A0A024BTL2_PIG Loading...

phosphorylase kinase

AlphaFold DB , UniProt , Accession A0A024BTL2, Species PIG (Sus scrofa, Pig), Gene PHKG1, Length 388 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
1M33.6Very low35.1Very low249 Ų249147.4 Ų147.4100%1.22783%0.831SS**  084.60-84.917615500107.2
2T31.3Very low37Very low129 Ų129141.4 Ų141.479%0.79181%0.806SS**  trans-115.5116.7179.531.70000106.5
3K30.5Very low39Very low208 Ų208132.3 Ų132.390%0.90476%0.759SS**  trans-127.383.6164.8-95.8-170173-175.90106A5K3-A5 PolarHBondContact O-N 3.29Å
4D31.8Very low41.3Very low154 Ų154132.4 Ų132.482%0.82475%0.749SS**  trans-70.6113.8157.3-72.8-41.6000106.7A6D4-A6 PolarHBondContact O-N 3.4Å
5A34Very low44Very low98 Ų98123.7 Ų123.781%0.8170%0.701SS**  trans-69.7114.9171.600000107.8K3 L7K3-A5 PolarHBondContact O-N 3.29Å; A5-L7 PolarHBondContact O-N 3.38Å
6A30.7Very low47Very low99 Ų99116 Ų11682%0.81866%0.657SS**PPolyproline II helixtrans-55.9126.7179.400000111.5D4D4-A6 PolarHBondContact O-N 3.4Å
7L32.4Very low49.7Very low159 Ų159115.8 Ų115.883%0.83264%0.644SS**PPolyproline II helixtrans-68.5138.6161.9-72.3156.6000108.3A5 E9A5-L7 PolarHBondContact O-N 3.38Å; L7-E9 PolarHBondContact O-N 3.38Å
8P37.3Very low52.1Low127 Ų127114.9 Ų114.983%0.82564%0.635SS**PPolyproline II helixtrans-66.3129179.8-15.228.6000111.3
9E38.8Very low54.3Low166 Ų166112.1 Ų112.178%0.77662%0.618SS**PPolyproline II helixtrans-61.6137.4178.3-67.2176.9152.800112.2L7 H11L7-E9 PolarHBondContact O-N 3.38Å; E9-H11 PolarHBondContact O-N 3.44Å; E9-H11 VanDerWaalsContact O-N 3.16Å
10S42Very low56.4Low110 Ų110107 Ų10777%0.76959%0.59SS**  trans-70.4101.2179.760.80000111.8S12S10-S12 PolarHBondContact O-N 3.21Å
11H43.8Very low58.3Low122 Ų122106 Ų10657%0.56558%0.581SS**  trans-82.8100.6170.9-73.7-74.6000111E9 A13E9-H11 PolarHBondContact O-N 3.44Å; E9-H11 VanDerWaalsContact O-N 3.16Å; H11-A13 PolarHBondContact O-N 2.78Å
12S58Low61.3Low76 Ų7695.5 Ų95.553%0.53153%0.531SS..  trans-75.496.8-171.7590000113.5S10 Q14S10-S12 PolarHBondContact O-N 3.21Å; S12-Q14 PolarHBondContact O-N 3.41Å
13A63.2Low64.4Low23 Ų2391.9 Ų91.919%0.1950%0.504CS..SBendtrans59.2-42.3176.600000116.8H11 G15 F16 Y17 T96 F101H11-A13 PolarHBondContact O-N 2.78Å; A13-G15 PolarHBondContact O-N 3.28Å; A13-F16 WeakPolarHBondContact O-CB 3.46Å; A13-F16 PolarHBondContact O-N 3.16Å; A13-Y17 VanDerWaalsContact O-CD2 3.27Å; A13-Y17 WeakPolarHBondContact O-CD2 3.49Å; A13-Y17 PolarHBondContact O-N 3.07Å; A13-Y17 VanDerWaalsContact O-N 3.13Å; A13-T96 HydrophobicContact CB-CG2 3.36Å; A13-F101 HydrophobicContact CB-CE2 4.12Å; A13-F101 HydrophobicContact CB-CZ 4.4Å
14Q70.4Confident67.6Low133 Ų13386.6 Ų86.662%0.62148%0.483SS*.Hα-helixtrans-55.9-40.7174.8-154.2177.4-31.400110.4S12 F16 Y17 E18S12-Q14 PolarHBondContact O-N 3.41Å; Q14-F16 VanDerWaalsContact C-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.06Å; Q14-Y17 CarbonylContact O-C 3.47Å; Q14-Y17 PolarHBondContact O-N 3.37Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.32Å; Q14-E18 PolarHBondContact NE2-OE1 3.26Å; Q14-E18 WeakPolarHBondContact O-CB 3.39Å; Q14-E18 WeakPolarHBondContact O-CG 3.17Å; Q14-E18 PolarHBondContact O-N 2.81Å
15G82.8Confident70.6Confident3 Ų382.6 Ų82.63%0.03146%0.461CS..Hα-helixtrans-59.5-38.6174.600000113.9A13 N19A13-G15 PolarHBondContact O-N 3.28Å; G15-N19 PolarHBondContact O-N 2.82Å; G15-N19 PolarHBondContact O-ND2 2.84Å
16F91.9Very high73.4Confident0 Ų082.1 Ų82.10%044%0.444CS..Hα-helixtrans-65.2-51.5174.6171.3-98.6000110.7A13 Q14 E18 N19 Y20 P22 V48 Y94 F101 V103A13-F16 WeakPolarHBondContact O-CB 3.46Å; A13-F16 PolarHBondContact O-N 3.16Å; Q14-F16 VanDerWaalsContact C-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.06Å; F16-E18 PolarHBondContact O-N 3.33Å; F16-N19 PolarHBondContact O-N 3.39Å; F16-Y20 AromaticContact CD2-CD2 3.95Å; F16-Y20 HydrophobicContact CD2-CD2 3.95Å; F16-Y20 HydrophobicContact CD2-CG 4.23Å; F16-Y20 HydrophobicContact CE2-CD2 4.03Å; F16-Y20 AromaticContact CE2-CG 3.85Å; F16-Y20 HydrophobicContact CE2-CG 3.85Å; F16-Y20 WeakPolarHBondContact O-CB 3.42Å; F16-Y20 PolarHBondContact O-N 2.94Å; F16-P22 HydrophobicContact CE1-CG 4.38Å; F16-V48 HydrophobicContact CD2-CG2 4.49Å; F16-V48 HydrophobicContact CE2-CB 4.12Å; F16-V48 HydrophobicContact CE2-CG1 4.36Å; F16-V48 HydrophobicContact CE2-CG2 3.7Å; F16-V48 HydrophobicContact CZ-CB 4.18Å; F16-V48 HydrophobicContact CZ-CG1 3.91Å; F16-V48 HydrophobicContact CZ-CG2 3.95Å; F16-Y94 HydrophobicContact CB-CD1 4.11Å; F16-Y94 HydrophobicContact CB-CD2 3.82Å; F16-Y94 HydrophobicContact CB-CE2 4.28Å; F16-Y94 HydrophobicContact CB-CG 3.74Å; F16-Y94 AromaticContact CD2-CD2 3.87Å; F16-Y94 HydrophobicContact CD2-CD2 3.87Å; F16-Y94 HydrophobicContact CD2-CE2 4.05Å; F16-Y94 HydrophobicContact CG-CD2 4.34Å; F16-F101 HydrophobicContact CB-CD1 4.39Å; F16-F101 HydrophobicContact CB-CG 4.27Å; F16-F101 AromaticContact CD1-CD1 3.69Å; F16-F101 HydrophobicContact CD1-CD1 3.69Å; F16-F101 AromaticContact CD1-CE1 3.85Å; F16-F101 HydrophobicContact CD1-CE1 3.85Å; F16-F101 HydrophobicContact CD1-CG 4.38Å; F16-F101 HydrophobicContact CD2-CB 4.09Å; F16-F101 HydrophobicContact CD2-CD1 4.16Å; F16-F101 HydrophobicContact CD2-CG 4.31Å; F16-F101 HydrophobicContact CE1-CD1 4.01Å; F16-F101 HydrophobicContact CE1-CE1 4.22Å; F16-F101 HydrophobicContact CE2-CD1 4.44Å; F16-F101 HydrophobicContact CG-CB 4.29Å; F16-F101 AromaticContact CG-CD1 3.79Å; F16-F101 HydrophobicContact CG-CD1 3.79Å; F16-F101 HydrophobicContact CG-CE1 4.31Å; F16-F101 HydrophobicContact CG-CG 4.04Å; F16-F101 HydrophobicContact CZ-CD1 4.38Å; F16-V103 HydrophobicContact CD2-CG2 4.37Å; F16-V103 HydrophobicContact CE2-CG2 4.1Å
17Y92.5Very high76.2Confident112 Ų11278.7 Ų78.744%0.43942%0.418SS..Hα-helixtrans-70.8-17.1-178.1-71.3-73.9000113.6A13 Q14 P22 K40 F101A13-Y17 VanDerWaalsContact O-CD2 3.27Å; A13-Y17 WeakPolarHBondContact O-CD2 3.49Å; A13-Y17 PolarHBondContact O-N 3.07Å; A13-Y17 VanDerWaalsContact O-N 3.13Å; Q14-Y17 CarbonylContact O-C 3.47Å; Q14-Y17 PolarHBondContact O-N 3.37Å; Y17-P22 HydrophobicContact CD1-CG 4.33Å; Y17-P22 HydrophobicContact CE1-CG 3.82Å; Y17-K40 WeakPolarHBondContact O-CE 3.27Å; Y17-K40 PolarHBondContact O-NZ 3.34Å; Y17-F101 HydrophobicContact CE2-CE1 4.44Å; Y17-F101 HydrophobicContact CE2-CZ 4.34Å
18E92.7Very high78.8Confident101 Ų10180.3 Ų80.347%0.47241%0.413SS..Hα-helixtrans-70.7-48.2170.6-80166.6-173.300110.4Q14 F16 K40Q14-E18 WeakPolarHBondContact CG-OE1 3.32Å; Q14-E18 PolarHBondContact NE2-OE1 3.26Å; Q14-E18 WeakPolarHBondContact O-CB 3.39Å; Q14-E18 WeakPolarHBondContact O-CG 3.17Å; Q14-E18 PolarHBondContact O-N 2.81Å; F16-E18 PolarHBondContact O-N 3.33Å; E18-K40 WeakPolarHBondContact O-CD 2.74Å; E18-K40 WeakPolarHBondContact O-CE 3.46Å; E18-K40 PolarHBondContact O-NZ 2.89Å
19N94.1Very high80.9Confident60 Ų6076.3 Ų76.332%0.32140%0.395SS..Hα-helixtrans-88.9-28.2-174.2-67.4-31.6000114.5G15 F16 H39 K40 Y94G15-N19 PolarHBondContact O-N 2.82Å; G15-N19 PolarHBondContact O-ND2 2.84Å; F16-N19 PolarHBondContact O-N 3.39Å; N19-H39 CarbonylContact O-C 3.58Å; N19-H39 PolarHBondContact O-CD2 2.75Å; N19-K40 PolarHBondContact O-N 2.9Å; N19-Y94 PolarHBondContact ND2-OH 2.8Å
20Y97Very high82.7Confident11 Ų1175.8 Ų75.84%0.04340%0.403CS..EExtended strand (participates in β ladder)trans-125.4146.1-173.5-64.6-92.7000112.3F16 I38 H39 Y46 D92 Y94 V103F16-Y20 AromaticContact CD2-CD2 3.95Å; F16-Y20 HydrophobicContact CD2-CD2 3.95Å; F16-Y20 HydrophobicContact CD2-CG 4.23Å; F16-Y20 HydrophobicContact CE2-CD2 4.03Å; F16-Y20 AromaticContact CE2-CG 3.85Å; F16-Y20 HydrophobicContact CE2-CG 3.85Å; F16-Y20 WeakPolarHBondContact O-CB 3.42Å; F16-Y20 PolarHBondContact O-N 2.94Å; Y20-I38 CarbonylContact C-O 3.59Å; Y20-I38 VanDerWaalsContact CA-O 3.32Å; Y20-I38 WeakPolarHBondContact CA-O 3.2Å; Y20-H39 HydrophobicContact CD1-CB 3.9Å; Y20-H39 HydrophobicContact CE1-CB 3.6Å; Y20-H39 AromaticContact CE1-CD2 3.69Å; Y20-H39 AromaticContact CE1-CG 3.94Å; Y20-H39 AromaticContact CE2-CD2 3.93Å; Y20-H39 AromaticContact CZ-CD2 3.55Å; Y20-Y46 HydrophobicContact CD1-CD2 4.48Å; Y20-Y46 AromaticContact CE1-CD2 3.81Å; Y20-Y46 HydrophobicContact CE1-CD2 3.81Å; Y20-Y46 HydrophobicContact CE1-CE2 4.28Å; Y20-Y46 HydrophobicContact CE1-CG 4.46Å; Y20-D92 HydrophobicContact CE2-CB 4.47Å; Y20-D92 WeakPolarHBondContact CE2-OD2 3.41Å; Y20-D92 PolarHBondContact OH-OD2 2.97Å; Y20-Y94 HydrophobicContact CD2-CE2 4.17Å; Y20-Y94 AromaticContact CE2-CE2 3.91Å; Y20-Y94 HydrophobicContact CE2-CE2 3.91Å; Y20-V103 HydrophobicContact CD1-CG1 4.46Å; Y20-V103 HydrophobicContact CE1-CG1 3.76Å; Y20-V103 HydrophobicContact CE1-CG2 4.44Å; Y20-V103 HydrophobicContact CE2-CG2 4.29Å
21E96.3Very high84.6Confident87 Ų8772.4 Ų72.441%0.40738%0.379SS..EExtended strand (participates in β ladder)trans-112.5109.4172.3-166.7-165.216800109.6K23 C37 I38 K40E21-K23 VanDerWaalsContact CD-CE 3.49Å; E21-K23 IonicContact OE1-NZ 3.1Å; E21-K23 PolarHBondContact OE1-NZ 2.92Å; E21-K23 WeakPolarHBondContact OE2-CE 3.35Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.13Å; E21-C37 CarbonylContact O-C 3.57Å; E21-C37 VanDerWaalsContact O-CA 3.24Å; E21-C37 WeakPolarHBondContact O-CA 3.44Å; E21-I38 PolarHBondContact N-O 3.47Å; E21-I38 PolarHBondContact O-N 2.88Å; E21-K40 HydrophobicContact CB-CG 4.4Å
22P95.6Very high86.9Confident27 Ų2768 Ų6818%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-73.1143.9178.128.8-32.4000111.8F16 Y17F16-P22 HydrophobicContact CE1-CG 4.38Å; Y17-P22 HydrophobicContact CD1-CG 4.33Å; Y17-P22 HydrophobicContact CE1-CG 3.82Å
23K96.9Very high88.6Confident54 Ų5465.8 Ų65.824%0.23535%0.345CS..EExtended strand (participates in β ladder)trans-121.4-142.6-176-57.6-65-174.2179.20110.2E21 R35 R36 I38E21-K23 VanDerWaalsContact CD-CE 3.49Å; E21-K23 IonicContact OE1-NZ 3.1Å; E21-K23 PolarHBondContact OE1-NZ 2.92Å; E21-K23 WeakPolarHBondContact OE2-CE 3.35Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.13Å; K23-R35 PolarHBondContact O-NE 2.63Å; K23-R35 PolarHBondContact O-NH2 3.31Å; K23-R36 WeakPolarHBondContact CA-O 3.4Å; K23-R36 HydrophobicContact CB-CB 4.31Å; K23-R36 WeakPolarHBondContact CB-O 3.33Å; K23-R36 PolarHBondContact N-O 3.22Å; K23-I38 HydrophobicContact CD-CD1 4.48Å; K23-I38 HydrophobicContact CG-CD1 4.38Å; K23-I38 HydrophobicContact CG-CG1 4.2Å
24E96.4Very high90.2Very high96 Ų9666.7 Ų66.745%0.44935%0.348SS..EExtended strand (participates in β ladder)trans-63.5159.4-179.570.5-79.5-175.700113.2L26 R35 R36E24-L26 HydrophobicContact CG-CD2 4.5Å; E24-R35 VanDerWaalsContact O-CA 3.3Å; E24-R35 WeakPolarHBondContact O-CA 3.48Å; E24-R35 WeakPolarHBondContact O-CB 3.32Å; E24-R36 VanDerWaalsContact CD-NE 3.31Å; E24-R36 PolarHBondContact O-N 2.8Å; E24-R36 IonicContact OE1-CZ 2.64Å; E24-R36 IonicContact OE1-NE 3.03Å; E24-R36 PolarHBondContact OE1-NE 3.13Å; E24-R36 IonicContact OE1-NH2 2.8Å; E24-R36 PolarHBondContact OE1-NH2 3.35Å; E24-R36 IonicContact OE2-CZ 2.79Å; E24-R36 IonicContact OE2-NE 2.69Å; E24-R36 PolarHBondContact OE2-NE 3.35Å; E24-R36 IonicContact OE2-NH2 3.75Å; E24-R36 PolarHBondContact OE2-NH2 3.32Å
25I96.1Very high91.4Very high71 Ų7164 Ų6436%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-81.2130.6175.3-64.6172.1000108.3G27 R28 V33 R35I25-G27 WeakPolarHBondContact CG2-O 3.38Å; I25-R28 HydrophobicContact CG2-CG 4.05Å; I25-V33 HydrophobicContact CB-CG2 4.48Å; I25-V33 HydrophobicContact CD1-CG2 4.08Å; I25-V33 HydrophobicContact CG1-CG2 3.98Å; I25-V33 HydrophobicContact CG2-CG2 3.77Å; I25-R35 HydrophobicContact CG1-CG 3.97Å
26L92.5Very high92.1Very high88 Ų8866 Ų6646%0.46134%0.339SS..EExtended strand (participates in β ladder)trans-95.6-34.4175.5-58.2177.6000111.3E24 V34 R36 A47 L106E24-L26 HydrophobicContact CG-CD2 4.5Å; L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.25Å; L26-R36 HydrophobicContact CD1-CB 4.09Å; L26-R36 HydrophobicContact CD2-CB 4.23Å; L26-R36 HydrophobicContact CG-CB 4.24Å; L26-A47 HydrophobicContact CD1-CB 4.22Å; L26-L106 HydrophobicContact CD1-CD1 3.59Å
27G88.8Confident92.4Very high26 Ų2666 Ų6627%0.26834%0.339SS..EExtended strand (participates in β ladder)trans-161.9162.6-178.700000112.9I25 V34I25-G27 WeakPolarHBondContact CG2-O 3.38Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 2.57Å
28R88.7Confident92.7Very high193 Ų19362.3 Ų62.373%0.72833%0.327SS*.EExtended strand (participates in β ladder)trans-133.7127.9177.7-67.1180179.1-93.17.9109.7I25 V33I25-R28 HydrophobicContact CG2-CG 4.05Å; R28-V33 HydrophobicContact CG-CG2 4.3Å
29G80.1Confident92.9Very high44 Ų4459.2 Ų59.245%0.45431%0.312SS..  trans-101.8-173.5165.900000111.4S32G29-S32 PolarHBondContact N-O 3.4Å
30V76.2Confident93Very high154 Ų15461.2 Ų61.293%0.93332%0.318SS*.SBendtrans-63.5-49.6179.6179.40000111.4
31S82.9Confident92.9Very high39 Ų3965.1 Ų65.127%0.27335%0.345SS..SBendtrans-119.416.2-178.5-45.40000112.5I51 D52S31-I51 WeakPolarHBondContact O-CA 3.35Å; S31-D52 PolarHBondContact O-N 2.62Å
32S91.1Very high92.9Very high29 Ų2965 Ų6520%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-143.4154.5-176.667.90000113.5G29 I50G29-S32 PolarHBondContact N-O 3.4Å; S32-I50 CarbonylContact C-O 3.49Å; S32-I50 WeakPolarHBondContact CA-O 3.24Å; S32-I50 WeakPolarHBondContact CB-O 3.33Å
33V94.4Very high92.9Very high30 Ų3068.4 Ų68.418%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-131.1132.6172.2610000109.3I25 R28 R35 I50I25-V33 HydrophobicContact CB-CG2 4.48Å; I25-V33 HydrophobicContact CD1-CG2 4.08Å; I25-V33 HydrophobicContact CG1-CG2 3.98Å; I25-V33 HydrophobicContact CG2-CG2 3.77Å; R28-V33 HydrophobicContact CG-CG2 4.3Å; V33-R35 HydrophobicContact CG2-CG 4.17Å; V33-I50 HydrophobicContact CG1-CB 3.86Å; V33-I50 HydrophobicContact CG1-CD1 4.27Å; V33-I50 HydrophobicContact CG1-CG1 4.41Å; V33-I50 PolarHBondContact N-O 3.5Å; V33-I50 PolarHBondContact O-N 2.95Å
34V95.9Very high92.9Very high42 Ų4270.9 Ų70.926%0.25539%0.386SS..EExtended strand (participates in β ladder)trans-100.9127.1174.7-174.60000108.5L26 G27 A47 V48 K49L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.25Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 2.57Å; V34-A47 HydrophobicContact CG1-CB 4.24Å; V34-V48 CarbonylContact C-O 3.56Å; V34-V48 VanDerWaalsContact CA-O 3.3Å; V34-V48 WeakPolarHBondContact CA-O 3.49Å; V34-K49 HydrophobicContact CG2-CB 4.26Å; V34-K49 HydrophobicContact CG2-CG 4.18Å
35R97.3Very high92.9Very high77 Ų7769 Ų6929%0.29138%0.377SS..EExtended strand (participates in β ladder)trans-124.4148.9178.4-62-177.872.6171.91110.4K23 E24 I25 V33 A47 V48K23-R35 PolarHBondContact O-NE 2.63Å; K23-R35 PolarHBondContact O-NH2 3.31Å; E24-R35 VanDerWaalsContact O-CA 3.3Å; E24-R35 WeakPolarHBondContact O-CA 3.48Å; E24-R35 WeakPolarHBondContact O-CB 3.32Å; I25-R35 HydrophobicContact CG1-CG 3.97Å; V33-R35 HydrophobicContact CG2-CG 4.17Å; R35-A47 CarbonylContact O-C 3.57Å; R35-A47 WeakPolarHBondContact O-CA 3.34Å; R35-V48 HydrophobicContact CB-CG1 4.03Å; R35-V48 PolarHBondContact N-O 3.07Å; R35-V48 PolarHBondContact O-N 3.29Å
36R97.6Very high93Very high44 Ų4467.5 Ų67.517%0.16637%0.367CS..EExtended strand (participates in β ladder)trans-67142.3161.6-172.7174.962.791.37108.1K23 E24 L26 E45 Y46 L106K23-R36 WeakPolarHBondContact CA-O 3.4Å; K23-R36 HydrophobicContact CB-CB 4.31Å; K23-R36 WeakPolarHBondContact CB-O 3.33Å; K23-R36 PolarHBondContact N-O 3.22Å; E24-R36 VanDerWaalsContact CD-NE 3.31Å; E24-R36 PolarHBondContact O-N 2.8Å; E24-R36 IonicContact OE1-CZ 2.64Å; E24-R36 IonicContact OE1-NE 3.03Å; E24-R36 PolarHBondContact OE1-NE 3.13Å; E24-R36 IonicContact OE1-NH2 2.8Å; E24-R36 PolarHBondContact OE1-NH2 3.35Å; E24-R36 IonicContact OE2-CZ 2.79Å; E24-R36 IonicContact OE2-NE 2.69Å; E24-R36 PolarHBondContact OE2-NE 3.35Å; E24-R36 IonicContact OE2-NH2 3.75Å; E24-R36 PolarHBondContact OE2-NH2 3.32Å; L26-R36 HydrophobicContact CD1-CB 4.09Å; L26-R36 HydrophobicContact CD2-CB 4.23Å; L26-R36 HydrophobicContact CG-CB 4.24Å; R36-E45 IonicContact CZ-OE1 2.86Å; R36-E45 IonicContact NE-OE1 3.62Å; R36-E45 IonicContact NH1-OE1 2.68Å; R36-E45 PolarHBondContact NH1-OE1 3.31Å; R36-Y46 CarbonylContact C-O 3.55Å; R36-Y46 WeakPolarHBondContact CA-O 3.47Å; R36-L106 HydrophobicContact CG-CD1 4.44Å; R36-L106 HydrophobicContact CG-CD2 4.05Å
37C97.8Very high93.3Very high0 Ų063.9 Ų63.90%035%0.35CS..EExtended strand (participates in β ladder)trans-138.3158171.563.60000111.2E21 E45 Y46 V48E21-C37 CarbonylContact O-C 3.57Å; E21-C37 VanDerWaalsContact O-CA 3.24Å; E21-C37 WeakPolarHBondContact O-CA 3.44Å; C37-E45 WeakPolarHBondContact O-CA 3.28Å; C37-Y46 PolarHBondContact N-O 3.27Å; C37-Y46 PolarHBondContact O-N 2.98Å; C37-V48 HydrophobicContact CB-CG1 4.04Å
38I97.8Very high93.7Very high36 Ų3662.6 Ų62.619%0.18534%0.337CS..EExtended strand (participates in β ladder)trans-114.7125.1177.4-56.8-176.3000108.2Y20 E21 K23 K40Y20-I38 CarbonylContact C-O 3.59Å; Y20-I38 VanDerWaalsContact CA-O 3.32Å; Y20-I38 WeakPolarHBondContact CA-O 3.2Å; E21-I38 PolarHBondContact N-O 3.47Å; E21-I38 PolarHBondContact O-N 2.88Å; K23-I38 HydrophobicContact CD-CD1 4.48Å; K23-I38 HydrophobicContact CG-CD1 4.38Å; K23-I38 HydrophobicContact CG-CG1 4.2Å; I38-K40 PolarHBondContact O-N 3.07Å
39H97.4Very high94Very high35 Ų3554.7 Ų54.716%0.16231%0.307CS..EExtended strand (participates in β ladder)trans-74108.7171.3-177.7-125000109.3N19 Y20 P41 T42 C43 Q44 Y46N19-H39 CarbonylContact O-C 3.58Å; N19-H39 PolarHBondContact O-CD2 2.75Å; Y20-H39 HydrophobicContact CD1-CB 3.9Å; Y20-H39 HydrophobicContact CE1-CB 3.6Å; Y20-H39 AromaticContact CE1-CD2 3.69Å; Y20-H39 AromaticContact CE1-CG 3.94Å; Y20-H39 AromaticContact CE2-CD2 3.93Å; Y20-H39 AromaticContact CZ-CD2 3.55Å; H39-P41 WeakPolarHBondContact NE2-CD 3.23Å; H39-T42 WeakPolarHBondContact ND1-CG2 3.49Å; H39-T42 PolarHBondContact ND1-OG1 3.41Å; H39-T42 PolarHBondContact O-N 2.65Å; H39-C43 WeakPolarHBondContact O-CA 3.36Å; H39-C43 PolarHBondContact O-N 3.35Å; H39-Q44 PolarHBondContact N-O 3.1Å; H39-Y46 HydrophobicContact CB-CD2 3.86Å; H39-Y46 HydrophobicContact CB-CE2 3.58Å
40K96.1Very high94.8Very high102 Ų10253.4 Ų53.444%0.44329%0.29SS..THydrogen-bonded Turntrans-57.1-41.8-169.3-56.9-177-164.5162.10114.1Y17 E18 N19 E21 I38 T42Y17-K40 WeakPolarHBondContact O-CE 3.27Å; Y17-K40 PolarHBondContact O-NZ 3.34Å; E18-K40 WeakPolarHBondContact O-CD 2.74Å; E18-K40 WeakPolarHBondContact O-CE 3.46Å; E18-K40 PolarHBondContact O-NZ 2.89Å; N19-K40 PolarHBondContact O-N 2.9Å; E21-K40 HydrophobicContact CB-CG 4.4Å; I38-K40 PolarHBondContact O-N 3.07Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 3.24Å
41P94.8Very high95.6Very high94 Ų9446.5 Ų46.561%0.6125%0.248SC*.THydrogen-bonded Turntrans-65.5-34.7-179.7-23.535000114H39H39-P41 WeakPolarHBondContact NE2-CD 3.23Å
42T96.1Very high96.1Very high84 Ų8446.3 Ų46.352%0.51524%0.244SC..THydrogen-bonded Turntrans-106.6-10.5-173.260.40000114H39 K40 Q44H39-T42 WeakPolarHBondContact ND1-CG2 3.49Å; H39-T42 PolarHBondContact ND1-OG1 3.41Å; H39-T42 PolarHBondContact O-N 2.65Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 3.24Å; T42-Q44 PolarHBondContact O-N 3.16Å; T42-Q44 VanDerWaalsContact O-N 3.07Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.47Å; T42-Q44 PolarHBondContact OG1-N 3.41Å
43C95.8Very high95.9Very high98 Ų9845 Ų4566%0.66223%0.234SC*.THydrogen-bonded Turntrans56.213.6-168.7-61.20000115.3H39H39-C43 WeakPolarHBondContact O-CA 3.36Å; H39-C43 PolarHBondContact O-N 3.35Å
44Q96.9Very high95.5Very high107 Ų10745.2 Ų45.250%0.524%0.236SC..EExtended strand (participates in β ladder)trans-75.5140.6178.2-173.564.629.900111H39 T42 Y46H39-Q44 PolarHBondContact N-O 3.1Å; T42-Q44 PolarHBondContact O-N 3.16Å; T42-Q44 VanDerWaalsContact O-N 3.07Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.47Å; T42-Q44 PolarHBondContact OG1-N 3.41Å; Q44-Y46 HydrophobicContact CB-CE2 3.75Å; Q44-Y46 HydrophobicContact CG-CD2 4.47Å; Q44-Y46 HydrophobicContact CG-CE1 4.3Å; Q44-Y46 HydrophobicContact CG-CE2 3.71Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.2Å
45E97.3Very high94.7Very high57 Ų5744.2 Ų44.227%0.26623%0.234SC..EExtended strand (participates in β ladder)trans-87.2141177.8-55.1-173.4107.600112.1R36 C37 L106 K108R36-E45 IonicContact CZ-OE1 2.86Å; R36-E45 IonicContact NE-OE1 3.62Å; R36-E45 IonicContact NH1-OE1 2.68Å; R36-E45 PolarHBondContact NH1-OE1 3.31Å; C37-E45 WeakPolarHBondContact O-CA 3.28Å; E45-L106 HydrophobicContact CB-CD2 3.83Å; E45-K108 WeakPolarHBondContact OE2-CE 3.3Å; E45-K108 IonicContact OE2-NZ 2.65Å; E45-K108 PolarHBondContact OE2-NZ 2.94Å
46Y97.8Very high93.8Very high39 Ų3943.7 Ų43.715%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-140.1172.7179-65.9-75000110.7Y20 R36 C37 H39 Q44 K91 V103 F104Y20-Y46 HydrophobicContact CD1-CD2 4.48Å; Y20-Y46 AromaticContact CE1-CD2 3.81Å; Y20-Y46 HydrophobicContact CE1-CD2 3.81Å; Y20-Y46 HydrophobicContact CE1-CE2 4.28Å; Y20-Y46 HydrophobicContact CE1-CG 4.46Å; R36-Y46 CarbonylContact C-O 3.55Å; R36-Y46 WeakPolarHBondContact CA-O 3.47Å; C37-Y46 PolarHBondContact N-O 3.27Å; C37-Y46 PolarHBondContact O-N 2.98Å; H39-Y46 HydrophobicContact CB-CD2 3.86Å; H39-Y46 HydrophobicContact CB-CE2 3.58Å; Q44-Y46 HydrophobicContact CB-CE2 3.75Å; Q44-Y46 HydrophobicContact CG-CD2 4.47Å; Q44-Y46 HydrophobicContact CG-CE1 4.3Å; Q44-Y46 HydrophobicContact CG-CE2 3.71Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.2Å; Y46-K91 HydrophobicContact CD1-CG 4.12Å; Y46-K91 HydrophobicContact CE1-CG 3.86Å; Y46-V103 HydrophobicContact CD1-CG1 4.37Å; Y46-V103 HydrophobicContact CG-CG1 3.99Å; Y46-F104 WeakPolarHBondContact CA-O 3.31Å; Y46-F104 WeakPolarHBondContact CB-O 3.42Å; Y46-F104 WeakPolarHBondContact CD1-O 3.25Å
47A97.8Very high92.9Very high11 Ų1144.6 Ų44.69%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-110.8136.8166.100000109.4L26 V34 R35 V103 F104 L106L26-A47 HydrophobicContact CD1-CB 4.22Å; V34-A47 HydrophobicContact CG1-CB 4.24Å; R35-A47 CarbonylContact O-C 3.57Å; R35-A47 WeakPolarHBondContact O-CA 3.34Å; A47-V103 CarbonylContact O-C 3.55Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; A47-F104 PolarHBondContact N-O 3.1Å; A47-F104 PolarHBondContact O-N 2.94Å; A47-L106 HydrophobicContact CB-CD1 4.16Å
48V97.6Very high92.2Very high0 Ų049 Ų490%031%0.307CS..EExtended strand (participates in β ladder)trans-115.5122.3173.560.90000109.8F16 V34 R35 C37 I50 F101 L102 V103F16-V48 HydrophobicContact CD2-CG2 4.49Å; F16-V48 HydrophobicContact CE2-CB 4.12Å; F16-V48 HydrophobicContact CE2-CG1 4.36Å; F16-V48 HydrophobicContact CE2-CG2 3.7Å; F16-V48 HydrophobicContact CZ-CB 4.18Å; F16-V48 HydrophobicContact CZ-CG1 3.91Å; F16-V48 HydrophobicContact CZ-CG2 3.95Å; V34-V48 CarbonylContact C-O 3.56Å; V34-V48 VanDerWaalsContact CA-O 3.3Å; V34-V48 WeakPolarHBondContact CA-O 3.49Å; R35-V48 HydrophobicContact CB-CG1 4.03Å; R35-V48 PolarHBondContact N-O 3.07Å; R35-V48 PolarHBondContact O-N 3.29Å; C37-V48 HydrophobicContact CB-CG1 4.04Å; V48-I50 HydrophobicContact CG1-CD1 4.36Å; V48-I50 HydrophobicContact CG1-CG1 4.23Å; V48-I50 HydrophobicContact CG2-CG1 4Å; V48-F101 HydrophobicContact CG2-CB 4.04Å; V48-F101 HydrophobicContact CG2-CD1 4.27Å; V48-L102 CarbonylContact C-O 3.59Å; V48-L102 WeakPolarHBondContact CA-O 3.35Å; V48-V103 HydrophobicContact CG2-CG2 4.26Å
49K96.2Very high91.6Very high26 Ų2650.6 Ų50.611%0.11331%0.313CS..EExtended strand (participates in β ladder)trans-87.8114.2167.9-172.8179.7179.2-178.10107.2V34 I51 E74 L102 F104 D168V34-K49 HydrophobicContact CG2-CB 4.26Å; V34-K49 HydrophobicContact CG2-CG 4.18Å; K49-I51 HydrophobicContact CD-CD1 4.37Å; K49-I51 HydrophobicContact CG-CD1 4.45Å; K49-I51 HydrophobicContact CG-CG1 4.13Å; K49-E74 IonicContact NZ-OE1 3.92Å; K49-E74 PolarHBondContact NZ-OE1 3.27Å; K49-E74 IonicContact NZ-OE2 3.79Å; K49-L102 HydrophobicContact CB-CB 4.35Å; K49-L102 PolarHBondContact N-O 3.41Å; K49-L102 PolarHBondContact O-N 3.37Å; K49-F104 HydrophobicContact CB-CD2 4.43Å; K49-F104 HydrophobicContact CB-CE2 3.9Å; K49-F104 HydrophobicContact CD-CE2 4.49Å; K49-D168 IonicContact NZ-OD1 3.59Å; K49-D168 PolarHBondContact NZ-OD1 3.04Å
50I95.4Very high91.2Very high17 Ų1751.5 Ų51.59%0.08732%0.322CS..EExtended strand (participates in β ladder)trans-103.2115.5178.5-50174.7000106.9S32 V33 V48 F99 F100 F101S32-I50 CarbonylContact C-O 3.49Å; S32-I50 WeakPolarHBondContact CA-O 3.24Å; S32-I50 WeakPolarHBondContact CB-O 3.33Å; V33-I50 HydrophobicContact CG1-CB 3.86Å; V33-I50 HydrophobicContact CG1-CD1 4.27Å; V33-I50 HydrophobicContact CG1-CG1 4.41Å; V33-I50 PolarHBondContact N-O 3.5Å; V33-I50 PolarHBondContact O-N 2.95Å; V48-I50 HydrophobicContact CG1-CD1 4.36Å; V48-I50 HydrophobicContact CG1-CG1 4.23Å; V48-I50 HydrophobicContact CG2-CG1 4Å; I50-F99 HydrophobicContact CG2-CB 4.5Å; I50-F99 HydrophobicContact CG2-CD1 4.11Å; I50-F100 CarbonylContact C-O 3.57Å; I50-F100 VanDerWaalsContact CA-O 3.3Å; I50-F100 WeakPolarHBondContact CA-O 3.48Å; I50-F101 HydrophobicContact CB-CD1 4.5Å; I50-F101 HydrophobicContact CD1-CD1 4.29Å; I50-F101 HydrophobicContact CD1-CE1 4.16Å; I50-F101 HydrophobicContact CG1-CD1 3.88Å; I50-F101 HydrophobicContact CG1-CE1 4.13Å; I50-F101 HydrophobicContact CG2-CD1 4.12Å; I50-F101 HydrophobicContact CG2-CE1 3.85Å; I50-F101 HydrophobicContact CG2-CZ 4.34Å
51I94Very high90.9Very high9 Ų951.4 Ų51.45%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-107.9124.3-177.5-57.6165.6000107.9S31 K49 I53 T71 F99 F100 L102S31-I51 WeakPolarHBondContact O-CA 3.35Å; K49-I51 HydrophobicContact CD-CD1 4.37Å; K49-I51 HydrophobicContact CG-CD1 4.45Å; K49-I51 HydrophobicContact CG-CG1 4.13Å; I51-I53 HydrophobicContact CG2-CG2 4.37Å; I51-T71 HydrophobicContact CD1-CG2 3.75Å; I51-F99 CarbonylContact O-C 3.56Å; I51-F99 WeakPolarHBondContact O-CA 3.48Å; I51-F100 HydrophobicContact CB-CB 4.25Å; I51-F100 HydrophobicContact CD1-CB 4.47Å; I51-F100 PolarHBondContact N-O 3.31Å; I51-F100 PolarHBondContact O-N 2.9Å; I51-L102 HydrophobicContact CD1-CD1 4.02Å
52D92.1Very high90.7Very high36 Ų3653.9 Ų53.919%0.19334%0.338CS..EExtended strand (participates in β ladder)trans-87.2108.8172.3-177-8.8000109.4S31 T54 G55 G56 F99S31-D52 PolarHBondContact O-N 2.62Å; D52-T54 VanDerWaalsContact C-N 3.3Å; D52-T54 WeakPolarHBondContact OD1-CA 3.45Å; D52-T54 PolarHBondContact OD1-N 2.86Å; D52-T54 PolarHBondContact OD1-OG1 2.79Å; D52-G55 PolarHBondContact OD1-N 2.64Å; D52-G56 PolarHBondContact OD2-N 2.88Å; D52-F99 HydrophobicContact CB-CD1 4Å; D52-F99 HydrophobicContact CB-CE1 3.72Å
53I88.9Confident90.4Very high0 Ų054 Ų540%033%0.333CS..THydrogen-bonded Turntrans-81.8-11-179.157.8165.2000113.2I51 L67 N97 T98 F100I51-I53 HydrophobicContact CG2-CG2 4.37Å; I53-L67 HydrophobicContact CB-CD2 4.48Å; I53-L67 HydrophobicContact CG2-CD2 4.49Å; I53-L67 HydrophobicContact CG2-CG 4.32Å; I53-N97 WeakPolarHBondContact CD1-O 3.31Å; I53-T98 VanDerWaalsContact CG1-C 3.45Å; I53-T98 VanDerWaalsContact CG1-O 3.27Å; I53-T98 WeakPolarHBondContact CG1-O 3.49Å; I53-T98 PolarHBondContact N-O 2.71Å; I53-F100 HydrophobicContact CD1-CE2 4.28Å; I53-F100 HydrophobicContact CG2-CD2 3.65Å; I53-F100 HydrophobicContact CG2-CE2 3.96Å
54T85.9Confident90.2Very high36 Ų3651 Ų5122%0.22131%0.311CS..THydrogen-bonded Turntrans-94.2-8.5178.563.80000113.5D52 G56 G57 F59 T98D52-T54 VanDerWaalsContact C-N 3.3Å; D52-T54 WeakPolarHBondContact OD1-CA 3.45Å; D52-T54 PolarHBondContact OD1-N 2.86Å; D52-T54 PolarHBondContact OD1-OG1 2.79Å; T54-G56 PolarHBondContact O-N 3.47Å; T54-G57 WeakPolarHBondContact O-CA 3.27Å; T54-G57 PolarHBondContact O-N 2.85Å; T54-F59 PolarHBondContact O-N 2.65Å; T54-T98 HydrophobicContact CG2-CG2 4Å
55G78.9Confident89.9Confident21 Ų2150.5 Ų50.522%0.21631%0.309CS..G310 helixtrans58.835.2-175.400000112.6D52 G57 S58D52-G55 PolarHBondContact OD1-N 2.64Å; G55-G57 PolarHBondContact O-N 2.9Å; G55-S58 PolarHBondContact O-N 2.66Å; G55-S58 PolarHBondContact O-OG 3.32Å
56G78.3Confident89.6Confident66 Ų6654 Ų5468%0.6833%0.325SS*.G310 helixtrans6522.5-171.400000114.5D52 T54D52-G56 PolarHBondContact OD2-N 2.88Å; T54-G56 PolarHBondContact O-N 3.47Å
57G77.6Confident89.3Confident63 Ų6354.2 Ų54.265%0.64933%0.329SS*.G310 helixtrans876.3-179.800000115T54 G55T54-G57 WeakPolarHBondContact O-CA 3.27Å; T54-G57 PolarHBondContact O-N 2.85Å; G55-G57 PolarHBondContact O-N 2.9Å
58S82.6Confident89Confident93 Ų9356.3 Ų56.365%0.6534%0.335SS*.THydrogen-bonded Turntrans-86.7-14.8177.464.80000114.2G55G55-S58 PolarHBondContact O-N 2.66Å; G55-S58 PolarHBondContact O-OG 3.32Å
59F86.3Confident88.8Confident69 Ų6960.5 Ų60.530%0.30335%0.354SS..SBendtrans-82.3141.3-178.2-66.7-12.6000112T54 E63 V64 L67T54-F59 PolarHBondContact O-N 2.65Å; F59-E63 HydrophobicContact CB-CB 3.96Å; F59-E63 HydrophobicContact CG-CB 4.28Å; F59-V64 HydrophobicContact CB-CG2 3.84Å; F59-L67 HydrophobicContact CD2-CD2 4.31Å; F59-L67 HydrophobicContact CE2-CD2 3.79Å
60S89.8Confident88.6Confident53 Ų5361.3 Ų61.337%0.37137%0.365SS..  trans-65.9161.8168.265.70000111.3E62 E63 V64S60-E62 PolarHBondContact O-N 3.17Å; S60-E63 WeakPolarHBondContact CB-OE2 3.23Å; S60-E63 PolarHBondContact N-OE2 2.92Å; S60-E63 PolarHBondContact O-N 3.13Å; S60-E63 VanDerWaalsContact OG-CG 3.32Å; S60-E63 WeakPolarHBondContact OG-CG 3.33Å; S60-E63 PolarHBondContact OG-N 3Å; S60-E63 PolarHBondContact OG-OE2 2.74Å; S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 2.83Å
61S88.9Confident88.6Confident101 Ų10160.7 Ų60.771%0.70636%0.362SS*.Hα-helixtrans-58.3-31.7177.149.10000113.4Q65S61-Q65 PolarHBondContact O-N 2.85Å
62E91.3Very high88.6Confident145 Ų14563.9 Ų63.968%0.67838%0.379SS*.Hα-helixtrans-71-48.3177.4-68.6175.1-179.300110.6S60 V64 Q65 E66S60-E62 PolarHBondContact O-N 3.17Å; E62-V64 VanDerWaalsContact C-N 3.32Å; E62-V64 PolarHBondContact O-N 2.88Å; E62-Q65 WeakPolarHBondContact O-CB 3.31Å; E62-Q65 PolarHBondContact O-N 2.91Å; E62-Q65 VanDerWaalsContact O-N 3.09Å; E62-E66 WeakPolarHBondContact O-CG 3.21Å; E62-E66 PolarHBondContact O-N 3.39Å
63E89.9Confident88.7Confident88 Ų8868.2 Ų68.241%0.41140%0.397SS..Hα-helixtrans-60.9-38.7176.8-72.1166.1127.100112.7F59 S60 Q65 E66 L67F59-E63 HydrophobicContact CB-CB 3.96Å; F59-E63 HydrophobicContact CG-CB 4.28Å; S60-E63 WeakPolarHBondContact CB-OE2 3.23Å; S60-E63 PolarHBondContact N-OE2 2.92Å; S60-E63 PolarHBondContact O-N 3.13Å; S60-E63 VanDerWaalsContact OG-CG 3.32Å; S60-E63 WeakPolarHBondContact OG-CG 3.33Å; S60-E63 PolarHBondContact OG-N 3Å; S60-E63 PolarHBondContact OG-OE2 2.74Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.06Å; E63-E66 PolarHBondContact O-N 3.17Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 PolarHBondContact O-N 3.07Å
64V89.8Confident89Confident34 Ų3468.8 Ų68.821%0.20640%0.399CS..Hα-helixtrans-62-42.8174.8173.80000110.8F59 S60 E62 R68F59-V64 HydrophobicContact CB-CG2 3.84Å; S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 2.83Å; E62-V64 VanDerWaalsContact C-N 3.32Å; E62-V64 PolarHBondContact O-N 2.88Å; V64-R68 WeakPolarHBondContact O-CB 3.41Å; V64-R68 PolarHBondContact O-N 3.38Å
65Q91.4Very high89.5Confident96 Ų9667.4 Ų67.445%0.44939%0.391SS..Hα-helixtrans-67-44.6178.9-177.259.832.200111.2S61 E62 E63 L67 R68 E69S61-Q65 PolarHBondContact O-N 2.85Å; E62-Q65 WeakPolarHBondContact O-CB 3.31Å; E62-Q65 PolarHBondContact O-N 2.91Å; E62-Q65 VanDerWaalsContact O-N 3.09Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.06Å; Q65-L67 PolarHBondContact O-N 2.92Å; Q65-R68 PolarHBondContact O-N 2.94Å; Q65-E69 PolarHBondContact NE2-OE1 2.85Å; Q65-E69 WeakPolarHBondContact O-CG 3.45Å; Q65-E69 PolarHBondContact O-N 2.8Å
66E91.3Very high90.3Very high131 Ų13169.9 Ų69.961%0.61240%0.399SS*.Hα-helixtrans-59.9-46.3176.8-72.2179.4176.700112.1E62 E63 R68 E69 A70E62-E66 WeakPolarHBondContact O-CG 3.21Å; E62-E66 PolarHBondContact O-N 3.39Å; E63-E66 PolarHBondContact O-N 3.17Å; E66-R68 VanDerWaalsContact C-N 3.35Å; E66-R68 PolarHBondContact O-N 3.4Å; E66-E69 PolarHBondContact O-N 2.96Å; E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.29Å
67L90.9Very high91.3Very high43 Ų4367 Ų6723%0.22537%0.368CS..Hα-helixtrans-66.7-36.6179-177.657000112.1I53 F59 E63 Q65 A70 T71I53-L67 HydrophobicContact CB-CD2 4.48Å; I53-L67 HydrophobicContact CG2-CD2 4.49Å; I53-L67 HydrophobicContact CG2-CG 4.32Å; F59-L67 HydrophobicContact CD2-CD2 4.31Å; F59-L67 HydrophobicContact CE2-CD2 3.79Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 PolarHBondContact O-N 3.07Å; Q65-L67 PolarHBondContact O-N 2.92Å; L67-A70 PolarHBondContact O-N 2.85Å; L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.05Å; L67-T71 PolarHBondContact O-OG1 3.35Å
68R92.6Very high92.2Very high56 Ų5664.1 Ų64.121%0.21134%0.338CS..Hα-helixtrans-62.8-47.3173.5-173.8174.2-155.9133.5-5.2111.1V64 Q65 E66 T71 L72 E95 F100V64-R68 WeakPolarHBondContact O-CB 3.41Å; V64-R68 PolarHBondContact O-N 3.38Å; Q65-R68 PolarHBondContact O-N 2.94Å; E66-R68 VanDerWaalsContact C-N 3.35Å; E66-R68 PolarHBondContact O-N 3.4Å; R68-T71 PolarHBondContact O-N 2.8Å; R68-L72 HydrophobicContact CG-CD1 4.3Å; R68-L72 WeakPolarHBondContact O-CG 2.83Å; R68-L72 PolarHBondContact O-N 3.09Å; R68-E95 IonicContact CZ-OE1 3.53Å; R68-E95 IonicContact NE-OE1 3.44Å; R68-E95 PolarHBondContact NE-OE1 3.02Å; R68-E95 IonicContact NH2-OE1 2.74Å; R68-E95 PolarHBondContact NH2-OE1 2.85Å; R68-F100 HydrophobicContact CG-CE2 3.95Å; R68-F100 HydrophobicContact CG-CZ 4.03Å
69E93.1Very high92.8Very high88 Ų8867 Ų6741%0.41133%0.334SS..Hα-helixtrans-63.3-40.7177.2-73.5179.1-164.300112.4Q65 E66 L72 K73Q65-E69 PolarHBondContact NE2-OE1 2.85Å; Q65-E69 WeakPolarHBondContact O-CG 3.45Å; Q65-E69 PolarHBondContact O-N 2.8Å; E66-E69 PolarHBondContact O-N 2.96Å; E69-L72 PolarHBondContact O-N 3.28Å; E69-K73 VanDerWaalsContact O-CG 3.32Å; E69-K73 WeakPolarHBondContact O-CG 3.3Å; E69-K73 PolarHBondContact O-N 2.97Å
70A92.3Very high93.3Very high42 Ų4268 Ų6835%0.34734%0.339SS..Hα-helixtrans-61-44.4174.200000111.6E66 L67 L72 K73 E74E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.29Å; L67-A70 PolarHBondContact O-N 2.85Å; A70-L72 PolarHBondContact O-N 3.47Å; A70-K73 WeakPolarHBondContact O-CB 3.35Å; A70-K73 PolarHBondContact O-N 3.21Å; A70-E74 PolarHBondContact O-N 2.84Å
71T93.9Very high93.6Very high4 Ų466 Ų663%0.02532%0.324CS..Hα-helixtrans-64.9-40.2177.9-53.70000111.7I51 L67 R68 K73 E74 V75 F100I51-T71 HydrophobicContact CD1-CG2 3.75Å; L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.05Å; L67-T71 PolarHBondContact O-OG1 3.35Å; R68-T71 PolarHBondContact O-N 2.8Å; T71-K73 VanDerWaalsContact C-N 3.35Å; T71-E74 WeakPolarHBondContact O-CB 3.4Å; T71-E74 PolarHBondContact O-N 2.91Å; T71-V75 WeakPolarHBondContact O-CG2 3.48Å; T71-V75 PolarHBondContact O-N 3.25Å; T71-F100 HydrophobicContact CG2-CB 3.92Å; T71-F100 HydrophobicContact CG2-CD1 3.66Å; T71-F100 HydrophobicContact CG2-CD2 3.93Å; T71-F100 HydrophobicContact CG2-CE1 4.08Å; T71-F100 HydrophobicContact CG2-CE2 4.33Å; T71-F100 HydrophobicContact CG2-CG 3.56Å; T71-F100 HydrophobicContact CG2-CZ 4.38Å
72L94.4Very high93.9Very high76 Ų7664.4 Ų64.440%0.39831%0.313SS..Hα-helixtrans-65.5-37.3175.7-72.1172000112.2R68 E69 A70 V75 D76 F100R68-L72 HydrophobicContact CG-CD1 4.3Å; R68-L72 WeakPolarHBondContact O-CG 2.83Å; R68-L72 PolarHBondContact O-N 3.09Å; E69-L72 PolarHBondContact O-N 3.28Å; A70-L72 PolarHBondContact O-N 3.47Å; L72-V75 PolarHBondContact O-N 3.38Å; L72-D76 PolarHBondContact O-N 3Å; L72-F100 HydrophobicContact CD2-CE1 3.87Å; L72-F100 HydrophobicContact CD2-CZ 4.04Å; L72-F100 HydrophobicContact CG-CE1 4.37Å; L72-F100 HydrophobicContact CG-CZ 4.15Å
73K94.8Very high94Very high128 Ų12860.4 Ų60.456%0.55731%0.31SS*.Hα-helixtrans-63.5-43172.5-74.1167.9-179.6166.90111.7E69 A70 T71 V75 D76 I77E69-K73 VanDerWaalsContact O-CG 3.32Å; E69-K73 WeakPolarHBondContact O-CG 3.3Å; E69-K73 PolarHBondContact O-N 2.97Å; A70-K73 WeakPolarHBondContact O-CB 3.35Å; A70-K73 PolarHBondContact O-N 3.21Å; T71-K73 VanDerWaalsContact C-N 3.35Å; K73-V75 VanDerWaalsContact C-N 3.34Å; K73-V75 PolarHBondContact O-N 3.43Å; K73-D76 PolarHBondContact O-N 3.47Å; K73-I77 WeakPolarHBondContact O-CG1 3.46Å; K73-I77 PolarHBondContact O-N 3.01Å
74E95.4Very high94.3Very high11 Ų1158.2 Ų58.25%0.05130%0.3CS..Hα-helixtrans-57.4-47.1174.1-179.9-179.5-178.300110.8K49 A70 T71 D76 I77 L78 F169K49-E74 IonicContact NZ-OE1 3.92Å; K49-E74 PolarHBondContact NZ-OE1 3.27Å; K49-E74 IonicContact NZ-OE2 3.79Å; A70-E74 PolarHBondContact O-N 2.84Å; T71-E74 WeakPolarHBondContact O-CB 3.4Å; T71-E74 PolarHBondContact O-N 2.91Å; E74-D76 PolarHBondContact O-N 3.38Å; E74-I77 PolarHBondContact O-N 3.3Å; E74-L78 HydrophobicContact CG-CD1 3.98Å; E74-L78 WeakPolarHBondContact O-CB 3.41Å; E74-L78 WeakPolarHBondContact O-CG 3.47Å; E74-L78 PolarHBondContact O-N 2.97Å; E74-F169 HydrophobicContact CG-CB 4.14Å
75V95.9Very high94.6Very high8 Ų860.6 Ų60.65%0.04832%0.316CS..Hα-helixtrans-62.3-43.1177.7171.10000112.2T71 L72 K73 L78 R79 L90 T93 L102T71-V75 WeakPolarHBondContact O-CG2 3.48Å; T71-V75 PolarHBondContact O-N 3.25Å; L72-V75 PolarHBondContact O-N 3.38Å; K73-V75 VanDerWaalsContact C-N 3.34Å; K73-V75 PolarHBondContact O-N 3.43Å; V75-L78 PolarHBondContact O-N 3.48Å; V75-R79 VanDerWaalsContact O-CG 3.31Å; V75-R79 WeakPolarHBondContact O-CG 3.36Å; V75-R79 PolarHBondContact O-N 3.39Å; V75-L90 HydrophobicContact CG1-CD2 4.13Å; V75-T93 HydrophobicContact CG1-CG2 4.16Å; V75-T93 HydrophobicContact CG2-CG2 4.47Å; V75-L102 HydrophobicContact CG2-CD1 4.16Å; V75-L102 HydrophobicContact CG2-CD2 3.53Å
76D97Very high94.9Very high73 Ų7357.1 Ų57.139%0.3930%0.301SS..Hα-helixtrans-61.7-44.7177.4177.865.3000111.9L72 K73 E74 R79 K80L72-D76 PolarHBondContact O-N 3Å; K73-D76 PolarHBondContact O-N 3.47Å; E74-D76 PolarHBondContact O-N 3.38Å; D76-R79 PolarHBondContact O-N 2.94Å; D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 2.69Å; D76-K80 IonicContact OD1-NZ 3.91Å; D76-K80 WeakPolarHBondContact OD2-CE 3.35Å; D76-K80 IonicContact OD2-NZ 3.86Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å
77I97.6Very high95.3Very high5 Ų551 Ų513%0.02627%0.272CS..Hα-helixtrans-61.1-49.7175.6-72.2170.4000110.6K73 E74 R79 K80 V81 I146 F169 S172K73-I77 WeakPolarHBondContact O-CG1 3.46Å; K73-I77 PolarHBondContact O-N 3.01Å; E74-I77 PolarHBondContact O-N 3.3Å; I77-R79 PolarHBondContact O-N 3.31Å; I77-K80 WeakPolarHBondContact O-CB 3.44Å; I77-K80 PolarHBondContact O-N 3.27Å; I77-K80 VanDerWaalsContact O-N 3.07Å; I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 2.77Å; I77-V81 VanDerWaalsContact O-N 3.1Å; I77-I146 HydrophobicContact CG2-CD1 4.33Å; I77-I146 HydrophobicContact CG2-CG2 4.08Å; I77-F169 HydrophobicContact CG2-CB 4.23Å; I77-F169 HydrophobicContact CG2-CD1 3.53Å; I77-F169 HydrophobicContact CG2-CE1 4.24Å; I77-F169 HydrophobicContact CG2-CG 4.15Å; I77-S172 VanDerWaalsContact CD1-C 3.49Å; I77-S172 VanDerWaalsContact CD1-O 3.3Å; I77-S172 WeakPolarHBondContact CD1-O 3.3Å
78L97Very high95.6Very high3 Ų349.1 Ų49.12%0.01626%0.262CS..Hα-helixtrans-57.3-37.6178.3-78.3167.2000112.5E74 V75 S82 I88 L90 F104 F169E74-L78 HydrophobicContact CG-CD1 3.98Å; E74-L78 WeakPolarHBondContact O-CB 3.41Å; E74-L78 WeakPolarHBondContact O-CG 3.47Å; E74-L78 PolarHBondContact O-N 2.97Å; V75-L78 PolarHBondContact O-N 3.48Å; L78-S82 PolarHBondContact O-N 3.31Å; L78-S82 VanDerWaalsContact O-N 3.16Å; L78-I88 HydrophobicContact CD2-CG2 4.17Å; L78-L90 HydrophobicContact CB-CB 4.27Å; L78-L90 HydrophobicContact CB-CD2 3.98Å; L78-L90 HydrophobicContact CD1-CD2 4.3Å; L78-F104 HydrophobicContact CD1-CE1 3.78Å; L78-F104 HydrophobicContact CD1-CZ 3.83Å; L78-F104 HydrophobicContact CD2-CE1 4.25Å; L78-F169 HydrophobicContact CD2-CB 4.49Å; L78-F169 HydrophobicContact CD2-CD2 3.53Å; L78-F169 HydrophobicContact CD2-CE2 4Å; L78-F169 HydrophobicContact CD2-CG 4.15Å; L78-F169 HydrophobicContact CG-CB 4.37Å; L78-F169 HydrophobicContact CG-CD2 4.29Å; L78-F169 HydrophobicContact CG-CG 4.47Å
79R96.1Very high95.7Very high153 Ų15347.5 Ų47.558%0.57726%0.257SS*.Hα-helixtrans-67.2-42.2175.1-74.7174.8178.4176.32.2112.1V75 D76 I77 V81 S82 L90 T93V75-R79 VanDerWaalsContact O-CG 3.31Å; V75-R79 WeakPolarHBondContact O-CG 3.36Å; V75-R79 PolarHBondContact O-N 3.39Å; D76-R79 PolarHBondContact O-N 2.94Å; I77-R79 PolarHBondContact O-N 3.31Å; R79-V81 VanDerWaalsContact C-N 3.3Å; R79-V81 PolarHBondContact O-N 2.97Å; R79-S82 VanDerWaalsContact O-CB 3.28Å; R79-S82 WeakPolarHBondContact O-CB 3.32Å; R79-S82 PolarHBondContact O-N 2.95Å; R79-L90 HydrophobicContact CG-CD2 4.46Å; R79-T93 PolarHBondContact NH2-OG1 2.84Å
80K96.6Very high95.9Very high91 Ų9144.4 Ų44.440%0.39624%0.243SC..Hα-helixtrans-63.3-34.7178.7-75.2168.9177164.90113.2D76 I77D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 2.69Å; D76-K80 IonicContact OD1-NZ 3.91Å; D76-K80 WeakPolarHBondContact OD2-CE 3.35Å; D76-K80 IonicContact OD2-NZ 3.86Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å; I77-K80 WeakPolarHBondContact O-CB 3.44Å; I77-K80 PolarHBondContact O-N 3.27Å; I77-K80 VanDerWaalsContact O-N 3.07Å
81V96.4Very high96.1Very high9 Ų947 Ų476%0.05525%0.247CC..THydrogen-bonded Turntrans-96.82.8-177-52.80000113.1I77 R79 H84 I87 L141 L144 I146 F169I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 2.77Å; I77-V81 VanDerWaalsContact O-N 3.1Å; R79-V81 VanDerWaalsContact C-N 3.3Å; R79-V81 PolarHBondContact O-N 2.97Å; V81-H84 PolarHBondContact O-N 2.77Å; V81-I87 HydrophobicContact CB-CD1 3.76Å; V81-I87 HydrophobicContact CG2-CD1 3.93Å; V81-I87 HydrophobicContact CG2-CG2 3.85Å; V81-L141 HydrophobicContact CB-CD2 4.32Å; V81-L141 HydrophobicContact CG1-CD2 3.52Å; V81-L144 HydrophobicContact CG1-CD1 4.24Å; V81-I146 HydrophobicContact CG1-CD1 3.84Å; V81-F169 HydrophobicContact CG2-CZ 4.41Å
82S94.8Very high96.1Very high68 Ų6849 Ų4948%0.47626%0.258SS..THydrogen-bonded Turntrans-58.3141.9178-171.50000111.2L78 R79 Q89L78-S82 PolarHBondContact O-N 3.31Å; L78-S82 VanDerWaalsContact O-N 3.16Å; R79-S82 VanDerWaalsContact O-CB 3.28Å; R79-S82 WeakPolarHBondContact O-CB 3.32Å; R79-S82 PolarHBondContact O-N 2.95Å; S82-Q89 PolarHBondContact OG-OE1 2.72Å
83G93.2Very high96.2Very high61 Ų6147.4 Ų47.463%0.62925%0.251SS*.THydrogen-bonded Turntrans92.5-15-176.100000114.8
84H96.4Very high96.2Very high42 Ų4242.4 Ų42.419%0.19423%0.229CC..  trans-67.5127.8175.1-168.1-80.7000111.1V81 N86 I87 Q89 V137V81-H84 PolarHBondContact O-N 2.77Å; H84-N86 PolarHBondContact ND1-N 3.38Å; H84-N86 VanDerWaalsContact ND1-N 3.17Å; H84-N86 PolarHBondContact O-N 2.93Å; H84-N86 VanDerWaalsContact O-N 3.13Å; H84-I87 HydrophobicContact CB-CB 4.15Å; H84-I87 HydrophobicContact CB-CD1 3.73Å; H84-I87 HydrophobicContact CB-CG1 3.93Å; H84-I87 PolarHBondContact O-N 2.82Å; H84-Q89 PolarHBondContact O-NE2 3.15Å; H84-V137 VanDerWaalsContact CE1-CG2 3.47Å; H84-V137 WeakPolarHBondContact CE1-CG2 3.34Å
85P95.9Very high96Very high85 Ų8545.2 Ų45.255%0.55224%0.242SC*.THydrogen-bonded Turntrans-64.3-24.9-171.124.9-35.5000113.7K165P85-K165 WeakPolarHBondContact O-CD 3.18Å; P85-K165 WeakPolarHBondContact O-CE 3.41Å; P85-K165 PolarHBondContact O-NZ 3.37Å
86N98Very high95.6Very high22 Ų2245.4 Ų45.412%0.11824%0.243CC..THydrogen-bonded Turntrans-10817.6-179.4-62105.3000114.1H84 V137 I164 K165 L166H84-N86 PolarHBondContact ND1-N 3.38Å; H84-N86 VanDerWaalsContact ND1-N 3.17Å; H84-N86 PolarHBondContact O-N 2.93Å; H84-N86 VanDerWaalsContact O-N 3.13Å; N86-V137 HydrophobicContact CB-CG2 3.39Å; N86-V137 WeakPolarHBondContact O-CG2 3.36Å; N86-I164 WeakPolarHBondContact CA-O 3.27Å; N86-I164 HydrophobicContact CB-CG1 4.44Å; N86-I164 PolarHBondContact ND2-O 3.31Å; N86-K165 CarbonylContact O-C 3.56Å; N86-K165 WeakPolarHBondContact O-CA 3.03Å; N86-L166 PolarHBondContact O-N 2.88Å
87I98.1Very high95.1Very high2 Ų248.2 Ų48.21%0.0126%0.258CS..BIsolated β-bridgetrans-113.4144.1170.4-60.2175.9000108.8V81 H84 Q89 V137 L141 F169V81-I87 HydrophobicContact CB-CD1 3.76Å; V81-I87 HydrophobicContact CG2-CD1 3.93Å; V81-I87 HydrophobicContact CG2-CG2 3.85Å; H84-I87 HydrophobicContact CB-CB 4.15Å; H84-I87 HydrophobicContact CB-CD1 3.73Å; H84-I87 HydrophobicContact CB-CG1 3.93Å; H84-I87 PolarHBondContact O-N 2.82Å; I87-Q89 PolarHBondContact O-NE2 3.03Å; I87-V137 HydrophobicContact CD1-CG1 3.87Å; I87-V137 HydrophobicContact CG1-CB 4.45Å; I87-V137 HydrophobicContact CG1-CG1 3.65Å; I87-V137 HydrophobicContact CG1-CG2 4.01Å; I87-L141 HydrophobicContact CD1-CD2 4.16Å; I87-F169 HydrophobicContact CD1-CZ 4.41Å; I87-F169 HydrophobicContact CG2-CE2 3.71Å; I87-F169 HydrophobicContact CG2-CZ 3.7Å
88I97.1Very high94.7Very high5 Ų550.7 Ų50.73%0.02627%0.274CS..  trans-60.5135.7174.3-164.762.9000110.5L78 F104 D105 M107 L157 L166L78-I88 HydrophobicContact CD2-CG2 4.17Å; I88-F104 HydrophobicContact CD1-CB 4.38Å; I88-F104 HydrophobicContact CG1-CB 3.94Å; I88-F104 HydrophobicContact CG1-CD1 3.81Å; I88-F104 HydrophobicContact CG1-CG 4.14Å; I88-F104 HydrophobicContact CG2-CD1 4.1Å; I88-F104 HydrophobicContact CG2-CE1 4.2Å; I88-D105 HydrophobicContact CD1-CB 4.27Å; I88-M107 HydrophobicContact CD1-CE 3.71Å; I88-M107 HydrophobicContact CD1-CG 3.93Å; I88-M107 HydrophobicContact CD1-SD 4.46Å; I88-L157 HydrophobicContact CD1-CD1 4.48Å; I88-L166 WeakPolarHBondContact CB-O 3.5Å; I88-L166 WeakPolarHBondContact CG2-O 3.47Å; I88-L166 PolarHBondContact N-O 3.06Å
89Q96.3Very high94.4Very high22 Ų2254.1 Ų54.110%0.10329%0.288CS..  trans-96.5120-176.3-55.6-61.6-51.700110.7S82 H84 I87 K91 F104 D105S82-Q89 PolarHBondContact OG-OE1 2.72Å; H84-Q89 PolarHBondContact O-NE2 3.15Å; I87-Q89 PolarHBondContact O-NE2 3.03Å; Q89-K91 HydrophobicContact CB-CD 4.42Å; Q89-K91 PolarHBondContact O-N 2.74Å; Q89-F104 VanDerWaalsContact O-CA 3.31Å; Q89-F104 WeakPolarHBondContact O-CA 3.36Å; Q89-D105 VanDerWaalsContact CB-OD2 3.27Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.32Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.45Å; Q89-D105 PolarHBondContact O-N 3.44Å
90L96.8Very high94.3Very high23 Ų2347 Ų4712%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-74.6113.2168.6-176.267000109.1V75 L78 R79 T93 L102 V103 F104V75-L90 HydrophobicContact CG1-CD2 4.13Å; L78-L90 HydrophobicContact CB-CB 4.27Å; L78-L90 HydrophobicContact CB-CD2 3.98Å; L78-L90 HydrophobicContact CD1-CD2 4.3Å; R79-L90 HydrophobicContact CG-CD2 4.46Å; L90-T93 HydrophobicContact CD1-CG2 3.89Å; L90-T93 HydrophobicContact CD2-CG2 3.65Å; L90-T93 HydrophobicContact CG-CG2 3.96Å; L90-L102 HydrophobicContact CD1-CB 3.87Å; L90-L102 HydrophobicContact CD1-CD2 4.49Å; L90-V103 CarbonylContact C-O 3.53Å; L90-F104 HydrophobicContact CB-CD1 4.25Å; L90-F104 HydrophobicContact CB-CE1 3.96Å; L90-F104 HydrophobicContact CD1-CD1 4.13Å; L90-F104 HydrophobicContact CD1-CE1 3.62Å; L90-F104 HydrophobicContact CD1-CE2 4.38Å; L90-F104 HydrophobicContact CD1-CZ 3.76Å; L90-F104 HydrophobicContact CG-CE1 4.39Å
91K96.1Very high94.3Very high95 Ų9542.9 Ų42.941%0.41324%0.244SC..EExtended strand (participates in β ladder)trans-90.1-39.6-178.2-59.6-56.4-177.7-171.40112.7Y46 Q89 V103 D105Y46-K91 HydrophobicContact CD1-CG 4.12Å; Y46-K91 HydrophobicContact CE1-CG 3.86Å; Q89-K91 HydrophobicContact CB-CD 4.42Å; Q89-K91 PolarHBondContact O-N 2.74Å; K91-V103 HydrophobicContact CB-CG1 4.38Å; K91-V103 PolarHBondContact N-O 3.47Å; K91-D105 WeakPolarHBondContact CE-OD1 3.43Å; K91-D105 WeakPolarHBondContact CE-OD2 3.31Å; K91-D105 IonicContact NZ-OD1 3.13Å; K91-D105 PolarHBondContact NZ-OD1 3.25Å; K91-D105 VanDerWaalsContact NZ-OD1 3.13Å; K91-D105 IonicContact NZ-OD2 2.92Å; K91-D105 PolarHBondContact NZ-OD2 2.69Å
92D95.1Very high94.3Very high48 Ų4842.4 Ų42.426%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-154.5154.5-172.4-151.2-11.3000111Y20 Y94 V103Y20-D92 HydrophobicContact CE2-CB 4.47Å; Y20-D92 WeakPolarHBondContact CE2-OD2 3.41Å; Y20-D92 PolarHBondContact OH-OD2 2.97Å; D92-Y94 HydrophobicContact CB-CE2 4.05Å; D92-Y94 VanDerWaalsContact OD2-CE2 3.23Å; D92-Y94 WeakPolarHBondContact OD2-CE2 3.4Å; D92-Y94 PolarHBondContact OD2-OH 3.08Å; D92-V103 HydrophobicContact CB-CB 3.89Å; D92-V103 HydrophobicContact CB-CG2 4.02Å; D92-V103 PolarHBondContact N-O 3.02Å; D92-V103 PolarHBondContact O-N 3.36Å
93T95.3Very high94.4Very high42 Ų4239.2 Ų39.226%0.25822%0.218SC..EExtended strand (participates in β ladder)trans-140.6128.9-178.654.70000110.6V75 R79 L90 F101 L102V75-T93 HydrophobicContact CG1-CG2 4.16Å; V75-T93 HydrophobicContact CG2-CG2 4.47Å; R79-T93 PolarHBondContact NH2-OG1 2.84Å; L90-T93 HydrophobicContact CD1-CG2 3.89Å; L90-T93 HydrophobicContact CD2-CG2 3.65Å; L90-T93 HydrophobicContact CG-CG2 3.96Å; T93-F101 WeakPolarHBondContact CA-O 3.44Å; T93-L102 HydrophobicContact CG2-CD2 3.8Å
94Y94.3Very high94.6Very high23 Ų2337 Ų379%0.0919%0.192CC..EExtended strand (participates in β ladder)trans-125.5138.2171.7-54.3-98.4000109.7F16 N19 Y20 D92 F101 V103F16-Y94 HydrophobicContact CB-CD1 4.11Å; F16-Y94 HydrophobicContact CB-CD2 3.82Å; F16-Y94 HydrophobicContact CB-CE2 4.28Å; F16-Y94 HydrophobicContact CB-CG 3.74Å; F16-Y94 AromaticContact CD2-CD2 3.87Å; F16-Y94 HydrophobicContact CD2-CD2 3.87Å; F16-Y94 HydrophobicContact CD2-CE2 4.05Å; F16-Y94 HydrophobicContact CG-CD2 4.34Å; N19-Y94 PolarHBondContact ND2-OH 2.8Å; Y20-Y94 HydrophobicContact CD2-CE2 4.17Å; Y20-Y94 AromaticContact CE2-CE2 3.91Å; Y20-Y94 HydrophobicContact CE2-CE2 3.91Å; D92-Y94 HydrophobicContact CB-CE2 4.05Å; D92-Y94 VanDerWaalsContact OD2-CE2 3.23Å; D92-Y94 WeakPolarHBondContact OD2-CE2 3.4Å; D92-Y94 PolarHBondContact OD2-OH 3.08Å; Y94-F101 HydrophobicContact CD2-CB 4.37Å; Y94-F101 PolarHBondContact N-O 2.82Å; Y94-F101 PolarHBondContact O-N 2.8Å; Y94-V103 HydrophobicContact CE2-CG2 4.47Å
95E91.1Very high94.6Very high69 Ų6937 Ų3732%0.32219%0.193SC..EExtended strand (participates in β ladder)trans-126.1136.6-176.3179176.4179.700109.7R68 F100R68-E95 IonicContact CZ-OE1 3.53Å; R68-E95 IonicContact NE-OE1 3.44Å; R68-E95 PolarHBondContact NE-OE1 3.02Å; R68-E95 IonicContact NH2-OE1 2.74Å; R68-E95 PolarHBondContact NH2-OE1 2.85Å; E95-F100 HydrophobicContact CB-CD1 4.24Å; E95-F100 HydrophobicContact CB-CE1 3.98Å; E95-F100 HydrophobicContact CB-CZ 4.36Å; E95-F100 HydrophobicContact CG-CD1 4.21Å; E95-F100 HydrophobicContact CG-CD2 4.5Å; E95-F100 HydrophobicContact CG-CE1 3.64Å; E95-F100 HydrophobicContact CG-CE2 3.96Å; E95-F100 HydrophobicContact CG-CZ 3.51Å; E95-F100 VanDerWaalsContact OE1-CZ 3.25Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.47Å
96T89Confident94.6Very high13 Ų1334.5 Ų34.58%0.0818%0.175CC..  trans-128.1-178.4168.176.90000111A13 T98 F99 F101A13-T96 HydrophobicContact CB-CG2 3.36Å; T96-T98 PolarHBondContact O-N 2.75Å; T96-T98 PolarHBondContact OG1-N 2.98Å; T96-T98 PolarHBondContact OG1-OG1 2.9Å; T96-F99 PolarHBondContact N-O 2.95Å; T96-F99 PolarHBondContact OG1-N 2.67Å; T96-F99 PolarHBondContact OG1-O 2.8Å; T96-F101 HydrophobicContact CG2-CE2 4.34Å
97N86Confident94.5Very high132 Ų13234.7 Ų34.771%0.70618%0.175SC*.SBendtrans-69.6-12.5172.3-64.4-23.5000113.5I53I53-N97 WeakPolarHBondContact CD1-O 3.31Å
98T88.4Confident94.1Very high57 Ų5740.4 Ų40.435%0.3520%0.2SC..SBendtrans-125.3-26-174.350.90000113.8I53 T54 T96I53-T98 VanDerWaalsContact CG1-C 3.45Å; I53-T98 VanDerWaalsContact CG1-O 3.27Å; I53-T98 WeakPolarHBondContact CG1-O 3.49Å; I53-T98 PolarHBondContact N-O 2.71Å; T54-T98 HydrophobicContact CG2-CG2 4Å; T96-T98 PolarHBondContact O-N 2.75Å; T96-T98 PolarHBondContact OG1-N 2.98Å; T96-T98 PolarHBondContact OG1-OG1 2.9Å
99F91.6Very high94Very high74 Ų7447.2 Ų47.233%0.32523%0.226SC..EExtended strand (participates in β ladder)trans-139.5146.4-174.2-59.7-74.8000112.9I50 I51 D52 T96 F101I50-F99 HydrophobicContact CG2-CB 4.5Å; I50-F99 HydrophobicContact CG2-CD1 4.11Å; I51-F99 CarbonylContact O-C 3.56Å; I51-F99 WeakPolarHBondContact O-CA 3.48Å; D52-F99 HydrophobicContact CB-CD1 4Å; D52-F99 HydrophobicContact CB-CE1 3.72Å; T96-F99 PolarHBondContact N-O 2.95Å; T96-F99 PolarHBondContact OG1-N 2.67Å; T96-F99 PolarHBondContact OG1-O 2.8Å; F99-F101 HydrophobicContact CB-CD2 4.36Å; F99-F101 HydrophobicContact CB-CE2 3.66Å; F99-F101 HydrophobicContact CB-CZ 3.98Å; F99-F101 HydrophobicContact CG-CZ 4.5Å
100F94.4Very high93.9Very high5 Ų547.4 Ų47.42%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-105138.4158.5-81.2-104.4000110I50 I51 I53 R68 T71 L72 E95I50-F100 CarbonylContact C-O 3.57Å; I50-F100 VanDerWaalsContact CA-O 3.3Å; I50-F100 WeakPolarHBondContact CA-O 3.48Å; I51-F100 HydrophobicContact CB-CB 4.25Å; I51-F100 HydrophobicContact CD1-CB 4.47Å; I51-F100 PolarHBondContact N-O 3.31Å; I51-F100 PolarHBondContact O-N 2.9Å; I53-F100 HydrophobicContact CD1-CE2 4.28Å; I53-F100 HydrophobicContact CG2-CD2 3.65Å; I53-F100 HydrophobicContact CG2-CE2 3.96Å; R68-F100 HydrophobicContact CG-CE2 3.95Å; R68-F100 HydrophobicContact CG-CZ 4.03Å; T71-F100 HydrophobicContact CG2-CB 3.92Å; T71-F100 HydrophobicContact CG2-CD1 3.66Å; T71-F100 HydrophobicContact CG2-CD2 3.93Å; T71-F100 HydrophobicContact CG2-CE1 4.08Å; T71-F100 HydrophobicContact CG2-CE2 4.33Å; T71-F100 HydrophobicContact CG2-CG 3.56Å; T71-F100 HydrophobicContact CG2-CZ 4.38Å; L72-F100 HydrophobicContact CD2-CE1 3.87Å; L72-F100 HydrophobicContact CD2-CZ 4.04Å; L72-F100 HydrophobicContact CG-CE1 4.37Å; L72-F100 HydrophobicContact CG-CZ 4.15Å; E95-F100 HydrophobicContact CB-CD1 4.24Å; E95-F100 HydrophobicContact CB-CE1 3.98Å; E95-F100 HydrophobicContact CB-CZ 4.36Å; E95-F100 HydrophobicContact CG-CD1 4.21Å; E95-F100 HydrophobicContact CG-CD2 4.5Å; E95-F100 HydrophobicContact CG-CE1 3.64Å; E95-F100 HydrophobicContact CG-CE2 3.96Å; E95-F100 HydrophobicContact CG-CZ 3.51Å; E95-F100 VanDerWaalsContact OE1-CZ 3.25Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.47Å
101F96.1Very high93.9Very high3 Ų349.5 Ų49.51%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-117.4111.7172.2-55.6-101.6000108.3A13 F16 Y17 V48 I50 T93 Y94 T96 F99A13-F101 HydrophobicContact CB-CE2 4.12Å; A13-F101 HydrophobicContact CB-CZ 4.4Å; F16-F101 HydrophobicContact CB-CD1 4.39Å; F16-F101 HydrophobicContact CB-CG 4.27Å; F16-F101 AromaticContact CD1-CD1 3.69Å; F16-F101 HydrophobicContact CD1-CD1 3.69Å; F16-F101 AromaticContact CD1-CE1 3.85Å; F16-F101 HydrophobicContact CD1-CE1 3.85Å; F16-F101 HydrophobicContact CD1-CG 4.38Å; F16-F101 HydrophobicContact CD2-CB 4.09Å; F16-F101 HydrophobicContact CD2-CD1 4.16Å; F16-F101 HydrophobicContact CD2-CG 4.31Å; F16-F101 HydrophobicContact CE1-CD1 4.01Å; F16-F101 HydrophobicContact CE1-CE1 4.22Å; F16-F101 HydrophobicContact CE2-CD1 4.44Å; F16-F101 HydrophobicContact CG-CB 4.29Å; F16-F101 AromaticContact CG-CD1 3.79Å; F16-F101 HydrophobicContact CG-CD1 3.79Å; F16-F101 HydrophobicContact CG-CE1 4.31Å; F16-F101 HydrophobicContact CG-CG 4.04Å; F16-F101 HydrophobicContact CZ-CD1 4.38Å; Y17-F101 HydrophobicContact CE2-CE1 4.44Å; Y17-F101 HydrophobicContact CE2-CZ 4.34Å; V48-F101 HydrophobicContact CG2-CB 4.04Å; V48-F101 HydrophobicContact CG2-CD1 4.27Å; I50-F101 HydrophobicContact CB-CD1 4.5Å; I50-F101 HydrophobicContact CD1-CD1 4.29Å; I50-F101 HydrophobicContact CD1-CE1 4.16Å; I50-F101 HydrophobicContact CG1-CD1 3.88Å; I50-F101 HydrophobicContact CG1-CE1 4.13Å; I50-F101 HydrophobicContact CG2-CD1 4.12Å; I50-F101 HydrophobicContact CG2-CE1 3.85Å; I50-F101 HydrophobicContact CG2-CZ 4.34Å; T93-F101 WeakPolarHBondContact CA-O 3.44Å; Y94-F101 HydrophobicContact CD2-CB 4.37Å; Y94-F101 PolarHBondContact N-O 2.82Å; Y94-F101 PolarHBondContact O-N 2.8Å; T96-F101 HydrophobicContact CG2-CE2 4.34Å; F99-F101 HydrophobicContact CB-CD2 4.36Å; F99-F101 HydrophobicContact CB-CE2 3.66Å; F99-F101 HydrophobicContact CB-CZ 3.98Å; F99-F101 HydrophobicContact CG-CZ 4.5Å
102L96.4Very high93.9Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-109.5114.4177.8-51.8-176.1000108.4V48 K49 I51 V75 L90 T93 F104V48-L102 CarbonylContact C-O 3.59Å; V48-L102 WeakPolarHBondContact CA-O 3.35Å; K49-L102 HydrophobicContact CB-CB 4.35Å; K49-L102 PolarHBondContact N-O 3.41Å; K49-L102 PolarHBondContact O-N 3.37Å; I51-L102 HydrophobicContact CD1-CD1 4.02Å; V75-L102 HydrophobicContact CG2-CD1 4.16Å; V75-L102 HydrophobicContact CG2-CD2 3.53Å; L90-L102 HydrophobicContact CD1-CB 3.87Å; L90-L102 HydrophobicContact CD1-CD2 4.49Å; T93-L102 HydrophobicContact CG2-CD2 3.8Å; L102-F104 HydrophobicContact CB-CD2 4.34Å; L102-F104 HydrophobicContact CB-CE2 3.44Å; L102-F104 VanDerWaalsContact CB-CE2 3.44Å; L102-F104 HydrophobicContact CB-CZ 3.75Å; L102-F104 HydrophobicContact CD1-CE2 4.48Å; L102-F104 HydrophobicContact CD1-CZ 4.25Å; L102-F104 VanDerWaalsContact O-CD2 3.31Å; L102-F104 WeakPolarHBondContact O-CD2 3.37Å; L102-F104 WeakPolarHBondContact O-CE2 3.27Å
103V97.6Very high93.9Very high0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-95.4127.7-177.4-175.80000109.7F16 Y20 Y46 A47 V48 L90 K91 D92 Y94F16-V103 HydrophobicContact CD2-CG2 4.37Å; F16-V103 HydrophobicContact CE2-CG2 4.1Å; Y20-V103 HydrophobicContact CD1-CG1 4.46Å; Y20-V103 HydrophobicContact CE1-CG1 3.76Å; Y20-V103 HydrophobicContact CE1-CG2 4.44Å; Y20-V103 HydrophobicContact CE2-CG2 4.29Å; Y46-V103 HydrophobicContact CD1-CG1 4.37Å; Y46-V103 HydrophobicContact CG-CG1 3.99Å; A47-V103 CarbonylContact O-C 3.55Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; V48-V103 HydrophobicContact CG2-CG2 4.26Å; L90-V103 CarbonylContact C-O 3.53Å; K91-V103 HydrophobicContact CB-CG1 4.38Å; K91-V103 PolarHBondContact N-O 3.47Å; D92-V103 HydrophobicContact CB-CB 3.89Å; D92-V103 HydrophobicContact CB-CG2 4.02Å; D92-V103 PolarHBondContact N-O 3.02Å; D92-V103 PolarHBondContact O-N 3.36Å; Y94-V103 HydrophobicContact CE2-CG2 4.47Å
104F97.5Very high93.8Very high15 Ų1549 Ų497%0.06624%0.239CC..EExtended strand (participates in β ladder)trans-127161.1-175.8-61.4-81000112.1Y46 A47 K49 L78 I88 Q89 L90 L102 L106Y46-F104 WeakPolarHBondContact CA-O 3.31Å; Y46-F104 WeakPolarHBondContact CB-O 3.42Å; Y46-F104 WeakPolarHBondContact CD1-O 3.25Å; A47-F104 PolarHBondContact N-O 3.1Å; A47-F104 PolarHBondContact O-N 2.94Å; K49-F104 HydrophobicContact CB-CD2 4.43Å; K49-F104 HydrophobicContact CB-CE2 3.9Å; K49-F104 HydrophobicContact CD-CE2 4.49Å; L78-F104 HydrophobicContact CD1-CE1 3.78Å; L78-F104 HydrophobicContact CD1-CZ 3.83Å; L78-F104 HydrophobicContact CD2-CE1 4.25Å; I88-F104 HydrophobicContact CD1-CB 4.38Å; I88-F104 HydrophobicContact CG1-CB 3.94Å; I88-F104 HydrophobicContact CG1-CD1 3.81Å; I88-F104 HydrophobicContact CG1-CG 4.14Å; I88-F104 HydrophobicContact CG2-CD1 4.1Å; I88-F104 HydrophobicContact CG2-CE1 4.2Å; Q89-F104 VanDerWaalsContact O-CA 3.31Å; Q89-F104 WeakPolarHBondContact O-CA 3.36Å; L90-F104 HydrophobicContact CB-CD1 4.25Å; L90-F104 HydrophobicContact CB-CE1 3.96Å; L90-F104 HydrophobicContact CD1-CD1 4.13Å; L90-F104 HydrophobicContact CD1-CE1 3.62Å; L90-F104 HydrophobicContact CD1-CE2 4.38Å; L90-F104 HydrophobicContact CD1-CZ 3.76Å; L90-F104 HydrophobicContact CG-CE1 4.39Å; L102-F104 HydrophobicContact CB-CD2 4.34Å; L102-F104 HydrophobicContact CB-CE2 3.44Å; L102-F104 VanDerWaalsContact CB-CE2 3.44Å; L102-F104 HydrophobicContact CB-CZ 3.75Å; L102-F104 HydrophobicContact CD1-CE2 4.48Å; L102-F104 HydrophobicContact CD1-CZ 4.25Å; L102-F104 VanDerWaalsContact O-CD2 3.31Å; L102-F104 WeakPolarHBondContact O-CD2 3.37Å; L102-F104 WeakPolarHBondContact O-CE2 3.27Å; F104-L106 PolarHBondContact O-N 3.29Å
105D95.2Very high93.8Very high42 Ų4249.6 Ų49.623%0.22524%0.241CC..EExtended strand (participates in β ladder)trans-54.3136.4164.7-75.8-39.7000111.1I88 Q89 K91 M107I88-D105 HydrophobicContact CD1-CB 4.27Å; Q89-D105 VanDerWaalsContact CB-OD2 3.27Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.32Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.45Å; Q89-D105 PolarHBondContact O-N 3.44Å; K91-D105 WeakPolarHBondContact CE-OD1 3.43Å; K91-D105 WeakPolarHBondContact CE-OD2 3.31Å; K91-D105 IonicContact NZ-OD1 3.13Å; K91-D105 PolarHBondContact NZ-OD1 3.25Å; K91-D105 VanDerWaalsContact NZ-OD1 3.13Å; K91-D105 IonicContact NZ-OD2 2.92Å; K91-D105 PolarHBondContact NZ-OD2 2.69Å; D105-M107 HydrophobicContact CB-CE 3.4Å
106L95.9Very high93.9Very high33 Ų3346.7 Ų46.717%0.17323%0.228CC..  trans-78.6123.6177179.964.5000111L26 R36 E45 A47 F104 K108L26-L106 HydrophobicContact CD1-CD1 3.59Å; R36-L106 HydrophobicContact CG-CD1 4.44Å; R36-L106 HydrophobicContact CG-CD2 4.05Å; E45-L106 HydrophobicContact CB-CD2 3.83Å; A47-L106 HydrophobicContact CB-CD1 4.16Å; F104-L106 PolarHBondContact O-N 3.29Å; L106-K108 HydrophobicContact CD2-CG 4.16Å; L106-K108 HydrophobicContact CG-CG 4.2Å
107M95.9Very high93.9Very high25 Ų2550.2 Ų50.212%0.12325%0.25CC..  trans-99.895.4176.1-62.1-59.6127.800110.6I88 D105 R109 G110 L157 D159 K165I88-M107 HydrophobicContact CD1-CE 3.71Å; I88-M107 HydrophobicContact CD1-CG 3.93Å; I88-M107 HydrophobicContact CD1-SD 4.46Å; D105-M107 HydrophobicContact CB-CE 3.4Å; M107-R109 VanDerWaalsContact C-N 3.29Å; M107-R109 PolarHBondContact O-N 3.3Å; M107-G110 PolarHBondContact O-N 2.83Å; M107-L157 HydrophobicContact CB-CB 3.75Å; M107-L157 HydrophobicContact CB-CD1 3.95Å; M107-L157 HydrophobicContact CB-CG 4.37Å; M107-L157 HydrophobicContact CG-CB 3.63Å; M107-L157 HydrophobicContact CG-CD1 3.68Å; M107-L157 HydrophobicContact CG-CG 4.3Å; M107-D159 HydrophobicContact SD-CB 4.05Å; M107-K165 HydrophobicContact CE-CG 4.08Å; M107-K165 HydrophobicContact SD-CB 4.23Å; M107-K165 HydrophobicContact SD-CG 3.59Å; M107-K165 VanDerWaalsContact SD-CG 3.59Å
108K91.2Very high94.1Very high123 Ų12351.2 Ų51.254%0.53525%0.25SC..THydrogen-bonded Turntrans-70-21.5-170.9-67-178.3175.6-174.40114.5E45 L106 G110E45-K108 WeakPolarHBondContact OE2-CE 3.3Å; E45-K108 IonicContact OE2-NZ 2.65Å; E45-K108 PolarHBondContact OE2-NZ 2.94Å; L106-K108 HydrophobicContact CD2-CG 4.16Å; L106-K108 HydrophobicContact CG-CG 4.2Å; K108-G110 VanDerWaalsContact C-N 3.3Å
109R93.9Very high94.1Very high148 Ų14853.2 Ų53.256%0.55825%0.254SS*.THydrogen-bonded Turntrans-87.20.5176.9-61.2-68.4-173.3-178.5-2.3113M107 L158 D159 M162M107-R109 VanDerWaalsContact C-N 3.29Å; M107-R109 PolarHBondContact O-N 3.3Å; R109-L158 HydrophobicContact CB-CB 3.56Å; R109-L158 WeakPolarHBondContact CB-O 3.21Å; R109-L158 HydrophobicContact CG-CB 4.48Å; R109-L158 PolarHBondContact N-O 3.29Å; R109-D159 WeakPolarHBondContact CG-O 3.33Å; R109-M162 HydrophobicContact CG-SD 4.21Å
110G94.6Very high94Very high25 Ų2554.5 Ų54.526%0.25827%0.267SS..  trans69.2-148.1175.100000113.2M107 K108 L157 L158M107-G110 PolarHBondContact O-N 2.83Å; K108-G110 VanDerWaalsContact C-N 3.3Å; G110-L157 CarbonylContact O-C 3.42Å; G110-L157 WeakPolarHBondContact O-CA 3.47Å; G110-L158 PolarHBondContact O-N 2.8Å
111E95.9Very high93.8Very high68 Ų6857 Ų5732%0.31828%0.283SS..BIsolated β-bridgetrans-85.5147.8-174.5-60176.8-163.600112.1F113 D114 Y115 E154 L157E111-F113 HydrophobicContact CB-CB 4.43Å; E111-F113 PolarHBondContact O-N 2.82Å; E111-D114 PolarHBondContact O-N 2.94Å; E111-Y115 PolarHBondContact O-N 3.1Å; E111-E154 WeakPolarHBondContact OE2-CA 3.36Å; E111-L157 HydrophobicContact CG-CD2 3.84Å
112L97.1Very high93.6Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-63.8-28.3172.7176.962.5000111.3Y115 L116 I130 P153 I156 L158 L223L112-Y115 HydrophobicContact CD1-CD1 4.08Å; L112-Y115 PolarHBondContact O-N 3.38Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 PolarHBondContact O-N 3.47Å; L112-I130 HydrophobicContact CD1-CD1 3.93Å; L112-I130 HydrophobicContact CD2-CG2 3.96Å; L112-P153 HydrophobicContact CB-CB 4.49Å; L112-P153 WeakPolarHBondContact CB-O 3.41Å; L112-P153 HydrophobicContact CG-CB 4.44Å; L112-P153 PolarHBondContact N-O 2.87Å; L112-I156 HydrophobicContact CB-CB 4.02Å; L112-I156 HydrophobicContact CB-CG2 4.11Å; L112-I156 VanDerWaalsContact CB-O 3.22Å; L112-I156 WeakPolarHBondContact CB-O 3.32Å; L112-I156 HydrophobicContact CD2-CB 4.06Å; L112-I156 HydrophobicContact CD2-CD1 4.08Å; L112-I156 HydrophobicContact CD2-CG2 3.85Å; L112-I156 PolarHBondContact N-O 2.97Å; L112-L158 HydrophobicContact CD1-CD1 4.34Å; L112-L158 HydrophobicContact CD1-CD2 4.47Å; L112-L223 HydrophobicContact CD1-CD2 4.22Å; L112-L223 HydrophobicContact CD2-CD1 4.39Å; L112-L223 HydrophobicContact CD2-CD2 3.98Å; L112-L223 HydrophobicContact CG-CD2 4.06Å
113F94.6Very high93.5Very high81 Ų8159.4 Ų59.436%0.35530%0.3SS..Hα-helixtrans-59.9-48.3173.3-177-96.7000112.5E111 Y115 L116 T117 P153 E154E111-F113 HydrophobicContact CB-CB 4.43Å; E111-F113 PolarHBondContact O-N 2.82Å; F113-Y115 VanDerWaalsContact C-N 3.34Å; F113-Y115 PolarHBondContact O-N 3.27Å; F113-L116 PolarHBondContact O-N 3.33Å; F113-T117 WeakPolarHBondContact O-CB 3.43Å; F113-T117 PolarHBondContact O-N 2.94Å; F113-T117 PolarHBondContact O-OG1 3.47Å; F113-P153 HydrophobicContact CB-CB 3.95Å; F113-P153 HydrophobicContact CD2-CB 4.4Å; F113-P153 PolarHBondContact N-O 2.86Å; F113-E154 HydrophobicContact CB-CG 3.91Å; F113-E154 HydrophobicContact CD2-CG 4.31Å; F113-E154 HydrophobicContact CG-CG 4.01Å
114D93.1Very high93.3Very high92 Ų9261.2 Ų61.249%0.49231%0.309SS..Hα-helixtrans-64.4-41.7177.8-70.3-29.2000110.9E111 L116 T117 E118E111-D114 PolarHBondContact O-N 2.94Å; D114-L116 PolarHBondContact O-N 2.94Å; D114-T117 WeakPolarHBondContact O-CB 3.15Å; D114-T117 PolarHBondContact O-N 3.24Å; D114-E118 PolarHBondContact O-N 2.86Å
115Y94.8Very high93.1Very high36 Ų3667.2 Ų67.214%0.14134%0.335CS..Hα-helixtrans-61.1-43.5175.3-179-109.2000112.5E111 L112 F113 T117 E118 K119 L122 E126 L158 M162E111-Y115 PolarHBondContact O-N 3.1Å; L112-Y115 HydrophobicContact CD1-CD1 4.08Å; L112-Y115 PolarHBondContact O-N 3.38Å; F113-Y115 VanDerWaalsContact C-N 3.34Å; F113-Y115 PolarHBondContact O-N 3.27Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-E118 PolarHBondContact O-N 3.5Å; Y115-K119 HydrophobicContact CD2-CG 4.33Å; Y115-K119 HydrophobicContact CE1-CG 4.13Å; Y115-K119 HydrophobicContact CE2-CD 4.39Å; Y115-K119 HydrophobicContact CE2-CG 3.89Å; Y115-K119 WeakPolarHBondContact O-CB 3.3Å; Y115-K119 WeakPolarHBondContact O-CG 3.32Å; Y115-K119 PolarHBondContact O-N 2.85Å; Y115-K119 WeakPolarHBondContact OH-CE 3.45Å; Y115-L122 HydrophobicContact CD1-CD2 4.13Å; Y115-L122 HydrophobicContact CE1-CD1 4.33Å; Y115-L122 HydrophobicContact CE1-CD2 3.61Å; Y115-E126 PolarHBondContact OH-OE1 3.36Å; Y115-L158 HydrophobicContact CD1-CD1 4.12Å; Y115-L158 HydrophobicContact CD2-CD1 4.39Å; Y115-L158 HydrophobicContact CG-CD1 3.77Å; Y115-M162 HydrophobicContact CD1-CE 4.12Å; Y115-M162 HydrophobicContact CD2-CE 3.67Å; Y115-M162 HydrophobicContact CE1-CE 3.79Å; Y115-M162 HydrophobicContact CE2-CE 3.3Å; Y115-M162 HydrophobicContact CG-CE 4.06Å
116L92.9Very high93.1Very high8 Ų868.6 Ų68.64%0.04234%0.34CS..Hα-helixtrans-62.9-42.3174.1177.765.7000111L112 F113 D114 E118 K119 V120 L122 T222 L223L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 PolarHBondContact O-N 3.47Å; F113-L116 PolarHBondContact O-N 3.33Å; D114-L116 PolarHBondContact O-N 2.94Å; L116-E118 VanDerWaalsContact C-N 3.3Å; L116-E118 PolarHBondContact O-N 2.83Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 PolarHBondContact O-N 2.87Å; L116-V120 VanDerWaalsContact O-CA 3.31Å; L116-V120 WeakPolarHBondContact O-CA 3.48Å; L116-V120 PolarHBondContact O-N 3.37Å; L116-L122 HydrophobicContact CD1-CG 4.13Å; L116-T222 HydrophobicContact CD2-CG2 3.8Å; L116-L223 HydrophobicContact CD1-CD2 4.42Å; L116-L223 HydrophobicContact CD2-CD2 4.28Å
117T88.9Confident93.1Very high88 Ų8867 Ų6754%0.5433%0.332SS..Hα-helixtrans-61.5-40.1179.1-61.20000111.4F113 D114 Y115F113-T117 WeakPolarHBondContact O-CB 3.43Å; F113-T117 PolarHBondContact O-N 2.94Å; F113-T117 PolarHBondContact O-OG1 3.47Å; D114-T117 WeakPolarHBondContact O-CB 3.15Å; D114-T117 PolarHBondContact O-N 3.24Å; Y115-T117 VanDerWaalsContact C-N 3.34Å
118E90.6Very high93.2Very high153 Ų15368.8 Ų68.872%0.71534%0.337SS*.Hα-helixtrans-65.4-41.7174-169.6-167.7149.500112D114 Y115 L116D114-E118 PolarHBondContact O-N 2.86Å; Y115-E118 PolarHBondContact O-N 3.5Å; L116-E118 VanDerWaalsContact C-N 3.3Å; L116-E118 PolarHBondContact O-N 2.83Å
119K87.9Confident93.4Very high99 Ų9969.9 Ų69.943%0.4334%0.342SS..Hα-helixtrans-85-16.9-176.3-67.2-68.9178.7-179.50114.6Y115 L116 T121 L122Y115-K119 HydrophobicContact CD2-CG 4.33Å; Y115-K119 HydrophobicContact CE1-CG 4.13Å; Y115-K119 HydrophobicContact CE2-CD 4.39Å; Y115-K119 HydrophobicContact CE2-CG 3.89Å; Y115-K119 WeakPolarHBondContact O-CB 3.3Å; Y115-K119 WeakPolarHBondContact O-CG 3.32Å; Y115-K119 PolarHBondContact O-N 2.85Å; Y115-K119 WeakPolarHBondContact OH-CE 3.45Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 PolarHBondContact O-N 2.87Å; K119-T121 PolarHBondContact O-N 2.93Å; K119-L122 HydrophobicContact CB-CD2 3.88Å; K119-L122 HydrophobicContact CG-CD2 4.11Å
120V89.3Confident93.6Very high100 Ų10063.6 Ų63.661%0.60632%0.319SS*.SBendtrans65.1-49.1-169.3-171.90000113.6L116 G226L116-V120 VanDerWaalsContact O-CA 3.31Å; L116-V120 WeakPolarHBondContact O-CA 3.48Å; L116-V120 PolarHBondContact O-N 3.37Å; V120-G226 WeakPolarHBondContact O-CA 3.32Å
121T90.7Very high93.8Very high59 Ų5962.4 Ų62.436%0.36231%0.307SS..SBendtrans-144.9153.8177.456.70000109.9K119 L224K119-T121 PolarHBondContact O-N 2.93Å; T121-L224 WeakPolarHBondContact CG2-O 3.31Å
122L92.7Very high93.9Very high1 Ų163.5 Ų63.51%0.00531%0.308CS..  trans-105.6145.4174.6-58.1-169.5000111.5Y115 L116 K119 E126 I130 L223 Y257Y115-L122 HydrophobicContact CD1-CD2 4.13Å; Y115-L122 HydrophobicContact CE1-CD1 4.33Å; Y115-L122 HydrophobicContact CE1-CD2 3.61Å; L116-L122 HydrophobicContact CD1-CG 4.13Å; K119-L122 HydrophobicContact CB-CD2 3.88Å; K119-L122 HydrophobicContact CG-CD2 4.11Å; L122-E126 HydrophobicContact CB-CB 4.38Å; L122-I130 HydrophobicContact CD1-CD1 3.59Å; L122-L223 HydrophobicContact CD1-CB 4.3Å; L122-L223 HydrophobicContact CD1-CD2 3.87Å; L122-L223 HydrophobicContact CD1-CG 4.45Å; L122-L223 PolarHBondContact N-O 3Å; L122-Y257 PolarHBondContact O-OH 3.35Å
123S93.1Very high94Very high52 Ų5264.2 Ų64.236%0.36431%0.313SS..  trans-66.1153.9172.866.40000111.3K125 E126 T127S123-K125 PolarHBondContact O-N 3.05Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 PolarHBondContact O-N 3.33Å; S123-E126 WeakPolarHBondContact OG-CG 3.3Å; S123-E126 PolarHBondContact OG-N 2.93Å; S123-E126 PolarHBondContact OG-OE2 2.82Å; S123-T127 PolarHBondContact O-N 3.3Å; S123-T127 PolarHBondContact O-OG1 3.34Å
124E94.3Very high94.2Very high37 Ų3760.3 Ų60.317%0.17330%0.297CS..Hα-helixtrans-54.6-31.8174-69.1-165.9-169.800112.8R128 L224 Y257 S258 V261 F287E124-R128 WeakPolarHBondContact O-CB 3.48Å; E124-R128 PolarHBondContact O-N 3.31Å; E124-R128 IonicContact OE2-NH2 3.25Å; E124-L224 HydrophobicContact CG-CD2 4.37Å; E124-Y257 HydrophobicContact CG-CD1 3.66Å; E124-Y257 HydrophobicContact CG-CE1 4.16Å; E124-S258 VanDerWaalsContact OE1-CB 3.32Å; E124-S258 WeakPolarHBondContact OE1-CB 3.49Å; E124-S258 PolarHBondContact OE1-N 2.96Å; E124-S258 PolarHBondContact OE1-OG 3.37Å; E124-S258 PolarHBondContact OE2-OG 2.92Å; E124-V261 HydrophobicContact CG-CG1 4.37Å; E124-V261 WeakPolarHBondContact OE1-CG1 3.39Å; E124-F287 HydrophobicContact CB-CE2 4.4Å
125K93.2Very high94.4Very high142 Ų14256 Ų5662%0.61727%0.273SS*.Hα-helixtrans-65.9-44179-175.5-178.8178.7-178.80111.6S123 K129S123-K125 PolarHBondContact O-N 3.05Å; K125-K129 PolarHBondContact O-N 3.45Å
126E94.5Very high94.6Very high71 Ų7157.6 Ų57.633%0.33228%0.282SS..Hα-helixtrans-70.6-48.2176.8-71.3165.1125.400110.5Y115 L122 S123 R128 K129 I130Y115-E126 PolarHBondContact OH-OE1 3.36Å; L122-E126 HydrophobicContact CB-CB 4.38Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 PolarHBondContact O-N 3.33Å; S123-E126 WeakPolarHBondContact OG-CG 3.3Å; S123-E126 PolarHBondContact OG-N 2.93Å; S123-E126 PolarHBondContact OG-OE2 2.82Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.4Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 3.26Å; E126-I130 PolarHBondContact O-N 3.28Å
127T96.9Very high94.9Very high0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-54.9-43.1175.7-57.40000111.1S123 K129 I130 M131 M220 L223 L224S123-T127 PolarHBondContact O-N 3.3Å; S123-T127 PolarHBondContact O-OG1 3.34Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.77Å; T127-I130 PolarHBondContact O-N 2.85Å; T127-M131 HydrophobicContact CG2-CG 3.74Å; T127-M131 VanDerWaalsContact O-CB 3.27Å; T127-M131 WeakPolarHBondContact O-CB 3.27Å; T127-M131 WeakPolarHBondContact O-CG 3.35Å; T127-M131 PolarHBondContact O-N 2.91Å; T127-M220 HydrophobicContact CG2-CG 4.16Å; T127-L223 HydrophobicContact CG2-CB 4.37Å; T127-L223 HydrophobicContact CG2-CD1 4.4Å; T127-L224 HydrophobicContact CG2-CD1 4.38Å; T127-L224 HydrophobicContact CG2-CD2 4.07Å; T127-L224 HydrophobicContact CG2-CG 4.05Å
128R96.8Very high95.3Very high62 Ų6253 Ų5323%0.23426%0.255CS..Hα-helixtrans-58.6-41176.4-174.8-175.6-64.31016.5113.2E124 E126 R132 F287 F288E124-R128 WeakPolarHBondContact O-CB 3.48Å; E124-R128 PolarHBondContact O-N 3.31Å; E124-R128 IonicContact OE2-NH2 3.25Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.4Å; R128-R132 WeakPolarHBondContact O-CB 3.17Å; R128-R132 PolarHBondContact O-N 2.91Å; R128-F287 HydrophobicContact CB-CE1 3.73Å; R128-F287 HydrophobicContact CB-CE2 4.46Å; R128-F287 HydrophobicContact CB-CZ 3.65Å; R128-F287 VanDerWaalsContact CD-O 3.31Å; R128-F287 WeakPolarHBondContact CD-O 3.22Å; R128-F287 HydrophobicContact CG-CD1 4.34Å; R128-F287 HydrophobicContact CG-CE1 3.95Å; R128-F287 HydrophobicContact CG-CZ 4.22Å; R128-F287 PolarHBondContact NE-O 3.24Å; R128-F288 HydrophobicContact CG-CD1 3.86Å; R128-F288 HydrophobicContact CG-CE1 4.22Å; R128-F288 WeakPolarHBondContact O-CE1 3.27Å
129K96.2Very high95.7Very high146 Ų14646.5 Ų46.564%0.63523%0.226SC*.Hα-helixtrans-67.3-47.6178.5-70.2-179.8177.4-171.60111.2K125 E126 T127 A133K125-K129 PolarHBondContact O-N 3.45Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 3.26Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.77Å; K129-A133 PolarHBondContact O-N 2.94Å
130I98Very high96.2Very high15 Ų1543.3 Ų43.38%0.07722%0.217CC..Hα-helixtrans-61.8-52179.7-69.8166.7000110.3L112 L122 E126 T127 R132 A133 L134 I164 L223L112-I130 HydrophobicContact CD1-CD1 3.93Å; L112-I130 HydrophobicContact CD2-CG2 3.96Å; L122-I130 HydrophobicContact CD1-CD1 3.59Å; E126-I130 PolarHBondContact O-N 3.28Å; T127-I130 PolarHBondContact O-N 2.85Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 3.09Å; I130-A133 PolarHBondContact O-N 3.48Å; I130-L134 WeakPolarHBondContact O-CB 3.17Å; I130-L134 PolarHBondContact O-N 3.49Å; I130-I164 HydrophobicContact CB-CG2 4.36Å; I130-I164 HydrophobicContact CG1-CG2 4.05Å; I130-I164 HydrophobicContact CG2-CG2 4Å; I130-I164 WeakPolarHBondContact O-CD1 3.32Å; I130-L223 HydrophobicContact CG2-CD1 3.9Å
131M98.5Very high96.6Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-65.8-34.4-177.1-65.2-52.7-56.200112.5T127 L134 L135 T216 I219 M220 L223 F288T127-M131 HydrophobicContact CG2-CG 3.74Å; T127-M131 VanDerWaalsContact O-CB 3.27Å; T127-M131 WeakPolarHBondContact O-CB 3.27Å; T127-M131 WeakPolarHBondContact O-CG 3.35Å; T127-M131 PolarHBondContact O-N 2.91Å; M131-L134 HydrophobicContact CE-CD2 4.13Å; M131-L134 PolarHBondContact O-N 2.95Å; M131-L134 HydrophobicContact SD-CD2 4.34Å; M131-L135 WeakPolarHBondContact O-CB 3.31Å; M131-L135 WeakPolarHBondContact O-CD1 3.43Å; M131-L135 WeakPolarHBondContact O-CG 3.42Å; M131-L135 PolarHBondContact O-N 2.94Å; M131-T216 HydrophobicContact CE-CG2 3.3Å; M131-I219 HydrophobicContact SD-CG2 4.19Å; M131-M220 HydrophobicContact CE-CB 3.71Å; M131-M220 HydrophobicContact CE-CG 4.26Å; M131-M220 HydrophobicContact CE-SD 4.21Å; M131-M220 HydrophobicContact CG-CB 4.3Å; M131-M220 HydrophobicContact CG-CG 3.99Å; M131-M220 HydrophobicContact CG-SD 4.04Å; M131-M220 HydrophobicContact SD-CB 3.84Å; M131-M220 HydrophobicContact SD-CG 4.2Å; M131-L223 HydrophobicContact SD-CD1 4.06Å; M131-F288 HydrophobicContact CB-CE1 4.01Å; M131-F288 HydrophobicContact CB-CZ 3.84Å
132R98.2Very high96.9Very high92 Ų9236.9 Ų36.935%0.34718%0.177SC..Hα-helixtrans-60.6-53174.2174.1179.3-76.9-847.4110.8R128 I130 L134 L135 E136 L283 F288R128-R132 WeakPolarHBondContact O-CB 3.17Å; R128-R132 PolarHBondContact O-N 2.91Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 3.09Å; R132-L134 VanDerWaalsContact C-N 3.27Å; R132-L134 PolarHBondContact O-N 3.49Å; R132-L135 PolarHBondContact O-N 3.48Å; R132-E136 VanDerWaalsContact CG-OE1 3.23Å; R132-E136 WeakPolarHBondContact CG-OE1 3.42Å; R132-E136 IonicContact NH1-OE1 3.71Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.87Å; R132-L283 HydrophobicContact CG-CD2 4.25Å; R132-F288 HydrophobicContact CB-CD1 3.85Å; R132-F288 HydrophobicContact CB-CE1 3.81Å; R132-F288 PolarHBondContact NH2-O 3.08Å
133A98.2Very high97.1Very high14 Ų1443.1 Ų43.112%0.11620%0.204CC..Hα-helixtrans-60.9-38.617900000111.7K129 I130 E136 V137 I164K129-A133 PolarHBondContact O-N 2.94Å; I130-A133 PolarHBondContact O-N 3.48Å; A133-E136 PolarHBondContact O-N 3.31Å; A133-V137 WeakPolarHBondContact O-CG2 3.27Å; A133-V137 PolarHBondContact O-N 3.03Å; A133-V137 VanDerWaalsContact O-N 3.1Å; A133-I164 HydrophobicContact CB-CD1 3.8Å; A133-I164 HydrophobicContact CB-CG1 3.68Å
134L98.8Very high97.3Very high0 Ų044.3 Ų44.30%021%0.206CC..Hα-helixtrans-66.4-45.2178.4-179.860.2000111.3I130 M131 R132 E136 V137 I138 I156 I164 T216 I219I130-L134 WeakPolarHBondContact O-CB 3.17Å; I130-L134 PolarHBondContact O-N 3.49Å; M131-L134 HydrophobicContact CE-CD2 4.13Å; M131-L134 PolarHBondContact O-N 2.95Å; M131-L134 HydrophobicContact SD-CD2 4.34Å; R132-L134 VanDerWaalsContact C-N 3.27Å; R132-L134 PolarHBondContact O-N 3.49Å; L134-E136 VanDerWaalsContact C-N 3.33Å; L134-E136 PolarHBondContact O-N 3.09Å; L134-V137 WeakPolarHBondContact O-CB 3.47Å; L134-V137 PolarHBondContact O-N 3.23Å; L134-I138 HydrophobicContact CD1-CD1 4.18Å; L134-I138 HydrophobicContact CD1-CG1 4.45Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.9Å; L134-I156 HydrophobicContact CD1-CD1 4.15Å; L134-I156 HydrophobicContact CD2-CD1 3.96Å; L134-I164 HydrophobicContact CB-CD1 3.73Å; L134-T216 HydrophobicContact CD2-CG2 4.31Å; L134-I219 HydrophobicContact CD2-CD1 4.16Å; L134-I219 HydrophobicContact CD2-CG2 4.4Å
135L98.7Very high97.5Very high0 Ų045.4 Ų45.40%021%0.213CC..Hα-helixtrans-66.5-34.2177.6-71.9166.7000112.4M131 R132 V137 I138 C139 M213 T216 F268 A279 A282 L283 F288M131-L135 WeakPolarHBondContact O-CB 3.31Å; M131-L135 WeakPolarHBondContact O-CD1 3.43Å; M131-L135 WeakPolarHBondContact O-CG 3.42Å; M131-L135 PolarHBondContact O-N 2.94Å; R132-L135 PolarHBondContact O-N 3.48Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-I138 PolarHBondContact O-N 3.21Å; L135-C139 WeakPolarHBondContact O-CB 3.4Å; L135-C139 PolarHBondContact O-N 3.41Å; L135-M213 HydrophobicContact CD2-CE 3.75Å; L135-T216 HydrophobicContact CD2-CG2 3.91Å; L135-T216 HydrophobicContact CG-CG2 4.47Å; L135-F268 HydrophobicContact CD1-CZ 4.14Å; L135-F268 HydrophobicContact CD2-CE1 4.03Å; L135-F268 HydrophobicContact CD2-CZ 3.92Å; L135-A279 HydrophobicContact CD2-CB 4.36Å; L135-A282 HydrophobicContact CD1-CB 3.93Å; L135-A282 HydrophobicContact CD2-CB 3.95Å; L135-L283 HydrophobicContact CB-CD1 4.24Å; L135-L283 HydrophobicContact CB-CD2 3.74Å; L135-L283 HydrophobicContact CB-CG 3.77Å; L135-L283 HydrophobicContact CD1-CD2 4.35Å; L135-L283 HydrophobicContact CD1-CG 4.45Å; L135-F288 HydrophobicContact CD1-CD2 4.46Å; L135-F288 HydrophobicContact CD1-CE1 4.47Å; L135-F288 HydrophobicContact CD1-CE2 3.39Å; L135-F288 HydrophobicContact CD1-CZ 3.4Å
136E98.4Very high97.7Very high71 Ų7138.6 Ų38.633%0.33218%0.183SC..Hα-helixtrans-62.1-42.9172.7-75.5165.3-17500111R132 A133 L134 A140 L283R132-E136 VanDerWaalsContact CG-OE1 3.23Å; R132-E136 WeakPolarHBondContact CG-OE1 3.42Å; R132-E136 IonicContact NH1-OE1 3.71Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.87Å; A133-E136 PolarHBondContact O-N 3.31Å; L134-E136 VanDerWaalsContact C-N 3.33Å; L134-E136 PolarHBondContact O-N 3.09Å; E136-A140 PolarHBondContact O-N 3.43Å; E136-L283 HydrophobicContact CG-CD1 4.07Å; E136-L283 HydrophobicContact CG-CD2 4.04Å
137V98.4Very high97.9Very high0 Ų035.2 Ų35.20%017%0.167CC..Hα-helixtrans-59.8-52.1171.91720000111.2H84 N86 I87 A133 L134 L135 C139 A140 L141 L166H84-V137 VanDerWaalsContact CE1-CG2 3.47Å; H84-V137 WeakPolarHBondContact CE1-CG2 3.34Å; N86-V137 HydrophobicContact CB-CG2 3.39Å; N86-V137 WeakPolarHBondContact O-CG2 3.36Å; I87-V137 HydrophobicContact CD1-CG1 3.87Å; I87-V137 HydrophobicContact CG1-CB 4.45Å; I87-V137 HydrophobicContact CG1-CG1 3.65Å; I87-V137 HydrophobicContact CG1-CG2 4.01Å; A133-V137 WeakPolarHBondContact O-CG2 3.27Å; A133-V137 PolarHBondContact O-N 3.03Å; A133-V137 VanDerWaalsContact O-N 3.1Å; L134-V137 WeakPolarHBondContact O-CB 3.47Å; L134-V137 PolarHBondContact O-N 3.23Å; L135-V137 VanDerWaalsContact C-N 3.35Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.36Å; V137-A140 WeakPolarHBondContact O-CB 3.32Å; V137-A140 PolarHBondContact O-N 3.2Å; V137-A140 VanDerWaalsContact O-N 3.07Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.01Å; V137-L166 HydrophobicContact CG1-CB 4.12Å; V137-L166 HydrophobicContact CG1-CD2 3.46Å; V137-L166 VanDerWaalsContact CG1-CD2 3.46Å; V137-L166 HydrophobicContact CG1-CG 4.44Å
138I98.6Very high98Very high0 Ų035.2 Ų35.20%017%0.167CC..Hα-helixtrans-61.4-42.1-177.4-66.3165.3000110.7L134 L135 A140 L141 H142 L151 D212 M213 T216 A279L134-I138 HydrophobicContact CD1-CD1 4.18Å; L134-I138 HydrophobicContact CD1-CG1 4.45Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.9Å; L135-I138 PolarHBondContact O-N 3.21Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.33Å; I138-L141 PolarHBondContact O-N 2.91Å; I138-H142 WeakPolarHBondContact CG2-CE1 3.17Å; I138-H142 VanDerWaalsContact O-CB 3.31Å; I138-H142 WeakPolarHBondContact O-CB 3.47Å; I138-H142 PolarHBondContact O-CD2 3.27Å; I138-H142 VanDerWaalsContact O-CG 3.27Å; I138-H142 PolarHBondContact O-N 2.74Å; I138-L151 HydrophobicContact CD1-CD1 3.7Å; I138-L151 HydrophobicContact CG1-CD1 4.07Å; I138-D212 HydrophobicContact CG2-CB 4.41Å; I138-M213 HydrophobicContact CG2-SD 3.79Å; I138-T216 HydrophobicContact CD1-CG2 4.25Å; I138-T216 WeakPolarHBondContact CD1-OG1 3.46Å; I138-A279 HydrophobicContact CB-CB 4.33Å; I138-A279 HydrophobicContact CG2-CB 3.99Å
139C98.2Very high98Very high16 Ų1633.2 Ų33.211%0.10816%0.16CC..Hα-helixtrans-57.3-44.3174.3-178.20000111.5L135 V137 K143 A279 E280 L283L135-C139 WeakPolarHBondContact O-CB 3.4Å; L135-C139 PolarHBondContact O-N 3.41Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.36Å; C139-K143 WeakPolarHBondContact O-CB 3.4Å; C139-K143 VanDerWaalsContact O-CG 3.3Å; C139-K143 WeakPolarHBondContact O-CG 3.48Å; C139-K143 PolarHBondContact O-N 3.32Å; C139-K143 VanDerWaalsContact O-N 3.09Å; C139-K143 PolarHBondContact SG-NZ 2.9Å; C139-K143 VanDerWaalsContact SG-NZ 3.35Å; C139-A279 HydrophobicContact CB-CB 3.92Å; C139-E280 VanDerWaalsContact SG-CG 3.55Å; C139-L283 HydrophobicContact CB-CD1 4.37Å
140A98.3Very high98Very high31 Ų3126.4 Ų26.426%0.25613%0.13SC..Hα-helixtrans-64.8-43.3176.800000112.5E136 V137 I138 K143 L144E136-A140 PolarHBondContact O-N 3.43Å; V137-A140 WeakPolarHBondContact O-CB 3.32Å; V137-A140 PolarHBondContact O-N 3.2Å; V137-A140 VanDerWaalsContact O-N 3.07Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.33Å; A140-K143 PolarHBondContact O-N 3.23Å; A140-L144 PolarHBondContact O-N 2.85Å
141L98.3Very high98.1Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-61.4-49.1175.8-64.7-179000111.4V81 I87 V137 I138 K143 L144 D145 I146 H148 L166 F169V81-L141 HydrophobicContact CB-CD2 4.32Å; V81-L141 HydrophobicContact CG1-CD2 3.52Å; I87-L141 HydrophobicContact CD1-CD2 4.16Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.01Å; I138-L141 PolarHBondContact O-N 2.91Å; L141-K143 VanDerWaalsContact C-N 3.25Å; L141-K143 PolarHBondContact O-N 3.28Å; L141-L144 CarbonylContact O-C 3.59Å; L141-L144 WeakPolarHBondContact O-CA 3.42Å; L141-L144 PolarHBondContact O-N 2.77Å; L141-D145 PolarHBondContact O-N 2.87Å; L141-I146 CarbonylContact C-O 3.49Å; L141-I146 HydrophobicContact CB-CB 4.25Å; L141-I146 HydrophobicContact CB-CG2 4.49Å; L141-I146 HydrophobicContact CD2-CB 4.43Å; L141-I146 HydrophobicContact CD2-CG2 4.18Å; L141-I146 PolarHBondContact O-N 3.16Å; L141-H148 HydrophobicContact CD1-CB 4.44Å; L141-L166 HydrophobicContact CD1-CD2 4.08Å; L141-F169 HydrophobicContact CD1-CE1 3.96Å; L141-F169 HydrophobicContact CD1-CZ 4.49Å; L141-F169 HydrophobicContact CD2-CE1 3.84Å; L141-F169 HydrophobicContact CD2-CZ 4.46Å
142H97.8Very high98Very high24 Ų2427.1 Ų27.111%0.11113%0.133CC..Hα-helixtrans-66.7-26.2-176.4-72.7-169.6000113I138 L144 D145 I146 K209 D212I138-H142 WeakPolarHBondContact CG2-CE1 3.17Å; I138-H142 VanDerWaalsContact O-CB 3.31Å; I138-H142 WeakPolarHBondContact O-CB 3.47Å; I138-H142 PolarHBondContact O-CD2 3.27Å; I138-H142 VanDerWaalsContact O-CG 3.27Å; I138-H142 PolarHBondContact O-N 2.74Å; H142-L144 VanDerWaalsContact C-N 3.32Å; H142-D145 PolarHBondContact O-N 3.35Å; H142-I146 PolarHBondContact CD2-O 2.88Å; H142-K209 HydrophobicContact CB-CD 3.93Å; H142-K209 PolarHBondContact CE1-O 3.02Å; H142-K209 PolarHBondContact NE2-O 3.06Å; H142-K209 PolarHBondContact O-NZ 2.93Å; H142-D212 IonicContact CD2-OD2 3.42Å; H142-D212 IonicContact CE1-OD2 2.72Å; H142-D212 IonicContact NE2-OD2 3.84Å; H142-D212 PolarHBondContact NE2-OD2 3.06Å
143K96.9Very high98Very high132 Ų13222.7 Ų22.757%0.57412%0.116SC*.Hα-helixtrans-70.4-26.4170.9-80.7172.9176.7164.60113.7C139 A140 L141 D145 E280C139-K143 WeakPolarHBondContact O-CB 3.4Å; C139-K143 VanDerWaalsContact O-CG 3.3Å; C139-K143 WeakPolarHBondContact O-CG 3.48Å; C139-K143 PolarHBondContact O-N 3.32Å; C139-K143 VanDerWaalsContact O-N 3.09Å; C139-K143 PolarHBondContact SG-NZ 2.9Å; C139-K143 VanDerWaalsContact SG-NZ 3.35Å; A140-K143 PolarHBondContact O-N 3.23Å; L141-K143 VanDerWaalsContact C-N 3.25Å; L141-K143 PolarHBondContact O-N 3.28Å; K143-D145 VanDerWaalsContact C-N 3.27Å; K143-E280 WeakPolarHBondContact CE-OE1 3.36Å; K143-E280 IonicContact NZ-OE1 3.33Å; K143-E280 PolarHBondContact NZ-OE1 3.04Å
144L97.1Very high97.8Very high78 Ų7824.4 Ų24.441%0.40812%0.122SC..THydrogen-bonded Turntrans-91.68.1173.1-63.7173.8000112.1V81 A140 L141 H142 I146 Q174V81-L144 HydrophobicContact CG1-CD1 4.24Å; A140-L144 PolarHBondContact O-N 2.85Å; L141-L144 CarbonylContact O-C 3.59Å; L141-L144 WeakPolarHBondContact O-CA 3.42Å; L141-L144 PolarHBondContact O-N 2.77Å; H142-L144 VanDerWaalsContact C-N 3.32Å; L144-I146 HydrophobicContact CB-CD1 3.82Å; L144-I146 HydrophobicContact CB-CG1 4.03Å; L144-I146 HydrophobicContact CD1-CD1 4.2Å; L144-I146 PolarHBondContact O-N 2.81Å; L144-Q174 PolarHBondContact O-NE2 3.34Å
145D97.6Very high97.8Very high59 Ų5925 Ų2532%0.31613%0.125SC..THydrogen-bonded Turntrans57.528.3-172.5-63.6-56.2000113.7L141 H142 K143 Q174 L175 K209L141-D145 PolarHBondContact O-N 2.87Å; H142-D145 PolarHBondContact O-N 3.35Å; K143-D145 VanDerWaalsContact C-N 3.27Å; D145-Q174 CarbonylContact O-C 3.54Å; D145-Q174 WeakPolarHBondContact O-CA 3.31Å; D145-L175 HydrophobicContact CB-CB 4.47Å; D145-L175 WeakPolarHBondContact CB-O 3.3Å; D145-L175 PolarHBondContact O-N 3.23Å; D145-K209 IonicContact OD1-NZ 2.88Å; D145-K209 PolarHBondContact OD1-NZ 3.1Å
146I98.2Very high97.8Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-93.6131.9176-61168.8000109.3I77 V81 L141 H142 L144 C173 Q174I77-I146 HydrophobicContact CG2-CD1 4.33Å; I77-I146 HydrophobicContact CG2-CG2 4.08Å; V81-I146 HydrophobicContact CG1-CD1 3.84Å; L141-I146 CarbonylContact C-O 3.49Å; L141-I146 HydrophobicContact CB-CB 4.25Å; L141-I146 HydrophobicContact CB-CG2 4.49Å; L141-I146 HydrophobicContact CD2-CB 4.43Å; L141-I146 HydrophobicContact CD2-CG2 4.18Å; L141-I146 PolarHBondContact O-N 3.16Å; H142-I146 PolarHBondContact CD2-O 2.88Å; L144-I146 HydrophobicContact CB-CD1 3.82Å; L144-I146 HydrophobicContact CB-CG1 4.03Å; L144-I146 HydrophobicContact CD1-CD1 4.2Å; L144-I146 PolarHBondContact O-N 2.81Å; I146-C173 WeakPolarHBondContact CA-O 3.45Å; I146-Q174 HydrophobicContact CG1-CB 4.22Å; I146-Q174 HydrophobicContact CG1-CG 4.16Å
147V97.9Very high97.7Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-111.8134.2172.3-170.90000109R149 S172 C173 L175 K209 V211 D212V147-R149 HydrophobicContact CB-CG 4.17Å; V147-R149 HydrophobicContact CG1-CG 3.6Å; V147-S172 WeakPolarHBondContact O-CA 3.42Å; V147-S172 WeakPolarHBondContact O-CB 3.38Å; V147-C173 PolarHBondContact N-O 2.79Å; V147-C173 PolarHBondContact O-N 3.44Å; V147-C173 VanDerWaalsContact O-N 3.09Å; V147-L175 HydrophobicContact CG2-CD1 3.57Å; V147-L175 HydrophobicContact CG2-CG 3.98Å; V147-K209 HydrophobicContact CG2-CB 4.08Å; V147-K209 HydrophobicContact CG2-CG 3.66Å; V147-V211 HydrophobicContact CG1-CG2 3.74Å; V147-D212 WeakPolarHBondContact CG1-OD2 3.23Å
148H98.3Very high97.7Very high0 Ų023.2 Ų23.20%012%0.117CC..  trans-79.6-43.8-177-170.6-82.3000112.9L141 D150 L151 T167 D168 F169 F171 S172 D212L141-H148 HydrophobicContact CD1-CB 4.44Å; H148-D150 PolarHBondContact CE1-O 3.25Å; H148-D150 VanDerWaalsContact ND1-C 3.32Å; H148-D150 PolarHBondContact ND1-N 2.8Å; H148-D150 PolarHBondContact ND1-O 3.07Å; H148-D150 PolarHBondContact O-N 3.47Å; H148-L151 HydrophobicContact CB-CD2 3.92Å; H148-L151 HydrophobicContact CB-CG 3.98Å; H148-L151 PolarHBondContact ND1-N 3.43Å; H148-T167 PolarHBondContact NE2-O 2.9Å; H148-D168 PolarHBondContact CE1-O 3.48Å; H148-D168 PolarHBondContact NE2-O 2.97Å; H148-F169 AromaticContact CD2-CD1 4Å; H148-F169 AromaticContact CD2-CE1 3.91Å; H148-F171 CarbonylContact O-C 3.41Å; H148-S172 WeakPolarHBondContact CA-OG 3.4Å; H148-S172 PolarHBondContact O-OG 3.47Å; H148-D212 PolarHBondContact N-OD1 3.25Å; H148-D212 PolarHBondContact N-OD2 3.22Å
149R97.3Very high97.4Very high20 Ų2024.6 Ų24.68%0.07513%0.125CC..SBendtrans67.6-14.2177.2-55.6-165.8-70166.12.9117.7V147 F171 E183 C185 Y207 D212V147-R149 HydrophobicContact CB-CG 4.17Å; V147-R149 HydrophobicContact CG1-CG 3.6Å; R149-F171 HydrophobicContact CB-CB 4.32Å; R149-F171 PolarHBondContact NE-O 3.11Å; R149-F171 PolarHBondContact NH2-O 3.18Å; R149-E183 IonicContact CZ-OE2 3.51Å; R149-E183 IonicContact NH1-OE2 3.47Å; R149-E183 PolarHBondContact NH1-OE2 3.38Å; R149-E183 IonicContact NH2-OE2 2.74Å; R149-E183 PolarHBondContact NH2-OE2 3.24Å; R149-C185 PolarHBondContact NH1-SG 2.84Å; R149-C185 VanDerWaalsContact NH1-SG 3.44Å; R149-Y207 HydrophobicContact CG-CE2 4.49Å; R149-Y207 PolarHBondContact NH1-OH 2.9Å; R149-D212 PolarHBondContact N-OD1 2.88Å
150D97.1Very high97.1Very high3 Ų328.2 Ų28.22%0.01614%0.143CC..  trans-132.351.2173.9-164.640.7000112.7H148 K152 N155 F171 G186 T187H148-D150 PolarHBondContact CE1-O 3.25Å; H148-D150 VanDerWaalsContact ND1-C 3.32Å; H148-D150 PolarHBondContact ND1-N 2.8Å; H148-D150 PolarHBondContact ND1-O 3.07Å; H148-D150 PolarHBondContact O-N 3.47Å; D150-K152 PolarHBondContact O-N 2.68Å; D150-K152 IonicContact OD1-NZ 3.61Å; D150-K152 IonicContact OD2-NZ 2.69Å; D150-K152 PolarHBondContact OD2-NZ 3.49Å; D150-N155 PolarHBondContact O-ND2 3.36Å; D150-N155 PolarHBondContact OD2-ND2 3.35Å; D150-F171 HydrophobicContact CB-CB 4.34Å; D150-F171 HydrophobicContact CB-CD2 3.69Å; D150-F171 HydrophobicContact CB-CE2 4.49Å; D150-F171 HydrophobicContact CB-CG 4.39Å; D150-G186 VanDerWaalsContact OD1-CA 3.31Å; D150-G186 WeakPolarHBondContact OD1-CA 3.32Å; D150-T187 PolarHBondContact OD1-N 2.58Å; D150-T187 PolarHBondContact OD1-OG1 3.32Å
151L98.5Very high96.8Very high0 Ų032.7 Ų32.70%016%0.163CC..  trans-74.4121.3174.6-67.5177.5000110.7I138 H148 L166 D212 I219I138-L151 HydrophobicContact CD1-CD1 3.7Å; I138-L151 HydrophobicContact CG1-CD1 4.07Å; H148-L151 HydrophobicContact CB-CD2 3.92Å; H148-L151 HydrophobicContact CB-CG 3.98Å; H148-L151 PolarHBondContact ND1-N 3.43Å; L151-L166 HydrophobicContact CD2-CD1 3.54Å; L151-L166 HydrophobicContact CD2-CD2 3.92Å; L151-L166 HydrophobicContact CD2-CG 4.4Å; L151-D212 HydrophobicContact CD1-CB 3.64Å; L151-D212 WeakPolarHBondContact CD1-O 3.21Å; L151-I219 HydrophobicContact CB-CD1 3.98Å
152K97.4Very high96.5Very high29 Ų2936 Ų3613%0.12618%0.179CC..  trans-159.7160177.864.2-168.8-173.3-147.10110.4D150 E154 N155 T187 Y190D150-K152 PolarHBondContact O-N 2.68Å; D150-K152 IonicContact OD1-NZ 3.61Å; D150-K152 IonicContact OD2-NZ 2.69Å; D150-K152 PolarHBondContact OD2-NZ 3.49Å; K152-E154 VanDerWaalsContact CB-OE2 3.28Å; K152-E154 WeakPolarHBondContact CB-OE2 3.49Å; K152-E154 HydrophobicContact CD-CB 4.34Å; K152-E154 HydrophobicContact CG-CB 4.11Å; K152-E154 VanDerWaalsContact CG-OE2 3.24Å; K152-E154 WeakPolarHBondContact CG-OE2 3.32Å; K152-E154 PolarHBondContact O-N 2.81Å; K152-N155 WeakPolarHBondContact CE-ND2 3.46Å; K152-N155 WeakPolarHBondContact CE-OD1 3.11Å; K152-N155 HydrophobicContact CG-CB 4.1Å; K152-N155 PolarHBondContact O-N 3.3Å; K152-T187 HydrophobicContact CD-CG2 4.39Å; K152-T187 VanDerWaalsContact CD-OG1 3.22Å; K152-T187 WeakPolarHBondContact CD-OG1 3.32Å; K152-T187 PolarHBondContact NZ-OG1 3.24Å; K152-Y190 HydrophobicContact CB-CD1 4.19Å; K152-Y190 HydrophobicContact CB-CD2 3.82Å; K152-Y190 HydrophobicContact CB-CE1 4.13Å; K152-Y190 HydrophobicContact CB-CE2 3.71Å; K152-Y190 HydrophobicContact CB-CG 4.06Å
153P97.4Very high96.3Very high0 Ų038.6 Ų38.60%019%0.194CC..G310 helixtrans-57.4-29.2-179.1-25.436.8000114.5L112 F113 N155 I156 Y190 I219L112-P153 HydrophobicContact CB-CB 4.49Å; L112-P153 WeakPolarHBondContact CB-O 3.41Å; L112-P153 HydrophobicContact CG-CB 4.44Å; L112-P153 PolarHBondContact N-O 2.87Å; F113-P153 HydrophobicContact CB-CB 3.95Å; F113-P153 HydrophobicContact CD2-CB 4.4Å; F113-P153 PolarHBondContact N-O 2.86Å; P153-N155 VanDerWaalsContact C-N 3.27Å; P153-N155 PolarHBondContact O-N 3.22Å; P153-I156 PolarHBondContact O-N 3.3Å; P153-Y190 VanDerWaalsContact CD-CZ 3.48Å; P153-Y190 WeakPolarHBondContact CD-OH 3.11Å; P153-I219 HydrophobicContact CG-CG1 4.31Å
154E95.5Very high96.4Very high50 Ų5032.4 Ų32.423%0.23417%0.167CC..G310 helixtrans-65.1-31.6176.1-57.489.9144.700111.8E111 F113 K152 I156E111-E154 WeakPolarHBondContact OE2-CA 3.36Å; F113-E154 HydrophobicContact CB-CG 3.91Å; F113-E154 HydrophobicContact CD2-CG 4.31Å; F113-E154 HydrophobicContact CG-CG 4.01Å; K152-E154 VanDerWaalsContact CB-OE2 3.28Å; K152-E154 WeakPolarHBondContact CB-OE2 3.49Å; K152-E154 HydrophobicContact CD-CB 4.34Å; K152-E154 HydrophobicContact CG-CB 4.11Å; K152-E154 VanDerWaalsContact CG-OE2 3.24Å; K152-E154 WeakPolarHBondContact CG-OE2 3.32Å; K152-E154 PolarHBondContact O-N 2.81Å; E154-I156 VanDerWaalsContact C-N 3.3Å; E154-I156 PolarHBondContact O-N 3.06Å
155N97.1Very high96.4Very high12 Ų1230.3 Ų30.36%0.06415%0.154CC..G310 helixtrans-91.311.5178.9-69.1-7.4000112.7D150 K152 P153 T167 D168D150-N155 PolarHBondContact O-ND2 3.36Å; D150-N155 PolarHBondContact OD2-ND2 3.35Å; K152-N155 WeakPolarHBondContact CE-ND2 3.46Å; K152-N155 WeakPolarHBondContact CE-OD1 3.11Å; K152-N155 HydrophobicContact CG-CB 4.1Å; K152-N155 PolarHBondContact O-N 3.3Å; P153-N155 VanDerWaalsContact C-N 3.27Å; P153-N155 PolarHBondContact O-N 3.22Å; N155-T167 VanDerWaalsContact O-CG2 3.31Å; N155-T167 WeakPolarHBondContact O-CG2 3.22Å; N155-T167 PolarHBondContact O-N 3.25Å; N155-D168 HydrophobicContact CB-CB 4.47Å
156I98.4Very high96.5Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-118.3109.5176-59.6170.1000107.8L112 L134 P153 E154 I164 L166 I219L112-I156 HydrophobicContact CB-CB 4.02Å; L112-I156 HydrophobicContact CB-CG2 4.11Å; L112-I156 VanDerWaalsContact CB-O 3.22Å; L112-I156 WeakPolarHBondContact CB-O 3.32Å; L112-I156 HydrophobicContact CD2-CB 4.06Å; L112-I156 HydrophobicContact CD2-CD1 4.08Å; L112-I156 HydrophobicContact CD2-CG2 3.85Å; L112-I156 PolarHBondContact N-O 2.97Å; L134-I156 HydrophobicContact CD1-CD1 4.15Å; L134-I156 HydrophobicContact CD2-CD1 3.96Å; P153-I156 PolarHBondContact O-N 3.3Å; E154-I156 VanDerWaalsContact C-N 3.3Å; E154-I156 PolarHBondContact O-N 3.06Å; I156-I164 HydrophobicContact CG2-CB 3.63Å; I156-I164 HydrophobicContact CG2-CD1 4.19Å; I156-I164 HydrophobicContact CG2-CG1 4.47Å; I156-I164 HydrophobicContact CG2-CG2 3.8Å; I156-L166 HydrophobicContact CG1-CD1 4.16Å; I156-I219 HydrophobicContact CD1-CD1 4.08Å; I156-I219 HydrophobicContact CD1-CG2 4.45Å
157L97.8Very high96.4Very high31 Ų3128.8 Ų28.816%0.16215%0.147CC..EExtended strand (participates in β ladder)trans-92.7158.8-179.7-59.3177000111.6I88 M107 G110 E111 I164 K165 T167I88-L157 HydrophobicContact CD1-CD1 4.48Å; M107-L157 HydrophobicContact CB-CB 3.75Å; M107-L157 HydrophobicContact CB-CD1 3.95Å; M107-L157 HydrophobicContact CB-CG 4.37Å; M107-L157 HydrophobicContact CG-CB 3.63Å; M107-L157 HydrophobicContact CG-CD1 3.68Å; M107-L157 HydrophobicContact CG-CG 4.3Å; G110-L157 CarbonylContact O-C 3.42Å; G110-L157 WeakPolarHBondContact O-CA 3.47Å; E111-L157 HydrophobicContact CG-CD2 3.84Å; L157-I164 CarbonylContact O-C 3.55Å; L157-I164 VanDerWaalsContact O-CA 3.27Å; L157-I164 WeakPolarHBondContact O-CA 3.02Å; L157-K165 HydrophobicContact CB-CB 4.49Å; L157-K165 PolarHBondContact N-O 2.89Å; L157-K165 PolarHBondContact O-N 3.33Å; L157-T167 HydrophobicContact CD1-CG2 3.86Å; L157-T167 HydrophobicContact CD2-CG2 4.44Å; L157-T167 HydrophobicContact CG-CG2 3.76Å
158L97Very high96.2Very high2 Ų230.8 Ų30.81%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-114.1131.7179-65.7170000111.1R109 G110 L112 Y115 M162 I164R109-L158 HydrophobicContact CB-CB 3.56Å; R109-L158 WeakPolarHBondContact CB-O 3.21Å; R109-L158 HydrophobicContact CG-CB 4.48Å; R109-L158 PolarHBondContact N-O 3.29Å; G110-L158 PolarHBondContact O-N 2.8Å; L112-L158 HydrophobicContact CD1-CD1 4.34Å; L112-L158 HydrophobicContact CD1-CD2 4.47Å; Y115-L158 HydrophobicContact CD1-CD1 4.12Å; Y115-L158 HydrophobicContact CD2-CD1 4.39Å; Y115-L158 HydrophobicContact CG-CD1 3.77Å; L158-M162 HydrophobicContact CD1-CE 3.88Å; L158-I164 HydrophobicContact CD2-CG2 3.96Å
159D94.1Very high96.1Very high30 Ų3030.9 Ų30.916%0.1616%0.158CC..  trans-82.8176.5170.977.39.3000112.1M107 R109 N161 M162 N163M107-D159 HydrophobicContact SD-CB 4.05Å; R109-D159 WeakPolarHBondContact CG-O 3.33Å; D159-N161 PolarHBondContact O-N 3.14Å; D159-N161 VanDerWaalsContact OD1-C 3.29Å; D159-N161 VanDerWaalsContact OD1-CA 3.31Å; D159-N161 WeakPolarHBondContact OD1-CA 3.34Å; D159-N161 WeakPolarHBondContact OD1-CB 3.46Å; D159-N161 PolarHBondContact OD1-N 3.32Å; D159-M162 PolarHBondContact O-N 3.46Å; D159-M162 PolarHBondContact OD1-N 3.24Å; D159-M162 VanDerWaalsContact OD1-N 3.08Å; D159-N163 PolarHBondContact N-O 3.34Å; D159-N163 PolarHBondContact OD1-N 3.41Å; D159-N163 PolarHBondContact OD1-ND2 3.05Å; D159-N163 WeakPolarHBondContact OD2-CB 3.31Å; D159-N163 PolarHBondContact OD2-ND2 2.89Å
160D90.8Very high95.9Very high91 Ų9131.5 Ų31.549%0.48717%0.171SC..THydrogen-bonded Turntrans-58.3-23.4-179-70.8-36.7000113.8
161N91.9Very high95.7Very high126 Ų12635.2 Ų35.267%0.67419%0.187SC*.THydrogen-bonded Turntrans-99.18.7-177.2-63.526.5000112.2D159 N163D159-N161 PolarHBondContact O-N 3.14Å; D159-N161 VanDerWaalsContact OD1-C 3.29Å; D159-N161 VanDerWaalsContact OD1-CA 3.31Å; D159-N161 WeakPolarHBondContact OD1-CA 3.34Å; D159-N161 WeakPolarHBondContact OD1-CB 3.46Å; D159-N161 PolarHBondContact OD1-N 3.32Å; N161-N163 WeakPolarHBondContact CB-ND2 3.47Å; N161-N163 PolarHBondContact O-N 2.89Å
162M91.4Very high95.7Very high69 Ų6935.6 Ų35.634%0.3419%0.19SC..SBendtrans63.123.8-176-56.2-64.8-62.700113.9R109 Y115 L158 D159R109-M162 HydrophobicContact CG-SD 4.21Å; Y115-M162 HydrophobicContact CD1-CE 4.12Å; Y115-M162 HydrophobicContact CD2-CE 3.67Å; Y115-M162 HydrophobicContact CE1-CE 3.79Å; Y115-M162 HydrophobicContact CE2-CE 3.3Å; Y115-M162 HydrophobicContact CG-CE 4.06Å; L158-M162 HydrophobicContact CD1-CE 3.88Å; D159-M162 PolarHBondContact O-N 3.46Å; D159-M162 PolarHBondContact OD1-N 3.24Å; D159-M162 VanDerWaalsContact OD1-N 3.08Å
163N95.4Very high95.6Very high78 Ų7835.4 Ų35.442%0.41719%0.192SC..  trans-83.7147.2167.4-48.6-62.5000109.6D159 N161D159-N163 PolarHBondContact N-O 3.34Å; D159-N163 PolarHBondContact OD1-N 3.41Å; D159-N163 PolarHBondContact OD1-ND2 3.05Å; D159-N163 WeakPolarHBondContact OD2-CB 3.31Å; D159-N163 PolarHBondContact OD2-ND2 2.89Å; N161-N163 WeakPolarHBondContact CB-ND2 3.47Å; N161-N163 PolarHBondContact O-N 2.89Å
164I97.9Very high95.5Very high2 Ų239.7 Ų39.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-81.8149.617972.3168.8000112.3N86 I130 A133 L134 I156 L157 L158N86-I164 WeakPolarHBondContact CA-O 3.27Å; N86-I164 HydrophobicContact CB-CG1 4.44Å; N86-I164 PolarHBondContact ND2-O 3.31Å; I130-I164 HydrophobicContact CB-CG2 4.36Å; I130-I164 HydrophobicContact CG1-CG2 4.05Å; I130-I164 HydrophobicContact CG2-CG2 4Å; I130-I164 WeakPolarHBondContact O-CD1 3.32Å; A133-I164 HydrophobicContact CB-CD1 3.8Å; A133-I164 HydrophobicContact CB-CG1 3.68Å; L134-I164 HydrophobicContact CB-CD1 3.73Å; I156-I164 HydrophobicContact CG2-CB 3.63Å; I156-I164 HydrophobicContact CG2-CD1 4.19Å; I156-I164 HydrophobicContact CG2-CG1 4.47Å; I156-I164 HydrophobicContact CG2-CG2 3.8Å; L157-I164 CarbonylContact O-C 3.55Å; L157-I164 VanDerWaalsContact O-CA 3.27Å; L157-I164 WeakPolarHBondContact O-CA 3.02Å; L158-I164 HydrophobicContact CD2-CG2 3.96Å
165K98.3Very high95.5Very high34 Ų3438 Ų3815%0.14821%0.205CC..EExtended strand (participates in β ladder)trans-129.6114.4165.6-58-68.8-178.4164.20108.6P85 N86 M107 L157P85-K165 WeakPolarHBondContact O-CD 3.18Å; P85-K165 WeakPolarHBondContact O-CE 3.41Å; P85-K165 PolarHBondContact O-NZ 3.37Å; N86-K165 CarbonylContact O-C 3.56Å; N86-K165 WeakPolarHBondContact O-CA 3.03Å; M107-K165 HydrophobicContact CE-CG 4.08Å; M107-K165 HydrophobicContact SD-CB 4.23Å; M107-K165 HydrophobicContact SD-CG 3.59Å; M107-K165 VanDerWaalsContact SD-CG 3.59Å; L157-K165 HydrophobicContact CB-CB 4.49Å; L157-K165 PolarHBondContact N-O 2.89Å; L157-K165 PolarHBondContact O-N 3.33Å
166L98.5Very high95.4Very high1 Ų144.7 Ų44.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-67.6134.6171.3-176.265.9000109.6N86 I88 V137 L141 L151 I156 F169N86-L166 PolarHBondContact O-N 2.88Å; I88-L166 WeakPolarHBondContact CB-O 3.5Å; I88-L166 WeakPolarHBondContact CG2-O 3.47Å; I88-L166 PolarHBondContact N-O 3.06Å; V137-L166 HydrophobicContact CG1-CB 4.12Å; V137-L166 HydrophobicContact CG1-CD2 3.46Å; V137-L166 VanDerWaalsContact CG1-CD2 3.46Å; V137-L166 HydrophobicContact CG1-CG 4.44Å; L141-L166 HydrophobicContact CD1-CD2 4.08Å; L151-L166 HydrophobicContact CD2-CD1 3.54Å; L151-L166 HydrophobicContact CD2-CD2 3.92Å; L151-L166 HydrophobicContact CD2-CG 4.4Å; I156-L166 HydrophobicContact CG1-CD1 4.16Å; L166-F169 HydrophobicContact CD2-CZ 4.05Å; L166-F169 HydrophobicContact CG-CE2 4.48Å; L166-F169 HydrophobicContact CG-CZ 4.31Å
167T96.4Very high94.9Very high27 Ų2750.8 Ų50.817%0.16627%0.272CS..  trans-131.9177.6179.5-1680000111H148 N155 L157H148-T167 PolarHBondContact NE2-O 2.9Å; N155-T167 VanDerWaalsContact O-CG2 3.31Å; N155-T167 WeakPolarHBondContact O-CG2 3.22Å; N155-T167 PolarHBondContact O-N 3.25Å; L157-T167 HydrophobicContact CD1-CG2 3.86Å; L157-T167 HydrophobicContact CD2-CG2 4.44Å; L157-T167 HydrophobicContact CG-CG2 3.76Å
168D93Very high94.4Very high42 Ų4253.2 Ų53.223%0.22531%0.305CS..  trans62.971.6173.6-154.720.9000115.5K49 H148 N155 G170K49-D168 IonicContact NZ-OD1 3.59Å; K49-D168 PolarHBondContact NZ-OD1 3.04Å; H148-D168 PolarHBondContact CE1-O 3.48Å; H148-D168 PolarHBondContact NE2-O 2.97Å; N155-D168 HydrophobicContact CB-CB 4.47Å; D168-G170 PolarHBondContact O-N 2.71Å
169F96.3Very high94.2Very high1 Ų157 Ų570%0.00432%0.323CS..G310 helixtrans-85.215.9178.1-71.1-100.8000112.9E74 I77 L78 V81 I87 L141 H148 L166 F171 S172E74-F169 HydrophobicContact CG-CB 4.14Å; I77-F169 HydrophobicContact CG2-CB 4.23Å; I77-F169 HydrophobicContact CG2-CD1 3.53Å; I77-F169 HydrophobicContact CG2-CE1 4.24Å; I77-F169 HydrophobicContact CG2-CG 4.15Å; L78-F169 HydrophobicContact CD2-CB 4.49Å; L78-F169 HydrophobicContact CD2-CD2 3.53Å; L78-F169 HydrophobicContact CD2-CE2 4Å; L78-F169 HydrophobicContact CD2-CG 4.15Å; L78-F169 HydrophobicContact CG-CB 4.37Å; L78-F169 HydrophobicContact CG-CD2 4.29Å; L78-F169 HydrophobicContact CG-CG 4.47Å; V81-F169 HydrophobicContact CG2-CZ 4.41Å; I87-F169 HydrophobicContact CD1-CZ 4.41Å; I87-F169 HydrophobicContact CG2-CE2 3.71Å; I87-F169 HydrophobicContact CG2-CZ 3.7Å; L141-F169 HydrophobicContact CD1-CE1 3.96Å; L141-F169 HydrophobicContact CD1-CZ 4.49Å; L141-F169 HydrophobicContact CD2-CE1 3.84Å; L141-F169 HydrophobicContact CD2-CZ 4.46Å; H148-F169 AromaticContact CD2-CD1 4Å; H148-F169 AromaticContact CD2-CE1 3.91Å; L166-F169 HydrophobicContact CD2-CZ 4.05Å; L166-F169 HydrophobicContact CG-CE2 4.48Å; L166-F169 HydrophobicContact CG-CZ 4.31Å; F169-F171 PolarHBondContact O-N 3.49Å; F169-S172 WeakPolarHBondContact CA-OG 3.45Å; F169-S172 VanDerWaalsContact CD1-OG 3.27Å; F169-S172 WeakPolarHBondContact CD1-OG 3.38Å; F169-S172 VanDerWaalsContact O-CB 3.27Å; F169-S172 WeakPolarHBondContact O-CB 3.42Å; F169-S172 PolarHBondContact O-N 3.15Å; F169-S172 PolarHBondContact O-OG 2.73Å
170G93.2Very high94.2Very high33 Ų3360.2 Ų60.234%0.3434%0.335SS..G310 helixtrans-62-28.8-17600000114D168D168-G170 PolarHBondContact O-N 2.71Å
171F94.3Very high94.4Very high81 Ų8157 Ų5736%0.35532%0.318SS..G310 helixtrans-95.5-3171.9-65.3-67.8000113.3H148 R149 D150 F169 C185H148-F171 CarbonylContact O-C 3.41Å; R149-F171 HydrophobicContact CB-CB 4.32Å; R149-F171 PolarHBondContact NE-O 3.11Å; R149-F171 PolarHBondContact NH2-O 3.18Å; D150-F171 HydrophobicContact CB-CB 4.34Å; D150-F171 HydrophobicContact CB-CD2 3.69Å; D150-F171 HydrophobicContact CB-CE2 4.49Å; D150-F171 HydrophobicContact CB-CG 4.39Å; F169-F171 PolarHBondContact O-N 3.49Å; F171-C185 HydrophobicContact CD1-CB 3.63Å; F171-C185 HydrophobicContact CE1-CB 3.95Å; F171-C185 HydrophobicContact CG-CB 4.37Å
172S96.9Very high94.5Very high9 Ų956.4 Ų56.46%0.06331%0.307CS..  trans-71148.8-176.5-59.30000111.6I77 V147 H148 F169I77-S172 VanDerWaalsContact CD1-C 3.49Å; I77-S172 VanDerWaalsContact CD1-O 3.3Å; I77-S172 WeakPolarHBondContact CD1-O 3.3Å; V147-S172 WeakPolarHBondContact O-CA 3.42Å; V147-S172 WeakPolarHBondContact O-CB 3.38Å; H148-S172 WeakPolarHBondContact CA-OG 3.4Å; H148-S172 PolarHBondContact O-OG 3.47Å; F169-S172 WeakPolarHBondContact CA-OG 3.45Å; F169-S172 VanDerWaalsContact CD1-OG 3.27Å; F169-S172 WeakPolarHBondContact CD1-OG 3.38Å; F169-S172 VanDerWaalsContact O-CB 3.27Å; F169-S172 WeakPolarHBondContact O-CB 3.42Å; F169-S172 PolarHBondContact O-N 3.15Å; F169-S172 PolarHBondContact O-OG 2.73Å
173C95.3Very high94.5Very high25 Ų2558.4 Ų58.417%0.16932%0.315CS..EExtended strand (participates in β ladder)trans-145.7150.4174.864.80000111I146 V147 L181I146-C173 WeakPolarHBondContact CA-O 3.45Å; V147-C173 PolarHBondContact N-O 2.79Å; V147-C173 PolarHBondContact O-N 3.44Å; V147-C173 VanDerWaalsContact O-N 3.09Å; C173-L181 WeakPolarHBondContact SG-CD1 3.46Å
174Q96.6Very high94.4Very high90 Ų9058.3 Ų58.342%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-94.1121.3172.4-169.6171.526.800109.8L144 D145 I146L144-Q174 PolarHBondContact O-NE2 3.34Å; D145-Q174 CarbonylContact O-C 3.54Å; D145-Q174 WeakPolarHBondContact O-CA 3.31Å; I146-Q174 HydrophobicContact CG1-CB 4.22Å; I146-Q174 HydrophobicContact CG1-CG 4.16Å
175L95.5Very high94.1Very high15 Ų1558.7 Ų58.78%0.07932%0.32CS..PPolyproline II helixtrans-82.7140.3178.8-62.1-179.8000111D145 V147 E179 L181 K209D145-L175 HydrophobicContact CB-CB 4.47Å; D145-L175 WeakPolarHBondContact CB-O 3.3Å; D145-L175 PolarHBondContact O-N 3.23Å; V147-L175 HydrophobicContact CG2-CD1 3.57Å; V147-L175 HydrophobicContact CG2-CG 3.98Å; L175-E179 HydrophobicContact CD2-CG 4.36Å; L175-L181 HydrophobicContact CD2-CD1 3.83Å; L175-L181 HydrophobicContact CD2-CD2 3.71Å; L175-L181 HydrophobicContact CD2-CG 3.6Å; L175-K209 HydrophobicContact CD1-CG 4.04Å
176K94.1Very high93.8Very high152 Ų15258.1 Ų58.166%0.66132%0.324SS*.PPolyproline II helixtrans-77.7157.8163.6-63172.7-1741710110G178 E179K176-G178 PolarHBondContact O-N 3.36Å; K176-G178 VanDerWaalsContact O-N 3.15Å; K176-E179 HydrophobicContact CB-CB 4.11Å; K176-E179 VanDerWaalsContact CB-OE2 3.32Å; K176-E179 WeakPolarHBondContact CB-OE2 3.16Å; K176-E179 WeakPolarHBondContact CG-OE2 3.38Å; K176-E179 PolarHBondContact N-OE2 2.83Å; K176-E179 WeakPolarHBondContact O-CB 3.35Å; K176-E179 PolarHBondContact O-N 3.3Å
177P88.4Confident93.5Very high127 Ų12759.7 Ų59.783%0.82533%0.333SS*.THydrogen-bonded Turntrans-53.9122.7176-27.435.6000112.1E179P177-E179 PolarHBondContact O-N 3.45Å
178G86.9Confident93.3Very high83 Ų8360.6 Ų60.686%0.85634%0.34SS*.THydrogen-bonded Turntrans78-1.7-178.800000115.3K176K176-G178 PolarHBondContact O-N 3.36Å; K176-G178 VanDerWaalsContact O-N 3.15Å
179E93.4Very high93.4Very high80 Ų8059.9 Ų59.937%0.37434%0.338SS..  trans-68.3141.4175.3-173.1171.8-166.100111.1L175 K176 P177L175-E179 HydrophobicContact CD2-CG 4.36Å; K176-E179 HydrophobicContact CB-CB 4.11Å; K176-E179 VanDerWaalsContact CB-OE2 3.32Å; K176-E179 WeakPolarHBondContact CB-OE2 3.16Å; K176-E179 WeakPolarHBondContact CG-OE2 3.38Å; K176-E179 PolarHBondContact N-OE2 2.83Å; K176-E179 WeakPolarHBondContact O-CB 3.35Å; K176-E179 PolarHBondContact O-N 3.3Å; P177-E179 PolarHBondContact O-N 3.45Å
180K93.5Very high93.4Very high98 Ų9860.5 Ų60.543%0.42634%0.34SS..  trans-128.5143.3174-67.9-66.4-175.8-179.30109.3P205 Y207 E210K180-P205 WeakPolarHBondContact CB-O 3.33Å; K180-Y207 WeakPolarHBondContact CA-O 3.47Å; K180-Y207 WeakPolarHBondContact CD-O 3.32Å; K180-E210 IonicContact NZ-OE1 3.9Å; K180-E210 IonicContact NZ-OE2 3.86Å
181L94.5Very high93.6Very high23 Ų2359.5 Ų59.512%0.1233%0.327CS..BIsolated β-bridgetrans-96154.1-178.9-58.5170.7000110.3C173 L175 G206 Y207C173-L181 WeakPolarHBondContact SG-CD1 3.46Å; L175-L181 HydrophobicContact CD2-CD1 3.83Å; L175-L181 HydrophobicContact CD2-CD2 3.71Å; L175-L181 HydrophobicContact CD2-CG 3.6Å; L181-G206 CarbonylContact O-C 3.54Å; L181-G206 WeakPolarHBondContact O-CA 3.38Å; L181-Y207 HydrophobicContact CB-CD1 4.25Å; L181-Y207 HydrophobicContact CB-CD2 4.01Å; L181-Y207 HydrophobicContact CB-CE1 3.81Å; L181-Y207 HydrophobicContact CB-CE2 3.56Å; L181-Y207 HydrophobicContact CB-CG 4.34Å; L181-Y207 VanDerWaalsContact CB-CZ 3.43Å; L181-Y207 HydrophobicContact CD1-CD2 4.28Å; L181-Y207 HydrophobicContact CD1-CE2 3.58Å; L181-Y207 HydrophobicContact CG-CE2 4.21Å; L181-Y207 PolarHBondContact N-O 3.27Å; L181-Y207 WeakPolarHBondContact O-CD1 3.33Å; L181-Y207 PolarHBondContact O-N 3.36Å
182R94.2Very high93.8Very high115 Ų11555.6 Ų55.643%0.43431%0.31SS..  trans-130.6-16.4178.8-57.1-17265152.96113.4N201 D202 H204R182-N201 PolarHBondContact NH2-O 2.89Å; R182-D202 PolarHBondContact NH1-O 3.28Å; R182-D202 VanDerWaalsContact NH1-O 3.1Å; R182-D202 PolarHBondContact NH2-O 3.37Å; R182-H204 PolarHBondContact NH2-O 3.19Å
183E92Very high93.8Very high111 Ų11155.2 Ų55.252%0.51931%0.307SS..  trans-61.9134.5179.2-176-168.6-172.700111.2R149 Y207R149-E183 IonicContact CZ-OE2 3.51Å; R149-E183 IonicContact NH1-OE2 3.47Å; R149-E183 PolarHBondContact NH1-OE2 3.38Å; R149-E183 IonicContact NH2-OE2 2.74Å; R149-E183 PolarHBondContact NH2-OE2 3.24Å; E183-Y207 VanDerWaalsContact O-CE1 3.25Å; E183-Y207 WeakPolarHBondContact O-CE1 3.5Å; E183-Y207 VanDerWaalsContact O-CZ 3.3Å; E183-Y207 PolarHBondContact O-OH 3.13Å
184V92.8Very high93.9Very high76 Ų7654.3 Ų54.346%0.46130%0.3SS..  trans-92.4107.9175.5-179.10000108.2I195 S199V184-I195 HydrophobicContact CB-CG2 4.45Å; V184-I195 HydrophobicContact CG1-CG2 4.2Å; V184-I195 HydrophobicContact CG2-CG2 4.4Å; V184-S199 VanDerWaalsContact CG2-CB 3.4Å
185C92.4Very high93.9Very high10 Ų1050.1 Ų50.17%0.06828%0.281CS..  trans-141.3162.9178.262.10000110.4R149 F171 L191R149-C185 PolarHBondContact NH1-SG 2.84Å; R149-C185 VanDerWaalsContact NH1-SG 3.44Å; F171-C185 HydrophobicContact CD1-CB 3.63Å; F171-C185 HydrophobicContact CE1-CB 3.95Å; F171-C185 HydrophobicContact CG-CB 4.37Å; C185-L191 WeakPolarHBondContact O-CD2 3.42Å
186G91.4Very high93.9Very high22 Ų2249.6 Ų49.623%0.22728%0.278CS..SBendtrans96.2178-177.100000114.1D150D150-G186 VanDerWaalsContact OD1-CA 3.31Å; D150-G186 WeakPolarHBondContact OD1-CA 3.32Å
187T92Very high93.9Very high34 Ų3445.6 Ų45.621%0.20926%0.262CS..  trans-82.7125.6-171.1-55.40000111.6D150 K152 S189 Y190 L191D150-T187 PolarHBondContact OD1-N 2.58Å; D150-T187 PolarHBondContact OD1-OG1 3.32Å; K152-T187 HydrophobicContact CD-CG2 4.39Å; K152-T187 VanDerWaalsContact CD-OG1 3.22Å; K152-T187 WeakPolarHBondContact CD-OG1 3.32Å; K152-T187 PolarHBondContact NZ-OG1 3.24Å; T187-S189 VanDerWaalsContact C-N 3.3Å; T187-S189 PolarHBondContact O-N 2.73Å; T187-Y190 HydrophobicContact CG2-CD2 3.91Å; T187-Y190 HydrophobicContact CG2-CE2 4.31Å; T187-Y190 PolarHBondContact O-N 2.76Å; T187-L191 PolarHBondContact O-N 3.04Å
188P93.3Very high94.2Very high46 Ų4639.9 Ų39.930%0.29923%0.225SC..G310 helixtrans-50.8-36.4-169.3-3336.2000117.1Y190 M238 I242P188-Y190 VanDerWaalsContact C-N 3.26Å; P188-Y190 PolarHBondContact O-N 3.29Å; P188-M238 HydrophobicContact CB-CE 3.97Å; P188-I242 WeakPolarHBondContact O-CD1 3.04Å
189S93.8Very high94.3Very high26 Ų2639.1 Ų39.118%0.18221%0.206CC..G310 helixtrans-73.7-14.6-179.850.70000114.2T187T187-S189 VanDerWaalsContact C-N 3.3Å; T187-S189 PolarHBondContact O-N 2.73Å
190Y97.4Very high94.1Very high14 Ų1440 Ų406%0.05521%0.212CC..G310 helixtrans-110.7-2.3-178.8-60.8-88.7000112.7K152 P153 T187 P188 S215 V218 I219K152-Y190 HydrophobicContact CB-CD1 4.19Å; K152-Y190 HydrophobicContact CB-CD2 3.82Å; K152-Y190 HydrophobicContact CB-CE1 4.13Å; K152-Y190 HydrophobicContact CB-CE2 3.71Å; K152-Y190 HydrophobicContact CB-CG 4.06Å; P153-Y190 VanDerWaalsContact CD-CZ 3.48Å; P153-Y190 WeakPolarHBondContact CD-OH 3.11Å; T187-Y190 HydrophobicContact CG2-CD2 3.91Å; T187-Y190 HydrophobicContact CG2-CE2 4.31Å; T187-Y190 PolarHBondContact O-N 2.76Å; P188-Y190 VanDerWaalsContact C-N 3.26Å; P188-Y190 PolarHBondContact O-N 3.29Å; Y190-S215 PolarHBondContact O-OG 3.27Å; Y190-V218 HydrophobicContact CD1-CB 3.8Å; Y190-V218 HydrophobicContact CD1-CG1 3.37Å; Y190-V218 HydrophobicContact CE1-CB 4.24Å; Y190-V218 HydrophobicContact CE1-CG1 3.52Å; Y190-V218 HydrophobicContact CG-CG1 4.2Å; Y190-I219 HydrophobicContact CD1-CG1 4.32Å; Y190-I219 HydrophobicContact CE1-CG1 4.07Å
191L97.3Very high93.9Very high12 Ų1238.9 Ų38.96%0.06321%0.21CC..  trans-64.7137.1177.8-65.7-178.9000111.1C185 T187 I195 I196 W214 I242C185-L191 WeakPolarHBondContact O-CD2 3.42Å; T187-L191 PolarHBondContact O-N 3.04Å; L191-I195 HydrophobicContact CD2-CD1 4.15Å; L191-I195 HydrophobicContact CD2-CG2 4.25Å; L191-I196 HydrophobicContact CB-CD1 4.42Å; L191-I196 HydrophobicContact CB-CG1 4.27Å; L191-I196 HydrophobicContact CD1-CG1 4.45Å; L191-W214 PolarHBondContact O-NE1 3.49Å; L191-I242 VanDerWaalsContact O-CG2 3.3Å; L191-I242 WeakPolarHBondContact O-CG2 3.22Å
192A97.9Very high93.6Very high0 Ų044.3 Ų44.30%024%0.24CC..  trans-75.1151.2171.900000111.2E194 I195 I196 V211 W214A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 VanDerWaalsContact CB-CD 3.47Å; A192-E194 HydrophobicContact CB-CG 4.37Å; A192-E194 VanDerWaalsContact CB-OE2 3.3Å; A192-E194 WeakPolarHBondContact CB-OE2 3.43Å; A192-E194 PolarHBondContact O-N 3.04Å; A192-I195 HydrophobicContact CB-CD1 4.44Å; A192-I195 HydrophobicContact CB-CG1 4.4Å; A192-I195 PolarHBondContact O-N 2.73Å; A192-I195 VanDerWaalsContact O-N 3.09Å; A192-I196 PolarHBondContact O-N 3.15Å; A192-V211 HydrophobicContact CB-CB 4.01Å; A192-V211 HydrophobicContact CB-CG1 3.97Å; A192-W214 VanDerWaalsContact CA-CD1 3.48Å; A192-W214 HydrophobicContact CB-CB 3.73Å; A192-W214 HydrophobicContact CB-CD2 4.42Å; A192-W214 HydrophobicContact CB-CG 3.77Å
193P97.8Very high93.4Very high1 Ų146 Ų461%0.00626%0.257CS..Hα-helixtrans-51.6-43.1179.7-30.238.1000113.5I195 I196 E197 W214 I242 V271P193-I195 VanDerWaalsContact C-N 3.3Å; P193-I195 PolarHBondContact O-N 3.5Å; P193-I196 WeakPolarHBondContact O-CB 3.18Å; P193-I196 PolarHBondContact O-N 2.89Å; P193-I196 VanDerWaalsContact O-N 3.09Å; P193-E197 WeakPolarHBondContact O-CG 3.27Å; P193-E197 PolarHBondContact O-N 3.32Å; P193-W214 HydrophobicContact CG-CD2 4.46Å; P193-W214 HydrophobicContact CG-CE3 4.16Å; P193-W214 HydrophobicContact CG-CH2 3.58Å; P193-W214 HydrophobicContact CG-CZ2 3.92Å; P193-W214 HydrophobicContact CG-CZ3 3.71Å; P193-I242 HydrophobicContact CG-CG2 4.09Å; P193-I242 WeakPolarHBondContact CG-O 3.43Å; P193-V271 HydrophobicContact CB-CG1 3.98Å; P193-V271 HydrophobicContact CG-CB 4.48Å; P193-V271 HydrophobicContact CG-CG1 4.18Å; P193-V271 HydrophobicContact CG-CG2 4.37Å
194E97.4Very high93.5Very high5 Ų542 Ų422%0.02324%0.238CC..Hα-helixtrans-66.5-26.5-17864-88.4-150.700113.6A192 C198 V211 P273 R276A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 VanDerWaalsContact CB-CD 3.47Å; A192-E194 HydrophobicContact CB-CG 4.37Å; A192-E194 VanDerWaalsContact CB-OE2 3.3Å; A192-E194 WeakPolarHBondContact CB-OE2 3.43Å; A192-E194 PolarHBondContact O-N 3.04Å; E194-C198 PolarHBondContact O-N 3.24Å; E194-C198 PolarHBondContact O-SG 3.4Å; E194-V211 HydrophobicContact CG-CG1 4.06Å; E194-V211 WeakPolarHBondContact OE1-CG1 3.46Å; E194-P273 HydrophobicContact CB-CG 3.98Å; E194-P273 VanDerWaalsContact CD-CG 3.4Å; E194-P273 HydrophobicContact CG-CG 3.84Å; E194-P273 WeakPolarHBondContact OE1-CG 3.43Å; E194-R276 IonicContact OE1-CZ 2.86Å; E194-R276 IonicContact OE1-NH1 3.8Å; E194-R276 PolarHBondContact OE1-NH1 2.85Å; E194-R276 IonicContact OE1-NH2 3.96Å; E194-R276 PolarHBondContact OE1-NH2 2.85Å; E194-R276 IonicContact OE2-CZ 2.85Å; E194-R276 IonicContact OE2-NH1 3.55Å; E194-R276 IonicContact OE2-NH2 2.93Å; E194-R276 PolarHBondContact OE2-NH2 3.29Å
195I96.6Very high93.4Very high2 Ų243.4 Ų43.41%0.0125%0.249CC..Hα-helixtrans-69.2-42.7172.7-60178.2000109.3V184 L191 A192 P193 C198 S199 Y207 V211V184-I195 HydrophobicContact CB-CG2 4.45Å; V184-I195 HydrophobicContact CG1-CG2 4.2Å; V184-I195 HydrophobicContact CG2-CG2 4.4Å; L191-I195 HydrophobicContact CD2-CD1 4.15Å; L191-I195 HydrophobicContact CD2-CG2 4.25Å; A192-I195 HydrophobicContact CB-CD1 4.44Å; A192-I195 HydrophobicContact CB-CG1 4.4Å; A192-I195 PolarHBondContact O-N 2.73Å; A192-I195 VanDerWaalsContact O-N 3.09Å; P193-I195 VanDerWaalsContact C-N 3.3Å; P193-I195 PolarHBondContact O-N 3.5Å; I195-C198 WeakPolarHBondContact O-CB 3.27Å; I195-C198 PolarHBondContact O-N 3.43Å; I195-S199 PolarHBondContact O-N 3.2Å; I195-Y207 HydrophobicContact CB-CD1 4.46Å; I195-Y207 HydrophobicContact CD1-CE2 4.39Å; I195-Y207 HydrophobicContact CG1-CD1 3.88Å; I195-Y207 HydrophobicContact CG1-CD2 4.14Å; I195-Y207 HydrophobicContact CG1-CE1 4.01Å; I195-Y207 HydrophobicContact CG1-CE2 4.25Å; I195-Y207 HydrophobicContact CG1-CG 3.95Å; I195-Y207 HydrophobicContact CG2-CE1 4.31Å; I195-V211 HydrophobicContact CD1-CB 3.9Å; I195-V211 HydrophobicContact CD1-CG1 3.79Å; I195-V211 HydrophobicContact CD1-CG2 4.35Å; I195-V211 HydrophobicContact CG1-CB 4.39Å; I195-V211 HydrophobicContact CG1-CG1 3.72Å
196I95.4Very high93.5Very high4 Ų443.3 Ų43.32%0.02125%0.25CS..Hα-helixtrans-66.1-42.8178.8-57.8169.2000109.7L191 A192 P193 C198 S199 M200 L239 I242 M243L191-I196 HydrophobicContact CB-CD1 4.42Å; L191-I196 HydrophobicContact CB-CG1 4.27Å; L191-I196 HydrophobicContact CD1-CG1 4.45Å; A192-I196 PolarHBondContact O-N 3.15Å; P193-I196 WeakPolarHBondContact O-CB 3.18Å; P193-I196 PolarHBondContact O-N 2.89Å; P193-I196 VanDerWaalsContact O-N 3.09Å; I196-C198 PolarHBondContact O-N 2.79Å; I196-S199 WeakPolarHBondContact O-CB 3.34Å; I196-S199 PolarHBondContact O-N 2.82Å; I196-S199 VanDerWaalsContact O-N 3.13Å; I196-S199 PolarHBondContact O-OG 3.42Å; I196-M200 HydrophobicContact CG2-CE 3.5Å; I196-M200 VanDerWaalsContact CG2-CE 3.5Å; I196-M200 HydrophobicContact CG2-SD 4.32Å; I196-M200 PolarHBondContact O-N 2.81Å; I196-L239 HydrophobicContact CD1-CB 4.34Å; I196-L239 HydrophobicContact CD1-CD2 3.78Å; I196-L239 HydrophobicContact CG1-CD2 4.34Å; I196-I242 HydrophobicContact CD1-CB 3.97Å; I196-I242 HydrophobicContact CD1-CD1 4.33Å; I196-I242 HydrophobicContact CD1-CG2 3.51Å; I196-M243 HydrophobicContact CB-CG 4.3Å; I196-M243 HydrophobicContact CD1-CG 4.39Å; I196-M243 HydrophobicContact CG2-CG 3.98Å; I196-M243 HydrophobicContact CG2-SD 3.77Å
197E94.3Very high93.8Very high68 Ų6842.4 Ų42.432%0.31824%0.24SC..Hα-helixtrans-62.5-39.5177-72.9-179.4-176.600112.6P193 S199 M200 N201 H204 M243P193-E197 WeakPolarHBondContact O-CG 3.27Å; P193-E197 PolarHBondContact O-N 3.32Å; E197-S199 PolarHBondContact O-N 3.34Å; E197-M200 PolarHBondContact O-N 3.27Å; E197-N201 PolarHBondContact O-N 3.34Å; E197-H204 IonicContact OE2-CD2 2.83Å; E197-H204 IonicContact OE2-NE2 3.34Å; E197-M243 HydrophobicContact CG-CE 3.96Å
198C92.9Very high94Very high7 Ų740.9 Ų40.95%0.04723%0.23CC..Hα-helixtrans-56-33.7173.6-72.50000113E194 I195 I196 M200 H204E194-C198 PolarHBondContact O-N 3.24Å; E194-C198 PolarHBondContact O-SG 3.4Å; I195-C198 WeakPolarHBondContact O-CB 3.27Å; I195-C198 PolarHBondContact O-N 3.43Å; I196-C198 PolarHBondContact O-N 2.79Å; C198-M200 VanDerWaalsContact C-N 3.32Å; C198-H204 PolarHBondContact SG-ND1 2.81Å
199S89.3Confident94.2Very high68 Ų6841.6 Ų41.648%0.47623%0.229SC..Hα-helixtrans-75.5-20.9179.682.90000114V184 I195 I196 E197V184-S199 VanDerWaalsContact CG2-CB 3.4Å; I195-S199 PolarHBondContact O-N 3.2Å; I196-S199 WeakPolarHBondContact O-CB 3.34Å; I196-S199 PolarHBondContact O-N 2.82Å; I196-S199 VanDerWaalsContact O-N 3.13Å; I196-S199 PolarHBondContact O-OG 3.42Å; E197-S199 PolarHBondContact O-N 3.34Å
200M89.7Confident94.4Very high98 Ų9843.1 Ų43.148%0.48323%0.233SC..Hα-helixtrans-105.1-18.9-174.5-62.8-176.8-17500112.5I196 E197 C198 M236 M243I196-M200 HydrophobicContact CG2-CE 3.5Å; I196-M200 VanDerWaalsContact CG2-CE 3.5Å; I196-M200 HydrophobicContact CG2-SD 4.32Å; I196-M200 PolarHBondContact O-N 2.81Å; E197-M200 PolarHBondContact O-N 3.27Å; C198-M200 VanDerWaalsContact C-N 3.32Å; M200-M236 HydrophobicContact CE-CE 3.97Å; M200-M243 HydrophobicContact CE-SD 4.15Å; M200-M243 HydrophobicContact SD-CE 4.34Å; M200-M243 HydrophobicContact SD-SD 4.03Å
201N89.8Confident94.4Very high74 Ų7442.5 Ų42.540%0.39623%0.231SC..  trans-134.3109.7-175.2-1776.3000111.8R182 E197 D203 H204R182-N201 PolarHBondContact NH2-O 2.89Å; E197-N201 PolarHBondContact O-N 3.34Å; N201-D203 PolarHBondContact O-N 2.89Å; N201-D203 WeakPolarHBondContact OD1-CB 3.41Å; N201-D203 PolarHBondContact OD1-N 3.44Å; N201-H204 HydrophobicContact CB-CB 4.34Å; N201-H204 WeakPolarHBondContact O-CB 3.08Å; N201-H204 PolarHBondContact O-N 3Å; N201-H204 VanDerWaalsContact O-N 3.11Å
202D87.4Confident94.5Very high138 Ų13841.9 Ų41.974%0.73823%0.228SC*.THydrogen-bonded Turntrans-67.5-13178.1-68-27000113.7R182R182-D202 PolarHBondContact NH1-O 3.28Å; R182-D202 VanDerWaalsContact NH1-O 3.1Å; R182-D202 PolarHBondContact NH2-O 3.37Å
203D91.4Very high94.5Very high149 Ų14942.1 Ų42.180%0.79723%0.229SC*.THydrogen-bonded Turntrans-94.9-1.9175-63.4-40.3000113.2N201N201-D203 PolarHBondContact O-N 2.89Å; N201-D203 WeakPolarHBondContact OD1-CB 3.41Å; N201-D203 PolarHBondContact OD1-N 3.44Å
204H92.5Very high94.6Very high28 Ų2842 Ų4213%0.1323%0.228CC..  trans-65.1135179.7-169.9-86.1000110.9R182 E197 C198 N201 G206R182-H204 PolarHBondContact NH2-O 3.19Å; E197-H204 IonicContact OE2-CD2 2.83Å; E197-H204 IonicContact OE2-NE2 3.34Å; C198-H204 PolarHBondContact SG-ND1 2.81Å; N201-H204 HydrophobicContact CB-CB 4.34Å; N201-H204 WeakPolarHBondContact O-CB 3.08Å; N201-H204 PolarHBondContact O-N 3Å; N201-H204 VanDerWaalsContact O-N 3.11Å; H204-G206 PolarHBondContact CE1-O 3.44Å; H204-G206 VanDerWaalsContact CE1-O 3.32Å; H204-G206 PolarHBondContact ND1-N 3.03Å; H204-G206 PolarHBondContact O-N 2.81Å
205P91.3Very high94.6Very high105 Ų10542 Ų4268%0.68223%0.229SC*.  trans-68.3-4.5-175.127.7-37.2000114.8K180K180-P205 WeakPolarHBondContact CB-O 3.33Å
206G94.9Very high94.8Very high9 Ų942 Ų429%0.09323%0.228CC..  trans92.5-178.7-176.500000113.8L181 H204L181-G206 CarbonylContact O-C 3.54Å; L181-G206 WeakPolarHBondContact O-CA 3.38Å; H204-G206 PolarHBondContact CE1-O 3.44Å; H204-G206 VanDerWaalsContact CE1-O 3.32Å; H204-G206 PolarHBondContact ND1-N 3.03Å; H204-G206 PolarHBondContact O-N 2.81Å
207Y96.4Very high94.9Very high3 Ų341.8 Ų41.81%0.01223%0.227CC..BIsolated β-bridgetrans-121.8166.9-178.965.6-94.9000111.9R149 K180 L181 E183 I195 V211R149-Y207 HydrophobicContact CG-CE2 4.49Å; R149-Y207 PolarHBondContact NH1-OH 2.9Å; K180-Y207 WeakPolarHBondContact CA-O 3.47Å; K180-Y207 WeakPolarHBondContact CD-O 3.32Å; L181-Y207 HydrophobicContact CB-CD1 4.25Å; L181-Y207 HydrophobicContact CB-CD2 4.01Å; L181-Y207 HydrophobicContact CB-CE1 3.81Å; L181-Y207 HydrophobicContact CB-CE2 3.56Å; L181-Y207 HydrophobicContact CB-CG 4.34Å; L181-Y207 VanDerWaalsContact CB-CZ 3.43Å; L181-Y207 HydrophobicContact CD1-CD2 4.28Å; L181-Y207 HydrophobicContact CD1-CE2 3.58Å; L181-Y207 HydrophobicContact CG-CE2 4.21Å; L181-Y207 PolarHBondContact N-O 3.27Å; L181-Y207 WeakPolarHBondContact O-CD1 3.33Å; L181-Y207 PolarHBondContact O-N 3.36Å; E183-Y207 VanDerWaalsContact O-CE1 3.25Å; E183-Y207 WeakPolarHBondContact O-CE1 3.5Å; E183-Y207 VanDerWaalsContact O-CZ 3.3Å; E183-Y207 PolarHBondContact O-OH 3.13Å; I195-Y207 HydrophobicContact CB-CD1 4.46Å; I195-Y207 HydrophobicContact CD1-CE2 4.39Å; I195-Y207 HydrophobicContact CG1-CD1 3.88Å; I195-Y207 HydrophobicContact CG1-CD2 4.14Å; I195-Y207 HydrophobicContact CG1-CE1 4.01Å; I195-Y207 HydrophobicContact CG1-CE2 4.25Å; I195-Y207 HydrophobicContact CG1-CG 3.95Å; I195-Y207 HydrophobicContact CG2-CE1 4.31Å; Y207-V211 HydrophobicContact CD2-CB 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 3.47Å; Y207-V211 VanDerWaalsContact CD2-CG1 3.47Å; Y207-V211 HydrophobicContact CD2-CG2 4.2Å; Y207-V211 HydrophobicContact CE2-CG1 4.29Å; Y207-V211 HydrophobicContact CE2-CG2 4.4Å; Y207-V211 HydrophobicContact CG-CG1 3.88Å
208G96.8Very high95.1Very high1 Ų138.5 Ų38.51%0.0121%0.212CC..  trans-136.8-147.2-179.400000112.8E210 V211G208-E210 WeakPolarHBondContact CA-OE2 3.22Å; G208-E210 PolarHBondContact N-OE2 3.41Å; G208-E210 PolarHBondContact O-N 3.5Å; G208-V211 WeakPolarHBondContact O-CG2 3.22Å; G208-V211 PolarHBondContact O-N 2.91Å
209K97.5Very high95.4Very high61 Ų6138.2 Ų38.227%0.26521%0.21SC..THydrogen-bonded Turntrans-63.2-21.7-175.9-49.3-167.8-96.5-164.30113.1H142 D145 V147 L175 V211 D212H142-K209 HydrophobicContact CB-CD 3.93Å; H142-K209 PolarHBondContact CE1-O 3.02Å; H142-K209 PolarHBondContact NE2-O 3.06Å; H142-K209 PolarHBondContact O-NZ 2.93Å; D145-K209 IonicContact OD1-NZ 2.88Å; D145-K209 PolarHBondContact OD1-NZ 3.1Å; V147-K209 HydrophobicContact CG2-CB 4.08Å; V147-K209 HydrophobicContact CG2-CG 3.66Å; L175-K209 HydrophobicContact CD1-CG 4.04Å; K209-V211 PolarHBondContact O-N 3.24Å; K209-V211 VanDerWaalsContact O-N 3.15Å; K209-D212 PolarHBondContact O-N 2.87Å
210E98Very high95.8Very high58 Ų5835 Ų3527%0.27119%0.187SC..Hα-helixtrans-62.6-23.2-175.6-5481.7-178.900112.6K180 G208 D212 M213 W214 P273 R276K180-E210 IonicContact NZ-OE1 3.9Å; K180-E210 IonicContact NZ-OE2 3.86Å; G208-E210 WeakPolarHBondContact CA-OE2 3.22Å; G208-E210 PolarHBondContact N-OE2 3.41Å; G208-E210 PolarHBondContact O-N 3.5Å; E210-D212 VanDerWaalsContact C-N 3.31Å; E210-D212 PolarHBondContact O-N 3.22Å; E210-M213 WeakPolarHBondContact O-CB 3.42Å; E210-M213 PolarHBondContact O-N 2.83Å; E210-M213 VanDerWaalsContact O-N 3.14Å; E210-W214 PolarHBondContact O-N 3.17Å; E210-P273 HydrophobicContact CB-CB 3.85Å; E210-P273 HydrophobicContact CG-CB 4.12Å; E210-R276 VanDerWaalsContact C-NH1 3.32Å; E210-R276 WeakPolarHBondContact O-CD 3.43Å; E210-R276 PolarHBondContact O-NH1 3.17Å
211V98.4Very high96.2Very high1 Ų131.1 Ų31.11%0.00617%0.168CC..Hα-helixtrans-62.9-36.3178.7-56.90000112.5V147 A192 E194 I195 Y207 G208 K209 M213 W214 S215V147-V211 HydrophobicContact CG1-CG2 3.74Å; A192-V211 HydrophobicContact CB-CB 4.01Å; A192-V211 HydrophobicContact CB-CG1 3.97Å; E194-V211 HydrophobicContact CG-CG1 4.06Å; E194-V211 WeakPolarHBondContact OE1-CG1 3.46Å; I195-V211 HydrophobicContact CD1-CB 3.9Å; I195-V211 HydrophobicContact CD1-CG1 3.79Å; I195-V211 HydrophobicContact CD1-CG2 4.35Å; I195-V211 HydrophobicContact CG1-CB 4.39Å; I195-V211 HydrophobicContact CG1-CG1 3.72Å; Y207-V211 HydrophobicContact CD2-CB 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 3.47Å; Y207-V211 VanDerWaalsContact CD2-CG1 3.47Å; Y207-V211 HydrophobicContact CD2-CG2 4.2Å; Y207-V211 HydrophobicContact CE2-CG1 4.29Å; Y207-V211 HydrophobicContact CE2-CG2 4.4Å; Y207-V211 HydrophobicContact CG-CG1 3.88Å; G208-V211 WeakPolarHBondContact O-CG2 3.22Å; G208-V211 PolarHBondContact O-N 2.91Å; K209-V211 PolarHBondContact O-N 3.24Å; K209-V211 VanDerWaalsContact O-N 3.15Å; V211-M213 PolarHBondContact O-N 2.74Å; V211-W214 WeakPolarHBondContact O-CB 3.31Å; V211-W214 PolarHBondContact O-N 3.12Å; V211-W214 VanDerWaalsContact O-N 3.16Å; V211-S215 PolarHBondContact O-N 2.97Å; V211-S215 VanDerWaalsContact O-N 3.13Å; V211-S215 PolarHBondContact O-OG 2.77Å
212D98.7Very high96.6Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-64.4-32.7177.4-71.7-21.6000110.9I138 H142 V147 H148 R149 L151 K209 E210 S215 T216I138-D212 HydrophobicContact CG2-CB 4.41Å; H142-D212 IonicContact CD2-OD2 3.42Å; H142-D212 IonicContact CE1-OD2 2.72Å; H142-D212 IonicContact NE2-OD2 3.84Å; H142-D212 PolarHBondContact NE2-OD2 3.06Å; V147-D212 WeakPolarHBondContact CG1-OD2 3.23Å; H148-D212 PolarHBondContact N-OD1 3.25Å; H148-D212 PolarHBondContact N-OD2 3.22Å; R149-D212 PolarHBondContact N-OD1 2.88Å; L151-D212 HydrophobicContact CD1-CB 3.64Å; L151-D212 WeakPolarHBondContact CD1-O 3.21Å; K209-D212 PolarHBondContact O-N 2.87Å; E210-D212 VanDerWaalsContact C-N 3.31Å; E210-D212 PolarHBondContact O-N 3.22Å; D212-S215 PolarHBondContact O-N 3.46Å; D212-T216 VanDerWaalsContact O-CB 3.32Å; D212-T216 WeakPolarHBondContact O-CB 3.48Å; D212-T216 PolarHBondContact O-N 3.13Å; D212-T216 PolarHBondContact O-OG1 3.38Å
213M98.8Very high97.1Very high4 Ų421.5 Ų21.52%0.0212%0.116CC..Hα-helixtrans-69.5-34.6177.6-56.2-51.7-53.100111.8L135 I138 E210 V211 T216 G217 F268 R276 C277 A279 A282L135-M213 HydrophobicContact CD2-CE 3.75Å; I138-M213 HydrophobicContact CG2-SD 3.79Å; E210-M213 WeakPolarHBondContact O-CB 3.42Å; E210-M213 PolarHBondContact O-N 2.83Å; E210-M213 VanDerWaalsContact O-N 3.14Å; V211-M213 PolarHBondContact O-N 2.74Å; M213-T216 WeakPolarHBondContact O-CB 3.47Å; M213-G217 PolarHBondContact O-N 3.19Å; M213-G217 VanDerWaalsContact O-N 3.1Å; M213-F268 HydrophobicContact CE-CD1 3.83Å; M213-F268 HydrophobicContact CE-CE1 3.4Å; M213-F268 VanDerWaalsContact CE-CE1 3.4Å; M213-R276 HydrophobicContact CB-CG 4.21Å; M213-C277 WeakPolarHBondContact CG-O 3.49Å; M213-A279 HydrophobicContact CE-CB 4.16Å; M213-A279 HydrophobicContact SD-CB 3.93Å; M213-A282 HydrophobicContact CE-CB 4.44Å
214W98.8Very high97.3Very high0 Ų014.4 Ų14.40%08%0.079CC..Hα-helixtrans-64.7-52.3172.5176.3-87.4000111L191 A192 P193 E210 V211 T216 G217 V218 F230 I242 L269L191-W214 PolarHBondContact O-NE1 3.49Å; A192-W214 VanDerWaalsContact CA-CD1 3.48Å; A192-W214 HydrophobicContact CB-CB 3.73Å; A192-W214 HydrophobicContact CB-CD2 4.42Å; A192-W214 HydrophobicContact CB-CG 3.77Å; P193-W214 HydrophobicContact CG-CD2 4.46Å; P193-W214 HydrophobicContact CG-CE3 4.16Å; P193-W214 HydrophobicContact CG-CH2 3.58Å; P193-W214 HydrophobicContact CG-CZ2 3.92Å; P193-W214 HydrophobicContact CG-CZ3 3.71Å; E210-W214 PolarHBondContact O-N 3.17Å; V211-W214 WeakPolarHBondContact O-CB 3.31Å; V211-W214 PolarHBondContact O-N 3.12Å; V211-W214 VanDerWaalsContact O-N 3.16Å; W214-T216 PolarHBondContact O-N 2.88Å; W214-G217 WeakPolarHBondContact O-CA 3.3Å; W214-G217 PolarHBondContact O-N 3.33Å; W214-V218 PolarHBondContact O-N 2.96Å; W214-F230 HydrophobicContact CH2-CE2 4.03Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.21Å; W214-F230 AromaticContact CZ2-CE2 3.31Å; W214-F230 HydrophobicContact CZ2-CE2 3.31Å; W214-F230 AromaticContact CZ2-CZ 3.51Å; W214-F230 HydrophobicContact CZ2-CZ 3.51Å; W214-I242 HydrophobicContact CZ2-CG2 3.8Å; W214-L269 HydrophobicContact CD2-CD2 4.05Å; W214-L269 HydrophobicContact CE3-CD2 4.23Å; W214-L269 HydrophobicContact CZ2-CD2 4.39Å; W214-L269 HydrophobicContact CZ3-CB 4.39Å; W214-L269 HydrophobicContact CZ3-CD2 4.5Å
215S98.7Very high97.3Very high5 Ų513.4 Ų13.44%0.0358%0.075CC..Hα-helixtrans-58.7-35.7178.8-52.30000111.6Y190 V211 D212 G217 V218 I219Y190-S215 PolarHBondContact O-OG 3.27Å; V211-S215 PolarHBondContact O-N 2.97Å; V211-S215 VanDerWaalsContact O-N 3.13Å; V211-S215 PolarHBondContact O-OG 2.77Å; D212-S215 PolarHBondContact O-N 3.46Å; S215-G217 PolarHBondContact O-N 3.33Å; S215-V218 WeakPolarHBondContact O-CB 3.29Å; S215-V218 PolarHBondContact O-N 3.34Å; S215-I219 WeakPolarHBondContact O-CG1 3.1Å; S215-I219 PolarHBondContact O-N 3.16Å
216T98.7Very high97.2Very high0 Ų010 Ų100%06%0.059CC..Hα-helixtrans-61.1-41.4172-61.10000112.4M131 L134 L135 I138 D212 M213 W214 I219 M220 F268M131-T216 HydrophobicContact CE-CG2 3.3Å; L134-T216 HydrophobicContact CD2-CG2 4.31Å; L135-T216 HydrophobicContact CD2-CG2 3.91Å; L135-T216 HydrophobicContact CG-CG2 4.47Å; I138-T216 HydrophobicContact CD1-CG2 4.25Å; I138-T216 WeakPolarHBondContact CD1-OG1 3.46Å; D212-T216 VanDerWaalsContact O-CB 3.32Å; D212-T216 WeakPolarHBondContact O-CB 3.48Å; D212-T216 PolarHBondContact O-N 3.13Å; D212-T216 PolarHBondContact O-OG1 3.38Å; M213-T216 WeakPolarHBondContact O-CB 3.47Å; W214-T216 PolarHBondContact O-N 2.88Å; T216-I219 PolarHBondContact O-N 2.92Å; T216-M220 WeakPolarHBondContact O-CB 3.21Å; T216-M220 PolarHBondContact O-N 3.3Å; T216-F268 HydrophobicContact CG2-CE1 4.35Å; T216-F268 HydrophobicContact CG2-CE2 4.4Å; T216-F268 HydrophobicContact CG2-CZ 4.18Å
217G98.6Very high97Very high0 Ų012.2 Ų12.20%07%0.073CC..Hα-helixtrans-62.4-42.2172.100000113.1M213 W214 S215 M220 Y221M213-G217 PolarHBondContact O-N 3.19Å; M213-G217 VanDerWaalsContact O-N 3.1Å; W214-G217 WeakPolarHBondContact O-CA 3.3Å; W214-G217 PolarHBondContact O-N 3.33Å; S215-G217 PolarHBondContact O-N 3.33Å; G217-M220 PolarHBondContact O-N 2.86Å; G217-Y221 WeakPolarHBondContact O-CB 3.25Å; G217-Y221 PolarHBondContact O-N 2.79Å
218V98.7Very high96.9Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-62.8-44.8176179.90000110.5Y190 W214 S215 T222 P229 F230 L269Y190-V218 HydrophobicContact CD1-CB 3.8Å; Y190-V218 HydrophobicContact CD1-CG1 3.37Å; Y190-V218 HydrophobicContact CE1-CB 4.24Å; Y190-V218 HydrophobicContact CE1-CG1 3.52Å; Y190-V218 HydrophobicContact CG-CG1 4.2Å; W214-V218 PolarHBondContact O-N 2.96Å; S215-V218 WeakPolarHBondContact O-CB 3.29Å; S215-V218 PolarHBondContact O-N 3.34Å; V218-T222 WeakPolarHBondContact O-CB 3.42Å; V218-T222 PolarHBondContact O-N 3.32Å; V218-T222 PolarHBondContact O-OG1 3.14Å; V218-P229 HydrophobicContact CB-CG 4.39Å; V218-P229 HydrophobicContact CG1-CG 4.08Å; V218-P229 HydrophobicContact CG2-CG 4.25Å; V218-F230 HydrophobicContact CG2-CD2 4.45Å; V218-F230 HydrophobicContact CG2-CE2 4.24Å; V218-L269 HydrophobicContact CG2-CD2 3.82Å
219I98.7Very high96.9Very high0 Ų014.4 Ų14.40%09%0.088CC..Hα-helixtrans-58.3-53.1174.4-70.8160.6000110.1M131 L134 L151 P153 I156 Y190 S215 T216 Y221 T222 L223M131-I219 HydrophobicContact SD-CG2 4.19Å; L134-I219 HydrophobicContact CD2-CD1 4.16Å; L134-I219 HydrophobicContact CD2-CG2 4.4Å; L151-I219 HydrophobicContact CB-CD1 3.98Å; P153-I219 HydrophobicContact CG-CG1 4.31Å; I156-I219 HydrophobicContact CD1-CD1 4.08Å; I156-I219 HydrophobicContact CD1-CG2 4.45Å; Y190-I219 HydrophobicContact CD1-CG1 4.32Å; Y190-I219 HydrophobicContact CE1-CG1 4.07Å; S215-I219 WeakPolarHBondContact O-CG1 3.1Å; S215-I219 PolarHBondContact O-N 3.16Å; T216-I219 PolarHBondContact O-N 2.92Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.68Å; I219-T222 PolarHBondContact O-N 3.36Å; I219-L223 HydrophobicContact CG2-CD1 3.97Å; I219-L223 HydrophobicContact CG2-CG 4.18Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 3.22Å
220M98.6Very high96.9Very high0 Ų011.5 Ų11.50%08%0.075CC..Hα-helixtrans-59.3-44.5-177.6-172.6164.317300112.5T127 M131 T216 G217 T222 L223 L224 V261 L264 V265 F268 F287T127-M220 HydrophobicContact CG2-CG 4.16Å; M131-M220 HydrophobicContact CE-CB 3.71Å; M131-M220 HydrophobicContact CE-CG 4.26Å; M131-M220 HydrophobicContact CE-SD 4.21Å; M131-M220 HydrophobicContact CG-CB 4.3Å; M131-M220 HydrophobicContact CG-CG 3.99Å; M131-M220 HydrophobicContact CG-SD 4.04Å; M131-M220 HydrophobicContact SD-CB 3.84Å; M131-M220 HydrophobicContact SD-CG 4.2Å; T216-M220 WeakPolarHBondContact O-CB 3.21Å; T216-M220 PolarHBondContact O-N 3.3Å; G217-M220 PolarHBondContact O-N 2.86Å; M220-T222 VanDerWaalsContact C-N 3.32Å; M220-T222 PolarHBondContact O-N 3.11Å; M220-L223 PolarHBondContact O-N 3.33Å; M220-L224 HydrophobicContact CE-CD1 4.4Å; M220-L224 HydrophobicContact CG-CD1 4.24Å; M220-L224 WeakPolarHBondContact O-CD1 3.47Å; M220-L224 WeakPolarHBondContact O-CG 3.48Å; M220-L224 PolarHBondContact O-N 3.08Å; M220-V261 HydrophobicContact CE-CG2 3.26Å; M220-L264 HydrophobicContact CE-CB 4.36Å; M220-L264 HydrophobicContact CE-CD2 3.84Å; M220-L264 HydrophobicContact CE-CG 4.23Å; M220-L264 HydrophobicContact SD-CD2 4Å; M220-L264 HydrophobicContact SD-CG 4.14Å; M220-V265 HydrophobicContact CB-CG2 4.32Å; M220-V265 HydrophobicContact CE-CG2 4.19Å; M220-V265 HydrophobicContact CG-CG2 3.84Å; M220-V265 HydrophobicContact SD-CG2 4.09Å; M220-F268 HydrophobicContact SD-CD2 4.32Å; M220-F268 HydrophobicContact SD-CE2 3.79Å; M220-F287 HydrophobicContact CE-CD1 4.05Å; M220-F287 HydrophobicContact CE-CE1 3.66Å; M220-F287 HydrophobicContact CE-CE2 4.43Å; M220-F287 HydrophobicContact CE-CZ 3.89Å
221Y98.5Very high96.6Very high18 Ų1817 Ų177%0.0719%0.094CC..Hα-helixtrans-58.1-47.8174-176.3-72.7000110.5G217 I219 L223 L224 A225 S227 P229 Y247 Q248 F249 W254 V265G217-Y221 WeakPolarHBondContact O-CB 3.25Å; G217-Y221 PolarHBondContact O-N 2.79Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.68Å; Y221-L223 PolarHBondContact O-N 3.06Å; Y221-L224 PolarHBondContact O-N 3.32Å; Y221-A225 HydrophobicContact CD1-CB 3.92Å; Y221-A225 HydrophobicContact CE1-CB 3.55Å; Y221-A225 WeakPolarHBondContact O-CB 3.18Å; Y221-A225 PolarHBondContact O-N 3.01Å; Y221-S227 VanDerWaalsContact CD1-O 3.31Å; Y221-S227 WeakPolarHBondContact CD1-O 3.42Å; Y221-S227 VanDerWaalsContact CE1-O 3.3Å; Y221-S227 WeakPolarHBondContact CE1-O 3.37Å; Y221-P229 HydrophobicContact CD1-CB 3.71Å; Y221-P229 VanDerWaalsContact CD1-CD 3.43Å; Y221-P229 HydrophobicContact CD1-CG 3.98Å; Y221-P229 HydrophobicContact CD2-CB 3.81Å; Y221-P229 HydrophobicContact CD2-CG 4.47Å; Y221-P229 HydrophobicContact CE1-CB 3.89Å; Y221-P229 HydrophobicContact CE2-CB 4Å; Y221-P229 HydrophobicContact CG-CB 3.69Å; Y221-P229 HydrophobicContact CG-CG 3.93Å; Y221-Y247 HydrophobicContact CD2-CD2 4.36Å; Y221-Y247 HydrophobicContact CE2-CD2 4.12Å; Y221-Q248 PolarHBondContact OH-O 2.95Å; Y221-F249 HydrophobicContact CD2-CE1 4.15Å; Y221-F249 HydrophobicContact CE2-CD1 4.1Å; Y221-F249 HydrophobicContact CE2-CE1 4.16Å; Y221-W254 HydrophobicContact CD1-CZ2 4.06Å; Y221-W254 AromaticContact CD2-CH2 3.94Å; Y221-W254 HydrophobicContact CD2-CH2 3.94Å; Y221-W254 AromaticContact CD2-CZ2 3.36Å; Y221-W254 HydrophobicContact CD2-CZ2 3.36Å; Y221-W254 HydrophobicContact CE1-CZ2 4.05Å; Y221-W254 AromaticContact CE2-CE2 3.73Å; Y221-W254 HydrophobicContact CE2-CH2 4.26Å; Y221-W254 AromaticContact CE2-CZ2 3.33Å; Y221-W254 HydrophobicContact CE2-CZ2 3.33Å; Y221-W254 AromaticContact CE2-NE1 3.79Å; Y221-W254 HydrophobicContact CG-CH2 4.31Å; Y221-W254 AromaticContact CG-CZ2 3.72Å; Y221-W254 HydrophobicContact CG-CZ2 3.72Å; Y221-W254 AromaticContact CZ-CE2 3.87Å; Y221-W254 AromaticContact CZ-CZ2 3.69Å; Y221-W254 AromaticContact CZ-NE1 3.51Å; Y221-W254 PolarHBondContact OH-NE1 3.11Å; Y221-V265 HydrophobicContact CD2-CG1 4.06Å
222T97.2Very high96.3Very high9 Ų920.4 Ų20.46%0.05511%0.109CC..Hα-helixtrans-65.2-39.7-176.3-54.50000112.1L116 V218 I219 M220 L224 G226 P228L116-T222 HydrophobicContact CD2-CG2 3.8Å; V218-T222 WeakPolarHBondContact O-CB 3.42Å; V218-T222 PolarHBondContact O-N 3.32Å; V218-T222 PolarHBondContact O-OG1 3.14Å; I219-T222 PolarHBondContact O-N 3.36Å; M220-T222 VanDerWaalsContact C-N 3.32Å; M220-T222 PolarHBondContact O-N 3.11Å; T222-L224 VanDerWaalsContact C-N 3.27Å; T222-L224 PolarHBondContact O-N 3.1Å; T222-G226 VanDerWaalsContact O-CA 3.27Å; T222-G226 WeakPolarHBondContact O-CA 3.39Å; T222-G226 PolarHBondContact O-N 3.5Å; T222-P228 WeakPolarHBondContact OG1-CA 3.32Å
223L97.4Very high95.9Very high0 Ų031.3 Ų31.30%015%0.151CC..Hα-helixtrans-61.5-35.5176.2-66178.3000112.4L112 L116 L122 T127 I130 M131 I219 M220 Y221L112-L223 HydrophobicContact CD1-CD2 4.22Å; L112-L223 HydrophobicContact CD2-CD1 4.39Å; L112-L223 HydrophobicContact CD2-CD2 3.98Å; L112-L223 HydrophobicContact CG-CD2 4.06Å; L116-L223 HydrophobicContact CD1-CD2 4.42Å; L116-L223 HydrophobicContact CD2-CD2 4.28Å; L122-L223 HydrophobicContact CD1-CB 4.3Å; L122-L223 HydrophobicContact CD1-CD2 3.87Å; L122-L223 HydrophobicContact CD1-CG 4.45Å; L122-L223 PolarHBondContact N-O 3Å; T127-L223 HydrophobicContact CG2-CB 4.37Å; T127-L223 HydrophobicContact CG2-CD1 4.4Å; I130-L223 HydrophobicContact CG2-CD1 3.9Å; M131-L223 HydrophobicContact SD-CD1 4.06Å; I219-L223 HydrophobicContact CG2-CD1 3.97Å; I219-L223 HydrophobicContact CG2-CG 4.18Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 3.22Å; M220-L223 PolarHBondContact O-N 3.33Å; Y221-L223 PolarHBondContact O-N 3.06Å
224L95.9Very high95.6Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-83.8-47.1-178.6-66.6163.4000112.1T121 E124 T127 M220 Y221 T222 W254 Y257 V261T121-L224 WeakPolarHBondContact CG2-O 3.31Å; E124-L224 HydrophobicContact CG-CD2 4.37Å; T127-L224 HydrophobicContact CG2-CD1 4.38Å; T127-L224 HydrophobicContact CG2-CD2 4.07Å; T127-L224 HydrophobicContact CG2-CG 4.05Å; M220-L224 HydrophobicContact CE-CD1 4.4Å; M220-L224 HydrophobicContact CG-CD1 4.24Å; M220-L224 WeakPolarHBondContact O-CD1 3.47Å; M220-L224 WeakPolarHBondContact O-CG 3.48Å; M220-L224 PolarHBondContact O-N 3.08Å; Y221-L224 PolarHBondContact O-N 3.32Å; T222-L224 VanDerWaalsContact C-N 3.27Å; T222-L224 PolarHBondContact O-N 3.1Å; L224-W254 HydrophobicContact CB-CH2 3.9Å; L224-W254 HydrophobicContact CB-CZ2 4.38Å; L224-W254 HydrophobicContact CB-CZ3 4.28Å; L224-W254 HydrophobicContact CD1-CH2 3.87Å; L224-W254 HydrophobicContact CD1-CZ3 3.98Å; L224-Y257 HydrophobicContact CB-CD2 4.38Å; L224-Y257 HydrophobicContact CB-CE2 3.91Å; L224-Y257 HydrophobicContact CD2-CD1 3.99Å; L224-Y257 HydrophobicContact CD2-CE1 3.61Å; L224-Y257 HydrophobicContact CD2-CE2 4.47Å; L224-Y257 VanDerWaalsContact O-CE2 3.28Å; L224-Y257 WeakPolarHBondContact O-CE2 3.43Å; L224-Y257 PolarHBondContact O-OH 3.05Å; L224-V261 HydrophobicContact CD1-CG1 4.45Å; L224-V261 HydrophobicContact CD1-CG2 3.44Å; L224-V261 VanDerWaalsContact CD1-CG2 3.44Å; L224-V261 HydrophobicContact CD2-CG2 4.48Å
225A92.4Very high95.3Very high7 Ų743.5 Ų43.56%0.05821%0.205CC..Hα-helixtrans-84.6-16.1-175.300000113.7Y221 S227 W254Y221-A225 HydrophobicContact CD1-CB 3.92Å; Y221-A225 HydrophobicContact CE1-CB 3.55Å; Y221-A225 WeakPolarHBondContact O-CB 3.18Å; Y221-A225 PolarHBondContact O-N 3.01Å; A225-S227 PolarHBondContact O-N 3.09Å; A225-W254 HydrophobicContact CB-CZ2 3.84Å
226G90.4Very high95Very high34 Ų3447.8 Ų47.835%0.35123%0.226SC..SBendtrans69.84-172.500000114V120 T222V120-G226 WeakPolarHBondContact O-CA 3.32Å; T222-G226 VanDerWaalsContact O-CA 3.27Å; T222-G226 WeakPolarHBondContact O-CA 3.39Å; T222-G226 PolarHBondContact O-N 3.5Å
227S90.8Very high94.8Very high55 Ų5550.7 Ų50.739%0.38524%0.241SC..SBendtrans-146.9149.7179.855.90000110.1Y221 A225Y221-S227 VanDerWaalsContact CD1-O 3.31Å; Y221-S227 WeakPolarHBondContact CD1-O 3.42Å; Y221-S227 VanDerWaalsContact CE1-O 3.3Å; Y221-S227 WeakPolarHBondContact CE1-O 3.37Å; A225-S227 PolarHBondContact O-N 3.09Å
228P94.1Very high94.6Very high41 Ų4151.6 Ų51.627%0.26625%0.246SC..  trans-70.9150.5-178.327.5-33.8000112.2T222 F230 W231T222-P228 WeakPolarHBondContact OG1-CA 3.32Å; P228-F230 VanDerWaalsContact C-N 3.25Å; P228-F230 PolarHBondContact O-N 3.11Å; P228-W231 HydrophobicContact CG-CB 4.15Å
229P96.4Very high94.5Very high10 Ų1052.7 Ų52.77%0.06525%0.251CS..SBendtrans-65.4-28.9179.823.8-30.4000113.1V218 Y221 Y247 L269V218-P229 HydrophobicContact CB-CG 4.39Å; V218-P229 HydrophobicContact CG1-CG 4.08Å; V218-P229 HydrophobicContact CG2-CG 4.25Å; Y221-P229 HydrophobicContact CD1-CB 3.71Å; Y221-P229 VanDerWaalsContact CD1-CD 3.43Å; Y221-P229 HydrophobicContact CD1-CG 3.98Å; Y221-P229 HydrophobicContact CD2-CB 3.81Å; Y221-P229 HydrophobicContact CD2-CG 4.47Å; Y221-P229 HydrophobicContact CE1-CB 3.89Å; Y221-P229 HydrophobicContact CE2-CB 4Å; Y221-P229 HydrophobicContact CG-CB 3.69Å; Y221-P229 HydrophobicContact CG-CG 3.93Å; P229-Y247 HydrophobicContact CB-CG 4.41Å; P229-L269 HydrophobicContact CB-CD1 4.22Å; P229-L269 HydrophobicContact CG-CD1 4.17Å
230F96.3Very high94.3Very high0 Ų059.9 Ų59.90%028%0.278CS..SBendtrans-120.8109.2-179.8-45.8-72.1000109W214 V218 P228 M238 M241 I242 Y247 L269W214-F230 HydrophobicContact CH2-CE2 4.03Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.21Å; W214-F230 AromaticContact CZ2-CE2 3.31Å; W214-F230 HydrophobicContact CZ2-CE2 3.31Å; W214-F230 AromaticContact CZ2-CZ 3.51Å; W214-F230 HydrophobicContact CZ2-CZ 3.51Å; V218-F230 HydrophobicContact CG2-CD2 4.45Å; V218-F230 HydrophobicContact CG2-CE2 4.24Å; P228-F230 VanDerWaalsContact C-N 3.25Å; P228-F230 PolarHBondContact O-N 3.11Å; F230-M238 HydrophobicContact CB-CG 4.42Å; F230-M241 HydrophobicContact CB-CB 4.5Å; F230-M241 HydrophobicContact CD1-CB 4.09Å; F230-I242 HydrophobicContact CB-CD1 4.42Å; F230-I242 HydrophobicContact CB-CG1 3.68Å; F230-I242 HydrophobicContact CD1-CG1 4.32Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.66Å; F230-Y247 HydrophobicContact CE1-CD1 4.04Å; F230-Y247 HydrophobicContact CE1-CG 4.4Å; F230-Y247 AromaticContact CZ-CD1 3.89Å; F230-Y247 HydrophobicContact CZ-CD1 3.89Å; F230-Y247 HydrophobicContact CZ-CG 4.4Å; F230-L269 HydrophobicContact CE2-CD1 4.46Å; F230-L269 HydrophobicContact CE2-CD2 4.23Å; F230-L269 HydrophobicContact CZ-CD1 4.43Å
231W92.4Very high94.2Very high174 Ų17462.3 Ų62.366%0.65929%0.29SS*.  trans-145.5135176.2-172.488.2000111.5P228P228-W231 HydrophobicContact CG-CB 4.15Å
232H92.3Very high94.2Very high72 Ų7261.5 Ų61.533%0.33329%0.287SS..  trans-155.3143169.9-167.6-85.2000109.7K234 L237 M238 M241H232-K234 PolarHBondContact ND1-N 3.1Å; H232-K234 PolarHBondContact ND1-O 3.48Å; H232-K234 PolarHBondContact O-N 2.67Å; H232-K234 VanDerWaalsContact O-N 3.14Å; H232-L237 HydrophobicContact CB-CB 4.15Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.37Å; H232-M238 HydrophobicContact CB-CB 4.12Å; H232-M241 HydrophobicContact CB-SD 4.33Å
233R90.3Very high94.2Very high229 Ų22963.7 Ų63.786%0.86430%0.297SS*.SBendtrans-56-33.4178.8-176.5177.3178.5-178.71.3113.5
234K91.8Very high94.1Very high143 Ų14367.4 Ų67.462%0.62232%0.323SS*.SBendtrans-92.5114172.1-61-175.8179.3179.70109.4H232 M236 L237 M238H232-K234 PolarHBondContact ND1-N 3.1Å; H232-K234 PolarHBondContact ND1-O 3.48Å; H232-K234 PolarHBondContact O-N 2.67Å; H232-K234 VanDerWaalsContact O-N 3.14Å; K234-M236 VanDerWaalsContact C-N 3.28Å; K234-M236 PolarHBondContact O-N 2.84Å; K234-L237 HydrophobicContact CB-CB 4.45Å; K234-L237 HydrophobicContact CB-CD1 4.2Å; K234-L237 HydrophobicContact CB-CG 4.26Å; K234-L237 HydrophobicContact CD-CD1 4.12Å; K234-L237 PolarHBondContact O-N 3.17Å; K234-M238 PolarHBondContact O-N 3.03Å
235Q92.3Very high94.1Very high116 Ų11668.1 Ų68.154%0.54233%0.331SS..Hα-helixtrans-51.3-44.1-179.1-178.9174.2-32.500112.6L237 M238 L239Q235-L237 PolarHBondContact O-N 2.72Å; Q235-M238 HydrophobicContact CG-CE 3.99Å; Q235-M238 WeakPolarHBondContact O-CA 3.42Å; Q235-M238 WeakPolarHBondContact O-CB 3.49Å; Q235-M238 PolarHBondContact O-N 3.42Å; Q235-L239 HydrophobicContact CG-CD1 4.34Å; Q235-L239 HydrophobicContact CG-CG 4.31Å; Q235-L239 WeakPolarHBondContact O-CG 3.36Å; Q235-L239 PolarHBondContact O-N 3.41Å
236M92.6Very high94.1Very high96 Ų9673.6 Ų73.647%0.47336%0.355SS..Hα-helixtrans-61.5-29.6-179.5-167.557-173.100113.9M200 K234 L239 R240M200-M236 HydrophobicContact CE-CE 3.97Å; K234-M236 VanDerWaalsContact C-N 3.28Å; K234-M236 PolarHBondContact O-N 2.84Å; M236-L239 HydrophobicContact SD-CD1 4.28Å; M236-R240 WeakPolarHBondContact O-CG 3.23Å; M236-R240 PolarHBondContact O-N 2.92Å
237L94.8Very high94.3Very high61 Ų6174.1 Ų74.132%0.31935%0.347SS..Hα-helixtrans-76.9-36174.9-66.9178.9000111.5H232 K234 Q235 R240 M241H232-L237 HydrophobicContact CB-CB 4.15Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.37Å; K234-L237 HydrophobicContact CB-CB 4.45Å; K234-L237 HydrophobicContact CB-CD1 4.2Å; K234-L237 HydrophobicContact CB-CG 4.26Å; K234-L237 HydrophobicContact CD-CD1 4.12Å; K234-L237 PolarHBondContact O-N 3.17Å; Q235-L237 PolarHBondContact O-N 2.72Å; L237-R240 PolarHBondContact O-N 3.18Å; L237-M241 WeakPolarHBondContact O-CG 3.33Å; L237-M241 PolarHBondContact O-N 3.47Å
238M95.6Very high94.4Very high19 Ų1978.1 Ų78.19%0.09436%0.359CS..Hα-helixtrans-61.4-44.9171.2176.7-175.765.600111.1P188 F230 H232 K234 Q235 R240 M241 I242P188-M238 HydrophobicContact CB-CE 3.97Å; F230-M238 HydrophobicContact CB-CG 4.42Å; H232-M238 HydrophobicContact CB-CB 4.12Å; K234-M238 PolarHBondContact O-N 3.03Å; Q235-M238 HydrophobicContact CG-CE 3.99Å; Q235-M238 WeakPolarHBondContact O-CA 3.42Å; Q235-M238 WeakPolarHBondContact O-CB 3.49Å; Q235-M238 PolarHBondContact O-N 3.42Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 2.88Å; M238-M241 WeakPolarHBondContact O-CB 3.45Å; M238-M241 PolarHBondContact O-N 3.31Å; M238-M241 VanDerWaalsContact O-N 3.09Å; M238-I242 HydrophobicContact CG-CD1 4.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.28Å; M238-I242 PolarHBondContact O-N 3.03Å
239L95.2Very high94.3Very high22 Ų2279.1 Ų79.112%0.11536%0.359CS..Hα-helixtrans-60.5-38.8175.9-61.5-179.8000111.9I196 Q235 M236 I242 M243I196-L239 HydrophobicContact CD1-CB 4.34Å; I196-L239 HydrophobicContact CD1-CD2 3.78Å; I196-L239 HydrophobicContact CG1-CD2 4.34Å; Q235-L239 HydrophobicContact CG-CD1 4.34Å; Q235-L239 HydrophobicContact CG-CG 4.31Å; Q235-L239 WeakPolarHBondContact O-CG 3.36Å; Q235-L239 PolarHBondContact O-N 3.41Å; M236-L239 HydrophobicContact SD-CD1 4.28Å; L239-I242 HydrophobicContact CD2-CD1 4.36Å; L239-I242 WeakPolarHBondContact O-CB 3.24Å; L239-I242 PolarHBondContact O-N 3.21Å; L239-M243 WeakPolarHBondContact O-CG 3.46Å; L239-M243 PolarHBondContact O-N 2.79Å
240R95.6Very high93.6Very high152 Ų15279.5 Ų79.557%0.57437%0.365SS*.Hα-helixtrans-64.7-36.9173.1-73.9177.3-178.5-177.4-1.2113.2M236 L237 M238 S244M236-R240 WeakPolarHBondContact O-CG 3.23Å; M236-R240 PolarHBondContact O-N 2.92Å; L237-R240 PolarHBondContact O-N 3.18Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 2.88Å; R240-S244 WeakPolarHBondContact O-CB 3.4Å; R240-S244 PolarHBondContact O-N 3.31Å; R240-S244 PolarHBondContact O-OG 3.34Å
241M96.9Very high92.4Very high51 Ų5182.1 Ų82.125%0.25138%0.383SS..Hα-helixtrans-64.3-42173.6-66.8172.169.100111.4F230 H232 L237 M238 S244 G245 H246F230-M241 HydrophobicContact CB-CB 4.5Å; F230-M241 HydrophobicContact CD1-CB 4.09Å; H232-M241 HydrophobicContact CB-SD 4.33Å; L237-M241 WeakPolarHBondContact O-CG 3.33Å; L237-M241 PolarHBondContact O-N 3.47Å; M238-M241 WeakPolarHBondContact O-CB 3.45Å; M238-M241 PolarHBondContact O-N 3.31Å; M238-M241 VanDerWaalsContact O-N 3.09Å; M241-S244 PolarHBondContact O-N 2.76Å; M241-S244 PolarHBondContact O-OG 2.87Å; M241-S244 VanDerWaalsContact O-OG 3.11Å; M241-G245 PolarHBondContact O-N 3.35Å; M241-G245 VanDerWaalsContact O-N 3.08Å; M241-H246 PolarHBondContact O-N 2.91Å; M241-H246 VanDerWaalsContact O-N 3.07Å
242I97.5Very high91.8Very high0 Ų077.7 Ų77.70%038%0.377CS..Hα-helixtrans-60.3-53.5174.8-67.7168.2000109.9P188 L191 P193 I196 W214 F230 M238 L239 S244 G245P188-I242 WeakPolarHBondContact O-CD1 3.04Å; L191-I242 VanDerWaalsContact O-CG2 3.3Å; L191-I242 WeakPolarHBondContact O-CG2 3.22Å; P193-I242 HydrophobicContact CG-CG2 4.09Å; P193-I242 WeakPolarHBondContact CG-O 3.43Å; I196-I242 HydrophobicContact CD1-CB 3.97Å; I196-I242 HydrophobicContact CD1-CD1 4.33Å; I196-I242 HydrophobicContact CD1-CG2 3.51Å; W214-I242 HydrophobicContact CZ2-CG2 3.8Å; F230-I242 HydrophobicContact CB-CD1 4.42Å; F230-I242 HydrophobicContact CB-CG1 3.68Å; F230-I242 HydrophobicContact CD1-CG1 4.32Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.66Å; M238-I242 HydrophobicContact CG-CD1 4.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.28Å; M238-I242 PolarHBondContact O-N 3.03Å; L239-I242 HydrophobicContact CD2-CD1 4.36Å; L239-I242 WeakPolarHBondContact O-CB 3.24Å; L239-I242 PolarHBondContact O-N 3.21Å; I242-S244 PolarHBondContact O-N 3.22Å; I242-G245 PolarHBondContact O-N 3.22Å
243M96.3Very high91.2Very high55 Ų5579 Ų7927%0.27138%0.383SS..Hα-helixtrans-58.9-33.6-179.5-72.4-18067.100113.5I196 E197 M200 L239 G245I196-M243 HydrophobicContact CB-CG 4.3Å; I196-M243 HydrophobicContact CD1-CG 4.39Å; I196-M243 HydrophobicContact CG2-CG 3.98Å; I196-M243 HydrophobicContact CG2-SD 3.77Å; E197-M243 HydrophobicContact CG-CE 3.96Å; M200-M243 HydrophobicContact CE-SD 4.15Å; M200-M243 HydrophobicContact SD-CE 4.34Å; M200-M243 HydrophobicContact SD-SD 4.03Å; L239-M243 WeakPolarHBondContact O-CG 3.46Å; L239-M243 PolarHBondContact O-N 2.79Å; M243-G245 VanDerWaalsContact C-N 3.34Å
244S96.3Very high91Very high78 Ų7868.2 Ų68.255%0.54534%0.343SS..Hα-helixtrans-84-8176.554.10000113.8R240 M241 I242 H246R240-S244 WeakPolarHBondContact O-CB 3.4Å; R240-S244 PolarHBondContact O-N 3.31Å; R240-S244 PolarHBondContact O-OG 3.34Å; M241-S244 PolarHBondContact O-N 2.76Å; M241-S244 PolarHBondContact O-OG 2.87Å; M241-S244 VanDerWaalsContact O-OG 3.11Å; I242-S244 PolarHBondContact O-N 3.22Å; S244-H246 PolarHBondContact O-N 3.32Å; S244-H246 WeakPolarHBondContact OG-CB 3.42Å
245G95.9Very high90.5Very high15 Ų1563.4 Ų63.416%0.15532%0.324CS..THydrogen-bonded Turntrans59.526.6-172.400000113.1M241 I242 M243 Y247M241-G245 PolarHBondContact O-N 3.35Å; M241-G245 VanDerWaalsContact O-N 3.08Å; I242-G245 PolarHBondContact O-N 3.22Å; M243-G245 VanDerWaalsContact C-N 3.34Å; G245-Y247 VanDerWaalsContact O-CD1 3.27Å; G245-Y247 WeakPolarHBondContact O-CD1 3.38Å; G245-Y247 PolarHBondContact O-N 2.85Å
246H91.8Very high90Very high122 Ų12263.8 Ų63.857%0.56533%0.33SS*.  trans-8793-173.2-167.575.8000111.4M241 S244M241-H246 PolarHBondContact O-N 2.91Å; M241-H246 VanDerWaalsContact O-N 3.07Å; S244-H246 PolarHBondContact O-N 3.32Å; S244-H246 WeakPolarHBondContact OG-CB 3.42Å
247Y95.3Very high89.7Confident46 Ų4660.8 Ų60.818%0.1831%0.313CS..  trans-127.6165.217067.5-82.2000109.8Y221 P229 F230 G245 F249 S266 L269Y221-Y247 HydrophobicContact CD2-CD2 4.36Å; Y221-Y247 HydrophobicContact CE2-CD2 4.12Å; P229-Y247 HydrophobicContact CB-CG 4.41Å; F230-Y247 HydrophobicContact CE1-CD1 4.04Å; F230-Y247 HydrophobicContact CE1-CG 4.4Å; F230-Y247 AromaticContact CZ-CD1 3.89Å; F230-Y247 HydrophobicContact CZ-CD1 3.89Å; F230-Y247 HydrophobicContact CZ-CG 4.4Å; G245-Y247 VanDerWaalsContact O-CD1 3.27Å; G245-Y247 WeakPolarHBondContact O-CD1 3.38Å; G245-Y247 PolarHBondContact O-N 2.85Å; Y247-F249 HydrophobicContact CD2-CZ 4.48Å; Y247-F249 HydrophobicContact CE2-CE1 4.08Å; Y247-F249 AromaticContact CE2-CE2 4Å; Y247-F249 HydrophobicContact CE2-CE2 4Å; Y247-F249 AromaticContact CE2-CZ 3.65Å; Y247-F249 HydrophobicContact CE2-CZ 3.65Å; Y247-S266 VanDerWaalsContact OH-CA 3.24Å; Y247-S266 WeakPolarHBondContact OH-CA 3.39Å; Y247-S266 WeakPolarHBondContact OH-CB 3.05Å; Y247-S266 PolarHBondContact OH-OG 3.47Å; Y247-L269 HydrophobicContact CD1-CB 4.16Å; Y247-L269 HydrophobicContact CD1-CD1 4Å; Y247-L269 HydrophobicContact CD2-CD1 4.18Å; Y247-L269 HydrophobicContact CE1-CB 3.51Å; Y247-L269 HydrophobicContact CE1-CD1 3.98Å; Y247-L269 HydrophobicContact CE1-CG 4.41Å; Y247-L269 HydrophobicContact CE2-CD1 4.15Å; Y247-L269 HydrophobicContact CG-CD1 4.12Å
248Q92.9Very high89.5Confident138 Ų13859.7 Ų59.765%0.64531%0.311SS*.  trans-140.6142.2-177.861-178.910.400111.5Y221 G250Y221-Q248 PolarHBondContact OH-O 2.95Å; Q248-G250 PolarHBondContact O-N 3.38Å
249F92.4Very high89.3Confident62 Ų6264.4 Ų64.427%0.27234%0.336SS..  trans-83.470.1168.4-58.7-59.9000109.6Y221 Y247 W254 K262 V265 S266Y221-F249 HydrophobicContact CD2-CE1 4.15Å; Y221-F249 HydrophobicContact CE2-CD1 4.1Å; Y221-F249 HydrophobicContact CE2-CE1 4.16Å; Y247-F249 HydrophobicContact CD2-CZ 4.48Å; Y247-F249 HydrophobicContact CE2-CE1 4.08Å; Y247-F249 AromaticContact CE2-CE2 4Å; Y247-F249 HydrophobicContact CE2-CE2 4Å; Y247-F249 AromaticContact CE2-CZ 3.65Å; Y247-F249 HydrophobicContact CE2-CZ 3.65Å; F249-W254 HydrophobicContact CB-CB 3.97Å; F249-W254 HydrophobicContact CB-CD2 4.13Å; F249-W254 HydrophobicContact CB-CG 3.87Å; F249-W254 AromaticContact CD1-CD2 3.54Å; F249-W254 HydrophobicContact CD1-CD2 3.54Å; F249-W254 AromaticContact CD1-CE2 3.67Å; F249-W254 AromaticContact CD1-CE3 3.57Å; F249-W254 HydrophobicContact CD1-CE3 3.57Å; F249-W254 HydrophobicContact CD1-CG 4.18Å; F249-W254 AromaticContact CD1-CH2 3.88Å; F249-W254 HydrophobicContact CD1-CH2 3.88Å; F249-W254 AromaticContact CD1-CZ2 3.86Å; F249-W254 HydrophobicContact CD1-CZ2 3.86Å; F249-W254 AromaticContact CD1-CZ3 3.73Å; F249-W254 HydrophobicContact CD1-CZ3 3.73Å; F249-W254 HydrophobicContact CE1-CD2 4.42Å; F249-W254 HydrophobicContact CE1-CE3 4.15Å; F249-W254 AromaticContact CE1-CH2 3.81Å; F249-W254 HydrophobicContact CE1-CH2 3.81Å; F249-W254 HydrophobicContact CE1-CZ2 4.1Å; F249-W254 AromaticContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CG-CD2 4.28Å; F249-W254 HydrophobicContact CG-CE3 4.36Å; F249-K262 HydrophobicContact CB-CD 4.42Å; F249-K262 HydrophobicContact CD1-CG 4.13Å; F249-K262 HydrophobicContact CD2-CB 4.15Å; F249-K262 HydrophobicContact CD2-CD 4.39Å; F249-K262 HydrophobicContact CD2-CG 4.2Å; F249-K262 HydrophobicContact CE1-CB 4.33Å; F249-K262 HydrophobicContact CE1-CG 4.24Å; F249-K262 HydrophobicContact CE2-CB 3.85Å; F249-K262 HydrophobicContact CE2-CG 4.32Å; F249-K262 HydrophobicContact CG-CD 4.29Å; F249-K262 HydrophobicContact CG-CG 4.09Å; F249-K262 HydrophobicContact CZ-CB 3.94Å; F249-K262 HydrophobicContact CZ-CG 4.33Å; F249-K262 WeakPolarHBondContact CZ-O 3.28Å; F249-V265 HydrophobicContact CE1-CB 4.17Å; F249-V265 HydrophobicContact CE1-CG1 3.9Å; F249-V265 HydrophobicContact CZ-CB 4.06Å; F249-V265 HydrophobicContact CZ-CG1 3.97Å; F249-S266 WeakPolarHBondContact CE2-OG 3.43Å
250G82.1Confident89.2Confident18 Ų1865 Ų6519%0.18634%0.341CS..  trans-69.9151.3-173.700000113.8Q248 W254Q248-G250 PolarHBondContact O-N 3.38Å; G250-W254 WeakPolarHBondContact O-CB 3.21Å; G250-W254 VanDerWaalsContact O-CD1 3.31Å; G250-W254 PolarHBondContact O-N 3.49Å; G250-W254 VanDerWaalsContact O-N 3.08Å
251S69.3Low89.2Confident55 Ų5557.8 Ų57.839%0.38531%0.313SS..THydrogen-bonded Turntrans-86.1150.6168.8-59.10000111.3E253 D255 R302S251-E253 VanDerWaalsContact C-OE2 3.31Å; S251-D255 VanDerWaalsContact CB-OD1 3.31Å; S251-D255 WeakPolarHBondContact CB-OD1 3.46Å; S251-D255 PolarHBondContact OG-OD1 3.48Å; S251-R302 PolarHBondContact OG-NH1 2.89Å; S251-R302 PolarHBondContact OG-NH2 3.03Å
252P80.8Confident89.2Confident81 Ų8157.1 Ų57.153%0.52631%0.309SS..THydrogen-bonded Turncis-86-10.44.434-37.5000115.8W254 D255P252-W254 VanDerWaalsContact C-N 3.29Å; P252-W254 PolarHBondContact O-N 3.35Å; P252-D255 WeakPolarHBondContact O-CB 3.38Å; P252-D255 PolarHBondContact O-N 3.33Å
253E80.4Confident89.2Confident100 Ų10060.3 Ų60.347%0.46733%0.326SS..THydrogen-bonded Turntrans-62-35-167.6-63.271.9-157.100112.8S251 Y257S251-E253 VanDerWaalsContact C-OE2 3.31Å; E253-Y257 WeakPolarHBondContact O-CD2 3.49Å; E253-Y257 VanDerWaalsContact O-CE2 3.29Å; E253-Y257 WeakPolarHBondContact O-CE2 3.38Å
254W86.3Confident89.3Confident3 Ų357.7 Ų57.71%0.01131%0.313CS..THydrogen-bonded Turntrans-98.52.9-177.1-68.490.7000115.2Y221 L224 A225 F249 G250 P252 D256 Y257 K262Y221-W254 HydrophobicContact CD1-CZ2 4.06Å; Y221-W254 AromaticContact CD2-CH2 3.94Å; Y221-W254 HydrophobicContact CD2-CH2 3.94Å; Y221-W254 AromaticContact CD2-CZ2 3.36Å; Y221-W254 HydrophobicContact CD2-CZ2 3.36Å; Y221-W254 HydrophobicContact CE1-CZ2 4.05Å; Y221-W254 AromaticContact CE2-CE2 3.73Å; Y221-W254 HydrophobicContact CE2-CH2 4.26Å; Y221-W254 AromaticContact CE2-CZ2 3.33Å; Y221-W254 HydrophobicContact CE2-CZ2 3.33Å; Y221-W254 AromaticContact CE2-NE1 3.79Å; Y221-W254 HydrophobicContact CG-CH2 4.31Å; Y221-W254 AromaticContact CG-CZ2 3.72Å; Y221-W254 HydrophobicContact CG-CZ2 3.72Å; Y221-W254 AromaticContact CZ-CE2 3.87Å; Y221-W254 AromaticContact CZ-CZ2 3.69Å; Y221-W254 AromaticContact CZ-NE1 3.51Å; Y221-W254 PolarHBondContact OH-NE1 3.11Å; L224-W254 HydrophobicContact CB-CH2 3.9Å; L224-W254 HydrophobicContact CB-CZ2 4.38Å; L224-W254 HydrophobicContact CB-CZ3 4.28Å; L224-W254 HydrophobicContact CD1-CH2 3.87Å; L224-W254 HydrophobicContact CD1-CZ3 3.98Å; A225-W254 HydrophobicContact CB-CZ2 3.84Å; F249-W254 HydrophobicContact CB-CB 3.97Å; F249-W254 HydrophobicContact CB-CD2 4.13Å; F249-W254 HydrophobicContact CB-CG 3.87Å; F249-W254 AromaticContact CD1-CD2 3.54Å; F249-W254 HydrophobicContact CD1-CD2 3.54Å; F249-W254 AromaticContact CD1-CE2 3.67Å; F249-W254 AromaticContact CD1-CE3 3.57Å; F249-W254 HydrophobicContact CD1-CE3 3.57Å; F249-W254 HydrophobicContact CD1-CG 4.18Å; F249-W254 AromaticContact CD1-CH2 3.88Å; F249-W254 HydrophobicContact CD1-CH2 3.88Å; F249-W254 AromaticContact CD1-CZ2 3.86Å; F249-W254 HydrophobicContact CD1-CZ2 3.86Å; F249-W254 AromaticContact CD1-CZ3 3.73Å; F249-W254 HydrophobicContact CD1-CZ3 3.73Å; F249-W254 HydrophobicContact CE1-CD2 4.42Å; F249-W254 HydrophobicContact CE1-CE3 4.15Å; F249-W254 AromaticContact CE1-CH2 3.81Å; F249-W254 HydrophobicContact CE1-CH2 3.81Å; F249-W254 HydrophobicContact CE1-CZ2 4.1Å; F249-W254 AromaticContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CG-CD2 4.28Å; F249-W254 HydrophobicContact CG-CE3 4.36Å; G250-W254 WeakPolarHBondContact O-CB 3.21Å; G250-W254 VanDerWaalsContact O-CD1 3.31Å; G250-W254 PolarHBondContact O-N 3.49Å; G250-W254 VanDerWaalsContact O-N 3.08Å; P252-W254 VanDerWaalsContact C-N 3.29Å; P252-W254 PolarHBondContact O-N 3.35Å; W254-D256 VanDerWaalsContact C-N 3.29Å; W254-D256 PolarHBondContact O-N 2.87Å; W254-Y257 HydrophobicContact CD2-CD2 4.21Å; W254-Y257 AromaticContact CE3-CD2 3.78Å; W254-Y257 HydrophobicContact CE3-CD2 3.78Å; W254-Y257 HydrophobicContact CE3-CG 4.36Å; W254-Y257 HydrophobicContact CZ3-CD2 4.26Å; W254-K262 HydrophobicContact CE3-CG 3.94Å; W254-K262 HydrophobicContact CZ3-CG 4.14Å; W254-K262 VanDerWaalsContact O-CE 3.26Å; W254-K262 WeakPolarHBondContact O-CE 3.24Å; W254-K262 PolarHBondContact O-NZ 3.4Å
255D80.3Confident89.4Confident41 Ų4154 Ų5422%0.21929%0.287CS..THydrogen-bonded Turntrans-66-32.7-177.3-76.5-7.3000112.3S251 P252 R302S251-D255 VanDerWaalsContact CB-OD1 3.31Å; S251-D255 WeakPolarHBondContact CB-OD1 3.46Å; S251-D255 PolarHBondContact OG-OD1 3.48Å; P252-D255 WeakPolarHBondContact O-CB 3.38Å; P252-D255 PolarHBondContact O-N 3.33Å; D255-R302 IonicContact OD1-CZ 2.81Å; D255-R302 IonicContact OD1-NE 2.92Å; D255-R302 PolarHBondContact OD1-NE 3.5Å; D255-R302 IonicContact OD1-NH1 2.84Å; D255-R302 IonicContact OD1-NH2 2.8Å; D255-R302 IonicContact OD2-CZ 3.58Å; D255-R302 IonicContact OD2-NE 2.81Å; D255-R302 PolarHBondContact OD2-NE 3.19Å; D255-R302 IonicContact OD2-NH2 3.24Å; D255-R302 PolarHBondContact OD2-NH2 3.18Å
256D81.1Confident89.6Confident125 Ų12555.1 Ų55.167%0.66829%0.293SS*.THydrogen-bonded Turntrans-98.2-1.4-172-62.7-36.6000113.1W254 K306W254-D256 VanDerWaalsContact C-N 3.29Å; W254-D256 PolarHBondContact O-N 2.87Å; D256-K306 IonicContact OD1-NZ 3.79Å; D256-K306 IonicContact OD2-NZ 3.82Å
257Y86.4Confident89.9Confident33 Ų3355 Ų5513%0.12929%0.288CS..SBendtrans-95.8142.8177.1-65.8-54.5000112.9L122 E124 L224 E253 W254 V261 K262L122-Y257 PolarHBondContact O-OH 3.35Å; E124-Y257 HydrophobicContact CG-CD1 3.66Å; E124-Y257 HydrophobicContact CG-CE1 4.16Å; L224-Y257 HydrophobicContact CB-CD2 4.38Å; L224-Y257 HydrophobicContact CB-CE2 3.91Å; L224-Y257 HydrophobicContact CD2-CD1 3.99Å; L224-Y257 HydrophobicContact CD2-CE1 3.61Å; L224-Y257 HydrophobicContact CD2-CE2 4.47Å; L224-Y257 VanDerWaalsContact O-CE2 3.28Å; L224-Y257 WeakPolarHBondContact O-CE2 3.43Å; L224-Y257 PolarHBondContact O-OH 3.05Å; E253-Y257 WeakPolarHBondContact O-CD2 3.49Å; E253-Y257 VanDerWaalsContact O-CE2 3.29Å; E253-Y257 WeakPolarHBondContact O-CE2 3.38Å; W254-Y257 HydrophobicContact CD2-CD2 4.21Å; W254-Y257 AromaticContact CE3-CD2 3.78Å; W254-Y257 HydrophobicContact CE3-CD2 3.78Å; W254-Y257 HydrophobicContact CE3-CG 4.36Å; W254-Y257 HydrophobicContact CZ3-CD2 4.26Å; Y257-V261 HydrophobicContact CG-CG1 4.48Å; Y257-K262 WeakPolarHBondContact O-CE 3.3Å; Y257-K262 PolarHBondContact O-NZ 3.49Å
258S90.3Very high90Very high38 Ų3852.9 Ų52.927%0.26628%0.279SS..  trans-65.3154.2-178.364.10000113.2E124 T260 V261 K262E124-S258 VanDerWaalsContact OE1-CB 3.32Å; E124-S258 WeakPolarHBondContact OE1-CB 3.49Å; E124-S258 PolarHBondContact OE1-N 2.96Å; E124-S258 PolarHBondContact OE1-OG 3.37Å; E124-S258 PolarHBondContact OE2-OG 2.92Å; S258-T260 PolarHBondContact O-N 3.24Å; S258-V261 VanDerWaalsContact O-CG1 3.23Å; S258-V261 WeakPolarHBondContact O-CG1 3.29Å; S258-V261 PolarHBondContact O-N 2.98Å; S258-V261 PolarHBondContact OG-N 2.67Å; S258-K262 WeakPolarHBondContact O-CG 3.49Å; S258-K262 PolarHBondContact O-N 2.99Å
259D91.5Very high90.3Very high117 Ų11746.6 Ų46.663%0.62625%0.25SS*.Hα-helixtrans-66.1-25.6172.6-62.6-34.5000111.4V261 K262 D263D259-V261 PolarHBondContact O-N 3.03Å; D259-K262 PolarHBondContact O-N 3.16Å; D259-D263 WeakPolarHBondContact O-CB 3.38Å; D259-D263 PolarHBondContact O-N 3.48Å
260T94.7Very high90.6Very high35 Ų3545.4 Ų45.422%0.21525%0.248CC..Hα-helixtrans-62.3-41.9175.3-47.20000112.5S258 L264 H285 P286 F287S258-T260 PolarHBondContact O-N 3.24Å; T260-L264 PolarHBondContact O-N 2.95Å; T260-H285 PolarHBondContact O-CE1 3.29Å; T260-P286 HydrophobicContact CG2-CB 4.16Å; T260-F287 HydrophobicContact CG2-CB 4.08Å
261V95.4Very high91.3Very high0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-73.6-36.2179.2740000111.3E124 M220 L224 Y257 S258 D259 L264 V265 F287E124-V261 HydrophobicContact CG-CG1 4.37Å; E124-V261 WeakPolarHBondContact OE1-CG1 3.39Å; M220-V261 HydrophobicContact CE-CG2 3.26Å; L224-V261 HydrophobicContact CD1-CG1 4.45Å; L224-V261 HydrophobicContact CD1-CG2 3.44Å; L224-V261 VanDerWaalsContact CD1-CG2 3.44Å; L224-V261 HydrophobicContact CD2-CG2 4.48Å; Y257-V261 HydrophobicContact CG-CG1 4.48Å; S258-V261 VanDerWaalsContact O-CG1 3.23Å; S258-V261 WeakPolarHBondContact O-CG1 3.29Å; S258-V261 PolarHBondContact O-N 2.98Å; S258-V261 PolarHBondContact OG-N 2.67Å; D259-V261 PolarHBondContact O-N 3.03Å; V261-L264 PolarHBondContact O-N 3.38Å; V261-V265 WeakPolarHBondContact O-CG2 3.26Å; V261-V265 PolarHBondContact O-N 2.95Å; V261-V265 VanDerWaalsContact O-N 3.11Å; V261-F287 HydrophobicContact CB-CD2 3.96Å; V261-F287 HydrophobicContact CB-CE2 3.79Å; V261-F287 HydrophobicContact CG2-CD2 4.01Å; V261-F287 HydrophobicContact CG2-CE2 3.52Å; V261-F287 HydrophobicContact CG2-CZ 3.9Å
262K96.8Very high92.7Very high37 Ų3747.5 Ų47.516%0.16125%0.252CS..Hα-helixtrans-63.5-43.8174.8-66.6169.5-173.9164.40111.4F249 W254 Y257 S258 D259 L264 V265 S266F249-K262 HydrophobicContact CB-CD 4.42Å; F249-K262 HydrophobicContact CD1-CG 4.13Å; F249-K262 HydrophobicContact CD2-CB 4.15Å; F249-K262 HydrophobicContact CD2-CD 4.39Å; F249-K262 HydrophobicContact CD2-CG 4.2Å; F249-K262 HydrophobicContact CE1-CB 4.33Å; F249-K262 HydrophobicContact CE1-CG 4.24Å; F249-K262 HydrophobicContact CE2-CB 3.85Å; F249-K262 HydrophobicContact CE2-CG 4.32Å; F249-K262 HydrophobicContact CG-CD 4.29Å; F249-K262 HydrophobicContact CG-CG 4.09Å; F249-K262 HydrophobicContact CZ-CB 3.94Å; F249-K262 HydrophobicContact CZ-CG 4.33Å; F249-K262 WeakPolarHBondContact CZ-O 3.28Å; W254-K262 HydrophobicContact CE3-CG 3.94Å; W254-K262 HydrophobicContact CZ3-CG 4.14Å; W254-K262 VanDerWaalsContact O-CE 3.26Å; W254-K262 WeakPolarHBondContact O-CE 3.24Å; W254-K262 PolarHBondContact O-NZ 3.4Å; Y257-K262 WeakPolarHBondContact O-CE 3.3Å; Y257-K262 PolarHBondContact O-NZ 3.49Å; S258-K262 WeakPolarHBondContact O-CG 3.49Å; S258-K262 PolarHBondContact O-N 2.99Å; D259-K262 PolarHBondContact O-N 3.16Å; K262-L264 PolarHBondContact O-N 3.09Å; K262-V265 PolarHBondContact O-N 2.97Å; K262-S266 PolarHBondContact O-N 3.34Å; K262-S266 PolarHBondContact O-OG 3.41Å
263D97.9Very high93.5Very high67 Ų6745.2 Ų45.236%0.35824%0.237SC..Hα-helixtrans-57.7-46.4175.8-173.463000111.5D259 V265 S266 R267 H285D259-D263 WeakPolarHBondContact O-CB 3.38Å; D259-D263 PolarHBondContact O-N 3.48Å; D263-V265 PolarHBondContact O-N 2.9Å; D263-S266 PolarHBondContact O-N 3.03Å; D263-S266 VanDerWaalsContact O-N 3.16Å; D263-R267 WeakPolarHBondContact O-CG 3.42Å; D263-R267 PolarHBondContact O-N 3.23Å; D263-R267 IonicContact OD1-NE 3.06Å; D263-R267 IonicContact OD1-NH2 3.95Å; D263-R267 IonicContact OD2-CZ 3.7Å; D263-R267 VanDerWaalsContact OD2-CZ 3.24Å; D263-R267 IonicContact OD2-NE 3.5Å; D263-R267 PolarHBondContact OD2-NE 3.09Å; D263-R267 IonicContact OD2-NH2 3.79Å; D263-R267 PolarHBondContact OD2-NH2 3.46Å; D263-H285 IonicContact OD2-CE1 3.42Å; D263-H285 IonicContact OD2-NE2 3.76Å; D263-H285 PolarHBondContact OD2-NE2 2.9Å
264L98.3Very high94.2Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-62.7-44.7178.4-177.353.5000112.3M220 T260 V261 K262 S266 R267 F268 A282 H285 F287 F288M220-L264 HydrophobicContact CE-CB 4.36Å; M220-L264 HydrophobicContact CE-CD2 3.84Å; M220-L264 HydrophobicContact CE-CG 4.23Å; M220-L264 HydrophobicContact SD-CD2 4Å; M220-L264 HydrophobicContact SD-CG 4.14Å; T260-L264 PolarHBondContact O-N 2.95Å; V261-L264 PolarHBondContact O-N 3.38Å; K262-L264 PolarHBondContact O-N 3.09Å; L264-S266 PolarHBondContact O-N 2.63Å; L264-R267 PolarHBondContact O-N 3.45Å; L264-R267 VanDerWaalsContact O-N 3.13Å; L264-F268 HydrophobicContact CD1-CD2 4.41Å; L264-F268 HydrophobicContact CD1-CE1 4.45Å; L264-F268 HydrophobicContact CD1-CE2 3.73Å; L264-F268 HydrophobicContact CD1-CZ 3.75Å; L264-F268 HydrophobicContact CD2-CE2 4.22Å; L264-F268 HydrophobicContact CG-CD2 4.29Å; L264-F268 HydrophobicContact CG-CE2 3.62Å; L264-F268 HydrophobicContact CG-CZ 4.11Å; L264-F268 WeakPolarHBondContact O-CD2 3.31Å; L264-F268 PolarHBondContact O-N 3.13Å; L264-A282 HydrophobicContact CD1-CB 4.3Å; L264-H285 HydrophobicContact CD1-CB 4.04Å; L264-F287 HydrophobicContact CD2-CB 3.76Å; L264-F287 HydrophobicContact CD2-CD1 3.54Å; L264-F287 HydrophobicContact CD2-CE1 4.4Å; L264-F287 HydrophobicContact CD2-CG 3.89Å; L264-F288 HydrophobicContact CD2-CD2 4.24Å; L264-F288 HydrophobicContact CD2-CE2 3.49Å; L264-F288 VanDerWaalsContact CD2-CE2 3.49Å; L264-F288 HydrophobicContact CD2-CZ 3.97Å
265V98.5Very high94.7Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-58.5-40.9174.9172.40000110.7M220 Y221 F249 V261 K262 D263 R267 F268 L269M220-V265 HydrophobicContact CB-CG2 4.32Å; M220-V265 HydrophobicContact CE-CG2 4.19Å; M220-V265 HydrophobicContact CG-CG2 3.84Å; M220-V265 HydrophobicContact SD-CG2 4.09Å; Y221-V265 HydrophobicContact CD2-CG1 4.06Å; F249-V265 HydrophobicContact CE1-CB 4.17Å; F249-V265 HydrophobicContact CE1-CG1 3.9Å; F249-V265 HydrophobicContact CZ-CB 4.06Å; F249-V265 HydrophobicContact CZ-CG1 3.97Å; V261-V265 WeakPolarHBondContact O-CG2 3.26Å; V261-V265 PolarHBondContact O-N 2.95Å; V261-V265 VanDerWaalsContact O-N 3.11Å; K262-V265 PolarHBondContact O-N 2.97Å; D263-V265 PolarHBondContact O-N 2.9Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 3.45Å; V265-F268 PolarHBondContact O-N 2.96Å; V265-F268 VanDerWaalsContact O-N 3.17Å; V265-L269 HydrophobicContact CG1-CD1 3.83Å; V265-L269 HydrophobicContact CG1-CG 4.32Å; V265-L269 PolarHBondContact O-N 2.95Å
266S98.3Very high95.6Very high40 Ų4051.1 Ų51.128%0.2827%0.272SS..Hα-helixtrans-67.7-24.6177.9-67.20000114.7Y247 F249 K262 D263 L264 V270Y247-S266 VanDerWaalsContact OH-CA 3.24Å; Y247-S266 WeakPolarHBondContact OH-CA 3.39Å; Y247-S266 WeakPolarHBondContact OH-CB 3.05Å; Y247-S266 PolarHBondContact OH-OG 3.47Å; F249-S266 WeakPolarHBondContact CE2-OG 3.43Å; K262-S266 PolarHBondContact O-N 3.34Å; K262-S266 PolarHBondContact O-OG 3.41Å; D263-S266 PolarHBondContact O-N 3.03Å; D263-S266 VanDerWaalsContact O-N 3.16Å; L264-S266 PolarHBondContact O-N 2.63Å; S266-V270 WeakPolarHBondContact O-CG2 3.27Å
267R98.4Very high96.3Very high120 Ų12045.8 Ų45.845%0.45324%0.244SC..Hα-helixtrans-78.4-22.2172.7-66.6173.6-169.7-118.81.9113.4D263 L264 V265 C277D263-R267 WeakPolarHBondContact O-CG 3.42Å; D263-R267 PolarHBondContact O-N 3.23Å; D263-R267 IonicContact OD1-NE 3.06Å; D263-R267 IonicContact OD1-NH2 3.95Å; D263-R267 IonicContact OD2-CZ 3.7Å; D263-R267 VanDerWaalsContact OD2-CZ 3.24Å; D263-R267 IonicContact OD2-NE 3.5Å; D263-R267 PolarHBondContact OD2-NE 3.09Å; D263-R267 IonicContact OD2-NH2 3.79Å; D263-R267 PolarHBondContact OD2-NH2 3.46Å; L264-R267 PolarHBondContact O-N 3.45Å; L264-R267 VanDerWaalsContact O-N 3.13Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 3.45Å; R267-C277 VanDerWaalsContact C-SG 3.58Å; R267-C277 HydrophobicContact CB-CB 4.11Å; R267-C277 PolarHBondContact O-N 3.42Å; R267-C277 VanDerWaalsContact O-N 3.12Å; R267-C277 PolarHBondContact O-SG 3.26Å
268F98.6Very high96.9Very high0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-83.1-45.2171.9-66.3-50.2000112.3L135 M213 T216 M220 L264 V265 V270 R276 C277 A282L135-F268 HydrophobicContact CD1-CZ 4.14Å; L135-F268 HydrophobicContact CD2-CE1 4.03Å; L135-F268 HydrophobicContact CD2-CZ 3.92Å; M213-F268 HydrophobicContact CE-CD1 3.83Å; M213-F268 HydrophobicContact CE-CE1 3.4Å; M213-F268 VanDerWaalsContact CE-CE1 3.4Å; T216-F268 HydrophobicContact CG2-CE1 4.35Å; T216-F268 HydrophobicContact CG2-CE2 4.4Å; T216-F268 HydrophobicContact CG2-CZ 4.18Å; M220-F268 HydrophobicContact SD-CD2 4.32Å; M220-F268 HydrophobicContact SD-CE2 3.79Å; L264-F268 HydrophobicContact CD1-CD2 4.41Å; L264-F268 HydrophobicContact CD1-CE1 4.45Å; L264-F268 HydrophobicContact CD1-CE2 3.73Å; L264-F268 HydrophobicContact CD1-CZ 3.75Å; L264-F268 HydrophobicContact CD2-CE2 4.22Å; L264-F268 HydrophobicContact CG-CD2 4.29Å; L264-F268 HydrophobicContact CG-CE2 3.62Å; L264-F268 HydrophobicContact CG-CZ 4.11Å; L264-F268 WeakPolarHBondContact O-CD2 3.31Å; L264-F268 PolarHBondContact O-N 3.13Å; V265-F268 PolarHBondContact O-N 2.96Å; V265-F268 VanDerWaalsContact O-N 3.17Å; F268-V270 PolarHBondContact O-N 3.03Å; F268-R276 WeakPolarHBondContact O-CD 3.3Å; F268-R276 VanDerWaalsContact O-CG 3.23Å; F268-R276 WeakPolarHBondContact O-CG 3.38Å; F268-R276 PolarHBondContact O-NE 3.2Å; F268-C277 WeakPolarHBondContact CD1-SG 3.36Å; F268-C277 VanDerWaalsContact CE1-SG 3.52Å; F268-A282 HydrophobicContact CE1-CB 3.56Å; F268-A282 HydrophobicContact CZ-CB 3.66Å
269L98.6Very high97.3Very high7 Ų744.7 Ų44.74%0.03724%0.241CC..SBendtrans-85.752.6-175.3-60.6-177.3000112W214 V218 P229 F230 Y247 V265W214-L269 HydrophobicContact CD2-CD2 4.05Å; W214-L269 HydrophobicContact CE3-CD2 4.23Å; W214-L269 HydrophobicContact CZ2-CD2 4.39Å; W214-L269 HydrophobicContact CZ3-CB 4.39Å; W214-L269 HydrophobicContact CZ3-CD2 4.5Å; V218-L269 HydrophobicContact CG2-CD2 3.82Å; P229-L269 HydrophobicContact CB-CD1 4.22Å; P229-L269 HydrophobicContact CG-CD1 4.17Å; F230-L269 HydrophobicContact CE2-CD1 4.46Å; F230-L269 HydrophobicContact CE2-CD2 4.23Å; F230-L269 HydrophobicContact CZ-CD1 4.43Å; Y247-L269 HydrophobicContact CD1-CB 4.16Å; Y247-L269 HydrophobicContact CD1-CD1 4Å; Y247-L269 HydrophobicContact CD2-CD1 4.18Å; Y247-L269 HydrophobicContact CE1-CB 3.51Å; Y247-L269 HydrophobicContact CE1-CD1 3.98Å; Y247-L269 HydrophobicContact CE1-CG 4.41Å; Y247-L269 HydrophobicContact CE2-CD1 4.15Å; Y247-L269 HydrophobicContact CG-CD1 4.12Å; V265-L269 HydrophobicContact CG1-CD1 3.83Å; V265-L269 HydrophobicContact CG1-CG 4.32Å; V265-L269 PolarHBondContact O-N 2.95Å
270V98.4Very high97.6Very high37 Ų3744.3 Ų44.322%0.22424%0.236CC..  trans-101.3126175.3-177.10000109.1S266 F268 R276S266-V270 WeakPolarHBondContact O-CG2 3.27Å; F268-V270 PolarHBondContact O-N 3.03Å; V270-R276 HydrophobicContact CB-CB 4.32Å; V270-R276 HydrophobicContact CB-CG 4.48Å; V270-R276 PolarHBondContact O-NE 2.71Å; V270-R276 PolarHBondContact O-NH2 2.94Å
271V97.9Very high97.7Very high48 Ų4848.4 Ų48.429%0.29125%0.253SS..SBendtrans-62.8-49.5-177.2176.50000111.1P193 P273 R276P193-V271 HydrophobicContact CB-CG1 3.98Å; P193-V271 HydrophobicContact CG-CB 4.48Å; P193-V271 HydrophobicContact CG-CG1 4.18Å; P193-V271 HydrophobicContact CG-CG2 4.37Å; V271-P273 WeakPolarHBondContact O-CD 3.41Å; V271-R276 PolarHBondContact O-NH2 3.34Å
272N97.4Very high97.9Very high69 Ų6948.4 Ų48.437%0.36925%0.253SS..SBendtrans-68115.1175.2-178.24.3000110.5Q274 S275 R276N272-Q274 PolarHBondContact O-N 3.2Å; N272-Q274 PolarHBondContact OD1-N 2.84Å; N272-Q274 VanDerWaalsContact OD1-N 3.14Å; N272-S275 PolarHBondContact ND2-OG 3.06Å; N272-S275 PolarHBondContact O-N 3.45Å; N272-S275 VanDerWaalsContact O-N 3.11Å; N272-R276 PolarHBondContact O-N 3.4Å
273P97.1Very high97.9Very high32 Ų3248.4 Ų48.421%0.20825%0.254CS..G310 helixtrans-62.2-30.8-177.1-21.834.6000113E194 E210 V271 S275 R276E194-P273 HydrophobicContact CB-CG 3.98Å; E194-P273 VanDerWaalsContact CD-CG 3.4Å; E194-P273 HydrophobicContact CG-CG 3.84Å; E194-P273 WeakPolarHBondContact OE1-CG 3.43Å; E210-P273 HydrophobicContact CB-CB 3.85Å; E210-P273 HydrophobicContact CG-CB 4.12Å; V271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-S275 PolarHBondContact O-N 3.31Å; P273-R276 VanDerWaalsContact O-CB 3.29Å; P273-R276 WeakPolarHBondContact O-CB 3.27Å; P273-R276 PolarHBondContact O-N 2.84Å
274Q95.8Very high97.8Very high176 Ų17648.1 Ų48.182%0.82226%0.261SS*.G310 helixtrans-71.3-21.8-179.2-62.5158.90.900112.9N272N272-Q274 PolarHBondContact O-N 3.2Å; N272-Q274 PolarHBondContact OD1-N 2.84Å; N272-Q274 VanDerWaalsContact OD1-N 3.14Å
275S97.4Very high97.8Very high78 Ų7848.5 Ų48.555%0.54526%0.263SS..G310 helixtrans-97.4-3.9176.4-58.80000112.3N272 P273N272-S275 PolarHBondContact ND2-OG 3.06Å; N272-S275 PolarHBondContact O-N 3.45Å; N272-S275 VanDerWaalsContact O-N 3.11Å; P273-S275 PolarHBondContact O-N 3.31Å
276R98.1Very high97.6Very high14 Ų1451.5 Ų51.55%0.05328%0.283CS..SBendtrans-79134.6179.7-163.8178.2-60.3147.14.1109.3E194 E210 M213 F268 V270 V271 N272 P273E194-R276 IonicContact OE1-CZ 2.86Å; E194-R276 IonicContact OE1-NH1 3.8Å; E194-R276 PolarHBondContact OE1-NH1 2.85Å; E194-R276 IonicContact OE1-NH2 3.96Å; E194-R276 PolarHBondContact OE1-NH2 2.85Å; E194-R276 IonicContact OE2-CZ 2.85Å; E194-R276 IonicContact OE2-NH1 3.55Å; E194-R276 IonicContact OE2-NH2 2.93Å; E194-R276 PolarHBondContact OE2-NH2 3.29Å; E210-R276 VanDerWaalsContact C-NH1 3.32Å; E210-R276 WeakPolarHBondContact O-CD 3.43Å; E210-R276 PolarHBondContact O-NH1 3.17Å; M213-R276 HydrophobicContact CB-CG 4.21Å; F268-R276 WeakPolarHBondContact O-CD 3.3Å; F268-R276 VanDerWaalsContact O-CG 3.23Å; F268-R276 WeakPolarHBondContact O-CG 3.38Å; F268-R276 PolarHBondContact O-NE 3.2Å; V270-R276 HydrophobicContact CB-CB 4.32Å; V270-R276 HydrophobicContact CB-CG 4.48Å; V270-R276 PolarHBondContact O-NE 2.71Å; V270-R276 PolarHBondContact O-NH2 2.94Å; V271-R276 PolarHBondContact O-NH2 3.34Å; N272-R276 PolarHBondContact O-N 3.4Å; P273-R276 VanDerWaalsContact O-CB 3.29Å; P273-R276 WeakPolarHBondContact O-CB 3.27Å; P273-R276 PolarHBondContact O-N 2.84Å
277C97.1Very high97.5Very high14 Ų1449.7 Ų49.710%0.09527%0.27CS..PPolyproline II helixtrans-65.4143.4-179.267.50000111.9M213 R267 F268 E281M213-C277 WeakPolarHBondContact CG-O 3.49Å; R267-C277 VanDerWaalsContact C-SG 3.58Å; R267-C277 HydrophobicContact CB-CB 4.11Å; R267-C277 PolarHBondContact O-N 3.42Å; R267-C277 VanDerWaalsContact O-N 3.12Å; R267-C277 PolarHBondContact O-SG 3.26Å; F268-C277 WeakPolarHBondContact CD1-SG 3.36Å; F268-C277 VanDerWaalsContact CE1-SG 3.52Å; C277-E281 HydrophobicContact CB-CB 4.39Å
278S98.5Very high97.3Very high44 Ų4444.2 Ų44.231%0.30825%0.249SC..PPolyproline II helixtrans-78.1165.1171.864.80000111.8E280 E281 A282S278-E280 VanDerWaalsContact C-N 3.27Å; S278-E280 PolarHBondContact O-N 3.08Å; S278-E281 WeakPolarHBondContact CB-OE2 3.43Å; S278-E281 PolarHBondContact N-OE2 3.07Å; S278-E281 PolarHBondContact O-N 3.11Å; S278-E281 WeakPolarHBondContact OG-CB 3.38Å; S278-E281 VanDerWaalsContact OG-CD 3.23Å; S278-E281 VanDerWaalsContact OG-CG 3.22Å; S278-E281 WeakPolarHBondContact OG-CG 3.45Å; S278-E281 PolarHBondContact OG-N 2.91Å; S278-E281 PolarHBondContact OG-OE2 2.92Å; S278-A282 VanDerWaalsContact O-CB 3.27Å; S278-A282 WeakPolarHBondContact O-CB 3.31Å; S278-A282 PolarHBondContact O-N 3.3Å
279A98.1Very high96.7Very high3 Ų349.6 Ų49.63%0.02527%0.274CS..Hα-helixtrans-60.7-35.5176.700000112.9L135 I138 C139 M213 L283L135-A279 HydrophobicContact CD2-CB 4.36Å; I138-A279 HydrophobicContact CB-CB 4.33Å; I138-A279 HydrophobicContact CG2-CB 3.99Å; C139-A279 HydrophobicContact CB-CB 3.92Å; M213-A279 HydrophobicContact CE-CB 4.16Å; M213-A279 HydrophobicContact SD-CB 3.93Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.36Å; A279-L283 PolarHBondContact O-N 2.97Å
280E97.8Very high95Very high109 Ų10958.2 Ų58.251%0.50931%0.314SS..Hα-helixtrans-68.2-46.3177.7-65.1-171.2153.200111.8C139 K143 S278 A282 L283 A284C139-E280 VanDerWaalsContact SG-CG 3.55Å; K143-E280 WeakPolarHBondContact CE-OE1 3.36Å; K143-E280 IonicContact NZ-OE1 3.33Å; K143-E280 PolarHBondContact NZ-OE1 3.04Å; S278-E280 VanDerWaalsContact C-N 3.27Å; S278-E280 PolarHBondContact O-N 3.08Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.22Å; E280-L283 PolarHBondContact O-N 3.42Å; E280-A284 PolarHBondContact O-N 3.5Å; E280-A284 VanDerWaalsContact O-N 3.1Å
281E97.8Very high92.9Very high121 Ų12163.7 Ų63.757%0.56533%0.332SS*.Hα-helixtrans-63.1-40.2175.4-69.2165.1146.400111.5C277 S278 A284 H285C277-E281 HydrophobicContact CB-CB 4.39Å; S278-E281 WeakPolarHBondContact CB-OE2 3.43Å; S278-E281 PolarHBondContact N-OE2 3.07Å; S278-E281 PolarHBondContact O-N 3.11Å; S278-E281 WeakPolarHBondContact OG-CB 3.38Å; S278-E281 VanDerWaalsContact OG-CD 3.23Å; S278-E281 VanDerWaalsContact OG-CG 3.22Å; S278-E281 WeakPolarHBondContact OG-CG 3.45Å; S278-E281 PolarHBondContact OG-N 2.91Å; S278-E281 PolarHBondContact OG-OE2 2.92Å; E281-A284 PolarHBondContact O-N 3.31Å; E281-H285 PolarHBondContact O-N 3.39Å
282A98.1Very high90.6Very high1 Ų167.9 Ų67.91%0.00836%0.357CS..Hα-helixtrans-64.2-42.6176.600000111.9L135 M213 L264 F268 S278 E280 A284 H285 F288L135-A282 HydrophobicContact CD1-CB 3.93Å; L135-A282 HydrophobicContact CD2-CB 3.95Å; M213-A282 HydrophobicContact CE-CB 4.44Å; L264-A282 HydrophobicContact CD1-CB 4.3Å; F268-A282 HydrophobicContact CE1-CB 3.56Å; F268-A282 HydrophobicContact CZ-CB 3.66Å; S278-A282 VanDerWaalsContact O-CB 3.27Å; S278-A282 WeakPolarHBondContact O-CB 3.31Å; S278-A282 PolarHBondContact O-N 3.3Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.22Å; A282-A284 VanDerWaalsContact C-N 3.25Å; A282-A284 PolarHBondContact O-N 3.48Å; A282-H285 WeakPolarHBondContact O-CB 3.4Å; A282-H285 PolarHBondContact O-N 3.41Å; A282-H285 VanDerWaalsContact O-N 3.07Å; A282-F288 WeakPolarHBondContact O-CD2 3.48Å; A282-F288 WeakPolarHBondContact O-CE2 3.5Å
283L97.3Very high88.2Confident36 Ų3669.6 Ų69.619%0.18837%0.37CS..Hα-helixtrans-64.6-29.5175.5-77.8167000112.9R132 L135 E136 C139 A279 E280 H285R132-L283 HydrophobicContact CG-CD2 4.25Å; L135-L283 HydrophobicContact CB-CD1 4.24Å; L135-L283 HydrophobicContact CB-CD2 3.74Å; L135-L283 HydrophobicContact CB-CG 3.77Å; L135-L283 HydrophobicContact CD1-CD2 4.35Å; L135-L283 HydrophobicContact CD1-CG 4.45Å; E136-L283 HydrophobicContact CG-CD1 4.07Å; E136-L283 HydrophobicContact CG-CD2 4.04Å; C139-L283 HydrophobicContact CB-CD1 4.37Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.36Å; A279-L283 PolarHBondContact O-N 2.97Å; E280-L283 PolarHBondContact O-N 3.42Å; L283-H285 VanDerWaalsContact C-N 3.26Å; L283-H285 PolarHBondContact O-N 2.93Å
284A96.6Very high85.9Confident61 Ų6176.1 Ų76.150%0.50440%0.398SS..THydrogen-bonded Turntrans-77-10.2174.300000113.6E280 E281 A282 Q289E280-A284 PolarHBondContact O-N 3.5Å; E280-A284 VanDerWaalsContact O-N 3.1Å; E281-A284 PolarHBondContact O-N 3.31Å; A282-A284 VanDerWaalsContact C-N 3.25Å; A282-A284 PolarHBondContact O-N 3.48Å; A284-Q289 PolarHBondContact O-NE2 3.21Å
285H97.3Very high83.5Confident9 Ų975.2 Ų75.24%0.04239%0.394CS..SBendtrans-61.9144.5-176.8-170.2-95.7000112.7T260 D263 L264 E281 A282 L283 F287 F288 Q289T260-H285 PolarHBondContact O-CE1 3.29Å; D263-H285 IonicContact OD2-CE1 3.42Å; D263-H285 IonicContact OD2-NE2 3.76Å; D263-H285 PolarHBondContact OD2-NE2 2.9Å; L264-H285 HydrophobicContact CD1-CB 4.04Å; E281-H285 PolarHBondContact O-N 3.39Å; A282-H285 WeakPolarHBondContact O-CB 3.4Å; A282-H285 PolarHBondContact O-N 3.41Å; A282-H285 VanDerWaalsContact O-N 3.07Å; L283-H285 VanDerWaalsContact C-N 3.26Å; L283-H285 PolarHBondContact O-N 2.93Å; H285-F287 VanDerWaalsContact ND1-CB 3.27Å; H285-F287 WeakPolarHBondContact ND1-CB 3.36Å; H285-F287 PolarHBondContact ND1-N 3.24Å; H285-F287 VanDerWaalsContact ND1-N 3.11Å; H285-F287 PolarHBondContact O-N 2.6Å; H285-F288 HydrophobicContact CB-CD2 4.43Å; H285-F288 PolarHBondContact O-N 3.26Å; H285-Q289 PolarHBondContact O-N 3.03Å
286P95.1Very high81.4Confident63 Ų6376.4 Ų76.441%0.40940%0.397SS..THydrogen-bonded Turntrans-53.4-25.4178.7-29.936.5000115.1T260 F288 Q289T260-P286 HydrophobicContact CG2-CB 4.16Å; P286-F288 PolarHBondContact O-N 3.14Å; P286-Q289 PolarHBondContact O-N 3.42Å
287F95.5Very high79.4Confident1 Ų186.4 Ų86.40%0.00444%0.435CS..THydrogen-bonded Turntrans-56.1-33.5173.9-178.8-110.5000112.8E124 R128 M220 T260 V261 L264 H285E124-F287 HydrophobicContact CB-CE2 4.4Å; R128-F287 HydrophobicContact CB-CE1 3.73Å; R128-F287 HydrophobicContact CB-CE2 4.46Å; R128-F287 HydrophobicContact CB-CZ 3.65Å; R128-F287 VanDerWaalsContact CD-O 3.31Å; R128-F287 WeakPolarHBondContact CD-O 3.22Å; R128-F287 HydrophobicContact CG-CD1 4.34Å; R128-F287 HydrophobicContact CG-CE1 3.95Å; R128-F287 HydrophobicContact CG-CZ 4.22Å; R128-F287 PolarHBondContact NE-O 3.24Å; M220-F287 HydrophobicContact CE-CD1 4.05Å; M220-F287 HydrophobicContact CE-CE1 3.66Å; M220-F287 HydrophobicContact CE-CE2 4.43Å; M220-F287 HydrophobicContact CE-CZ 3.89Å; T260-F287 HydrophobicContact CG2-CB 4.08Å; V261-F287 HydrophobicContact CB-CD2 3.96Å; V261-F287 HydrophobicContact CB-CE2 3.79Å; V261-F287 HydrophobicContact CG2-CD2 4.01Å; V261-F287 HydrophobicContact CG2-CE2 3.52Å; V261-F287 HydrophobicContact CG2-CZ 3.9Å; L264-F287 HydrophobicContact CD2-CB 3.76Å; L264-F287 HydrophobicContact CD2-CD1 3.54Å; L264-F287 HydrophobicContact CD2-CE1 4.4Å; L264-F287 HydrophobicContact CD2-CG 3.89Å; H285-F287 VanDerWaalsContact ND1-CB 3.27Å; H285-F287 WeakPolarHBondContact ND1-CB 3.36Å; H285-F287 PolarHBondContact ND1-N 3.24Å; H285-F287 VanDerWaalsContact ND1-N 3.11Å; H285-F287 PolarHBondContact O-N 2.6Å
288F94.4Very high77.7Confident5 Ų593.6 Ų93.62%0.02247%0.467CS..THydrogen-bonded Turntrans-97-17.3-179.6-65-66.9000113.4R128 M131 R132 L135 L264 A282 H285 P286R128-F288 HydrophobicContact CG-CD1 3.86Å; R128-F288 HydrophobicContact CG-CE1 4.22Å; R128-F288 WeakPolarHBondContact O-CE1 3.27Å; M131-F288 HydrophobicContact CB-CE1 4.01Å; M131-F288 HydrophobicContact CB-CZ 3.84Å; R132-F288 HydrophobicContact CB-CD1 3.85Å; R132-F288 HydrophobicContact CB-CE1 3.81Å; R132-F288 PolarHBondContact NH2-O 3.08Å; L135-F288 HydrophobicContact CD1-CD2 4.46Å; L135-F288 HydrophobicContact CD1-CE1 4.47Å; L135-F288 HydrophobicContact CD1-CE2 3.39Å; L135-F288 HydrophobicContact CD1-CZ 3.4Å; L264-F288 HydrophobicContact CD2-CD2 4.24Å; L264-F288 HydrophobicContact CD2-CE2 3.49Å; L264-F288 VanDerWaalsContact CD2-CE2 3.49Å; L264-F288 HydrophobicContact CD2-CZ 3.97Å; A282-F288 WeakPolarHBondContact O-CD2 3.48Å; A282-F288 WeakPolarHBondContact O-CE2 3.5Å; H285-F288 HydrophobicContact CB-CD2 4.43Å; H285-F288 PolarHBondContact O-N 3.26Å; P286-F288 PolarHBondContact O-N 3.14Å
289Q86.1Confident76.4Confident113 Ų11398.2 Ų98.253%0.52848%0.482SS..SBendtrans-65.4140.4177.4-62.9179.96.400110.2A284 H285 P286 Y291A284-Q289 PolarHBondContact O-NE2 3.21Å; H285-Q289 PolarHBondContact O-N 3.03Å; P286-Q289 PolarHBondContact O-N 3.42Å; Q289-Y291 PolarHBondContact O-N 3.28Å; Q289-Y291 VanDerWaalsContact O-N 3.16Å
290Q63.6Low75.6Confident188 Ų188101 Ų10188%0.87950%0.501SS*.  trans-63.9118.5169.5-90.6179.6-1700107.7V292Q290-V292 PolarHBondContact O-N 3.39Å
291Y54.8Low74.6Confident152 Ų152100 Ų10060%0.59650%0.504SS*.  trans-59101.9167.1-90.5-97.8000108.5Q289 V293Q289-Y291 PolarHBondContact O-N 3.28Å; Q289-Y291 VanDerWaalsContact O-N 3.16Å; Y291-V293 PolarHBondContact O-N 2.98Å
292V48.2Very low73.7Confident136 Ų136100.6 Ų100.682%0.82450%0.501SS*.  trans-68.4108.9148.6-1760000103.7Q290 E294Q290-V292 PolarHBondContact O-N 3.39Å; V292-E294 PolarHBondContact O-N 3.22Å
293V47Very low72.7Confident106 Ų106101.9 Ų101.964%0.64251%0.514SS*.  trans-65.797.8-173.9-177.20000108.9Y291 E295Y291-V293 PolarHBondContact O-N 2.98Å; V293-E295 HydrophobicContact CG1-CB 4.36Å; V293-E295 HydrophobicContact CG1-CG 3.52Å
294E49.2Very low72Confident169 Ų169105.8 Ų105.879%0.7953%0.53SS*.  trans-87.3109.2140.9-80.2-171.5162.500106V292 V296V292-E294 PolarHBondContact O-N 3.22Å; E294-V296 VanDerWaalsContact C-N 3.29Å; E294-V296 PolarHBondContact O-N 3.14Å
295E45.7Very low71.7Confident157 Ų157110 Ų11073%0.73454%0.537SS*.  trans-63.988.4177.6-76.8-164.7135.600110.3V293V293-E295 HydrophobicContact CG1-CB 4.36Å; V293-E295 HydrophobicContact CG1-CG 3.52Å
296V52.9Low71.2Confident102 Ų102113.7 Ų113.762%0.61855%0.553SS**  trans-112.386.1162.8-168.60000107.4E294 H298E294-V296 VanDerWaalsContact C-N 3.29Å; E294-V296 PolarHBondContact O-N 3.14Å; V296-H298 PolarHBondContact O-N 3.09Å
297R56.8Low70.9Confident225 Ų225114.9 Ų114.985%0.84956%0.559SS**  trans-64.1106.2170.2-70-175.3-177.1-173.21.7108.5F299R297-F299 PolarHBondContact O-N 2.8Å
298H61.4Low70.8Confident165 Ų165119.3 Ų119.376%0.76458%0.582SS**  trans-63.6131.8170.7-78.3-76.9000110.6V296 S300V296-H298 PolarHBondContact O-N 3.09Å; H298-S300 PolarHBondContact O-N 3.01Å
299F71.3Confident70.7Confident141 Ų141120.9 Ų120.962%0.61860%0.596SS**  trans-75.2110.8-178.7174.3-94.6000110.5R297 P301 K304R297-F299 PolarHBondContact O-N 2.8Å; F299-P301 HydrophobicContact CD1-CG 4.09Å; F299-P301 HydrophobicContact CE1-CB 4.08Å; F299-P301 HydrophobicContact CE1-CG 3.76Å; F299-P301 WeakPolarHBondContact O-CD 3.46Å; F299-K304 HydrophobicContact CD2-CD 3.87Å; F299-K304 HydrophobicContact CE2-CD 3.25Å; F299-K304 HydrophobicContact CZ-CD 4.09Å
300S79.9Confident71Confident60 Ų60120.4 Ų120.442%0.4260%0.596SS.*  trans-93.6112168.3172.40000110.1H298 R302 G303 K304H298-S300 PolarHBondContact O-N 3.01Å; S300-R302 VanDerWaalsContact C-N 3.33Å; S300-R302 PolarHBondContact O-N 3.37Å; S300-G303 PolarHBondContact O-N 3.29Å; S300-G303 PolarHBondContact OG-N 2.73Å; S300-G303 VanDerWaalsContact OG-N 3.14Å; S300-K304 WeakPolarHBondContact O-CB 3.37Å; S300-K304 PolarHBondContact O-N 2.94Å
301P77.9Confident72.5Confident88 Ų88115.3 Ų115.357%0.57158%0.578SS**Hα-helixtrans-59.3-43-179.4-20.929.3000112.4F299 F305F299-P301 HydrophobicContact CD1-CG 4.09Å; F299-P301 HydrophobicContact CE1-CB 4.08Å; F299-P301 HydrophobicContact CE1-CG 3.76Å; F299-P301 WeakPolarHBondContact O-CD 3.46Å; P301-F305 WeakPolarHBondContact O-CB 3.29Å; P301-F305 PolarHBondContact O-N 2.89Å
302R77.9Confident74.4Confident135 Ų135112 Ų11251%0.50957%0.573SS.*Hα-helixtrans-70.9-42.7-179.3-174.9176.6170.9146.9-1.8112S251 D255 S300 K304 F305 K306S251-R302 PolarHBondContact OG-NH1 2.89Å; S251-R302 PolarHBondContact OG-NH2 3.03Å; D255-R302 IonicContact OD1-CZ 2.81Å; D255-R302 IonicContact OD1-NE 2.92Å; D255-R302 PolarHBondContact OD1-NE 3.5Å; D255-R302 IonicContact OD1-NH1 2.84Å; D255-R302 IonicContact OD1-NH2 2.8Å; D255-R302 IonicContact OD2-CZ 3.58Å; D255-R302 IonicContact OD2-NE 2.81Å; D255-R302 PolarHBondContact OD2-NE 3.19Å; D255-R302 IonicContact OD2-NH2 3.24Å; D255-R302 PolarHBondContact OD2-NH2 3.18Å; S300-R302 VanDerWaalsContact C-N 3.33Å; S300-R302 PolarHBondContact O-N 3.37Å; R302-K304 VanDerWaalsContact C-N 3.35Å; R302-K304 PolarHBondContact O-N 3.25Å; R302-F305 PolarHBondContact O-N 3.35Å; R302-K306 WeakPolarHBondContact O-CB 3.36Å; R302-K306 PolarHBondContact O-N 3.46Å
303G78.6Confident76.6Confident28 Ų28110.5 Ų110.529%0.28956%0.56SS.*Hα-helixtrans-60.9-44.717500000111.6S300 F305 K306 V307S300-G303 PolarHBondContact O-N 3.29Å; S300-G303 PolarHBondContact OG-N 2.73Å; S300-G303 VanDerWaalsContact OG-N 3.14Å; G303-F305 PolarHBondContact O-N 2.7Å; G303-K306 PolarHBondContact O-N 3.47Å; G303-V307 WeakPolarHBondContact O-CG2 3.23Å; G303-V307 PolarHBondContact O-N 3Å
304K82.7Confident78.7Confident118 Ų118107.7 Ų107.751%0.51355%0.548SS..Hα-helixtrans-64.5-40.7176.8-159.8170.8-172.1168.10112F299 S300 R302 V307 I308F299-K304 HydrophobicContact CD2-CD 3.87Å; F299-K304 HydrophobicContact CE2-CD 3.25Å; F299-K304 HydrophobicContact CZ-CD 4.09Å; S300-K304 WeakPolarHBondContact O-CB 3.37Å; S300-K304 PolarHBondContact O-N 2.94Å; R302-K304 VanDerWaalsContact C-N 3.35Å; R302-K304 PolarHBondContact O-N 3.25Å; K304-V307 PolarHBondContact O-N 3.28Å; K304-I308 HydrophobicContact CG-CD1 4.22Å; K304-I308 WeakPolarHBondContact O-CD1 3.34Å; K304-I308 VanDerWaalsContact O-CG1 3.23Å; K304-I308 WeakPolarHBondContact O-CG1 3.48Å; K304-I308 PolarHBondContact O-N 2.95Å
305F88.9Confident80.8Confident148 Ų148102.9 Ų102.965%0.64953%0.533SS*.Hα-helixtrans-61.5-45.3174.3-178.6-100.9000112.4P301 R302 G303 V307 I308 A309P301-F305 WeakPolarHBondContact O-CB 3.29Å; P301-F305 PolarHBondContact O-N 2.89Å; R302-F305 PolarHBondContact O-N 3.35Å; G303-F305 PolarHBondContact O-N 2.7Å; F305-V307 PolarHBondContact O-N 3.45Å; F305-I308 PolarHBondContact O-N 3.35Å; F305-A309 WeakPolarHBondContact O-CB 3.46Å; F305-A309 PolarHBondContact O-N 3.48Å
306K87.5Confident82.8Confident88 Ų8898.6 Ų98.638%0.38352%0.517SS..Hα-helixtrans-60.1-45.4177.6-171.6179.7176.8-173.60111.5D256 R302 G303 A309 L310D256-K306 IonicContact OD1-NZ 3.79Å; D256-K306 IonicContact OD2-NZ 3.82Å; R302-K306 WeakPolarHBondContact O-CB 3.36Å; R302-K306 PolarHBondContact O-N 3.46Å; G303-K306 PolarHBondContact O-N 3.47Å; K306-A309 PolarHBondContact O-N 3.02Å; K306-L310 HydrophobicContact CG-CD1 4.28Å; K306-L310 WeakPolarHBondContact O-CB 3.37Å; K306-L310 WeakPolarHBondContact O-CG 3.35Å; K306-L310 PolarHBondContact O-N 3.46Å
307V88.8Confident84.4Confident88 Ų88102.9 Ų102.953%0.53352%0.522SS..Hα-helixtrans-62.9-43.8176.7173.10000111.4G303 K304 F305 L310 T311G303-V307 WeakPolarHBondContact O-CG2 3.23Å; G303-V307 PolarHBondContact O-N 3Å; K304-V307 PolarHBondContact O-N 3.28Å; F305-V307 PolarHBondContact O-N 3.45Å; V307-L310 PolarHBondContact O-N 2.95Å; V307-T311 WeakPolarHBondContact O-CB 3.46Å; V307-T311 PolarHBondContact O-N 2.81Å; V307-T311 PolarHBondContact O-OG1 2.81Å
308I93.4Very high85.7Confident94 Ų9497.6 Ų97.648%0.48251%0.51SS..Hα-helixtrans-59.8-48.9176-70.7165.4000110.4K304 F305 L310 T311 V312K304-I308 HydrophobicContact CG-CD1 4.22Å; K304-I308 WeakPolarHBondContact O-CD1 3.34Å; K304-I308 VanDerWaalsContact O-CG1 3.23Å; K304-I308 WeakPolarHBondContact O-CG1 3.48Å; K304-I308 PolarHBondContact O-N 2.95Å; F305-I308 PolarHBondContact O-N 3.35Å; I308-L310 PolarHBondContact O-N 2.9Å; I308-T311 PolarHBondContact O-N 3.29Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 2.99Å
309A92.9Very high86.8Confident38 Ų3895.5 Ų95.531%0.31450%0.496SS..Hα-helixtrans-60.5-45.9-179.900000112.2F305 K306 T311 V312 L313F305-A309 WeakPolarHBondContact O-CB 3.46Å; F305-A309 PolarHBondContact O-N 3.48Å; K306-A309 PolarHBondContact O-N 3.02Å; A309-T311 VanDerWaalsContact C-N 3.34Å; A309-T311 PolarHBondContact O-N 2.8Å; A309-V312 PolarHBondContact O-N 3.43Å; A309-L313 WeakPolarHBondContact O-CG 3.34Å; A309-L313 PolarHBondContact O-N 2.89Å
310L92Very high87.2Confident103 Ų10395.7 Ų95.754%0.53949%0.494SS..Hα-helixtrans-62.9-40.2176.9-72.6172.4000112.1K306 V307 I308 L313 A314K306-L310 HydrophobicContact CG-CD1 4.28Å; K306-L310 WeakPolarHBondContact O-CB 3.37Å; K306-L310 WeakPolarHBondContact O-CG 3.35Å; K306-L310 PolarHBondContact O-N 3.46Å; V307-L310 PolarHBondContact O-N 2.95Å; I308-L310 PolarHBondContact O-N 2.9Å; L310-L313 PolarHBondContact O-N 3.3Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.91Å
311T94.8Very high86.9Confident80 Ų80100.3 Ų100.349%0.49151%0.508SS..Hα-helixtrans-62.9-43.2177.6-56.50000111.2V307 I308 A309 S315V307-T311 WeakPolarHBondContact O-CB 3.46Å; V307-T311 PolarHBondContact O-N 2.81Å; V307-T311 PolarHBondContact O-OG1 2.81Å; I308-T311 PolarHBondContact O-N 3.29Å; A309-T311 VanDerWaalsContact C-N 3.34Å; A309-T311 PolarHBondContact O-N 2.8Å; T311-S315 WeakPolarHBondContact O-CB 3.39Å; T311-S315 PolarHBondContact O-N 3.35Å; T311-S315 PolarHBondContact O-OG 3.25Å
312V95.4Very high86.5Confident82 Ų82106 Ų10650%0.49752%0.52SS..Hα-helixtrans-63.4-48.1175.4172.60000110.7I308 A309 A314 S315 V316I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 2.99Å; A309-V312 PolarHBondContact O-N 3.43Å; V312-A314 PolarHBondContact O-N 3.49Å; V312-S315 PolarHBondContact O-N 2.89Å; V312-V316 HydrophobicContact CG1-CG2 4.34Å; V312-V316 WeakPolarHBondContact O-CB 3.33Å; V312-V316 VanDerWaalsContact O-CG2 3.29Å; V312-V316 WeakPolarHBondContact O-CG2 3.25Å; V312-V316 PolarHBondContact O-N 3.48Å
313L93.3Very high86.1Confident105 Ų105108 Ų10855%0.5553%0.528SS..Hα-helixtrans-60.5-42.9179.3-72.4171.2000112.5A309 L310 V316 R317A309-L313 WeakPolarHBondContact O-CG 3.34Å; A309-L313 PolarHBondContact O-N 2.89Å; L310-L313 PolarHBondContact O-N 3.3Å; L313-V316 PolarHBondContact O-N 3.44Å; L313-R317 WeakPolarHBondContact O-CG 3.25Å; L313-R317 PolarHBondContact O-N 2.86Å
314A92.3Very high85.3Confident47 Ų47116.1 Ų116.139%0.38855%0.549SS..Hα-helixtrans-63.2-45.8175.500000111.4L310 V312 V316 R317 I318L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.91Å; V312-A314 PolarHBondContact O-N 3.49Å; A314-V316 VanDerWaalsContact C-N 3.34Å; A314-V316 PolarHBondContact O-N 2.9Å; A314-R317 PolarHBondContact O-N 3.39Å; A314-I318 VanDerWaalsContact O-CG1 3.29Å; A314-I318 WeakPolarHBondContact O-CG1 3.46Å; A314-I318 PolarHBondContact O-N 3.43Å
315S91.9Very high84.2Confident68 Ų68117.1 Ų117.148%0.47657%0.565SS.*Hα-helixtrans-60.2-43.5178.1-59.10000111.9T311 V312 I318 Y319T311-S315 WeakPolarHBondContact O-CB 3.39Å; T311-S315 PolarHBondContact O-N 3.35Å; T311-S315 PolarHBondContact O-OG 3.25Å; V312-S315 PolarHBondContact O-N 2.89Å; S315-I318 PolarHBondContact O-N 3.49Å; S315-Y319 VanDerWaalsContact O-CB 3.28Å; S315-Y319 WeakPolarHBondContact O-CB 3.27Å; S315-Y319 PolarHBondContact O-N 2.96Å
316V88.3Confident82.8Confident67 Ų67119 Ų11941%0.40657%0.573SS.*Hα-helixtrans-63.9-44.3176.4171.10000111.1V312 L313 A314 Y319 Y320V312-V316 HydrophobicContact CG1-CG2 4.34Å; V312-V316 WeakPolarHBondContact O-CB 3.33Å; V312-V316 VanDerWaalsContact O-CG2 3.29Å; V312-V316 WeakPolarHBondContact O-CG2 3.25Å; V312-V316 PolarHBondContact O-N 3.48Å; L313-V316 PolarHBondContact O-N 3.44Å; A314-V316 VanDerWaalsContact C-N 3.34Å; A314-V316 PolarHBondContact O-N 2.9Å; V316-Y319 PolarHBondContact O-N 2.99Å; V316-Y320 HydrophobicContact CG1-CD2 3.6Å; V316-Y320 HydrophobicContact CG1-CE2 3.63Å; V316-Y320 VanDerWaalsContact O-CD2 3.25Å; V316-Y320 WeakPolarHBondContact O-CD2 3.31Å; V316-Y320 PolarHBondContact O-N 3.42Å
317R85.8Confident81.7Confident192 Ų192120 Ų12073%0.72559%0.588SS**Hα-helixtrans-61.5-46.2176.1-78.5-179.5178.5173.90.7112.1L313 A314 Y319 Y320 Q321L313-R317 WeakPolarHBondContact O-CG 3.25Å; L313-R317 PolarHBondContact O-N 2.86Å; A314-R317 PolarHBondContact O-N 3.39Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; R317-Y319 PolarHBondContact O-N 3.34Å; R317-Y320 PolarHBondContact O-N 3.23Å; R317-Q321 VanDerWaalsContact O-CB 3.25Å; R317-Q321 WeakPolarHBondContact O-CB 3.29Å; R317-Q321 PolarHBondContact O-N 3Å
318I85.4Confident80.6Confident115 Ų115119.7 Ų119.759%0.5959%0.587SS**Hα-helixtrans-60.3-46176.6-68.4166.1000110.2A314 S315 Y320 Q321 Y322A314-I318 VanDerWaalsContact O-CG1 3.29Å; A314-I318 WeakPolarHBondContact O-CG1 3.46Å; A314-I318 PolarHBondContact O-N 3.43Å; S315-I318 PolarHBondContact O-N 3.49Å; I318-Y320 PolarHBondContact O-N 2.89Å; I318-Q321 PolarHBondContact O-N 3.23Å; I318-Y322 WeakPolarHBondContact O-CB 3.24Å; I318-Y322 PolarHBondContact O-N 2.97Å
319Y84.6Confident79.7Confident120 Ų120118.1 Ų118.147%0.47158%0.582SS.*Hα-helixtrans-58.3-48.6177.7177.3-96.2000112.4S315 V316 R317 Y322 R323S315-Y319 VanDerWaalsContact O-CB 3.28Å; S315-Y319 WeakPolarHBondContact O-CB 3.27Å; S315-Y319 PolarHBondContact O-N 2.96Å; V316-Y319 PolarHBondContact O-N 2.99Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; R317-Y319 PolarHBondContact O-N 3.34Å; Y319-Y322 PolarHBondContact O-N 3.02Å; Y319-R323 PolarHBondContact O-N 2.88Å; Y319-R323 VanDerWaalsContact O-N 3.12Å; Y319-R323 VanDerWaalsContact OH-CZ 3.27Å; Y319-R323 PolarHBondContact OH-NE 3.49Å; Y319-R323 PolarHBondContact OH-NH1 2.97Å
320Y77.9Confident78.9Confident146 Ų146126 Ų12657%0.57360%0.603SS**Hα-helixtrans-68.6-33.6177.4-82.9-68.8000112.8V316 R317 I318 R323 R324V316-Y320 HydrophobicContact CG1-CD2 3.6Å; V316-Y320 HydrophobicContact CG1-CE2 3.63Å; V316-Y320 VanDerWaalsContact O-CD2 3.25Å; V316-Y320 WeakPolarHBondContact O-CD2 3.31Å; V316-Y320 PolarHBondContact O-N 3.42Å; R317-Y320 PolarHBondContact O-N 3.23Å; I318-Y320 PolarHBondContact O-N 2.89Å; Y320-R323 PolarHBondContact O-N 3.19Å; Y320-R324 WeakPolarHBondContact O-CB 3.49Å; Y320-R324 VanDerWaalsContact O-CG 3.32Å; Y320-R324 WeakPolarHBondContact O-CG 3.23Å; Y320-R324 PolarHBondContact O-N 3.49Å
321Q74.4Confident78.2Confident156 Ų156128.5 Ų128.573%0.72961%0.612SS**Hα-helixtrans-69.9-35.9176.7-173.1153.8-11.700112.2R317 I318R317-Q321 VanDerWaalsContact O-CB 3.25Å; R317-Q321 WeakPolarHBondContact O-CB 3.29Å; R317-Q321 PolarHBondContact O-N 3Å; I318-Q321 PolarHBondContact O-N 3.23Å
322Y70.8Confident77Confident207 Ų207128.7 Ų128.781%0.81261%0.609SS**Hα-helixtrans-71.5-31.5175.9-153.5-89.4000112.5I318 Y319I318-Y322 WeakPolarHBondContact O-CB 3.24Å; I318-Y322 PolarHBondContact O-N 2.97Å; Y319-Y322 PolarHBondContact O-N 3.02Å
323R69.4Low76.2Confident178 Ų178127.1 Ų127.167%0.67260%0.6SS**Hα-helixtrans-95.2-7179.4-68.9-156.9177.5-1593115.2Y319 Y320 V325Y319-R323 PolarHBondContact O-N 2.88Å; Y319-R323 VanDerWaalsContact O-N 3.12Å; Y319-R323 VanDerWaalsContact OH-CZ 3.27Å; Y319-R323 PolarHBondContact OH-NE 3.49Å; Y319-R323 PolarHBondContact OH-NH1 2.97Å; Y320-R323 PolarHBondContact O-N 3.19Å; R323-V325 PolarHBondContact O-N 3.27Å
324R61.5Low75.7Confident198 Ų198127.4 Ų127.475%0.74760%0.601SS**SBendtrans-68.6124.1168.7-90.9-178.7166.3-164.7-3.9108.8Y320 K326Y320-R324 WeakPolarHBondContact O-CB 3.49Å; Y320-R324 VanDerWaalsContact O-CG 3.32Å; Y320-R324 WeakPolarHBondContact O-CG 3.23Å; Y320-R324 PolarHBondContact O-N 3.49Å; R324-K326 PolarHBondContact O-N 3.35Å
325V58.4Low75.2Confident140 Ų140135.8 Ų135.885%0.84862%0.623SS**PPolyproline II helixtrans-52.7124.3170.4-179.40000107.9R323R323-V325 PolarHBondContact O-N 3.27Å
326K60.3Low74.6Confident187 Ų187136.1 Ų136.181%0.81362%0.619SS**PPolyproline II helixtrans-55.7135.7-179.6-67.6-177.1-179.7-1800109.4R324 V328R324-K326 PolarHBondContact O-N 3.35Å; K326-V328 PolarHBondContact O-N 2.94Å
327P64Low74.1Confident108 Ų108134.7 Ų134.770%0.70161%0.611SS**PPolyproline II helixtrans-59.7141.2178.623-30.9000110.1T329P327-T329 PolarHBondContact O-N 3.12Å
328V65.4Low73.7Confident83 Ų83130.8 Ų130.850%0.50360%0.597SS.*  trans-63.9105.3173.2170.50000108.1K326 V333 L340K326-V328 PolarHBondContact O-N 2.94Å; V328-V333 HydrophobicContact CG1-CG2 3.29Å; V328-L340 HydrophobicContact CB-CD1 4.44Å; V328-L340 HydrophobicContact CG1-CD1 3.39Å; V328-L340 HydrophobicContact CG1-CD2 4.43Å; V328-L340 HydrophobicContact CG2-CD1 4.18Å; V328-L340 HydrophobicContact CG2-CD2 3.7Å
329T75.6Confident73.2Confident61 Ų61128.4 Ų128.437%0.37460%0.595SS.*  trans-77.6149177.852.30000110.8P327 E331 I332 V333P327-T329 PolarHBondContact O-N 3.12Å; T329-E331 PolarHBondContact O-N 3.01Å; T329-E331 VanDerWaalsContact O-N 3.12Å; T329-I332 PolarHBondContact O-N 3.2Å; T329-I332 VanDerWaalsContact OG1-CD1 3.23Å; T329-I332 WeakPolarHBondContact OG1-CD1 3.28Å; T329-I332 VanDerWaalsContact OG1-CG1 3.24Å; T329-I332 WeakPolarHBondContact OG1-CG1 3.43Å; T329-V333 PolarHBondContact O-N 3.47Å
330R75.2Confident72.7Confident202 Ų202124.3 Ų124.376%0.76258%0.58SS**Hα-helixtrans-50.8-37.5176.9-176.1179.3179.7-113.81.4112.9I332 V333 I334R330-I332 PolarHBondContact O-N 3.38Å; R330-V333 WeakPolarHBondContact O-CB 3.32Å; R330-V333 PolarHBondContact O-N 3.12Å; R330-I334 HydrophobicContact CG-CD1 3.8Å; R330-I334 HydrophobicContact CG-CG1 4.41Å; R330-I334 VanDerWaalsContact O-CG1 3.31Å; R330-I334 WeakPolarHBondContact O-CG1 3.25Å; R330-I334 PolarHBondContact O-N 2.94Å
331E77.1Confident72.3Confident156 Ų156125 Ų12573%0.72958%0.582SS**Hα-helixtrans-62.3-41177.5-70.7164-17700112.9T329 V333 I334 R335T329-E331 PolarHBondContact O-N 3.01Å; T329-E331 VanDerWaalsContact O-N 3.12Å; E331-V333 VanDerWaalsContact C-N 3.35Å; E331-I334 PolarHBondContact O-N 3.5Å; E331-R335 VanDerWaalsContact O-CB 3.27Å; E331-R335 WeakPolarHBondContact O-CB 3.49Å; E331-R335 PolarHBondContact O-N 3.18Å
332I71.1Confident72.3Confident84 Ų84122.3 Ų122.343%0.43158%0.578SS.*Hα-helixtrans-67.1-40.2176.8-66.2170.3000109.9T329 R330 I334 D336 L340T329-I332 PolarHBondContact O-N 3.2Å; T329-I332 VanDerWaalsContact OG1-CD1 3.23Å; T329-I332 WeakPolarHBondContact OG1-CD1 3.28Å; T329-I332 VanDerWaalsContact OG1-CG1 3.24Å; T329-I332 WeakPolarHBondContact OG1-CG1 3.43Å; R330-I332 PolarHBondContact O-N 3.38Å; I332-I334 VanDerWaalsContact C-N 3.34Å; I332-I334 PolarHBondContact O-N 2.92Å; I332-D336 CarbonylContact O-C 3.45Å; I332-D336 PolarHBondContact O-N 3.49Å; I332-L340 HydrophobicContact CG2-CD1 4.11Å
333V78.8Confident72.6Confident50 Ų50115.1 Ų115.130%0.30355%0.553SS.*Hα-helixtrans-63.1-39.3175.81770000111.8V328 T329 R330 E331 P337 L340 L343V328-V333 HydrophobicContact CG1-CG2 3.29Å; T329-V333 PolarHBondContact O-N 3.47Å; R330-V333 WeakPolarHBondContact O-CB 3.32Å; R330-V333 PolarHBondContact O-N 3.12Å; E331-V333 VanDerWaalsContact C-N 3.35Å; V333-P337 VanDerWaalsContact O-CB 3.29Å; V333-P337 WeakPolarHBondContact O-CB 3.35Å; V333-P337 WeakPolarHBondContact O-CD 3.29Å; V333-L340 HydrophobicContact CG2-CD1 4.02Å; V333-L343 HydrophobicContact CB-CD1 4.26Å; V333-L343 HydrophobicContact CG1-CD1 3.7Å; V333-L343 HydrophobicContact CG2-CD1 3.86Å
334I82.4Confident73.2Confident111 Ų111111.5 Ų111.557%0.56954%0.54SS*.Hα-helixtrans-74.7-42.1179.5-68.7169.8000111.1R330 E331 I332R330-I334 HydrophobicContact CG-CD1 3.8Å; R330-I334 HydrophobicContact CG-CG1 4.41Å; R330-I334 VanDerWaalsContact O-CG1 3.31Å; R330-I334 WeakPolarHBondContact O-CG1 3.25Å; R330-I334 PolarHBondContact O-N 2.94Å; E331-I334 PolarHBondContact O-N 3.5Å; I332-I334 VanDerWaalsContact C-N 3.34Å; I332-I334 PolarHBondContact O-N 2.92Å
335R82.3Confident73.8Confident223 Ų223109.6 Ų109.684%0.84253%0.532SS*.Hα-helixtrans-74.6-42.7-173.7-163.3-174.396-176.18.5112.9E331E331-R335 VanDerWaalsContact O-CB 3.27Å; E331-R335 WeakPolarHBondContact O-CB 3.49Å; E331-R335 PolarHBondContact O-N 3.18Å
336D78.9Confident74.8Confident74 Ų74107.7 Ų107.740%0.39652%0.517SS..  trans-150.476.7-177.2-172.6-3.2000111.3I332 Y338 A339I332-D336 CarbonylContact O-C 3.45Å; I332-D336 PolarHBondContact O-N 3.49Å; D336-Y338 PolarHBondContact O-N 3.28Å; D336-Y338 PolarHBondContact OD1-N 3.39Å; D336-A339 HydrophobicContact CB-CB 4.41Å; D336-A339 PolarHBondContact O-N 3.42Å; D336-A339 PolarHBondContact OD1-N 3.38Å; D336-A339 WeakPolarHBondContact OD2-CB 3.48Å
337P77.7Confident75.9Confident37 Ų37101.3 Ų101.324%0.2449%0.491CS..THydrogen-bonded Turntrans-66.3-21.5-179.422.9-30.3000113.3V333 L343 I347V333-P337 VanDerWaalsContact O-CB 3.29Å; V333-P337 WeakPolarHBondContact O-CB 3.35Å; V333-P337 WeakPolarHBondContact O-CD 3.29Å; P337-L343 WeakPolarHBondContact O-CB 3.3Å; P337-I347 HydrophobicContact CB-CD1 3.89Å; P337-I347 HydrophobicContact CG-CD1 4.39Å
338Y76.7Confident76.5Confident111 Ų11197.6 Ų97.644%0.43547%0.466SS..THydrogen-bonded Turntrans-79.9-25.4-176.7-86.3-87.7000113.4D336 L340 R344 I347D336-Y338 PolarHBondContact O-N 3.28Å; D336-Y338 PolarHBondContact OD1-N 3.39Å; Y338-L340 PolarHBondContact O-N 3.42Å; Y338-R344 HydrophobicContact CD1-CB 4.14Å; Y338-R344 HydrophobicContact CD1-CG 3.78Å; Y338-R344 HydrophobicContact CE1-CG 4.24Å; Y338-R344 PolarHBondContact O-NE 3.32Å; Y338-R344 VanDerWaalsContact O-NE 3.11Å; Y338-I347 HydrophobicContact CE1-CG2 4.46Å; Y338-I347 HydrophobicContact CE2-CD1 4.39Å; Y338-I347 HydrophobicContact CE2-CG2 4.21Å; Y338-I347 WeakPolarHBondContact OH-CG2 3.21Å
339A74.4Confident77Confident65 Ų6595.9 Ų95.954%0.53746%0.46SS..SBendtrans-58.8-28.5171.700000112.7D336 R341D336-A339 HydrophobicContact CB-CB 4.41Å; D336-A339 PolarHBondContact O-N 3.42Å; D336-A339 PolarHBondContact OD1-N 3.38Å; D336-A339 WeakPolarHBondContact OD2-CB 3.48Å; A339-R341 PolarHBondContact O-N 3.11Å
340L74.1Confident77.2Confident33 Ų3399.3 Ų99.317%0.17347%0.467CS..SBendtrans-88.5107.1-178.3-63.5169.2000110.6V328 I332 V333 Y338 P342 L343 R344V328-L340 HydrophobicContact CB-CD1 4.44Å; V328-L340 HydrophobicContact CG1-CD1 3.39Å; V328-L340 HydrophobicContact CG1-CD2 4.43Å; V328-L340 HydrophobicContact CG2-CD1 4.18Å; V328-L340 HydrophobicContact CG2-CD2 3.7Å; I332-L340 HydrophobicContact CG2-CD1 4.11Å; V333-L340 HydrophobicContact CG2-CD1 4.02Å; Y338-L340 PolarHBondContact O-N 3.42Å; L340-P342 VanDerWaalsContact C-CD 3.4Å; L340-P342 VanDerWaalsContact C-N 3.3Å; L340-P342 VanDerWaalsContact O-N 3.12Å; L340-L343 HydrophobicContact CB-CB 4.2Å; L340-L343 HydrophobicContact CB-CD1 4.17Å; L340-L343 HydrophobicContact CB-CG 4.38Å; L340-L343 HydrophobicContact CD1-CD1 3.69Å; L340-L343 PolarHBondContact O-N 3.23Å; L340-R344 PolarHBondContact O-N 2.97Å
341R69.8Low77.1Confident162 Ų16291.4 Ų91.461%0.61145%0.445SS*.Hα-helixtrans-48.4-40.4-176.9-166-179.7-171.3-172.63.8114.5A339 R345A339-R341 PolarHBondContact O-N 3.11Å; R341-R345 WeakPolarHBondContact O-CG 3.46Å; R341-R345 PolarHBondContact O-N 3.01Å
342P74.1Confident76.7Confident99 Ų9987.9 Ų87.964%0.64343%0.427SS*.Hα-helixtrans-69.6-41177-19.733.8000113.6L340 R345 L346L340-P342 VanDerWaalsContact C-CD 3.4Å; L340-P342 VanDerWaalsContact C-N 3.3Å; L340-P342 VanDerWaalsContact O-N 3.12Å; P342-R345 PolarHBondContact O-N 3.13Å; P342-L346 PolarHBondContact O-N 2.86Å
343L78.3Confident76.8Confident55 Ų5593.4 Ų93.429%0.28844%0.443SS..Hα-helixtrans-71-43.6-179-73.6178.2000111.7V333 P337 L340 R345 L346 I347V333-L343 HydrophobicContact CB-CD1 4.26Å; V333-L343 HydrophobicContact CG1-CD1 3.7Å; V333-L343 HydrophobicContact CG2-CD1 3.86Å; P337-L343 WeakPolarHBondContact O-CB 3.3Å; L340-L343 HydrophobicContact CB-CB 4.2Å; L340-L343 HydrophobicContact CB-CD1 4.17Å; L340-L343 HydrophobicContact CB-CG 4.38Å; L340-L343 HydrophobicContact CD1-CD1 3.69Å; L340-L343 PolarHBondContact O-N 3.23Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.03Å; L343-L346 WeakPolarHBondContact O-CB 3.48Å; L343-L346 PolarHBondContact O-N 3.33Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.42Å; L343-I347 PolarHBondContact O-N 3.3Å
344R81.1Confident76.5Confident102 Ų10295.6 Ų95.639%0.38545%0.452SS..Hα-helixtrans-51.1-48.9172.1171.9166.238127.3-3.2111.9Y338 L340 L346 I347 D348Y338-R344 HydrophobicContact CD1-CB 4.14Å; Y338-R344 HydrophobicContact CD1-CG 3.78Å; Y338-R344 HydrophobicContact CE1-CG 4.24Å; Y338-R344 PolarHBondContact O-NE 3.32Å; Y338-R344 VanDerWaalsContact O-NE 3.11Å; L340-R344 PolarHBondContact O-N 2.97Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 3.18Å; R344-I347 PolarHBondContact O-N 3.25Å; R344-D348 WeakPolarHBondContact O-CB 3.49Å; R344-D348 PolarHBondContact O-N 3.32Å
345R74.5Confident75.8Confident158 Ų15897.2 Ų97.260%0.59645%0.452SS*.Hα-helixtrans-59.1-38.4177.7-77.1176.8172.7-177.4-4.3112.9R341 P342 L343 A349R341-R345 WeakPolarHBondContact O-CG 3.46Å; R341-R345 PolarHBondContact O-N 3.01Å; P342-R345 PolarHBondContact O-N 3.13Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.03Å; R345-A349 WeakPolarHBondContact O-CB 3.34Å; R345-A349 PolarHBondContact O-N 3.04Å; R345-A349 VanDerWaalsContact O-N 3.14Å
346L80.3Confident74.8Confident100 Ų10087.4 Ų87.452%0.52442%0.42SS..Hα-helixtrans-72.4-47.2-179.1-161.1131.1000110.7P342 L343 R344 D348 A349 Y350P342-L346 PolarHBondContact O-N 2.86Å; L343-L346 WeakPolarHBondContact O-CB 3.48Å; L343-L346 PolarHBondContact O-N 3.33Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 3.18Å; L346-D348 PolarHBondContact O-N 2.86Å; L346-A349 PolarHBondContact O-N 2.89Å; L346-Y350 HydrophobicContact CD2-CD2 3.79Å; L346-Y350 HydrophobicContact CD2-CE2 3.69Å; L346-Y350 HydrophobicContact CG-CD2 4.13Å; L346-Y350 HydrophobicContact CG-CE2 4Å; L346-Y350 VanDerWaalsContact O-CD2 3.3Å; L346-Y350 WeakPolarHBondContact O-CD2 3.3Å; L346-Y350 PolarHBondContact O-N 3.46Å
347I82.1Confident74.1Confident54 Ų5490.9 Ų90.928%0.27743%0.433SS..Hα-helixtrans-57.6-48.5175.6-64.3164.9000110.3P337 Y338 L343 R344 A349 Y350 A351P337-I347 HydrophobicContact CB-CD1 3.89Å; P337-I347 HydrophobicContact CG-CD1 4.39Å; Y338-I347 HydrophobicContact CE1-CG2 4.46Å; Y338-I347 HydrophobicContact CE2-CD1 4.39Å; Y338-I347 HydrophobicContact CE2-CG2 4.21Å; Y338-I347 WeakPolarHBondContact OH-CG2 3.21Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.42Å; L343-I347 PolarHBondContact O-N 3.3Å; R344-I347 PolarHBondContact O-N 3.25Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 3.35Å; I347-Y350 PolarHBondContact O-N 3.24Å; I347-A351 WeakPolarHBondContact O-CB 3.37Å; I347-A351 PolarHBondContact O-N 3.37Å
348D77.1Confident73.1Confident30 Ų3098.9 Ų98.916%0.1646%0.459CS..Hα-helixtrans-60.7-37.5178.8-66.2-18.3000112.1R344 L346 F352 F371R344-D348 WeakPolarHBondContact O-CB 3.49Å; R344-D348 PolarHBondContact O-N 3.32Å; L346-D348 PolarHBondContact O-N 2.86Å; D348-F352 WeakPolarHBondContact O-CB 3.3Å; D348-F352 PolarHBondContact O-N 3.47Å; D348-F371 HydrophobicContact CB-CE1 4.4Å; D348-F371 HydrophobicContact CB-CZ 4.13Å; D348-F371 WeakPolarHBondContact OD1-CE1 3.37Å
349A75.6Confident72.2Confident46 Ų4696.3 Ų96.338%0.3846%0.455SS..Hα-helixtrans-68.6-41.2178.100000112.5R345 L346 I347 R353R345-A349 WeakPolarHBondContact O-CB 3.34Å; R345-A349 PolarHBondContact O-N 3.04Å; R345-A349 VanDerWaalsContact O-N 3.14Å; L346-A349 PolarHBondContact O-N 2.89Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 3.35Å; A349-R353 PolarHBondContact O-N 2.92Å
350Y79.1Confident71.4Confident133 Ų133102.2 Ų102.252%0.52247%0.468SS..Hα-helixtrans-72.1-41.6177.1-84.1-79.4000112.2L346 I347 F352 R353 I354L346-Y350 HydrophobicContact CD2-CD2 3.79Å; L346-Y350 HydrophobicContact CD2-CE2 3.69Å; L346-Y350 HydrophobicContact CG-CD2 4.13Å; L346-Y350 HydrophobicContact CG-CE2 4Å; L346-Y350 VanDerWaalsContact O-CD2 3.3Å; L346-Y350 WeakPolarHBondContact O-CD2 3.3Å; L346-Y350 PolarHBondContact O-N 3.46Å; I347-Y350 PolarHBondContact O-N 3.24Å; Y350-F352 VanDerWaalsContact C-N 3.27Å; Y350-F352 PolarHBondContact O-N 2.96Å; Y350-R353 PolarHBondContact O-N 2.84Å; Y350-I354 WeakPolarHBondContact O-CG1 3.37Å; Y350-I354 PolarHBondContact O-N 3.19Å
351A74.6Confident70.3Confident36 Ų36110.6 Ų110.630%0.29850%0.503SS..Hα-helixtrans-56.8-43.9173.400000110.8I347 R353 I354 Y355I347-A351 WeakPolarHBondContact O-CB 3.37Å; I347-A351 PolarHBondContact O-N 3.37Å; A351-R353 PolarHBondContact O-N 3.32Å; A351-I354 PolarHBondContact O-N 3.24Å; A351-Y355 WeakPolarHBondContact O-CB 3.29Å; A351-Y355 WeakPolarHBondContact O-CD2 3.45Å; A351-Y355 PolarHBondContact O-N 3.23Å
352F69.1Low69.6Low83 Ų83105.1 Ų105.136%0.36450%0.497SS..Hα-helixtrans-65.1-36.7174.3-172.5-96.8000113.2D348 Y350 G356 L370D348-F352 WeakPolarHBondContact O-CB 3.3Å; D348-F352 PolarHBondContact O-N 3.47Å; Y350-F352 VanDerWaalsContact C-N 3.27Å; Y350-F352 PolarHBondContact O-N 2.96Å; F352-G356 WeakPolarHBondContact O-CA 3.5Å; F352-G356 PolarHBondContact O-N 2.84Å; F352-L370 HydrophobicContact CD2-CD1 3.79Å; F352-L370 HydrophobicContact CE2-CD1 4.03Å
353R71.6Confident68.6Low199 Ų199110.4 Ų110.475%0.75151%0.513SS*.Hα-helixtrans-66-38.4175.4-82.5-179.270.1170.32112.9A349 Y350 A351A349-R353 PolarHBondContact O-N 2.92Å; Y350-R353 PolarHBondContact O-N 2.84Å; A351-R353 PolarHBondContact O-N 3.32Å
354I72.6Confident67.4Low97 Ų97116.9 Ų116.950%0.49754%0.542SS..Hα-helixtrans-79.2-51.9-177.3-64.7172.8000110.1Y350 A351 H357Y350-I354 WeakPolarHBondContact O-CG1 3.37Å; Y350-I354 PolarHBondContact O-N 3.19Å; A351-I354 PolarHBondContact O-N 3.24Å; I354-H357 PolarHBondContact O-CE1 2.94Å; I354-H357 PolarHBondContact O-ND1 3.16Å
355Y68.3Low66Low145 Ų145119.4 Ų119.457%0.56956%0.558SS**Hα-helixtrans-99.2-3.4-172.1-57.5-71.8000114A351 H357 W358A351-Y355 WeakPolarHBondContact O-CB 3.29Å; A351-Y355 WeakPolarHBondContact O-CD2 3.45Å; A351-Y355 PolarHBondContact O-N 3.23Å; Y355-H357 PolarHBondContact O-N 2.99Å; Y355-W358 WeakPolarHBondContact O-CB 3.36Å; Y355-W358 PolarHBondContact O-N 3.48Å
356G60.8Low65Low17 Ų17118.7 Ų118.718%0.17557%0.567CS.*G310 helixtrans-62.1-16.4-176.900000114.9F352 W358 V359F352-G356 WeakPolarHBondContact O-CA 3.5Å; F352-G356 PolarHBondContact O-N 2.84Å; G356-W358 VanDerWaalsContact C-N 3.34Å; G356-V359 WeakPolarHBondContact O-CB 3.44Å; G356-V359 PolarHBondContact O-N 3.03Å
357H63.9Low63.5Low146 Ų146121.1 Ų121.168%0.67657%0.569SS**G310 helixtrans-75.9-18.4173.366-79.6000113.6I354 Y355 V359I354-H357 PolarHBondContact O-CE1 2.94Å; I354-H357 PolarHBondContact O-ND1 3.16Å; Y355-H357 PolarHBondContact O-N 2.99Å; H357-V359 VanDerWaalsContact C-N 3.3Å
358W56.7Low62.1Low206 Ų206122 Ų12278%0.7858%0.584SS**G310 helixtrans-82.7-10.5172.1-71.762.9000112.5Y355 G356 K360Y355-W358 WeakPolarHBondContact O-CB 3.36Å; Y355-W358 PolarHBondContact O-N 3.48Å; G356-W358 VanDerWaalsContact C-N 3.34Å; W358-K360 PolarHBondContact O-N 2.92Å
359V59.2Low61Low57 Ų57122.9 Ų122.935%0.34560%0.595SS.*SBendtrans-85.394.4178.7-173.90000107.6G356 H357 K361 L370G356-V359 WeakPolarHBondContact O-CB 3.44Å; G356-V359 PolarHBondContact O-N 3.03Å; H357-V359 VanDerWaalsContact C-N 3.3Å; V359-K361 PolarHBondContact O-N 2.86Å; V359-K361 VanDerWaalsContact O-N 3.13Å; V359-L370 HydrophobicContact CG1-CD1 4.38Å; V359-L370 HydrophobicContact CG2-CD1 3.78Å; V359-L370 HydrophobicContact CG2-CD2 3.94Å; V359-L370 HydrophobicContact CG2-CG 3.97Å
360K56.3Low60Low189 Ų189123.9 Ų123.982%0.82259%0.594SS**  trans-57.3117.4177.3-73.5-174.2178.4179.80109.7W358 G362W358-K360 PolarHBondContact O-N 2.92Å; K360-G362 PolarHBondContact O-N 2.79Å
361K51.8Low58.8Low209 Ų209122.3 Ų122.391%0.90959%0.59SS**  trans-76.972.6175-68.6-174.8-178.5178.50110.5V359V359-K361 PolarHBondContact O-N 2.86Å; V359-K361 VanDerWaalsContact O-N 3.13Å
362G54.4Low57.6Low47 Ų47125.4 Ų125.449%0.48560%0.598SS.*  trans-89.1151.4164.800000110.8K360 Q364K360-G362 PolarHBondContact O-N 2.79Å; G362-Q364 PolarHBondContact O-N 3.5Å
363Q52.9Low56.8Low209 Ų209129.1 Ų129.198%0.97762%0.622SS**THydrogen-bonded Turntrans-63.3-2.2-177.9-79.4-171.5-17.300115.2
364Q52.7Low55.7Low192 Ų192124.6 Ų124.690%0.89762%0.617SS**THydrogen-bonded Turntrans-122.214.6-175.8-69.8-164.2-9.200116.4G362G362-Q364 PolarHBondContact O-N 3.5Å
365Q52.5Low54.3Low154 Ų154126.1 Ų126.172%0.7263%0.633SS**  trans-130.8120172.6-74.4-173.6-8.700113.5
366N53.2Low53.2Low144 Ų144126.4 Ų126.477%0.7764%0.637SS**  trans-87.2157.7178.3-110.1-21.1000111.8A368 A369N366-A368 PolarHBondContact O-N 3.06Å; N366-A369 PolarHBondContact O-N 3.04Å
367R49Very low52.6Low151 Ų151130 Ų13057%0.5767%0.665SS**G310 helixtrans-44.7-20.4179.2-176.5178.8169.9122.51.8115.8A369R367-A369 VanDerWaalsContact C-N 3.31Å; R367-A369 PolarHBondContact O-N 3.37Å
368A52.1Low51.8Low72 Ų72128.2 Ų128.260%0.59566%0.664SS**G310 helixtrans-67-25.1176.300000114.1N366 L370 F371N366-A368 PolarHBondContact O-N 3.06Å; A368-L370 PolarHBondContact O-N 3.04Å; A368-F371 PolarHBondContact O-N 3.37Å; A368-F371 VanDerWaalsContact O-N 3.16Å
369A55.8Low51Low48 Ų48125.6 Ų125.640%0.39767%0.665SS.*G310 helixtrans-65-22.9-178.900000113.8N366 R367 F371N366-A369 PolarHBondContact O-N 3.04Å; R367-A369 VanDerWaalsContact C-N 3.31Å; R367-A369 PolarHBondContact O-N 3.37Å; A369-F371 PolarHBondContact O-N 2.95Å
370L52.9Low50.2Low67 Ų67129.4 Ų129.435%0.35168%0.682SS.*G310 helixtrans-68.4-16.3176-96.2149.7000114.1F352 V359 A368F352-L370 HydrophobicContact CD2-CD1 3.79Å; F352-L370 HydrophobicContact CE2-CD1 4.03Å; V359-L370 HydrophobicContact CG1-CD1 4.38Å; V359-L370 HydrophobicContact CG2-CD1 3.78Å; V359-L370 HydrophobicContact CG2-CD2 3.94Å; V359-L370 HydrophobicContact CG2-CG 3.97Å; A368-L370 PolarHBondContact O-N 3.04Å
371F53.9Low49.9Very low100 Ų100124 Ų12444%0.43967%0.669SS.*G310 helixtrans-1259.4-171.5-56.4-81.9000112.8D348 A368 A369 N373D348-F371 HydrophobicContact CB-CE1 4.4Å; D348-F371 HydrophobicContact CB-CZ 4.13Å; D348-F371 WeakPolarHBondContact OD1-CE1 3.37Å; A368-F371 PolarHBondContact O-N 3.37Å; A368-F371 VanDerWaalsContact O-N 3.16Å; A369-F371 PolarHBondContact O-N 2.95Å; F371-N373 PolarHBondContact O-N 3.14Å; F371-N373 VanDerWaalsContact O-N 3.13Å
372E50.2Low49.7Very low101 Ų101121.1 Ų121.147%0.47266%0.662SS.*  trans-73.894167.2-84.9-174.8164.100109T374 K376E372-T374 PolarHBondContact O-N 3.22Å; E372-K376 VanDerWaalsContact CD-NZ 3.31Å; E372-K376 VanDerWaalsContact OE1-CE 3.29Å; E372-K376 WeakPolarHBondContact OE1-CE 3.46Å; E372-K376 IonicContact OE1-NZ 3.03Å; E372-K376 PolarHBondContact OE1-NZ 3.4Å; E372-K376 VanDerWaalsContact OE2-CE 3.3Å; E372-K376 WeakPolarHBondContact OE2-CE 3.04Å; E372-K376 IonicContact OE2-NZ 2.81Å; E372-K376 PolarHBondContact OE2-NZ 2.93Å
373N51.3Low49.2Very low161 Ų161123.2 Ų123.286%0.86168%0.675SS**  trans-85.924.8173.3-78.1-22.5000113.3F371F371-N373 PolarHBondContact O-N 3.14Å; F371-N373 VanDerWaalsContact O-N 3.13Å
374T48.6Very low49.1Very low105 Ų105120.8 Ų120.864%0.64466%0.664SS**SBendtrans-121.1121.6176.224.20000109.2E372 K376E372-T374 PolarHBondContact O-N 3.22Å; T374-K376 PolarHBondContact O-N 2.8Å
375P43.5Very low49.1Very low128 Ų128118.6 Ų118.683%0.83166%0.658SS**  trans-59.3124.9172.3-9.720.2000109.2A377P375-A377 PolarHBondContact O-N 3.13Å
376K44.7Very low48.7Very low151 Ų151120.2 Ų120.266%0.65767%0.666SS**  trans-73.1107.3168.3-77.9-178.6-178.9156.20108.2E372 T374 V378E372-K376 VanDerWaalsContact CD-NZ 3.31Å; E372-K376 VanDerWaalsContact OE1-CE 3.29Å; E372-K376 WeakPolarHBondContact OE1-CE 3.46Å; E372-K376 IonicContact OE1-NZ 3.03Å; E372-K376 PolarHBondContact OE1-NZ 3.4Å; E372-K376 VanDerWaalsContact OE2-CE 3.3Å; E372-K376 WeakPolarHBondContact OE2-CE 3.04Å; E372-K376 IonicContact OE2-NZ 2.81Å; E372-K376 PolarHBondContact OE2-NZ 2.93Å; T374-K376 PolarHBondContact O-N 2.8Å; K376-V378 PolarHBondContact O-N 2.95Å
377A48.3Very low48.3Very low94 Ų94121.3 Ų121.378%0.77767%0.672SS**  trans-70.924.6178.400000114.8P375P375-A377 PolarHBondContact O-N 3.13Å
378V48.9Very low48Very low107 Ų107128.6 Ų128.665%0.64870%0.701SS**  trans-132.454.6-173.5-165.30000112K376K376-V378 PolarHBondContact O-N 2.95Å
379L39Very low47.8Very low152 Ų152131.5 Ų131.580%0.79671%0.707SS**SBendtrans-140.834.6154.9-99167.6000110
380L41.9Very low47.4Very low136 Ų136135.8 Ų135.871%0.71272%0.723SS**SBendtrans-1074.8162.3-102.4156.1000111.2
381S50.1Low47.1Very low77 Ų77139.7 Ų139.754%0.53874%0.744SS.*SBendtrans-123.217.6-175.169.60000114.3
382L47.1Very low46.6Very low147 Ų147142 Ų14277%0.7776%0.762SS**SBendtrans-138.820.3176.6-77.3173.2000113.5
383A44.2Very low46.4Very low92 Ų92144.6 Ų144.676%0.7678%0.78SS**SBendtrans-142.710.3168.200000113.3D385A383-D385 VanDerWaalsContact C-N 3.33Å
384E51.3Low46.1Very low158 Ų158143.5 Ų143.574%0.73877%0.774SS**SBendtrans-90.63.5164.4-82.8-173.316500112.4
385D52.4Low45.9Very low146 Ų146146.2 Ų146.278%0.78178%0.784SS**SBendtrans-126.188.6169.2-72.4-39.2000109A383A383-D385 VanDerWaalsContact C-N 3.33Å
386E43.5Very low46.1Very low188 Ų188147.6 Ų147.688%0.87978%0.78SS**  trans163.359.4141.9-86.1-179.9-166.600110.7
387D45.6Very low46.2Very low166 Ų166147.3 Ų147.389%0.88879%0.79SS**  trans-91.595.4133.2-97.3-33.5000105.9
388Y42.3Very low46Very low305 Ų305152.2 Ų152.2100%1.19679%0.791SS**  trans-164.20148.6-104.7-69.9000111.2

Retrieved 388 of 388 residues in 460.7 ms (Link to these results)

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