact C-OE2 3.25Å; Y178-E181 WeakPolarHBondContact CA-OE2 3.49Å; Y178-E181 PolarHBondContact O-N 3.4Å; E181-G185 CarbonylContact O-C 3.57Å; E181-G185 VanDerWaalsContact O-CA 3.25Å; E181-G185 WeakPolarHBondContact O-CA 3.3Å; E181-G185 PolarHBondContact O-N 2.96Å; E181-G186 PolarHBondContact O-N 3.38Å; E181-F187 HydrophobicContact CB-CB 3.95Å; E181-F187 HydrophobicContact CB-CD1 4.19Å; E181-F187 HydrophobicContact CB-CD2 4.02Å; E181-F187 HydrophobicContact CB-CG 3.81Å; E181-F187 WeakPolarHBondContact O-CB 3.48Å; E181-F187 VanDerWaalsContact O-CD2 3.28Å; E181-F187 WeakPolarHBondContact O-CD2 3.31Å; E181-F187 PolarHBondContact O-N 3.05Å; E181-F189 HydrophobicContact CB-CE2 3.8Å; E181-F189 HydrophobicContact CB-CZ 4.05Å
182K95Very high94.6Very high38 Ų3829.9 Ų29.917%0.16517%0.171CC..Hα-helixtrans-71-54179.6-71.6-179.6-64.5-177.80112.8G177 Y178 F180 F189 D221G177-K182 WeakPolarHBondContact O-CE 3.27Å; G177-K182 PolarHBondContact O-NZ 2.69Å; Y178-K182 WeakPolarHBondContact O-CB 3.28Å; Y178-K182 VanDerWaalsContact O-CE 3.28Å; Y178-K182 WeakPolarHBondContact O-CE 3.25Å; Y178-K182 WeakPolarHBondContact O-CG 3.21Å; Y178-K182 PolarHBondContact O-N 3.09Å; F180-K182 PolarHBondContact O-N 3.05Å; K182-F189 HydrophobicContact CD-CD2 4.05Å; K182-F189 HydrophobicContact CG-CD2 3.56Å; K182-F189 HydrophobicContact CG-CE2 3.89Å; K182-D221 IonicContact NZ-OD1 3.63Å; K182-D221 PolarHBondContact NZ-OD1 3.26Å
183H94Very high94.5Very high98 Ų9834.3 Ų34.345%0.45419%0.188SC..Hα-helixtrans-87.4-22.5-165.8-59.5-62.9000113.4T179 D221 S247T179-H183 WeakPolarHBondContact O-CB 3.49Å; T179-H183 PolarHBondContact O-CD2 2.94Å; T179-H183 PolarHBondContact O-N 3.05Å; H183-D221 IonicContact CE1-OD1 2.69Å; H183-D221 IonicContact NE2-OD1 3.38Å; H183-S247 PolarHBondContact O-OG 2.85Å
184S95.9Very high94.6Very high14 Ų1432.9 Ų32.910%0.09818%0.178CC..THydrogen-bonded Turntrans-112.5-48.6177.8-43.40000111.3F180 G186 S247 G251F180-S184 CarbonylContact O-C 3.44Å; F180-S184 WeakPolarHBondContact O-CA 3.39Å; F180-S184 VanDerWaalsContact O-CB 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.33Å; F180-S184 PolarHBondContact O-N 3.24Å; S184-G186 VanDerWaalsContact C-N 3.34Å; S184-G186 PolarHBondContact O-N 3.33Å; S184-S247 PolarHBondContact OG-OG 3.49Å; S184-G251 WeakPolarHBondContact O-CA 3.32Å
185G95.3Very high94.7Very high8 Ų829 Ų298%0.08216%0.162CC..SBendtrans-78.2-12-177.300000115.2F180 E181 F187 W256 L271F180-G185 PolarHBondContact O-N 2.9Å; E181-G185 CarbonylContact O-C 3.57Å; E181-G185 VanDerWaalsContact O-CA 3.25Å; E181-G185 WeakPolarHBondContact O-CA 3.3Å; E181-G185 PolarHBondContact O-N 2.96Å; G185-F187 VanDerWaalsContact C-N 3.3Å; G185-F187 PolarHBondContact O-N 2.93Å; G185-W256 VanDerWaalsContact CA-CZ2 3.5Å; G185-L271 WeakPolarHBondContact O-CD1 3.36Å
186G94.9Very high94.7Very high39 Ų3929.4 Ų29.440%0.40216%0.164SC..  trans74.113.6-17900000115.2E181 S184E181-G186 PolarHBondContact O-N 3.38Å; S184-G186 VanDerWaalsContact C-N 3.34Å; S184-G186 PolarHBondContact O-N 3.33Å
187F95Very high94.6Very high12 Ų1230 Ų305%0.05317%0.167CC..  trans-65.4145.8-179.4-72.6-127000110.6E181 G185 F189 W256 I258 Y268 L271 V274E181-F187 HydrophobicContact CB-CB 3.95Å; E181-F187 HydrophobicContact CB-CD1 4.19Å; E181-F187 HydrophobicContact CB-CD2 4.02Å; E181-F187 HydrophobicContact CB-CG 3.81Å; E181-F187 WeakPolarHBondContact O-CB 3.48Å; E181-F187 VanDerWaalsContact O-CD2 3.28Å; E181-F187 WeakPolarHBondContact O-CD2 3.31Å; E181-F187 PolarHBondContact O-N 3.05Å; G185-F187 VanDerWaalsContact C-N 3.3Å; G185-F187 PolarHBondContact O-N 2.93Å; F187-F189 HydrophobicContact CB-CD2 4.3Å; F187-F189 HydrophobicContact CB-CE2 3.51Å; F187-F189 HydrophobicContact CB-CZ 3.72Å; F187-F189 HydrophobicContact CD1-CE1 4.42Å; F187-F189 HydrophobicContact CD1-CE2 4.38Å; F187-F189 AromaticContact CD1-CZ 3.74Å; F187-F189 HydrophobicContact CD1-CZ 3.74Å; F187-F189 HydrophobicContact CG-CE2 4.33Å; F187-F189 HydrophobicContact CG-CZ 4.14Å; F187-W256 HydrophobicContact CE2-CB 4.45Å; F187-W256 HydrophobicContact CE2-CD2 4.4Å; F187-W256 HydrophobicContact CE2-CG 4.27Å; F187-W256 HydrophobicContact CZ-CB 4.35Å; F187-I258 HydrophobicContact CE1-CD1 4.17Å; F187-I258 HydrophobicContact CE1-CG1 4.15Å; F187-I258 HydrophobicContact CZ-CD1 3.82Å; F187-I258 HydrophobicContact CZ-CG1 4.02Å; F187-Y268 AromaticContact CD1-CE2 3.93Å; F187-Y268 HydrophobicContact CD1-CE2 3.93Å; F187-Y268 HydrophobicContact CE1-CE2 4.31Å; F187-L271 HydrophobicContact CD2-CD1 4.38Å; F187-V274 HydrophobicContact CE1-CG1 3.8Å; F187-V274 HydrophobicContact CE1-CG2 4.14Å; F187-V274 HydrophobicContact CE2-CG2 3.56Å; F187-V274 HydrophobicContact CZ-CB 4.1Å; F187-V274 HydrophobicContact CZ-CG1 3.54Å; F187-V274 HydrophobicContact CZ-CG2 3.33Å
188I94.1Very high94.3Very high99 Ų9933 Ų3351%0.50818%0.182SC..  trans-114.8118.2178.9-58.3174.4000108.5P190I188-P190 HydrophobicContact CG2-CG 4.21Å; I188-P190 WeakPolarHBondContact O-CD 3.25Å
189F95.2Very high94Very high24 Ų2432.7 Ų32.711%0.10518%0.182CC..  trans-117.596.5176-58.1-72.6000110.3Y178 E181 K182 F187 P191 V194 Y268Y178-F189 VanDerWaalsContact CB-CE2 3.43Å; Y178-F189 HydrophobicContact CD1-CE1 4.42Å; Y178-F189 HydrophobicContact CD1-CE2 4.14Å; Y178-F189 AromaticContact CD1-CZ 3.9Å; Y178-F189 HydrophobicContact CD1-CZ 3.9Å; Y178-F189 HydrophobicContact CD2-CD1 4.32Å; Y178-F189 AromaticContact CD2-CD2 3.92Å; Y178-F189 HydrophobicContact CD2-CD2 3.92Å; Y178-F189 HydrophobicContact CD2-CE1 4.39Å; Y178-F189 HydrophobicContact CD2-CE2 4.06Å; Y178-F189 HydrophobicContact CD2-CG 4.04Å; Y178-F189 HydrophobicContact CD2-CZ 4.27Å; Y178-F189 HydrophobicContact CE1-CE1 4.44Å; Y178-F189 HydrophobicContact CE1-CZ 4.33Å; Y178-F189 HydrophobicContact CE2-CD1 4.33Å; Y178-F189 HydrophobicContact CE2-CE1 4.42Å; Y178-F189 HydrophobicContact CE2-CG 4.43Å; Y178-F189 AromaticContact CG-CD2 3.97Å; Y178-F189 HydrophobicContact CG-CD2 3.97Å; Y178-F189 HydrophobicContact CG-CE1 4.39Å; Y178-F189 AromaticContact CG-CE2 3.66Å; Y178-F189 HydrophobicContact CG-CE2 3.66Å; Y178-F189 HydrophobicContact CG-CG 4.47Å; Y178-F189 AromaticContact CG-CZ 3.86Å; Y178-F189 HydrophobicContact CG-CZ 3.86Å; E181-F189 HydrophobicContact CB-CE2 3.8Å; E181-F189 HydrophobicContact CB-CZ 4.05Å; K182-F189 HydrophobicContact CD-CD2 4.05Å; K182-F189 HydrophobicContact CG-CD2 3.56Å; K182-F189 HydrophobicContact CG-CE2 3.89Å; F187-F189 HydrophobicContact CB-CD2 4.3Å; F187-F189 HydrophobicContact CB-CE2 3.51Å; F187-F189 HydrophobicContact CB-CZ 3.72Å; F187-F189 HydrophobicContact CD1-CE1 4.42Å; F187-F189 HydrophobicContact CD1-CE2 4.38Å; F187-F189 AromaticContact CD1-CZ 3.74Å; F187-F189 HydrophobicContact CD1-CZ 3.74Å; F187-F189 HydrophobicContact CG-CE2 4.33Å; F187-F189 HydrophobicContact CG-CZ 4.14Å; F189-P191 WeakPolarHBondContact O-CD 3.23Å; F189-V194 HydrophobicContact CB-CB 4.25Å; F189-V194 HydrophobicContact CB-CG1 3.98Å; F189-V194 HydrophobicContact CD1-CG1 3.91Å; F189-V194 HydrophobicContact CG-CG1 4.36Å; F189-Y268 AromaticContact CD1-CD1 3.85Å; F189-Y268 HydrophobicContact CD1-CD1 3.85Å; F189-Y268 HydrophobicContact CD1-CD2 4.27Å; F189-Y268 HydrophobicContact CD1-CE1 4.19Å; F189-Y268 AromaticContact CD1-CG 3.91Å; F189-Y268 HydrophobicContact CD1-CG 3.91Å; F189-Y268 AromaticContact CE1-CD1 3.76Å; F189-Y268 HydrophobicContact CE1-CD1 3.76Å; F189-Y268 AromaticContact CE1-CD2 3.97Å; F189-Y268 HydrophobicContact CE1-CD2 3.97Å; F189-Y268 AromaticContact CE1-CE1 3.63Å; F189-Y268 HydrophobicContact CE1-CE1 3.63Å; F189-Y268 AromaticContact CE1-CE2 3.84Å; F189-Y268 HydrophobicContact CE1-CE2 3.84Å; F189-Y268 AromaticContact CE1-CG 3.94Å; F189-Y268 HydrophobicContact CE1-CG 3.94Å; F189-Y268 AromaticContact CE1-CZ 3.67Å; F189-Y268 HydrophobicContact CZ-CE2 4.49Å
190P94.6Very high93.8Very high25 Ų2540.5 Ų40.516%0.16222%0.218CC..  trans-66.8118.2-177.8-2942.1000111.7I188 S192 Y193 V194I188-P190 HydrophobicContact CG2-CG 4.21Å; I188-P190 WeakPolarHBondContact O-CD 3.25Å; P190-S192 PolarHBondContact O-N 3.23Å; P190-Y193 HydrophobicContact CB-CD1 4.28Å; P190-Y193 HydrophobicContact CB-CE1 3.63Å; P190-Y193 HydrophobicContact CB-CE2 4.15Å; P190-Y193 HydrophobicContact CG-CE1 4.19Å; P190-Y193 HydrophobicContact CG-CE2 4.23Å; P190-Y193 WeakPolarHBondContact CG-OH 3.48Å; P190-Y193 PolarHBondContact O-N 3.27Å; P190-V194 WeakPolarHBondContact O-CB 3.33Å; P190-V194 PolarHBondContact O-N 3.29Å
191P94.8Very high93.7Very high45 Ų4541.3 Ų41.329%0.29222%0.222SC..THydrogen-bonded Turntrans-68.4-11.1-170.825.5-34.8000114.3F189 Y193 N213 M214 V217F189-P191 WeakPolarHBondContact O-CD 3.23Å; P191-Y193 VanDerWaalsContact C-N 3.32Å; P191-N213 PolarHBondContact O-ND2 2.8Å; P191-M214 HydrophobicContact CB-SD 4.11Å; P191-M214 HydrophobicContact CG-SD 3.87Å; P191-V217 HydrophobicContact CB-CG2 4.07Å
192S92.1Very high93.6Very high59 Ų5944.5 Ų44.541%0.41324%0.242SC..THydrogen-bonded Turntrans-72.9-23.3178.652.80000113.6P190 R210P190-S192 PolarHBondContact O-N 3.23Å; S192-R210 WeakPolarHBondContact O-CD 3.3Å; S192-R210 PolarHBondContact O-NE 2.8Å
193Y92.9Very high93.5Very high93 Ų9345.6 Ų45.637%0.36525%0.249SC..THydrogen-bonded Turntrans-145.4-10.9-178.858.8-100.3000114.4P190 P191 P195 D203 P267P190-Y193 HydrophobicContact CB-CD1 4.28Å; P190-Y193 HydrophobicContact CB-CE1 3.63Å; P190-Y193 HydrophobicContact CB-CE2 4.15Å; P190-Y193 HydrophobicContact CG-CE1 4.19Å; P190-Y193 HydrophobicContact CG-CE2 4.23Å; P190-Y193 WeakPolarHBondContact CG-OH 3.48Å; P190-Y193 PolarHBondContact O-N 3.27Å; P191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-P195 WeakPolarHBondContact O-CD 3.44Å; Y193-D203 WeakPolarHBondContact O-CA 2.97Å; Y193-P267 VanDerWaalsContact CE2-O 3.23Å; Y193-P267 WeakPolarHBondContact CE2-O 3.3Å
194V95.8Very high93.5Very high3 Ų347.8 Ų47.82%0.01826%0.26CS..SBendtrans-101.5109.8169.8-173.30000108.8F189 P190 N213 F266F189-V194 HydrophobicContact CB-CB 4.25Å; F189-V194 HydrophobicContact CB-CG1 3.98Å; F189-V194 HydrophobicContact CD1-CG1 3.91Å; F189-V194 HydrophobicContact CG-CG1 4.36Å; P190-V194 WeakPolarHBondContact O-CB 3.33Å; P190-V194 PolarHBondContact O-N 3.29Å; V194-N213 PolarHBondContact O-ND2 2.78Å; V194-F266 HydrophobicContact CG1-CB 4.26Å; V194-F266 HydrophobicContact CG2-CB 4.43Å
195P95.6Very high93.5Very high2 Ų247.5 Ų47.51%0.01326%0.257CS..PPolyproline II helixtrans-71.2148.3174.431-36.4000111.1Y193 V197 L201 N213 F266Y193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-V197 PolarHBondContact O-N 3.39Å; P195-L201 HydrophobicContact CB-CB 3.58Å; P195-L201 WeakPolarHBondContact CG-O 3.09Å; P195-N213 WeakPolarHBondContact CA-OD1 3.47Å; P195-F266 VanDerWaalsContact CD-CD2 3.48Å; P195-F266 HydrophobicContact CG-CD2 3.63Å; P195-F266 HydrophobicContact CG-CE1 4.19Å; P195-F266 HydrophobicContact CG-CE2 3.17Å; P195-F266 HydrophobicContact CG-CG 4.3Å; P195-F266 HydrophobicContact CG-CZ 3.47Å; P195-F266 VanDerWaalsContact CG-CZ 3.47Å
196V94.5Very high93.6Very high8 Ų851.1 Ų51.15%0.04828%0.278CS..PPolyproline II helixtrans-58.6136.6171.8174.40000109.4M198 S199 N213 V217 F220V196-M198 PolarHBondContact O-N 2.76Å; V196-S199 WeakPolarHBondContact O-CB 3.42Å; V196-S199 PolarHBondContact O-N 2.79Å; V196-S199 PolarHBondContact O-OG 2.85Å; V196-N213 PolarHBondContact N-OD1 3.46Å; V196-V217 HydrophobicContact CG2-CB 4.4Å; V196-V217 HydrophobicContact CG2-CG2 3.38Å; V196-F220 HydrophobicContact CG1-CD2 3.64Å; V196-F220 HydrophobicContact CG1-CE2 3.57Å
197V92Very high93.7Very high20 Ų2056.3 Ų56.312%0.12129%0.29CS..THydrogen-bonded Turntrans-55.2139.2175.970.60000110.4F174 S175 Y178 P195 S199F174-V197 HydrophobicContact CB-CG2 4.2Å; F174-V197 HydrophobicContact CD1-CG2 4.39Å; F174-V197 HydrophobicContact CD2-CG1 4.14Å; F174-V197 HydrophobicContact CD2-CG2 3.71Å; F174-V197 HydrophobicContact CE2-CG2 4.17Å; F174-V197 HydrophobicContact CG-CG2 3.84Å; S175-V197 WeakPolarHBondContact O-CG1 3.5Å; Y178-V197 HydrophobicContact CD1-CB 4.15Å; Y178-V197 HydrophobicContact CD1-CG1 4.19Å; Y178-V197 HydrophobicContact CD2-CB 4.3Å; Y178-V197 HydrophobicContact CD2-CG1 4.44Å; Y178-V197 HydrophobicContact CE1-CB 3.68Å; Y178-V197 HydrophobicContact CE1-CG1 4.23Å; Y178-V197 HydrophobicContact CE1-CG2 4.11Å; Y178-V197 HydrophobicContact CE2-CB 3.85Å; Y178-V197 HydrophobicContact CE2-CG1 4.48Å; Y178-V197 HydrophobicContact CG-CB 4.44Å; Y178-V197 HydrophobicContact CG-CG1 4.31Å; P195-V197 PolarHBondContact O-N 3.39Å; V197-S199 PolarHBondContact O-N 3.27Å
198M86.8Confident93.8Very high64 Ų6461.8 Ų61.832%0.31532%0.317SS..THydrogen-bonded Turntrans6713-176.1-45.9172.36500115.7W97 Y108 F109 F174 V196W97-M198 HydrophobicContact CZ2-CE 4.3Å; Y108-M198 HydrophobicContact CE1-CE 3.94Å; Y108-M198 WeakPolarHBondContact OH-CE 3.38Å; F109-M198 HydrophobicContact CE1-CE 4.31Å; F109-M198 HydrophobicContact CE1-SD 4.23Å; F109-M198 HydrophobicContact CZ-CB 4.01Å; F174-M198 HydrophobicContact CE2-CG 4.24Å; F174-M198 HydrophobicContact CE2-SD 3.98Å; V196-M198 PolarHBondContact O-N 2.76Å
199S90.1Very high93.9Very high11 Ų1160.5 Ų60.58%0.07731%0.309CS..SBendtrans-83-9.7176.565.20000115.1V196 V197 L201V196-S199 WeakPolarHBondContact O-CB 3.42Å; V196-S199 PolarHBondContact O-N 2.79Å; V196-S199 PolarHBondContact O-OG 2.85Å; V197-S199 PolarHBondContact O-N 3.27Å; S199-L201 PolarHBondContact O-N 3.23Å; S199-L201 VanDerWaalsContact O-N 3.1Å; S199-L201 PolarHBondContact OG-N 3.38Å
200E90.1Very high94.1Very high180 Ų18064.8 Ų64.884%0.84132%0.324SS*.  trans61.65.2-171.3-54.8179.3169.500114.6
201L93.9Very high94.2Very high21 Ų2166.5 Ų66.511%0.1133%0.334CS..  trans-79.7161.4173.2-60.2175.5000110.9P195 S199 M205 E209 N213P195-L201 HydrophobicContact CB-CB 3.58Å; P195-L201 WeakPolarHBondContact CG-O 3.09Å; S199-L201 PolarHBondContact O-N 3.23Å; S199-L201 VanDerWaalsContact O-N 3.1Å; S199-L201 PolarHBondContact OG-N 3.38Å; L201-M205 HydrophobicContact CB-CG 4.42Å; L201-M205 HydrophobicContact CB-SD 4.19Å; L201-M205 HydrophobicContact CD1-SD 4Å; L201-E209 HydrophobicContact CD2-CB 4.18Å; L201-E209 HydrophobicContact CD2-CG 4.13Å; L201-N213 HydrophobicContact CD1-CB 3.7Å
202T93.9Very high94.2Very high71 Ų7168.7 Ų68.744%0.43634%0.339SS..  trans-115.5-178.6179.169.90000111Q204 M205T202-Q204 PolarHBondContact OG1-N 2.86Å; T202-M205 VanDerWaalsContact O-CG 3.24Å; T202-M205 WeakPolarHBondContact O-CG 3.28Å
203D91.9Very high94.4Very high61 Ų6165.9 Ų65.933%0.32632%0.319SS..SBendtrans-72.5-16.8169.759.9-48.1000113.1Y193 M205 F266Y193-D203 WeakPolarHBondContact O-CA 2.97Å; D203-M205 PolarHBondContact O-N 2.53Å; D203-F266 HydrophobicContact CB-CD1 3.65Å; D203-F266 HydrophobicContact CB-CE1 3.95Å
204Q94.5Very high94.6Very high144 Ų14465.4 Ų65.467%0.67332%0.321SS*.SBendtrans-97.561.9178.6-58.6-57.4-36.700111.1T202T202-Q204 PolarHBondContact OG1-N 2.86Å
205M95.8Very high94.6Very high9 Ų968.9 Ų68.94%0.04434%0.339CS..  trans-84.4134.3177.8-70.1176.7-77.600112.7L201 T202 D203 E209 R210 N213L201-M205 HydrophobicContact CB-CG 4.42Å; L201-M205 HydrophobicContact CB-SD 4.19Å; L201-M205 HydrophobicContact CD1-SD 4Å; T202-M205 VanDerWaalsContact O-CG 3.24Å; T202-M205 WeakPolarHBondContact O-CG 3.28Å; D203-M205 PolarHBondContact O-N 2.53Å; M205-E209 HydrophobicContact CB-CB 3.77Å; M205-E209 HydrophobicContact CG-CB 3.9Å; M205-R210 HydrophobicContact CB-CG 3.64Å; M205-R210 HydrophobicContact CE-CG 4.36Å; M205-R210 PolarHBondContact O-NE 3.21Å; M205-R210 PolarHBondContact O-NH2 3.48Å; M205-R210 HydrophobicContact SD-CG 4.35Å; M205-N213 HydrophobicContact SD-CB 3.75Å
206T97.1Very high94.7Very high83 Ų8370 Ų7051%0.50934%0.343SS..  trans-62166.9160.463.80000111.1M208 E209 R210T206-M208 VanDerWaalsContact C-N 3.29Å; T206-M208 PolarHBondContact O-N 3.47Å; T206-E209 VanDerWaalsContact CB-OE2 3.31Å; T206-E209 WeakPolarHBondContact CB-OE2 3.48Å; T206-E209 VanDerWaalsContact CG2-OE2 3.32Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.01Å; T206-E209 PolarHBondContact N-OE2 2.93Å; T206-E209 PolarHBondContact O-N 2.94Å; T206-E209 WeakPolarHBondContact OG1-CG 3.16Å; T206-E209 PolarHBondContact OG1-N 3.42Å; T206-E209 PolarHBondContact OG1-OE2 3.24Å; T206-R210 WeakPolarHBondContact O-CG 3.38Å; T206-R210 PolarHBondContact O-N 3.48Å
207F96.7Very high94.7Very high149 Ų14970.6 Ų70.665%0.65435%0.347SS*.Hα-helixtrans-56.2-42.7176.5177.1-107.2000112.7R210 V211F207-R210 PolarHBondContact O-N 3.12Å; F207-V211 HydrophobicContact CE1-CG2 4.13Å; F207-V211 HydrophobicContact CE2-CG2 4.37Å; F207-V211 HydrophobicContact CZ-CG2 4.01Å; F207-V211 WeakPolarHBondContact O-CG2 3.4Å; F207-V211 PolarHBondContact O-N 2.93Å
208M97.5Very high94.9Very high126 Ų12672.8 Ų72.862%0.62136%0.358SS*.Hα-helixtrans-67.5-37.5178.6-71.9-6811300112.4T206 R210 V211 K212T206-M208 VanDerWaalsContact C-N 3.29Å; T206-M208 PolarHBondContact O-N 3.47Å; M208-R210 VanDerWaalsContact C-N 3.33Å; M208-V211 PolarHBondContact O-N 3.27Å; M208-K212 WeakPolarHBondContact O-CB 3.25Å; M208-K212 PolarHBondContact O-N 2.91Å
209E97.2Very high95.3Very high72 Ų7270.9 Ų70.934%0.33635%0.347SS..Hα-helixtrans-67-35174.7-72.5163.2141.200111.9L201 M205 T206 K212 N213L201-E209 HydrophobicContact CD2-CB 4.18Å; L201-E209 HydrophobicContact CD2-CG 4.13Å; M205-E209 HydrophobicContact CB-CB 3.77Å; M205-E209 HydrophobicContact CG-CB 3.9Å; T206-E209 VanDerWaalsContact CB-OE2 3.31Å; T206-E209 WeakPolarHBondContact CB-OE2 3.48Å; T206-E209 VanDerWaalsContact CG2-OE2 3.32Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.01Å; T206-E209 PolarHBondContact N-OE2 2.93Å; T206-E209 PolarHBondContact O-N 2.94Å; T206-E209 WeakPolarHBondContact OG1-CG 3.16Å; T206-E209 PolarHBondContact OG1-N 3.42Å; T206-E209 PolarHBondContact OG1-OE2 3.24Å; E209-K212 WeakPolarHBondContact O-CB 3.39Å; E209-K212 PolarHBondContact O-N 3.12Å; E209-N213 WeakPolarHBondContact O-CB 3.41Å; E209-N213 PolarHBondContact O-N 2.98Å
210R97.6Very high95.5Very high115 Ų11570.4 Ų70.443%0.43434%0.344SS..Hα-helixtrans-65.1-40.2171.9-68176.9-169.8173.90.8112.2S192 M205 T206 F207 M208 K212 N213 M214S192-R210 WeakPolarHBondContact O-CD 3.3Å; S192-R210 PolarHBondContact O-NE 2.8Å; M205-R210 HydrophobicContact CB-CG 3.64Å; M205-R210 HydrophobicContact CE-CG 4.36Å; M205-R210 PolarHBondContact O-NE 3.21Å; M205-R210 PolarHBondContact O-NH2 3.48Å; M205-R210 HydrophobicContact SD-CG 4.35Å; T206-R210 WeakPolarHBondContact O-CG 3.38Å; T206-R210 PolarHBondContact O-N 3.48Å; F207-R210 PolarHBondContact O-N 3.12Å; M208-R210 VanDerWaalsContact C-N 3.33Å; R210-K212 VanDerWaalsContact C-N 3.34Å; R210-N213 PolarHBondContact O-N 3.38Å; R210-M214 WeakPolarHBondContact O-CB 3.47Å; R210-M214 PolarHBondContact O-N 2.8Å
211V96.8Very high95.7Very high61 Ų6164.5 Ų64.537%0.3732%0.318SS..Hα-helixtrans-61.5-45.4173.7173.10000110.1F207 M208 M214 I215F207-V211 HydrophobicContact CE1-CG2 4.13Å; F207-V211 HydrophobicContact CE2-CG2 4.37Å; F207-V211 HydrophobicContact CZ-CG2 4.01Å; F207-V211 WeakPolarHBondContact O-CG2 3.4Å; F207-V211 PolarHBondContact O-N 2.93Å; M208-V211 PolarHBondContact O-N 3.27Å; V211-M214 PolarHBondContact O-N 3.18Å; V211-I215 HydrophobicContact CG1-CD1 4.21Å; V211-I215 WeakPolarHBondContact O-CG1 3.42Å; V211-I215 PolarHBondContact O-N 3.22Å
212K95.8Very high95.7Very high91 Ų9170.6 Ų70.640%0.39634%0.344SS..Hα-helixtrans-59.3-46.4174.6-177.5-177.1175.3-170.60111.8M208 E209 R210 M214 I215 Y216M208-K212 WeakPolarHBondContact O-CB 3.25Å; M208-K212 PolarHBondContact O-N 2.91Å; E209-K212 WeakPolarHBondContact O-CB 3.39Å; E209-K212 PolarHBondContact O-N 3.12Å; R210-K212 VanDerWaalsContact C-N 3.34Å; K212-M214 VanDerWaalsContact C-N 3.34Å; K212-M214 PolarHBondContact O-N 2.98Å; K212-I215 WeakPolarHBondContact O-CB 3.34Å; K212-I215 PolarHBondContact O-N 3.17Å; K212-Y216 HydrophobicContact CD-CE2 4.38Å; K212-Y216 VanDerWaalsContact CE-CZ 3.44Å; K212-Y216 WeakPolarHBondContact CE-OH 3.38Å; K212-Y216 HydrophobicContact CG-CE1 4.27Å; K212-Y216 HydrophobicContact CG-CE2 3.96Å; K212-Y216 PolarHBondContact O-N 3.15Å; K212-Y216 VanDerWaalsContact O-N 3.08Å
213N97.1Very high95.6Very high0 Ų075.7 Ų75.70%036%0.355CS..Hα-helixtrans-60.8-42.5176.9-168.549000111.8P191 V194 P195 V196 L201 M205 E209 R210 I215 Y216 V217P191-N213 PolarHBondContact O-ND2 2.8Å; V194-N213 PolarHBondContact O-ND2 2.78Å; P195-N213 WeakPolarHBondContact CA-OD1 3.47Å; V196-N213 PolarHBondContact N-OD1 3.46Å; L201-N213 HydrophobicContact CD1-CB 3.7Å; M205-N213 HydrophobicContact SD-CB 3.75Å; E209-N213 WeakPolarHBondContact O-CB 3.41Å; E209-N213 PolarHBondContact O-N 2.98Å; R210-N213 PolarHBondContact O-N 3.38Å; N213-I215 VanDerWaalsContact C-N 3.32Å; N213-I215 PolarHBondContact O-N 2.96Å; N213-Y216 WeakPolarHBondContact O-CB 3.38Å; N213-Y216 PolarHBondContact O-N 3.49Å; N213-Y216 VanDerWaalsContact O-N 3.11Å; N213-V217 PolarHBondContact O-N 2.85Å
214M96.9Very high95.7Very high82 Ų8273.3 Ų73.340%0.40434%0.342SS..Hα-helixtrans-62-40.5176.7-173.364.5-169.500111.6P191 R210 V211 K212 Y216 V217 L218P191-M214 HydrophobicContact CB-SD 4.11Å; P191-M214 HydrophobicContact CG-SD 3.87Å; R210-M214 WeakPolarHBondContact O-CB 3.47Å; R210-M214 PolarHBondContact O-N 2.8Å; V211-M214 PolarHBondContact O-N 3.18Å; K212-M214 VanDerWaalsContact C-N 3.34Å; K212-M214 PolarHBondContact O-N 2.98Å; M214-Y216 VanDerWaalsContact C-N 3.28Å; M214-Y216 PolarHBondContact O-N 3.3Å; M214-V217 PolarHBondContact O-N 3.46Å; M214-L218 HydrophobicContact CE-CD1 4.4Å; M214-L218 HydrophobicContact CE-CD2 4Å; M214-L218 HydrophobicContact CE-CG 4.12Å; M214-L218 WeakPolarHBondContact O-CG 3.25Å; M214-L218 PolarHBondContact O-N 2.94Å
215I95.9Very high95.6Very high77 Ų7770.6 Ų70.640%0.39533%0.329SS..Hα-helixtrans-60.4-40.7173.8-68.7164.5000110.7W106 V211 K212 N213 L218 Y219W106-I215 HydrophobicContact CH2-CG2 3.6Å; W106-I215 HydrophobicContact CZ2-CG2 3.79Å; V211-I215 HydrophobicContact CG1-CD1 4.21Å; V211-I215 WeakPolarHBondContact O-CG1 3.42Å; V211-I215 PolarHBondContact O-N 3.22Å; K212-I215 WeakPolarHBondContact O-CB 3.34Å; K212-I215 PolarHBondContact O-N 3.17Å; N213-I215 VanDerWaalsContact C-N 3.32Å; N213-I215 PolarHBondContact O-N 2.96Å; I215-L218 PolarHBondContact O-N 3.31Å; I215-Y219 PolarHBondContact O-N 3.41Å
216Y95.8Very high95.4Very high24 Ų2470.3 Ų70.39%0.09433%0.328CS..Hα-helixtrans-65.2-42.8175.9-63.1-15.8000112.4F105 K212 N213 M214 L218 Y219 F220F105-Y216 HydrophobicContact CB-CE1 4.03Å; F105-Y216 AromaticContact CD1-CD1 3.79Å; F105-Y216 HydrophobicContact CD1-CD1 3.79Å; F105-Y216 AromaticContact CD1-CE1 3.53Å; F105-Y216 HydrophobicContact CD1-CE1 3.53Å; F105-Y216 AromaticContact CD2-CD1 3.8Å; F105-Y216 HydrophobicContact CD2-CD1 3.8Å; F105-Y216 HydrophobicContact CD2-CD2 4.19Å; F105-Y216 AromaticContact CD2-CE1 3.36Å; F105-Y216 HydrophobicContact CD2-CE1 3.36Å; F105-Y216 AromaticContact CD2-CE2 3.79Å; F105-Y216 HydrophobicContact CD2-CE2 3.79Å; F105-Y216 HydrophobicContact CD2-CG 4.17Å; F105-Y216 AromaticContact CD2-CZ 3.32Å; F105-Y216 AromaticContact CE1-CD1 3.47Å; F105-Y216 HydrophobicContact CE1-CD1 3.47Å; F105-Y216 VanDerWaalsContact CE1-CD1 3.47Å; F105-Y216 AromaticContact CE1-CE1 3.74Å; F105-Y216 HydrophobicContact CE1-CE1 3.74Å; F105-Y216 HydrophobicContact CE1-CG 4.21Å; F105-Y216 AromaticContact CE2-CD1 3.45Å; F105-Y216 HydrophobicContact CE2-CD1 3.45Å; F105-Y216 VanDerWaalsContact CE2-CD1 3.45Å; F105-Y216 AromaticContact CE2-CD2 3.73Å; F105-Y216 HydrophobicContact CE2-CD2 3.73Å; F105-Y216 AromaticContact CE2-CE1 3.57Å; F105-Y216 HydrophobicContact CE2-CE1 3.57Å; F105-Y216 AromaticContact CE2-CE2 3.83Å; F105-Y216 HydrophobicContact CE2-CE2 3.83Å; F105-Y216 AromaticContact CE2-CG 3.52Å; F105-Y216 HydrophobicContact CE2-CG 3.52Å; F105-Y216 AromaticContact CE2-CZ 3.72Å; F105-Y216 AromaticContact CG-CD1 3.96Å; F105-Y216 HydrophobicContact CG-CD1 3.96Å; F105-Y216 AromaticContact CG-CE1 3.35Å; F105-Y216 HydrophobicContact CG-CE1 3.35Å; F105-Y216 AromaticContact CG-CZ 3.67Å; F105-Y216 AromaticContact CZ-CD1 3.3Å; F105-Y216 HydrophobicContact CZ-CD1 3.3Å; F105-Y216 HydrophobicContact CZ-CD2 4.25Å; F105-Y216 AromaticContact CZ-CE1 3.77Å; F105-Y216 HydrophobicContact CZ-CE1 3.77Å; F105-Y216 AromaticContact CZ-CG 3.55Å; F105-Y216 HydrophobicContact CZ-CG 3.55Å; K212-Y216 HydrophobicContact CD-CE2 4.38Å; K212-Y216 VanDerWaalsContact CE-CZ 3.44Å; K212-Y216 WeakPolarHBondContact CE-OH 3.38Å; K212-Y216 HydrophobicContact CG-CE1 4.27Å; K212-Y216 HydrophobicContact CG-CE2 3.96Å; K212-Y216 PolarHBondContact O-N 3.15Å; K212-Y216 VanDerWaalsContact O-N 3.08Å; N213-Y216 WeakPolarHBondContact O-CB 3.38Å; N213-Y216 PolarHBondContact O-N 3.49Å; N213-Y216 VanDerWaalsContact O-N 3.11Å; M214-Y216 VanDerWaalsContact C-N 3.28Å; M214-Y216 PolarHBondContact O-N 3.3Å; Y216-L218 PolarHBondContact O-N 2.89Å; Y216-Y219 WeakPolarHBondContact O-CB 3.07Å; Y216-Y219 PolarHBondContact O-N 3.13Å; Y216-F220 VanDerWaalsContact O-CD2 3.24Å; Y216-F220 WeakPolarHBondContact O-CD2 3.46Å; Y216-F220 PolarHBondContact O-N 2.72Å
217V95.9Very high95.3Very high21 Ų2166.4 Ų66.413%0.12730%0.304CS..Hα-helixtrans-57.2-49.7174.3169.80000110.8P191 V196 N213 M214 Y219 F220 D221P191-V217 HydrophobicContact CB-CG2 4.07Å; V196-V217 HydrophobicContact CG2-CB 4.4Å; V196-V217 HydrophobicContact CG2-CG2 3.38Å; N213-V217 PolarHBondContact O-N 2.85Å; M214-V217 PolarHBondContact O-N 3.46Å; V217-Y219 VanDerWaalsContact C-N 3.27Å; V217-Y219 PolarHBondContact O-N 2.72Å; V217-F220 PolarHBondContact O-N 2.9Å; V217-F220 VanDerWaalsContact O-N 3.15Å; V217-D221 WeakPolarHBondContact CG1-OD2 3.2Å; V217-D221 WeakPolarHBondContact O-CB 3.28Å; V217-D221 VanDerWaalsContact O-CG 3.27Å; V217-D221 PolarHBondContact O-N 3.44Å
218L95.7Very high95.3Very high67 Ų6761 Ų6135%0.35128%0.281SS..Hα-helixtrans-60.6-37.5178.9-67.1174.2000112.3M214 I215 Y216 F222M214-L218 HydrophobicContact CE-CD1 4.4Å; M214-L218 HydrophobicContact CE-CD2 4Å; M214-L218 HydrophobicContact CE-CG 4.12Å; M214-L218 WeakPolarHBondContact O-CG 3.25Å; M214-L218 PolarHBondContact O-N 2.94Å; I215-L218 PolarHBondContact O-N 3.31Å; Y216-L218 PolarHBondContact O-N 2.89Å; L218-F222 HydrophobicContact CB-CD2 4.48Å; L218-F222 HydrophobicContact CD2-CD2 4.08Å; L218-F222 HydrophobicContact CD2-CE2 3.71Å; L218-F222 WeakPolarHBondContact O-CB 3.45Å; L218-F222 WeakPolarHBondContact O-CD2 3.24Å; L218-F222 PolarHBondContact O-N 3.37Å; L218-F222 VanDerWaalsContact O-N 3.13Å
219Y95.2Very high95.1Very high23 Ų2356.9 Ų56.99%0.0926%0.261CS..Hα-helixtrans-62-48.8174.2173.4-106.6000112.2F105 W106 F109 I215 Y216 V217 D221 W223 F224F105-Y219 AromaticContact CE1-CD1 3.63Å; F105-Y219 HydrophobicContact CE1-CD1 3.63Å; F105-Y219 HydrophobicContact CE1-CE1 4.12Å; F105-Y219 HydrophobicContact CE1-CG 4.08Å; F105-Y219 AromaticContact CZ-CD1 3.93Å; F105-Y219 HydrophobicContact CZ-CD1 3.93Å; F105-Y219 HydrophobicContact CZ-CE1 4.48Å; W106-Y219 AromaticContact CE3-CD2 3.82Å; W106-Y219 HydrophobicContact CE3-CD2 3.82Å; W106-Y219 HydrophobicContact CE3-CE2 4.05Å; W106-Y219 HydrophobicContact CE3-CG 4.16Å; W106-Y219 HydrophobicContact CZ3-CD1 4.37Å; W106-Y219 AromaticContact CZ3-CD2 3.41Å; W106-Y219 HydrophobicContact CZ3-CD2 3.41Å; W106-Y219 VanDerWaalsContact CZ3-CD2 3.41Å; W106-Y219 HydrophobicContact CZ3-CE2 4.12Å; W106-Y219 AromaticContact CZ3-CG 3.54Å; W106-Y219 HydrophobicContact CZ3-CG 3.54Å; F109-Y219 HydrophobicContact CB-CE1 3.65Å; F109-Y219 HydrophobicContact CG-CE1 4.34Å; I215-Y219 PolarHBondContact O-N 3.41Å; Y216-Y219 WeakPolarHBondContact O-CB 3.07Å; Y216-Y219 PolarHBondContact O-N 3.13Å; V217-Y219 VanDerWaalsContact C-N 3.27Å; V217-Y219 PolarHBondContact O-N 2.72Å; Y219-D221 VanDerWaalsContact C-N 3.34Å; Y219-D221 PolarHBondContact O-N 3.5Å; Y219-W223 HydrophobicContact CD2-CB 3.65Å; Y219-W223 HydrophobicContact CD2-CG 4.43Å; Y219-W223 HydrophobicContact CE2-CB 3.86Å; Y219-W223 WeakPolarHBondContact O-CA 3.38Å; Y219-W223 WeakPolarHBondContact O-CB 3.34Å; Y219-W223 PolarHBondContact O-N 3.17Å; Y219-F224 HydrophobicContact CD1-CB 4.37Å; Y219-F224 HydrophobicContact CE1-CB 3.98Å; Y219-F224 AromaticContact CE1-CD2 3.99Å; Y219-F224 HydrophobicContact CE1-CD2 3.99Å; Y219-F224 HydrophobicContact CE1-CG 4.4Å; Y219-F224 PolarHBondContact O-N 3.22Å
220F95.3Very high95Very high2 Ų260.8 Ų60.81%0.00928%0.277CS..Hα-helixtrans-69.6-31.3-179-78.4-72.2000113.6F105 F109 P176 G177 V196 Y216 V217 F224F105-F220 HydrophobicContact CE2-CE2 4.16Å; F105-F220 HydrophobicContact CZ-CD2 4.4Å; F105-F220 AromaticContact CZ-CE2 3.68Å; F105-F220 HydrophobicContact CZ-CE2 3.68Å; F105-F220 HydrophobicContact CZ-CZ 4.32Å; F109-F220 AromaticContact CD1-CE1 3.93Å; F109-F220 HydrophobicContact CD1-CE1 3.93Å; F109-F220 AromaticContact CD1-CZ 3.51Å; F109-F220 HydrophobicContact CD1-CZ 3.51Å; F109-F220 HydrophobicContact CD2-CZ 4.05Å; F109-F220 HydrophobicContact CE1-CE1 4.19Å; F109-F220 AromaticContact CE1-CZ 3.52Å; F109-F220 HydrophobicContact CE1-CZ 3.52Å; F109-F220 HydrophobicContact CE2-CE2 4.47Å; F109-F220 HydrophobicContact CE2-CZ 4.06Å; F109-F220 HydrophobicContact CG-CE1 4.38Å; F109-F220 AromaticContact CG-CZ 3.8Å; F109-F220 HydrophobicContact CG-CZ 3.8Å; F109-F220 HydrophobicContact CZ-CE2 4.45Å; F109-F220 AromaticContact CZ-CZ 3.8Å; F109-F220 HydrophobicContact CZ-CZ 3.8Å; P176-F220 HydrophobicContact CB-CE1 4.14Å; G177-F220 VanDerWaalsContact CA-CG 3.45Å; V196-F220 HydrophobicContact CG1-CD2 3.64Å; V196-F220 HydrophobicContact CG1-CE2 3.57Å; Y216-F220 VanDerWaalsContact O-CD2 3.24Å; Y216-F220 WeakPolarHBondContact O-CD2 3.46Å; Y216-F220 PolarHBondContact O-N 2.72Å; V217-F220 PolarHBondContact O-N 2.9Å; V217-F220 VanDerWaalsContact O-N 3.15Å; F220-F224 HydrophobicContact CD1-CB 3.64Å; F220-F224 AromaticContact CD1-CD1 3.68Å; F220-F224 HydrophobicContact CD1-CD1 3.68Å; F220-F224 HydrophobicContact CD1-CD2 4.14Å; F220-F224 HydrophobicContact CD1-CE1 4.37Å; F220-F224 AromaticContact CD1-CG 3.55Å; F220-F224 HydrophobicContact CD1-CG 3.55Å; F220-F224 HydrophobicContact CE1-CB 4.23Å; F220-F224 AromaticContact CE1-CD1 3.96Å; F220-F224 HydrophobicContact CE1-CD1 3.96Å; F220-F224 AromaticContact CE1-CD2 3.86Å; F220-F224 HydrophobicContact CE1-CD2 3.86Å; F220-F224 HydrophobicContact CE1-CE1 4.27Å; F220-F224 HydrophobicContact CE1-CE2 4.17Å; F220-F224 AromaticContact CE1-CG 3.75Å; F220-F224 HydrophobicContact CE1-CG 3.75Å; F220-F224 HydrophobicContact CE1-CZ 4.37Å; F220-F224 HydrophobicContact CG-CB 4.4Å
221D93.6Very high95Very high55 Ų5559.2 Ų59.229%0.29427%0.274SS..Hα-helixtrans-78.1-29.3-178.7-71.5-1.6000112.8K182 H183 V217 Y219K182-D221 IonicContact NZ-OD1 3.63Å; K182-D221 PolarHBondContact NZ-OD1 3.26Å; H183-D221 IonicContact CE1-OD1 2.69Å; H183-D221 IonicContact NE2-OD1 3.38Å; V217-D221 WeakPolarHBondContact CG1-OD2 3.2Å; V217-D221 WeakPolarHBondContact O-CB 3.28Å; V217-D221 VanDerWaalsContact O-CG 3.27Å; V217-D221 PolarHBondContact O-N 3.44Å; Y219-D221 VanDerWaalsContact C-N 3.34Å; Y219-D221 PolarHBondContact O-N 3.5Å
222F93.3Very high95.1Very high149 Ų14956.3 Ų56.365%0.65426%0.256SS*.Hα-helixtrans-123.1-22.4-170-63.2-71.6000115.5L218L218-F222 HydrophobicContact CB-CD2 4.48Å; L218-F222 HydrophobicContact CD2-CD2 4.08Å; L218-F222 HydrophobicContact CD2-CE2 3.71Å; L218-F222 WeakPolarHBondContact O-CB 3.45Å; L218-F222 WeakPolarHBondContact O-CD2 3.24Å; L218-F222 PolarHBondContact O-N 3.37Å; L218-F222 VanDerWaalsContact O-N 3.13Å
223W92.4Very high95.2Very high179 Ų17953.8 Ų53.868%0.67825%0.247SC*.THydrogen-bonded Turntrans-117.9-36.1-175.5-82.8-88.7000114.2Y219 E225Y219-W223 HydrophobicContact CD2-CB 3.65Å; Y219-W223 HydrophobicContact CD2-CG 4.43Å; Y219-W223 HydrophobicContact CE2-CB 3.86Å; Y219-W223 WeakPolarHBondContact O-CA 3.38Å; Y219-W223 WeakPolarHBondContact O-CB 3.34Å; Y219-W223 PolarHBondContact O-N 3.17Å; W223-E225 PolarHBondContact O-N 3.24Å
224F93.5Very high95.3Very high10 Ų1059.3 Ų59.34%0.04427%0.273CS..  trans-77.9117.9-178.5-173.4-94.2000110.8F109 V112 Q113 P176 Y219 F220 I226F109-F224 HydrophobicContact CD1-CE2 4.46Å; V112-F224 HydrophobicContact CG1-CE2 4.37Å; V112-F224 HydrophobicContact CG1-CZ 4.23Å; Q113-F224 HydrophobicContact CB-CD2 3.95Å; Q113-F224 HydrophobicContact CB-CE2 3.6Å; Q113-F224 HydrophobicContact CB-CZ 4.32Å; Q113-F224 HydrophobicContact CG-CE2 4.49Å; P176-F224 HydrophobicContact CB-CE1 3.78Å; P176-F224 HydrophobicContact CB-CZ 3.8Å; P176-F224 HydrophobicContact CG-CE1 4.42Å; P176-F224 HydrophobicContact CG-CZ 4.29Å; Y219-F224 HydrophobicContact CD1-CB 4.37Å; Y219-F224 HydrophobicContact CE1-CB 3.98Å; Y219-F224 AromaticContact CE1-CD2 3.99Å; Y219-F224 HydrophobicContact CE1-CD2 3.99Å; Y219-F224 HydrophobicContact CE1-CG 4.4Å; Y219-F224 PolarHBondContact O-N 3.22Å; F220-F224 HydrophobicContact CD1-CB 3.64Å; F220-F224 AromaticContact CD1-CD1 3.68Å; F220-F224 HydrophobicContact CD1-CD1 3.68Å; F220-F224 HydrophobicContact CD1-CD2 4.14Å; F220-F224 HydrophobicContact CD1-CE1 4.37Å; F220-F224 AromaticContact CD1-CG 3.55Å; F220-F224 HydrophobicContact CD1-CG 3.55Å; F220-F224 HydrophobicContact CE1-CB 4.23Å; F220-F224 AromaticContact CE1-CD1 3.96Å; F220-F224 HydrophobicContact CE1-CD1 3.96Å; F220-F224 AromaticContact CE1-CD2 3.86Å; F220-F224 HydrophobicContact CE1-CD2 3.86Å; F220-F224 HydrophobicContact CE1-CE1 4.27Å; F220-F224 HydrophobicContact CE1-CE2 4.17Å; F220-F224 AromaticContact CE1-CG 3.75Å; F220-F224 HydrophobicContact CE1-CG 3.75Å; F220-F224 HydrophobicContact CE1-CZ 4.37Å; F220-F224 HydrophobicContact CG-CB 4.4Å; F224-I226 HydrophobicContact CD1-CB 4.49Å; F224-I226 HydrophobicContact CE1-CB 3.87Å; F224-I226 HydrophobicContact CE1-CG1 4.26Å
225E92.4Very high95.4Very high88 Ų8856.2 Ų56.241%0.41126%0.257SS..  trans-106105172.5-68.6-173.2165.800109.1Q113 W223 F227Q113-E225 WeakPolarHBondContact CG-O 3.35Å; W223-E225 PolarHBondContact O-N 3.24Å; E225-F227 PolarHBondContact O-N 2.93Å
226I92.3Very high95.5Very high2 Ų252.6 Ų52.61%0.0124%0.238CC..SBendtrans-56.6-41.1-177.9-168.7167.5000112.1M116 P176 T179 F180 F224 M229M116-I226 CarbonylContact C-O 3.52Å; M116-I226 HydrophobicContact CB-CG1 4.39Å; M116-I226 WeakPolarHBondContact CB-O 3.3Å; M116-I226 HydrophobicContact CE-CD1 3.96Å; M116-I226 HydrophobicContact CE-CG1 3.77Å; P176-I226 HydrophobicContact CG-CD1 4.47Å; T179-I226 HydrophobicContact CG2-CG2 4.21Å; F180-I226 HydrophobicContact CD1-CG2 4.45Å; F180-I226 HydrophobicContact CD2-CD1 4.32Å; F180-I226 HydrophobicContact CE1-CD1 4.14Å; F180-I226 HydrophobicContact CE1-CG2 3.55Å; F180-I226 HydrophobicContact CE2-CD1 3.77Å; F180-I226 HydrophobicContact CZ-CD1 3.66Å; F180-I226 HydrophobicContact CZ-CG1 4.38Å; F180-I226 HydrophobicContact CZ-CG2 3.79Å; F224-I226 HydrophobicContact CD1-CB 4.49Å; F224-I226 HydrophobicContact CE1-CB 3.87Å; F224-I226 HydrophobicContact CE1-CG1 4.26Å; I226-M229 HydrophobicContact CG2-SD 4.25Å
227F95.1Very high95.6Very high1 Ų152.9 Ų52.90%0.00424%0.244CC..SBendtrans-130171170.9-56.5-38.7000108.9M116 F119 P155 F180 E225 M229 W232 L246M116-F227 HydrophobicContact CE-CE1 3.95Å; M116-F227 HydrophobicContact CE-CZ 4.37Å; M116-F227 VanDerWaalsContact O-CD1 3.24Å; M116-F227 WeakPolarHBondContact O-CD1 3.38Å; M116-F227 WeakPolarHBondContact O-CE1 3.38Å; F119-F227 AromaticContact CD1-CE1 3.91Å; F119-F227 HydrophobicContact CD1-CE1 3.91Å; F119-F227 HydrophobicContact CD1-CZ 4.25Å; F119-F227 HydrophobicContact CE1-CE1 4.42Å; F119-F227 HydrophobicContact CE1-CZ 4.31Å; P155-F227 HydrophobicContact CG-CD2 4.2Å; P155-F227 HydrophobicContact CG-CE2 3.5Å; P155-F227 VanDerWaalsContact CG-CE2 3.5Å; P155-F227 HydrophobicContact CG-CZ 4.36Å; F180-F227 HydrophobicContact CE2-CE2 4.28Å; F180-F227 HydrophobicContact CZ-CD2 4.09Å; F180-F227 AromaticContact CZ-CE2 3.54Å; F180-F227 HydrophobicContact CZ-CE2 3.54Å; F180-F227 HydrophobicContact CZ-CZ 4.14Å; E225-F227 PolarHBondContact O-N 2.93Å; F227-M229 HydrophobicContact CB-SD 4.28Å; F227-M229 PolarHBondContact O-N 2.91Å; F227-W232 AromaticContact CD2-NE1 3.9Å; F227-W232 AromaticContact CG-NE1 3.93Å; F227-L246 HydrophobicContact CD2-CD2 4.24Å
228D95.3Very high95.7Very high35 Ų3558 Ų5819%0.18727%0.266CS..  trans-67.683163-170.4-29.5000109.5K230 K231 W232D228-K230 PolarHBondContact O-N 2.91Å; D228-K231 HydrophobicContact CB-CB 4.27Å; D228-K231 HydrophobicContact CB-CD 4.17Å; D228-K231 HydrophobicContact CB-CG 4.34Å; D228-K231 PolarHBondContact O-N 3.47Å; D228-K231 VanDerWaalsContact O-N 3.15Å; D228-K231 PolarHBondContact OD1-N 2.63Å; D228-K231 VanDerWaalsContact OD1-N 3.13Å; D228-K231 WeakPolarHBondContact OD2-CD 3.31Å; D228-K231 WeakPolarHBondContact OD2-CE 3.48Å; D228-K231 WeakPolarHBondContact OD2-CG 3.47Å; D228-K231 IonicContact OD2-NZ 3.14Å; D228-K231 PolarHBondContact OD2-NZ 3.1Å; D228-W232 PolarHBondContact O-N 3.43Å
229M93.9Very high95.9Very high41 Ų4157.1 Ų57.120%0.20226%0.264CS..Hα-helixtrans-60.3-34.3-173.2-65.6-57.6-67.600111.2I226 F227 K231 W232 D233 L246I226-M229 HydrophobicContact CG2-SD 4.25Å; F227-M229 HydrophobicContact CB-SD 4.28Å; F227-M229 PolarHBondContact O-N 2.91Å; M229-K231 PolarHBondContact O-N 2.9Å; M229-W232 PolarHBondContact O-N 2.89Å; M229-D233 WeakPolarHBondContact O-CB 3.16Å; M229-D233 PolarHBondContact O-N 3.28Å; M229-L246 HydrophobicContact CE-CB 4.03Å; M229-L246 HydrophobicContact CE-CD2 4.03Å; M229-L246 HydrophobicContact CE-CG 4.25Å; M229-L246 HydrophobicContact SD-CD2 4.22Å
230K96.3Very high96Very high154 Ų15457.7 Ų57.767%0.6727%0.268SS*.Hα-helixtrans-62.3-44.8176.9-68.4175.9-176.6165.50111.8D228 W232 Q234D228-K230 PolarHBondContact O-N 2.91Å; K230-W232 VanDerWaalsContact C-N 3.32Å; K230-W232 PolarHBondContact O-N 3.45Å; K230-Q234 VanDerWaalsContact O-CB 3.3Å; K230-Q234 WeakPolarHBondContact O-CB 3.38Å; K230-Q234 PolarHBondContact O-N 2.95Å
231K97.8Very high96.1Very high82 Ų8261 Ų6136%0.35730%0.303SS..Hα-helixtrans-64.6-36.9175.9-74.4-177.2-171.2133.60112.2D121 R124 D228 M229 F235D121-K231 IonicContact OD1-NZ 3.64Å; R124-K231 VanDerWaalsContact NH1-CD 3.29Å; D228-K231 HydrophobicContact CB-CB 4.27Å; D228-K231 HydrophobicContact CB-CD 4.17Å; D228-K231 HydrophobicContact CB-CG 4.34Å; D228-K231 PolarHBondContact O-N 3.47Å; D228-K231 VanDerWaalsContact O-N 3.15Å; D228-K231 PolarHBondContact OD1-N 2.63Å; D228-K231 VanDerWaalsContact OD1-N 3.13Å; D228-K231 WeakPolarHBondContact OD2-CD 3.31Å; D228-K231 WeakPolarHBondContact OD2-CE 3.48Å; D228-K231 WeakPolarHBondContact OD2-CG 3.47Å; D228-K231 IonicContact OD2-NZ 3.14Å; D228-K231 PolarHBondContact OD2-NZ 3.1Å; M229-K231 PolarHBondContact O-N 2.9Å; K231-F235 VanDerWaalsContact O-CB 3.23Å; K231-F235 WeakPolarHBondContact O-CB 3.28Å; K231-F235 PolarHBondContact O-N 3.19Å
232W97.9Very high96.3Very high0 Ų062.7 Ų62.70%031%0.305CS..Hα-helixtrans-67.8-48.2176.2-83.2103.4000112.3G120 R124 P155 F227 D228 M229 K230 Q234 F235 Y236 L246G120-W232 VanDerWaalsContact O-CZ2 3.31Å; G120-W232 WeakPolarHBondContact O-CZ2 3.32Å; R124-W232 HydrophobicContact CB-CD2 4.2Å; R124-W232 HydrophobicContact CB-CE3 4.4Å; R124-W232 HydrophobicContact CB-CH2 3.72Å; R124-W232 HydrophobicContact CB-CZ2 3.47Å; R124-W232 VanDerWaalsContact CB-CZ2 3.47Å; R124-W232 HydrophobicContact CB-CZ3 4.18Å; R124-W232 HydrophobicContact CG-CD2 4.11Å; R124-W232 HydrophobicContact CG-CE3 4.09Å; R124-W232 HydrophobicContact CG-CH2 4.21Å; R124-W232 HydrophobicContact CG-CZ2 4.22Å; R124-W232 HydrophobicContact CG-CZ3 4.14Å; R124-W232 VanDerWaalsContact N-CZ2 3.32Å; P155-W232 HydrophobicContact CB-CE3 4.48Å; P155-W232 HydrophobicContact CB-CH2 3.67Å; P155-W232 HydrophobicContact CB-CZ2 4.17Å; P155-W232 HydrophobicContact CB-CZ3 3.86Å; P155-W232 HydrophobicContact CG-CH2 4.1Å; P155-W232 HydrophobicContact CG-CZ2 4.1Å; F227-W232 AromaticContact CD2-NE1 3.9Å; F227-W232 AromaticContact CG-NE1 3.93Å; D228-W232 PolarHBondContact O-N 3.43Å; M229-W232 PolarHBondContact O-N 2.89Å; K230-W232 VanDerWaalsContact C-N 3.32Å; K230-W232 PolarHBondContact O-N 3.45Å; W232-Q234 VanDerWaalsContact C-N 3.33Å; W232-Q234 PolarHBondContact O-N 2.97Å; W232-F235 HydrophobicContact CE3-CD1 4.29Å; W232-F235 HydrophobicContact CZ3-CD1 4.47Å; W232-F235 PolarHBondContact O-N 3.14Å; W232-Y236 HydrophobicContact CE3-CD1 4.13Å; W232-Y236 AromaticContact CE3-CE1 3.39Å; W232-Y236 HydrophobicContact CE3-CE1 3.39Å; W232-Y236 AromaticContact CE3-CZ 3.84Å; W232-Y236 AromaticContact CZ3-CE1 3.54Å; W232-Y236 HydrophobicContact CZ3-CE1 3.54Å; W232-Y236 AromaticContact CZ3-CZ 3.85Å; W232-Y236 WeakPolarHBondContact CZ3-OH 3.23Å; W232-Y236 WeakPolarHBondContact O-CD1 3.42Å; W232-Y236 PolarHBondContact O-N 3.32Å; W232-L246 HydrophobicContact CB-CB 4.1Å; W232-L246 HydrophobicContact CB-CD2 4.05Å; W232-L246 HydrophobicContact CD2-CD2 4.08Å; W232-L246 HydrophobicContact CE3-CD2 4.39Å; W232-L246 HydrophobicContact CG-CD2 3.94Å
233D98Very high96.6Very high37 Ų3761.2 Ų61.220%0.19831%0.311CS..Hα-helixtrans-60.3-43.6178.5-66.6-10.8000111.5M229 Y236 S237 T245 L246M229-D233 WeakPolarHBondContact O-CB 3.16Å; M229-D233 PolarHBondContact O-N 3.28Å; D233-Y236 PolarHBondContact O-N 2.79Å; D233-S237 VanDerWaalsContact O-CB 3.28Å; D233-S237 WeakPolarHBondContact O-CB 3.32Å; D233-S237 PolarHBondContact O-N 3.39Å; D233-S237 PolarHBondContact O-OG 3.29Å; D233-T245 HydrophobicContact CB-CG2 4.4Å; D233-T245 WeakPolarHBondContact OD1-CA 3.47Å; D233-T245 WeakPolarHBondContact OD1-CB 3.33Å; D233-L246 PolarHBondContact OD1-N 2.95Å
234Q98.5Very high96.9Very high117 Ų11753 Ų5355%0.54728%0.28SS..Hα-helixtrans-60.9-50174.1-179.8179-4.700111K230 W232 Y236 S237 E238K230-Q234 VanDerWaalsContact O-CB 3.3Å; K230-Q234 WeakPolarHBondContact O-CB 3.38Å; K230-Q234 PolarHBondContact O-N 2.95Å; W232-Q234 VanDerWaalsContact C-N 3.33Å; W232-Q234 PolarHBondContact O-N 2.97Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.26Å; Q234-S237 PolarHBondContact O-N 3.07Å; Q234-E238 HydrophobicContact CG-CG 4.4Å; Q234-E238 VanDerWaalsContact CG-OE1 3.3Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.37Å; Q234-E238 PolarHBondContact NE2-OE1 3.03Å; Q234-E238 WeakPolarHBondContact O-CB 3.35Å; Q234-E238 VanDerWaalsContact O-CG 3.3Å; Q234-E238 WeakPolarHBondContact O-CG 3.42Å; Q234-E238 PolarHBondContact O-N 3.46Å
235F98.6Very high97.1Very high17 Ų1755 Ų558%0.07529%0.293CS..Hα-helixtrans-59-43.4179.7169.9-119.1000111.9R124 C127 K128 V131 L159 K231 W232 E238 V239R124-F235 HydrophobicContact CG-CD1 3.83Å; R124-F235 HydrophobicContact CG-CE1 4.29Å; R124-F235 HydrophobicContact CG-CG 4.27Å; C127-F235 HydrophobicContact CB-CE1 4.02Å; C127-F235 HydrophobicContact CB-CZ 4.36Å; K128-F235 HydrophobicContact CB-CE2 3.86Å; K128-F235 HydrophobicContact CB-CZ 3.92Å; K128-F235 HydrophobicContact CG-CE2 4.01Å; V131-F235 HydrophobicContact CG2-CE2 4.03Å; V131-F235 HydrophobicContact CG2-CZ 3.73Å; L159-F235 HydrophobicContact CD2-CE1 3.99Å; L159-F235 HydrophobicContact CD2-CZ 4.26Å; K231-F235 VanDerWaalsContact O-CB 3.23Å; K231-F235 WeakPolarHBondContact O-CB 3.28Å; K231-F235 PolarHBondContact O-N 3.19Å; W232-F235 HydrophobicContact CE3-CD1 4.29Å; W232-F235 HydrophobicContact CZ3-CD1 4.47Å; W232-F235 PolarHBondContact O-N 3.14Å; F235-E238 PolarHBondContact O-N 3.41Å; F235-V239 HydrophobicContact CD2-CG2 3.93Å; F235-V239 HydrophobicContact CE2-CG2 3.51Å; F235-V239 HydrophobicContact CZ-CG2 3.95Å; F235-V239 VanDerWaalsContact O-CG2 3.29Å; F235-V239 WeakPolarHBondContact O-CG2 3.37Å; F235-V239 PolarHBondContact O-N 2.98Å
236Y98.6Very high97.3Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-68.5-42.3-179.8-81.827.4000111.1C156 E158 L159 W232 D233 Q234 E238 V239 L240 L246 T249C156-Y236 WeakPolarHBondContact CA-OH 3.47Å; C156-Y236 PolarHBondContact N-OH 3.29Å; E158-Y236 HydrophobicContact CG-CE2 4.02Å; E158-Y236 PolarHBondContact OE1-OH 3.48Å; L159-Y236 HydrophobicContact CB-CD2 4.39Å; L159-Y236 HydrophobicContact CB-CE1 4.12Å; L159-Y236 HydrophobicContact CB-CE2 3.91Å; L159-Y236 HydrophobicContact CD1-CD1 4.45Å; L159-Y236 HydrophobicContact CD1-CD2 4.39Å; L159-Y236 HydrophobicContact CD1-CG 4.25Å; L159-Y236 HydrophobicContact CD2-CD1 3.89Å; L159-Y236 HydrophobicContact CD2-CE1 3.74Å; L159-Y236 HydrophobicContact CD2-CG 4.49Å; L159-Y236 HydrophobicContact CG-CE1 4.43Å; W232-Y236 HydrophobicContact CE3-CD1 4.13Å; W232-Y236 AromaticContact CE3-CE1 3.39Å; W232-Y236 HydrophobicContact CE3-CE1 3.39Å; W232-Y236 AromaticContact CE3-CZ 3.84Å; W232-Y236 AromaticContact CZ3-CE1 3.54Å; W232-Y236 HydrophobicContact CZ3-CE1 3.54Å; W232-Y236 AromaticContact CZ3-CZ 3.85Å; W232-Y236 WeakPolarHBondContact CZ3-OH 3.23Å; W232-Y236 WeakPolarHBondContact O-CD1 3.42Å; W232-Y236 PolarHBondContact O-N 3.32Å; D233-Y236 PolarHBondContact O-N 2.79Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.26Å; Y236-E238 VanDerWaalsContact C-N 3.33Å; Y236-E238 PolarHBondContact O-N 3.43Å; Y236-V239 PolarHBondContact O-N 2.87Å; Y236-L240 WeakPolarHBondContact O-CB 3.35Å; Y236-L240 WeakPolarHBondContact O-CG 3.42Å; Y236-L240 PolarHBondContact O-N 3.5Å; Y236-L246 HydrophobicContact CD2-CD1 4.43Å; Y236-L246 HydrophobicContact CE2-CB 4.45Å; Y236-L246 HydrophobicContact CE2-CD1 3.55Å; Y236-T249 HydrophobicContact CD2-CG2 3.98Å; Y236-T249 WeakPolarHBondContact CD2-OG1 3.36Å; Y236-T249 HydrophobicContact CE2-CG2 4.47Å; Y236-T249 VanDerWaalsContact CE2-OG1 3.28Å; Y236-T249 WeakPolarHBondContact CE2-OG1 3.16Å
237S98.7Very high97.5Very high31 Ų3151.9 Ų51.922%0.21728%0.282CS..Hα-helixtrans-61.1-41.6176.3-63.90000112.3D233 Q234 G241 R242 T244D233-S237 VanDerWaalsContact O-CB 3.28Å; D233-S237 WeakPolarHBondContact O-CB 3.32Å; D233-S237 PolarHBondContact O-N 3.39Å; D233-S237 PolarHBondContact O-OG 3.29Å; Q234-S237 PolarHBondContact O-N 3.07Å; S237-G241 WeakPolarHBondContact O-CA 3.23Å; S237-G241 PolarHBondContact O-N 3.32Å; S237-R242 VanDerWaalsContact CA-O 3.22Å; S237-R242 WeakPolarHBondContact CA-O 3.06Å; S237-R242 PolarHBondContact O-N 2.83Å; S237-T244 PolarHBondContact OG-N 3.49Å; S237-T244 PolarHBondContact OG-O 3.47Å
238E98.4Very high97.6Very high128 Ų12855.6 Ų55.660%0.59830%0.299SS*.Hα-helixtrans-64.5-44.3176.7-75.8174.6-171.800112Q234 F235 Y236Q234-E238 HydrophobicContact CG-CG 4.4Å; Q234-E238 VanDerWaalsContact CG-OE1 3.3Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.37Å; Q234-E238 PolarHBondContact NE2-OE1 3.03Å; Q234-E238 WeakPolarHBondContact O-CB 3.35Å; Q234-E238 VanDerWaalsContact O-CG 3.3Å; Q234-E238 WeakPolarHBondContact O-CG 3.42Å; Q234-E238 PolarHBondContact O-N 3.46Å; F235-E238 PolarHBondContact O-N 3.41Å; Y236-E238 VanDerWaalsContact C-N 3.33Å; Y236-E238 PolarHBondContact O-N 3.43Å
239V98.3Very high97.7Very high48 Ų4854 Ų5429%0.29129%0.29SS..Hα-helixtrans-69-40.9-179173.20000111.8V131 L159 L163 F235 Y236V131-V239 HydrophobicContact CB-CG1 4.32Å; V131-V239 HydrophobicContact CG2-CG1 4.38Å; V131-V239 HydrophobicContact CG2-CG2 3.92Å; L159-V239 HydrophobicContact CD1-CB 4.35Å; L159-V239 HydrophobicContact CD1-CG1 4.06Å; L159-V239 HydrophobicContact CD2-CB 4.32Å; L159-V239 HydrophobicContact CD2-CG1 4.07Å; L159-V239 HydrophobicContact CD2-CG2 4.47Å; L159-V239 HydrophobicContact CG-CG1 4.36Å; L163-V239 HydrophobicContact CD1-CG1 3.96Å; L163-V239 HydrophobicContact CD2-CG1 4.25Å; F235-V239 HydrophobicContact CD2-CG2 3.93Å; F235-V239 HydrophobicContact CE2-CG2 3.51Å; F235-V239 HydrophobicContact CZ-CG2 3.95Å; F235-V239 VanDerWaalsContact O-CG2 3.29Å; F235-V239 WeakPolarHBondContact O-CG2 3.37Å; F235-V239 PolarHBondContact O-N 2.98Å; Y236-V239 PolarHBondContact O-N 2.87Å
240L98Very high97.9Very high36 Ų3652 Ų5219%0.18828%0.281CS..Hα-helixtrans-82.5-14.4-179.4-66.6170.7000113.3L159 E162 L163 Y236 R242 T244L159-L240 HydrophobicContact CD1-CD1 3.88Å; L159-L240 HydrophobicContact CD1-CD2 3.87Å; L159-L240 HydrophobicContact CD1-CG 3.65Å; E162-L240 HydrophobicContact CB-CD1 4.43Å; E162-L240 HydrophobicContact CB-CD2 3.87Å; L163-L240 HydrophobicContact CD2-CD2 3.85Å; L163-L240 HydrophobicContact CG-CD2 4.1Å; Y236-L240 WeakPolarHBondContact O-CB 3.35Å; Y236-L240 WeakPolarHBondContact O-CG 3.42Å; Y236-L240 PolarHBondContact O-N 3.5Å; L240-R242 HydrophobicContact CB-CG 4.08Å; L240-R242 PolarHBondContact O-N 2.74Å; L240-T244 HydrophobicContact CD1-CG2 3.69Å
241G97.9Very high98Very high72 Ų7246.5 Ų46.574%0.74227%0.267SS*.THydrogen-bonded Turntrans68.818.2-177.500000114.1S237S237-G241 WeakPolarHBondContact O-CA 3.23Å; S237-G241 PolarHBondContact O-N 3.32Å
242R98.2Very high97.9Very high89 Ų8946.5 Ų46.534%0.33627%0.267SS..SBendtrans-146149.917863.3176.7-179.880.9-1110.1E162 S237 L240 T244 E248E162-R242 VanDerWaalsContact CD-NH2 3.28Å; E162-R242 IonicContact OE1-NH2 3.95Å; E162-R242 PolarHBondContact OE1-NH2 3.41Å; E162-R242 IonicContact OE2-CZ 3.95Å; E162-R242 IonicContact OE2-NH2 3.41Å; E162-R242 PolarHBondContact OE2-NH2 2.93Å; S237-R242 VanDerWaalsContact CA-O 3.22Å; S237-R242 WeakPolarHBondContact CA-O 3.06Å; S237-R242 PolarHBondContact O-N 2.83Å; L240-R242 HydrophobicContact CB-CG 4.08Å; L240-R242 PolarHBondContact O-N 2.74Å; R242-T244 PolarHBondContact O-N 2.8Å; R242-E248 IonicContact NH1-OE1 2.72Å
243P98.3Very high98Very high118 Ų11846.8 Ų46.877%0.76627%0.269SS*.  trans-56.5130.6173.4-23.734.1000111.4
244T98.1Very high97.9Very high7 Ų749 Ų494%0.04328%0.282CS..  trans-159.1172170-161.10000110.3S237 L240 R242 E248 T249S237-T244 PolarHBondContact OG-N 3.49Å; S237-T244 PolarHBondContact OG-O 3.47Å; L240-T244 HydrophobicContact CD1-CG2 3.69Å; R242-T244 PolarHBondContact O-N 2.8Å; T244-E248 WeakPolarHBondContact CA-OE2 3.24Å; T244-E248 PolarHBondContact OG1-OE1 2.84Å; T244-E248 PolarHBondContact OG1-OE2 3.25Å; T244-T249 HydrophobicContact CG2-CG2 4.25Å
245T97.9Very high97.9Very high52 Ų5245.5 Ų45.532%0.31927%0.268SS..  trans-123.9156.9173.167.70000110.5D233 S247 E248 T249D233-T245 HydrophobicContact CB-CG2 4.4Å; D233-T245 WeakPolarHBondContact OD1-CA 3.47Å; D233-T245 WeakPolarHBondContact OD1-CB 3.33Å; T245-S247 PolarHBondContact O-N 3.34Å; T245-E248 PolarHBondContact O-N 3.3Å; T245-E248 VanDerWaalsContact OG1-CB 3.32Å; T245-E248 WeakPolarHBondContact OG1-CB 3.34Å; T245-E248 PolarHBondContact OG1-N 3.05Å; T245-T249 PolarHBondContact O-N 3.02Å; T245-T249 VanDerWaalsContact O-N 3.09Å; T245-T249 PolarHBondContact O-OG1 2.85Å
246L97.1Very high97.9Very high0 Ų044.8 Ų44.80%027%0.265CS..Hα-helixtrans-54-46.9171.1170.459.1000109.9P155 E158 F227 M229 W232 D233 Y236 E248 T249 M250P155-L246 HydrophobicContact CB-CD1 3.85Å; P155-L246 HydrophobicContact CB-CD2 4.34Å; P155-L246 HydrophobicContact CG-CD2 4.23Å; E158-L246 HydrophobicContact CG-CD1 4.38Å; E158-L246 WeakPolarHBondContact OE1-CD1 3.07Å; F227-L246 HydrophobicContact CD2-CD2 4.24Å; M229-L246 HydrophobicContact CE-CB 4.03Å; M229-L246 HydrophobicContact CE-CD2 4.03Å; M229-L246 HydrophobicContact CE-CG 4.25Å; M229-L246 HydrophobicContact SD-CD2 4.22Å; W232-L246 HydrophobicContact CB-CB 4.1Å; W232-L246 HydrophobicContact CB-CD2 4.05Å; W232-L246 HydrophobicContact CD2-CD2 4.08Å; W232-L246 HydrophobicContact CE3-CD2 4.39Å; W232-L246 HydrophobicContact CG-CD2 3.94Å; D233-L246 PolarHBondContact OD1-N 2.95Å; Y236-L246 HydrophobicContact CD2-CD1 4.43Å; Y236-L246 HydrophobicContact CE2-CB 4.45Å; Y236-L246 HydrophobicContact CE2-CD1 3.55Å; L246-E248 VanDerWaalsContact C-N 3.34Å; L246-E248 PolarHBondContact O-N 3.19Å; L246-T249 PolarHBondContact O-N 2.88Å; L246-T249 VanDerWaalsContact O-N 3.16Å; L246-T249 PolarHBondContact O-OG1 2.89Å; L246-M250 HydrophobicContact CD1-CG 3.8Å; L246-M250 HydrophobicContact CD1-SD 3.91Å; L246-M250 HydrophobicContact CD2-SD 4.44Å; L246-M250 HydrophobicContact CG-CG 4.24Å; L246-M250 HydrophobicContact CG-SD 3.88Å; L246-M250 VanDerWaalsContact O-CG 3.3Å; L246-M250 WeakPolarHBondContact O-CG 3.05Å; L246-M250 PolarHBondContact O-N 3.02Å
247S96.6Very high97.8Very high25 Ų2546 Ų4618%0.17527%0.271CS..Hα-helixtrans-61.1-39.1179.8-163.20000113.2H183 S184 T245 M250 G251H183-S247 PolarHBondContact O-OG 2.85Å; S184-S247 PolarHBondContact OG-OG 3.49Å; T245-S247 PolarHBondContact O-N 3.34Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-G251 PolarHBondContact O-N 3.1Å
248E97.6Very high97.6Very high79 Ų7944.8 Ų44.837%0.36926%0.262SS..Hα-helixtrans-63.1-44.3175.9-173.2-155.9140.400111R242 T244 T245 L246 G251 K252R242-E248 IonicContact NH1-OE1 2.72Å; T244-E248 WeakPolarHBondContact CA-OE2 3.24Å; T244-E248 PolarHBondContact OG1-OE1 2.84Å; T244-E248 PolarHBondContact OG1-OE2 3.25Å; T245-E248 PolarHBondContact O-N 3.3Å; T245-E248 VanDerWaalsContact OG1-CB 3.32Å; T245-E248 WeakPolarHBondContact OG1-CB 3.34Å; T245-E248 PolarHBondContact OG1-N 3.05Å; L246-E248 VanDerWaalsContact C-N 3.34Å; L246-E248 PolarHBondContact O-N 3.19Å; E248-G251 PolarHBondContact O-N 3.35Å; E248-K252 IonicContact OE1-NZ 2.73Å; E248-K252 PolarHBondContact OE1-NZ 2.88Å
249T98Very high97.4Very high0 Ų039.8 Ų39.80%024%0.238CC..Hα-helixtrans-67.5-41.4177.9560000112.3E158 E162 F168 Y236 T244 T245 L246 G251 K252E158-T249 WeakPolarHBondContact CG-OG1 2.99Å; E162-T249 HydrophobicContact CG-CG2 4.21Å; F168-T249 WeakPolarHBondContact CZ-O 3.06Å; Y236-T249 HydrophobicContact CD2-CG2 3.98Å; Y236-T249 WeakPolarHBondContact CD2-OG1 3.36Å; Y236-T249 HydrophobicContact CE2-CG2 4.47Å; Y236-T249 VanDerWaalsContact CE2-OG1 3.28Å; Y236-T249 WeakPolarHBondContact CE2-OG1 3.16Å; T244-T249 HydrophobicContact CG2-CG2 4.25Å; T245-T249 PolarHBondContact O-N 3.02Å; T245-T249 VanDerWaalsContact O-N 3.09Å; T245-T249 PolarHBondContact O-OG1 2.85Å; L246-T249 PolarHBondContact O-N 2.88Å; L246-T249 VanDerWaalsContact O-N 3.16Å; L246-T249 PolarHBondContact O-OG1 2.89Å; T249-G251 VanDerWaalsContact C-N 3.29Å; T249-G251 PolarHBondContact O-N 3.39Å; T249-K252 WeakPolarHBondContact O-CB 3.39Å; T249-K252 PolarHBondContact O-N 2.64Å
250M97.9Very high96.9Very high1 Ų139.4 Ų39.41%0.00523%0.234CC..Hα-helixtrans-61.4-37.6174.8-69.1-177.277.100112A152 E158 Y170 F180 L246 S247 K252 A253 W256A152-M250 HydrophobicContact CB-CE 4.02Å; E158-M250 HydrophobicContact CG-CG 4.14Å; Y170-M250 HydrophobicContact CE2-CB 4.04Å; Y170-M250 HydrophobicContact CE2-CE 4.18Å; Y170-M250 HydrophobicContact CE2-CG 4.28Å; Y170-M250 WeakPolarHBondContact OH-CG 3.21Å; F180-M250 HydrophobicContact CB-CE 4.11Å; F180-M250 HydrophobicContact CD1-CE 3.89Å; F180-M250 HydrophobicContact CD1-SD 4.01Å; F180-M250 HydrophobicContact CD2-CE 3.79Å; F180-M250 HydrophobicContact CE1-CE 4.21Å; F180-M250 HydrophobicContact CE1-SD 4.04Å; F180-M250 HydrophobicContact CE2-CE 4.11Å; F180-M250 HydrophobicContact CG-CE 3.68Å; F180-M250 HydrophobicContact CG-SD 4.42Å; F180-M250 HydrophobicContact CZ-CE 4.31Å; F180-M250 HydrophobicContact CZ-SD 4.46Å; L246-M250 HydrophobicContact CD1-CG 3.8Å; L246-M250 HydrophobicContact CD1-SD 3.91Å; L246-M250 HydrophobicContact CD2-SD 4.44Å; L246-M250 HydrophobicContact CG-CG 4.24Å; L246-M250 HydrophobicContact CG-SD 3.88Å; L246-M250 VanDerWaalsContact O-CG 3.3Å; L246-M250 WeakPolarHBondContact O-CG 3.05Å; L246-M250 PolarHBondContact O-N 3.02Å; S247-M250 PolarHBondContact O-N 3.43Å; M250-K252 PolarHBondContact O-N 3.32Å; M250-K252 VanDerWaalsContact O-N 3.14Å; M250-A253 WeakPolarHBondContact O-CB 3.25Å; M250-A253 PolarHBondContact O-N 3.48Å; M250-W256 HydrophobicContact CE-CH2 4.41Å
251G97Very high96.4Very high38 Ų3839 Ų3939%0.39223%0.234SC..THydrogen-bonded Turntrans-68.3-6.7178.900000115.2S184 S247 E248 T249 A253S184-G251 WeakPolarHBondContact O-CA 3.32Å; S247-G251 PolarHBondContact O-N 3.1Å; E248-G251 PolarHBondContact O-N 3.35Å; T249-G251 VanDerWaalsContact C-N 3.29Å; T249-G251 PolarHBondContact O-N 3.39Å; G251-A253 VanDerWaalsContact C-N 3.3Å
252K97.3Very high95.8Very high82 Ų8244.1 Ų44.136%0.35723%0.231SC..THydrogen-bonded Turntrans-87.23.8173.7-68.5167.9179.6158.50113.6E162 F168 E248 T249 M250 D254E162-K252 WeakPolarHBondContact OE1-CD 3.4Å; E162-K252 WeakPolarHBondContact OE1-CE 3.26Å; E162-K252 IonicContact OE1-NZ 3.09Å; E162-K252 PolarHBondContact OE1-NZ 3.07Å; F168-K252 VanDerWaalsContact CE1-C 3.42Å; F168-K252 HydrophobicContact CE1-CB 3.98Å; F168-K252 WeakPolarHBondContact CE1-O 3.47Å; F168-K252 HydrophobicContact CZ-CB 4.36Å; E248-K252 IonicContact OE1-NZ 2.73Å; E248-K252 PolarHBondContact OE1-NZ 2.88Å; T249-K252 WeakPolarHBondContact O-CB 3.39Å; T249-K252 PolarHBondContact O-N 2.64Å; M250-K252 PolarHBondContact O-N 3.32Å; M250-K252 VanDerWaalsContact O-N 3.14Å; K252-D254 PolarHBondContact O-N 3.02Å
253A98.1Very high95.3Very high5 Ų544.6 Ų44.64%0.04124%0.241CC..  trans-59.8128178.200000110.9F168 Y170 M250 G251 V255 W256F168-A253 HydrophobicContact CD2-CB 4.04Å; F168-A253 HydrophobicContact CE1-CB 4.42Å; F168-A253 HydrophobicContact CE2-CB 3.4Å; F168-A253 VanDerWaalsContact CE2-CB 3.4Å; F168-A253 HydrophobicContact CZ-CB 3.64Å; Y170-A253 HydrophobicContact CD2-CB 3.63Å; Y170-A253 HydrophobicContact CE2-CB 4.08Å; Y170-A253 HydrophobicContact CG-CB 4.41Å; M250-A253 WeakPolarHBondContact O-CB 3.25Å; M250-A253 PolarHBondContact O-N 3.48Å; G251-A253 VanDerWaalsContact C-N 3.3Å; A253-V255 VanDerWaalsContact C-N 3.31Å; A253-V255 PolarHBondContact O-N 3.43Å; A253-W256 HydrophobicContact CB-CZ2 4.3Å
254D97.8Very high94.7Very high85 Ų8547.2 Ų47.246%0.45524%0.241SC..SBendtrans-68.9-33.7-179.5-64-92.6000111.6P167 F168 K252 N273P167-D254 WeakPolarHBondContact CA-OD2 3.44Å; P167-D254 WeakPolarHBondContact CB-OD2 3.41Å; F168-D254 PolarHBondContact N-OD2 3.47Å; F168-D254 PolarHBondContact O-N 3.15Å; K252-D254 PolarHBondContact O-N 3.02Å; D254-N273 WeakPolarHBondContact O-CB 3.03Å
255V97.8Very high94.2Very high43 Ų4349 Ų4926%0.26125%0.248SC..EExtended strand (participates in β ladder)trans-144.9140.3178.1178.80000110.9V169 Y170 A253 L257 N273V169-V255 WeakPolarHBondContact CA-O 3.26Å; V169-V255 HydrophobicContact CG1-CB 3.97Å; V169-V255 HydrophobicContact CG1-CG1 4.25Å; V169-V255 HydrophobicContact CG2-CB 4.12Å; Y170-V255 PolarHBondContact N-O 3.31Å; A253-V255 VanDerWaalsContact C-N 3.31Å; A253-V255 PolarHBondContact O-N 3.43Å; V255-L257 HydrophobicContact CG1-CD2 3.62Å; V255-L257 HydrophobicContact CG1-CG 4.14Å; V255-N273 CarbonylContact C-O 3.55Å; V255-N273 WeakPolarHBondContact CA-O 3.15Å
256W97.6Very high93.9Very high1 Ų149.2 Ų49.20%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-110106.7169.2-67.979.4000110.3A152 Y170 L172 G185 F187 M250 A253 I258 N273 V274 D275A152-W256 HydrophobicContact CB-CZ3 4.01Å; Y170-W256 HydrophobicContact CD2-CD2 4.18Å; Y170-W256 HydrophobicContact CD2-CE3 4.03Å; Y170-W256 AromaticContact CD2-CH2 3.56Å; Y170-W256 HydrophobicContact CD2-CH2 3.56Å; Y170-W256 AromaticContact CD2-CZ2 3.7Å; Y170-W256 HydrophobicContact CD2-CZ2 3.7Å; Y170-W256 AromaticContact CD2-CZ3 3.73Å; Y170-W256 HydrophobicContact CD2-CZ3 3.73Å; Y170-W256 AromaticContact CE2-CH2 3.86Å; Y170-W256 HydrophobicContact CE2-CH2 3.86Å; Y170-W256 HydrophobicContact CE2-CZ2 4.06Å; Y170-W256 HydrophobicContact CE2-CZ3 4.39Å; Y170-W256 HydrophobicContact CG-CE3 4.49Å; Y170-W256 HydrophobicContact CG-CZ3 4.39Å; L172-W256 HydrophobicContact CD2-CE3 4.34Å; L172-W256 HydrophobicContact CD2-CZ3 3.96Å; G185-W256 VanDerWaalsContact CA-CZ2 3.5Å; F187-W256 HydrophobicContact CE2-CB 4.45Å; F187-W256 HydrophobicContact CE2-CD2 4.4Å; F187-W256 HydrophobicContact CE2-CG 4.27Å; F187-W256 HydrophobicContact CZ-CB 4.35Å; M250-W256 HydrophobicContact CE-CH2 4.41Å; A253-W256 HydrophobicContact CB-CZ2 4.3Å; W256-I258 HydrophobicContact CB-CD1 4.43Å; W256-I258 PolarHBondContact O-N 2.87Å; W256-N273 PolarHBondContact N-O 3.43Å; W256-V274 HydrophobicContact CB-CG2 4.12Å; W256-V274 WeakPolarHBondContact O-CA 3.24Å; W256-D275 PolarHBondContact O-N 3.11Å
257L96.9Very high93.5Very high27 Ų2753.6 Ų53.614%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-87.2101.4173.2-58-175.6000110.2I42 F149 V169 Y170 S171 L172 V255 R259 D275 V277I42-L257 HydrophobicContact CD1-CD1 4.42Å; F149-L257 HydrophobicContact CE2-CD1 3.97Å; V169-L257 HydrophobicContact CG1-CD1 3.94Å; V169-L257 HydrophobicContact CG1-CG 3.87Å; Y170-L257 WeakPolarHBondContact O-CB 3.49Å; Y170-L257 PolarHBondContact O-N 3.23Å; S171-L257 VanDerWaalsContact CA-O 3.28Å; S171-L257 WeakPolarHBondContact CA-O 3.42Å; L172-L257 PolarHBondContact N-O 3.13Å; V255-L257 HydrophobicContact CG1-CD2 3.62Å; V255-L257 HydrophobicContact CG1-CG 4.14Å; L257-R259 PolarHBondContact O-N 2.94Å; L257-D275 CarbonylContact C-O 3.53Å; L257-D275 WeakPolarHBondContact CA-O 3.4Å; L257-D275 HydrophobicContact CD2-CB 3.96Å; L257-V277 HydrophobicContact CB-CG1 4.27Å; L257-V277 HydrophobicContact CB-CG2 3.8Å; L257-V277 HydrophobicContact CD2-CG1 3.99Å
258I95.5Very high93.3Very high5 Ų553.7 Ų53.73%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-83.1117-179.8-55.5-56.5000109.9L172 F187 W256 N260 V274 D275 F276 V277L172-I258 HydrophobicContact CB-CD1 4.3Å; L172-I258 CarbonylContact O-C 3.48Å; L172-I258 VanDerWaalsContact O-CA 3.26Å; L172-I258 WeakPolarHBondContact O-CA 3.43Å; F187-I258 HydrophobicContact CE1-CD1 4.17Å; F187-I258 HydrophobicContact CE1-CG1 4.15Å; F187-I258 HydrophobicContact CZ-CD1 3.82Å; F187-I258 HydrophobicContact CZ-CG1 4.02Å; W256-I258 HydrophobicContact CB-CD1 4.43Å; W256-I258 PolarHBondContact O-N 2.87Å; I258-N260 HydrophobicContact CG2-CB 4.26Å; I258-N260 PolarHBondContact O-N 3.4Å; I258-V274 HydrophobicContact CG1-CG1 3.85Å; I258-D275 PolarHBondContact N-O 3.28Å; I258-F276 HydrophobicContact CB-CD1 3.96Å; I258-F276 HydrophobicContact CB-CE1 4.11Å; I258-F276 HydrophobicContact CG2-CD1 3.91Å; I258-F276 HydrophobicContact CG2-CE1 3.81Å; I258-F276 WeakPolarHBondContact O-CA 3.45Å; I258-V277 PolarHBondContact O-N 3.27Å
259R92.9Very high93Very high22 Ų2253 Ų538%0.08327%0.272CS..SBendtrans-75.937.1-176.3-61.3-171-66.5-946.3113.8H35 D151 S171 L172 L257 V277 L280H35-R259 PolarHBondContact ND1-NH2 2.82Å; D151-R259 IonicContact OD1-NH2 2.75Å; D151-R259 IonicContact OD2-CZ 3.97Å; D151-R259 IonicContact OD2-NH1 2.77Å; D151-R259 PolarHBondContact OD2-NH1 3.19Å; D151-R259 IonicContact OD2-NH2 2.69Å; D151-R259 PolarHBondContact OD2-NH2 3.43Å; S171-R259 PolarHBondContact O-NH1 2.96Å; S171-R259 WeakPolarHBondContact OG-CD 3.41Å; S171-R259 WeakPolarHBondContact OG-CG 3.43Å; S171-R259 PolarHBondContact OG-NH1 3.46Å; L172-R259 PolarHBondContact O-N 2.95Å; L257-R259 PolarHBondContact O-N 2.94Å; R259-V277 HydrophobicContact CG-CG2 4.39Å; R259-L280 HydrophobicContact CG-CD1 4.48Å
260N88.3Confident92.6Very high40 Ų4057.7 Ų57.721%0.21430%0.297CS..SBendtrans-130.5166.8174.1-72.6-44.5000109.1S173 I258 Q265 F276 G278S173-N260 PolarHBondContact O-ND2 3.32Å; S173-N260 VanDerWaalsContact O-ND2 3.13Å; I258-N260 HydrophobicContact CG2-CB 4.26Å; I258-N260 PolarHBondContact O-N 3.4Å; N260-Q265 HydrophobicContact CB-CG 4.2Å; N260-F276 WeakPolarHBondContact O-CB 3.34Å; N260-F276 WeakPolarHBondContact O-CD1 3.45Å; N260-G278 VanDerWaalsContact C-CA 3.44Å; N260-G278 VanDerWaalsContact O-CA 3.27Å; N260-G278 WeakPolarHBondContact O-CA 3.41Å; N260-G278 PolarHBondContact O-N 3.09Å
261S88.1Confident92.4Very high28 Ų2860.2 Ų60.220%0.19631%0.31CS..  trans-98.2142.2170.1-176.40000109.3N263 F264 Q265S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.08Å; S261-N263 PolarHBondContact OG-N 3.16Å; S261-F264 PolarHBondContact O-N 3.5Å; S261-Q265 WeakPolarHBondContact O-CG 3.45Å
262W85.2Confident92.3Very high179 Ų17964.9 Ų64.968%0.67833%0.334SS*.G310 helixtrans-53.1-27.4171.869.3-87.1000112.7F264 Q265 F276W262-F264 VanDerWaalsContact C-N 3.26Å; W262-F264 PolarHBondContact O-N 3.47Å; W262-Q265 PolarHBondContact O-N 3.39Å; W262-F276 HydrophobicContact CB-CD2 4.22Å; W262-F276 HydrophobicContact CB-CE2 4.48Å; W262-F276 HydrophobicContact CB-CG 4.39Å
263N86.8Confident92.2Very high100 Ų10063.5 Ų63.554%0.53533%0.33SS..G310 helixtrans-66.1-22.3176-68.2-36.6000114.4S261S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.08Å; S261-N263 PolarHBondContact OG-N 3.16Å
264F86.7Confident92.1Very high173 Ų17363.7 Ų63.776%0.75933%0.331SS*.G310 helixtrans-110.413.5-178.7-60.9-65000112.2S261 W262S261-F264 PolarHBondContact O-N 3.5Å; W262-F264 VanDerWaalsContact C-N 3.26Å; W262-F264 PolarHBondContact O-N 3.47Å
265Q86.8Confident92Very high45 Ų4564.2 Ų64.221%0.2133%0.334CS..SBendtrans-115.9150.2-179.2-65.7-64.8-58.500109.8N260 S261 W262 Y268 F276N260-Q265 HydrophobicContact CB-CG 4.2Å; S261-Q265 WeakPolarHBondContact O-CG 3.45Å; W262-Q265 PolarHBondContact O-N 3.39Å; Q265-Y268 HydrophobicContact CB-CE1 4.33Å; Q265-F276 HydrophobicContact CG-CE1 4Å
266F91.1Very high91.8Very high56 Ų5664.5 Ų64.525%0.24633%0.332CS..  trans-66.6146.6169.5-57.7-64.5000109.5V194 P195 D203 Y268V194-F266 HydrophobicContact CG1-CB 4.26Å; V194-F266 HydrophobicContact CG2-CB 4.43Å; P195-F266 VanDerWaalsContact CD-CD2 3.48Å; P195-F266 HydrophobicContact CG-CD2 3.63Å; P195-F266 HydrophobicContact CG-CE1 4.19Å; P195-F266 HydrophobicContact CG-CE2 3.17Å; P195-F266 HydrophobicContact CG-CG 4.3Å; P195-F266 HydrophobicContact CG-CZ 3.47Å; P195-F266 VanDerWaalsContact CG-CZ 3.47Å; D203-F266 HydrophobicContact CB-CD1 3.65Å; D203-F266 HydrophobicContact CB-CE1 3.95Å; F266-Y268 WeakPolarHBondContact O-CD1 3.49Å; F266-Y268 WeakPolarHBondContact O-CE1 3.42Å; F266-Y268 PolarHBondContact O-N 3.19Å
267P90Very high91.6Very high92 Ų9266.1 Ų66.160%0.59734%0.341SS*.  trans-65.7125.2178.926.9-33.3000109.5Y193Y193-P267 VanDerWaalsContact CE2-O 3.23Å; Y193-P267 WeakPolarHBondContact CE2-O 3.3Å
268Y91.6Very high91.3Very high26 Ų2666.3 Ų66.310%0.10235%0.35CS..  trans-146.8159.3171.657.4-99.7000110.8F187 F189 Q265 F266 L270 F276F187-Y268 AromaticContact CD1-CE2 3.93Å; F187-Y268 HydrophobicContact CD1-CE2 3.93Å; F187-Y268 HydrophobicContact CE1-CE2 4.31Å; F189-Y268 AromaticContact CD1-CD1 3.85Å; F189-Y268 HydrophobicContact CD1-CD1 3.85Å; F189-Y268 HydrophobicContact CD1-CD2 4.27Å; F189-Y268 HydrophobicContact CD1-CE1 4.19Å; F189-Y268 AromaticContact CD1-CG 3.91Å; F189-Y268 HydrophobicContact CD1-CG 3.91Å; F189-Y268 AromaticContact CE1-CD1 3.76Å; F189-Y268 HydrophobicContact CE1-CD1 3.76Å; F189-Y268 AromaticContact CE1-CD2 3.97Å; F189-Y268 HydrophobicContact CE1-CD2 3.97Å; F189-Y268 AromaticContact CE1-CE1 3.63Å; F189-Y268 HydrophobicContact CE1-CE1 3.63Å; F189-Y268 AromaticContact CE1-CE2 3.84Å; F189-Y268 HydrophobicContact CE1-CE2 3.84Å; F189-Y268 AromaticContact CE1-CG 3.94Å; F189-Y268 HydrophobicContact CE1-CG 3.94Å; F189-Y268 AromaticContact CE1-CZ 3.67Å; F189-Y268 HydrophobicContact CZ-CE2 4.49Å; Q265-Y268 HydrophobicContact CB-CE1 4.33Å; F266-Y268 WeakPolarHBondContact O-CD1 3.49Å; F266-Y268 WeakPolarHBondContact O-CE1 3.42Å; F266-Y268 PolarHBondContact O-N 3.19Å; Y268-L270 HydrophobicContact CD2-CD2 3.92Å; Y268-L270 HydrophobicContact CE2-CD2 3.55Å; Y268-L270 PolarHBondContact O-N 3.45Å; Y268-F276 HydrophobicContact CE2-CZ 4.46Å; Y268-F276 AromaticContact CZ-CZ 3.98Å; Y268-F276 WeakPolarHBondContact OH-CZ 3.33Å
269P91.9Very high91Very high64 Ų6467.9 Ų67.942%0.41637%0.367SS..PPolyproline II helixtrans-58.6127.6178.5-24.334.9000112.2
270L89.6Confident90.8Very high100 Ų10069 Ų6952%0.52438%0.375SS..PPolyproline II helixtrans-95.9140.7177.5-58.1-178.6000110.9Y268 F276Y268-L270 HydrophobicContact CD2-CD2 3.92Å; Y268-L270 HydrophobicContact CE2-CD2 3.55Å; Y268-L270 PolarHBondContact O-N 3.45Å; L270-F276 HydrophobicContact CD1-CD2 4.44Å; L270-F276 HydrophobicContact CD1-CE2 3.76Å; L270-F276 HydrophobicContact CD2-CE2 3.48Å; L270-F276 VanDerWaalsContact CD2-CE2 3.48Å; L270-F276 HydrophobicContact CD2-CZ 3.79Å; L270-F276 HydrophobicContact CG-CE2 4.26Å
271L93.4Very high90.6Very high53 Ų5373.3 Ų73.328%0.27739%0.393SS..PPolyproline II helixtrans-89.6152.6175.1-59.7174000110.5G185 F187 N273 V274G185-L271 WeakPolarHBondContact O-CD1 3.36Å; F187-L271 HydrophobicContact CD2-CD1 4.38Å; L271-N273 WeakPolarHBondContact CB-OD1 3.36Å; L271-N273 PolarHBondContact O-N 2.8Å; L271-N273 VanDerWaalsContact O-N 3.13Å; L271-V274 HydrophobicContact CB-CG2 3.83Å; L271-V274 HydrophobicContact CD1-CG2 4.46Å; L271-V274 PolarHBondContact O-N 2.89Å; L271-V274 VanDerWaalsContact O-N 3.11Å
272P94.7Very high90.5Very high137 Ų13776.4 Ų76.489%0.8941%0.414SS*.THydrogen-bonded Turntrans-61.6-22.4-178.1-24.134.2000115.1
273N96.3Very high90.6Very high52 Ų5275 Ų7528%0.27841%0.413SS..THydrogen-bonded Turntrans-98.317.1179.866.2-39.2000113D254 V255 W256 L271D254-N273 WeakPolarHBondContact O-CB 3.03Å; V255-N273 CarbonylContact C-O 3.55Å; V255-N273 WeakPolarHBondContact CA-O 3.15Å; W256-N273 PolarHBondContact N-O 3.43Å; L271-N273 WeakPolarHBondContact CB-OD1 3.36Å; L271-N273 PolarHBondContact O-N 2.8Å; L271-N273 VanDerWaalsContact O-N 3.13Å
274V95.8Very high90.8Very high9 Ų976 Ų766%0.05542%0.424CS..EExtended strand (participates in β ladder)trans-117.2123.6-178.41760000109.7F187 W256 I258 L271F187-V274 HydrophobicContact CE1-CG1 3.8Å; F187-V274 HydrophobicContact CE1-CG2 4.14Å; F187-V274 HydrophobicContact CE2-CG2 3.56Å; F187-V274 HydrophobicContact CZ-CB 4.1Å; F187-V274 HydrophobicContact CZ-CG1 3.54Å; F187-V274 HydrophobicContact CZ-CG2 3.33Å; W256-V274 HydrophobicContact CB-CG2 4.12Å; W256-V274 WeakPolarHBondContact O-CA 3.24Å; I258-V274 HydrophobicContact CG1-CG1 3.85Å; L271-V274 HydrophobicContact CB-CG2 3.83Å; L271-V274 HydrophobicContact CD1-CG2 4.46Å; L271-V274 PolarHBondContact O-N 2.89Å; L271-V274 VanDerWaalsContact O-N 3.11Å
275D94.6Very high91.1Very high97 Ų9772.6 Ų72.652%0.51943%0.428SS..EExtended strand (participates in β ladder)trans-125.7137.1177.1-83.5-37.2000111.4W256 L257 I258W256-D275 PolarHBondContact O-N 3.11Å; L257-D275 CarbonylContact C-O 3.53Å; L257-D275 WeakPolarHBondContact CA-O 3.4Å; L257-D275 HydrophobicContact CD2-CB 3.96Å; I258-D275 PolarHBondContact N-O 3.28Å
276F94.3Very high91.3Very high49 Ų4979.1 Ų79.122%0.21546%0.456CS..EExtended strand (participates in β ladder)trans-87.5117.2174.4-71.3-84.5000110.7I258 N260 W262 Q265 Y268 L270I258-F276 HydrophobicContact CB-CD1 3.96Å; I258-F276 HydrophobicContact CB-CE1 4.11Å; I258-F276 HydrophobicContact CG2-CD1 3.91Å; I258-F276 HydrophobicContact CG2-CE1 3.81Å; I258-F276 WeakPolarHBondContact O-CA 3.45Å; N260-F276 WeakPolarHBondContact O-CB 3.34Å; N260-F276 WeakPolarHBondContact O-CD1 3.45Å; W262-F276 HydrophobicContact CB-CD2 4.22Å; W262-F276 HydrophobicContact CB-CE2 4.48Å; W262-F276 HydrophobicContact CB-CG 4.39Å; Q265-F276 HydrophobicContact CG-CE1 4Å; Y268-F276 HydrophobicContact CE2-CZ 4.46Å; Y268-F276 AromaticContact CZ-CZ 3.98Å; Y268-F276 WeakPolarHBondContact OH-CZ 3.33Å; L270-F276 HydrophobicContact CD1-CD2 4.44Å; L270-F276 HydrophobicContact CD1-CE2 3.76Å; L270-F276 HydrophobicContact CD2-CE2 3.48Å; L270-F276 VanDerWaalsContact CD2-CE2 3.48Å; L270-F276 HydrophobicContact CD2-CZ 3.79Å; L270-F276 HydrophobicContact CG-CE2 4.26Å
277V93.9Very high91.5Very high34 Ų3482.3 Ų82.321%0.20648%0.482CS..  trans-112.941.4178.3-62.80000110.8L257 I258 R259 L280L257-V277 HydrophobicContact CB-CG1 4.27Å; L257-V277 HydrophobicContact CB-CG2 3.8Å; L257-V277 HydrophobicContact CD2-CG1 3.99Å; I258-V277 PolarHBondContact O-N 3.27Å; R259-V277 HydrophobicContact CG-CG2 4.39Å; V277-L280 HydrophobicContact CB-CD1 4.28Å; V277-L280 HydrophobicContact CB-CD2 4.15Å; V277-L280 HydrophobicContact CB-CG 4.24Å; V277-L280 HydrophobicContact CG2-CD1 3.92Å; V277-L280 HydrophobicContact CG2-CG 4.42Å; V277-L280 VanDerWaalsContact O-CG 3.23Å; V277-L280 WeakPolarHBondContact O-CG 3.42Å
278G90.3Very high91.7Very high32 Ų3281.8 Ų81.833%0.3347%0.474SS..THydrogen-bonded Turntrans-61.1144.7172.200000111.7N260N260-G278 VanDerWaalsContact C-CA 3.44Å; N260-G278 VanDerWaalsContact O-CA 3.27Å; N260-G278 WeakPolarHBondContact O-CA 3.41Å; N260-G278 PolarHBondContact O-N 3.09Å
279G87.9Confident91.9Very high37 Ų3784.8 Ų84.838%0.38150%0.497SS..THydrogen-bonded Turntrans79.120.7176.100000115.3H281 C282G279-H281 PolarHBondContact O-N 3.19Å; G279-C282 VanDerWaalsContact O-CB 3.24Å; G279-C282 WeakPolarHBondContact O-CB 3.41Å; G279-C282 PolarHBondContact O-N 3Å; G279-C282 PolarHBondContact O-SG 2.69Å
280L88.6Confident92.1Very high47 Ų4788.6 Ų88.625%0.24651%0.507CS..THydrogen-bonded Turntrans-49.4-36.1175.7-73.6162.6000113.4T41 I42 R259 V277T41-L280 HydrophobicContact CG2-CB 4.19Å; T41-L280 WeakPolarHBondContact CG2-O 3.31Å; I42-L280 HydrophobicContact CD1-CD1 3.76Å; I42-L280 HydrophobicContact CD1-CD2 4.18Å; I42-L280 HydrophobicContact CG1-CD1 4.05Å; I42-L280 HydrophobicContact CG1-CD2 3.77Å; R259-L280 HydrophobicContact CG-CD1 4.48Å; V277-L280 HydrophobicContact CB-CD1 4.28Å; V277-L280 HydrophobicContact CB-CD2 4.15Å; V277-L280 HydrophobicContact CB-CG 4.24Å; V277-L280 HydrophobicContact CG2-CD1 3.92Å; V277-L280 HydrophobicContact CG2-CG 4.42Å; V277-L280 VanDerWaalsContact O-CG 3.23Å; V277-L280 WeakPolarHBondContact O-CG 3.42Å
281H84Confident92.4Very high129 Ų12991.1 Ų91.160%0.59752%0.516SS*.THydrogen-bonded Turntrans-85.1-6.3-178.459.8-89.2000113.8G279 K283G279-H281 PolarHBondContact O-N 3.19Å; H281-K283 PolarHBondContact O-N 3.39Å
282C87.4Confident92.5Very high93 Ų9393.2 Ų93.263%0.62853%0.525SS*.  trans-70.2119.4179.4-62.60000109.8G279G279-C282 VanDerWaalsContact O-CB 3.24Å; G279-C282 WeakPolarHBondContact O-CB 3.41Å; G279-C282 PolarHBondContact O-N 3Å; G279-C282 PolarHBondContact O-SG 2.69Å
283K86.9Confident92.5Very high151 Ų15189.6 Ų89.666%0.65750%0.497SS*.  trans-124.8154.2177.7-66.1179.7-178.1-179.10109.2H281 A285H281-K283 PolarHBondContact O-N 3.39Å; K283-A285 PolarHBondContact O-N 2.83Å
284P91.9Very high92.5Very high119 Ų11990.7 Ų90.777%0.77350%0.502SS*.PPolyproline II helixtrans-50.6134.2170-26.134.8000110.5K286P284-K286 PolarHBondContact O-N 3.4Å
285A91.2Very high92.4Very high103 Ų10393.8 Ų93.885%0.85152%0.515SS*.PPolyproline II helixtrans-59129.9179.200000109.6K283K283-A285 PolarHBondContact O-N 2.83Å
286K92.8Very high92.4Very high181 Ų18191.5 Ų91.579%0.78751%0.505SS*.PPolyproline II helixtrans-93.9151.5170.6-65.8-177.8-179.3-179.30108.7P284 L288P284-K286 PolarHBondContact O-N 3.4Å; K286-L288 PolarHBondContact O-N 2.84Å
287P94.1Very high92.4Very high123 Ų12395.5 Ų95.580%0.79952%0.524SS*.PPolyproline II helixtrans-53.8140.9171-23.333.4000110.7
288L94.1Very high92.4Very high81 Ų8196.9 Ų96.942%0.42454%0.535SS..PPolyproline II helixtrans-68.1148.5174.6-65.2173.5000109.7K286 M292 E293 V296K286-L288 PolarHBondContact O-N 2.84Å; L288-M292 HydrophobicContact CB-CB 4.18Å; L288-E293 HydrophobicContact CB-CB 4.09Å; L288-E293 WeakPolarHBondContact CB-OE2 3.28Å; L288-V296 HydrophobicContact CD1-CB 4.38Å; L288-V296 HydrophobicContact CD1-CG2 3.91Å
289P96.7Very high92.6Very high89 Ų8996.3 Ų96.358%0.57853%0.526SS*.PPolyproline II helixtrans-51.3144.1164-24.534.2000110.2E291 M292 E293P289-E291 PolarHBondContact O-N 3.03Å; P289-E291 VanDerWaalsContact O-N 3.09Å; P289-M292 WeakPolarHBondContact O-CA 3.44Å; P289-M292 PolarHBondContact O-N 3.33Å; P289-E293 PolarHBondContact O-N 3.34Å
290K96.4Very high92.8Very high144 Ų14497.2 Ų97.263%0.62654%0.536SS*.Hα-helixtrans-51.2-42-171.3-177.153.7175.5158.10113.6E293 D294K290-E293 PolarHBondContact O-N 3.48Å; K290-D294 WeakPolarHBondContact CE-OD1 3.5Å; K290-D294 VanDerWaalsContact CE-OD2 3.26Å; K290-D294 WeakPolarHBondContact CE-OD2 3.41Å; K290-D294 IonicContact NZ-OD1 2.59Å; K290-D294 PolarHBondContact NZ-OD1 3.13Å; K290-D294 IonicContact NZ-OD2 2.83Å; K290-D294 WeakPolarHBondContact O-CB 3.44Å; K290-D294 PolarHBondContact O-N 2.99Å
291E96Very high93.1Very high154 Ų154104.6 Ų104.672%0.7257%0.569SS**Hα-helixtrans-61.5-43.2176.7-176.5180-17600113P289 D294 F295P289-E291 PolarHBondContact O-N 3.03Å; P289-E291 VanDerWaalsContact O-N 3.09Å; E291-D294 PolarHBondContact O-N 2.69Å; E291-F295 WeakPolarHBondContact O-CB 3.29Å; E291-F295 PolarHBondContact O-N 3.14Å
292M94.6Very high93.5Very high96 Ų96102.8 Ų102.847%0.47356%0.564SS.*Hα-helixtrans-72.5-37.4178-73.2-64.6151.100111.8L288 P289 F295 V296L288-M292 HydrophobicContact CB-CB 4.18Å; P289-M292 WeakPolarHBondContact O-CA 3.44Å; P289-M292 PolarHBondContact O-N 3.33Å; M292-F295 PolarHBondContact O-N 2.75Å; M292-V296 WeakPolarHBondContact O-CB 3.38Å; M292-V296 VanDerWaalsContact O-CG2 3.25Å; M292-V296 WeakPolarHBondContact O-CG2 3.28Å; M292-V296 PolarHBondContact O-N 3.33Å
293E94.7Very high93.9Very high61 Ų6199.4 Ų99.429%0.28555%0.545SS..Hα-helixtrans-59.8-49.7172.1-171.168.4-147.300110L288 P289 K290 F295 V296 Q297L288-E293 HydrophobicContact CB-CB 4.09Å; L288-E293 WeakPolarHBondContact CB-OE2 3.28Å; P289-E293 PolarHBondContact O-N 3.34Å; K290-E293 PolarHBondContact O-N 3.48Å; E293-F295 VanDerWaalsContact C-N 3.31Å; E293-F295 PolarHBondContact O-N 3.5Å; E293-V296 PolarHBondContact O-N 2.94Å; E293-Q297 HydrophobicContact CG-CG 4.22Å; E293-Q297 WeakPolarHBondContact O-CB 3.43Å; E293-Q297 WeakPolarHBondContact O-CG 3.36Å; E293-Q297 PolarHBondContact O-N 3.4Å; E293-Q297 PolarHBondContact OE1-NE2 3.33Å
294D95.4Very high94.3Very high75 Ų7594.4 Ų94.440%0.40153%0.527SS..Hα-helixtrans-62.9-38.3179.1-67.8-21.4000111.5K290 E291 S298K290-D294 WeakPolarHBondContact CE-OD1 3.5Å; K290-D294 VanDerWaalsContact CE-OD2 3.26Å; K290-D294 WeakPolarHBondContact CE-OD2 3.41Å; K290-D294 IonicContact NZ-OD1 2.59Å; K290-D294 PolarHBondContact NZ-OD1 3.13Å; K290-D294 IonicContact NZ-OD2 2.83Å; K290-D294 WeakPolarHBondContact O-CB 3.44Å; K290-D294 PolarHBondContact O-N 2.99Å; E291-D294 PolarHBondContact O-N 2.69Å; D294-S298 WeakPolarHBondContact O-CB 3.32Å; D294-S298 PolarHBondContact O-N 2.91Å; D294-S298 PolarHBondContact O-OG 3.34Å
295F94.8Very high94.4Very high74 Ų7491 Ų9133%0.32550%0.504SS..Hα-helixtrans-59.9-50.7172.8179.4-95.8000111.9E291 M292 E293 S298 V304 K334 I335E291-F295 WeakPolarHBondContact O-CB 3.29Å; E291-F295 PolarHBondContact O-N 3.14Å; M292-F295 PolarHBondContact O-N 2.75Å; E293-F295 VanDerWaalsContact C-N 3.31Å; E293-F295 PolarHBondContact O-N 3.5Å; F295-S298 PolarHBondContact O-N 3.45Å; F295-S298 PolarHBondContact O-OG 3.32Å; F295-V304 HydrophobicContact CE1-CG1 4.3Å; F295-K334 HydrophobicContact CE1-CB 4.04Å; F295-K334 HydrophobicContact CE2-CD 4.25Å; F295-K334 HydrophobicContact CZ-CB 3.79Å; F295-K334 HydrophobicContact CZ-CD 4.31Å; F295-I335 WeakPolarHBondContact CZ-O 3.34Å
296V94.7Very high94.6Very high50 Ų5092.5 Ų92.530%0.30350%0.502SS..Hα-helixtrans-64.8-47.3179.7172.40000111.1L288 M292 E293 S298 S299 V304L288-V296 HydrophobicContact CD1-CB 4.38Å; L288-V296 HydrophobicContact CD1-CG2 3.91Å; M292-V296 WeakPolarHBondContact O-CB 3.38Å; M292-V296 VanDerWaalsContact O-CG2 3.25Å; M292-V296 WeakPolarHBondContact O-CG2 3.28Å; M292-V296 PolarHBondContact O-N 3.33Å; E293-V296 PolarHBondContact O-N 2.94Å; V296-S298 PolarHBondContact O-N 3.03Å; V296-S299 VanDerWaalsContact O-CB 3.27Å; V296-S299 WeakPolarHBondContact O-CB 3.24Å; V296-S299 PolarHBondContact O-N 3.49Å; V296-S299 PolarHBondContact O-OG 3.25Å; V296-V304 HydrophobicContact CB-CG2 4.31Å; V296-V304 HydrophobicContact CG1-CG2 4.16Å; V296-V304 HydrophobicContact CG2-CG2 4.17Å
297Q93.9Very high94.6Very high132 Ų13288.4 Ų88.462%0.61749%0.485SS*.Hα-helixtrans-63-28.9179.3-66.3-62.8-20.400112.2E293 S299E293-Q297 HydrophobicContact CG-CG 4.22Å; E293-Q297 WeakPolarHBondContact O-CB 3.43Å; E293-Q297 WeakPolarHBondContact O-CG 3.36Å; E293-Q297 PolarHBondContact O-N 3.4Å; E293-Q297 PolarHBondContact OE1-NE2 3.33Å; Q297-S299 PolarHBondContact O-N 2.84Å
298S94.7Very high94.5Very high63 Ų6387.2 Ų87.244%0.44148%0.479SS..THydrogen-bonded Turntrans-76.60175.7770000114.5D294 F295 V296 G300 K334D294-S298 WeakPolarHBondContact O-CB 3.32Å; D294-S298 PolarHBondContact O-N 2.91Å; D294-S298 PolarHBondContact O-OG 3.34Å; F295-S298 PolarHBondContact O-N 3.45Å; F295-S298 PolarHBondContact O-OG 3.32Å; V296-S298 PolarHBondContact O-N 3.03Å; S298-G300 VanDerWaalsContact C-N 3.28Å; S298-G300 PolarHBondContact O-N 3.18Å; S298-K334 PolarHBondContact O-NZ 3.02Å; S298-K334 PolarHBondContact OG-NZ 3.22Å
299S93.9Very high94.3Very high20 Ų2087 Ų8714%0.1448%0.478CS..THydrogen-bonded Turntrans-77.1-12.1-179.574.10000114.3V296 Q297 G303V296-S299 VanDerWaalsContact O-CB 3.27Å; V296-S299 WeakPolarHBondContact O-CB 3.24Å; V296-S299 PolarHBondContact O-N 3.49Å; V296-S299 PolarHBondContact O-OG 3.25Å; Q297-S299 PolarHBondContact O-N 2.84Å; S299-G303 WeakPolarHBondContact CB-O 3.41Å; S299-G303 WeakPolarHBondContact OG-CA 3.32Å
300G92Very high93.9Very high57 Ų5785.3 Ų85.359%0.58848%0.477SS*.G310 helixtrans57.3-147.8-176.800000112.3S298 N302S298-G300 VanDerWaalsContact C-N 3.28Å; S298-G300 PolarHBondContact O-N 3.18Å; G300-N302 VanDerWaalsContact C-N 3.3Å; G300-N302 PolarHBondContact O-N 2.75Å
301E94.3Very high93.2Very high202 Ų20281.1 Ų81.194%0.94447%0.465SS*.G310 helixtrans-70.4-22.2-175.1-61-175.7168.700114G303E301-G303 VanDerWaalsContact C-N 3.34Å
302N93.4Very high92.6Very high90 Ų9076.5 Ų76.548%0.48144%0.444SS..G310 helixtrans-73-29.9-176.8-65-32.7000112.2G300 P332 Q333G300-N302 VanDerWaalsContact C-N 3.3Å; G300-N302 PolarHBondContact O-N 2.75Å; N302-P332 HydrophobicContact CB-CB 4.32Å; N302-P332 WeakPolarHBondContact CB-O 3.5Å; N302-P332 PolarHBondContact ND2-O 2.95Å; N302-Q333 VanDerWaalsContact O-CG 3.25Å; N302-Q333 WeakPolarHBondContact O-CG 3.31Å; N302-Q333 PolarHBondContact O-NE2 2.73Å
303G95.1Very high92Very high23 Ų2375.2 Ų75.224%0.23744%0.442CS..  trans81-164.5-17900000114.3S299 E301 Q333 K334S299-G303 WeakPolarHBondContact CB-O 3.41Å; S299-G303 WeakPolarHBondContact OG-CA 3.32Å; E301-G303 VanDerWaalsContact C-N 3.34Å; G303-Q333 WeakPolarHBondContact O-CA 3.24Å; G303-K334 PolarHBondContact O-N 3.29Å; G303-K334 VanDerWaalsContact O-N 3.12Å
304V95.6Very high91.2Very high46 Ų4677.1 Ų77.128%0.27946%0.462SS..BIsolated β-bridgetrans-125.4146.3-173.2-178.60000111.4F295 V296 K334F295-V304 HydrophobicContact CE1-CG1 4.3Å; V296-V304 HydrophobicContact CB-CG2 4.31Å; V296-V304 HydrophobicContact CG1-CG2 4.16Å; V296-V304 HydrophobicContact CG2-CG2 4.17Å; V304-K334 CarbonylContact C-O 3.38Å; V304-K334 WeakPolarHBondContact CA-O 3.41Å; V304-K334 HydrophobicContact CG2-CB 4.4Å
305V95Very high90.5Very high46 Ų4680.2 Ų80.228%0.27948%0.479SS..  trans-113.3117.5170.2169.80000109.7I331 Q333 K334 I335V305-I331 HydrophobicContact CB-CD1 4.3Å; V305-I331 HydrophobicContact CG2-CD1 3.65Å; V305-Q333 HydrophobicContact CB-CB 4.49Å; V305-Q333 HydrophobicContact CG2-CB 3.77Å; V305-Q333 HydrophobicContact CG2-CG 3.89Å; V305-K334 PolarHBondContact N-O 3.31Å; V305-I335 HydrophobicContact CB-CG1 4.04Å; V305-I335 HydrophobicContact CG1-CG1 4.46Å; V305-I335 WeakPolarHBondContact O-CA 3.37Å
306V93.8Very high90Very high135 Ų13579.7 Ų79.782%0.81848%0.478SS*.  trans-86.4117.1172-179.70000109.3
307F93.4Very high89.7Confident96 Ų9681.5 Ų81.542%0.42149%0.489SS..  trans-103.8129.6175.5177.8-102.7000111.5L309 I324 L328 I335F307-L309 HydrophobicContact CE1-CD1 4.19Å; F307-L309 HydrophobicContact CE1-CD2 4.18Å; F307-L309 HydrophobicContact CE1-CG 3.87Å; F307-L309 HydrophobicContact CE2-CD2 4.19Å; F307-L309 HydrophobicContact CZ-CD1 4.23Å; F307-L309 HydrophobicContact CZ-CD2 3.51Å; F307-L309 HydrophobicContact CZ-CG 3.73Å; F307-I324 HydrophobicContact CE1-CG2 4.15Å; F307-I324 HydrophobicContact CE2-CG2 4.1Å; F307-I324 HydrophobicContact CZ-CD1 4.3Å; F307-I324 HydrophobicContact CZ-CG2 3.74Å; F307-L328 HydrophobicContact CB-CD1 4.44Å; F307-L328 HydrophobicContact CD2-CD1 4.28Å; F307-L328 HydrophobicContact CG-CD1 4.17Å; F307-I335 HydrophobicContact CB-CG2 4.36Å
308S92.1Very high89.6Confident97 Ų9782.3 Ų82.368%0.67849%0.493SS*.  trans-147.2140.1175.8-175.90000110.9G310S308-G310 PolarHBondContact OG-N 3.2Å
309L89.4Confident89.6Confident77 Ų7785.8 Ų85.840%0.40350%0.502SS..  trans-97.98.4176.9-65.3172.5000112.9F307 V313 M316F307-L309 HydrophobicContact CE1-CD1 4.19Å; F307-L309 HydrophobicContact CE1-CD2 4.18Å; F307-L309 HydrophobicContact CE1-CG 3.87Å; F307-L309 HydrophobicContact CE2-CD2 4.19Å; F307-L309 HydrophobicContact CZ-CD1 4.23Å; F307-L309 HydrophobicContact CZ-CD2 3.51Å; F307-L309 HydrophobicContact CZ-CG 3.73Å; L309-V313 HydrophobicContact CB-CB 3.81Å; L309-V313 HydrophobicContact CB-CG1 4.23Å; L309-V313 HydrophobicContact CB-CG2 4.09Å; L309-V313 HydrophobicContact CD1-CB 4.4Å; L309-V313 HydrophobicContact CD1-CG1 3.87Å; L309-M316 HydrophobicContact CD1-CE 4.18Å; L309-M316 HydrophobicContact CD1-SD 4.49Å
310G88.3Confident89.4Confident54 Ų5491.5 Ų91.556%0.55752%0.521SS*.THydrogen-bonded Turntrans74.4-160.7179.100000114S308S308-G310 PolarHBondContact OG-N 3.2Å
311S82.9Confident89.4Confident55 Ų5590.5 Ų90.539%0.38551%0.507SS..THydrogen-bonded Turntrans-85.2-12-167.255.50000115.8Y33Y33-S311 WeakPolarHBondContact CD1-O 3.44Å
312M83Confident89.5Confident57 Ų5784.8 Ų84.828%0.28148%0.483SS..THydrogen-bonded Turntrans-111-20.8-167-79.7-178.817900113.7Y33 I94 S314Y33-M312 HydrophobicContact CD1-CG 3.65Å; Y33-M312 HydrophobicContact CD2-CE 3.84Å; Y33-M312 HydrophobicContact CD2-CG 4.4Å; Y33-M312 HydrophobicContact CE1-CG 4.24Å; Y33-M312 HydrophobicContact CG-CE 3.69Å; Y33-M312 HydrophobicContact CG-CG 3.74Å; I94-M312 HydrophobicContact CD1-CB 3.94Å; I94-M312 HydrophobicContact CD1-CG 3.9Å; I94-M312 HydrophobicContact CD1-SD 3.61Å; I94-M312 HydrophobicContact CG1-SD 4Å; M312-S314 PolarHBondContact O-N 2.88Å
313V82.7Confident89.6Confident69 Ų6984 Ų8442%0.41848%0.481SS..  trans-88100179.2-175.30000108.8L309L309-V313 HydrophobicContact CB-CB 3.81Å; L309-V313 HydrophobicContact CB-CG1 4.23Å; L309-V313 HydrophobicContact CB-CG2 4.09Å; L309-V313 HydrophobicContact CD1-CB 4.4Å; L309-V313 HydrophobicContact CD1-CG1 3.87Å
314S77.7Confident89.6Confident102 Ų10285.1 Ų85.171%0.71348%0.481SS*.  trans-95.1-23.518058.20000113.6M312M312-S314 PolarHBondContact O-N 2.88Å
315N79.6Confident89.5Confident140 Ų14085.5 Ų85.575%0.74949%0.489SS*.  trans-145.8150-179.4-163.4-0.1000110.6
316M84.4Confident89.6Confident63 Ų6386.7 Ų86.731%0.3150%0.5SS..  trans-142.2143.5178.1178.1164.754.500109.1L309 R320 A321 I324L309-M316 HydrophobicContact CD1-CE 4.18Å; L309-M316 HydrophobicContact CD1-SD 4.49Å; M316-R320 HydrophobicContact CG-CB 3.67Å; M316-R320 HydrophobicContact SD-CB 3.78Å; M316-A321 HydrophobicContact CE-CB 3.81Å; M316-I324 HydrophobicContact CE-CD1 3.88Å; M316-I324 HydrophobicContact SD-CD1 3.49Å; M316-I324 WeakPolarHBondContact SD-CD1 3.34Å
317T88.3Confident89.8Confident87 Ų8782.8 Ų82.853%0.53448%0.482SS..  trans-63.5146.1175.960.90000110.4E319 R320 A321T317-E319 PolarHBondContact O-N 3.35Å; T317-R320 PolarHBondContact O-N 2.79Å; T317-R320 PolarHBondContact OG1-N 3.45Å; T317-A321 PolarHBondContact O-N 3.44Å
318E93.3Very high89.9Confident150 Ų15080 Ų8070%0.70147%0.471SS*.Hα-helixtrans-55.7-37.8177.3-170.4-178.4171.400111.4R320 A321 N322E318-R320 PolarHBondContact O-N 3.29Å; E318-A321 PolarHBondContact O-N 3.08Å; E318-N322 WeakPolarHBondContact O-CB 3.4Å; E318-N322 PolarHBondContact O-N 3.22Å; E318-N322 PolarHBondContact O-ND2 3.3Å
319E93Very high90Very high136 Ų13679.2 Ų79.264%0.63647%0.47SS*.Hα-helixtrans-56.5-49.2173.9-170.9-167.9154.600112.2T317 N322 V323T317-E319 PolarHBondContact O-N 3.35Å; E319-N322 PolarHBondContact O-N 3.02Å; E319-V323 WeakPolarHBondContact O-CG2 3.4Å; E319-V323 PolarHBondContact O-N 2.98Å
320R90.1Very high90.4Very high140 Ų14083.2 Ų83.253%0.52849%0.487SS..Hα-helixtrans-71.3-35.7178.6-80.4-44.3-166.2-142.59.9113.2M316 T317 E318 N322 V323 I324M316-R320 HydrophobicContact CG-CB 3.67Å; M316-R320 HydrophobicContact SD-CB 3.78Å; T317-R320 PolarHBondContact O-N 2.79Å; T317-R320 PolarHBondContact OG1-N 3.45Å; E318-R320 PolarHBondContact O-N 3.29Å; R320-N322 VanDerWaalsContact C-N 3.32Å; R320-N322 PolarHBondContact O-N 3.11Å; R320-V323 PolarHBondContact O-N 2.9Å; R320-I324 WeakPolarHBondContact O-CG1 3.45Å; R320-I324 PolarHBondContact O-N 3.42Å
321A92.4Very high90.7Very high35 Ų3583.7 Ų83.729%0.28948%0.476SS..Hα-helixtrans-58.5-46.2172.200000111.2M316 T317 E318 V323 I324 A325M316-A321 HydrophobicContact CE-CB 3.81Å; T317-A321 PolarHBondContact O-N 3.44Å; E318-A321 PolarHBondContact O-N 3.08Å; A321-V323 PolarHBondContact O-N 3.27Å; A321-I324 PolarHBondContact O-N 3.01Å; A321-A325 VanDerWaalsContact O-CB 3.28Å; A321-A325 WeakPolarHBondContact O-CB 2.85Å; A321-A325 PolarHBondContact O-N 3.29Å
322N95.6Very high91.3Very high83 Ų8385.2 Ų85.244%0.44448%0.484SS..Hα-helixtrans-65.9-38.4179-73-20.6000112.4E318 E319 R320 S326E318-N322 WeakPolarHBondContact O-CB 3.4Å; E318-N322 PolarHBondContact O-N 3.22Å; E318-N322 PolarHBondContact O-ND2 3.3Å; E319-N322 PolarHBondContact O-N 3.02Å; R320-N322 VanDerWaalsContact C-N 3.32Å; R320-N322 PolarHBondContact O-N 3.11Å; N322-S326 WeakPolarHBondContact O-CB 3.4Å; N322-S326 PolarHBondContact O-N 3.2Å; N322-S326 PolarHBondContact O-OG 3.41Å
323V96Very high91.9Very high74 Ų7485.4 Ų85.445%0.44848%0.484SS..Hα-helixtrans-61.7-47.9174.3169.70000111E319 R320 A321 S326 A327E319-V323 WeakPolarHBondContact O-CG2 3.4Å; E319-V323 PolarHBondContact O-N 2.98Å; R320-V323 PolarHBondContact O-N 2.9Å; A321-V323 PolarHBondContact O-N 3.27Å; V323-S326 PolarHBondContact O-N 3.3Å; V323-A327 WeakPolarHBondContact O-CB 3.19Å; V323-A327 PolarHBondContact O-N 3.04Å
324I94.8Very high92.4Very high46 Ų4685.8 Ų85.824%0.23648%0.481CS..Hα-helixtrans-63.9-48.1178.7-69.9164.5000110.5F307 M316 R320 A321 S326 A327 L328F307-I324 HydrophobicContact CE1-CG2 4.15Å; F307-I324 HydrophobicContact CE2-CG2 4.1Å; F307-I324 HydrophobicContact CZ-CD1 4.3Å; F307-I324 HydrophobicContact CZ-CG2 3.74Å; M316-I324 HydrophobicContact CE-CD1 3.88Å; M316-I324 HydrophobicContact SD-CD1 3.49Å; M316-I324 WeakPolarHBondContact SD-CD1 3.34Å; R320-I324 WeakPolarHBondContact O-CG1 3.45Å; R320-I324 PolarHBondContact O-N 3.42Å; A321-I324 PolarHBondContact O-N 3.01Å; I324-S326 VanDerWaalsContact C-N 3.31Å; I324-S326 PolarHBondContact O-N 2.95Å; I324-A327 PolarHBondContact O-N 3.38Å; I324-L328 HydrophobicContact CG2-CD1 3.6Å; I324-L328 HydrophobicContact CG2-CG 4.28Å; I324-L328 WeakPolarHBondContact O-CB 3.44Å; I324-L328 WeakPolarHBondContact O-CG 3.36Å; I324-L328 PolarHBondContact O-N 2.95Å
325A94.9Very high93Very high54 Ų5485.2 Ų85.245%0.44647%0.468SS..Hα-helixtrans-60.1-40.717800000111.8A321 L328 A329A321-A325 VanDerWaalsContact O-CB 3.28Å; A321-A325 WeakPolarHBondContact O-CB 2.85Å; A321-A325 PolarHBondContact O-N 3.29Å; A325-L328 PolarHBondContact O-N 3.25Å; A325-A329 VanDerWaalsContact O-CB 3.24Å; A325-A329 WeakPolarHBondContact O-CB 3.19Å; A325-A329 PolarHBondContact O-N 3.5Å
326S96.8Very high93.7Very high71 Ų7182.5 Ų82.550%0.49745%0.454SS..Hα-helixtrans-68.1-34177.6-59.80000112.7N322 V323 I324 Q330N322-S326 WeakPolarHBondContact O-CB 3.4Å; N322-S326 PolarHBondContact O-N 3.2Å; N322-S326 PolarHBondContact O-OG 3.41Å; V323-S326 PolarHBondContact O-N 3.3Å; I324-S326 VanDerWaalsContact C-N 3.31Å; I324-S326 PolarHBondContact O-N 2.95Å; S326-Q330 WeakPolarHBondContact O-CG 3.37Å; S326-Q330 PolarHBondContact O-NE2 3.04Å
327A96.5Very high94.2Very high53 Ų5383.5 Ų83.544%0.43846%0.462SS..Hα-helixtrans-71.1-44.9174.500000111.2V323 I324 A329 Q330V323-A327 WeakPolarHBondContact O-CB 3.19Å; V323-A327 PolarHBondContact O-N 3.04Å; I324-A327 PolarHBondContact O-N 3.38Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.22Å; A327-Q330 WeakPolarHBondContact O-CB 3.34Å; A327-Q330 PolarHBondContact O-N 3.27Å
328L96.2Very high94.5Very high37 Ų3783.3 Ų83.319%0.19446%0.458CS..Hα-helixtrans-65.4-33.1176.3-70.8173.4000111.5F307 I324 A325 Q330 I331 I335F307-L328 HydrophobicContact CB-CD1 4.44Å; F307-L328 HydrophobicContact CD2-CD1 4.28Å; F307-L328 HydrophobicContact CG-CD1 4.17Å; I324-L328 HydrophobicContact CG2-CD1 3.6Å; I324-L328 HydrophobicContact CG2-CG 4.28Å; I324-L328 WeakPolarHBondContact O-CB 3.44Å; I324-L328 WeakPolarHBondContact O-CG 3.36Å; I324-L328 PolarHBondContact O-N 2.95Å; A325-L328 PolarHBondContact O-N 3.25Å; L328-Q330 PolarHBondContact O-N 3.3Å; L328-Q330 VanDerWaalsContact O-N 3.16Å; L328-I331 WeakPolarHBondContact O-CG1 3.41Å; L328-I331 PolarHBondContact O-N 3.28Å; L328-I335 HydrophobicContact CB-CD1 3.6Å; L328-I335 HydrophobicContact CB-CG1 4.34Å; L328-I335 HydrophobicContact CD1-CG2 4.18Å; L328-I335 HydrophobicContact CD2-CD1 4.42Å; L328-I335 HydrophobicContact CD2-CG1 4.4Å; L328-I335 WeakPolarHBondContact O-CD1 3.08Å
329A95.1Very high94.6Very high80 Ų8079.4 Ų79.466%0.66144%0.444SS*.THydrogen-bonded Turntrans-67.1-13.7175.300000114.4A325 A327A325-A329 VanDerWaalsContact O-CB 3.24Å; A325-A329 WeakPolarHBondContact O-CB 3.19Å; A325-A329 PolarHBondContact O-N 3.5Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.22Å
330Q96.4Very high94.7Very high161 Ų16175.8 Ų75.875%0.75243%0.432SS*.THydrogen-bonded Turntrans-82.6-14.6178.7-70171.744.900113.4S326 A327 L328S326-Q330 WeakPolarHBondContact O-CG 3.37Å; S326-Q330 PolarHBondContact O-NE2 3.04Å; A327-Q330 WeakPolarHBondContact O-CB 3.34Å; A327-Q330 PolarHBondContact O-N 3.27Å; L328-Q330 PolarHBondContact O-N 3.3Å; L328-Q330 VanDerWaalsContact O-N 3.16Å
331I95.8Very high95Very high65 Ų6571.5 Ų71.533%0.33343%0.425SS..SBendtrans-94.7146.8-179.762163000110.7V305 L328 Q333 I335V305-I331 HydrophobicContact CB-CD1 4.3Å; V305-I331 HydrophobicContact CG2-CD1 3.65Å; L328-I331 WeakPolarHBondContact O-CG1 3.41Å; L328-I331 PolarHBondContact O-N 3.28Å; I331-Q333 HydrophobicContact CD1-CB 4.11Å; I331-Q333 PolarHBondContact O-N 2.92Å; I331-I335 HydrophobicContact CD1-CD1 4.29Å; I331-I335 HydrophobicContact CD1-CG1 4.39Å; I331-I335 HydrophobicContact CG1-CD1 4.16Å
332P94.4Very high95.2Very high86 Ų8674.1 Ų74.156%0.55844%0.435SS*.SBendtrans-76.8-6.4-175.232.2-38.4000114.2N302N302-P332 HydrophobicContact CB-CB 4.32Å; N302-P332 WeakPolarHBondContact CB-O 3.5Å; N302-P332 PolarHBondContact ND2-O 2.95Å
333Q95.6Very high95.1Very high61 Ų6173.5 Ų73.529%0.28543%0.434SS..SBendtrans-71.8150.6176.7-72.475.115.700112.1N302 G303 V305 I331N302-Q333 VanDerWaalsContact O-CG 3.25Å; N302-Q333 WeakPolarHBondContact O-CG 3.31Å; N302-Q333 PolarHBondContact O-NE2 2.73Å; G303-Q333 WeakPolarHBondContact O-CA 3.24Å; V305-Q333 HydrophobicContact CB-CB 4.49Å; V305-Q333 HydrophobicContact CG2-CB 3.77Å; V305-Q333 HydrophobicContact CG2-CG 3.89Å; I331-Q333 HydrophobicContact CD1-CB 4.11Å; I331-Q333 PolarHBondContact O-N 2.92Å
334K93.6Very high95.1Very high78 Ų7873.4 Ų73.434%0.33943%0.433SS..BIsolated β-bridgetrans-73.5143.6160.9-73.2-171.5170.4167.90109.4F295 S298 G303 V304 V305F295-K334 HydrophobicContact CE1-CB 4.04Å; F295-K334 HydrophobicContact CE2-CD 4.25Å; F295-K334 HydrophobicContact CZ-CB 3.79Å; F295-K334 HydrophobicContact CZ-CD 4.31Å; S298-K334 PolarHBondContact O-NZ 3.02Å; S298-K334 PolarHBondContact OG-NZ 3.22Å; G303-K334 PolarHBondContact O-N 3.29Å; G303-K334 VanDerWaalsContact O-N 3.12Å; V304-K334 CarbonylContact C-O 3.38Å; V304-K334 WeakPolarHBondContact CA-O 3.41Å; V304-K334 HydrophobicContact CG2-CB 4.4Å; V305-K334 PolarHBondContact N-O 3.31Å
335I90.9Very high95.1Very high89 Ų8975.9 Ų75.946%0.45645%0.451SS..  trans-1150-178.5-67131.1000109.8F295 V305 F307 L328 I331F295-I335 WeakPolarHBondContact CZ-O 3.34Å; V305-I335 HydrophobicContact CB-CG1 4.04Å; V305-I335 HydrophobicContact CG1-CG1 4.46Å; V305-I335 WeakPolarHBondContact O-CA 3.37Å; F307-I335 HydrophobicContact CB-CG2 4.36Å; L328-I335 HydrophobicContact CB-CD1 3.6Å; L328-I335 HydrophobicContact CB-CG1 4.34Å; L328-I335 HydrophobicContact CD1-CG2 4.18Å; L328-I335 HydrophobicContact CD2-CD1 4.42Å; L328-I335 HydrophobicContact CD2-CG1 4.4Å; L328-I335 WeakPolarHBondContact O-CD1 3.08Å; I331-I335 HydrophobicContact CD1-CD1 4.29Å; I331-I335 HydrophobicContact CD1-CG1 4.39Å; I331-I335 HydrophobicContact CG1-CD1 4.16Å

Retrieved 335 of 335 residues in 769.1 ms (Link to these results)

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