A0A060YCM6_ONCMY Loading...

Ubiquitin-associated domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A060YCM6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536363, Length 422 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
1M37.3Very low43.3Very low225 Ų225153.4 Ų153.4100%1.10878%0.775SS**  090.50-175.5174.3-175.100106.5
2F36.2Very low46.2Very low213 Ų213150.8 Ų150.893%0.93475%0.754SS**  trans-92.3123.5178.9-74-82.3000108.3
3V37Very low49.1Very low113 Ų113146.8 Ų146.869%0.68574%0.736SS**  trans-98.1124.6173.6-178.40000106.6E5V3-E5 PolarHBondContact O-N 2.9Å
4Q38.9Very low51.8Low154 Ų154136.5 Ų136.572%0.7268%0.684SS**  trans-78.9114.1177.5-70.9172.7-89.500109.5E6Q4-E6 HydrophobicContact CB-CG 4.42Å; Q4-E6 PolarHBondContact NE2-OE2 3.36Å; Q4-E6 PolarHBondContact O-N 3Å; Q4-E6 VanDerWaalsContact O-N 3.1Å
5E41.1Very low54.2Low162 Ų162133 Ų13376%0.75766%0.663SS**  trans-81.526.3-176.7-60-172.513100113.7V3 K7V3-E5 PolarHBondContact O-N 2.9Å; E5-K7 PolarHBondContact O-N 3.07Å
6E42.1Very low56.5Low157 Ų157124.7 Ų124.773%0.73462%0.621SS**THydrogen-bonded Turntrans-77.821.3-171.3-62.7-178147.300114.8Q4Q4-E6 HydrophobicContact CB-CG 4.42Å; Q4-E6 PolarHBondContact NE2-OE2 3.36Å; Q4-E6 PolarHBondContact O-N 3Å; Q4-E6 VanDerWaalsContact O-N 3.1Å
7K40.8Very low58.4Low198 Ų198121.2 Ų121.286%0.86160%0.603SS**THydrogen-bonded Turntrans-135.526.9-171.5-69.9-163174.8-174.20116.2E5E5-K7 PolarHBondContact O-N 3.07Å
8I46.8Very low60.2Low124 Ų124114.5 Ų114.564%0.63657%0.569SS**SBendtrans-105.2-24.6-178.1-43.8-177000112.9
9F45.9Very low61.7Low207 Ų207109.8 Ų109.891%0.90855%0.548SS*.  trans-112.360.1179.4-69.6-80000113G11F9-G11 VanDerWaalsContact C-N 3.29Å; F9-G11 PolarHBondContact O-N 2.89Å
10A49.6Very low62.9Low99 Ų99104.7 Ų104.782%0.81852%0.523SS*.  trans-75.983.3164.900000109.6
11G60.9Low63.6Low35 Ų35105.2 Ų105.236%0.36153%0.525SS..PPolyproline II helixtrans-54.3142.2173.100000111.2F9 I13F9-G11 VanDerWaalsContact C-N 3.29Å; F9-G11 PolarHBondContact O-N 2.89Å; G11-I13 PolarHBondContact O-N 3.02Å; G11-I13 VanDerWaalsContact O-N 3.14Å
12K78Confident65.5Low122 Ų122101.1 Ų101.153%0.5350%0.504SS..PPolyproline II helixtrans-61.5119.8-175.1171.7163.1159.3-76.30110L14 E32K12-L14 HydrophobicContact CG-CD2 4.45Å; K12-E32 HydrophobicContact CB-CG 4.42Å; K12-E32 WeakPolarHBondContact CD-OE1 3.3Å; K12-E32 IonicContact NZ-OE1 3.58Å; K12-E32 PolarHBondContact NZ-OE1 3.08Å; K12-E32 PolarHBondContact O-N 3.44Å
13I84.1Confident67.3Low100 Ų10094.2 Ų94.251%0.51349%0.492SS..EExtended strand (participates in β ladder)trans-83.3128.3179.5-54.5174.8000108.3G11 E29 V30 T31G11-I13 PolarHBondContact O-N 3.02Å; G11-I13 VanDerWaalsContact O-N 3.14Å; I13-E29 HydrophobicContact CG2-CB 4.04Å; I13-V30 WeakPolarHBondContact CA-O 3.35Å; I13-T31 HydrophobicContact CG1-CG2 4.3Å
14L86.7Confident69.6Low2 Ų292.1 Ų92.11%0.0148%0.48CS..EExtended strand (participates in β ladder)trans-108.4140.2172.3-58.4178.1000108.7K12 I16 V30 E32 V78 L83 D85K12-L14 HydrophobicContact CG-CD2 4.45Å; L14-I16 HydrophobicContact CB-CG1 4.31Å; L14-V30 PolarHBondContact N-O 2.97Å; L14-V30 PolarHBondContact O-N 3.47Å; L14-E32 HydrophobicContact CD1-CG 3.93Å; L14-E32 HydrophobicContact CG-CG 4.21Å; L14-V78 HydrophobicContact CD1-CG1 3.67Å; L14-L83 WeakPolarHBondContact CD1-O 3.3Å; L14-D85 HydrophobicContact CD2-CB 4.27Å
15K88.1Confident71.9Confident84 Ų8491.6 Ų91.637%0.36548%0.477SS..EExtended strand (participates in β ladder)trans-101.5110.3173.6-50.8-158.8-178.2-148.20108.9L27 E29 D85 K86K15-L27 HydrophobicContact CB-CD1 3.91Å; K15-L27 HydrophobicContact CB-CD2 4.02Å; K15-L27 HydrophobicContact CB-CG 4.04Å; K15-L27 HydrophobicContact CD-CD2 4.03Å; K15-E29 HydrophobicContact CD-CG 4.46Å; K15-E29 VanDerWaalsContact CE-OE1 3.24Å; K15-E29 WeakPolarHBondContact CE-OE1 3.36Å; K15-E29 HydrophobicContact CG-CG 4.33Å; K15-E29 IonicContact NZ-OE1 3.94Å; K15-E29 PolarHBondContact NZ-OE1 2.77Å; K15-D85 WeakPolarHBondContact CB-OD1 3.37Å; K15-D85 PolarHBondContact N-OD1 3.29Å; K15-K86 VanDerWaalsContact O-CA 3.3Å; K15-K86 WeakPolarHBondContact O-CA 3.42Å; K15-K86 PolarHBondContact O-N 3.45Å
16I90.3Very high74.2Confident0 Ų085.2 Ų85.20%045%0.446CS..EExtended strand (participates in β ladder)trans-106.9128.2-171.8-58.4-177.2000108.9L14 E28 V30 L39 V78 L83 L89L14-I16 HydrophobicContact CB-CG1 4.31Å; I16-E28 PolarHBondContact N-O 3.02Å; I16-E28 PolarHBondContact O-N 3.11Å; I16-V30 HydrophobicContact CD1-CB 4.22Å; I16-V30 HydrophobicContact CD1-CG2 4.02Å; I16-V30 HydrophobicContact CG1-CG2 4.36Å; I16-L39 HydrophobicContact CD1-CD2 4.13Å; I16-V78 HydrophobicContact CD1-CG1 4.29Å; I16-L83 HydrophobicContact CD1-CD1 4.27Å; I16-L89 HydrophobicContact CG2-CB 4.49Å; I16-L89 HydrophobicContact CG2-CD1 3.69Å; I16-L89 HydrophobicContact CG2-CG 3.63Å
17H89.4Confident76.4Confident66 Ų6681.5 Ų81.531%0.30643%0.431SS..EExtended strand (participates in β ladder)trans-79.6130.5173.7-78.3-92.3000109.3W26 D87 V88 L89H17-W26 WeakPolarHBondContact CA-O 3.38Å; H17-D87 PolarHBondContact N-O 3.22Å; H17-V88 HydrophobicContact CB-CB 4.49Å; H17-V88 HydrophobicContact CB-CG2 4.01Å; H17-V88 CarbonylContact O-C 3.59Å; H17-V88 WeakPolarHBondContact O-CA 3.23Å; H17-L89 PolarHBondContact O-N 3.06Å
18I90.4Very high78.7Confident0 Ų073.5 Ų73.50%040%0.397CS..EExtended strand (participates in β ladder)trans-117.4127.5175.6-61.5147.4000108.5E25 W26 E28 C43 L89 L91I18-E25 VanDerWaalsContact O-CA 3.27Å; I18-E25 WeakPolarHBondContact O-CA 3.5Å; I18-W26 HydrophobicContact CB-CD2 4.24Å; I18-W26 HydrophobicContact CB-CH2 4.45Å; I18-W26 HydrophobicContact CB-CZ2 3.97Å; I18-W26 HydrophobicContact CD1-CZ2 4.22Å; I18-W26 HydrophobicContact CG2-CD2 4.49Å; I18-W26 HydrophobicContact CG2-CH2 3.68Å; I18-W26 HydrophobicContact CG2-CZ2 3.47Å; I18-W26 VanDerWaalsContact CG2-CZ2 3.47Å; I18-W26 HydrophobicContact CG2-CZ3 4.3Å; I18-W26 PolarHBondContact N-O 3.42Å; I18-W26 PolarHBondContact O-N 2.84Å; I18-E28 HydrophobicContact CD1-CB 3.4Å; I18-E28 VanDerWaalsContact CD1-CB 3.4Å; I18-E28 HydrophobicContact CD1-CG 4.15Å; I18-C43 HydrophobicContact CD1-CB 4.49Å; I18-C43 WeakPolarHBondContact CD1-SG 3.22Å; I18-L89 CarbonylContact C-O 3.56Å; I18-L89 WeakPolarHBondContact CA-O 3.37Å; I18-L91 HydrophobicContact CG2-CB 4.35Å
19C88Confident80.6Confident25 Ų2572.2 Ų72.217%0.16939%0.388CS..EExtended strand (participates in β ladder)trans-119.6136.6178.4-60.20000110.2T24 L89 L90 L91C19-T24 CarbonylContact C-O 3.56Å; C19-T24 WeakPolarHBondContact CA-O 3.42Å; C19-L89 PolarHBondContact N-O 3.25Å; C19-L90 HydrophobicContact CB-CD2 3.95Å; C19-L90 WeakPolarHBondContact O-CA 3.33Å; C19-L91 PolarHBondContact O-N 3.02Å
20T85.8Confident82.6Confident8 Ų862.4 Ų62.45%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-96.1162.7174.264.60000111.5E22 G23 T24 W26 Y47 L91T20-E22 PolarHBondContact O-N 3.05Å; T20-E22 VanDerWaalsContact O-N 3.11Å; T20-E22 PolarHBondContact OG1-N 2.89Å; T20-G23 PolarHBondContact O-N 3.48Å; T20-G23 VanDerWaalsContact O-N 3.08Å; T20-T24 PolarHBondContact N-O 3.44Å; T20-T24 VanDerWaalsContact OG1-CB 3.3Å; T20-T24 WeakPolarHBondContact OG1-CB 3.36Å; T20-T24 PolarHBondContact OG1-N 3.04Å; T20-T24 VanDerWaalsContact OG1-N 3.11Å; T20-T24 PolarHBondContact OG1-O 3.1Å; T20-T24 PolarHBondContact OG1-OG1 3.47Å; T20-W26 HydrophobicContact CG2-CH2 3.8Å; T20-W26 HydrophobicContact CG2-CZ3 3.62Å; T20-Y47 HydrophobicContact CG2-CD2 3.69Å; T20-Y47 HydrophobicContact CG2-CE2 3.86Å; T20-Y47 HydrophobicContact CG2-CG 4.13Å; T20-L91 HydrophobicContact CG2-CD2 4.5Å
21M78.9Confident84.4Confident116 Ų11659.7 Ų59.757%0.57132%0.318SS*.THydrogen-bonded Turntrans-63.4-9.6170.360170.347.700114.4I92 K93M21-I92 HydrophobicContact CE-CB 4.49Å; M21-I92 HydrophobicContact CE-CG2 3.81Å; M21-K93 HydrophobicContact CE-CB 4.27Å; M21-K93 HydrophobicContact SD-CB 4.42Å
22E77.1Confident85.5Confident139 Ų13961 Ų6165%0.6532%0.315SS*.THydrogen-bonded Turntrans-97.85.4176.4-66.4173.1154.600112.3T20 T24 Y47T20-E22 PolarHBondContact O-N 3.05Å; T20-E22 VanDerWaalsContact O-N 3.11Å; T20-E22 PolarHBondContact OG1-N 2.89Å; E22-T24 VanDerWaalsContact C-N 3.34Å; E22-Y47 VanDerWaalsContact OE2-CE2 3.31Å; E22-Y47 WeakPolarHBondContact OE2-CE2 3.48Å; E22-Y47 PolarHBondContact OE2-OH 2.58Å
23G74.6Confident85.8Confident67 Ų6760.5 Ų60.569%0.69132%0.318SS*.SBendtrans79.511.8178.200000114.7T20T20-G23 PolarHBondContact O-N 3.48Å; T20-G23 VanDerWaalsContact O-N 3.08Å
24T83.4Confident85.9Confident69 Ų6956.8 Ų56.842%0.42330%0.3SS..  trans-76.6127.7170.8-34.90000109.3C19 T20 E22 W26C19-T24 CarbonylContact C-O 3.56Å; C19-T24 WeakPolarHBondContact CA-O 3.42Å; T20-T24 PolarHBondContact N-O 3.44Å; T20-T24 VanDerWaalsContact OG1-CB 3.3Å; T20-T24 WeakPolarHBondContact OG1-CB 3.36Å; T20-T24 PolarHBondContact OG1-N 3.04Å; T20-T24 VanDerWaalsContact OG1-N 3.11Å; T20-T24 PolarHBondContact OG1-O 3.1Å; T20-T24 PolarHBondContact OG1-OG1 3.47Å; E22-T24 VanDerWaalsContact C-N 3.34Å; T24-W26 HydrophobicContact CG2-CE3 4.26Å; T24-W26 HydrophobicContact CG2-CZ3 4.31Å
25E88Confident86Confident143 Ų14358.4 Ų58.467%0.66831%0.31SS*.EExtended strand (participates in β ladder)trans-121.6142.9173.163177.7-171.100112I18I18-E25 VanDerWaalsContact O-CA 3.27Å; I18-E25 WeakPolarHBondContact O-CA 3.5Å
26W88.9Confident86Confident28 Ų2854.4 Ų54.411%0.10629%0.293CS..EExtended strand (participates in β ladder)trans-149.6173.4169.367.498.7000111.2H17 I18 T20 T24 C43 H46H17-W26 WeakPolarHBondContact CA-O 3.38Å; I18-W26 HydrophobicContact CB-CD2 4.24Å; I18-W26 HydrophobicContact CB-CH2 4.45Å; I18-W26 HydrophobicContact CB-CZ2 3.97Å; I18-W26 HydrophobicContact CD1-CZ2 4.22Å; I18-W26 HydrophobicContact CG2-CD2 4.49Å; I18-W26 HydrophobicContact CG2-CH2 3.68Å; I18-W26 HydrophobicContact CG2-CZ2 3.47Å; I18-W26 VanDerWaalsContact CG2-CZ2 3.47Å; I18-W26 HydrophobicContact CG2-CZ3 4.3Å; I18-W26 PolarHBondContact N-O 3.42Å; I18-W26 PolarHBondContact O-N 2.84Å; T20-W26 HydrophobicContact CG2-CH2 3.8Å; T20-W26 HydrophobicContact CG2-CZ3 3.62Å; T24-W26 HydrophobicContact CG2-CE3 4.26Å; T24-W26 HydrophobicContact CG2-CZ3 4.31Å; W26-C43 HydrophobicContact CZ2-CB 4.31Å; W26-C43 WeakPolarHBondContact CZ2-O 3.21Å; W26-H46 AromaticContact CD1-CE1 3.86Å; W26-H46 AromaticContact CD1-ND1 3.54Å; W26-H46 AromaticContact CD2-ND1 3.4Å; W26-H46 AromaticContact CE2-CG 3.97Å; W26-H46 AromaticContact CE2-ND1 3.49Å; W26-H46 AromaticContact CE3-ND1 3.98Å; W26-H46 AromaticContact CG-CE1 3.7Å; W26-H46 AromaticContact CG-ND1 3.47Å; W26-H46 HydrophobicContact CZ2-CB 4.07Å; W26-H46 AromaticContact NE1-CG 3.76Å; W26-H46 AromaticContact NE1-ND1 3.54Å
27L89.2Confident85.9Confident80 Ų8059.1 Ų59.142%0.41932%0.315SS..EExtended strand (participates in β ladder)trans-114124.3179.2-167.773.4000109.1K15K15-L27 HydrophobicContact CB-CD1 3.91Å; K15-L27 HydrophobicContact CB-CD2 4.02Å; K15-L27 HydrophobicContact CB-CG 4.04Å; K15-L27 HydrophobicContact CD-CD2 4.03Å
28E87.7Confident85.7Confident30 Ų3062 Ų6214%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-110.6136.9177.3-177.974.1-141.900109.8I16 I18 V30 L39 K42I16-E28 PolarHBondContact N-O 3.02Å; I16-E28 PolarHBondContact O-N 3.11Å; I18-E28 HydrophobicContact CD1-CB 3.4Å; I18-E28 VanDerWaalsContact CD1-CB 3.4Å; I18-E28 HydrophobicContact CD1-CG 4.15Å; E28-V30 HydrophobicContact CB-CG2 4.34Å; E28-V30 HydrophobicContact CG-CG2 3.76Å; E28-L39 HydrophobicContact CG-CD1 4.04Å; E28-K42 HydrophobicContact CG-CD 4.47Å; E28-K42 WeakPolarHBondContact OE1-CD 3.4Å; E28-K42 WeakPolarHBondContact OE1-CE 3.34Å; E28-K42 IonicContact OE1-NZ 2.7Å; E28-K42 PolarHBondContact OE1-NZ 3.45Å
29E88.3Confident85.6Confident96 Ų9662 Ų6245%0.44933%0.326SS..EExtended strand (participates in β ladder)trans-97124.6176.5-59.3-164.4171.800110.3I13 K15 K42I13-E29 HydrophobicContact CG2-CB 4.04Å; K15-E29 HydrophobicContact CD-CG 4.46Å; K15-E29 VanDerWaalsContact CE-OE1 3.24Å; K15-E29 WeakPolarHBondContact CE-OE1 3.36Å; K15-E29 HydrophobicContact CG-CG 4.33Å; K15-E29 IonicContact NZ-OE1 3.94Å; K15-E29 PolarHBondContact NZ-OE1 2.77Å; E29-K42 PolarHBondContact O-NZ 3.35Å
30V87.9Confident85.5Confident2 Ų260.8 Ų60.81%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-139.6138.5-166.4-161.30000109.7I13 L14 I16 E28 T34 L39 V78I13-V30 WeakPolarHBondContact CA-O 3.35Å; L14-V30 PolarHBondContact N-O 2.97Å; L14-V30 PolarHBondContact O-N 3.47Å; I16-V30 HydrophobicContact CD1-CB 4.22Å; I16-V30 HydrophobicContact CD1-CG2 4.02Å; I16-V30 HydrophobicContact CG1-CG2 4.36Å; E28-V30 HydrophobicContact CB-CG2 4.34Å; E28-V30 HydrophobicContact CG-CG2 3.76Å; V30-T34 HydrophobicContact CG1-CG2 3.79Å; V30-L39 HydrophobicContact CG1-CD1 4.31Å; V30-L39 HydrophobicContact CG2-CD1 3.57Å; V30-V78 HydrophobicContact CG1-CG2 3.85Å
31T87.4Confident85.5Confident41 Ų4163.7 Ų63.725%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-90.1150.7173.958.90000110.9I13 D33 T34I13-T31 HydrophobicContact CG1-CG2 4.3Å; T31-D33 WeakPolarHBondContact CB-OD1 3.4Å; T31-D33 PolarHBondContact O-N 3.11Å; T31-D33 VanDerWaalsContact O-N 3.14Å; T31-D33 PolarHBondContact OG1-OD1 3.39Å; T31-T34 VanDerWaalsContact O-CB 3.3Å; T31-T34 WeakPolarHBondContact O-CB 3.39Å; T31-T34 PolarHBondContact O-N 2.9Å; T31-T34 PolarHBondContact O-OG1 2.9Å; T31-T34 PolarHBondContact OG1-OG1 3.17Å
32E83.1Confident85.7Confident63 Ų6361.9 Ų61.929%0.29432%0.32SS..THydrogen-bonded Turntrans-57.9-25.7-178.2-75.1174.1170.300114.7K12 L14 S79K12-E32 HydrophobicContact CB-CG 4.42Å; K12-E32 WeakPolarHBondContact CD-OE1 3.3Å; K12-E32 IonicContact NZ-OE1 3.58Å; K12-E32 PolarHBondContact NZ-OE1 3.08Å; K12-E32 PolarHBondContact O-N 3.44Å; L14-E32 HydrophobicContact CD1-CG 3.93Å; L14-E32 HydrophobicContact CG-CG 4.21Å; E32-S79 PolarHBondContact O-N 3.33Å; E32-S79 PolarHBondContact O-OG 3.42Å
33D83.8Confident86.1Confident112 Ų11255.2 Ų55.260%0.59929%0.289SS*.THydrogen-bonded Turntrans-84.4-8.4176.967.7-54.5000114.3T31T31-D33 WeakPolarHBondContact CB-OD1 3.4Å; T31-D33 PolarHBondContact O-N 3.11Å; T31-D33 VanDerWaalsContact O-N 3.14Å; T31-D33 PolarHBondContact OG1-OD1 3.39Å
34T86.1Confident86.5Confident22 Ų2252.1 Ų52.114%0.13526%0.257CS..SBendtrans-67.4136.4176.3-65.50000110.6V30 T31 K38 T77 V78V30-T34 HydrophobicContact CG1-CG2 3.79Å; T31-T34 VanDerWaalsContact O-CB 3.3Å; T31-T34 WeakPolarHBondContact O-CB 3.39Å; T31-T34 PolarHBondContact O-N 2.9Å; T31-T34 PolarHBondContact O-OG1 2.9Å; T31-T34 PolarHBondContact OG1-OG1 3.17Å; T34-K38 HydrophobicContact CG2-CB 3.89Å; T34-T77 CarbonylContact O-C 3.58Å; T34-T77 WeakPolarHBondContact O-CA 3.41Å; T34-V78 WeakPolarHBondContact O-CG2 3.41Å; T34-V78 PolarHBondContact O-N 3.31Å
35T89.7Confident86.3Confident35 Ų3554 Ų5422%0.21526%0.259CS..BIsolated β-bridgetrans-75.8149174.457.70000112.1E37 K38 L39 K76T35-E37 PolarHBondContact O-N 2.79Å; T35-K38 PolarHBondContact O-N 2.96Å; T35-K38 WeakPolarHBondContact OG1-CG 3.37Å; T35-K38 PolarHBondContact OG1-N 2.89Å; T35-L39 PolarHBondContact O-N 3.45Å; T35-K76 CarbonylContact C-O 3.57Å; T35-K76 VanDerWaalsContact CA-O 3.27Å; T35-K76 WeakPolarHBondContact CA-O 3.33Å
36I88.6Confident85.5Confident1 Ų151.5 Ų51.51%0.00525%0.247CC..Hα-helixtrans-58.6-33.2175.8-62.1-52.1000111.1L39 K40 L63 L72 M73 K76 V78 L83I36-L39 HydrophobicContact CD1-CD2 4.46Å; I36-L39 PolarHBondContact O-N 3.11Å; I36-K40 WeakPolarHBondContact O-CB 3.42Å; I36-K40 PolarHBondContact O-N 2.88Å; I36-L63 HydrophobicContact CG2-CD1 4.26Å; I36-L72 HydrophobicContact CD1-CD1 4.14Å; I36-L72 HydrophobicContact CG1-CB 4.46Å; I36-L72 HydrophobicContact CG2-CB 3.74Å; I36-L72 HydrophobicContact CG2-CD1 4.47Å; I36-M73 WeakPolarHBondContact CB-O 3.27Å; I36-K76 PolarHBondContact N-O 3.03Å; I36-V78 HydrophobicContact CD1-CG2 4.02Å; I36-L83 HydrophobicContact CD1-CD1 4.01Å
37E87.2Confident84.6Confident98 Ų9853.3 Ų53.346%0.45826%0.255SS..Hα-helixtrans-58.6-49.6170.6-174.6176.3-149.300113T35 L39 K40 E41 E74T35-E37 PolarHBondContact O-N 2.79Å; E37-L39 PolarHBondContact O-N 3.02Å; E37-K40 WeakPolarHBondContact O-CB 3.3Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-E41 PolarHBondContact O-N 2.8Å; E37-E74 HydrophobicContact CB-CB 4.25Å; E37-E74 WeakPolarHBondContact CB-O 3.42Å; E37-E74 PolarHBondContact N-O 2.84Å
38K85.7Confident83.5Confident126 Ų12653 Ų5355%0.54826%0.256SS..Hα-helixtrans-65.9-37.3177.6-73.8174-179.4175.70112.3T34 T35 E41 K42T34-K38 HydrophobicContact CG2-CB 3.89Å; T35-K38 PolarHBondContact O-N 2.96Å; T35-K38 WeakPolarHBondContact OG1-CG 3.37Å; T35-K38 PolarHBondContact OG1-N 2.89Å; K38-E41 PolarHBondContact O-N 2.98Å; K38-K42 PolarHBondContact O-N 3.28Å
39L87.8Confident81.7Confident0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-62.1-47.1172.8176.152.2000110.9I16 E28 V30 T35 I36 E37 E41 K42 C43 L63 V78 L89I16-L39 HydrophobicContact CD1-CD2 4.13Å; E28-L39 HydrophobicContact CG-CD1 4.04Å; V30-L39 HydrophobicContact CG1-CD1 4.31Å; V30-L39 HydrophobicContact CG2-CD1 3.57Å; T35-L39 PolarHBondContact O-N 3.45Å; I36-L39 HydrophobicContact CD1-CD2 4.46Å; I36-L39 PolarHBondContact O-N 3.11Å; E37-L39 PolarHBondContact O-N 3.02Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.38Å; L39-K42 WeakPolarHBondContact O-CB 3.47Å; L39-K42 PolarHBondContact O-N 3.4Å; L39-C43 PolarHBondContact O-N 2.88Å; L39-C43 PolarHBondContact O-SG 3.37Å; L39-L63 HydrophobicContact CG-CD1 4.19Å; L39-V78 HydrophobicContact CD2-CG2 4.1Å; L39-L89 HydrophobicContact CD2-CD1 3.81Å
40K86.9Confident79.6Confident1 Ų157.5 Ų57.50%0.00429%0.288CS..Hα-helixtrans-61.6-37.7176.2-178.6-174.5171.9-170.80112.4I36 E37 C43 L44 L58 H61 L63 E74I36-K40 WeakPolarHBondContact O-CB 3.42Å; I36-K40 PolarHBondContact O-N 2.88Å; E37-K40 WeakPolarHBondContact O-CB 3.3Å; E37-K40 PolarHBondContact O-N 3.41Å; K40-C43 WeakPolarHBondContact O-CB 3.49Å; K40-C43 PolarHBondContact O-N 2.79Å; K40-L44 HydrophobicContact CG-CD1 4.35Å; K40-L44 WeakPolarHBondContact O-CG 3.48Å; K40-L44 PolarHBondContact O-N 3.43Å; K40-L58 HydrophobicContact CB-CD2 4.49Å; K40-L58 HydrophobicContact CD-CD2 4.04Å; K40-L58 WeakPolarHBondContact CE-O 3.47Å; K40-L58 HydrophobicContact CG-CD2 4.01Å; K40-L58 PolarHBondContact NZ-O 3.04Å; K40-H61 VanDerWaalsContact CE-O 3.23Å; K40-H61 WeakPolarHBondContact CE-O 3.38Å; K40-H61 PolarHBondContact NZ-O 3.3Å; K40-L63 HydrophobicContact CB-CD1 3.78Å; K40-L63 HydrophobicContact CB-CG 4.25Å; K40-L63 HydrophobicContact CG-CD1 4.43Å; K40-L63 HydrophobicContact CG-CG 4.36Å; K40-E74 HydrophobicContact CD-CG 4.15Å; K40-E74 IonicContact NZ-OE1 2.71Å; K40-E74 PolarHBondContact NZ-OE1 2.88Å; K40-E74 IonicContact NZ-OE2 3.12Å; K40-E74 PolarHBondContact NZ-OE2 3.36Å
41E85.5Confident77.6Confident69 Ų6962 Ų6232%0.32232%0.32SS..Hα-helixtrans-63.1-47.5173-161.1-153.6174.500111.5E37 K38 L39 C43 L44 K45 L52 L58E37-E41 PolarHBondContact O-N 2.8Å; K38-E41 PolarHBondContact O-N 2.98Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.38Å; E41-C43 PolarHBondContact O-N 3.27Å; E41-L44 PolarHBondContact O-N 3.21Å; E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.12Å; E41-K45 WeakPolarHBondContact OE1-CE 3.4Å; E41-K45 IonicContact OE1-NZ 2.7Å; E41-K45 PolarHBondContact OE1-NZ 2.68Å; E41-K45 IonicContact OE2-NZ 2.71Å; E41-K45 PolarHBondContact OE2-NZ 2.75Å; E41-L52 HydrophobicContact CG-CD1 3.93Å; E41-L58 HydrophobicContact CB-CD2 4.37Å
42K83.8Confident76Confident77 Ų7762.4 Ų62.434%0.33532%0.32SS..Hα-helixtrans-55-48.4171.5-77169.1144.5-127.10111.7E28 E29 K38 L39 L44 K45 H46E28-K42 HydrophobicContact CG-CD 4.47Å; E28-K42 WeakPolarHBondContact OE1-CD 3.4Å; E28-K42 WeakPolarHBondContact OE1-CE 3.34Å; E28-K42 IonicContact OE1-NZ 2.7Å; E28-K42 PolarHBondContact OE1-NZ 3.45Å; E29-K42 PolarHBondContact O-NZ 3.35Å; K38-K42 PolarHBondContact O-N 3.28Å; L39-K42 WeakPolarHBondContact O-CB 3.47Å; L39-K42 PolarHBondContact O-N 3.4Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 3.45Å; K42-K45 PolarHBondContact O-N 3.33Å; K42-H46 PolarHBondContact O-N 2.6Å; K42-H46 VanDerWaalsContact O-N 3.09Å
43C85.2Confident74.6Confident0 Ų067.5 Ų67.50%034%0.344CS..Hα-helixtrans-55.9-43.4178.1-61.80000111.8I18 W26 L39 K40 E41 H46 Y47 L91I18-C43 HydrophobicContact CD1-CB 4.49Å; I18-C43 WeakPolarHBondContact CD1-SG 3.22Å; W26-C43 HydrophobicContact CZ2-CB 4.31Å; W26-C43 WeakPolarHBondContact CZ2-O 3.21Å; L39-C43 PolarHBondContact O-N 2.88Å; L39-C43 PolarHBondContact O-SG 3.37Å; K40-C43 WeakPolarHBondContact O-CB 3.49Å; K40-C43 PolarHBondContact O-N 2.79Å; E41-C43 PolarHBondContact O-N 3.27Å; C43-H46 PolarHBondContact O-N 3.28Å; C43-Y47 WeakPolarHBondContact O-CB 3.32Å; C43-Y47 PolarHBondContact O-N 2.77Å; C43-L91 HydrophobicContact CB-CD2 4.19Å
44L82Confident73.4Confident1 Ų166 Ų661%0.00534%0.336CS..Hα-helixtrans-70.9-36.3-179.9-72.5167000112.7K40 E41 K42 H46 Y47 V48 L52 L58 H61 L91K40-L44 HydrophobicContact CG-CD1 4.35Å; K40-L44 WeakPolarHBondContact O-CG 3.48Å; K40-L44 PolarHBondContact O-N 3.43Å; E41-L44 PolarHBondContact O-N 3.21Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 3.45Å; L44-H46 VanDerWaalsContact C-N 3.29Å; L44-H46 PolarHBondContact O-N 2.85Å; L44-Y47 PolarHBondContact O-N 3.48Å; L44-V48 PolarHBondContact O-N 2.91Å; L44-L52 HydrophobicContact CB-CD1 4.15Å; L44-L52 HydrophobicContact CB-CD2 4.32Å; L44-L58 HydrophobicContact CD1-CD2 3.87Å; L44-L58 HydrophobicContact CD1-CG 4.29Å; L44-H61 HydrophobicContact CD2-CB 4.37Å; L44-L91 HydrophobicContact CD2-CD1 4.43Å; L44-L91 HydrophobicContact CD2-CD2 4.19Å
45K78.5Confident72.2Confident108 Ų10869.8 Ų69.847%0.4736%0.361SS..Hα-helixtrans-63.6-32.5172.9-70.4173.4-177166.60112.9E41 K42 L52E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.12Å; E41-K45 WeakPolarHBondContact OE1-CE 3.4Å; E41-K45 IonicContact OE1-NZ 2.7Å; E41-K45 PolarHBondContact OE1-NZ 2.68Å; E41-K45 IonicContact OE2-NZ 2.71Å; E41-K45 PolarHBondContact OE2-NZ 2.75Å; K42-K45 PolarHBondContact O-N 3.33Å; K45-L52 HydrophobicContact CD-CD1 4.42Å; K45-L52 HydrophobicContact CG-CD1 3.57Å; K45-L52 HydrophobicContact CG-CG 4.33Å
46H73.1Confident70.9Confident92 Ų9274.1 Ų74.143%0.42638%0.377SS..Hα-helixtrans-80.3-41.4177.8-159.4-98.3000111.8W26 K42 C43 L44 H49W26-H46 AromaticContact CD1-CE1 3.86Å; W26-H46 AromaticContact CD1-ND1 3.54Å; W26-H46 AromaticContact CD2-ND1 3.4Å; W26-H46 AromaticContact CE2-CG 3.97Å; W26-H46 AromaticContact CE2-ND1 3.49Å; W26-H46 AromaticContact CE3-ND1 3.98Å; W26-H46 AromaticContact CG-CE1 3.7Å; W26-H46 AromaticContact CG-ND1 3.47Å; W26-H46 HydrophobicContact CZ2-CB 4.07Å; W26-H46 AromaticContact NE1-CG 3.76Å; W26-H46 AromaticContact NE1-ND1 3.54Å; K42-H46 PolarHBondContact O-N 2.6Å; K42-H46 VanDerWaalsContact O-N 3.09Å; C43-H46 PolarHBondContact O-N 3.28Å; L44-H46 VanDerWaalsContact C-N 3.29Å; L44-H46 PolarHBondContact O-N 2.85Å; H46-H49 PolarHBondContact O-CE1 2.87Å; H46-H49 VanDerWaalsContact O-CE1 3.27Å; H46-H49 PolarHBondContact O-ND1 2.76Å
47Y69.3Low70Confident66 Ų6676.1 Ų76.126%0.25939%0.389SS..Hα-helixtrans-69.7-45.9179.2178.6-133000113.1T20 E22 C43 L44 L91T20-Y47 HydrophobicContact CG2-CD2 3.69Å; T20-Y47 HydrophobicContact CG2-CE2 3.86Å; T20-Y47 HydrophobicContact CG2-CG 4.13Å; E22-Y47 VanDerWaalsContact OE2-CE2 3.31Å; E22-Y47 WeakPolarHBondContact OE2-CE2 3.48Å; E22-Y47 PolarHBondContact OE2-OH 2.58Å; C43-Y47 WeakPolarHBondContact O-CB 3.32Å; C43-Y47 PolarHBondContact O-N 2.77Å; L44-Y47 PolarHBondContact O-N 3.48Å; Y47-L91 HydrophobicContact CD1-CD2 4.02Å; Y47-L91 HydrophobicContact CG-CD2 4.32Å
48V64.9Low69.2Low73 Ų7373 Ų7344%0.44238%0.376SS..SBendtrans-97.5103.2176-175.90000108.4L44 G50L44-V48 PolarHBondContact O-N 2.91Å; V48-G50 PolarHBondContact O-N 2.92Å
49H50Low68.6Low175 Ų17571 Ų7181%0.8137%0.374SS*.SBendtrans-70.867.8174.2-80.839.7000111.5H46H46-H49 PolarHBondContact O-CE1 2.87Å; H46-H49 VanDerWaalsContact O-CE1 3.27Å; H46-H49 PolarHBondContact O-ND1 2.76Å
50G44.6Very low68.1Low45 Ų4574.6 Ų74.646%0.46439%0.391SS..SBendtrans-176.7159.6-177.200000111.2V48V48-G50 PolarHBondContact O-N 2.92Å
51S45.7Very low67.9Low98 Ų9875.3 Ų75.369%0.68539%0.394SS*.  trans-62.1136.9-175.3-172.10000112.5E53S51-E53 PolarHBondContact O-N 3.49Å; S51-E53 WeakPolarHBondContact OG-CG 3.46Å
52L55.4Low67.9Low48 Ų4874.7 Ų74.725%0.25139%0.39SS..  trans-77.871.2172.1-85.3173.6000110.6E41 L44 K45 D54 T57E41-L52 HydrophobicContact CG-CD1 3.93Å; L44-L52 HydrophobicContact CB-CD1 4.15Å; L44-L52 HydrophobicContact CB-CD2 4.32Å; K45-L52 HydrophobicContact CD-CD1 4.42Å; K45-L52 HydrophobicContact CG-CD1 3.57Å; K45-L52 HydrophobicContact CG-CG 4.33Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-T57 HydrophobicContact CD2-CG2 4.34Å; L52-T57 VanDerWaalsContact CD2-OG1 3.28Å; L52-T57 WeakPolarHBondContact CD2-OG1 3.46Å
53E52.3Low68.1Low170 Ų17071.1 Ų71.179%0.79438%0.375SS*.  trans-80.2-13-179.6-60-173.2153.800113.4S51S51-E53 PolarHBondContact O-N 3.49Å; S51-E53 WeakPolarHBondContact OG-CG 3.46Å
54D58.1Low68.3Low80 Ų8071.7 Ų71.743%0.42838%0.378SS..  trans-121.8102.2-171-156.6-11.8000111.5L52 K56 T57L52-D54 VanDerWaalsContact C-N 3.33Å; D54-K56 PolarHBondContact O-N 3.4Å; D54-T57 HydrophobicContact CB-CG2 4.29Å; D54-T57 WeakPolarHBondContact O-CB 3.37Å; D54-T57 WeakPolarHBondContact O-CG2 3.1Å; D54-T57 PolarHBondContact O-N 2.98Å; D54-T57 PolarHBondContact O-OG1 2.97Å
55P61.8Low68.7Low102 Ų10272.3 Ų72.366%0.66238%0.381SS*.THydrogen-bonded Turntrans-57.3-20.2-178.2-2835.7000114.8T57 L58P55-T57 PolarHBondContact O-N 2.91Å; P55-L58 PolarHBondContact O-N 3.44Å
56K63.2Low69.1Low126 Ų12669.1 Ų69.155%0.54838%0.375SS..Hα-helixtrans-64.9-21175.3-62166.6-169.4154.80112.6D54 L58 T59 H60D54-K56 PolarHBondContact O-N 3.4Å; K56-L58 VanDerWaalsContact C-N 3.29Å; K56-L58 PolarHBondContact O-N 2.86Å; K56-T59 PolarHBondContact O-N 3.41Å; K56-T59 PolarHBondContact O-OG1 2.68Å; K56-T59 VanDerWaalsContact O-OG1 3.06Å; K56-H60 VanDerWaalsContact O-CB 3.32Å; K56-H60 WeakPolarHBondContact O-CB 3.4Å; K56-H60 PolarHBondContact O-N 2.89Å; K56-H60 PolarHBondContact O-ND1 2.93Å
57T68.5Low69.7Low43 Ų4368.6 Ų68.626%0.26439%0.387SS..Hα-helixtrans-60.2-38.2174.2550000112.2L52 D54 P55 H61L52-T57 HydrophobicContact CD2-CG2 4.34Å; L52-T57 VanDerWaalsContact CD2-OG1 3.28Å; L52-T57 WeakPolarHBondContact CD2-OG1 3.46Å; D54-T57 HydrophobicContact CB-CG2 4.29Å; D54-T57 WeakPolarHBondContact O-CB 3.37Å; D54-T57 WeakPolarHBondContact O-CG2 3.1Å; D54-T57 PolarHBondContact O-N 2.98Å; D54-T57 PolarHBondContact O-OG1 2.97Å; P55-T57 PolarHBondContact O-N 2.91Å; T57-H61 PolarHBondContact O-ND1 2.91Å
58L71.6Confident70.3Confident33 Ų3369.8 Ų69.817%0.17340%0.401CS..Hα-helixtrans-62.6-56.2173-78.7161.4000110K40 E41 L44 P55 K56 H60 H61K40-L58 HydrophobicContact CB-CD2 4.49Å; K40-L58 HydrophobicContact CD-CD2 4.04Å; K40-L58 WeakPolarHBondContact CE-O 3.47Å; K40-L58 HydrophobicContact CG-CD2 4.01Å; K40-L58 PolarHBondContact NZ-O 3.04Å; E41-L58 HydrophobicContact CB-CD2 4.37Å; L44-L58 HydrophobicContact CD1-CD2 3.87Å; L44-L58 HydrophobicContact CD1-CG 4.29Å; P55-L58 PolarHBondContact O-N 3.44Å; K56-L58 VanDerWaalsContact C-N 3.29Å; K56-L58 PolarHBondContact O-N 2.86Å; L58-H60 PolarHBondContact O-N 2.91Å; L58-H60 VanDerWaalsContact O-N 3.13Å; L58-H61 PolarHBondContact O-N 3.47Å
59T72.1Confident71.2Confident83 Ų8374.5 Ų74.551%0.50942%0.418SS..Hα-helixtrans-59.6-32.2-176.866.70000112.4K56 H61 K94K56-T59 PolarHBondContact O-N 3.41Å; K56-T59 PolarHBondContact O-OG1 2.68Å; K56-T59 VanDerWaalsContact O-OG1 3.06Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.28Å; T59-K94 WeakPolarHBondContact O-CD 3.46Å; T59-K94 WeakPolarHBondContact O-CE 3.24Å; T59-K94 PolarHBondContact O-NZ 2.92Å
60H77.9Confident72.8Confident76 Ų7671.7 Ų71.735%0.35240%0.4SS..THydrogen-bonded Turntrans-74-3.5176-66.5168000116K56 L58 K94K56-H60 VanDerWaalsContact O-CB 3.32Å; K56-H60 WeakPolarHBondContact O-CB 3.4Å; K56-H60 PolarHBondContact O-N 2.89Å; K56-H60 PolarHBondContact O-ND1 2.93Å; L58-H60 PolarHBondContact O-N 2.91Å; L58-H60 VanDerWaalsContact O-N 3.13Å; H60-K94 WeakPolarHBondContact O-CB 3.26Å; H60-K94 PolarHBondContact O-N 2.89Å
61H82.3Confident74.8Confident17 Ų1773.8 Ų73.88%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-122.9161.7175.1-65.388.1000112.3K40 L44 T57 L58 T59 L91 I92 K93 K94K40-H61 VanDerWaalsContact CE-O 3.23Å; K40-H61 WeakPolarHBondContact CE-O 3.38Å; K40-H61 PolarHBondContact NZ-O 3.3Å; L44-H61 HydrophobicContact CD2-CB 4.37Å; T57-H61 PolarHBondContact O-ND1 2.91Å; L58-H61 PolarHBondContact O-N 3.47Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.28Å; H61-L91 HydrophobicContact CB-CD1 4.07Å; H61-I92 CarbonylContact C-O 3.59Å; H61-I92 WeakPolarHBondContact CA-O 3.17Å; H61-K93 VanDerWaalsContact CD2-CA 3.48Å; H61-K93 WeakPolarHBondContact CD2-CA 3.42Å; H61-K94 WeakPolarHBondContact O-CE 3.38Å; H61-K94 PolarHBondContact O-NZ 3.4Å
62K86.3Confident76.8Confident56 Ų5669.3 Ų69.324%0.24337%0.368CS..EExtended strand (participates in β ladder)trans-135.9148.316960.7172.2-174.8167.20110.1V64 I71 I92 K94K62-V64 HydrophobicContact CD-CG2 3.9Å; K62-V64 HydrophobicContact CG-CG2 4.18Å; K62-I71 HydrophobicContact CB-CG2 4.1Å; K62-I71 HydrophobicContact CD-CD1 3.88Å; K62-I71 HydrophobicContact CD-CG1 4.08Å; K62-I71 HydrophobicContact CD-CG2 4.15Å; K62-I92 HydrophobicContact CG-CB 3.99Å; K62-I92 HydrophobicContact CG-CG2 4.45Å; K62-I92 PolarHBondContact N-O 3.42Å; K62-I92 PolarHBondContact O-N 3.05Å; K62-K94 HydrophobicContact CG-CG 4.44Å
63L88Confident78.1Confident2 Ų271 Ų711%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-94.3137.2162.9-69.3173.2000108.7I36 L39 K40 L72 L89 L90 L91I36-L63 HydrophobicContact CG2-CD1 4.26Å; L39-L63 HydrophobicContact CG-CD1 4.19Å; K40-L63 HydrophobicContact CB-CD1 3.78Å; K40-L63 HydrophobicContact CB-CG 4.25Å; K40-L63 HydrophobicContact CG-CD1 4.43Å; K40-L63 HydrophobicContact CG-CG 4.36Å; L63-L72 HydrophobicContact CB-CB 4.42Å; L63-L72 HydrophobicContact CB-CD1 4.19Å; L63-L72 PolarHBondContact O-N 2.68Å; L63-L89 HydrophobicContact CD1-CD1 4.27Å; L63-L89 HydrophobicContact CD2-CB 4.42Å; L63-L90 WeakPolarHBondContact CA-O 3.48Å; L63-L91 HydrophobicContact CD2-CB 4.22Å; L63-L91 HydrophobicContact CD2-CD1 3.94Å
64V88.8Confident79.7Confident12 Ų1265.6 Ų65.67%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-125.6126.3174.9-177.90000108.2K62 A66 R70 I71 L89 L90 I92K62-V64 HydrophobicContact CD-CG2 3.9Å; K62-V64 HydrophobicContact CG-CG2 4.18Å; V64-A66 PolarHBondContact O-N 2.93Å; V64-R70 CarbonylContact C-O 3.59Å; V64-R70 WeakPolarHBondContact CA-O 3.46Å; V64-I71 HydrophobicContact CG2-CG1 4.15Å; V64-L89 CarbonylContact O-C 3.52Å; V64-L89 WeakPolarHBondContact O-CA 3.33Å; V64-L90 HydrophobicContact CB-CB 4.34Å; V64-L90 PolarHBondContact N-O 2.81Å; V64-L90 PolarHBondContact O-N 2.89Å; V64-I92 HydrophobicContact CB-CD1 4.38Å; V64-I92 HydrophobicContact CG2-CD1 3.9Å
65H90.1Very high81Confident14 Ų1468 Ų687%0.06537%0.368CS..EExtended strand (participates in β ladder)trans-77.6120.5175.4176.2-123.6000110A67 T68 E69 R70 L72 L83 D87 V88 L89H65-A67 PolarHBondContact O-N 3.18Å; H65-T68 PolarHBondContact ND1-OG1 3.08Å; H65-T68 PolarHBondContact O-N 3.05Å; H65-E69 WeakPolarHBondContact O-CA 3.47Å; H65-E69 PolarHBondContact O-N 2.96Å; H65-R70 PolarHBondContact N-O 3.23Å; H65-L72 HydrophobicContact CB-CD2 4.01Å; H65-L72 HydrophobicContact CB-CG 4.41Å; H65-L83 HydrophobicContact CB-CD2 4.31Å; H65-D87 IonicContact NE2-OD1 3.54Å; H65-D87 IonicContact NE2-OD2 2.77Å; H65-V88 PolarHBondContact CD2-O 3.02Å; H65-L89 HydrophobicContact CB-CD2 3.9Å
66A86.3Confident82.2Confident41 Ų4165.6 Ų65.634%0.33935%0.347SS..THydrogen-bonded Turntrans-67.1-35-168.700000113V64 T68 V88 L90V64-A66 PolarHBondContact O-N 2.93Å; A66-T68 VanDerWaalsContact C-N 3.35Å; A66-T68 PolarHBondContact O-N 2.63Å; A66-V88 HydrophobicContact CB-CB 4.03Å; A66-V88 HydrophobicContact CB-CG1 4.07Å; A66-V88 WeakPolarHBondContact CB-O 3.45Å; A66-V88 PolarHBondContact N-O 3.27Å; A66-L90 HydrophobicContact CB-CD1 4.21Å
67A85.6Confident83.4Confident81 Ų8161 Ų6167%0.66933%0.33SS*.THydrogen-bonded Turntrans-82.7-6-177.400000114.6H65H65-A67 PolarHBondContact O-N 3.18Å
68T83.8Confident84.1Confident90 Ų9059 Ų5955%0.55232%0.317SS*.THydrogen-bonded Turntrans-126.14.2172.859.60000113.6H65 A66 R70H65-T68 PolarHBondContact ND1-OG1 3.08Å; H65-T68 PolarHBondContact O-N 3.05Å; A66-T68 VanDerWaalsContact C-N 3.35Å; A66-T68 PolarHBondContact O-N 2.63Å; T68-R70 PolarHBondContact O-N 3.3Å
69E82Confident84.7Confident173 Ų17360 Ų6081%0.80833%0.328SS*.THydrogen-bonded Turntrans52.110.5-174.2-55.4-171159.900115.1H65H65-E69 WeakPolarHBondContact O-CA 3.47Å; H65-E69 PolarHBondContact O-N 2.96Å
70R84.6Confident85.3Confident116 Ų11660.2 Ų60.244%0.43833%0.326SS..EExtended strand (participates in β ladder)trans-88.3134.6-168-166-174.1-174.4-159.8-0.3111.6V64 H65 T68 L72 E81V64-R70 CarbonylContact C-O 3.59Å; V64-R70 WeakPolarHBondContact CA-O 3.46Å; H65-R70 PolarHBondContact N-O 3.23Å; T68-R70 PolarHBondContact O-N 3.3Å; R70-L72 PolarHBondContact O-N 3.31Å; R70-E81 IonicContact CZ-OE1 2.68Å; R70-E81 IonicContact CZ-OE2 3.59Å; R70-E81 IonicContact NE-OE2 2.68Å; R70-E81 IonicContact NH1-OE1 3.45Å; R70-E81 PolarHBondContact NH1-OE1 3.14Å; R70-E81 IonicContact NH1-OE2 2.92Å; R70-E81 PolarHBondContact NH1-OE2 2.7Å; R70-E81 IonicContact NH2-OE1 3.29Å
71I87.1Confident85.4Confident88 Ų8857.4 Ų57.445%0.45131%0.313SS..EExtended strand (participates in β ladder)trans-69.4122.4167.2-52.2178.2000108.6K62 V64K62-I71 HydrophobicContact CB-CG2 4.1Å; K62-I71 HydrophobicContact CD-CD1 3.88Å; K62-I71 HydrophobicContact CD-CG1 4.08Å; K62-I71 HydrophobicContact CD-CG2 4.15Å; V64-I71 HydrophobicContact CG2-CG1 4.15Å
72L86.4Confident85.3Confident5 Ų562.7 Ų62.73%0.02634%0.341CS..PPolyproline II helixtrans-74.8139.6177.6-59.4-177.3000110.7I36 L63 H65 R70 E81 L83 L89I36-L72 HydrophobicContact CD1-CD1 4.14Å; I36-L72 HydrophobicContact CG1-CB 4.46Å; I36-L72 HydrophobicContact CG2-CB 3.74Å; I36-L72 HydrophobicContact CG2-CD1 4.47Å; L63-L72 HydrophobicContact CB-CB 4.42Å; L63-L72 HydrophobicContact CB-CD1 4.19Å; L63-L72 PolarHBondContact O-N 2.68Å; H65-L72 HydrophobicContact CB-CD2 4.01Å; H65-L72 HydrophobicContact CB-CG 4.41Å; R70-L72 PolarHBondContact O-N 3.31Å; L72-E81 HydrophobicContact CD2-CB 3.85Å; L72-E81 HydrophobicContact CD2-CG 3.95Å; L72-L83 HydrophobicContact CD1-CD1 3.97Å; L72-L83 HydrophobicContact CD1-CD2 4.39Å; L72-L83 HydrophobicContact CD2-CD2 4.45Å; L72-L89 HydrophobicContact CD1-CD1 4.04Å; L72-L89 HydrophobicContact CD1-CD2 3.65Å
73M84.4Confident85.2Confident84 Ų8460.5 Ų60.541%0.41433%0.332SS..PPolyproline II helixtrans-90128-178.7-59.6-166.1-56.500111I36 T75 K76I36-M73 WeakPolarHBondContact CB-O 3.27Å; M73-T75 VanDerWaalsContact C-N 3.26Å; M73-T75 PolarHBondContact O-N 3.32Å; M73-K76 HydrophobicContact CE-CD 3.81Å; M73-K76 HydrophobicContact CE-CG 4.45Å; M73-K76 PolarHBondContact O-N 3.03Å
74E84.4Confident84.9Confident56 Ų5667 Ų6726%0.26236%0.361SS..THydrogen-bonded Turntrans-66-27.8-169-66.1168.5-14100113E37 K40 K76E37-E74 HydrophobicContact CB-CB 4.25Å; E37-E74 WeakPolarHBondContact CB-O 3.42Å; E37-E74 PolarHBondContact N-O 2.84Å; K40-E74 HydrophobicContact CD-CG 4.15Å; K40-E74 IonicContact NZ-OE1 2.71Å; K40-E74 PolarHBondContact NZ-OE1 2.88Å; K40-E74 IonicContact NZ-OE2 3.12Å; K40-E74 PolarHBondContact NZ-OE2 3.36Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 3.05Å
75T85.6Confident84.7Confident130 Ų13069.9 Ų69.980%0.79838%0.376SS*.THydrogen-bonded Turntrans-74.2-10.2178.849.20000115.4M73M73-T75 VanDerWaalsContact C-N 3.26Å; M73-T75 PolarHBondContact O-N 3.32Å
76K87.3Confident84.4Confident51 Ų5175.9 Ų75.922%0.22240%0.401CS..SBendtrans-98.2164.2-176.1-87.4-176.1160.1-158.20113.1T35 I36 M73 E74 D80 E81T35-K76 CarbonylContact C-O 3.57Å; T35-K76 VanDerWaalsContact CA-O 3.27Å; T35-K76 WeakPolarHBondContact CA-O 3.33Å; I36-K76 PolarHBondContact N-O 3.03Å; M73-K76 HydrophobicContact CE-CD 3.81Å; M73-K76 HydrophobicContact CE-CG 4.45Å; M73-K76 PolarHBondContact O-N 3.03Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 3.05Å; K76-D80 HydrophobicContact CB-CB 3.91Å; K76-D80 HydrophobicContact CD-CB 3.76Å; K76-D80 HydrophobicContact CG-CB 3.82Å; K76-D80 PolarHBondContact NZ-O 2.78Å; K76-E81 HydrophobicContact CB-CG 4.35Å; K76-E81 HydrophobicContact CD-CG 3.8Å; K76-E81 WeakPolarHBondContact CD-OE1 3.45Å; K76-E81 WeakPolarHBondContact CE-OE1 3.33Å; K76-E81 IonicContact NZ-OE1 2.91Å; K76-E81 PolarHBondContact NZ-OE1 2.94Å
77T88Confident84.5Confident30 Ų3075.4 Ų75.418%0.18439%0.393CS..BIsolated β-bridgetrans-80.5165.9166.459.30000112.6T34 S79 D80 E81T34-T77 CarbonylContact O-C 3.58Å; T34-T77 WeakPolarHBondContact O-CA 3.41Å; T77-S79 PolarHBondContact O-N 3.5Å; T77-S79 PolarHBondContact OG1-OG 3.13Å; T77-D80 PolarHBondContact O-N 2.98Å; T77-D80 WeakPolarHBondContact OG1-CB 3.4Å; T77-D80 VanDerWaalsContact OG1-CG 3.25Å; T77-D80 PolarHBondContact OG1-N 3.37Å; T77-E81 PolarHBondContact O-N 2.67Å
78V84.8Confident84.6Confident0 Ų074 Ų740%038%0.376CS..THydrogen-bonded Turntrans-57.8-36.3167.7167.40000111.6L14 I16 V30 T34 I36 L39 N82 L83L14-V78 HydrophobicContact CD1-CG1 3.67Å; I16-V78 HydrophobicContact CD1-CG1 4.29Å; V30-V78 HydrophobicContact CG1-CG2 3.85Å; T34-V78 WeakPolarHBondContact O-CG2 3.41Å; T34-V78 PolarHBondContact O-N 3.31Å; I36-V78 HydrophobicContact CD1-CG2 4.02Å; L39-V78 HydrophobicContact CD2-CG2 4.1Å; V78-N82 PolarHBondContact O-N 2.9Å; V78-L83 HydrophobicContact CG1-CB 4.03Å; V78-L83 HydrophobicContact CG1-CD1 4.26Å; V78-L83 HydrophobicContact CG2-CD1 4.49Å; V78-L83 PolarHBondContact O-N 3.01Å
79S83Confident84.9Confident56 Ų5669.7 Ų69.739%0.39235%0.35SS..THydrogen-bonded Turntrans-67.9-42173.3510000114E32 T77 E81 N82E32-S79 PolarHBondContact O-N 3.33Å; E32-S79 PolarHBondContact O-OG 3.42Å; T77-S79 PolarHBondContact O-N 3.5Å; T77-S79 PolarHBondContact OG1-OG 3.13Å; S79-E81 VanDerWaalsContact C-N 3.27Å; S79-E81 PolarHBondContact O-N 2.79Å; S79-N82 WeakPolarHBondContact O-CA 3.47Å; S79-N82 PolarHBondContact O-N 3.49Å
80D84.2Confident85.3Confident87 Ų8764.3 Ų64.347%0.46533%0.326SS..THydrogen-bonded Turntrans-68.1-21.5-178.2-79.8-13000114.2K76 T77K76-D80 HydrophobicContact CB-CB 3.91Å; K76-D80 HydrophobicContact CD-CB 3.76Å; K76-D80 HydrophobicContact CG-CB 3.82Å; K76-D80 PolarHBondContact NZ-O 2.78Å; T77-D80 PolarHBondContact O-N 2.98Å; T77-D80 WeakPolarHBondContact OG1-CB 3.4Å; T77-D80 VanDerWaalsContact OG1-CG 3.25Å; T77-D80 PolarHBondContact OG1-N 3.37Å
81E80Confident85.4Confident17 Ų1759 Ų598%0.07931%0.307CS..THydrogen-bonded Turntrans-9910.2170.1-75-61.4132.400113.2R70 L72 K76 T77 S79 L83R70-E81 IonicContact CZ-OE1 2.68Å; R70-E81 IonicContact CZ-OE2 3.59Å; R70-E81 IonicContact NE-OE2 2.68Å; R70-E81 IonicContact NH1-OE1 3.45Å; R70-E81 PolarHBondContact NH1-OE1 3.14Å; R70-E81 IonicContact NH1-OE2 2.92Å; R70-E81 PolarHBondContact NH1-OE2 2.7Å; R70-E81 IonicContact NH2-OE1 3.29Å; L72-E81 HydrophobicContact CD2-CB 3.85Å; L72-E81 HydrophobicContact CD2-CG 3.95Å; K76-E81 HydrophobicContact CB-CG 4.35Å; K76-E81 HydrophobicContact CD-CG 3.8Å; K76-E81 WeakPolarHBondContact CD-OE1 3.45Å; K76-E81 WeakPolarHBondContact CE-OE1 3.33Å; K76-E81 IonicContact NZ-OE1 2.91Å; K76-E81 PolarHBondContact NZ-OE1 2.94Å; T77-E81 PolarHBondContact O-N 2.67Å; S79-E81 VanDerWaalsContact C-N 3.27Å; S79-E81 PolarHBondContact O-N 2.79Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.23Å
82N81.8Confident85.3Confident127 Ų12757 Ų5768%0.67930%0.296SS*.THydrogen-bonded Turntrans60.229.6169.8-68.8-110000114.9V78 S79V78-N82 PolarHBondContact O-N 2.9Å; S79-N82 WeakPolarHBondContact O-CA 3.47Å; S79-N82 PolarHBondContact O-N 3.49Å
83L82.8Confident85.1Confident10 Ų1063 Ų635%0.05232%0.322CS..  trans-69.6144178.6-60.6176.1000111.5L14 I16 I36 H65 L72 V78 E81 L89L14-L83 WeakPolarHBondContact CD1-O 3.3Å; I16-L83 HydrophobicContact CD1-CD1 4.27Å; I36-L83 HydrophobicContact CD1-CD1 4.01Å; H65-L83 HydrophobicContact CB-CD2 4.31Å; L72-L83 HydrophobicContact CD1-CD1 3.97Å; L72-L83 HydrophobicContact CD1-CD2 4.39Å; L72-L83 HydrophobicContact CD2-CD2 4.45Å; V78-L83 HydrophobicContact CG1-CB 4.03Å; V78-L83 HydrophobicContact CG1-CD1 4.26Å; V78-L83 HydrophobicContact CG2-CD1 4.49Å; V78-L83 PolarHBondContact O-N 3.01Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.23Å; L83-L89 HydrophobicContact CD1-CD1 4.4Å; L83-L89 HydrophobicContact CD1-CD2 4.48Å; L83-L89 HydrophobicContact CD2-CD2 4.04Å
84K82.5Confident84.7Confident140 Ų14063 Ų6361%0.60932%0.32SS*.  trans-119.8169.7-175.1-60.9171.3-173.4168.20111.5K86 D87K84-K86 PolarHBondContact O-N 3.41Å; K84-D87 WeakPolarHBondContact CB-OD2 3.14Å; K84-D87 PolarHBondContact N-OD2 3.3Å; K84-D87 PolarHBondContact O-N 3.09Å
85D84.8Confident83.8Confident72 Ų7271.6 Ų71.639%0.38535%0.35SS..THydrogen-bonded Turntrans-63.2126.9172.5-171.660.6000109.8L14 K15 D87L14-D85 HydrophobicContact CD2-CB 4.27Å; K15-D85 WeakPolarHBondContact CB-OD1 3.37Å; K15-D85 PolarHBondContact N-OD1 3.29Å; D85-D87 VanDerWaalsContact C-N 3.35Å
86K83.1Confident82.5Confident139 Ų13969.3 Ų69.360%0.60434%0.337SS*.THydrogen-bonded Turntrans7114.4-176.5-52.5159.2-168.5161.50116.4K15 K84K15-K86 VanDerWaalsContact O-CA 3.3Å; K15-K86 WeakPolarHBondContact O-CA 3.42Å; K15-K86 PolarHBondContact O-N 3.45Å; K84-K86 PolarHBondContact O-N 3.41Å
87D88.6Confident80.9Confident31 Ų3171.7 Ų71.717%0.16636%0.358CS..  trans-62.9151.3166.1-79.6-10.1000111H17 H65 K84 D85H17-D87 PolarHBondContact N-O 3.22Å; H65-D87 IonicContact NE2-OD1 3.54Å; H65-D87 IonicContact NE2-OD2 2.77Å; K84-D87 WeakPolarHBondContact CB-OD2 3.14Å; K84-D87 PolarHBondContact N-OD2 3.3Å; K84-D87 PolarHBondContact O-N 3.09Å; D85-D87 VanDerWaalsContact C-N 3.35Å
88V88.1Confident79.3Confident51 Ų5175.9 Ų75.931%0.30939%0.385SS..EExtended strand (participates in β ladder)trans-109.1126.6-174.1-179.40000110.6H17 H65 A66H17-V88 HydrophobicContact CB-CB 4.49Å; H17-V88 HydrophobicContact CB-CG2 4.01Å; H17-V88 CarbonylContact O-C 3.59Å; H17-V88 WeakPolarHBondContact O-CA 3.23Å; H65-V88 PolarHBondContact CD2-O 3.02Å; A66-V88 HydrophobicContact CB-CB 4.03Å; A66-V88 HydrophobicContact CB-CG1 4.07Å; A66-V88 WeakPolarHBondContact CB-O 3.45Å; A66-V88 PolarHBondContact N-O 3.27Å
89L90.6Very high78.2Confident0 Ų081 Ų810%042%0.419CS..EExtended strand (participates in β ladder)trans-112.2131.5176.3-59.3-171.8000111.6I16 H17 I18 C19 L39 L63 V64 H65 L72 L83I16-L89 HydrophobicContact CG2-CB 4.49Å; I16-L89 HydrophobicContact CG2-CD1 3.69Å; I16-L89 HydrophobicContact CG2-CG 3.63Å; H17-L89 PolarHBondContact O-N 3.06Å; I18-L89 CarbonylContact C-O 3.56Å; I18-L89 WeakPolarHBondContact CA-O 3.37Å; C19-L89 PolarHBondContact N-O 3.25Å; L39-L89 HydrophobicContact CD2-CD1 3.81Å; L63-L89 HydrophobicContact CD1-CD1 4.27Å; L63-L89 HydrophobicContact CD2-CB 4.42Å; V64-L89 CarbonylContact O-C 3.52Å; V64-L89 WeakPolarHBondContact O-CA 3.33Å; H65-L89 HydrophobicContact CB-CD2 3.9Å; L72-L89 HydrophobicContact CD1-CD1 4.04Å; L72-L89 HydrophobicContact CD1-CD2 3.65Å; L83-L89 HydrophobicContact CD1-CD1 4.4Å; L83-L89 HydrophobicContact CD1-CD2 4.48Å; L83-L89 HydrophobicContact CD2-CD2 4.04Å
90L88.4Confident76.8Confident61 Ų6183.7 Ų83.732%0.31944%0.435SS..EExtended strand (participates in β ladder)trans-95.4116.6174-70.9161.7000110.2C19 L63 V64 A66 I92C19-L90 HydrophobicContact CB-CD2 3.95Å; C19-L90 WeakPolarHBondContact O-CA 3.33Å; L63-L90 WeakPolarHBondContact CA-O 3.48Å; V64-L90 HydrophobicContact CB-CB 4.34Å; V64-L90 PolarHBondContact N-O 2.81Å; V64-L90 PolarHBondContact O-N 2.89Å; A66-L90 HydrophobicContact CB-CD1 4.21Å; L90-I92 HydrophobicContact CB-CD1 4.16Å; L90-I92 HydrophobicContact CB-CG1 4.14Å; L90-I92 PolarHBondContact O-N 3.23Å
91L87.6Confident75.4Confident4 Ų484.6 Ų84.62%0.02145%0.446CS..EExtended strand (participates in β ladder)trans-84.5108.7171.6-17963.4000109.6I18 C19 T20 C43 L44 Y47 H61 L63I18-L91 HydrophobicContact CG2-CB 4.35Å; C19-L91 PolarHBondContact O-N 3.02Å; T20-L91 HydrophobicContact CG2-CD2 4.5Å; C43-L91 HydrophobicContact CB-CD2 4.19Å; L44-L91 HydrophobicContact CD2-CD1 4.43Å; L44-L91 HydrophobicContact CD2-CD2 4.19Å; Y47-L91 HydrophobicContact CD1-CD2 4.02Å; Y47-L91 HydrophobicContact CG-CD2 4.32Å; H61-L91 HydrophobicContact CB-CD1 4.07Å; L63-L91 HydrophobicContact CD2-CB 4.22Å; L63-L91 HydrophobicContact CD2-CD1 3.94Å
92I85.1Confident74.3Confident45 Ų4591.2 Ų91.223%0.23147%0.474CS..EExtended strand (participates in β ladder)trans-118.8124.2-172.7-59.3178.9000110.3M21 H61 K62 V64 L90 K94M21-I92 HydrophobicContact CE-CB 4.49Å; M21-I92 HydrophobicContact CE-CG2 3.81Å; H61-I92 CarbonylContact C-O 3.59Å; H61-I92 WeakPolarHBondContact CA-O 3.17Å; K62-I92 HydrophobicContact CG-CB 3.99Å; K62-I92 HydrophobicContact CG-CG2 4.45Å; K62-I92 PolarHBondContact N-O 3.42Å; K62-I92 PolarHBondContact O-N 3.05Å; V64-I92 HydrophobicContact CB-CD1 4.38Å; V64-I92 HydrophobicContact CG2-CD1 3.9Å; L90-I92 HydrophobicContact CB-CD1 4.16Å; L90-I92 HydrophobicContact CB-CG1 4.14Å; L90-I92 PolarHBondContact O-N 3.23Å; I92-K94 PolarHBondContact O-N 3.46Å
93K81.7Confident73Confident133 Ų13392.9 Ų92.958%0.57848%0.48SS*.EExtended strand (participates in β ladder)trans-70.1123170.1-167.6168.6-1771730110.3M21 H61M21-K93 HydrophobicContact CE-CB 4.27Å; M21-K93 HydrophobicContact SD-CB 4.42Å; H61-K93 VanDerWaalsContact CD2-CA 3.48Å; H61-K93 WeakPolarHBondContact CD2-CA 3.42Å
94K76.3Confident71.7Confident82 Ų8296.2 Ų96.236%0.35751%0.509SS..PPolyproline II helixtrans-70.2145.4172.3-60179.4-167.9152.70108.7T59 H60 H61 K62 I92T59-K94 WeakPolarHBondContact O-CD 3.46Å; T59-K94 WeakPolarHBondContact O-CE 3.24Å; T59-K94 PolarHBondContact O-NZ 2.92Å; H60-K94 WeakPolarHBondContact O-CB 3.26Å; H60-K94 PolarHBondContact O-N 2.89Å; H61-K94 WeakPolarHBondContact O-CE 3.38Å; H61-K94 PolarHBondContact O-NZ 3.4Å; K62-K94 HydrophobicContact CG-CG 4.44Å; I92-K94 PolarHBondContact O-N 3.46Å
95R66.1Low70.1Confident238 Ų23894 Ų9490%0.89850%0.503SS*.PPolyproline II helixtrans-64.1127165.5-178179.6-71.9179.8-2.3107.5
96P57.9Low68.4Low81 Ų8194.7 Ų94.753%0.52651%0.506SS..PPolyproline II helixtrans-62.9148.8174.727.4-34.3000109.9
97P54.6Low67Low101 Ų10192 Ų9266%0.65651%0.505SS*.PPolyproline II helixtrans-59148.9169.827.8-34.3000109.6
98P53.8Low65.2Low118 Ų11893.8 Ų93.877%0.76652%0.524SS*.PPolyproline II helixtrans-58.2135.4173.526.3-33.6000109.1
99P60.4Low63.3Low108 Ų10895.8 Ų95.870%0.70153%0.53SS*.PPolyproline II helixtrans-62.614517627.6-34.2000109.5
100P53.8Low61.4Low113 Ų113101.4 Ų101.473%0.73456%0.556SS**PPolyproline II helixtrans-58.5140.717226-33.8000109.6K102P100-K102 PolarHBondContact O-N 2.74Å
101P55.9Low59.5Low106 Ų106107.7 Ų107.769%0.68858%0.581SS**PPolyproline II helixtrans-60135.4-177.725.2-34.1000110.2
102K57.1Low57.6Low155 Ų155113.7 Ų113.767%0.67461%0.607SS**PPolyproline II helixtrans-81.2148.8178.6-64.6176.3-179.8175.50108.7P100 A104 D105P100-K102 PolarHBondContact O-N 2.74Å; K102-A104 PolarHBondContact O-N 2.96Å; K102-D105 WeakPolarHBondContact CB-OD2 3.04Å; K102-D105 PolarHBondContact N-OD2 2.66Å; K102-D105 WeakPolarHBondContact O-CB 3.38Å; K102-D105 PolarHBondContact O-N 3.48Å
103M54.3Low55.9Low162 Ų162118 Ų11880%0.79862%0.624SS**Hα-helixtrans-56-26.9-176.5-66.7175.569.200113.8I106M103-I106 PolarHBondContact O-N 2.93Å
104A55.1Low54.4Low81 Ų81119.9 Ų119.967%0.66964%0.635SS**Hα-helixtrans-67.7-30175.700000114.1K102 I106K102-A104 PolarHBondContact O-N 2.96Å; A104-I106 VanDerWaalsContact C-N 3.32Å
105D48.1Very low53Low92 Ų92123.1 Ų123.149%0.49266%0.656SS.*Hα-helixtrans-74.6-26.5-179-55-50.1000111.3K102 A108 E109K102-D105 WeakPolarHBondContact CB-OD2 3.04Å; K102-D105 PolarHBondContact N-OD2 2.66Å; K102-D105 WeakPolarHBondContact O-CB 3.38Å; K102-D105 PolarHBondContact O-N 3.48Å; D105-A108 PolarHBondContact O-N 3Å; D105-E109 PolarHBondContact O-N 3.12Å
106I50.2Low52.5Low87 Ų87117.5 Ų117.545%0.44664%0.644SS.*Hα-helixtrans-61.7-51.2-178.5-51.8179.2000110.6M103 A104 A108 E109 E110M103-I106 PolarHBondContact O-N 2.93Å; A104-I106 VanDerWaalsContact C-N 3.32Å; I106-A108 VanDerWaalsContact C-N 3.26Å; I106-A108 PolarHBondContact O-N 3.03Å; I106-E109 PolarHBondContact O-N 3.33Å; I106-E109 VanDerWaalsContact O-N 3.14Å; I106-E110 WeakPolarHBondContact O-CG 3.32Å; I106-E110 PolarHBondContact O-N 2.97Å
107S53.5Low52.5Low82 Ų82121.5 Ų121.557%0.57365%0.653SS**Hα-helixtrans-71.7-16.8-177.2-53.90000114.1
108A49.8Very low52.6Low69 Ų69120.4 Ų120.457%0.5765%0.652SS**Hα-helixtrans-76.5-40.3169.800000111.3D105 I106D105-A108 PolarHBondContact O-N 3Å; I106-A108 VanDerWaalsContact C-N 3.26Å; I106-A108 PolarHBondContact O-N 3.03Å
109E49.6Very low53.2Low94 Ų94119 Ų11944%0.43964%0.644SS.*Hα-helixtrans-75.7-34.1-179.3-159.760.5-147.700112.4D105 I106 K111 K112 K113D105-E109 PolarHBondContact O-N 3.12Å; I106-E109 PolarHBondContact O-N 3.33Å; I106-E109 VanDerWaalsContact O-N 3.14Å; E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.4Å; E109-K112 CarbonylContact O-C 3.57Å; E109-K112 WeakPolarHBondContact O-CA 3.38Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.05Å; E109-K113 PolarHBondContact O-N 2.85Å
110E50Low53.7Low117 Ų117118.9 Ų118.955%0.54764%0.637SS.*Hα-helixtrans-55.3-41.8174.3-76.6-176.5126.100112.6I106 K112 K113I106-E110 WeakPolarHBondContact O-CG 3.32Å; I106-E110 PolarHBondContact O-N 2.97Å; E110-K112 PolarHBondContact O-N 3.35Å; E110-K112 VanDerWaalsContact O-N 3.08Å; E110-K113 PolarHBondContact O-N 3.39Å
111K47.8Very low54.4Low193 Ų193121.9 Ų121.984%0.83964%0.639SS**Hα-helixtrans-69.7-6.1178.7-143.5173.5-170.7175.50113.9E109E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.4Å
112K48.2Very low55.2Low131 Ų131124.7 Ų124.757%0.5764%0.642SS**Hα-helixtrans-111.1-14178.5-151.4-180-177.1-173.30112.9E109 E110 Q114E109-K112 CarbonylContact O-C 3.57Å; E109-K112 WeakPolarHBondContact O-CA 3.38Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.05Å; E110-K112 PolarHBondContact O-N 3.35Å; E110-K112 VanDerWaalsContact O-N 3.08Å; K112-Q114 VanDerWaalsContact C-N 3.3Å; K112-Q114 PolarHBondContact O-N 3.03Å
113K49.8Very low56.2Low135 Ų135119.8 Ų119.859%0.58763%0.631SS**Hα-helixtrans-71.4-19.3177.4-81.6-179.8175.7177.30114.2E109 E110 D115 N116E109-K113 PolarHBondContact O-N 2.85Å; E110-K113 PolarHBondContact O-N 3.39Å; K113-D115 PolarHBondContact O-N 3.29Å; K113-N116 PolarHBondContact O-N 3.3Å
114Q49.8Very low57.3Low173 Ų173115.9 Ų115.981%0.80861%0.612SS**THydrogen-bonded Turntrans-61.2-31.7-177.9-162.8676000113.2K112K112-Q114 VanDerWaalsContact C-N 3.3Å; K112-Q114 PolarHBondContact O-N 3.03Å
115D47.4Very low58.3Low149 Ų149117.1 Ų117.180%0.79761%0.607SS**SBendtrans-90.9-17.7179-66.8-41.6000113.6K113 K117K113-D115 PolarHBondContact O-N 3.29Å; D115-K117 PolarHBondContact O-N 3.43Å
116N54.5Low59.9Low121 Ų121121.4 Ų121.465%0.64762%0.621SS**  trans-98.662.4-177.7-81.4-38.5000111.6K113 A118K113-N116 PolarHBondContact O-N 3.3Å; N116-A118 PolarHBondContact O-N 3Å
117K58Low61.2Low165 Ų165120.9 Ų120.972%0.71763%0.63SS**PPolyproline II helixtrans-63.1131166-171.5-177.7175.5-161.20108.9D115 D120D115-K117 PolarHBondContact O-N 3.43Å; K117-D120 IonicContact NZ-OD2 2.67Å
118A58.3Low62.2Low77 Ų77120 Ų12064%0.63662%0.622SS**PPolyproline II helixtrans-57.8142.2176.700000111.1N116 D120N116-A118 PolarHBondContact O-N 3Å; A118-D120 PolarHBondContact O-N 3.2Å
119P65.4Low63.6Low90 Ų90121 Ų12158%0.58463%0.629SS**PPolyproline II helixtrans-64.6133.3179.826.2-33.6000110.8I124P119-I124 HydrophobicContact CB-CG1 4.16Å; P119-I124 HydrophobicContact CG-CD1 4.25Å; P119-I124 HydrophobicContact CG-CG1 3.95Å; P119-I124 WeakPolarHBondContact O-CD1 3.09Å
120D70.4Confident64.9Low105 Ų105120 Ų12056%0.56165%0.645SS**PPolyproline II helixtrans-61.2152.7-179.8-85.6-59.9000112.4K117 A118 E122 A123 I124K117-D120 IonicContact NZ-OD2 2.67Å; A118-D120 PolarHBondContact O-N 3.2Å; D120-E122 PolarHBondContact O-N 2.8Å; D120-E122 VanDerWaalsContact O-N 3.11Å; D120-A123 WeakPolarHBondContact O-CA 3.4Å; D120-A123 WeakPolarHBondContact O-CB 3.38Å; D120-A123 PolarHBondContact O-N 2.55Å; D120-I124 PolarHBondContact O-N 2.94Å
121K70.1Confident66.4Low176 Ų176120.4 Ų120.477%0.76565%0.65SS**Hα-helixtrans-52.6-38-173.5-168.7174.1-177.9176.70113L125K121-L125 HydrophobicContact CG-CD1 4.46Å; K121-L125 WeakPolarHBondContact O-CG 3.22Å; K121-L125 PolarHBondContact O-N 2.99Å
122E72.8Confident67.3Low164 Ų164116.4 Ų116.477%0.76665%0.646SS**Hα-helixtrans-68.7-37.7174.7-62.2-167.6142.400113.4D120 I124 L125 K126D120-E122 PolarHBondContact O-N 2.8Å; D120-E122 VanDerWaalsContact O-N 3.11Å; E122-I124 VanDerWaalsContact C-N 3.35Å; E122-L125 PolarHBondContact O-N 3Å; E122-K126 VanDerWaalsContact O-CB 3.22Å; E122-K126 WeakPolarHBondContact O-CB 3.49Å; E122-K126 PolarHBondContact O-N 2.76Å
123A77.5Confident68Low52 Ų52116 Ų11643%0.4366%0.655SS.*Hα-helixtrans-68.1-37.4177.100000111.2D120 A127D120-A123 WeakPolarHBondContact O-CA 3.4Å; D120-A123 WeakPolarHBondContact O-CB 3.38Å; D120-A123 PolarHBondContact O-N 2.55Å; A123-A127 WeakPolarHBondContact O-CB 3.4Å; A123-A127 PolarHBondContact O-N 3.31Å
124I76.9Confident68.4Low81 Ų81120.1 Ų120.142%0.41567%0.667SS.*Hα-helixtrans-61-55.4171.3-62172.9000109.9P119 D120 E122 K126 A127 T128P119-I124 HydrophobicContact CB-CG1 4.16Å; P119-I124 HydrophobicContact CG-CD1 4.25Å; P119-I124 HydrophobicContact CG-CG1 3.95Å; P119-I124 WeakPolarHBondContact O-CD1 3.09Å; D120-I124 PolarHBondContact O-N 2.94Å; E122-I124 VanDerWaalsContact C-N 3.35Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.38Å; I124-A127 PolarHBondContact O-N 2.94Å; I124-T128 HydrophobicContact CG2-CG2 4.27Å; I124-T128 WeakPolarHBondContact O-CG2 3.35Å; I124-T128 PolarHBondContact O-N 3.38Å; I124-T128 PolarHBondContact O-OG1 3.14Å; I124-T128 VanDerWaalsContact O-OG1 3.1Å
125L75.7Confident68.4Low107 Ų107120 Ų12056%0.5667%0.666SS**Hα-helixtrans-55.8-42179.4-74.5165.4000112.4K121 E122 A127 T128 A129K121-L125 HydrophobicContact CG-CD1 4.46Å; K121-L125 WeakPolarHBondContact O-CG 3.22Å; K121-L125 PolarHBondContact O-N 2.99Å; E122-L125 PolarHBondContact O-N 3Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-A127 PolarHBondContact O-N 3.37Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 3.49Å; L125-A129 WeakPolarHBondContact O-CB 3.19Å; L125-A129 PolarHBondContact O-N 2.9Å
126K82.4Confident68.5Low181 Ų181117.4 Ų117.479%0.78766%0.656SS**Hα-helixtrans-68-30.9177.9-170.3173.5-176.1175.60113.1E122 I124E122-K126 VanDerWaalsContact O-CB 3.22Å; E122-K126 WeakPolarHBondContact O-CB 3.49Å; E122-K126 PolarHBondContact O-N 2.76Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.38Å
127A77.5Confident67.9Low76 Ų76118.4 Ų118.463%0.62866%0.661SS**Hα-helixtrans-80.6-32.8175.700000112.9A123 I124 L125A123-A127 WeakPolarHBondContact O-CB 3.4Å; A123-A127 PolarHBondContact O-N 3.31Å; I124-A127 PolarHBondContact O-N 2.94Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-A127 PolarHBondContact O-N 3.37Å
128T75.1Confident67.4Low65 Ų65120 Ų12040%0.39966%0.663SS.*Hα-helixtrans-87.5-18-178.657.70000114.2I124 L125 G130 L131I124-T128 HydrophobicContact CG2-CG2 4.27Å; I124-T128 WeakPolarHBondContact O-CG2 3.35Å; I124-T128 PolarHBondContact O-N 3.38Å; I124-T128 PolarHBondContact O-OG1 3.14Å; I124-T128 VanDerWaalsContact O-OG1 3.1Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 3.49Å; T128-G130 PolarHBondContact O-N 3.43Å; T128-L131 HydrophobicContact CG2-CD1 4.25Å; T128-L131 WeakPolarHBondContact O-CB 3.22Å; T128-L131 PolarHBondContact O-N 3.22Å
129A78.1Confident66.8Low88 Ų88121.3 Ų121.373%0.72766%0.662SS**THydrogen-bonded Turntrans-55.2-22-178.700000115.6L125L125-A129 WeakPolarHBondContact O-CB 3.19Å; L125-A129 PolarHBondContact O-N 2.9Å
130G78.3Confident65.8Low74 Ų74120.7 Ų120.776%0.76366%0.657SS**THydrogen-bonded Turntrans-91-1.3175.700000115.3T128T128-G130 PolarHBondContact O-N 3.43Å
131L79.5Confident64.4Low126 Ų126121.4 Ų121.466%0.6667%0.665SS**  trans-94.3119.8-174.1-58.9178.4000111.3T128 T133T128-L131 HydrophobicContact CG2-CD1 4.25Å; T128-L131 WeakPolarHBondContact O-CB 3.22Å; T128-L131 PolarHBondContact O-N 3.22Å; L131-T133 PolarHBondContact O-N 2.89Å
132S67.2Low63Low109 Ų109116.9 Ų116.976%0.76265%0.647SS**  trans-65125.4169.7-49.20000110.4R134S132-R134 PolarHBondContact O-N 3.05Å
133T62.9Low61.7Low123 Ų123116.5 Ų116.576%0.75565%0.645SS**  trans-58.6110.1176.648.70000111L131L131-T133 PolarHBondContact O-N 2.89Å
134R59.3Low60.3Low221 Ų221119.6 Ų119.683%0.83465%0.654SS**  trans-101.8142.5169.2-75.1-176.2164.5-168.5-5.2109.4S132S132-R134 PolarHBondContact O-N 3.05Å
135H48.1Very low58.8Low169 Ų169122.4 Ų122.478%0.78267%0.668SS**  trans7045-175-48.8-79000115.5R138H135-R138 PolarHBondContact O-N 2.89Å
136T50.8Low57.6Low96 Ų96121.2 Ų121.259%0.58966%0.657SS**THydrogen-bonded Turntrans-59.3-36.6156.246.60000111.2R138T136-R138 PolarHBondContact O-N 3.31Å
137D42.1Very low56.4Low141 Ų141115.6 Ų115.675%0.75464%0.635SS**THydrogen-bonded Turntrans-79.233.9177.2-54.7-47.5000113.5
138R46.1Very low55.8Low200 Ų200113.8 Ų113.876%0.75561%0.613SS**  trans-92.551.6144.7-160.8-168.7162.8-171.5-9.1109.2H135 T136 V140H135-R138 PolarHBondContact O-N 2.89Å; T136-R138 PolarHBondContact O-N 3.31Å; R138-V140 HydrophobicContact CG-CG2 3.98Å; R138-V140 PolarHBondContact O-N 2.96Å
139T46.3Very low55.5Low103 Ų103114.2 Ų114.263%0.63261%0.611SS**  trans-56.691.714539.40000107T141T139-T141 VanDerWaalsContact C-N 3.29Å; T139-T141 PolarHBondContact O-N 3.48Å
140V44.5Very low55Low78 Ų78111.3 Ų111.347%0.47358%0.584SS.*  trans-62104.6161.2-178.30000104.5R138 Q142R138-V140 HydrophobicContact CG-CG2 3.98Å; R138-V140 PolarHBondContact O-N 2.96Å; V140-Q142 HydrophobicContact CB-CG 4.22Å; V140-Q142 HydrophobicContact CG1-CG 3.69Å; V140-Q142 PolarHBondContact O-N 2.67Å
141T40.5Very low54.9Low120 Ų120110.4 Ų110.474%0.73656%0.56SS**  trans-66.482.5170.649.50000107.3T139 H143T139-T141 VanDerWaalsContact C-N 3.29Å; T139-T141 PolarHBondContact O-N 3.48Å; T141-H143 PolarHBondContact O-N 3.45Å
142Q41.4Very low55Low80 Ų80104.6 Ų104.637%0.37453%0.529SS..  trans-72.651174.6-66.1-165.73.200110.3V140 N144V140-Q142 HydrophobicContact CB-CG 4.22Å; V140-Q142 HydrophobicContact CG1-CG 3.69Å; V140-Q142 PolarHBondContact O-N 2.67Å; Q142-N144 PolarHBondContact O-N 2.99Å
143H46Very low55.6Low157 Ų157100.3 Ų100.373%0.72750%0.496SS*.  trans-77.162-179.8-164.165.9000109.2T141 D147T141-H143 PolarHBondContact O-N 3.45Å; H143-D147 IonicContact ND1-OD2 2.67Å
144N46.8Very low56.6Low117 Ų11796.6 Ų96.663%0.62647%0.47SS*.SBendtrans-154.670.6-154.5-172.624.1000110.7Q142 R146Q142-N144 PolarHBondContact O-N 2.99Å; N144-R146 PolarHBondContact O-N 2.9Å
145I46.1Very low57.9Low139 Ų13986.2 Ų86.271%0.71343%0.431SS*.SBendtrans69.6-33.3166.7-59166.7000115.3D147 F148I145-D147 PolarHBondContact O-N 3.29Å; I145-D147 VanDerWaalsContact O-N 3.17Å; I145-F148 PolarHBondContact O-N 3.41Å; I145-F148 VanDerWaalsContact O-N 3.15Å
146R50.3Low59.8Low83 Ų8378.2 Ų78.231%0.31339%0.394SS..Hα-helixtrans-50.1-39.2174.4-145.8172.5-175.21632.5111.1N144 F148 Q149 T150 N331 E340N144-R146 PolarHBondContact O-N 2.9Å; R146-F148 PolarHBondContact O-N 3.32Å; R146-Q149 PolarHBondContact O-N 2.84Å; R146-Q149 VanDerWaalsContact O-N 3.17Å; R146-T150 PolarHBondContact O-N 3.32Å; R146-T150 PolarHBondContact O-OG1 2.98Å; R146-N331 PolarHBondContact NH2-OD1 3.49Å; R146-E340 IonicContact NH1-OE2 3.97Å
147D57.5Low61.5Low62 Ų6273.8 Ų73.833%0.33237%0.367SS..Hα-helixtrans-53-44.3178.6-55.4-52.5000113.6H143 I145 T150 E151H143-D147 IonicContact ND1-OD2 2.67Å; I145-D147 PolarHBondContact O-N 3.29Å; I145-D147 VanDerWaalsContact O-N 3.17Å; D147-T150 PolarHBondContact O-OG1 3.41Å; D147-E151 VanDerWaalsContact O-CB 3.26Å; D147-E151 WeakPolarHBondContact O-CB 3.41Å; D147-E151 VanDerWaalsContact O-CG 3.26Å; D147-E151 WeakPolarHBondContact O-CG 3.47Å; D147-E151 PolarHBondContact O-N 3.46Å
148F65.6Low63.7Low38 Ų3867.5 Ų67.517%0.16733%0.333CS..Hα-helixtrans-69.4-39.2-179.7-179.7-120.4000111.6I145 R146 L152 I155 S413 F416I145-F148 PolarHBondContact O-N 3.41Å; I145-F148 VanDerWaalsContact O-N 3.15Å; R146-F148 PolarHBondContact O-N 3.32Å; F148-L152 HydrophobicContact CE1-CD2 4.15Å; F148-L152 HydrophobicContact CE2-CB 4.29Å; F148-L152 HydrophobicContact CE2-CD1 4.43Å; F148-L152 HydrophobicContact CZ-CB 4.34Å; F148-L152 HydrophobicContact CZ-CD1 4.12Å; F148-L152 HydrophobicContact CZ-CD2 4.2Å; F148-L152 HydrophobicContact CZ-CG 4.46Å; F148-L152 WeakPolarHBondContact O-CA 3.45Å; F148-L152 WeakPolarHBondContact O-CB 3.43Å; F148-L152 PolarHBondContact O-N 3.3Å; F148-I155 HydrophobicContact CE2-CD1 4.44Å; F148-S413 WeakPolarHBondContact CE1-OG 3.5Å; F148-S413 WeakPolarHBondContact CZ-OG 3.35Å; F148-F416 HydrophobicContact CB-CD1 4.19Å; F148-F416 HydrophobicContact CB-CE1 3.68Å; F148-F416 HydrophobicContact CB-CZ 4.25Å; F148-F416 HydrophobicContact CD2-CB 4.19Å; F148-F416 AromaticContact CD2-CD1 3.38Å; F148-F416 HydrophobicContact CD2-CD1 3.38Å; F148-F416 HydrophobicContact CD2-CD2 4.13Å; F148-F416 AromaticContact CD2-CE1 3.63Å; F148-F416 HydrophobicContact CD2-CE1 3.63Å; F148-F416 HydrophobicContact CD2-CE2 4.33Å; F148-F416 AromaticContact CD2-CG 3.64Å; F148-F416 HydrophobicContact CD2-CG 3.64Å; F148-F416 HydrophobicContact CD2-CZ 4.08Å; F148-F416 HydrophobicContact CE2-CB 4.11Å; F148-F416 HydrophobicContact CE2-CD1 4.16Å; F148-F416 HydrophobicContact CE2-CG 4.04Å; F148-F416 HydrophobicContact CG-CD1 4.12Å; F148-F416 HydrophobicContact CG-CE1 4.1Å
149Q67.3Low65.7Low75 Ų7558 Ų5835%0.3530%0.297SS..Hα-helixtrans-71.6-37-178.5-71.4-68-0.300112.4R146 R153R146-Q149 PolarHBondContact O-N 2.84Å; R146-Q149 VanDerWaalsContact O-N 3.17Å; Q149-R153 PolarHBondContact O-N 2.9Å
150T68.5Low67.7Low27 Ų2753.1 Ų53.117%0.16627%0.268CS..Hα-helixtrans-73.6-39.417653.20000112.6R146 D147R146-T150 PolarHBondContact O-N 3.32Å; R146-T150 PolarHBondContact O-OG1 2.98Å; D147-T150 PolarHBondContact O-OG1 3.41Å
151E76.8Confident69.6Low54 Ų5453.6 Ų53.625%0.25227%0.265SS..Hα-helixtrans-74.1-30.9174.9-65.6-56.1116.500112.2D147 R153 K154 I155 F416D147-E151 VanDerWaalsContact O-CB 3.26Å; D147-E151 WeakPolarHBondContact O-CB 3.41Å; D147-E151 VanDerWaalsContact O-CG 3.26Å; D147-E151 WeakPolarHBondContact O-CG 3.47Å; D147-E151 PolarHBondContact O-N 3.46Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 2.9Å; E151-K154 CarbonylContact O-C 3.47Å; E151-K154 WeakPolarHBondContact O-CA 3.49Å; E151-K154 WeakPolarHBondContact O-CB 3.46Å; E151-K154 PolarHBondContact O-N 3.47Å; E151-K154 WeakPolarHBondContact OE1-CE 3.33Å; E151-K154 IonicContact OE1-NZ 2.63Å; E151-K154 PolarHBondContact OE1-NZ 2.96Å; E151-K154 IonicContact OE2-NZ 3.84Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.44Å; E151-F416 HydrophobicContact CB-CE2 3.58Å; E151-F416 HydrophobicContact CB-CZ 3.97Å; E151-F416 HydrophobicContact CG-CE2 4.03Å; E151-F416 HydrophobicContact CG-CZ 4.2Å
152L80.7Confident71.9Confident4 Ų449.3 Ų49.32%0.02124%0.239CC..Hα-helixtrans-57.5-39.5174.6175.262.6000111.1F148 K154 I155 L156 M389 M409F148-L152 HydrophobicContact CE1-CD2 4.15Å; F148-L152 HydrophobicContact CE2-CB 4.29Å; F148-L152 HydrophobicContact CE2-CD1 4.43Å; F148-L152 HydrophobicContact CZ-CB 4.34Å; F148-L152 HydrophobicContact CZ-CD1 4.12Å; F148-L152 HydrophobicContact CZ-CD2 4.2Å; F148-L152 HydrophobicContact CZ-CG 4.46Å; F148-L152 WeakPolarHBondContact O-CA 3.45Å; F148-L152 WeakPolarHBondContact O-CB 3.43Å; F148-L152 PolarHBondContact O-N 3.3Å; L152-K154 VanDerWaalsContact C-N 3.27Å; L152-K154 PolarHBondContact O-N 3.06Å; L152-I155 PolarHBondContact O-N 2.93Å; L152-L156 HydrophobicContact CD1-CD1 4.07Å; L152-L156 HydrophobicContact CD1-CD2 4.23Å; L152-L156 HydrophobicContact CD1-CG 3.81Å; L152-L156 HydrophobicContact CG-CD1 3.9Å; L152-L156 HydrophobicContact CG-CG 4.13Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.34Å; L152-L156 PolarHBondContact O-N 3.33Å; L152-M389 HydrophobicContact CD2-CE 4.19Å; L152-M409 HydrophobicContact CD1-CE 3.84Å; L152-M409 HydrophobicContact CD2-CE 4.01Å
153R80.8Confident74.1Confident20 Ų2045.6 Ų45.68%0.07522%0.221CC..Hα-helixtrans-56.2-43.7174-158178.9178.8-91.15.9111.3Q149 E151 V157 L353 D354 L390Q149-R153 PolarHBondContact O-N 2.9Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 2.9Å; R153-V157 WeakPolarHBondContact O-CB 3.41Å; R153-V157 VanDerWaalsContact O-CG2 3.22Å; R153-V157 WeakPolarHBondContact O-CG2 3.29Å; R153-V157 PolarHBondContact O-N 2.87Å; R153-L353 PolarHBondContact NH1-O 2.81Å; R153-D354 IonicContact CZ-OD1 3.24Å; R153-D354 VanDerWaalsContact CZ-OD1 3.29Å; R153-D354 IonicContact NH1-OD1 2.63Å; R153-D354 PolarHBondContact NH1-OD1 3.03Å; R153-D354 IonicContact NH2-OD1 3.35Å; R153-D354 PolarHBondContact NH2-OD1 3.27Å; R153-L390 HydrophobicContact CB-CD2 4.29Å; R153-L390 HydrophobicContact CG-CD2 3.37Å
154K82.4Confident76Confident45 Ų4539.9 Ų39.920%0.19620%0.195CC..Hα-helixtrans-70.6-37.8177-52.1178.6-173.3164.30112.7E151 L152 S158 D352 I357E151-K154 CarbonylContact O-C 3.47Å; E151-K154 WeakPolarHBondContact O-CA 3.49Å; E151-K154 WeakPolarHBondContact O-CB 3.46Å; E151-K154 PolarHBondContact O-N 3.47Å; E151-K154 WeakPolarHBondContact OE1-CE 3.33Å; E151-K154 IonicContact OE1-NZ 2.63Å; E151-K154 PolarHBondContact OE1-NZ 2.96Å; E151-K154 IonicContact OE2-NZ 3.84Å; L152-K154 VanDerWaalsContact C-N 3.27Å; L152-K154 PolarHBondContact O-N 3.06Å; K154-S158 PolarHBondContact O-N 2.7Å; K154-S158 VanDerWaalsContact O-N 3.17Å; K154-S158 PolarHBondContact O-OG 2.97Å; K154-D352 VanDerWaalsContact CE-O 3.3Å; K154-D352 WeakPolarHBondContact CE-O 3.36Å; K154-I357 HydrophobicContact CB-CD1 4.33Å; K154-I357 HydrophobicContact CB-CG1 3.68Å
155I87.3Confident77.8Confident2 Ų240.2 Ų40.21%0.0119%0.191CC..Hα-helixtrans-58-56.2172.1-64.3169.4000109.3F148 E151 L152 V157 S158 L159 I357 I367 I412 F416F148-I155 HydrophobicContact CE2-CD1 4.44Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.44Å; L152-I155 PolarHBondContact O-N 2.93Å; I155-V157 PolarHBondContact O-N 2.91Å; I155-S158 WeakPolarHBondContact O-CB 3.45Å; I155-S158 PolarHBondContact O-N 2.79Å; I155-L159 HydrophobicContact CG2-CD1 3.61Å; I155-L159 HydrophobicContact CG2-CG 3.96Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.13Å; I155-I357 HydrophobicContact CB-CD1 4.42Å; I155-I357 HydrophobicContact CG1-CD1 3.45Å; I155-I357 VanDerWaalsContact CG1-CD1 3.45Å; I155-I367 HydrophobicContact CD1-CD1 4.3Å; I155-I367 HydrophobicContact CG1-CD1 4.45Å; I155-I367 HydrophobicContact CG2-CD1 4.07Å; I155-I412 HydrophobicContact CD1-CG2 4.12Å; I155-I412 HydrophobicContact CG2-CG2 3.86Å; I155-F416 HydrophobicContact CD1-CD2 4.01Å
156L87.4Confident79.6Confident2 Ų236.6 Ų36.61%0.0117%0.172CC..Hα-helixtrans-58.6-45.6-179.2-67.9172.7000111.6L152 S158 L159 I160 F386 M389 L390 M409L152-L156 HydrophobicContact CD1-CD1 4.07Å; L152-L156 HydrophobicContact CD1-CD2 4.23Å; L152-L156 HydrophobicContact CD1-CG 3.81Å; L152-L156 HydrophobicContact CG-CD1 3.9Å; L152-L156 HydrophobicContact CG-CG 4.13Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.34Å; L152-L156 PolarHBondContact O-N 3.33Å; L156-S158 PolarHBondContact O-N 2.74Å; L156-L159 PolarHBondContact O-N 3.06Å; L156-I160 WeakPolarHBondContact O-CB 3.2Å; L156-I160 WeakPolarHBondContact O-CD1 3.4Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.33Å; L156-F386 HydrophobicContact CD2-CB 3.85Å; L156-F386 HydrophobicContact CD2-CD1 3.53Å; L156-F386 HydrophobicContact CD2-CD2 4.07Å; L156-F386 HydrophobicContact CD2-CE1 4.03Å; L156-F386 HydrophobicContact CD2-CG 3.55Å; L156-F386 HydrophobicContact CD2-CZ 4.49Å; L156-M389 HydrophobicContact CD1-CB 3.86Å; L156-M389 HydrophobicContact CD1-CE 4.18Å; L156-L390 HydrophobicContact CB-CD1 4.37Å; L156-L390 HydrophobicContact CB-CD2 3.89Å; L156-L390 HydrophobicContact CB-CG 4.05Å; L156-L390 HydrophobicContact CD1-CD2 4.15Å; L156-L390 HydrophobicContact CD1-CG 4.4Å; L156-M409 HydrophobicContact CD2-SD 4.3Å
157V86.4Confident81.2Confident3 Ų332.6 Ų32.62%0.01816%0.157CC..Hα-helixtrans-51.2-42.8174.6159.70000111.7R153 I155 R302 L390R153-V157 WeakPolarHBondContact O-CB 3.41Å; R153-V157 VanDerWaalsContact O-CG2 3.22Å; R153-V157 WeakPolarHBondContact O-CG2 3.29Å; R153-V157 PolarHBondContact O-N 2.87Å; I155-V157 PolarHBondContact O-N 2.91Å; V157-R302 PolarHBondContact O-NH2 2.98Å; V157-L390 HydrophobicContact CG2-CD1 3.82Å; V157-L390 HydrophobicContact CG2-CD2 4.23Å
158S88.6Confident82.3Confident8 Ų831 Ų316%0.05615%0.152CC..Hα-helixtrans-78.1-42.1-177.8-44.60000112.8K154 I155 L156 E161 V162 G356 I357K154-S158 PolarHBondContact O-N 2.7Å; K154-S158 VanDerWaalsContact O-N 3.17Å; K154-S158 PolarHBondContact O-OG 2.97Å; I155-S158 WeakPolarHBondContact O-CB 3.45Å; I155-S158 PolarHBondContact O-N 2.79Å; L156-S158 PolarHBondContact O-N 2.74Å; S158-E161 WeakPolarHBondContact O-CB 3.43Å; S158-E161 PolarHBondContact O-N 2.68Å; S158-V162 PolarHBondContact O-N 2.8Å; S158-G356 WeakPolarHBondContact OG-CA 3.46Å; S158-I357 PolarHBondContact OG-N 3.23Å
159L89Confident83.1Confident0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-67.2-37.6179-71.2-174.3000112I155 L156 E161 V162 A163 F364 I367 L368 L377 F386 I412I155-L159 HydrophobicContact CG2-CD1 3.61Å; I155-L159 HydrophobicContact CG2-CG 3.96Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.13Å; L156-L159 PolarHBondContact O-N 3.06Å; L159-E161 VanDerWaalsContact C-N 3.29Å; L159-E161 PolarHBondContact O-N 2.97Å; L159-V162 PolarHBondContact O-N 2.78Å; L159-V162 VanDerWaalsContact O-N 3.13Å; L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 2.94Å; L159-F364 HydrophobicContact CD2-CE2 4.39Å; L159-I367 HydrophobicContact CD1-CG2 4.13Å; L159-I367 HydrophobicContact CD2-CG2 3.87Å; L159-L368 HydrophobicContact CD2-CD2 4.02Å; L159-L377 HydrophobicContact CB-CD2 3.94Å; L159-L377 HydrophobicContact CD2-CD1 4.28Å; L159-L377 HydrophobicContact CD2-CD2 4.33Å; L159-F386 HydrophobicContact CB-CD2 4.26Å; L159-F386 HydrophobicContact CB-CE2 4.09Å; L159-F386 HydrophobicContact CD1-CE2 4.03Å; L159-F386 HydrophobicContact CD1-CZ 4.47Å; L159-I412 HydrophobicContact CD1-CD1 3.51Å; L159-I412 HydrophobicContact CD1-CG1 4.24Å
160I87.4Confident83.8Confident1 Ų135 Ų351%0.00518%0.178CC..Hα-helixtrans-58.2-42.4171.9-72.7163.5000110.6L156 V162 A163 Q164 L383 F386 L390L156-I160 WeakPolarHBondContact O-CB 3.2Å; L156-I160 WeakPolarHBondContact O-CD1 3.4Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.33Å; I160-V162 VanDerWaalsContact C-N 3.31Å; I160-V162 PolarHBondContact O-N 3.42Å; I160-A163 PolarHBondContact O-N 3.26Å; I160-Q164 HydrophobicContact CG2-CG 4.28Å; I160-Q164 VanDerWaalsContact O-CB 3.29Å; I160-Q164 WeakPolarHBondContact O-CB 3.37Å; I160-Q164 WeakPolarHBondContact O-CG 3.22Å; I160-Q164 PolarHBondContact O-N 3.06Å; I160-L383 HydrophobicContact CB-CD1 4.09Å; I160-L383 HydrophobicContact CG1-CD1 3.99Å; I160-L383 HydrophobicContact CG2-CD1 3.97Å; I160-F386 HydrophobicContact CD1-CB 3.95Å; I160-F386 HydrophobicContact CG1-CB 3.74Å; I160-F386 HydrophobicContact CG1-CD2 4.48Å; I160-L390 HydrophobicContact CD1-CD1 3.4Å; I160-L390 HydrophobicContact CD1-CG 4.23Å
161E85.3Confident84.1Confident88 Ų8838.5 Ų38.541%0.41120%0.2SC..Hα-helixtrans-64.8-33176.3-79-161.3-156.300113.5S158 L159 K165S158-E161 WeakPolarHBondContact O-CB 3.43Å; S158-E161 PolarHBondContact O-N 2.68Å; L159-E161 VanDerWaalsContact C-N 3.29Å; L159-E161 PolarHBondContact O-N 2.97Å; E161-K165 WeakPolarHBondContact O-CD 3.4Å; E161-K165 WeakPolarHBondContact O-CE 3.37Å; E161-K165 WeakPolarHBondContact O-CG 3.43Å; E161-K165 PolarHBondContact O-N 3.27Å; E161-K165 IonicContact OE2-NZ 3.51Å; E161-K165 PolarHBondContact OE2-NZ 3.17Å
162V88.6Confident84.3Confident31 Ų3140.8 Ų40.819%0.18821%0.214CC..Hα-helixtrans-73.1-49.2175.3176.90000110.4S158 L159 I160 Q164 K165 L166 F364 L368 L377S158-V162 PolarHBondContact O-N 2.8Å; L159-V162 PolarHBondContact O-N 2.78Å; L159-V162 VanDerWaalsContact O-N 3.13Å; I160-V162 VanDerWaalsContact C-N 3.31Å; I160-V162 PolarHBondContact O-N 3.42Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.47Å; V162-K165 CarbonylContact O-C 3.58Å; V162-K165 WeakPolarHBondContact O-CA 3.38Å; V162-K165 WeakPolarHBondContact O-CB 3.08Å; V162-K165 PolarHBondContact O-N 3.16Å; V162-L166 HydrophobicContact CG1-CD1 3.9Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 WeakPolarHBondContact O-CG 3.35Å; V162-L166 PolarHBondContact O-N 3.33Å; V162-F364 HydrophobicContact CG2-CE2 4.38Å; V162-F364 HydrophobicContact CG2-CZ 3.72Å; V162-L368 HydrophobicContact CG1-CD2 4.06Å; V162-L368 HydrophobicContact CG2-CD1 4.37Å; V162-L368 HydrophobicContact CG2-CD2 4.44Å; V162-L377 HydrophobicContact CG1-CD1 4.13Å
163A87.3Confident84.2Confident1 Ų140.6 Ų40.61%0.00821%0.213CC..Hα-helixtrans-61.5-39178.300000112.3L159 I160 K165 L166 L167 L377 L383L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 2.94Å; I160-A163 PolarHBondContact O-N 3.26Å; A163-K165 VanDerWaalsContact C-N 3.33Å; A163-K165 PolarHBondContact O-N 3.33Å; A163-L166 PolarHBondContact O-N 2.66Å; A163-L167 VanDerWaalsContact O-CB 3.25Å; A163-L167 WeakPolarHBondContact O-CB 3.32Å; A163-L167 WeakPolarHBondContact O-CD1 3.33Å; A163-L167 VanDerWaalsContact O-CG 3.31Å; A163-L167 WeakPolarHBondContact O-CG 3.28Å; A163-L167 PolarHBondContact O-N 2.71Å; A163-L377 HydrophobicContact CB-CB 4Å; A163-L377 HydrophobicContact CB-CD2 3.81Å; A163-L377 HydrophobicContact CB-CG 4.48Å; A163-L377 WeakPolarHBondContact CB-O 3.45Å; A163-L383 HydrophobicContact CB-CD1 3.64Å
164Q85.1Confident84Confident37 Ų3740.1 Ų40.117%0.17321%0.213CC..Hα-helixtrans-58.9-43171-75.2179.2-6.100111.9I160 V162 A168 F295 L383I160-Q164 HydrophobicContact CG2-CG 4.28Å; I160-Q164 VanDerWaalsContact O-CB 3.29Å; I160-Q164 WeakPolarHBondContact O-CB 3.37Å; I160-Q164 WeakPolarHBondContact O-CG 3.22Å; I160-Q164 PolarHBondContact O-N 3.06Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.47Å; Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 2.68Å; Q164-F295 HydrophobicContact CB-CD1 4.38Å; Q164-F295 HydrophobicContact CB-CE1 4.21Å; Q164-F295 HydrophobicContact CB-CZ 4.37Å; Q164-F295 HydrophobicContact CG-CD1 3.67Å; Q164-F295 HydrophobicContact CG-CE1 3.75Å; Q164-F295 HydrophobicContact CG-CG 4.28Å; Q164-F295 HydrophobicContact CG-CZ 4.4Å; Q164-L383 HydrophobicContact CG-CD1 4.32Å; Q164-L383 HydrophobicContact CG-CD2 3.98Å
165K84.8Confident84Confident125 Ų12544.5 Ų44.554%0.54323%0.234SC..Hα-helixtrans-67.9-37.1177-69.2160.2-164.1153.50112.2E161 V162 A163 L169E161-K165 WeakPolarHBondContact O-CD 3.4Å; E161-K165 WeakPolarHBondContact O-CE 3.37Å; E161-K165 WeakPolarHBondContact O-CG 3.43Å; E161-K165 PolarHBondContact O-N 3.27Å; E161-K165 IonicContact OE2-NZ 3.51Å; E161-K165 PolarHBondContact OE2-NZ 3.17Å; V162-K165 CarbonylContact O-C 3.58Å; V162-K165 WeakPolarHBondContact O-CA 3.38Å; V162-K165 WeakPolarHBondContact O-CB 3.08Å; V162-K165 PolarHBondContact O-N 3.16Å; A163-K165 VanDerWaalsContact C-N 3.33Å; A163-K165 PolarHBondContact O-N 3.33Å; K165-L169 WeakPolarHBondContact O-CG 3.41Å
166L85.3Confident83.7Confident62 Ų6247.8 Ų47.833%0.32525%0.251SS..Hα-helixtrans-70.4-47176.3-68.7172.9000111.9V162 A163 A168 L169 L377V162-L166 HydrophobicContact CG1-CD1 3.9Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 WeakPolarHBondContact O-CG 3.35Å; V162-L166 PolarHBondContact O-N 3.33Å; A163-L166 PolarHBondContact O-N 2.66Å; L166-A168 VanDerWaalsContact C-N 3.31Å; L166-A168 PolarHBondContact O-N 2.98Å; L166-L169 WeakPolarHBondContact O-CB 3.15Å; L166-L169 PolarHBondContact O-N 3.19Å; L166-L169 VanDerWaalsContact O-N 3.11Å; L166-L377 HydrophobicContact CD1-CB 3.92Å
167L83.6Confident83.3Confident0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-66.4-32.5178.1-71.8161.8000111.8A163 L169 N170 A173 F177 F295 T378 L383A163-L167 VanDerWaalsContact O-CB 3.25Å; A163-L167 WeakPolarHBondContact O-CB 3.32Å; A163-L167 WeakPolarHBondContact O-CD1 3.33Å; A163-L167 VanDerWaalsContact O-CG 3.31Å; A163-L167 WeakPolarHBondContact O-CG 3.28Å; A163-L167 PolarHBondContact O-N 2.71Å; L167-L169 PolarHBondContact O-N 3.05Å; L167-L169 VanDerWaalsContact O-N 3.17Å; L167-N170 PolarHBondContact O-N 3.33Å; L167-A173 VanDerWaalsContact O-CB 3.24Å; L167-A173 WeakPolarHBondContact O-CB 3.4Å; L167-F177 HydrophobicContact CB-CE2 4.33Å; L167-F177 HydrophobicContact CD1-CE2 4.32Å; L167-F177 HydrophobicContact CD1-CZ 3.76Å; L167-F295 HydrophobicContact CB-CZ 4.39Å; L167-T378 WeakPolarHBondContact CD2-O 3.19Å; L167-L383 HydrophobicContact CD1-CB 4.21Å; L167-L383 HydrophobicContact CD1-CD2 4.04Å
168A80.8Confident83Confident27 Ų2752.9 Ų52.922%0.22327%0.273CS..THydrogen-bonded Turntrans-67.8-5.6172.700000114.9Q164 L166 Q288 F295Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 2.68Å; L166-A168 VanDerWaalsContact C-N 3.31Å; L166-A168 PolarHBondContact O-N 2.98Å; A168-Q288 PolarHBondContact O-NE2 3.47Å; A168-F295 HydrophobicContact CB-CE2 4.16Å
169L82.5Confident82.7Confident139 Ų13958.6 Ų58.673%0.72830%0.297SS*.THydrogen-bonded Turntrans-98.7-11.9170.9-62.7168.6000112.8K165 L166 L167K165-L169 WeakPolarHBondContact O-CG 3.41Å; L166-L169 WeakPolarHBondContact O-CB 3.15Å; L166-L169 PolarHBondContact O-N 3.19Å; L166-L169 VanDerWaalsContact O-N 3.11Å; L167-L169 PolarHBondContact O-N 3.05Å; L167-L169 VanDerWaalsContact O-N 3.17Å
170N80.7Confident82.3Confident60 Ų6059 Ų5932%0.32130%0.3SS..  trans-89120179.9-71.1-22.5000110L167 D172 A173L167-N170 PolarHBondContact O-N 3.33Å; N170-D172 PolarHBondContact O-N 3.24Å; N170-A173 HydrophobicContact CB-CB 4.26Å; N170-A173 VanDerWaalsContact O-CB 3.26Å; N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 3.42Å; N170-A173 VanDerWaalsContact O-N 3.16Å
171P76Confident81.8Confident99 Ų9962.2 Ų62.264%0.64332%0.317SS*.THydrogen-bonded Turntrans-64-28.1-17425.7-34.9000113.4
172D80.6Confident81.5Confident102 Ų10260 Ų6055%0.54532%0.315SS..THydrogen-bonded Turntrans-90.71.6-176.8-51.2-37.3000112.9N170 V174 E175 L176N170-D172 PolarHBondContact O-N 3.24Å; D172-V174 PolarHBondContact O-N 2.65Å; D172-V174 VanDerWaalsContact O-N 3.08Å; D172-E175 PolarHBondContact O-N 3.2Å; D172-L176 HydrophobicContact CB-CD1 4.34Å; D172-L176 HydrophobicContact CB-CG 4.41Å; D172-L176 WeakPolarHBondContact O-CG 3.43Å; D172-L176 PolarHBondContact O-N 3.22Å
173A78.1Confident80.6Confident0 Ų062.9 Ų62.90%033%0.327CS..Hα-helixtrans-55.1-34.5-171.600000113.8L167 N170 E175 L176 F177 L291L167-A173 VanDerWaalsContact O-CB 3.24Å; L167-A173 WeakPolarHBondContact O-CB 3.4Å; N170-A173 HydrophobicContact CB-CB 4.26Å; N170-A173 VanDerWaalsContact O-CB 3.26Å; N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 3.42Å; N170-A173 VanDerWaalsContact O-N 3.16Å; A173-E175 VanDerWaalsContact C-N 3.32Å; A173-E175 PolarHBondContact O-N 3.17Å; A173-L176 PolarHBondContact O-N 2.84Å; A173-F177 WeakPolarHBondContact O-CB 3.41Å; A173-F177 WeakPolarHBondContact O-CD2 3.42Å; A173-F177 PolarHBondContact O-N 3.28Å; A173-L291 HydrophobicContact CB-CD1 4.21Å; A173-L291 HydrophobicContact CB-CD2 3.9Å
174V77Confident79.8Confident11 Ų1163.9 Ų63.97%0.06733%0.332CS..Hα-helixtrans-59.6-42176176.20000111.9D172 K178 R287 E290 L291D172-V174 PolarHBondContact O-N 2.65Å; D172-V174 VanDerWaalsContact O-N 3.08Å; V174-K178 HydrophobicContact CG1-CD 4.06Å; V174-K178 VanDerWaalsContact CG1-CE 3.5Å; V174-K178 WeakPolarHBondContact O-CD 3.44Å; V174-K178 VanDerWaalsContact O-CG 3.25Å; V174-K178 WeakPolarHBondContact O-CG 3.15Å; V174-K178 PolarHBondContact O-N 3.06Å; V174-K178 VanDerWaalsContact O-N 3.15Å; V174-R287 HydrophobicContact CG2-CB 4.48Å; V174-E290 HydrophobicContact CG2-CB 4.47Å; V174-L291 HydrophobicContact CB-CD2 4.47Å; V174-L291 HydrophobicContact CG2-CD1 4.28Å; V174-L291 HydrophobicContact CG2-CD2 3.63Å; V174-L291 HydrophobicContact CG2-CG 3.56Å
175E81.6Confident79Confident136 Ų13667.4 Ų67.464%0.63635%0.352SS*.Hα-helixtrans-77.6-37.1-180-62.5-172-173.100110.9D172 A173 F177 K178 K179D172-E175 PolarHBondContact O-N 3.2Å; A173-E175 VanDerWaalsContact C-N 3.32Å; A173-E175 PolarHBondContact O-N 3.17Å; E175-F177 PolarHBondContact O-N 3.18Å; E175-K178 PolarHBondContact O-N 3.42Å; E175-K179 WeakPolarHBondContact O-CB 3.26Å; E175-K179 PolarHBondContact O-N 2.83Å
176L80.6Confident78.1Confident72 Ų7267.8 Ų67.838%0.37736%0.356SS..Hα-helixtrans-63.1-39.2174.2-61.1172.5000111.9D172 A173 A180 P380D172-L176 HydrophobicContact CB-CD1 4.34Å; D172-L176 HydrophobicContact CB-CG 4.41Å; D172-L176 WeakPolarHBondContact O-CG 3.43Å; D172-L176 PolarHBondContact O-N 3.22Å; A173-L176 PolarHBondContact O-N 2.84Å; L176-A180 VanDerWaalsContact O-CB 3.25Å; L176-A180 WeakPolarHBondContact O-CB 2.98Å; L176-A180 PolarHBondContact O-N 3.32Å; L176-P380 HydrophobicContact CB-CG 3.88Å
177F79.1Confident76.9Confident2 Ų266.9 Ų66.91%0.00935%0.351CS..Hα-helixtrans-66.8-43.7171.9-85.8-63000113L167 A173 E175 K179 A180 N181 L291 I294 F295 I298 P380 L383 L384L167-F177 HydrophobicContact CB-CE2 4.33Å; L167-F177 HydrophobicContact CD1-CE2 4.32Å; L167-F177 HydrophobicContact CD1-CZ 3.76Å; A173-F177 WeakPolarHBondContact O-CB 3.41Å; A173-F177 WeakPolarHBondContact O-CD2 3.42Å; A173-F177 PolarHBondContact O-N 3.28Å; E175-F177 PolarHBondContact O-N 3.18Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.33Å; F177-A180 PolarHBondContact O-N 2.77Å; F177-N181 PolarHBondContact O-N 2.84Å; F177-L291 HydrophobicContact CD2-CD2 4.05Å; F177-L291 HydrophobicContact CE2-CD2 4.33Å; F177-I294 HydrophobicContact CG-CG2 4.39Å; F177-F295 AromaticContact CE2-CE1 3.67Å; F177-F295 HydrophobicContact CE2-CE1 3.67Å; F177-F295 AromaticContact CE2-CZ 3.88Å; F177-F295 HydrophobicContact CE2-CZ 3.88Å; F177-F295 AromaticContact CZ-CE1 3.64Å; F177-F295 HydrophobicContact CZ-CE1 3.64Å; F177-F295 HydrophobicContact CZ-CZ 4.24Å; F177-I298 HydrophobicContact CE1-CD1 4.37Å; F177-P380 HydrophobicContact CD1-CB 3.58Å; F177-P380 HydrophobicContact CE1-CB 3.49Å; F177-P380 VanDerWaalsContact CE1-CB 3.49Å; F177-P380 HydrophobicContact CG-CB 4.13Å; F177-P380 HydrophobicContact CZ-CB 3.98Å; F177-L383 HydrophobicContact CE1-CD2 3.8Å; F177-L383 HydrophobicContact CZ-CD2 3.55Å; F177-L384 HydrophobicContact CD1-CD1 4.47Å
178K81.3Confident75.8Confident109 Ų10971.3 Ų71.347%0.47438%0.375SS..Hα-helixtrans-61.8-39.7177.7-73.7166.3-173.7172.10111.1V174 E175 A182 E290V174-K178 HydrophobicContact CG1-CD 4.06Å; V174-K178 VanDerWaalsContact CG1-CE 3.5Å; V174-K178 WeakPolarHBondContact O-CD 3.44Å; V174-K178 VanDerWaalsContact O-CG 3.25Å; V174-K178 WeakPolarHBondContact O-CG 3.15Å; V174-K178 PolarHBondContact O-N 3.06Å; V174-K178 VanDerWaalsContact O-N 3.15Å; E175-K178 PolarHBondContact O-N 3.42Å; K178-A182 PolarHBondContact O-N 3.25Å; K178-E290 IonicContact NZ-OE2 2.8Å; K178-E290 PolarHBondContact NZ-OE2 2.8Å
179K82.4Confident74.6Confident128 Ų12876.8 Ų76.856%0.55740%0.396SS*.Hα-helixtrans-68.4-44.7173.4-171.3-171.4177.1-161.60112.5E175 F177 A182 M183E175-K179 WeakPolarHBondContact O-CB 3.26Å; E175-K179 PolarHBondContact O-N 2.83Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.33Å; K179-A182 PolarHBondContact O-N 3.17Å; K179-M183 HydrophobicContact CD-SD 4.32Å; K179-M183 HydrophobicContact CG-SD 4.05Å; K179-M183 WeakPolarHBondContact O-CG 3.44Å; K179-M183 PolarHBondContact O-N 2.99Å
180A79.8Confident73.5Confident8 Ų876.3 Ų76.37%0.06639%0.394CS..Hα-helixtrans-63.5-44.8-178.600000111.8L176 F177 A182 M183 L184 P380 L384L176-A180 VanDerWaalsContact O-CB 3.25Å; L176-A180 WeakPolarHBondContact O-CB 2.98Å; L176-A180 PolarHBondContact O-N 3.32Å; F177-A180 PolarHBondContact O-N 2.77Å; A180-A182 PolarHBondContact O-N 3.46Å; A180-M183 PolarHBondContact O-N 2.98Å; A180-L184 WeakPolarHBondContact O-CG 3.48Å; A180-L184 PolarHBondContact O-N 3.4Å; A180-P380 HydrophobicContact CB-CB 4.08Å; A180-P380 HydrophobicContact CB-CG 3.92Å; A180-L384 HydrophobicContact CB-CD1 3.73Å
181N78.1Confident72.5Confident69 Ų6977.6 Ų77.637%0.36939%0.394SS..Hα-helixtrans-56.8-51.3173.9-72.4-14.1000111.4F177 M183 L184 D185 L384F177-N181 PolarHBondContact O-N 2.84Å; N181-M183 VanDerWaalsContact C-N 3.27Å; N181-M183 PolarHBondContact O-N 3.15Å; N181-L184 CarbonylContact O-C 3.56Å; N181-L184 WeakPolarHBondContact O-CA 3.47Å; N181-L184 WeakPolarHBondContact O-CB 3.5Å; N181-L184 PolarHBondContact O-N 3.17Å; N181-D185 VanDerWaalsContact O-CG 3.27Å; N181-D185 PolarHBondContact O-N 2.76Å; N181-L384 WeakPolarHBondContact OD1-CD1 3.27Å; N181-L384 WeakPolarHBondContact OD1-CD2 3.32Å
182A78.7Confident72Confident43 Ų4374.6 Ų74.636%0.35537%0.374SS..Hα-helixtrans-59-37.3179.600000113K178 K179 A180 L184 D185 E186K178-A182 PolarHBondContact O-N 3.25Å; K179-A182 PolarHBondContact O-N 3.17Å; A180-A182 PolarHBondContact O-N 3.46Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 2.85Å; A182-D185 PolarHBondContact O-N 3.27Å; A182-E186 WeakPolarHBondContact O-CB 3.45Å; A182-E186 WeakPolarHBondContact O-CG 3.25Å; A182-E186 PolarHBondContact O-N 3Å
183M70.4Confident71.4Confident91 Ų9172.9 Ų72.945%0.44837%0.365SS..Hα-helixtrans-70.8-23.2174.6-71.4179.1130.600113.5K179 A180 N181 D187K179-M183 HydrophobicContact CD-SD 4.32Å; K179-M183 HydrophobicContact CG-SD 4.05Å; K179-M183 WeakPolarHBondContact O-CG 3.44Å; K179-M183 PolarHBondContact O-N 2.99Å; A180-M183 PolarHBondContact O-N 2.98Å; N181-M183 VanDerWaalsContact C-N 3.27Å; N181-M183 PolarHBondContact O-N 3.15Å; M183-D187 VanDerWaalsContact O-CB 3.32Å; M183-D187 WeakPolarHBondContact O-CB 3.36Å; M183-D187 PolarHBondContact O-N 2.84Å
184L69.2Low71.3Confident21 Ų2180.5 Ų80.511%0.1140%0.401CS..Hα-helixtrans-82.4-40.3172.1-65.1-171.9000111.9A180 N181 A182 E186 D187 D188 K381 L384 W399A180-L184 WeakPolarHBondContact O-CG 3.48Å; A180-L184 PolarHBondContact O-N 3.4Å; N181-L184 CarbonylContact O-C 3.56Å; N181-L184 WeakPolarHBondContact O-CA 3.47Å; N181-L184 WeakPolarHBondContact O-CB 3.5Å; N181-L184 PolarHBondContact O-N 3.17Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 2.85Å; L184-E186 PolarHBondContact O-N 3.49Å; L184-D187 PolarHBondContact O-N 2.87Å; L184-D188 WeakPolarHBondContact O-CB 3.39Å; L184-D188 PolarHBondContact O-N 3.44Å; L184-K381 HydrophobicContact CD2-CD 4.31Å; L184-K381 HydrophobicContact CD2-CG 4.02Å; L184-L384 HydrophobicContact CD1-CB 3.75Å; L184-L384 HydrophobicContact CD1-CD1 4Å; L184-L384 HydrophobicContact CD1-CG 4.49Å; L184-W399 HydrophobicContact CD1-CH2 3.96Å; L184-W399 HydrophobicContact CD2-CH2 3.59Å; L184-W399 HydrophobicContact CD2-CZ3 4.27Å; L184-W399 HydrophobicContact CG-CH2 4.44Å
185D69.4Low71.2Confident112 Ų11284 Ų8460%0.59942%0.422SS*.Hα-helixtrans-57.3-39.3171.3-58.9-42.3000110N181 A182 E189N181-D185 VanDerWaalsContact O-CG 3.27Å; N181-D185 PolarHBondContact O-N 2.76Å; A182-D185 PolarHBondContact O-N 3.27Å; D185-E189 WeakPolarHBondContact O-CB 3.28Å; D185-E189 PolarHBondContact O-N 3.01Å
186E64.8Low71Confident132 Ų13277.5 Ų77.562%0.61739%0.392SS*.Hα-helixtrans-70.7-47.1171.7-72.4171.6-178.500113.5A182 L184 D188 E189 D190A182-E186 WeakPolarHBondContact O-CB 3.45Å; A182-E186 WeakPolarHBondContact O-CG 3.25Å; A182-E186 PolarHBondContact O-N 3Å; L184-E186 PolarHBondContact O-N 3.49Å; E186-D188 VanDerWaalsContact C-N 3.27Å; E186-D188 PolarHBondContact O-N 2.96Å; E186-E189 PolarHBondContact O-N 3.11Å; E186-D190 PolarHBondContact O-N 3.13Å
187D60.2Low71Confident43 Ų4375 Ų7523%0.2338%0.379CS..Hα-helixtrans-57.5-38.1176.9-105-33.5000111.5M183 L184 R191 K381M183-D187 VanDerWaalsContact O-CB 3.32Å; M183-D187 WeakPolarHBondContact O-CB 3.36Å; M183-D187 PolarHBondContact O-N 2.84Å; L184-D187 PolarHBondContact O-N 2.87Å; D187-R191 WeakPolarHBondContact O-CB 3.38Å; D187-R191 VanDerWaalsContact O-CD 3.28Å; D187-R191 WeakPolarHBondContact O-CD 3.39Å; D187-R191 WeakPolarHBondContact O-CG 3.3Å; D187-R191 PolarHBondContact O-N 3.4Å; D187-R191 IonicContact OD1-CZ 3.45Å; D187-R191 IonicContact OD1-NE 3.82Å; D187-R191 IonicContact OD1-NH2 2.8Å; D187-R191 PolarHBondContact OD1-NH2 3.23Å; D187-R191 IonicContact OD2-CZ 3.99Å; D187-R191 IonicContact OD2-NH2 3.31Å; D187-R191 PolarHBondContact OD2-NH2 3.25Å; D187-K381 IonicContact OD2-NZ 2.8Å; D187-K381 PolarHBondContact OD2-NZ 3.05Å
188D60.8Low71.2Confident93 Ų9380.1 Ų80.150%0.49740%0.403SS..Hα-helixtrans-82.8-29.7179.8-73.6-20.3000112.9L184 E186 D190L184-D188 WeakPolarHBondContact O-CB 3.39Å; L184-D188 PolarHBondContact O-N 3.44Å; E186-D188 VanDerWaalsContact C-N 3.27Å; E186-D188 PolarHBondContact O-N 2.96Å; D188-D190 VanDerWaalsContact C-N 3.31Å; D188-D190 PolarHBondContact O-N 2.97Å
189E55.5Low71.3Confident143 Ų14379.6 Ų79.667%0.66840%0.402SS*.Hα-helixtrans-70.3-22.6171.6-85.5-145.5150.100113.3D185 E186 R215D185-E189 WeakPolarHBondContact O-CB 3.28Å; D185-E189 PolarHBondContact O-N 3.01Å; E186-E189 PolarHBondContact O-N 3.11Å; E189-R215 PolarHBondContact O-NH1 3.23Å; E189-R215 PolarHBondContact O-NH2 2.96Å
190D58.4Low71.3Confident128 Ų12873.5 Ų73.568%0.68438%0.375SS*.Hα-helixtrans-91.2-34.3174.7-95.8-24.6000113.6E186 D188 V192 R215E186-D190 PolarHBondContact O-N 3.13Å; D188-D190 VanDerWaalsContact C-N 3.31Å; D188-D190 PolarHBondContact O-N 2.97Å; D190-V192 PolarHBondContact O-N 3.3Å; D190-R215 PolarHBondContact O-NH2 3.37Å
191R60Low71.6Confident88 Ų8875.9 Ų75.933%0.33239%0.389SS..  trans-70.9124.9-172.7-77.5170.9-172.1164.89.4114.1D187 M219D187-R191 WeakPolarHBondContact O-CB 3.38Å; D187-R191 VanDerWaalsContact O-CD 3.28Å; D187-R191 WeakPolarHBondContact O-CD 3.39Å; D187-R191 WeakPolarHBondContact O-CG 3.3Å; D187-R191 PolarHBondContact O-N 3.4Å; D187-R191 IonicContact OD1-CZ 3.45Å; D187-R191 IonicContact OD1-NE 3.82Å; D187-R191 IonicContact OD1-NH2 2.8Å; D187-R191 PolarHBondContact OD1-NH2 3.23Å; D187-R191 IonicContact OD2-CZ 3.99Å; D187-R191 IonicContact OD2-NH2 3.31Å; D187-R191 PolarHBondContact OD2-NH2 3.25Å; R191-M219 WeakPolarHBondContact O-CE 3.22Å
192V65.6Low72Confident35 Ų3579.5 Ų79.521%0.21240%0.404CS..  trans-129.5138.5168.8-175.80000107.6D190 E194 L197 I211 L214 R215 M219D190-V192 PolarHBondContact O-N 3.3Å; V192-E194 PolarHBondContact O-N 3.39Å; V192-E194 VanDerWaalsContact O-N 3.08Å; V192-L197 HydrophobicContact CG1-CB 4.13Å; V192-L197 HydrophobicContact CG1-CD2 4.27Å; V192-I211 HydrophobicContact CG1-CG1 4.34Å; V192-I211 HydrophobicContact CG2-CB 4.43Å; V192-I211 HydrophobicContact CG2-CG1 4.2Å; V192-I211 HydrophobicContact CG2-CG2 3.93Å; V192-L214 HydrophobicContact CG1-CB 4.35Å; V192-L214 HydrophobicContact CG1-CD1 3.81Å; V192-R215 HydrophobicContact CG2-CG 4.25Å; V192-R215 VanDerWaalsContact CG2-NE 3.34Å; V192-M219 HydrophobicContact CB-SD 4.44Å; V192-M219 HydrophobicContact CG1-SD 3.97Å
193D69.1Low72.1Confident67 Ų6782.9 Ų82.936%0.35841%0.414SS..  trans-66.7108.1171.8178.1-11.4000109.1T195 A196 L197 M219D193-T195 PolarHBondContact O-N 3.47Å; D193-T195 WeakPolarHBondContact OD1-CA 3.39Å; D193-T195 WeakPolarHBondContact OD1-CB 3.49Å; D193-T195 PolarHBondContact OD1-N 3.17Å; D193-T195 PolarHBondContact OD1-OG1 3.32Å; D193-T195 PolarHBondContact OD2-OG1 3.02Å; D193-A196 HydrophobicContact CB-CB 3.8Å; D193-A196 WeakPolarHBondContact O-CB 3.02Å; D193-A196 PolarHBondContact O-N 3.26Å; D193-A196 VanDerWaalsContact O-N 3.12Å; D193-A196 PolarHBondContact OD1-N 3.05Å; D193-L197 WeakPolarHBondContact O-CB 3.49Å; D193-L197 PolarHBondContact O-N 2.72Å; D193-M219 HydrophobicContact CB-CG 3.41Å; D193-M219 VanDerWaalsContact CB-CG 3.41Å; D193-M219 HydrophobicContact CB-SD 4.06Å; D193-M219 PolarHBondContact N-SD 3.35Å
194E74.4Confident72.7Confident160 Ų16081.5 Ų81.575%0.74842%0.423SS*.Hα-helixtrans-57.8-29.9-179.8-164.2173.4-16000112V192 Q198V192-E194 PolarHBondContact O-N 3.39Å; V192-E194 VanDerWaalsContact O-N 3.08Å; E194-Q198 VanDerWaalsContact O-CB 3.23Å; E194-Q198 WeakPolarHBondContact O-CB 3.23Å; E194-Q198 PolarHBondContact O-N 3.41Å
195T76.3Confident73.3Confident83 Ų8382.2 Ų82.251%0.50943%0.425SS..Hα-helixtrans-77.6-35.5177.576.80000112.4D193 Q199D193-T195 PolarHBondContact O-N 3.47Å; D193-T195 WeakPolarHBondContact OD1-CA 3.39Å; D193-T195 WeakPolarHBondContact OD1-CB 3.49Å; D193-T195 PolarHBondContact OD1-N 3.17Å; D193-T195 PolarHBondContact OD1-OG1 3.32Å; D193-T195 PolarHBondContact OD2-OG1 3.02Å; T195-Q199 VanDerWaalsContact O-CG 3.32Å; T195-Q199 WeakPolarHBondContact O-CG 3.28Å; T195-Q199 PolarHBondContact O-N 3.46Å; T195-Q199 VanDerWaalsContact O-N 3.14Å; T195-Q199 PolarHBondContact O-NE2 3.14Å
196A76.5Confident74Confident1 Ų180 Ų801%0.00842%0.417CS..Hα-helixtrans-70.5-40.2173.100000111.1D193 Q199 L200 L214 V221D193-A196 HydrophobicContact CB-CB 3.8Å; D193-A196 WeakPolarHBondContact O-CB 3.02Å; D193-A196 PolarHBondContact O-N 3.26Å; D193-A196 VanDerWaalsContact O-N 3.12Å; D193-A196 PolarHBondContact OD1-N 3.05Å; A196-Q199 PolarHBondContact O-N 2.91Å; A196-L200 PolarHBondContact O-N 3.03Å; A196-L214 HydrophobicContact CB-CD1 3.96Å; A196-L214 HydrophobicContact CB-CD2 3.75Å; A196-V221 HydrophobicContact CB-CG2 3.48Å; A196-V221 VanDerWaalsContact CB-CG2 3.48Å
197L81.6Confident74.8Confident19 Ų1979.3 Ų79.310%0.09941%0.414CS..Hα-helixtrans-64.8-44.4175.1-179.956.3000111.6V192 D193 Q199 L200 T201 E207 A210 I211 L214V192-L197 HydrophobicContact CG1-CB 4.13Å; V192-L197 HydrophobicContact CG1-CD2 4.27Å; D193-L197 WeakPolarHBondContact O-CB 3.49Å; D193-L197 PolarHBondContact O-N 2.72Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 2.78Å; L197-L200 PolarHBondContact O-N 3Å; L197-T201 WeakPolarHBondContact O-CB 3.33Å; L197-T201 PolarHBondContact O-N 2.99Å; L197-T201 PolarHBondContact O-OG1 2.95Å; L197-E207 HydrophobicContact CD1-CG 3.92Å; L197-E207 HydrophobicContact CD2-CG 4.02Å; L197-E207 HydrophobicContact CG-CG 4.21Å; L197-A210 HydrophobicContact CD1-CB 3.58Å; L197-I211 HydrophobicContact CD1-CG1 3.78Å; L197-I211 HydrophobicContact CD2-CD1 4.12Å; L197-I211 HydrophobicContact CD2-CG1 3.76Å; L197-I211 HydrophobicContact CG-CG1 4.42Å; L197-L214 HydrophobicContact CB-CD1 4.02Å; L197-L214 HydrophobicContact CD1-CD1 4.46Å
198Q82.6Confident75.7Confident110 Ų11080.8 Ų80.851%0.51443%0.427SS..Hα-helixtrans-59.7-44.2174.8-177.3176.8-10.800111.2E194 L200 T201 E202E194-Q198 VanDerWaalsContact O-CB 3.23Å; E194-Q198 WeakPolarHBondContact O-CB 3.23Å; E194-Q198 PolarHBondContact O-N 3.41Å; Q198-L200 PolarHBondContact O-N 2.86Å; Q198-T201 PolarHBondContact O-N 2.59Å; Q198-E202 HydrophobicContact CG-CG 4.23Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.49Å; Q198-E202 PolarHBondContact NE2-OE1 2.89Å; Q198-E202 WeakPolarHBondContact O-CB 3.45Å; Q198-E202 WeakPolarHBondContact O-CG 3.39Å; Q198-E202 PolarHBondContact O-N 3.14Å
199Q83.3Confident76.7Confident97 Ų9777.5 Ų77.545%0.45341%0.408SS..Hα-helixtrans-59.6-46.2177.8-76.2169.351.800112.7T195 A196 L197 T201 E202 M203 V221T195-Q199 VanDerWaalsContact O-CG 3.32Å; T195-Q199 WeakPolarHBondContact O-CG 3.28Å; T195-Q199 PolarHBondContact O-N 3.46Å; T195-Q199 VanDerWaalsContact O-N 3.14Å; T195-Q199 PolarHBondContact O-NE2 3.14Å; A196-Q199 PolarHBondContact O-N 2.91Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 2.78Å; Q199-T201 VanDerWaalsContact C-N 3.34Å; Q199-T201 PolarHBondContact O-N 2.76Å; Q199-E202 PolarHBondContact O-N 3.44Å; Q199-M203 WeakPolarHBondContact O-CG 3.4Å; Q199-M203 PolarHBondContact O-N 2.83Å; Q199-M203 VanDerWaalsContact O-N 3.1Å; Q199-V221 HydrophobicContact CB-CG1 4.35Å
200L83.2Confident78Confident0 Ų070.7 Ų70.70%038%0.376CS..Hα-helixtrans-67.9-34.1177.4-66.1175000112.4A196 L197 Q198 M203 G204 F205 A210 L214 V221 A224 M225 L228A196-L200 PolarHBondContact O-N 3.03Å; L197-L200 PolarHBondContact O-N 3Å; Q198-L200 PolarHBondContact O-N 2.86Å; L200-M203 PolarHBondContact O-N 3.36Å; L200-G204 PolarHBondContact O-N 3.15Å; L200-F205 HydrophobicContact CD2-CD2 4.43Å; L200-F205 WeakPolarHBondContact O-CD2 3.43Å; L200-F205 PolarHBondContact O-N 3.06Å; L200-F205 VanDerWaalsContact O-N 3.15Å; L200-A210 HydrophobicContact CB-CB 3.75Å; L200-A210 HydrophobicContact CD1-CB 3.98Å; L200-L214 HydrophobicContact CD1-CD1 3.92Å; L200-L214 HydrophobicContact CD1-CD2 3.87Å; L200-L214 HydrophobicContact CD1-CG 3.67Å; L200-V221 HydrophobicContact CD2-CG1 4.01Å; L200-V221 HydrophobicContact CG-CG1 4.29Å; L200-A224 HydrophobicContact CD1-CB 3.87Å; L200-M225 HydrophobicContact CD2-CB 3.96Å; L200-M225 HydrophobicContact CD2-CG 4.5Å; L200-L228 HydrophobicContact CD1-CD1 3.98Å; L200-L228 HydrophobicContact CD2-CD1 4.08Å; L200-L228 HydrophobicContact CG-CD1 4.46Å
201T85.2Confident78.9Confident59 Ų5966.4 Ų66.436%0.36235%0.353SS..Hα-helixtrans-72.4-37.8177.7-52.90000111.7L197 Q198 Q199 M203 G204L197-T201 WeakPolarHBondContact O-CB 3.33Å; L197-T201 PolarHBondContact O-N 2.99Å; L197-T201 PolarHBondContact O-OG1 2.95Å; Q198-T201 PolarHBondContact O-N 2.59Å; Q199-T201 VanDerWaalsContact C-N 3.34Å; Q199-T201 PolarHBondContact O-N 2.76Å; T201-M203 VanDerWaalsContact C-N 3.27Å; T201-M203 PolarHBondContact O-N 3.19Å; T201-G204 WeakPolarHBondContact O-CA 3.28Å; T201-G204 PolarHBondContact O-N 3.25Å
202E86.6Confident79.7Confident144 Ų14464.9 Ų64.967%0.67335%0.349SS*.Hα-helixtrans-65.8-28.4171.8-75.8-178.6-172.500112.5Q198 Q199 G204Q198-E202 HydrophobicContact CG-CG 4.23Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.49Å; Q198-E202 PolarHBondContact NE2-OE1 2.89Å; Q198-E202 WeakPolarHBondContact O-CB 3.45Å; Q198-E202 WeakPolarHBondContact O-CG 3.39Å; Q198-E202 PolarHBondContact O-N 3.14Å; Q199-E202 PolarHBondContact O-N 3.44Å; E202-G204 PolarHBondContact O-N 3.29Å
203M81.5Confident80.3Confident114 Ų11463.2 Ų63.256%0.56234%0.338SS*.THydrogen-bonded Turntrans-74.6-5168.9-69.9-175.266.900113.9Q199 L200 T201 F205 M225Q199-M203 WeakPolarHBondContact O-CG 3.4Å; Q199-M203 PolarHBondContact O-N 2.83Å; Q199-M203 VanDerWaalsContact O-N 3.1Å; L200-M203 PolarHBondContact O-N 3.36Å; T201-M203 VanDerWaalsContact C-N 3.27Å; T201-M203 PolarHBondContact O-N 3.19Å; M203-F205 HydrophobicContact CB-CD2 4.11Å; M203-F205 HydrophobicContact CB-CE2 4.22Å; M203-M225 HydrophobicContact CE-CG 4.35Å; M203-M225 HydrophobicContact CE-SD 3.6Å; M203-M225 VanDerWaalsContact CE-SD 3.6Å; M203-M225 HydrophobicContact SD-SD 4.29Å
204G81.9Confident80.8Confident63 Ų6360 Ų6065%0.64932%0.321SS*.THydrogen-bonded Turntrans93.29.9174.400000115.6L200 T201 E202L200-G204 PolarHBondContact O-N 3.15Å; T201-G204 WeakPolarHBondContact O-CA 3.28Å; T201-G204 PolarHBondContact O-N 3.25Å; E202-G204 PolarHBondContact O-N 3.29Å
205F81.7Confident80.6Confident36 Ų3656.6 Ų56.616%0.15830%0.302CS..  trans-78.1143.6172.2-64.3-75.4000111L200 M203 E207 M225 L228 I229L200-F205 HydrophobicContact CD2-CD2 4.43Å; L200-F205 WeakPolarHBondContact O-CD2 3.43Å; L200-F205 PolarHBondContact O-N 3.06Å; L200-F205 VanDerWaalsContact O-N 3.15Å; M203-F205 HydrophobicContact CB-CD2 4.11Å; M203-F205 HydrophobicContact CB-CE2 4.22Å; F205-E207 PolarHBondContact O-N 3.41Å; F205-M225 HydrophobicContact CE2-CG 4.14Å; F205-M225 HydrophobicContact CZ-CG 4.44Å; F205-L228 HydrophobicContact CB-CD1 4.11Å; F205-L228 HydrophobicContact CD1-CB 4.01Å; F205-L228 HydrophobicContact CD1-CD1 4.07Å; F205-L228 HydrophobicContact CD1-CD2 4.15Å; F205-L228 HydrophobicContact CD1-CG 4.31Å; F205-L228 HydrophobicContact CD2-CD1 3.98Å; F205-L228 HydrophobicContact CE1-CB 3.8Å; F205-L228 HydrophobicContact CE1-CD1 4.49Å; F205-L228 HydrophobicContact CE2-CD1 4.4Å; F205-L228 HydrophobicContact CG-CD1 3.79Å; F205-L228 HydrophobicContact CG-CD2 4.48Å; F205-L228 HydrophobicContact CZ-CB 4.18Å; F205-I229 HydrophobicContact CZ-CG1 4.19Å
206P84.9Confident80.4Confident64 Ų6457.4 Ų57.442%0.41630%0.302SS..  trans-62.1135.2175.5-2233.2000111.8S208 R209 A210P206-S208 VanDerWaalsContact C-N 3.32Å; P206-S208 PolarHBondContact O-N 3.48Å; P206-R209 HydrophobicContact CB-CB 4.28Å; P206-R209 CarbonylContact O-C 3.6Å; P206-R209 WeakPolarHBondContact O-CA 3.46Å; P206-R209 WeakPolarHBondContact O-CB 3.47Å; P206-R209 PolarHBondContact O-N 3.38Å; P206-A210 PolarHBondContact O-N 3.29Å
207E80.8Confident80.1Confident118 Ų11858.6 Ų58.655%0.55131%0.309SS*.Hα-helixtrans-52-46.2-177.5-169.1-173.4162.700112.6L197 F205 R209 A210 I211L197-E207 HydrophobicContact CD1-CG 3.92Å; L197-E207 HydrophobicContact CD2-CG 4.02Å; L197-E207 HydrophobicContact CG-CG 4.21Å; F205-E207 PolarHBondContact O-N 3.41Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.18Å; E207-A210 PolarHBondContact O-N 2.97Å; E207-I211 HydrophobicContact CG-CD1 4.15Å; E207-I211 WeakPolarHBondContact O-CB 3.26Å; E207-I211 VanDerWaalsContact O-CG1 3.27Å; E207-I211 WeakPolarHBondContact O-CG1 3.28Å; E207-I211 PolarHBondContact O-N 2.98Å
208S80.4Confident79.3Confident74 Ų7465.9 Ų65.952%0.51734%0.342SS..Hα-helixtrans-60-35.3176.254.60000113.7P206 K212P206-S208 VanDerWaalsContact C-N 3.32Å; P206-S208 PolarHBondContact O-N 3.48Å; S208-K212 WeakPolarHBondContact O-CB 3.37Å; S208-K212 PolarHBondContact O-N 3.3Å
209R81.1Confident78.6Confident24 Ų2463.5 Ų63.59%0.09133%0.332CS..Hα-helixtrans-78.8-38.2177.8-152.3-172.8-77.9-164.17.2110.9P206 E207 K212 A213 L228 H231 V232 V237 D238P206-R209 HydrophobicContact CB-CB 4.28Å; P206-R209 CarbonylContact O-C 3.6Å; P206-R209 WeakPolarHBondContact O-CA 3.46Å; P206-R209 WeakPolarHBondContact O-CB 3.47Å; P206-R209 PolarHBondContact O-N 3.38Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.18Å; R209-K212 PolarHBondContact O-N 2.98Å; R209-A213 WeakPolarHBondContact O-CB 3.39Å; R209-A213 PolarHBondContact O-N 3.15Å; R209-L228 HydrophobicContact CB-CD2 3.95Å; R209-L228 HydrophobicContact CG-CD2 3.54Å; R209-H231 PolarHBondContact NH1-O 2.9Å; R209-V232 PolarHBondContact NH1-O 3.45Å; R209-V237 HydrophobicContact CG-CG1 3.78Å; R209-D238 IonicContact CZ-OD1 3.28Å; R209-D238 VanDerWaalsContact CZ-OD1 3.28Å; R209-D238 IonicContact CZ-OD2 3.78Å; R209-D238 IonicContact NE-OD1 2.81Å; R209-D238 PolarHBondContact NE-OD1 3.42Å; R209-D238 IonicContact NH2-OD1 2.98Å; R209-D238 PolarHBondContact NH2-OD1 3.47Å; R209-D238 IonicContact NH2-OD2 2.74Å; R209-D238 PolarHBondContact NH2-OD2 3.29Å
210A82.3Confident78Confident0 Ų060.7 Ų60.70%032%0.323CS..Hα-helixtrans-64.3-43.5174.200000112.3L197 L200 P206 E207 K212 A213 L214L197-A210 HydrophobicContact CD1-CB 3.58Å; L200-A210 HydrophobicContact CB-CB 3.75Å; L200-A210 HydrophobicContact CD1-CB 3.98Å; P206-A210 PolarHBondContact O-N 3.29Å; E207-A210 PolarHBondContact O-N 2.97Å; A210-K212 VanDerWaalsContact C-N 3.35Å; A210-K212 PolarHBondContact O-N 3.28Å; A210-A213 PolarHBondContact O-N 2.98Å; A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 VanDerWaalsContact O-CG 3.28Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.19Å
211I78.2Confident77.6Confident39 Ų3962.3 Ų62.320%0.233%0.332CS..Hα-helixtrans-52.3-52.6170.1-76.2167000110.6V192 L197 E207 A213 L214 R215V192-I211 HydrophobicContact CG1-CG1 4.34Å; V192-I211 HydrophobicContact CG2-CB 4.43Å; V192-I211 HydrophobicContact CG2-CG1 4.2Å; V192-I211 HydrophobicContact CG2-CG2 3.93Å; L197-I211 HydrophobicContact CD1-CG1 3.78Å; L197-I211 HydrophobicContact CD2-CD1 4.12Å; L197-I211 HydrophobicContact CD2-CG1 3.76Å; L197-I211 HydrophobicContact CG-CG1 4.42Å; E207-I211 HydrophobicContact CG-CD1 4.15Å; E207-I211 WeakPolarHBondContact O-CB 3.26Å; E207-I211 VanDerWaalsContact O-CG1 3.27Å; E207-I211 WeakPolarHBondContact O-CG1 3.28Å; E207-I211 PolarHBondContact O-N 2.98Å; I211-A213 PolarHBondContact O-N 3.29Å; I211-L214 PolarHBondContact O-N 3.24Å; I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 3.16Å
212K76.3Confident77.2Confident55 Ų5563.4 Ų63.424%0.23934%0.339CS..Hα-helixtrans-62.8-42.3-178.5-172.5167.6176.9172.60111.9S208 R209 A210 L216 W227 V237S208-K212 WeakPolarHBondContact O-CB 3.37Å; S208-K212 PolarHBondContact O-N 3.3Å; R209-K212 PolarHBondContact O-N 2.98Å; A210-K212 VanDerWaalsContact C-N 3.35Å; A210-K212 PolarHBondContact O-N 3.28Å; K212-L216 HydrophobicContact CG-CD1 4.28Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 VanDerWaalsContact O-CG 3.27Å; K212-L216 WeakPolarHBondContact O-CG 3.19Å; K212-L216 PolarHBondContact O-N 2.9Å; K212-L216 VanDerWaalsContact O-N 3.09Å; K212-W227 HydrophobicContact CG-CH2 4.36Å; K212-V237 HydrophobicContact CD-CG1 4Å; K212-V237 PolarHBondContact NZ-O 3.36Å
213A78.8Confident76.6Confident0 Ų059.9 Ų59.90%032%0.323CS..Hα-helixtrans-66-43.9176.800000112.7R209 A210 I211 L216 N217 A224 W227 L228R209-A213 WeakPolarHBondContact O-CB 3.39Å; R209-A213 PolarHBondContact O-N 3.15Å; A210-A213 PolarHBondContact O-N 2.98Å; I211-A213 PolarHBondContact O-N 3.29Å; A213-L216 PolarHBondContact O-N 2.97Å; A213-N217 WeakPolarHBondContact O-CB 3.35Å; A213-N217 PolarHBondContact O-N 3Å; A213-N217 PolarHBondContact O-ND2 2.88Å; A213-A224 HydrophobicContact CB-CB 3.89Å; A213-W227 HydrophobicContact CB-CD2 4.44Å; A213-W227 HydrophobicContact CB-CE3 3.52Å; A213-W227 HydrophobicContact CB-CZ3 3.99Å; A213-L228 HydrophobicContact CB-CD1 3.95Å; A213-L228 HydrophobicContact CB-CD2 4.01Å; A213-L228 HydrophobicContact CB-CG 3.59Å
214L78.3Confident76.5Confident0 Ų054.4 Ų54.40%030%0.296CS..Hα-helixtrans-63.6-44.6177.6-75.2167.8000111.7V192 A196 L197 L200 A210 I211 L216 N217 H218 M219 A224V192-L214 HydrophobicContact CG1-CB 4.35Å; V192-L214 HydrophobicContact CG1-CD1 3.81Å; A196-L214 HydrophobicContact CB-CD1 3.96Å; A196-L214 HydrophobicContact CB-CD2 3.75Å; L197-L214 HydrophobicContact CB-CD1 4.02Å; L197-L214 HydrophobicContact CD1-CD1 4.46Å; L200-L214 HydrophobicContact CD1-CD1 3.92Å; L200-L214 HydrophobicContact CD1-CD2 3.87Å; L200-L214 HydrophobicContact CD1-CG 3.67Å; A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 VanDerWaalsContact O-CG 3.28Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.19Å; I211-L214 PolarHBondContact O-N 3.24Å; L214-L216 PolarHBondContact O-N 3.29Å; L214-N217 CarbonylContact O-C 3.46Å; L214-N217 PolarHBondContact O-N 2.97Å; L214-H218 PolarHBondContact O-N 3.3Å; L214-M219 HydrophobicContact CB-SD 3.81Å; L214-M219 WeakPolarHBondContact O-CA 3.14Å; L214-M219 PolarHBondContact O-N 2.83Å; L214-A224 HydrophobicContact CD2-CB 3.75Å; L214-A224 HydrophobicContact CG-CB 4.04Å
215R71.5Confident76.4Confident88 Ų8854.1 Ų54.133%0.33228%0.278SS..Hα-helixtrans-60.3-43.4175.3-70.6174.4-176.3-170.3-0.7112.1E189 D190 V192 I211 N217E189-R215 PolarHBondContact O-NH1 3.23Å; E189-R215 PolarHBondContact O-NH2 2.96Å; D190-R215 PolarHBondContact O-NH2 3.37Å; V192-R215 HydrophobicContact CG2-CG 4.25Å; V192-R215 VanDerWaalsContact CG2-NE 3.34Å; I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 3.16Å; R215-N217 VanDerWaalsContact C-N 3.3Å; R215-N217 PolarHBondContact O-N 3.42Å
216L70.9Confident76.4Confident100 Ų10058.2 Ų58.252%0.52430%0.298SS..Hα-helixtrans-69.8-23.4177.9-72.5170.6000114K212 A213 L214 W227K212-L216 HydrophobicContact CG-CD1 4.28Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 VanDerWaalsContact O-CG 3.27Å; K212-L216 WeakPolarHBondContact O-CG 3.19Å; K212-L216 PolarHBondContact O-N 2.9Å; K212-L216 VanDerWaalsContact O-N 3.09Å; A213-L216 PolarHBondContact O-N 2.97Å; L214-L216 PolarHBondContact O-N 3.29Å; L216-W227 HydrophobicContact CD1-CD2 4.38Å; L216-W227 HydrophobicContact CD1-CH2 3.85Å; L216-W227 HydrophobicContact CD1-CZ2 3.39Å; L216-W227 HydrophobicContact CD1-CZ3 4.49Å
217N71.1Confident76.3Confident27 Ų2757.1 Ų57.114%0.14429%0.285CS..THydrogen-bonded Turntrans-118.337.6-173.9-65.6-88000112.6A213 L214 R215 M219 S220 Q223 A224 W227A213-N217 WeakPolarHBondContact O-CB 3.35Å; A213-N217 PolarHBondContact O-N 3Å; A213-N217 PolarHBondContact O-ND2 2.88Å; L214-N217 CarbonylContact O-C 3.46Å; L214-N217 PolarHBondContact O-N 2.97Å; R215-N217 VanDerWaalsContact C-N 3.3Å; R215-N217 PolarHBondContact O-N 3.42Å; N217-M219 VanDerWaalsContact C-N 3.25Å; N217-M219 PolarHBondContact O-N 2.83Å; N217-M219 VanDerWaalsContact O-N 3.11Å; N217-S220 VanDerWaalsContact O-CB 3.29Å; N217-S220 WeakPolarHBondContact O-CB 3.26Å; N217-S220 PolarHBondContact O-N 2.66Å; N217-Q223 HydrophobicContact CB-CB 3.69Å; N217-A224 HydrophobicContact CB-CB 4.3Å; N217-W227 VanDerWaalsContact ND2-CB 3.35Å; N217-W227 WeakPolarHBondContact ND2-CB 3.5Å
218H65.3Low76.3Confident171 Ų17151.5 Ų51.579%0.79226%0.259SS*.THydrogen-bonded Turntrans49.141.9173.8-58.4-61.8000114.4L214 S220L214-H218 PolarHBondContact O-N 3.3Å; H218-S220 PolarHBondContact O-N 2.96Å; H218-S220 VanDerWaalsContact O-N 3.11Å
219M67.1Low76.3Confident61 Ų6152.7 Ų52.730%0.326%0.259SS..THydrogen-bonded Turntrans6210-177.8-134.96365.900115.6R191 V192 D193 L214 N217 V221R191-M219 WeakPolarHBondContact O-CE 3.22Å; V192-M219 HydrophobicContact CB-SD 4.44Å; V192-M219 HydrophobicContact CG1-SD 3.97Å; D193-M219 HydrophobicContact CB-CG 3.41Å; D193-M219 VanDerWaalsContact CB-CG 3.41Å; D193-M219 HydrophobicContact CB-SD 4.06Å; D193-M219 PolarHBondContact N-SD 3.35Å; L214-M219 HydrophobicContact CB-SD 3.81Å; L214-M219 WeakPolarHBondContact O-CA 3.14Å; L214-M219 PolarHBondContact O-N 2.83Å; N217-M219 VanDerWaalsContact C-N 3.25Å; N217-M219 PolarHBondContact O-N 2.83Å; N217-M219 VanDerWaalsContact O-N 3.11Å; M219-V221 PolarHBondContact O-N 3.42Å
220S70.1Confident76.2Confident38 Ų3858.8 Ų58.827%0.26629%0.288SS..  trans-79.6109.9179.8-172.80000111.3N217 H218 T222 Q223 A224N217-S220 VanDerWaalsContact O-CB 3.29Å; N217-S220 WeakPolarHBondContact O-CB 3.26Å; N217-S220 PolarHBondContact O-N 2.66Å; H218-S220 PolarHBondContact O-N 2.96Å; H218-S220 VanDerWaalsContact O-N 3.11Å; S220-T222 PolarHBondContact O-N 2.84Å; S220-Q223 PolarHBondContact O-N 3.4Å; S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.43Å; S220-A224 PolarHBondContact O-N 3.35Å
221V75.3Confident75.8Confident33 Ų3361.7 Ų61.720%0.230%0.301CS..Hα-helixtrans-50.3-41.8177.4178.90000112.1A196 Q199 L200 M219 M225A196-V221 HydrophobicContact CB-CG2 3.48Å; A196-V221 VanDerWaalsContact CB-CG2 3.48Å; Q199-V221 HydrophobicContact CB-CG1 4.35Å; L200-V221 HydrophobicContact CD2-CG1 4.01Å; L200-V221 HydrophobicContact CG-CG1 4.29Å; M219-V221 PolarHBondContact O-N 3.42Å; V221-M225 VanDerWaalsContact O-CB 3.27Å; V221-M225 WeakPolarHBondContact O-CB 3.4Å; V221-M225 PolarHBondContact O-N 2.63Å
222T76.2Confident75.3Confident83 Ų8363.2 Ų63.251%0.50931%0.312SS..Hα-helixtrans-67.3-47.1-177-46.60000112.3S220 M225 E226S220-T222 PolarHBondContact O-N 2.84Å; T222-M225 PolarHBondContact O-N 3.45Å; T222-E226 PolarHBondContact O-N 3.17Å
223Q74.8Confident74.5Confident69 Ų6967.9 Ų67.932%0.32234%0.34SS..Hα-helixtrans-72.2-37.9179.7-65174.110.600111.1N217 S220 M225 E226 W227N217-Q223 HydrophobicContact CB-CB 3.69Å; S220-Q223 PolarHBondContact O-N 3.4Å; Q223-M225 VanDerWaalsContact C-N 3.34Å; Q223-M225 PolarHBondContact O-N 2.9Å; Q223-E226 PolarHBondContact O-N 3.11Å; Q223-W227 WeakPolarHBondContact O-CB 3.23Å; Q223-W227 PolarHBondContact O-N 2.94Å
224A78.7Confident73.7Confident0 Ų071 Ų710%036%0.357CS..Hα-helixtrans-61.5-40.1172.800000112L200 A213 L214 N217 S220 L228L200-A224 HydrophobicContact CD1-CB 3.87Å; A213-A224 HydrophobicContact CB-CB 3.89Å; L214-A224 HydrophobicContact CD2-CB 3.75Å; L214-A224 HydrophobicContact CG-CB 4.04Å; N217-A224 HydrophobicContact CB-CB 4.3Å; S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.43Å; S220-A224 PolarHBondContact O-N 3.35Å; A224-L228 VanDerWaalsContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CB 3.42Å; A224-L228 WeakPolarHBondContact O-CD1 3.18Å; A224-L228 WeakPolarHBondContact O-CG 3.45Å; A224-L228 PolarHBondContact O-N 3.44Å
225M80.6Confident72.6Confident57 Ų5775.9 Ų75.928%0.28139%0.389SS..Hα-helixtrans-64.3-42.6173.5-171.9-162.475.200111.9L200 M203 F205 V221 T222 Q223 L228 I229L200-M225 HydrophobicContact CD2-CB 3.96Å; L200-M225 HydrophobicContact CD2-CG 4.5Å; M203-M225 HydrophobicContact CE-CG 4.35Å; M203-M225 HydrophobicContact CE-SD 3.6Å; M203-M225 VanDerWaalsContact CE-SD 3.6Å; M203-M225 HydrophobicContact SD-SD 4.29Å; F205-M225 HydrophobicContact CE2-CG 4.14Å; F205-M225 HydrophobicContact CZ-CG 4.44Å; V221-M225 VanDerWaalsContact O-CB 3.27Å; V221-M225 WeakPolarHBondContact O-CB 3.4Å; V221-M225 PolarHBondContact O-N 2.63Å; T222-M225 PolarHBondContact O-N 3.45Å; Q223-M225 VanDerWaalsContact C-N 3.34Å; Q223-M225 PolarHBondContact O-N 2.9Å; M225-L228 WeakPolarHBondContact O-CB 3.46Å; M225-L228 PolarHBondContact O-N 3.06Å; M225-I229 HydrophobicContact CE-CD1 4.06Å; M225-I229 HydrophobicContact CG-CD1 3.99Å; M225-I229 WeakPolarHBondContact O-CD1 3.35Å; M225-I229 VanDerWaalsContact O-CG1 3.26Å; M225-I229 WeakPolarHBondContact O-CG1 3.29Å; M225-I229 PolarHBondContact O-N 2.83Å; M225-I229 HydrophobicContact SD-CD1 4.47Å
226E81.8Confident71.9Confident121 Ų12176.1 Ų76.157%0.56540%0.4SS*.Hα-helixtrans-61.8-48.4176.8-168.6159-140.800110.9T222 Q223 L228 I229 E230T222-E226 PolarHBondContact O-N 3.17Å; Q223-E226 PolarHBondContact O-N 3.11Å; E226-L228 PolarHBondContact O-N 3.44Å; E226-I229 PolarHBondContact O-N 2.99Å; E226-I229 VanDerWaalsContact O-N 3.14Å; E226-E230 PolarHBondContact O-N 2.95Å
227W82.6Confident71.1Confident42 Ų4271.9 Ų71.916%0.15938%0.378CS..Hα-helixtrans-59.8-40.7174-172.289.4000113K212 A213 L216 N217 Q223 I229 E230 H231 V237K212-W227 HydrophobicContact CG-CH2 4.36Å; A213-W227 HydrophobicContact CB-CD2 4.44Å; A213-W227 HydrophobicContact CB-CE3 3.52Å; A213-W227 HydrophobicContact CB-CZ3 3.99Å; L216-W227 HydrophobicContact CD1-CD2 4.38Å; L216-W227 HydrophobicContact CD1-CH2 3.85Å; L216-W227 HydrophobicContact CD1-CZ2 3.39Å; L216-W227 HydrophobicContact CD1-CZ3 4.49Å; N217-W227 VanDerWaalsContact ND2-CB 3.35Å; N217-W227 WeakPolarHBondContact ND2-CB 3.5Å; Q223-W227 WeakPolarHBondContact O-CB 3.23Å; Q223-W227 PolarHBondContact O-N 2.94Å; W227-I229 VanDerWaalsContact C-N 3.31Å; W227-I229 PolarHBondContact O-N 2.8Å; W227-E230 PolarHBondContact O-N 3.29Å; W227-H231 AromaticContact CD1-CE1 3.61Å; W227-H231 AromaticContact CD1-ND1 3.7Å; W227-H231 AromaticContact CD2-ND1 3.74Å; W227-H231 AromaticContact CE2-CE1 3.72Å; W227-H231 AromaticContact CE2-CG 3.87Å; W227-H231 AromaticContact CE2-ND1 3.54Å; W227-H231 AromaticContact CG-ND1 3.85Å; W227-H231 HydrophobicContact CH2-CB 4.35Å; W227-H231 HydrophobicContact CZ2-CB 4.43Å; W227-H231 AromaticContact CZ2-CG 3.92Å; W227-H231 HydrophobicContact CZ3-CB 4.4Å; W227-H231 AromaticContact NE1-CE1 3.27Å; W227-H231 PolarHBondContact NE1-CE1 3.33Å; W227-H231 VanDerWaalsContact NE1-CE1 3.27Å; W227-H231 AromaticContact NE1-ND1 3.51Å; W227-H231 AromaticContact NE1-NE2 3.8Å; W227-H231 WeakPolarHBondContact O-CB 3.38Å; W227-H231 PolarHBondContact O-N 2.87Å; W227-H231 PolarHBondContact O-ND1 3.32Å; W227-V237 HydrophobicContact CH2-CG1 3.85Å; W227-V237 HydrophobicContact CZ3-CG1 4.25Å
228L81.7Confident70.2Confident0 Ų073.9 Ų73.90%039%0.389CS..Hα-helixtrans-62-37.1175.1-81163.8000112.6L200 F205 R209 A213 A224 M225 E226 H231 V232L200-L228 HydrophobicContact CD1-CD1 3.98Å; L200-L228 HydrophobicContact CD2-CD1 4.08Å; L200-L228 HydrophobicContact CG-CD1 4.46Å; F205-L228 HydrophobicContact CB-CD1 4.11Å; F205-L228 HydrophobicContact CD1-CB 4.01Å; F205-L228 HydrophobicContact CD1-CD1 4.07Å; F205-L228 HydrophobicContact CD1-CD2 4.15Å; F205-L228 HydrophobicContact CD1-CG 4.31Å; F205-L228 HydrophobicContact CD2-CD1 3.98Å; F205-L228 HydrophobicContact CE1-CB 3.8Å; F205-L228 HydrophobicContact CE1-CD1 4.49Å; F205-L228 HydrophobicContact CE2-CD1 4.4Å; F205-L228 HydrophobicContact CG-CD1 3.79Å; F205-L228 HydrophobicContact CG-CD2 4.48Å; F205-L228 HydrophobicContact CZ-CB 4.18Å; R209-L228 HydrophobicContact CB-CD2 3.95Å; R209-L228 HydrophobicContact CG-CD2 3.54Å; A213-L228 HydrophobicContact CB-CD1 3.95Å; A213-L228 HydrophobicContact CB-CD2 4.01Å; A213-L228 HydrophobicContact CB-CG 3.59Å; A224-L228 VanDerWaalsContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CB 3.42Å; A224-L228 WeakPolarHBondContact O-CD1 3.18Å; A224-L228 WeakPolarHBondContact O-CG 3.45Å; A224-L228 PolarHBondContact O-N 3.44Å; M225-L228 WeakPolarHBondContact O-CB 3.46Å; M225-L228 PolarHBondContact O-N 3.06Å; E226-L228 PolarHBondContact O-N 3.44Å; L228-H231 CarbonylContact O-C 3.45Å; L228-V232 WeakPolarHBondContact O-CA 3.37Å; L228-V232 WeakPolarHBondContact O-CG2 3.2Å; L228-V232 PolarHBondContact O-N 2.93Å; L228-V232 VanDerWaalsContact O-N 3.11Å
229I80Confident69.5Low99 Ų9970.1 Ų70.151%0.50838%0.378SS..Hα-helixtrans-73.4-40.9178.1-69.4164000110.6F205 M225 E226 W227 H231F205-I229 HydrophobicContact CZ-CG1 4.19Å; M225-I229 HydrophobicContact CE-CD1 4.06Å; M225-I229 HydrophobicContact CG-CD1 3.99Å; M225-I229 WeakPolarHBondContact O-CD1 3.35Å; M225-I229 VanDerWaalsContact O-CG1 3.26Å; M225-I229 WeakPolarHBondContact O-CG1 3.29Å; M225-I229 PolarHBondContact O-N 2.83Å; M225-I229 HydrophobicContact SD-CD1 4.47Å; E226-I229 PolarHBondContact O-N 2.99Å; E226-I229 VanDerWaalsContact O-N 3.14Å; W227-I229 VanDerWaalsContact C-N 3.31Å; W227-I229 PolarHBondContact O-N 2.8Å; I229-H231 VanDerWaalsContact C-N 3.3Å; I229-H231 PolarHBondContact O-N 3.12Å
230E79.3Confident68.6Low151 Ų15172.1 Ų72.171%0.70640%0.395SS*.Hα-helixtrans-63.5-35.2173.5-70-170.514700112.6E226 W227E226-E230 PolarHBondContact O-N 2.95Å; W227-E230 PolarHBondContact O-N 3.29Å
231H74.2Confident67.6Low61 Ų6175.7 Ų75.728%0.28241%0.411SS..THydrogen-bonded Turntrans-105.529.2-177.3-58.675.7000112.6R209 W227 L228 I229R209-H231 PolarHBondContact NH1-O 2.9Å; W227-H231 AromaticContact CD1-CE1 3.61Å; W227-H231 AromaticContact CD1-ND1 3.7Å; W227-H231 AromaticContact CD2-ND1 3.74Å; W227-H231 AromaticContact CE2-CE1 3.72Å; W227-H231 AromaticContact CE2-CG 3.87Å; W227-H231 AromaticContact CE2-ND1 3.54Å; W227-H231 AromaticContact CG-ND1 3.85Å; W227-H231 HydrophobicContact CH2-CB 4.35Å; W227-H231 HydrophobicContact CZ2-CB 4.43Å; W227-H231 AromaticContact CZ2-CG 3.92Å; W227-H231 HydrophobicContact CZ3-CB 4.4Å; W227-H231 AromaticContact NE1-CE1 3.27Å; W227-H231 PolarHBondContact NE1-CE1 3.33Å; W227-H231 VanDerWaalsContact NE1-CE1 3.27Å; W227-H231 AromaticContact NE1-ND1 3.51Å; W227-H231 AromaticContact NE1-NE2 3.8Å; W227-H231 WeakPolarHBondContact O-CB 3.38Å; W227-H231 PolarHBondContact O-N 2.87Å; W227-H231 PolarHBondContact O-ND1 3.32Å; L228-H231 CarbonylContact O-C 3.45Å; I229-H231 VanDerWaalsContact C-N 3.3Å; I229-H231 PolarHBondContact O-N 3.12Å
232V66.9Low66Low71 Ų7180.6 Ų80.643%0.4344%0.443SS..THydrogen-bonded Turntrans-66.7-38.2-179.3117.90000111.9R209 L228R209-V232 PolarHBondContact NH1-O 3.45Å; L228-V232 WeakPolarHBondContact O-CA 3.37Å; L228-V232 WeakPolarHBondContact O-CG2 3.2Å; L228-V232 PolarHBondContact O-N 2.93Å; L228-V232 VanDerWaalsContact O-N 3.11Å
233D59.8Low64.7Low154 Ų15480 Ų8082%0.82445%0.453SS*.THydrogen-bonded Turntrans-94.73.4-169.8-75.7-38.4000115.1P235D233-P235 WeakPolarHBondContact O-CD 3.14Å
234D61.2Low63Low65 Ų6583.9 Ų83.935%0.34847%0.472SS..  trans-95.3104.6-179.7-173.5-15.7000112T236 V237D234-T236 VanDerWaalsContact CG-OG1 3.3Å; D234-T236 PolarHBondContact O-N 3.45Å; D234-T236 WeakPolarHBondContact OD1-CA 3.09Å; D234-T236 VanDerWaalsContact OD1-CB 3.31Å; D234-T236 WeakPolarHBondContact OD1-CB 3.43Å; D234-T236 PolarHBondContact OD1-N 3.01Å; D234-T236 PolarHBondContact OD1-OG1 2.98Å; D234-T236 PolarHBondContact OD2-OG1 3.05Å; D234-V237 HydrophobicContact CB-CG2 3.78Å; D234-V237 WeakPolarHBondContact O-CB 3.3Å; D234-V237 WeakPolarHBondContact O-CG2 3.44Å; D234-V237 PolarHBondContact O-N 3.23Å
235P55.3Low60.9Low103 Ų10391.8 Ų91.867%0.66951%0.514SS*.THydrogen-bonded Turntrans-73.4-5.2-179.232.8-37.4000114D233 V237D233-P235 WeakPolarHBondContact O-CD 3.14Å; P235-V237 VanDerWaalsContact C-N 3.31Å
236T57.2Low58.7Low92 Ų9294.9 Ų94.956%0.56454%0.536SS*.THydrogen-bonded Turntrans-79.2-17.5171.372.90000112D234 D238 T239D234-T236 VanDerWaalsContact CG-OG1 3.3Å; D234-T236 PolarHBondContact O-N 3.45Å; D234-T236 WeakPolarHBondContact OD1-CA 3.09Å; D234-T236 VanDerWaalsContact OD1-CB 3.31Å; D234-T236 WeakPolarHBondContact OD1-CB 3.43Å; D234-T236 PolarHBondContact OD1-N 3.01Å; D234-T236 PolarHBondContact OD1-OG1 2.98Å; D234-T236 PolarHBondContact OD2-OG1 3.05Å; T236-D238 VanDerWaalsContact C-N 3.26Å; T236-D238 PolarHBondContact O-N 2.98Å; T236-T239 PolarHBondContact O-N 3.28Å; T236-T239 PolarHBondContact O-OG1 2.99Å; T236-T239 VanDerWaalsContact O-OG1 3.07Å
237V53.6Low57Low11 Ų1195.6 Ų95.67%0.06755%0.551CS.*THydrogen-bonded Turntrans-67.6-30.1179.7-177.40000111.6R209 K212 W227 D234 P235 T239R209-V237 HydrophobicContact CG-CG1 3.78Å; K212-V237 HydrophobicContact CD-CG1 4Å; K212-V237 PolarHBondContact NZ-O 3.36Å; W227-V237 HydrophobicContact CH2-CG1 3.85Å; W227-V237 HydrophobicContact CZ3-CG1 4.25Å; D234-V237 HydrophobicContact CB-CG2 3.78Å; D234-V237 WeakPolarHBondContact O-CB 3.3Å; D234-V237 WeakPolarHBondContact O-CG2 3.44Å; D234-V237 PolarHBondContact O-N 3.23Å; P235-V237 VanDerWaalsContact C-N 3.31Å; V237-T239 VanDerWaalsContact C-N 3.34Å; V237-T239 PolarHBondContact O-N 3.01Å
238D52.6Low54.5Low69 Ų6997.1 Ų97.137%0.36958%0.58SS.*THydrogen-bonded Turntrans-80.9-3.1-176.5-62.4-31000114.7R209 T236R209-D238 IonicContact CZ-OD1 3.28Å; R209-D238 VanDerWaalsContact CZ-OD1 3.28Å; R209-D238 IonicContact CZ-OD2 3.78Å; R209-D238 IonicContact NE-OD1 2.81Å; R209-D238 PolarHBondContact NE-OD1 3.42Å; R209-D238 IonicContact NH2-OD1 2.98Å; R209-D238 PolarHBondContact NH2-OD1 3.47Å; R209-D238 IonicContact NH2-OD2 2.74Å; R209-D238 PolarHBondContact NH2-OD2 3.29Å; T236-D238 VanDerWaalsContact C-N 3.26Å; T236-D238 PolarHBondContact O-N 2.98Å
239T50.4Low52.2Low92 Ų92101.7 Ų101.756%0.56462%0.618SS**SBendtrans-70.1125.7169.558.20000109.7T236 V237T236-T239 PolarHBondContact O-N 3.28Å; T236-T239 PolarHBondContact O-OG1 2.99Å; T236-T239 VanDerWaalsContact O-OG1 3.07Å; V237-T239 VanDerWaalsContact C-N 3.34Å; V237-T239 PolarHBondContact O-N 3.01Å
240P48.8Very low49.8Very low103 Ų103104.5 Ų104.567%0.66964%0.639SS**PPolyproline II helixtrans-62.8148.5175.527.6-34.5000110.5
241L49.4Very low47.3Very low114 Ų114101 Ų10160%0.59764%0.644SS**PPolyproline II helixtrans-64.6143.1174.6-68.9170.2000110G243L241-G243 PolarHBondContact O-N 3.26Å
242P40.7Very low45.1Very low135 Ų135102.3 Ų102.388%0.87767%0.666SS**THydrogen-bonded Turntrans-72.394.8-173.629-35000111.5
243G48.7Very low43.3Very low70 Ų70106.1 Ų106.172%0.72269%0.689SS**THydrogen-bonded Turntrans175.9-22.2174.800000115.9L241 D245L241-G243 PolarHBondContact O-N 3.26Å; G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 3.28Å
244Q38.6Very low41.8Very low152 Ų152103.2 Ų103.271%0.7169%0.686SS**  trans-85.157.3-168.2-155.2175.639.300115T246Q244-T246 PolarHBondContact O-N 2.87Å
245D35.7Very low41.2Very low166 Ų166105.8 Ų105.889%0.88871%0.707SS**  trans-77.696.2174.2-88.7-30.3000111.8G243G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 3.28Å
246T35.1Very low40.6Very low121 Ų121106 Ų10674%0.74271%0.708SS**  trans-92132.8171.357.80000112.2Q244Q244-T246 PolarHBondContact O-N 2.87Å
247P46.2Very low39.3Very low136 Ų136109.3 Ų109.388%0.88372%0.722SS**  trans-86.6114.2-172.531.7-34.2000113.5
248G30.3Very low38.2Very low74 Ų74115.2 Ų115.276%0.76376%0.757SS**  trans-146.630.1-167.200000119.6
249A31.3Very low37Very low96 Ų96120 Ų12079%0.79378%0.777SS**  trans41.7105.6158.900000122
250V29.6Very low36.1Very low158 Ų158121.5 Ų121.596%0.95879%0.791SS**  -167.9155.7122.8-94.30000110.6
251G28.2Very low35.3Very low78 Ų78123.9 Ų123.980%0.80480%0.797SS**  cis168.1-6.9-10.700000119.8
252A28.5Very low34.4Very low89 Ų89124.4 Ų124.474%0.73681%0.81SS**  trans-131.6125.6-166.800000117.7
253T27.5Very low33.9Very low150 Ų150122.6 Ų122.692%0.9281%0.807SS**  trans62.9147.3155.757.20000121.3
254A29.4Very low33Very low93 Ų93124.7 Ų124.777%0.76981%0.81SS**  trans-166.5-179.7-169.500000111.4
255P47.5Very low32.7Very low120 Ų120121.4 Ų121.478%0.77981%0.809SS**  cis-110.9-103.8-22.232.2-11.3000109
256P42.8Very low32.4Very low108 Ų108123.5 Ų123.570%0.70181%0.811SS**  cis-122.3136-14.938-20.4000116.7
257L30.6Very low32.5Very low161 Ų161127.9 Ų127.984%0.84381%0.814SS**  trans34.8121.9139.4-55.6172.1000121.9
258V30.5Very low32.1Very low135 Ų135127.7 Ų127.782%0.81881%0.813SS**  -161.4143.3101.9-93.10000114
259H27.9Very low32.2Very low169 Ų169129.2 Ų129.278%0.78281%0.812SS**  trans-9.9135.1167-51.394.1000121.9
260S31.5Very low32.5Very low124 Ų124132.5 Ų132.587%0.86782%0.815SS**  -160159.1102.553.10000111
261I31.1Very low32.9Very low152 Ų152132.8 Ų132.878%0.77981%0.81SS**  trans-132.6126.6-170.6-55.3169.3000109.7
262S32Very low33.2Very low126 Ų126141.1 Ų141.188%0.88182%0.817SS**  trans-164.1110.1157.8-82.70000110.3
263A29.3Very low33.6Very low97 Ų97142 Ų14280%0.80281%0.813SS**  trans-108.2111.8175.500000110.1A265A263-A265 PolarHBondContact O-N 2.86Å
264S30.1Very low34.5Very low113 Ų113142.8 Ų142.879%0.7981%0.811SS**  trans-92.284.7170.954.20000110.1F266S264-F266 PolarHBondContact O-N 3.34Å
265A30.9Very low34.8Very low84 Ų84143.4 Ų143.469%0.69481%0.81SS**  trans-74.7107.5-178.900000112.1A263 R267A263-A265 PolarHBondContact O-N 2.86Å; A265-R267 PolarHBondContact O-N 2.94Å
266F31.1Very low34.3Very low210 Ų210145.1 Ų145.192%0.92181%0.808SS**  trans-72.9102.7165-96.8-90.7000110S264S264-F266 PolarHBondContact O-N 3.34Å
267R35.5Very low34.2Very low212 Ų212145.7 Ų145.780%0.881%0.809SS**  trans-104.3125.4166.5-77.8-176167.7-156.5-2.5110A265 S269A265-R267 PolarHBondContact O-N 2.94Å; R267-S269 PolarHBondContact O-N 2.86Å
268P39.7Very low34.7Very low133 Ų133144 Ų14486%0.86481%0.811SS**  trans-77.7109.4155.3-1.319.6000108.3
269S31.7Very low35.4Very low106 Ų106141.4 Ų141.474%0.74180%0.796SS**  trans-89.1128.2170.9-73.70000110.5R267R267-S269 PolarHBondContact O-N 2.86Å
270L37.6Very low36.3Very low164 Ų164139.3 Ų139.386%0.85979%0.79SS**  trans-68.6171.5167.5-76.9167.1000112
271L38.2Very low37.1Very low164 Ų164140.6 Ų140.686%0.85979%0.787SS**  trans74.598.3171.6-66.1161.9000117.6
272R33.8Very low38.1Very low253 Ų253136.9 Ų136.996%0.95578%0.779SS**  trans-137.9145.4130.9-164165-172.71464.8110.8
273T36.4Very low39.4Very low107 Ų107134.1 Ų134.166%0.65676%0.757SS**  trans-107.9135.1-156.2-520000113.6
274L47.4Very low40.7Very low167 Ų167133.2 Ų133.287%0.87474%0.742SS**  trans38.6116.1155.8-61.6170000120.3
275S35.7Very low42.2Very low106 Ų106129.3 Ų129.374%0.74172%0.719SS**  trans-161.5154.5131.9-153.50000110.8
276Q36.7Very low43.7Very low156 Ų156127.8 Ų127.873%0.72971%0.706SS**  trans62.288.7177.1-58.6165.680.500114.1
277T40.9Very low45.3Very low121 Ų121123.5 Ų123.574%0.74268%0.684SS**  52.7125.378.172.20000114.6
278S40.5Very low46.6Very low125 Ų125117.2 Ų117.287%0.87466%0.663SS**SBendtrans8526.7173.9-51.50000118.2
279T46.5Very low48Very low81 Ų81115.9 Ų115.950%0.49765%0.649SS.*  trans-127.2-9.7178.552.10000116.8D281 A282 V283T279-D281 PolarHBondContact O-N 3.42Å; T279-A282 PolarHBondContact O-N 3.03Å; T279-V283 PolarHBondContact O-N 2.81Å
280D46.2Very low50Low125 Ų125115 Ų11567%0.66863%0.633SS**Hα-helixtrans-65.3-38.7-173.9-70.1-51000113.6A282 V283 T284D280-A282 VanDerWaalsContact C-N 3.26Å; D280-A282 PolarHBondContact O-N 3.25Å; D280-V283 PolarHBondContact O-N 3.13Å; D280-T284 VanDerWaalsContact O-CB 3.24Å; D280-T284 WeakPolarHBondContact O-CB 3.46Å; D280-T284 PolarHBondContact O-N 2.94Å; D280-T284 PolarHBondContact O-OG1 3.01Å
281D48.3Very low51.4Low151 Ų151107.4 Ų107.481%0.80759%0.594SS**Hα-helixtrans-62.5-33.2176.3-70.1-42.3000112.3T279 G285T279-D281 PolarHBondContact O-N 3.42Å; D281-G285 WeakPolarHBondContact O-CA 3.5Å; D281-G285 PolarHBondContact O-N 2.9Å
282A52.8Low53Low73 Ų73102.2 Ų102.260%0.60357%0.569SS**Hα-helixtrans-74.9-39.8179.400000112T279 D280 A286T279-A282 PolarHBondContact O-N 3.03Å; D280-A282 VanDerWaalsContact C-N 3.26Å; D280-A282 PolarHBondContact O-N 3.25Å; A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.98Å
283V57.9Low54.9Low69 Ų6993.7 Ų93.742%0.41854%0.54SS..Hα-helixtrans-72.5-39176.2176.90000111.1T279 D280 R287T279-V283 PolarHBondContact O-N 2.81Å; D280-V283 PolarHBondContact O-N 3.13Å; V283-R287 WeakPolarHBondContact O-CB 3.47Å; V283-R287 WeakPolarHBondContact O-CG 3.31Å; V283-R287 PolarHBondContact O-N 2.88Å
284T57.7Low56.5Low78 Ų7890.1 Ų90.148%0.47952%0.517SS..Hα-helixtrans-68.5-42.4175.9-520000110.6D280 R287 Q288D280-T284 VanDerWaalsContact O-CB 3.24Å; D280-T284 WeakPolarHBondContact O-CB 3.46Å; D280-T284 PolarHBondContact O-N 2.94Å; D280-T284 PolarHBondContact O-OG1 3.01Å; T284-R287 PolarHBondContact O-N 3.33Å; T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.12Å
285G60.4Low57.7Low30 Ų3083.3 Ų83.331%0.30948%0.48SS..Hα-helixtrans-58.1-50.4172.500000112.4D281 R287 Q288 D289D281-G285 WeakPolarHBondContact O-CA 3.5Å; D281-G285 PolarHBondContact O-N 2.9Å; G285-R287 VanDerWaalsContact C-N 3.31Å; G285-R287 PolarHBondContact O-N 3.33Å; G285-Q288 CarbonylContact O-C 3.56Å; G285-Q288 PolarHBondContact O-N 3.08Å; G285-Q288 VanDerWaalsContact O-N 3.08Å; G285-D289 PolarHBondContact O-N 2.81Å
286A62.6Low59.2Low52 Ų5282.6 Ų82.643%0.4346%0.463SS..Hα-helixtrans-60.1-37.3177.200000113.2A282 D289 E290A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.98Å; A286-D289 PolarHBondContact O-N 3.3Å; A286-E290 PolarHBondContact O-N 3.25Å
287R64.3Low60.5Low120 Ų12082.7 Ų82.745%0.45346%0.457SS..Hα-helixtrans-68.5-38.7173-76170.7170.6173.5-9.3112.5V174 V283 T284 G285 D289 E290 L291V174-R287 HydrophobicContact CG2-CB 4.48Å; V283-R287 WeakPolarHBondContact O-CB 3.47Å; V283-R287 WeakPolarHBondContact O-CG 3.31Å; V283-R287 PolarHBondContact O-N 2.88Å; T284-R287 PolarHBondContact O-N 3.33Å; G285-R287 VanDerWaalsContact C-N 3.31Å; G285-R287 PolarHBondContact O-N 3.33Å; R287-D289 VanDerWaalsContact C-N 3.32Å; R287-E290 PolarHBondContact O-N 3.48Å; R287-L291 WeakPolarHBondContact O-CG 3.41Å; R287-L291 PolarHBondContact O-N 2.87Å
288Q62.9Low61.5Low80 Ų8077.4 Ų77.437%0.37442%0.424SS..Hα-helixtrans-68.6-34175.7-152.670.41.900111.4A168 T284 G285 T292A168-Q288 PolarHBondContact O-NE2 3.47Å; T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.12Å; G285-Q288 CarbonylContact O-C 3.56Å; G285-Q288 PolarHBondContact O-N 3.08Å; G285-Q288 VanDerWaalsContact O-N 3.08Å; Q288-T292 VanDerWaalsContact O-CB 3.22Å; Q288-T292 WeakPolarHBondContact O-CB 3.37Å; Q288-T292 PolarHBondContact O-N 2.78Å; Q288-T292 PolarHBondContact O-OG1 3.26Å
289D69.8Low62.4Low106 Ų10680.2 Ų80.257%0.56742%0.416SS*.Hα-helixtrans-68.4-42.5170.7-78.6-36.1000111.5G285 A286 R287 T292 E293G285-D289 PolarHBondContact O-N 2.81Å; A286-D289 PolarHBondContact O-N 3.3Å; R287-D289 VanDerWaalsContact C-N 3.32Å; D289-T292 CarbonylContact O-C 3.58Å; D289-T292 PolarHBondContact O-N 2.85Å; D289-E293 VanDerWaalsContact O-CB 3.26Å; D289-E293 WeakPolarHBondContact O-CB 3.4Å; D289-E293 PolarHBondContact O-N 3.43Å
290E73Confident62.9Low87 Ų8784.5 Ų84.541%0.40742%0.423SS..Hα-helixtrans-57.8-48.1170.8-88.1-169.9-122.500111.6V174 K178 A286 R287 T292 E293 I294V174-E290 HydrophobicContact CG2-CB 4.47Å; K178-E290 IonicContact NZ-OE2 2.8Å; K178-E290 PolarHBondContact NZ-OE2 2.8Å; A286-E290 PolarHBondContact O-N 3.25Å; R287-E290 PolarHBondContact O-N 3.48Å; E290-T292 VanDerWaalsContact C-N 3.35Å; E290-T292 PolarHBondContact O-N 3.39Å; E290-E293 PolarHBondContact O-N 3.43Å; E290-I294 WeakPolarHBondContact O-CB 3.4Å; E290-I294 VanDerWaalsContact O-CG1 3.26Å; E290-I294 WeakPolarHBondContact O-CG1 3.3Å; E290-I294 PolarHBondContact O-N 3.37Å
291L68.3Low63.2Low5 Ų584 Ų843%0.02641%0.414CS..Hα-helixtrans-60.6-43.2174.6-74.8176.4000111.7A173 V174 F177 R287 E293 I294 F295A173-L291 HydrophobicContact CB-CD1 4.21Å; A173-L291 HydrophobicContact CB-CD2 3.9Å; V174-L291 HydrophobicContact CB-CD2 4.47Å; V174-L291 HydrophobicContact CG2-CD1 4.28Å; V174-L291 HydrophobicContact CG2-CD2 3.63Å; V174-L291 HydrophobicContact CG2-CG 3.56Å; F177-L291 HydrophobicContact CD2-CD2 4.05Å; F177-L291 HydrophobicContact CE2-CD2 4.33Å; R287-L291 WeakPolarHBondContact O-CG 3.41Å; R287-L291 PolarHBondContact O-N 2.87Å; L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 3.3Å; L291-I294 PolarHBondContact O-N 3.19Å; L291-F295 HydrophobicContact CB-CD2 4.36Å; L291-F295 HydrophobicContact CB-CE2 4.04Å; L291-F295 WeakPolarHBondContact O-CB 3.21Å; L291-F295 WeakPolarHBondContact O-CD2 3.43Å; L291-F295 VanDerWaalsContact O-CG 3.23Å; L291-F295 WeakPolarHBondContact O-CG 3.36Å; L291-F295 PolarHBondContact O-N 2.89Å
292T70.5Confident63.6Low55 Ų5579.1 Ų79.134%0.33739%0.385SS..Hα-helixtrans-66.6-33.8178.7-58.60000111.1Q288 D289 E290 K296Q288-T292 VanDerWaalsContact O-CB 3.22Å; Q288-T292 WeakPolarHBondContact O-CB 3.37Å; Q288-T292 PolarHBondContact O-N 2.78Å; Q288-T292 PolarHBondContact O-OG1 3.26Å; D289-T292 CarbonylContact O-C 3.58Å; D289-T292 PolarHBondContact O-N 2.85Å; E290-T292 VanDerWaalsContact C-N 3.35Å; E290-T292 PolarHBondContact O-N 3.39Å; T292-K296 HydrophobicContact CG2-CD 4.41Å; T292-K296 WeakPolarHBondContact O-CB 3.41Å; T292-K296 WeakPolarHBondContact O-CD 3.4Å; T292-K296 WeakPolarHBondContact O-CG 3.23Å; T292-K296 PolarHBondContact O-N 2.95Å
293E73.2Confident63.9Low73 Ų7382.7 Ų82.734%0.34139%0.389SS..Hα-helixtrans-71.4-39.4174.3-165.464.9-168.400112.1D289 E290 L291 K296 R297D289-E293 VanDerWaalsContact O-CB 3.26Å; D289-E293 WeakPolarHBondContact O-CB 3.4Å; D289-E293 PolarHBondContact O-N 3.43Å; E290-E293 PolarHBondContact O-N 3.43Å; L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 3.3Å; E293-K296 PolarHBondContact O-N 2.96Å; E293-K296 WeakPolarHBondContact OE2-CD 3.49Å; E293-K296 IonicContact OE2-NZ 3.46Å; E293-K296 PolarHBondContact OE2-NZ 3.46Å; E293-R297 VanDerWaalsContact O-CG 3.3Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.39Å; E293-R297 IonicContact OE1-NH2 2.71Å
294I72.1Confident64.5Low33 Ų3380 Ų8017%0.16937%0.372CS..Hα-helixtrans-60-53.4169.5-70.4162.7000109.7F177 E290 L291 K296 R297 I298F177-I294 HydrophobicContact CG-CG2 4.39Å; E290-I294 WeakPolarHBondContact O-CB 3.4Å; E290-I294 VanDerWaalsContact O-CG1 3.26Å; E290-I294 WeakPolarHBondContact O-CG1 3.3Å; E290-I294 PolarHBondContact O-N 3.37Å; L291-I294 PolarHBondContact O-N 3.19Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 2.92Å; I294-R297 WeakPolarHBondContact O-CB 3.35Å; I294-R297 PolarHBondContact O-N 3.11Å; I294-I298 HydrophobicContact CG2-CD1 3.75Å; I294-I298 HydrophobicContact CG2-CG1 4.42Å; I294-I298 WeakPolarHBondContact O-CB 3.47Å; I294-I298 WeakPolarHBondContact O-CG1 3.3Å; I294-I298 PolarHBondContact O-N 3.2Å
295F70.8Confident65.1Low23 Ų2383.9 Ų83.910%0.10138%0.378CS..Hα-helixtrans-63-30.7178.5-63.1-42.6000113.4Q164 L167 A168 F177 L291 I298 R299 L383Q164-F295 HydrophobicContact CB-CD1 4.38Å; Q164-F295 HydrophobicContact CB-CE1 4.21Å; Q164-F295 HydrophobicContact CB-CZ 4.37Å; Q164-F295 HydrophobicContact CG-CD1 3.67Å; Q164-F295 HydrophobicContact CG-CE1 3.75Å; Q164-F295 HydrophobicContact CG-CG 4.28Å; Q164-F295 HydrophobicContact CG-CZ 4.4Å; L167-F295 HydrophobicContact CB-CZ 4.39Å; A168-F295 HydrophobicContact CB-CE2 4.16Å; F177-F295 AromaticContact CE2-CE1 3.67Å; F177-F295 HydrophobicContact CE2-CE1 3.67Å; F177-F295 AromaticContact CE2-CZ 3.88Å; F177-F295 HydrophobicContact CE2-CZ 3.88Å; F177-F295 AromaticContact CZ-CE1 3.64Å; F177-F295 HydrophobicContact CZ-CE1 3.64Å; F177-F295 HydrophobicContact CZ-CZ 4.24Å; L291-F295 HydrophobicContact CB-CD2 4.36Å; L291-F295 HydrophobicContact CB-CE2 4.04Å; L291-F295 WeakPolarHBondContact O-CB 3.21Å; L291-F295 WeakPolarHBondContact O-CD2 3.43Å; L291-F295 VanDerWaalsContact O-CG 3.23Å; L291-F295 WeakPolarHBondContact O-CG 3.36Å; L291-F295 PolarHBondContact O-N 2.89Å; F295-I298 HydrophobicContact CD1-CD1 4.2Å; F295-R299 WeakPolarHBondContact O-CB 3.34Å; F295-R299 PolarHBondContact O-N 3.35Å; F295-L383 HydrophobicContact CE1-CD2 4.05Å
296K67.3Low65.9Low91 Ų9184.6 Ų84.640%0.39638%0.377SS..Hα-helixtrans-68.2-38.8170.2-77.2161.6-173.1151.90112.5T292 E293 I294 R299 R300T292-K296 HydrophobicContact CG2-CD 4.41Å; T292-K296 WeakPolarHBondContact O-CB 3.41Å; T292-K296 WeakPolarHBondContact O-CD 3.4Å; T292-K296 WeakPolarHBondContact O-CG 3.23Å; T292-K296 PolarHBondContact O-N 2.95Å; E293-K296 PolarHBondContact O-N 2.96Å; E293-K296 WeakPolarHBondContact OE2-CD 3.49Å; E293-K296 IonicContact OE2-NZ 3.46Å; E293-K296 PolarHBondContact OE2-NZ 3.46Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 2.92Å; K296-R299 PolarHBondContact O-N 3.07Å; K296-R300 WeakPolarHBondContact O-CG 3.49Å; K296-R300 PolarHBondContact O-N 3.3Å; K296-R300 VanDerWaalsContact O-N 3.16Å
297R64.9Low66.8Low158 Ų15885 Ų8560%0.59637%0.371SS*.Hα-helixtrans-67.7-46.5176.2-70.8170.4-169-164.13.9110.7E293 I294 R299 R300 K301E293-R297 VanDerWaalsContact O-CG 3.3Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.39Å; E293-R297 IonicContact OE1-NH2 2.71Å; I294-R297 WeakPolarHBondContact O-CB 3.35Å; I294-R297 PolarHBondContact O-N 3.11Å; R297-R299 VanDerWaalsContact C-N 3.29Å; R297-R299 PolarHBondContact O-N 2.99Å; R297-R300 WeakPolarHBondContact O-CA 3.29Å; R297-R300 WeakPolarHBondContact O-CB 3.29Å; R297-R300 PolarHBondContact O-N 3.22Å; R297-K301 PolarHBondContact O-N 3.04Å
298I61.1Low67.7Low10 Ų1083 Ų835%0.05138%0.376CS..Hα-helixtrans-52.8-46.3170.3-71.9177.4000111.2F177 I294 F295 R300 K301 R302 L383 L384 E387F177-I298 HydrophobicContact CE1-CD1 4.37Å; I294-I298 HydrophobicContact CG2-CD1 3.75Å; I294-I298 HydrophobicContact CG2-CG1 4.42Å; I294-I298 WeakPolarHBondContact O-CB 3.47Å; I294-I298 WeakPolarHBondContact O-CG1 3.3Å; I294-I298 PolarHBondContact O-N 3.2Å; F295-I298 HydrophobicContact CD1-CD1 4.2Å; I298-R300 PolarHBondContact O-N 3.33Å; I298-K301 PolarHBondContact O-N 2.86Å; I298-R302 PolarHBondContact O-N 2.84Å; I298-L383 HydrophobicContact CD1-CD2 4.46Å; I298-L384 HydrophobicContact CD1-CD2 4.43Å; I298-E387 WeakPolarHBondContact CA-OE1 3.42Å; I298-E387 VanDerWaalsContact CG1-OE2 3.24Å; I298-E387 WeakPolarHBondContact CG1-OE2 3.28Å; I298-E387 HydrophobicContact CG2-CG 4.3Å; I298-E387 VanDerWaalsContact CG2-OE2 3.23Å; I298-E387 WeakPolarHBondContact CG2-OE2 3.33Å
299R61.1Low68.7Low185 Ų18587.1 Ų87.170%0.69839%0.388SS*.Hα-helixtrans-67.8-16.3177.3-172169.8-179.4164.24.8114.3F295 K296 R297F295-R299 WeakPolarHBondContact O-CB 3.34Å; F295-R299 PolarHBondContact O-N 3.35Å; K296-R299 PolarHBondContact O-N 3.07Å; R297-R299 VanDerWaalsContact C-N 3.29Å; R297-R299 PolarHBondContact O-N 2.99Å
300R55.4Low69.4Low170 Ų17082.1 Ų82.164%0.64236%0.362SS*.Hα-helixtrans-90.5-33.2171.6-70.6174.4-175171.33.2112.5K296 R297 I298 R302 E303K296-R300 WeakPolarHBondContact O-CG 3.49Å; K296-R300 PolarHBondContact O-N 3.3Å; K296-R300 VanDerWaalsContact O-N 3.16Å; R297-R300 WeakPolarHBondContact O-CA 3.29Å; R297-R300 WeakPolarHBondContact O-CB 3.29Å; R297-R300 PolarHBondContact O-N 3.22Å; I298-R300 PolarHBondContact O-N 3.33Å; R300-R302 PolarHBondContact O-N 3.44Å; R300-E303 WeakPolarHBondContact O-CB 3.3Å; R300-E303 WeakPolarHBondContact O-CG 3.26Å; R300-E303 PolarHBondContact O-N 3.3Å
301K53.8Low70.1Confident115 Ų11578.8 Ų78.850%0.535%0.347SS..Hα-helixtrans-60.8-25.4170.2-85.5-173.2158.5-155.30113.5R297 I298 E303 E387 E391R297-K301 PolarHBondContact O-N 3.04Å; I298-K301 PolarHBondContact O-N 2.86Å; K301-E303 PolarHBondContact O-N 3.34Å; K301-E387 VanDerWaalsContact CB-OE1 3.28Å; K301-E387 WeakPolarHBondContact CB-OE1 3.28Å; K301-E387 WeakPolarHBondContact CD-OE1 3.48Å; K301-E391 WeakPolarHBondContact O-CG 3.17Å
302R55Low71Confident49 Ų4983.2 Ų83.219%0.18537%0.37CS..THydrogen-bonded Turntrans-55.6-9.9169.6-82.9-168.3172.9-165.42.5115.5V157 I298 R300 F304 L390V157-R302 PolarHBondContact O-NH2 2.98Å; I298-R302 PolarHBondContact O-N 2.84Å; R300-R302 PolarHBondContact O-N 3.44Å; R302-F304 PolarHBondContact O-N 3.31Å; R302-L390 HydrophobicContact CG-CD1 4.45Å
303E60.6Low71.8Confident148 Ų14881.6 Ų81.669%0.69236%0.362SS*.SBendtrans-68.794173.4-71.5177-15100110.3R300 K301 R305R300-E303 WeakPolarHBondContact O-CB 3.3Å; R300-E303 WeakPolarHBondContact O-CG 3.26Å; R300-E303 PolarHBondContact O-N 3.3Å; K301-E303 PolarHBondContact O-N 3.34Å; E303-R305 PolarHBondContact O-N 3.13Å
304F69.8Low72.6Confident13 Ų1378.1 Ų78.16%0.05735%0.346CS..  trans-38.8125.8177.6165.3-95.3000112.9R302 P306 L328 R329 N333R302-F304 PolarHBondContact O-N 3.31Å; F304-P306 HydrophobicContact CE1-CB 3.96Å; F304-P306 WeakPolarHBondContact O-CD 3.35Å; F304-L328 HydrophobicContact CE1-CB 4.11Å; F304-L328 VanDerWaalsContact CZ-C 3.42Å; F304-L328 HydrophobicContact CZ-CB 4.18Å; F304-L328 VanDerWaalsContact CZ-O 3.26Å; F304-L328 WeakPolarHBondContact CZ-O 3.26Å; F304-R329 HydrophobicContact CB-CG 3.91Å; F304-R329 HydrophobicContact CD1-CB 3.55Å; F304-R329 HydrophobicContact CD1-CG 3.76Å; F304-R329 HydrophobicContact CD2-CG 4.3Å; F304-R329 HydrophobicContact CE1-CB 3.73Å; F304-R329 HydrophobicContact CE1-CG 4.37Å; F304-R329 VanDerWaalsContact CE1-N 3.31Å; F304-R329 HydrophobicContact CG-CB 4.02Å; F304-R329 HydrophobicContact CG-CG 3.72Å; F304-R329 HydrophobicContact CZ-CB 4.33Å; F304-N333 VanDerWaalsContact CZ-OD1 3.28Å; F304-N333 WeakPolarHBondContact CZ-OD1 3.36Å
305R70.9Confident73.6Confident159 Ų15980.4 Ų80.460%0.636%0.357SS*.  trans-87.2114.8175.6-61.8-162.3-164-170.913.1111E303 N333 E391E303-R305 PolarHBondContact O-N 3.13Å; R305-N333 PolarHBondContact O-ND2 3.46Å; R305-E391 HydrophobicContact CG-CG 4.24Å; R305-E391 IonicContact CZ-OE1 2.68Å; R305-E391 IonicContact NE-OE1 3.31Å; R305-E391 PolarHBondContact NE-OE1 3.22Å; R305-E391 IonicContact NH2-OE1 3.42Å; R305-E391 PolarHBondContact NH2-OE1 3.05Å
306P76.9Confident74.5Confident44 Ų4486.9 Ų86.929%0.28639%0.387SS..  trans-73.1142.1170.534.8-36.6000109.8F304 S308 V311 V325 L328 N333F304-P306 HydrophobicContact CE1-CB 3.96Å; F304-P306 WeakPolarHBondContact O-CD 3.35Å; P306-S308 PolarHBondContact O-N 3.2Å; P306-V311 HydrophobicContact CB-CG2 3.61Å; P306-V311 HydrophobicContact CG-CG2 4.02Å; P306-V325 HydrophobicContact CB-CG1 4.26Å; P306-V325 HydrophobicContact CB-CG2 4.1Å; P306-V325 HydrophobicContact CG-CG1 4.06Å; P306-V325 HydrophobicContact CG-CG2 3.82Å; P306-L328 HydrophobicContact CB-CB 4.46Å; P306-L328 HydrophobicContact CB-CD1 4.04Å; P306-N333 VanDerWaalsContact CA-OD1 3.29Å; P306-N333 WeakPolarHBondContact CA-OD1 3.45Å
307D80.9Confident75.5Confident60 Ų6087.8 Ų87.832%0.32139%0.394SS..  trans-62.7122.6171.4165.236.7000109.9R309 A310 V311 N333D307-R309 PolarHBondContact O-N 3.5Å; D307-R309 PolarHBondContact OD1-N 2.96Å; D307-A310 HydrophobicContact CB-CB 4.05Å; D307-A310 PolarHBondContact O-N 2.74Å; D307-A310 VanDerWaalsContact OD2-CB 3.29Å; D307-A310 WeakPolarHBondContact OD2-CB 3.33Å; D307-A310 PolarHBondContact OD2-N 3.02Å; D307-V311 VanDerWaalsContact O-CG2 3.28Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 3.16Å; D307-N333 HydrophobicContact CB-CB 4.29Å; D307-N333 PolarHBondContact N-OD1 2.87Å
308S82.9Confident76.5Confident79 Ų7983.5 Ų83.555%0.55240%0.399SS*.Hα-helixtrans-60.1-33.4-178.956.90000112.3P306 I312P306-S308 PolarHBondContact O-N 3.2Å; S308-I312 WeakPolarHBondContact O-CB 3.49Å; S308-I312 WeakPolarHBondContact O-CD1 3.06Å; S308-I312 VanDerWaalsContact O-CG1 3.23Å; S308-I312 WeakPolarHBondContact O-CG1 3.23Å; S308-I312 PolarHBondContact O-N 3.06Å
309R84.8Confident77.9Confident167 Ų16785 Ų8563%0.6341%0.405SS*.Hα-helixtrans-70-48.5177.7-177.4-178.6-179.5175.22.1111.4D307 V311 I312 A313D307-R309 PolarHBondContact O-N 3.5Å; D307-R309 PolarHBondContact OD1-N 2.96Å; R309-V311 VanDerWaalsContact C-N 3.31Å; R309-V311 PolarHBondContact O-N 3.06Å; R309-I312 PolarHBondContact O-N 3.46Å; R309-A313 WeakPolarHBondContact O-CB 3.26Å; R309-A313 PolarHBondContact O-N 2.95Å
310A84.1Confident79.3Confident1 Ų181.7 Ų81.71%0.00840%0.401CS..Hα-helixtrans-62.6-36.6174.900000112.3D307 L314 L328 Q335D307-A310 HydrophobicContact CB-CB 4.05Å; D307-A310 PolarHBondContact O-N 2.74Å; D307-A310 VanDerWaalsContact OD2-CB 3.29Å; D307-A310 WeakPolarHBondContact OD2-CB 3.33Å; D307-A310 PolarHBondContact OD2-N 3.02Å; A310-L314 WeakPolarHBondContact O-CB 3.24Å; A310-L314 WeakPolarHBondContact O-CD1 3.35Å; A310-L314 VanDerWaalsContact O-CG 3.28Å; A310-L314 WeakPolarHBondContact O-CG 3.44Å; A310-L314 PolarHBondContact O-N 3.35Å; A310-L328 HydrophobicContact CB-CD1 4.05Å; A310-L328 HydrophobicContact CB-CD2 3.73Å; A310-Q335 HydrophobicContact CB-CB 4.12Å; A310-Q335 HydrophobicContact CB-CG 4.34Å
311V87.1Confident80.9Confident17 Ų1779.3 Ų79.310%0.10340%0.397CS..Hα-helixtrans-60.6-55.4173.9169.60000110.8P306 D307 R309 A313 L314 M315 V324 V325 L328P306-V311 HydrophobicContact CB-CG2 3.61Å; P306-V311 HydrophobicContact CG-CG2 4.02Å; D307-V311 VanDerWaalsContact O-CG2 3.28Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 3.16Å; R309-V311 VanDerWaalsContact C-N 3.31Å; R309-V311 PolarHBondContact O-N 3.06Å; V311-A313 VanDerWaalsContact C-N 3.35Å; V311-A313 PolarHBondContact O-N 3.27Å; V311-L314 PolarHBondContact O-N 2.71Å; V311-M315 HydrophobicContact CG1-CG 4.34Å; V311-M315 HydrophobicContact CG1-SD 3.58Å; V311-M315 VanDerWaalsContact CG1-SD 3.58Å; V311-M315 WeakPolarHBondContact O-CB 3.21Å; V311-M315 WeakPolarHBondContact O-CG 3.35Å; V311-M315 PolarHBondContact O-N 3.48Å; V311-V324 HydrophobicContact CB-CG1 4.31Å; V311-V324 HydrophobicContact CG1-CG1 4.38Å; V311-V324 HydrophobicContact CG2-CG1 4.17Å; V311-V325 HydrophobicContact CG2-CG2 4.33Å; V311-L328 HydrophobicContact CG2-CD1 3.57Å
312I88.3Confident82.5Confident98 Ų9882 Ų8250%0.50341%0.409SS..Hα-helixtrans-57.5-49.2-179.4-69.4163.3000110.2S308 R309 L314 M315 E316S308-I312 WeakPolarHBondContact O-CB 3.49Å; S308-I312 WeakPolarHBondContact O-CD1 3.06Å; S308-I312 VanDerWaalsContact O-CG1 3.23Å; S308-I312 WeakPolarHBondContact O-CG1 3.23Å; S308-I312 PolarHBondContact O-N 3.06Å; R309-I312 PolarHBondContact O-N 3.46Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.12Å; I312-M315 PolarHBondContact O-N 3.45Å; I312-M315 VanDerWaalsContact O-N 3.15Å; I312-E316 HydrophobicContact CG2-CG 4.41Å; I312-E316 WeakPolarHBondContact O-CG 3.5Å; I312-E316 PolarHBondContact O-N 3.04Å
313A88.1Confident84Confident21 Ų2182.3 Ų82.317%0.17441%0.413CS..Hα-helixtrans-65.6-28.1-17700000113.8R309 V311 M317 Q335R309-A313 WeakPolarHBondContact O-CB 3.26Å; R309-A313 PolarHBondContact O-N 2.95Å; V311-A313 VanDerWaalsContact C-N 3.35Å; V311-A313 PolarHBondContact O-N 3.27Å; A313-M317 WeakPolarHBondContact O-CG 3.45Å; A313-Q335 VanDerWaalsContact CB-NE2 3.28Å
314L89.9Confident85.3Confident0 Ų075.3 Ų75.30%038%0.38CS..Hα-helixtrans-82.3-33.4172.9-69.9168.2000112A310 V311 I312 E316 M317 F319 V324 L328 Q335 A338 C339 L342A310-L314 WeakPolarHBondContact O-CB 3.24Å; A310-L314 WeakPolarHBondContact O-CD1 3.35Å; A310-L314 VanDerWaalsContact O-CG 3.28Å; A310-L314 WeakPolarHBondContact O-CG 3.44Å; A310-L314 PolarHBondContact O-N 3.35Å; V311-L314 PolarHBondContact O-N 2.71Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.12Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-M317 HydrophobicContact CD2-SD 4.07Å; L314-M317 WeakPolarHBondContact O-CB 3.33Å; L314-M317 PolarHBondContact O-N 3.11Å; L314-F319 HydrophobicContact CB-CD2 4.39Å; L314-F319 HydrophobicContact CD2-CD2 4.27Å; L314-F319 HydrophobicContact CD2-CE2 4.35Å; L314-F319 WeakPolarHBondContact O-CD2 3.2Å; L314-F319 PolarHBondContact O-N 3.4Å; L314-V324 HydrophobicContact CB-CB 4.36Å; L314-V324 HydrophobicContact CB-CG1 3.69Å; L314-V324 HydrophobicContact CB-CG2 3.71Å; L314-V324 HydrophobicContact CD1-CG1 3.89Å; L314-V324 HydrophobicContact CG-CG1 4.43Å; L314-L328 HydrophobicContact CD1-CD1 4.45Å; L314-L328 HydrophobicContact CD1-CD2 4.18Å; L314-L328 HydrophobicContact CD1-CG 4.28Å; L314-Q335 HydrophobicContact CD1-CG 4.28Å; L314-Q335 HydrophobicContact CD2-CG 4.26Å; L314-Q335 HydrophobicContact CG-CG 4.1Å; L314-A338 HydrophobicContact CD1-CB 3.97Å; L314-C339 HydrophobicContact CD2-CB 4.01Å; L314-L342 HydrophobicContact CD1-CD1 4.35Å; L314-L342 HydrophobicContact CD2-CD1 4.25Å
315M91.3Very high86Confident81 Ų8176 Ų7640%0.39939%0.385SS..Hα-helixtrans-65.6-35.9171.2-71.2176.266.100112V311 I312 M317 G318 E321 V324V311-M315 HydrophobicContact CG1-CG 4.34Å; V311-M315 HydrophobicContact CG1-SD 3.58Å; V311-M315 VanDerWaalsContact CG1-SD 3.58Å; V311-M315 WeakPolarHBondContact O-CB 3.21Å; V311-M315 WeakPolarHBondContact O-CG 3.35Å; V311-M315 PolarHBondContact O-N 3.48Å; I312-M315 PolarHBondContact O-N 3.45Å; I312-M315 VanDerWaalsContact O-N 3.15Å; M315-M317 PolarHBondContact O-N 3.34Å; M315-G318 WeakPolarHBondContact O-CA 3.41Å; M315-G318 PolarHBondContact O-N 3.47Å; M315-E321 HydrophobicContact CE-CB 3.97Å; M315-E321 HydrophobicContact CE-CG 4.32Å; M315-E321 HydrophobicContact SD-CB 3.85Å; M315-E321 HydrophobicContact SD-CG 3.88Å; M315-V324 HydrophobicContact CG-CG2 4.44Å
316E91.4Very high86.6Confident159 Ų15970.9 Ų70.974%0.74337%0.37SS*.Hα-helixtrans-63.5-27171.9-75.2-176.7159.900113.1I312 L314 G318I312-E316 HydrophobicContact CG2-CG 4.41Å; I312-E316 WeakPolarHBondContact O-CG 3.5Å; I312-E316 PolarHBondContact O-N 3.04Å; L314-E316 VanDerWaalsContact C-N 3.34Å; E316-G318 PolarHBondContact O-N 3.17Å
317M86.6Confident87Confident110 Ų11068.8 Ų68.854%0.54236%0.356SS..THydrogen-bonded Turntrans-75.8-4.4170.8-64.2177.4-16300113.2A313 L314 M315 F319A313-M317 WeakPolarHBondContact O-CG 3.45Å; L314-M317 HydrophobicContact CD2-SD 4.07Å; L314-M317 WeakPolarHBondContact O-CB 3.33Å; L314-M317 PolarHBondContact O-N 3.11Å; M315-M317 PolarHBondContact O-N 3.34Å; M317-F319 HydrophobicContact CB-CD2 3.86Å; M317-F319 HydrophobicContact CB-CE2 3.84Å; M317-F319 HydrophobicContact SD-CE2 4.32Å
318G87.3Confident87Confident67 Ų6766 Ų6669%0.69134%0.341SS*.THydrogen-bonded Turntrans88.719.717800000115M315 E316M315-G318 WeakPolarHBondContact O-CA 3.41Å; M315-G318 PolarHBondContact O-N 3.47Å; E316-G318 PolarHBondContact O-N 3.17Å
319F90.5Very high86.8Confident42 Ų4264.5 Ų64.518%0.18432%0.324CS..  trans-85.3144.3171.9-61.9-68000111.6L314 M317 V324 L342 L343L314-F319 HydrophobicContact CB-CD2 4.39Å; L314-F319 HydrophobicContact CD2-CD2 4.27Å; L314-F319 HydrophobicContact CD2-CE2 4.35Å; L314-F319 WeakPolarHBondContact O-CD2 3.2Å; L314-F319 PolarHBondContact O-N 3.4Å; M317-F319 HydrophobicContact CB-CD2 3.86Å; M317-F319 HydrophobicContact CB-CE2 3.84Å; M317-F319 HydrophobicContact SD-CE2 4.32Å; F319-V324 HydrophobicContact CB-CG2 3.48Å; F319-V324 VanDerWaalsContact CB-CG2 3.48Å; F319-L342 HydrophobicContact CB-CD1 4.27Å; F319-L342 HydrophobicContact CD1-CB 4.13Å; F319-L342 HydrophobicContact CD1-CD1 4.19Å; F319-L342 HydrophobicContact CD1-CD2 4.28Å; F319-L342 HydrophobicContact CD1-CG 4.43Å; F319-L342 HydrophobicContact CD2-CD1 3.82Å; F319-L342 HydrophobicContact CE1-CB 3.84Å; F319-L342 HydrophobicContact CE1-CD1 4.49Å; F319-L342 HydrophobicContact CE2-CD1 4.15Å; F319-L342 HydrophobicContact CG-CD1 3.85Å; F319-L342 HydrophobicContact CZ-CB 4.07Å; F319-L342 HydrophobicContact CZ-CD1 4.47Å; F319-L343 HydrophobicContact CE1-CD2 4.16Å; F319-L343 HydrophobicContact CZ-CD2 3.85Å; F319-L343 HydrophobicContact CZ-CG 4.06Å
320D90.5Very high86.5Confident116 Ų11656.9 Ų56.962%0.6230%0.295SS*.  trans-66.4132.4175.9-84.7-65.9000111.3K322 E323 V324D320-K322 PolarHBondContact O-N 3.05Å; D320-E323 HydrophobicContact CB-CB 4.48Å; D320-E323 HydrophobicContact CB-CG 4Å; D320-E323 WeakPolarHBondContact O-CA 3.49Å; D320-E323 WeakPolarHBondContact O-CB 3.26Å; D320-E323 PolarHBondContact O-N 3.45Å; D320-V324 WeakPolarHBondContact O-CG2 3.22Å; D320-V324 PolarHBondContact O-N 3.28Å
321E88.2Confident86.2Confident119 Ų11957.2 Ų57.256%0.55630%0.297SS*.Hα-helixtrans-45.8-43.1-178.3-176.9-174.9-17700113.2M315 V324 V325M315-E321 HydrophobicContact CE-CB 3.97Å; M315-E321 HydrophobicContact CE-CG 4.32Å; M315-E321 HydrophobicContact SD-CB 3.85Å; M315-E321 HydrophobicContact SD-CG 3.88Å; E321-V324 WeakPolarHBondContact O-CB 3.2Å; E321-V324 PolarHBondContact O-N 3.28Å; E321-V325 WeakPolarHBondContact O-CG2 3.24Å; E321-V325 PolarHBondContact O-N 2.9Å
322K87.3Confident85.6Confident171 Ų17158 Ų5874%0.74330%0.301SS*.Hα-helixtrans-63.9-43.8178.9-64.6178.5-178.61760112.5D320 V324 V325 D326D320-K322 PolarHBondContact O-N 3.05Å; K322-V324 VanDerWaalsContact C-N 3.3Å; K322-V325 PolarHBondContact O-N 2.71Å; K322-D326 WeakPolarHBondContact O-CB 3.25Å; K322-D326 PolarHBondContact O-N 2.8Å
323E86.4Confident85.1Confident57 Ų5754.6 Ų54.627%0.26628%0.284SS..Hα-helixtrans-67.9-36.6178.2-54.1-166.8145.800110.5D320 D326 A327 L342 R346D320-E323 HydrophobicContact CB-CB 4.48Å; D320-E323 HydrophobicContact CB-CG 4Å; D320-E323 WeakPolarHBondContact O-CA 3.49Å; D320-E323 WeakPolarHBondContact O-CB 3.26Å; D320-E323 PolarHBondContact O-N 3.45Å; E323-D326 PolarHBondContact O-N 3.02Å; E323-A327 WeakPolarHBondContact O-CB 3.24Å; E323-A327 PolarHBondContact O-N 3.1Å; E323-L342 HydrophobicContact CB-CD2 3.7Å; E323-R346 VanDerWaalsContact CD-NH2 3.27Å; E323-R346 IonicContact OE1-CZ 3.48Å; E323-R346 IonicContact OE1-NH1 2.55Å; E323-R346 PolarHBondContact OE1-NH1 3.42Å; E323-R346 IonicContact OE1-NH2 3.55Å; E323-R346 PolarHBondContact OE1-NH2 3.03Å; E323-R346 IonicContact OE2-CZ 2.74Å; E323-R346 IonicContact OE2-NH1 3.84Å; E323-R346 IonicContact OE2-NH2 2.66Å; E323-R346 PolarHBondContact OE2-NH2 2.71Å
324V87.7Confident84.7Confident0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-63-47.8174.6171.20000111.6V311 L314 M315 F319 D320 E321 K322 A327 L328 L342V311-V324 HydrophobicContact CB-CG1 4.31Å; V311-V324 HydrophobicContact CG1-CG1 4.38Å; V311-V324 HydrophobicContact CG2-CG1 4.17Å; L314-V324 HydrophobicContact CB-CB 4.36Å; L314-V324 HydrophobicContact CB-CG1 3.69Å; L314-V324 HydrophobicContact CB-CG2 3.71Å; L314-V324 HydrophobicContact CD1-CG1 3.89Å; L314-V324 HydrophobicContact CG-CG1 4.43Å; M315-V324 HydrophobicContact CG-CG2 4.44Å; F319-V324 HydrophobicContact CB-CG2 3.48Å; F319-V324 VanDerWaalsContact CB-CG2 3.48Å; D320-V324 WeakPolarHBondContact O-CG2 3.22Å; D320-V324 PolarHBondContact O-N 3.28Å; E321-V324 WeakPolarHBondContact O-CB 3.2Å; E321-V324 PolarHBondContact O-N 3.28Å; K322-V324 VanDerWaalsContact C-N 3.3Å; V324-A327 PolarHBondContact O-N 2.71Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.29Å; V324-L328 PolarHBondContact O-N 2.93Å; V324-L342 HydrophobicContact CG2-CD1 4.28Å
325V85Confident84.5Confident27 Ų2762.2 Ų62.216%0.16432%0.316CS..Hα-helixtrans-64.6-40.7177.1174.10000111.4P306 V311 E321 K322 L328 R329P306-V325 HydrophobicContact CB-CG1 4.26Å; P306-V325 HydrophobicContact CB-CG2 4.1Å; P306-V325 HydrophobicContact CG-CG1 4.06Å; P306-V325 HydrophobicContact CG-CG2 3.82Å; V311-V325 HydrophobicContact CG2-CG2 4.33Å; E321-V325 WeakPolarHBondContact O-CG2 3.24Å; E321-V325 PolarHBondContact O-N 2.9Å; K322-V325 PolarHBondContact O-N 2.71Å; V325-L328 PolarHBondContact O-N 3.07Å; V325-R329 WeakPolarHBondContact O-CB 3.41Å; V325-R329 PolarHBondContact O-N 2.73Å
326D83.7Confident84.2Confident53 Ų5365.2 Ų65.228%0.28333%0.333SS..Hα-helixtrans-64.7-41175-77.3-9.6000112.1K322 E323 R329 V330 W341 P350K322-D326 WeakPolarHBondContact O-CB 3.25Å; K322-D326 PolarHBondContact O-N 2.8Å; E323-D326 PolarHBondContact O-N 3.02Å; D326-R329 PolarHBondContact O-N 3.13Å; D326-R329 IonicContact OD1-CZ 2.66Å; D326-R329 IonicContact OD1-NH1 3.05Å; D326-R329 PolarHBondContact OD1-NH1 3.09Å; D326-R329 IonicContact OD1-NH2 2.71Å; D326-V330 WeakPolarHBondContact O-CG2 3.38Å; D326-V330 PolarHBondContact O-N 3.15Å; D326-W341 HydrophobicContact CB-CH2 4.28Å; D326-P350 HydrophobicContact CB-CG 3.73Å
327A84.3Confident83.7Confident0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-64.7-42.6176.200000112.2E323 V324 R329 V330 N331 A338 W341 L342E323-A327 WeakPolarHBondContact O-CB 3.24Å; E323-A327 PolarHBondContact O-N 3.1Å; V324-A327 PolarHBondContact O-N 2.71Å; A327-R329 VanDerWaalsContact C-N 3.34Å; A327-V330 PolarHBondContact O-N 3.08Å; A327-N331 WeakPolarHBondContact O-CB 3.08Å; A327-N331 PolarHBondContact O-N 3.1Å; A327-N331 PolarHBondContact O-ND2 3.36Å; A327-A338 HydrophobicContact CB-CB 3.84Å; A327-W341 HydrophobicContact CB-CD2 4.23Å; A327-W341 HydrophobicContact CB-CE3 3.4Å; A327-W341 VanDerWaalsContact CB-CE3 3.4Å; A327-W341 HydrophobicContact CB-CZ3 3.77Å; A327-L342 HydrophobicContact CB-CD1 3.99Å; A327-L342 HydrophobicContact CB-CD2 3.99Å; A327-L342 HydrophobicContact CB-CG 3.64Å
328L82.1Confident83.6Confident0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-67.1-35.2175-69.4167.6000111.5F304 P306 A310 V311 L314 V324 V325 N331 N332 N333 A338F304-L328 HydrophobicContact CE1-CB 4.11Å; F304-L328 VanDerWaalsContact CZ-C 3.42Å; F304-L328 HydrophobicContact CZ-CB 4.18Å; F304-L328 VanDerWaalsContact CZ-O 3.26Å; F304-L328 WeakPolarHBondContact CZ-O 3.26Å; P306-L328 HydrophobicContact CB-CB 4.46Å; P306-L328 HydrophobicContact CB-CD1 4.04Å; A310-L328 HydrophobicContact CB-CD1 4.05Å; A310-L328 HydrophobicContact CB-CD2 3.73Å; V311-L328 HydrophobicContact CG2-CD1 3.57Å; L314-L328 HydrophobicContact CD1-CD1 4.45Å; L314-L328 HydrophobicContact CD1-CD2 4.18Å; L314-L328 HydrophobicContact CD1-CG 4.28Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.29Å; V324-L328 PolarHBondContact O-N 2.93Å; V325-L328 PolarHBondContact O-N 3.07Å; L328-N331 CarbonylContact O-C 3.56Å; L328-N331 PolarHBondContact O-N 3.2Å; L328-N332 PolarHBondContact O-N 3.42Å; L328-N333 PolarHBondContact O-N 2.93Å; L328-A338 HydrophobicContact CD2-CB 3.77Å; L328-A338 HydrophobicContact CG-CB 4.15Å
329R77.8Confident83.5Confident49 Ų4951.1 Ų51.119%0.18525%0.253CS..Hα-helixtrans-64.8-39.6174.3-168.7-177.3-55119.210112.4F304 V325 D326 A327 N331F304-R329 HydrophobicContact CB-CG 3.91Å; F304-R329 HydrophobicContact CD1-CB 3.55Å; F304-R329 HydrophobicContact CD1-CG 3.76Å; F304-R329 HydrophobicContact CD2-CG 4.3Å; F304-R329 HydrophobicContact CE1-CB 3.73Å; F304-R329 HydrophobicContact CE1-CG 4.37Å; F304-R329 VanDerWaalsContact CE1-N 3.31Å; F304-R329 HydrophobicContact CG-CB 4.02Å; F304-R329 HydrophobicContact CG-CG 3.72Å; F304-R329 HydrophobicContact CZ-CB 4.33Å; V325-R329 WeakPolarHBondContact O-CB 3.41Å; V325-R329 PolarHBondContact O-N 2.73Å; D326-R329 PolarHBondContact O-N 3.13Å; D326-R329 IonicContact OD1-CZ 2.66Å; D326-R329 IonicContact OD1-NH1 3.05Å; D326-R329 PolarHBondContact OD1-NH1 3.09Å; D326-R329 IonicContact OD1-NH2 2.71Å; A327-R329 VanDerWaalsContact C-N 3.34Å; R329-N331 VanDerWaalsContact C-N 3.34Å
330V78.1Confident83.3Confident6 Ų654.3 Ų54.34%0.03627%0.268CS..Hα-helixtrans-72.6-28.2176.1173.50000112.2D326 A327 W341 P348 P350 L353D326-V330 WeakPolarHBondContact O-CG2 3.38Å; D326-V330 PolarHBondContact O-N 3.15Å; A327-V330 PolarHBondContact O-N 3.08Å; V330-W341 HydrophobicContact CG2-CZ2 4.12Å; V330-P348 HydrophobicContact CG1-CG 3.84Å; V330-P350 HydrophobicContact CG2-CB 4.42Å; V330-P350 HydrophobicContact CG2-CG 4.03Å; V330-L353 HydrophobicContact CB-CD1 4.22Å; V330-L353 HydrophobicContact CG1-CD1 4.49Å; V330-L353 HydrophobicContact CG2-CD1 3.81Å
331N77.9Confident83.1Confident9 Ų949.9 Ų49.95%0.04824%0.243CC..THydrogen-bonded Turntrans-113.421.2-172.3-63.9-77.4000114.3R146 A327 L328 R329 N333 Q334 A337 A338 W341R146-N331 PolarHBondContact NH2-OD1 3.49Å; A327-N331 WeakPolarHBondContact O-CB 3.08Å; A327-N331 PolarHBondContact O-N 3.1Å; A327-N331 PolarHBondContact O-ND2 3.36Å; L328-N331 CarbonylContact O-C 3.56Å; L328-N331 PolarHBondContact O-N 3.2Å; R329-N331 VanDerWaalsContact C-N 3.34Å; N331-N333 PolarHBondContact O-N 3.41Å; N331-Q334 VanDerWaalsContact O-CB 3.26Å; N331-Q334 WeakPolarHBondContact O-CB 3.19Å; N331-Q334 WeakPolarHBondContact O-CG 3.5Å; N331-Q334 PolarHBondContact O-N 3.29Å; N331-A337 HydrophobicContact CB-CB 3.89Å; N331-A337 PolarHBondContact ND2-O 2.86Å; N331-A338 HydrophobicContact CB-CB 4.47Å; N331-W341 WeakPolarHBondContact ND2-CB 3.48Å
332N74.3Confident82.9Confident34 Ų3444.6 Ų44.618%0.18222%0.218CC..THydrogen-bonded Turntrans49.550.4175.2-63.3-12.5000113.4L328 Q334 P393L328-N332 PolarHBondContact O-N 3.42Å; N332-Q334 PolarHBondContact O-N 3.42Å; N332-Q334 VanDerWaalsContact O-N 3.15Å; N332-P393 HydrophobicContact CB-CB 3.92Å; N332-P393 HydrophobicContact CB-CG 4Å
333N77.9Confident82.9Confident26 Ų2642.5 Ų42.514%0.13922%0.215CC..THydrogen-bonded Turntrans60.810.8-176.5-77.5-39.5000116.7F304 R305 P306 D307 L328 N331 Q335F304-N333 VanDerWaalsContact CZ-OD1 3.28Å; F304-N333 WeakPolarHBondContact CZ-OD1 3.36Å; R305-N333 PolarHBondContact O-ND2 3.46Å; P306-N333 VanDerWaalsContact CA-OD1 3.29Å; P306-N333 WeakPolarHBondContact CA-OD1 3.45Å; D307-N333 HydrophobicContact CB-CB 4.29Å; D307-N333 PolarHBondContact N-OD1 2.87Å; L328-N333 PolarHBondContact O-N 2.93Å; N331-N333 PolarHBondContact O-N 3.41Å; N333-Q335 PolarHBondContact O-N 3.34Å
334Q81.1Confident82.6Confident119 Ų11941.8 Ų41.856%0.55622%0.222SC*.  trans-75.9105.6174.7-63.6179.4-2.900111.2N331 N332 D336 A337 A338N331-Q334 VanDerWaalsContact O-CB 3.26Å; N331-Q334 WeakPolarHBondContact O-CB 3.19Å; N331-Q334 WeakPolarHBondContact O-CG 3.5Å; N331-Q334 PolarHBondContact O-N 3.29Å; N332-Q334 PolarHBondContact O-N 3.42Å; N332-Q334 VanDerWaalsContact O-N 3.15Å; Q334-D336 PolarHBondContact O-N 3.29Å; Q334-A337 HydrophobicContact CB-CB 3.95Å; Q334-A337 PolarHBondContact O-N 3.38Å; Q334-A338 WeakPolarHBondContact O-CB 3.08Å; Q334-A338 PolarHBondContact O-N 3.34Å
335Q84.3Confident81.9Confident62 Ų6247.9 Ų47.929%0.2926%0.255SS..Hα-helixtrans-55.1-46.2-177.6-172-175.9-1200113.4A310 A313 L314 N333 A337 A338 C339A310-Q335 HydrophobicContact CB-CB 4.12Å; A310-Q335 HydrophobicContact CB-CG 4.34Å; A313-Q335 VanDerWaalsContact CB-NE2 3.28Å; L314-Q335 HydrophobicContact CD1-CG 4.28Å; L314-Q335 HydrophobicContact CD2-CG 4.26Å; L314-Q335 HydrophobicContact CG-CG 4.1Å; N333-Q335 PolarHBondContact O-N 3.34Å; Q335-A337 PolarHBondContact O-N 3.04Å; Q335-A338 PolarHBondContact O-N 2.91Å; Q335-C339 WeakPolarHBondContact O-CB 3.43Å; Q335-C339 PolarHBondContact O-N 3.23Å
336D85.1Confident81.3Confident144 Ų14451.2 Ų51.277%0.7726%0.264SS*.Hα-helixtrans-63.5-42.7-178.9-64.7-40.2000112.2Q334 C339 E340Q334-D336 PolarHBondContact O-N 3.29Å; D336-C339 WeakPolarHBondContact O-CB 3.16Å; D336-C339 PolarHBondContact O-N 2.88Å; D336-E340 PolarHBondContact O-N 2.82Å
337A82.2Confident80.6Confident11 Ų1155.6 Ų55.69%0.09128%0.281CS..Hα-helixtrans-74.2-32.6179.600000112.2N331 Q334 Q335 E340 W341N331-A337 HydrophobicContact CB-CB 3.89Å; N331-A337 PolarHBondContact ND2-O 2.86Å; Q334-A337 HydrophobicContact CB-CB 3.95Å; Q334-A337 PolarHBondContact O-N 3.38Å; Q335-A337 PolarHBondContact O-N 3.04Å; A337-E340 PolarHBondContact O-N 3.02Å; A337-W341 WeakPolarHBondContact O-CB 3.32Å; A337-W341 PolarHBondContact O-N 2.79Å
338A84.9Confident79.8Confident0 Ų058.5 Ų58.50%030%0.3CS..Hα-helixtrans-64.1-40.7168.700000111.2L314 A327 L328 N331 Q334 Q335 W341 L342L314-A338 HydrophobicContact CD1-CB 3.97Å; A327-A338 HydrophobicContact CB-CB 3.84Å; L328-A338 HydrophobicContact CD2-CB 3.77Å; L328-A338 HydrophobicContact CG-CB 4.15Å; N331-A338 HydrophobicContact CB-CB 4.47Å; Q334-A338 WeakPolarHBondContact O-CB 3.08Å; Q334-A338 PolarHBondContact O-N 3.34Å; Q335-A338 PolarHBondContact O-N 2.91Å; A338-W341 PolarHBondContact O-N 2.8Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 VanDerWaalsContact O-CG 3.25Å; A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 3.11Å
339C84.4Confident79.1Confident28 Ų2860.1 Ų60.119%0.18931%0.311CS..Hα-helixtrans-63.5-44173.2-166.60000112.1L314 Q335 D336 W341 L342 L343L314-C339 HydrophobicContact CD2-CB 4.01Å; Q335-C339 WeakPolarHBondContact O-CB 3.43Å; Q335-C339 PolarHBondContact O-N 3.23Å; D336-C339 WeakPolarHBondContact O-CB 3.16Å; D336-C339 PolarHBondContact O-N 2.88Å; C339-W341 VanDerWaalsContact C-N 3.32Å; C339-W341 PolarHBondContact O-N 3.18Å; C339-L342 PolarHBondContact O-N 2.91Å; C339-L343 WeakPolarHBondContact O-CB 3.47Å; C339-L343 WeakPolarHBondContact O-CG 3.45Å; C339-L343 PolarHBondContact O-N 3.49Å
340E85.9Confident78.4Confident109 Ų10958.7 Ų58.751%0.50931%0.308SS..Hα-helixtrans-57.7-43172.5-171.9-173.1-151.300111.7R146 D336 A337 G344R146-E340 IonicContact NH1-OE2 3.97Å; D336-E340 PolarHBondContact O-N 2.82Å; A337-E340 PolarHBondContact O-N 3.02Å; E340-G344 PolarHBondContact O-N 3.37Å
341W85.8Confident77.8Confident23 Ų2365.2 Ų65.29%0.08734%0.338CS..Hα-helixtrans-69-40.1179.3-175.999.4000112.8D326 A327 V330 N331 A337 A338 C339 G344 R346 P348 P350D326-W341 HydrophobicContact CB-CH2 4.28Å; A327-W341 HydrophobicContact CB-CD2 4.23Å; A327-W341 HydrophobicContact CB-CE3 3.4Å; A327-W341 VanDerWaalsContact CB-CE3 3.4Å; A327-W341 HydrophobicContact CB-CZ3 3.77Å; V330-W341 HydrophobicContact CG2-CZ2 4.12Å; N331-W341 WeakPolarHBondContact ND2-CB 3.48Å; A337-W341 WeakPolarHBondContact O-CB 3.32Å; A337-W341 PolarHBondContact O-N 2.79Å; A338-W341 PolarHBondContact O-N 2.8Å; C339-W341 VanDerWaalsContact C-N 3.32Å; C339-W341 PolarHBondContact O-N 3.18Å; W341-G344 PolarHBondContact O-N 3.11Å; W341-R346 HydrophobicContact CD2-CB 4.34Å; W341-R346 HydrophobicContact CD2-CG 4.34Å; W341-R346 HydrophobicContact CE3-CG 4.13Å; W341-R346 HydrophobicContact CH2-CB 4.03Å; W341-R346 HydrophobicContact CH2-CG 4.16Å; W341-R346 HydrophobicContact CZ2-CB 3.77Å; W341-R346 HydrophobicContact CZ2-CG 4.33Å; W341-R346 HydrophobicContact CZ3-CB 4.39Å; W341-R346 HydrophobicContact CZ3-CG 4.05Å; W341-R346 VanDerWaalsContact NE1-C 3.35Å; W341-R346 WeakPolarHBondContact O-CG 3.38Å; W341-P348 PolarHBondContact NE1-O 3.3Å; W341-P350 HydrophobicContact CZ2-CG 4.42Å
342L85.5Confident77.3Confident8 Ų868.1 Ų68.14%0.04235%0.354CS..Hα-helixtrans-64.3-38.5176.7-77.7164.8000112.8L314 F319 E323 V324 A327 A338 C339L314-L342 HydrophobicContact CD1-CD1 4.35Å; L314-L342 HydrophobicContact CD2-CD1 4.25Å; F319-L342 HydrophobicContact CB-CD1 4.27Å; F319-L342 HydrophobicContact CD1-CB 4.13Å; F319-L342 HydrophobicContact CD1-CD1 4.19Å; F319-L342 HydrophobicContact CD1-CD2 4.28Å; F319-L342 HydrophobicContact CD1-CG 4.43Å; F319-L342 HydrophobicContact CD2-CD1 3.82Å; F319-L342 HydrophobicContact CE1-CB 3.84Å; F319-L342 HydrophobicContact CE1-CD1 4.49Å; F319-L342 HydrophobicContact CE2-CD1 4.15Å; F319-L342 HydrophobicContact CG-CD1 3.85Å; F319-L342 HydrophobicContact CZ-CB 4.07Å; F319-L342 HydrophobicContact CZ-CD1 4.47Å; E323-L342 HydrophobicContact CB-CD2 3.7Å; V324-L342 HydrophobicContact CG2-CD1 4.28Å; A327-L342 HydrophobicContact CB-CD1 3.99Å; A327-L342 HydrophobicContact CB-CD2 3.99Å; A327-L342 HydrophobicContact CB-CG 3.64Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 VanDerWaalsContact O-CG 3.25Å; A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 3.11Å; C339-L342 PolarHBondContact O-N 2.91Å
343L85.8Confident76.8Confident128 Ų12866.7 Ų66.767%0.6735%0.346SS*.Hα-helixtrans-83.7-12178.3-67.2173.1000113.6F319 C339F319-L343 HydrophobicContact CE1-CD2 4.16Å; F319-L343 HydrophobicContact CZ-CD2 3.85Å; F319-L343 HydrophobicContact CZ-CG 4.06Å; C339-L343 WeakPolarHBondContact O-CB 3.47Å; C339-L343 WeakPolarHBondContact O-CG 3.45Å; C339-L343 PolarHBondContact O-N 3.49Å
344G80.8Confident76.3Confident41 Ų4169.6 Ų69.642%0.42336%0.361SS..THydrogen-bonded Turntrans-107.1-157.9-175.700000114.8E340 W341 R346E340-G344 PolarHBondContact O-N 3.37Å; W341-G344 PolarHBondContact O-N 3.11Å; G344-R346 PolarHBondContact O-N 3.32Å; G344-R346 VanDerWaalsContact O-N 3.12Å
345D74Confident76Confident128 Ų12869 Ų6968%0.68436%0.357SS*.THydrogen-bonded Turntrans-711.1-175.4-101.430000115.1K347D345-K347 VanDerWaalsContact C-N 3.33Å; D345-K347 HydrophobicContact CB-CD 4.17Å; D345-K347 PolarHBondContact O-N 2.83Å; D345-K347 IonicContact OD2-NZ 3.73Å; D345-K347 PolarHBondContact OD2-NZ 3.26Å
346R72.3Confident75.6Confident97 Ų9767.7 Ų67.737%0.36636%0.36SS..  trans50.544.6-177.2-60.8-179.1-178.6-164.9-6114.5E323 W341 G344E323-R346 VanDerWaalsContact CD-NH2 3.27Å; E323-R346 IonicContact OE1-CZ 3.48Å; E323-R346 IonicContact OE1-NH1 2.55Å; E323-R346 PolarHBondContact OE1-NH1 3.42Å; E323-R346 IonicContact OE1-NH2 3.55Å; E323-R346 PolarHBondContact OE1-NH2 3.03Å; E323-R346 IonicContact OE2-CZ 2.74Å; E323-R346 IonicContact OE2-NH1 3.84Å; E323-R346 IonicContact OE2-NH2 2.66Å; E323-R346 PolarHBondContact OE2-NH2 2.71Å; W341-R346 HydrophobicContact CD2-CB 4.34Å; W341-R346 HydrophobicContact CD2-CG 4.34Å; W341-R346 HydrophobicContact CE3-CG 4.13Å; W341-R346 HydrophobicContact CH2-CB 4.03Å; W341-R346 HydrophobicContact CH2-CG 4.16Å; W341-R346 HydrophobicContact CZ2-CB 3.77Å; W341-R346 HydrophobicContact CZ2-CG 4.33Å; W341-R346 HydrophobicContact CZ3-CB 4.39Å; W341-R346 HydrophobicContact CZ3-CG 4.05Å; W341-R346 VanDerWaalsContact NE1-C 3.35Å; W341-R346 WeakPolarHBondContact O-CG 3.38Å; G344-R346 PolarHBondContact O-N 3.32Å; G344-R346 VanDerWaalsContact O-N 3.12Å
347K68.6Low75.4Confident146 Ų14662 Ų6264%0.63533%0.33SS*.  trans-119.4141.2177.5-69.1164.5-165.5157.10110.4D345D345-K347 VanDerWaalsContact C-N 3.33Å; D345-K347 HydrophobicContact CB-CD 4.17Å; D345-K347 PolarHBondContact O-N 2.83Å; D345-K347 IonicContact OD2-NZ 3.73Å; D345-K347 PolarHBondContact OD2-NZ 3.26Å
348P67.4Low75.3Confident61 Ų6167.7 Ų67.740%0.39636%0.359SS..SBendcis-66.9167.3-7.431.4-36.3000112V330 W341V330-P348 HydrophobicContact CG1-CG 3.84Å; W341-P348 PolarHBondContact NE1-O 3.3Å
349S66.4Low74.9Confident34 Ų3472.4 Ų72.424%0.23839%0.387CS..  trans-81.5153.2176.586.90000111.3E351 D352S349-E351 VanDerWaalsContact C-N 3.31Å; S349-E351 PolarHBondContact O-N 2.89Å; S349-D352 WeakPolarHBondContact CB-OD2 3.33Å; S349-D352 PolarHBondContact O-N 3.29Å; S349-D352 PolarHBondContact OG-N 2.92Å; S349-D352 PolarHBondContact OG-OD2 2.88Å
350P63.4Low74.6Confident18 Ų1878 Ų7812%0.11742%0.416CS..G310 helixtrans-62.1-37175.6-21.132.7000112.7D326 V330 W341 D352 L353D326-P350 HydrophobicContact CB-CG 3.73Å; V330-P350 HydrophobicContact CG2-CB 4.42Å; V330-P350 HydrophobicContact CG2-CG 4.03Å; W341-P350 HydrophobicContact CZ2-CG 4.42Å; P350-D352 VanDerWaalsContact C-N 3.26Å; P350-D352 PolarHBondContact O-N 3.29Å; P350-L353 WeakPolarHBondContact O-CB 3.38Å; P350-L353 PolarHBondContact O-N 3.43Å; P350-L353 VanDerWaalsContact O-N 3.13Å
351E66.4Low74.6Confident144 Ų14474.4 Ų74.467%0.67340%0.402SS*.G310 helixtrans-65.7-26.6-179.5-62.3-174-177.400113.2S349 L353 K355S349-E351 VanDerWaalsContact C-N 3.31Å; S349-E351 PolarHBondContact O-N 2.89Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 2.95Å; E351-K355 WeakPolarHBondContact O-CE 3.27Å
352D66.6Low74.5Confident69 Ų6977.9 Ų77.937%0.36943%0.428SS..G310 helixtrans-79.7-9177.4-62.1-44000113.3K154 S349 P350 K355K154-D352 VanDerWaalsContact CE-O 3.3Å; K154-D352 WeakPolarHBondContact CE-O 3.36Å; S349-D352 WeakPolarHBondContact CB-OD2 3.33Å; S349-D352 PolarHBondContact O-N 3.29Å; S349-D352 PolarHBondContact OG-N 2.92Å; S349-D352 PolarHBondContact OG-OD2 2.88Å; P350-D352 VanDerWaalsContact C-N 3.26Å; P350-D352 PolarHBondContact O-N 3.29Å; D352-K355 IonicContact OD1-NZ 3.92Å; D352-K355 PolarHBondContact OD1-NZ 3Å
353L65.1Low74.5Confident4 Ų478.6 Ų78.62%0.02143%0.432CS..THydrogen-bonded Turntrans-90.7-25.4174.9-65.8173.4000112.8R153 V330 P350 E351 K355R153-L353 PolarHBondContact NH1-O 2.81Å; V330-L353 HydrophobicContact CB-CD1 4.22Å; V330-L353 HydrophobicContact CG1-CD1 4.49Å; V330-L353 HydrophobicContact CG2-CD1 3.81Å; P350-L353 WeakPolarHBondContact O-CB 3.38Å; P350-L353 PolarHBondContact O-N 3.43Å; P350-L353 VanDerWaalsContact O-N 3.13Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 2.95Å; L353-K355 VanDerWaalsContact C-N 3.34Å
354D66.5Low74.5Confident87 Ų8773.1 Ų73.147%0.46540%0.403SS..SBendtrans-84-11.5176.3-71.6-29.8000112.9R153R153-D354 IonicContact CZ-OD1 3.24Å; R153-D354 VanDerWaalsContact CZ-OD1 3.29Å; R153-D354 IonicContact NH1-OD1 2.63Å; R153-D354 PolarHBondContact NH1-OD1 3.03Å; R153-D354 IonicContact NH2-OD1 3.35Å; R153-D354 PolarHBondContact NH2-OD1 3.27Å
355K75.4Confident74.9Confident106 Ų10676.2 Ų76.246%0.46141%0.406SS..SBendtrans-80.1129169.5-64.7164.1-158158.80109.1E351 D352 L353E351-K355 WeakPolarHBondContact O-CE 3.27Å; D352-K355 IonicContact OD1-NZ 3.92Å; D352-K355 PolarHBondContact OD1-NZ 3Å; L353-K355 VanDerWaalsContact C-N 3.34Å
356G74.7Confident75.5Confident35 Ų3571.6 Ų71.636%0.36139%0.386SS..PPolyproline II helixtrans-66.3172.3170.700000112.7S158S158-G356 WeakPolarHBondContact OG-CA 3.46Å
357I80.9Confident76.3Confident26 Ų2667.1 Ų67.113%0.13337%0.369CS..PPolyproline II helixtrans-71.2144169-67.1179.3000108.9K154 I155 S158 T359 L363 F364K154-I357 HydrophobicContact CB-CD1 4.33Å; K154-I357 HydrophobicContact CB-CG1 3.68Å; I155-I357 HydrophobicContact CB-CD1 4.42Å; I155-I357 HydrophobicContact CG1-CD1 3.45Å; I155-I357 VanDerWaalsContact CG1-CD1 3.45Å; S158-I357 PolarHBondContact OG-N 3.23Å; I357-T359 PolarHBondContact O-N 3.04Å; I357-L363 HydrophobicContact CD1-CD2 3.94Å; I357-F364 HydrophobicContact CG2-CB 4.22Å
358D79.7Confident77.3Confident130 Ų13062.2 Ų62.270%0.69535%0.349SS*.PPolyproline II helixtrans-50.3126.1173.6-72.9-55.6000111.5N360 S361D358-N360 PolarHBondContact O-N 2.8Å; D358-S361 WeakPolarHBondContact O-CB 3.29Å; D358-S361 PolarHBondContact O-N 3.09Å
359T77.9Confident78.3Confident98 Ų9865.2 Ų65.260%0.60136%0.358SS*.THydrogen-bonded Turntrans-66.2-11.1-177.751.80000114.1I357 F364I357-T359 PolarHBondContact O-N 3.04Å; T359-F364 HydrophobicContact CG2-CE1 3.92Å; T359-F364 HydrophobicContact CG2-CZ 4.19Å; T359-F364 WeakPolarHBondContact O-CD1 3.43Å
360N78.3Confident79.5Confident147 Ų14765 Ų6579%0.78635%0.354SS*.THydrogen-bonded Turntrans-99.65.5173-54.8-68000112.9D358D358-N360 PolarHBondContact O-N 2.8Å
361S84.7Confident80.8Confident32 Ų3268.6 Ų68.622%0.22438%0.378CS..  trans-69.1134.9178178.30000110.8D358 L363 F364 Q365D358-S361 WeakPolarHBondContact O-CB 3.29Å; D358-S361 PolarHBondContact O-N 3.09Å; S361-L363 PolarHBondContact O-N 2.82Å; S361-L363 VanDerWaalsContact O-N 3.12Å; S361-L363 PolarHBondContact OG-N 3.29Å; S361-F364 PolarHBondContact O-N 3.06Å; S361-Q365 PolarHBondContact O-N 3.46Å
362P84.2Confident82Confident96 Ų9664.4 Ų64.462%0.62336%0.362SS*.Hα-helixtrans-54.5-31.2173.8-26.835.1000113.4A366P362-A366 WeakPolarHBondContact O-CB 3.41Å; P362-A366 PolarHBondContact O-N 3.24Å
363L85.4Confident83.1Confident23 Ų2361.1 Ų61.112%0.1234%0.344CS..Hα-helixtrans-65.3-48174.1174.461.6000111.9I357 S361 A366 I367 I415 F416 L419I357-L363 HydrophobicContact CD1-CD2 3.94Å; S361-L363 PolarHBondContact O-N 2.82Å; S361-L363 VanDerWaalsContact O-N 3.12Å; S361-L363 PolarHBondContact OG-N 3.29Å; L363-A366 PolarHBondContact O-N 3.42Å; L363-I367 HydrophobicContact CD1-CD1 3.78Å; L363-I367 HydrophobicContact CD1-CG1 4.3Å; L363-I367 HydrophobicContact CG-CD1 4.02Å; L363-I367 WeakPolarHBondContact O-CB 3.25Å; L363-I367 WeakPolarHBondContact O-CD1 3.25Å; L363-I367 WeakPolarHBondContact O-CG1 3.48Å; L363-I367 PolarHBondContact O-N 3.25Å; L363-I415 HydrophobicContact CD1-CG2 4.26Å; L363-F416 HydrophobicContact CD1-CB 4.27Å; L363-F416 HydrophobicContact CD1-CD2 4.29Å; L363-F416 HydrophobicContact CD2-CD2 3.8Å; L363-F416 HydrophobicContact CD2-CE2 4.27Å; L363-L419 HydrophobicContact CB-CD1 4.24Å; L363-L419 HydrophobicContact CD1-CD1 3.99Å
364F86.6Confident84.3Confident14 Ų1465.9 Ų65.96%0.06137%0.366CS..Hα-helixtrans-66.7-42-180-177-101.8000111.3L159 V162 I357 T359 S361 I367 L368L159-F364 HydrophobicContact CD2-CE2 4.39Å; V162-F364 HydrophobicContact CG2-CE2 4.38Å; V162-F364 HydrophobicContact CG2-CZ 3.72Å; I357-F364 HydrophobicContact CG2-CB 4.22Å; T359-F364 HydrophobicContact CG2-CE1 3.92Å; T359-F364 HydrophobicContact CG2-CZ 4.19Å; T359-F364 WeakPolarHBondContact O-CD1 3.43Å; S361-F364 PolarHBondContact O-N 3.06Å; F364-I367 PolarHBondContact O-N 2.87Å; F364-L368 HydrophobicContact CD1-CD1 3.99Å; F364-L368 HydrophobicContact CE1-CD1 3.38Å; F364-L368 HydrophobicContact CE1-CG 4.23Å; F364-L368 HydrophobicContact CE2-CD1 4.41Å; F364-L368 HydrophobicContact CZ-CD1 3.65Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 PolarHBondContact O-N 3.37Å
365Q88.1Confident85.4Confident106 Ų10667.8 Ų67.850%0.49538%0.376SS..Hα-helixtrans-62.7-48175-176.7171.8-18.600111.8S361 I367 L368 E369S361-Q365 PolarHBondContact O-N 3.46Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.09Å; Q365-L368 CarbonylContact O-C 3.6Å; Q365-L368 PolarHBondContact O-N 3.43Å; Q365-L368 VanDerWaalsContact O-N 3.11Å; Q365-E369 HydrophobicContact CG-CG 4.26Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.35Å; Q365-E369 PolarHBondContact NE2-OE1 3.23Å; Q365-E369 WeakPolarHBondContact O-CB 3.37Å; Q365-E369 WeakPolarHBondContact O-CG 3.44Å; Q365-E369 PolarHBondContact O-N 2.83Å
366A87.8Confident85.9Confident31 Ų3163.1 Ų63.126%0.25636%0.357SS..Hα-helixtrans-63.5-31.2178.500000113.4P362 L363 I415 L419P362-A366 WeakPolarHBondContact O-CB 3.41Å; P362-A366 PolarHBondContact O-N 3.24Å; L363-A366 PolarHBondContact O-N 3.42Å; A366-I415 HydrophobicContact CB-CG2 3.85Å; A366-L419 HydrophobicContact CB-CD1 3.87Å
367I89.2Confident86.6Confident2 Ų261.5 Ų61.51%0.0134%0.341CS..Hα-helixtrans-68-45.3171.7-70166.9000110.6I155 L159 L363 F364 Q365 N370 V373 I412 I415I155-I367 HydrophobicContact CD1-CD1 4.3Å; I155-I367 HydrophobicContact CG1-CD1 4.45Å; I155-I367 HydrophobicContact CG2-CD1 4.07Å; L159-I367 HydrophobicContact CD1-CG2 4.13Å; L159-I367 HydrophobicContact CD2-CG2 3.87Å; L363-I367 HydrophobicContact CD1-CD1 3.78Å; L363-I367 HydrophobicContact CD1-CG1 4.3Å; L363-I367 HydrophobicContact CG-CD1 4.02Å; L363-I367 WeakPolarHBondContact O-CB 3.25Å; L363-I367 WeakPolarHBondContact O-CD1 3.25Å; L363-I367 WeakPolarHBondContact O-CG1 3.48Å; L363-I367 PolarHBondContact O-N 3.25Å; F364-I367 PolarHBondContact O-N 2.87Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.09Å; I367-N370 WeakPolarHBondContact O-CB 3.4Å; I367-N370 PolarHBondContact O-N 3.47Å; I367-V373 HydrophobicContact CG2-CG1 3.88Å; I367-I412 HydrophobicContact CD1-CG2 4.33Å; I367-I412 HydrophobicContact CG2-CG1 4.17Å; I367-I415 HydrophobicContact CG1-CB 4.27Å; I367-I415 HydrophobicContact CG1-CD1 4.31Å; I367-I415 HydrophobicContact CG1-CG2 3.86Å
368L87.8Confident86.9Confident43 Ų4363.1 Ų63.123%0.22535%0.352CS..Hα-helixtrans-72.8-23.7178.6-70.4-173000114.2L159 V162 F364 Q365 N370 Q374 L377L159-L368 HydrophobicContact CD2-CD2 4.02Å; V162-L368 HydrophobicContact CG1-CD2 4.06Å; V162-L368 HydrophobicContact CG2-CD1 4.37Å; V162-L368 HydrophobicContact CG2-CD2 4.44Å; F364-L368 HydrophobicContact CD1-CD1 3.99Å; F364-L368 HydrophobicContact CE1-CD1 3.38Å; F364-L368 HydrophobicContact CE1-CG 4.23Å; F364-L368 HydrophobicContact CE2-CD1 4.41Å; F364-L368 HydrophobicContact CZ-CD1 3.65Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 PolarHBondContact O-N 3.37Å; Q365-L368 CarbonylContact O-C 3.6Å; Q365-L368 PolarHBondContact O-N 3.43Å; Q365-L368 VanDerWaalsContact O-N 3.11Å; L368-N370 PolarHBondContact O-N 3.02Å; L368-Q374 VanDerWaalsContact O-CG 3.23Å; L368-Q374 WeakPolarHBondContact O-CG 3.38Å; L368-Q374 PolarHBondContact O-NE2 3.49Å; L368-L377 HydrophobicContact CD2-CD1 3.75Å
369E89.9Confident87.3Confident125 Ų12559 Ų5958%0.58433%0.329SS*.THydrogen-bonded Turntrans-74-12.2173-75.9176.7-178.400112.8Q365Q365-E369 HydrophobicContact CG-CG 4.26Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.35Å; Q365-E369 PolarHBondContact NE2-OE1 3.23Å; Q365-E369 WeakPolarHBondContact O-CB 3.37Å; Q365-E369 WeakPolarHBondContact O-CG 3.44Å; Q365-E369 PolarHBondContact O-N 2.83Å
370N91.9Very high87.7Confident29 Ų2954.7 Ų54.716%0.15530%0.303CS..  trans-81.3120.3-179.9-168.7-62.4000112I367 L368 V372 V373 Q374 I415I367-N370 WeakPolarHBondContact O-CB 3.4Å; I367-N370 PolarHBondContact O-N 3.47Å; L368-N370 PolarHBondContact O-N 3.02Å; N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 3Å; N370-V372 WeakPolarHBondContact OD1-CB 3.33Å; N370-V372 PolarHBondContact OD1-N 3.17Å; N370-V373 HydrophobicContact CB-CB 4.23Å; N370-V373 HydrophobicContact CB-CG2 3.92Å; N370-V373 PolarHBondContact O-N 3.33Å; N370-V373 VanDerWaalsContact O-N 3.11Å; N370-V373 PolarHBondContact OD1-N 3.3Å; N370-Q374 PolarHBondContact O-N 3.14Å; N370-I415 HydrophobicContact CB-CD1 3.95Å
371P90.4Very high88Confident94 Ų9448.9 Ų48.961%0.6127%0.271SS*.Hα-helixtrans-68.4-25.2-17527.4-35.4000113.8L375P371-L375 WeakPolarHBondContact O-CB 3.43Å; P371-L375 PolarHBondContact O-N 3.48Å
372V90.1Very high88.2Confident56 Ų5647.4 Ų47.434%0.33926%0.261SS..Hα-helixtrans-69.1-39.7174.3-175.90000109.9N370 G376 Q411N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 3Å; N370-V372 WeakPolarHBondContact OD1-CB 3.33Å; N370-V372 PolarHBondContact OD1-N 3.17Å; V372-G376 PolarHBondContact O-N 2.98Å; V372-Q411 HydrophobicContact CB-CG 4.25Å; V372-Q411 HydrophobicContact CG1-CG 4.26Å
373V90.9Very high88.3Confident0 Ų042.9 Ų42.90%023%0.231CC..Hα-helixtrans-69.9-46.3176.3-175.90000110.5I367 N370 L375 G376 L377 V408 Q411 I412I367-V373 HydrophobicContact CG2-CG1 3.88Å; N370-V373 HydrophobicContact CB-CB 4.23Å; N370-V373 HydrophobicContact CB-CG2 3.92Å; N370-V373 PolarHBondContact O-N 3.33Å; N370-V373 VanDerWaalsContact O-N 3.11Å; N370-V373 PolarHBondContact OD1-N 3.3Å; V373-L375 VanDerWaalsContact C-N 3.31Å; V373-L375 PolarHBondContact O-N 3.12Å; V373-G376 PolarHBondContact O-N 3.25Å; V373-G376 VanDerWaalsContact O-N 3.12Å; V373-L377 HydrophobicContact CG1-CD1 4.1Å; V373-L377 HydrophobicContact CG1-CG 4.22Å; V373-L377 VanDerWaalsContact O-CG 3.3Å; V373-L377 WeakPolarHBondContact O-CG 3.25Å; V373-L377 PolarHBondContact O-N 3.24Å; V373-V408 HydrophobicContact CB-CG1 4.47Å; V373-V408 HydrophobicContact CG1-CG1 4.27Å; V373-V408 HydrophobicContact CG2-CG1 4.31Å; V373-Q411 HydrophobicContact CG2-CB 4.24Å; V373-I412 HydrophobicContact CG1-CG1 4.47Å; V373-I412 HydrophobicContact CG2-CG1 4.07Å
374Q90.1Very high88.3Confident104 Ų10442.6 Ų42.649%0.48623%0.23SC..Hα-helixtrans-53.6-46.5175.2-70.2-175.5-2.700112.4L368 N370 L377 T378L368-Q374 VanDerWaalsContact O-CG 3.23Å; L368-Q374 WeakPolarHBondContact O-CG 3.38Å; L368-Q374 PolarHBondContact O-NE2 3.49Å; N370-Q374 PolarHBondContact O-N 3.14Å; Q374-L377 PolarHBondContact O-N 3.33Å; Q374-T378 PolarHBondContact O-N 3.19Å
375L88.9Confident88.3Confident127 Ų12742 Ų4267%0.66523%0.227SC*.Hα-helixtrans-64.4-42.5178.1-173.361.8000111.5P371 V373 L377 T378P371-L375 WeakPolarHBondContact O-CB 3.43Å; P371-L375 PolarHBondContact O-N 3.48Å; V373-L375 VanDerWaalsContact C-N 3.31Å; V373-L375 PolarHBondContact O-N 3.12Å; L375-L377 PolarHBondContact O-N 2.87Å; L375-T378 PolarHBondContact O-N 3.35Å; L375-T378 VanDerWaalsContact O-N 3.12Å; L375-T378 PolarHBondContact O-OG1 3.25Å
376G86.8Confident88.3Confident7 Ų737 Ų377%0.07220%0.204CC..Hα-helixtrans-57.1-44.5173.100000113.4V372 V373 T378 N379 T382V372-G376 PolarHBondContact O-N 2.98Å; V373-G376 PolarHBondContact O-N 3.25Å; V373-G376 VanDerWaalsContact O-N 3.12Å; G376-T378 PolarHBondContact O-N 3.3Å; G376-N379 PolarHBondContact O-N 3.05Å; G376-T382 VanDerWaalsContact O-CB 3.29Å; G376-T382 WeakPolarHBondContact O-CB 3.46Å
377L88.6Confident88Confident2 Ų235.8 Ų35.81%0.0119%0.193CC..THydrogen-bonded Turntrans-64.7-10.9178.2-62.4171.2000113.9L159 V162 A163 L166 L368 V373 Q374 L375 F386L159-L377 HydrophobicContact CB-CD2 3.94Å; L159-L377 HydrophobicContact CD2-CD1 4.28Å; L159-L377 HydrophobicContact CD2-CD2 4.33Å; V162-L377 HydrophobicContact CG1-CD1 4.13Å; A163-L377 HydrophobicContact CB-CB 4Å; A163-L377 HydrophobicContact CB-CD2 3.81Å; A163-L377 HydrophobicContact CB-CG 4.48Å; A163-L377 WeakPolarHBondContact CB-O 3.45Å; L166-L377 HydrophobicContact CD1-CB 3.92Å; L368-L377 HydrophobicContact CD2-CD1 3.75Å; V373-L377 HydrophobicContact CG1-CD1 4.1Å; V373-L377 HydrophobicContact CG1-CG 4.22Å; V373-L377 VanDerWaalsContact O-CG 3.3Å; V373-L377 WeakPolarHBondContact O-CG 3.25Å; V373-L377 PolarHBondContact O-N 3.24Å; Q374-L377 PolarHBondContact O-N 3.33Å; L375-L377 PolarHBondContact O-N 2.87Å; L377-F386 HydrophobicContact CD2-CE2 3.91Å
378T88.1Confident87.6Confident59 Ų5937.6 Ų37.636%0.36220%0.202SC..THydrogen-bonded Turntrans-95.6-4.1172.3650000114.2L167 Q374 L375 G376L167-T378 WeakPolarHBondContact CD2-O 3.19Å; Q374-T378 PolarHBondContact O-N 3.19Å; L375-T378 PolarHBondContact O-N 3.35Å; L375-T378 VanDerWaalsContact O-N 3.12Å; L375-T378 PolarHBondContact O-OG1 3.25Å; G376-T378 PolarHBondContact O-N 3.3Å
379N88.1Confident87.3Confident43 Ų4335.9 Ų35.923%0.2319%0.194CC..  trans-97.4123.1174.1-176.8-4.5000110.3G376 K381 T382 L383 E404G376-N379 PolarHBondContact O-N 3.05Å; N379-K381 VanDerWaalsContact C-N 3.27Å; N379-K381 PolarHBondContact O-N 2.81Å; N379-K381 WeakPolarHBondContact OD1-CB 3.43Å; N379-K381 PolarHBondContact OD1-N 3.22Å; N379-T382 PolarHBondContact O-N 3.5Å; N379-L383 PolarHBondContact O-N 2.66Å; N379-E404 PolarHBondContact ND2-OE2 3.29Å
380P85.4Confident86.8Confident8 Ų830.1 Ų30.15%0.05217%0.167CC..Hα-helixtrans-63.9-26.317527.4-36.1000113.8L176 F177 A180 T382 L383 L384L176-P380 HydrophobicContact CB-CG 3.88Å; F177-P380 HydrophobicContact CD1-CB 3.58Å; F177-P380 HydrophobicContact CE1-CB 3.49Å; F177-P380 VanDerWaalsContact CE1-CB 3.49Å; F177-P380 HydrophobicContact CG-CB 4.13Å; F177-P380 HydrophobicContact CZ-CB 3.98Å; A180-P380 HydrophobicContact CB-CB 4.08Å; A180-P380 HydrophobicContact CB-CG 3.92Å; P380-T382 VanDerWaalsContact C-N 3.28Å; P380-T382 PolarHBondContact O-N 3.08Å; P380-L383 PolarHBondContact O-N 2.8Å; P380-L383 VanDerWaalsContact O-N 3.13Å; P380-L384 WeakPolarHBondContact O-CG 3.5Å; P380-L384 PolarHBondContact O-N 2.99Å
381K85.7Confident86Confident25 Ų2529.6 Ų29.611%0.10916%0.163CC..Hα-helixtrans-58.8-44.1174-160.4-171.6-168.1-171.70110.2L184 D187 N379 L383 L384 A385 D402L184-K381 HydrophobicContact CD2-CD 4.31Å; L184-K381 HydrophobicContact CD2-CG 4.02Å; D187-K381 IonicContact OD2-NZ 2.8Å; D187-K381 PolarHBondContact OD2-NZ 3.05Å; N379-K381 VanDerWaalsContact C-N 3.27Å; N379-K381 PolarHBondContact O-N 2.81Å; N379-K381 WeakPolarHBondContact OD1-CB 3.43Å; N379-K381 PolarHBondContact OD1-N 3.22Å; K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 3.31Å; K381-L384 PolarHBondContact O-N 3.27Å; K381-A385 WeakPolarHBondContact O-CB 3.32Å; K381-A385 PolarHBondContact O-N 2.88Å; K381-D402 IonicContact NZ-OD1 3.56Å; K381-D402 PolarHBondContact NZ-OD1 3.41Å
382T88.6Confident85.2Confident1 Ų127.4 Ų27.41%0.00615%0.146CC..Hα-helixtrans-66.4-32.2176.3-52.80000112.6G376 N379 P380 F386 T405 V408G376-T382 VanDerWaalsContact O-CB 3.29Å; G376-T382 WeakPolarHBondContact O-CB 3.46Å; N379-T382 PolarHBondContact O-N 3.5Å; P380-T382 VanDerWaalsContact C-N 3.28Å; P380-T382 PolarHBondContact O-N 3.08Å; T382-F386 HydrophobicContact CG2-CD1 4.36Å; T382-F386 HydrophobicContact CG2-CD2 4.5Å; T382-F386 HydrophobicContact CG2-CE1 3.83Å; T382-F386 HydrophobicContact CG2-CE2 3.99Å; T382-F386 HydrophobicContact CG2-CZ 3.63Å; T382-F386 WeakPolarHBondContact O-CB 3.45Å; T382-F386 WeakPolarHBondContact O-CD1 3.41Å; T382-F386 WeakPolarHBondContact O-CG 3.39Å; T382-F386 PolarHBondContact O-N 2.96Å; T382-T405 HydrophobicContact CG2-CG2 4.44Å; T382-V408 HydrophobicContact CG2-CG1 4.45Å
383L87.3Confident84.3Confident2 Ų225.8 Ų25.81%0.0114%0.137CC..Hα-helixtrans-66.5-47.8172.9-17271.3000111.8I160 A163 Q164 L167 F177 F295 I298 N379 P380 K381 A385 F386 E387I160-L383 HydrophobicContact CB-CD1 4.09Å; I160-L383 HydrophobicContact CG1-CD1 3.99Å; I160-L383 HydrophobicContact CG2-CD1 3.97Å; A163-L383 HydrophobicContact CB-CD1 3.64Å; Q164-L383 HydrophobicContact CG-CD1 4.32Å; Q164-L383 HydrophobicContact CG-CD2 3.98Å; L167-L383 HydrophobicContact CD1-CB 4.21Å; L167-L383 HydrophobicContact CD1-CD2 4.04Å; F177-L383 HydrophobicContact CE1-CD2 3.8Å; F177-L383 HydrophobicContact CZ-CD2 3.55Å; F295-L383 HydrophobicContact CE1-CD2 4.05Å; I298-L383 HydrophobicContact CD1-CD2 4.46Å; N379-L383 PolarHBondContact O-N 2.66Å; P380-L383 PolarHBondContact O-N 2.8Å; P380-L383 VanDerWaalsContact O-N 3.13Å; K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 3.31Å; L383-A385 VanDerWaalsContact C-N 3.31Å; L383-A385 PolarHBondContact O-N 2.8Å; L383-F386 PolarHBondContact O-N 3.39Å; L383-E387 PolarHBondContact O-N 2.97Å
384L84.7Confident83.3Confident17 Ų1731.3 Ų31.39%0.08917%0.166CC..Hα-helixtrans-65.2-36.7180-65.7163.4000111.1F177 A180 N181 L184 I298 P380 K381 E387 D388F177-L384 HydrophobicContact CD1-CD1 4.47Å; A180-L384 HydrophobicContact CB-CD1 3.73Å; N181-L384 WeakPolarHBondContact OD1-CD1 3.27Å; N181-L384 WeakPolarHBondContact OD1-CD2 3.32Å; L184-L384 HydrophobicContact CD1-CB 3.75Å; L184-L384 HydrophobicContact CD1-CD1 4Å; L184-L384 HydrophobicContact CD1-CG 4.49Å; I298-L384 HydrophobicContact CD1-CD2 4.43Å; P380-L384 WeakPolarHBondContact O-CG 3.5Å; P380-L384 PolarHBondContact O-N 2.99Å; K381-L384 PolarHBondContact O-N 3.27Å; L384-E387 WeakPolarHBondContact O-CB 3.15Å; L384-E387 PolarHBondContact O-N 3.14Å; L384-D388 WeakPolarHBondContact O-CB 3.41Å; L384-D388 PolarHBondContact O-N 3.34Å
385A86.2Confident82.5Confident0 Ų028.2 Ų28.20%015%0.153CC..Hα-helixtrans-61.8-45.817100000112.6K381 L383 E387 D388 M389 W399 T405K381-A385 WeakPolarHBondContact O-CB 3.32Å; K381-A385 PolarHBondContact O-N 2.88Å; L383-A385 VanDerWaalsContact C-N 3.31Å; L383-A385 PolarHBondContact O-N 2.8Å; A385-E387 VanDerWaalsContact C-N 3.26Å; A385-E387 PolarHBondContact O-N 3.01Å; A385-D388 PolarHBondContact O-N 2.88Å; A385-M389 WeakPolarHBondContact O-CB 3.32Å; A385-M389 WeakPolarHBondContact O-CG 3.41Å; A385-M389 PolarHBondContact O-N 2.9Å; A385-W399 HydrophobicContact CB-CD2 3.42Å; A385-W399 VanDerWaalsContact CB-CD2 3.42Å; A385-W399 HydrophobicContact CB-CE3 3.32Å; A385-W399 HydrophobicContact CB-CG 4.02Å; A385-W399 HydrophobicContact CB-CH2 3.87Å; A385-W399 HydrophobicContact CB-CZ2 4.01Å; A385-W399 HydrophobicContact CB-CZ3 3.55Å; A385-T405 HydrophobicContact CB-CG2 3.61Å
386F87.8Confident81.9Confident1 Ų122.6 Ų22.60%0.00412%0.124CC..Hα-helixtrans-65.8-29.7176.6-69.7-4.2000112.5L156 L159 I160 L377 T382 L383 L390 T405 V408 M409 I412L156-F386 HydrophobicContact CD2-CB 3.85Å; L156-F386 HydrophobicContact CD2-CD1 3.53Å; L156-F386 HydrophobicContact CD2-CD2 4.07Å; L156-F386 HydrophobicContact CD2-CE1 4.03Å; L156-F386 HydrophobicContact CD2-CG 3.55Å; L156-F386 HydrophobicContact CD2-CZ 4.49Å; L159-F386 HydrophobicContact CB-CD2 4.26Å; L159-F386 HydrophobicContact CB-CE2 4.09Å; L159-F386 HydrophobicContact CD1-CE2 4.03Å; L159-F386 HydrophobicContact CD1-CZ 4.47Å; I160-F386 HydrophobicContact CD1-CB 3.95Å; I160-F386 HydrophobicContact CG1-CB 3.74Å; I160-F386 HydrophobicContact CG1-CD2 4.48Å; L377-F386 HydrophobicContact CD2-CE2 3.91Å; T382-F386 HydrophobicContact CG2-CD1 4.36Å; T382-F386 HydrophobicContact CG2-CD2 4.5Å; T382-F386 HydrophobicContact CG2-CE1 3.83Å; T382-F386 HydrophobicContact CG2-CE2 3.99Å; T382-F386 HydrophobicContact CG2-CZ 3.63Å; T382-F386 WeakPolarHBondContact O-CB 3.45Å; T382-F386 WeakPolarHBondContact O-CD1 3.41Å; T382-F386 WeakPolarHBondContact O-CG 3.39Å; T382-F386 PolarHBondContact O-N 2.96Å; L383-F386 PolarHBondContact O-N 3.39Å; F386-L390 WeakPolarHBondContact O-CG 3.4Å; F386-L390 PolarHBondContact O-N 3.46Å; F386-T405 HydrophobicContact CE1-CG2 4.39Å; F386-V408 HydrophobicContact CZ-CG1 3.86Å; F386-M409 HydrophobicContact CD1-SD 4.35Å; F386-M409 HydrophobicContact CE1-CG 4.24Å; F386-M409 HydrophobicContact CE1-SD 3.77Å; F386-I412 HydrophobicContact CZ-CD1 3.92Å
387E82.2Confident81.4Confident6 Ų626.7 Ų26.73%0.02815%0.148CC..Hα-helixtrans-70.1-49.3172.9177.1-175168.300111.9I298 K301 L383 L384 A385 M389 L390 E391I298-E387 WeakPolarHBondContact CA-OE1 3.42Å; I298-E387 VanDerWaalsContact CG1-OE2 3.24Å; I298-E387 WeakPolarHBondContact CG1-OE2 3.28Å; I298-E387 HydrophobicContact CG2-CG 4.3Å; I298-E387 VanDerWaalsContact CG2-OE2 3.23Å; I298-E387 WeakPolarHBondContact CG2-OE2 3.33Å; K301-E387 VanDerWaalsContact CB-OE1 3.28Å; K301-E387 WeakPolarHBondContact CB-OE1 3.28Å; K301-E387 WeakPolarHBondContact CD-OE1 3.48Å; L383-E387 PolarHBondContact O-N 2.97Å; L384-E387 WeakPolarHBondContact O-CB 3.15Å; L384-E387 PolarHBondContact O-N 3.14Å; A385-E387 VanDerWaalsContact C-N 3.26Å; A385-E387 PolarHBondContact O-N 3.01Å; E387-M389 VanDerWaalsContact C-N 3.32Å; E387-M389 PolarHBondContact O-N 2.89Å; E387-L390 CarbonylContact O-C 3.59Å; E387-L390 WeakPolarHBondContact O-CA 3.26Å; E387-L390 WeakPolarHBondContact O-CB 3.27Å; E387-L390 PolarHBondContact O-N 3.4Å; E387-E391 PolarHBondContact O-N 3.37Å
388D80.7Confident81.1Confident40 Ų4029.7 Ų29.721%0.21416%0.162CC..Hα-helixtrans-62.1-39.1176.5177.567.4000111.9L384 A385 L390 E391 N392 N395 W399L384-D388 WeakPolarHBondContact O-CB 3.41Å; L384-D388 PolarHBondContact O-N 3.34Å; A385-D388 PolarHBondContact O-N 2.88Å; D388-L390 PolarHBondContact O-N 2.85Å; D388-E391 PolarHBondContact O-N 3.32Å; D388-E391 VanDerWaalsContact O-N 3.13Å; D388-N392 PolarHBondContact O-N 2.9Å; D388-N395 VanDerWaalsContact CG-ND2 3.28Å; D388-N395 PolarHBondContact OD1-ND2 2.75Å; D388-N395 WeakPolarHBondContact OD2-CB 3.27Å; D388-N395 PolarHBondContact OD2-ND2 2.75Å; D388-W399 HydrophobicContact CB-CZ2 4.45Å; D388-W399 PolarHBondContact OD2-NE1 3.23Å
389M82.3Confident80.9Confident8 Ų827.2 Ų27.24%0.03915%0.146CC..Hα-helixtrans-63.7-17.5171.1-71.3179.262.300114.4L152 L156 A385 E387 S396 W399 M409L152-M389 HydrophobicContact CD2-CE 4.19Å; L156-M389 HydrophobicContact CD1-CB 3.86Å; L156-M389 HydrophobicContact CD1-CE 4.18Å; A385-M389 WeakPolarHBondContact O-CB 3.32Å; A385-M389 WeakPolarHBondContact O-CG 3.41Å; A385-M389 PolarHBondContact O-N 2.9Å; E387-M389 VanDerWaalsContact C-N 3.32Å; E387-M389 PolarHBondContact O-N 2.89Å; M389-S396 VanDerWaalsContact CE-OG 3.22Å; M389-S396 WeakPolarHBondContact CE-OG 3.45Å; M389-W399 HydrophobicContact CG-CB 4.19Å; M389-W399 HydrophobicContact CG-CG 4.07Å; M389-W399 HydrophobicContact SD-CB 3.63Å; M389-W399 HydrophobicContact SD-CG 4.1Å; M389-M409 HydrophobicContact CE-CE 3.43Å; M389-M409 VanDerWaalsContact CE-CE 3.43Å; M389-M409 HydrophobicContact CE-CG 4.43Å; M389-M409 HydrophobicContact CE-SD 3.7Å; M389-M409 HydrophobicContact SD-CE 4.48Å; M389-M409 HydrophobicContact SD-CG 4.35Å; M389-M409 HydrophobicContact SD-SD 4.05Å
390L77.7Confident80.7Confident3 Ų328.5 Ų28.52%0.01615%0.151CC..Hα-helixtrans-92.3-30.4170.4-73.8-175.5000113.1R153 L156 V157 I160 R302 F386 E387 D388R153-L390 HydrophobicContact CB-CD2 4.29Å; R153-L390 HydrophobicContact CG-CD2 3.37Å; L156-L390 HydrophobicContact CB-CD1 4.37Å; L156-L390 HydrophobicContact CB-CD2 3.89Å; L156-L390 HydrophobicContact CB-CG 4.05Å; L156-L390 HydrophobicContact CD1-CD2 4.15Å; L156-L390 HydrophobicContact CD1-CG 4.4Å; V157-L390 HydrophobicContact CG2-CD1 3.82Å; V157-L390 HydrophobicContact CG2-CD2 4.23Å; I160-L390 HydrophobicContact CD1-CD1 3.4Å; I160-L390 HydrophobicContact CD1-CG 4.23Å; R302-L390 HydrophobicContact CG-CD1 4.45Å; F386-L390 WeakPolarHBondContact O-CG 3.4Å; F386-L390 PolarHBondContact O-N 3.46Å; E387-L390 CarbonylContact O-C 3.59Å; E387-L390 WeakPolarHBondContact O-CA 3.26Å; E387-L390 WeakPolarHBondContact O-CB 3.27Å; E387-L390 PolarHBondContact O-N 3.4Å; D388-L390 PolarHBondContact O-N 2.85Å
391E76.2Confident80.6Confident19 Ų1934.7 Ų34.79%0.08918%0.184CC..Hα-helixtrans-74.3-42.7176-169.3169.9176.300110.7K301 R305 E387 D388K301-E391 WeakPolarHBondContact O-CG 3.17Å; R305-E391 HydrophobicContact CG-CG 4.24Å; R305-E391 IonicContact CZ-OE1 2.68Å; R305-E391 IonicContact NE-OE1 3.31Å; R305-E391 PolarHBondContact NE-OE1 3.22Å; R305-E391 IonicContact NH2-OE1 3.42Å; R305-E391 PolarHBondContact NH2-OE1 3.05Å; E387-E391 PolarHBondContact O-N 3.37Å; D388-E391 PolarHBondContact O-N 3.32Å; D388-E391 VanDerWaalsContact O-N 3.13Å
392N73.3Confident80.6Confident47 Ų4733.8 Ų33.825%0.25118%0.18SC..  trans-136.5103.6175.1-176.611.3000112.9D388 L394 N395D388-N392 PolarHBondContact O-N 2.9Å; N392-L394 PolarHBondContact O-N 3.38Å; N392-L394 WeakPolarHBondContact OD1-CB 3.49Å; N392-L394 PolarHBondContact OD1-N 3.34Å; N392-L394 VanDerWaalsContact OD1-N 3.12Å; N392-N395 PolarHBondContact ND2-OD1 3.45Å; N392-N395 PolarHBondContact O-N 3.47Å; N392-N395 VanDerWaalsContact O-N 3.11Å
393P70.8Confident80.4Confident22 Ų2239 Ų3914%0.14321%0.214CC..G310 helixtrans-58.9-20.4177.4-27.136.1000115.7N332 N395 S396N332-P393 HydrophobicContact CB-CB 3.92Å; N332-P393 HydrophobicContact CB-CG 4Å; P393-N395 VanDerWaalsContact C-N 3.29Å; P393-N395 PolarHBondContact O-N 3.3Å; P393-S396 WeakPolarHBondContact O-CB 3.31Å; P393-S396 PolarHBondContact O-N 3.46Å
394L69.4Low80.2Confident117 Ų11743.8 Ų43.861%0.61324%0.236SC*.G310 helixtrans-66.1-32.5177.3-62171.9000111.9N392 S396 T397N392-L394 PolarHBondContact O-N 3.38Å; N392-L394 WeakPolarHBondContact OD1-CB 3.49Å; N392-L394 PolarHBondContact OD1-N 3.34Å; N392-L394 VanDerWaalsContact OD1-N 3.12Å; L394-S396 PolarHBondContact O-N 2.94Å; L394-S396 VanDerWaalsContact O-N 3.13Å; L394-T397 PolarHBondContact O-OG1 3.18Å
395N73.8Confident80.3Confident38 Ų3843 Ų4320%0.20323%0.232CC..G310 helixtrans-69.6-9.7180-63.82.4000112.4D388 N392 P393 T397 Q398 W399D388-N395 VanDerWaalsContact CG-ND2 3.28Å; D388-N395 PolarHBondContact OD1-ND2 2.75Å; D388-N395 WeakPolarHBondContact OD2-CB 3.27Å; D388-N395 PolarHBondContact OD2-ND2 2.75Å; N392-N395 PolarHBondContact ND2-OD1 3.45Å; N392-N395 PolarHBondContact O-N 3.47Å; N392-N395 VanDerWaalsContact O-N 3.11Å; P393-N395 VanDerWaalsContact C-N 3.29Å; P393-N395 PolarHBondContact O-N 3.3Å; N395-T397 PolarHBondContact O-N 3.48Å; N395-T397 VanDerWaalsContact O-N 3.07Å; N395-Q398 WeakPolarHBondContact O-CB 3.36Å; N395-Q398 PolarHBondContact O-N 3.49Å; N395-Q398 VanDerWaalsContact O-N 3.1Å; N395-W399 PolarHBondContact O-N 3.1Å; N395-W399 VanDerWaalsContact O-N 3.09Å
396S76.7Confident80.4Confident9 Ų943 Ų436%0.06323%0.233CC..Hα-helixtrans-56-23.7175.1179.60000114.2M389 P393 L394 M400M389-S396 VanDerWaalsContact CE-OG 3.22Å; M389-S396 WeakPolarHBondContact CE-OG 3.45Å; P393-S396 WeakPolarHBondContact O-CB 3.31Å; P393-S396 PolarHBondContact O-N 3.46Å; L394-S396 PolarHBondContact O-N 2.94Å; L394-S396 VanDerWaalsContact O-N 3.13Å; S396-M400 WeakPolarHBondContact O-CB 3.34Å; S396-M400 PolarHBondContact O-N 2.88Å
397T77.1Confident80.5Confident93 Ų9345.9 Ų45.957%0.57125%0.251SS*.Hα-helixtrans-80.2-41.917653.30000111.7L394 N395 M400 N401L394-T397 PolarHBondContact O-OG1 3.18Å; N395-T397 PolarHBondContact O-N 3.48Å; N395-T397 VanDerWaalsContact O-N 3.07Å; T397-M400 PolarHBondContact O-N 3.04Å; T397-N401 PolarHBondContact O-N 3.47Å; T397-N401 PolarHBondContact O-ND2 2.86Å
398Q80.7Confident81Confident65 Ų6545.8 Ų45.830%0.30425%0.251SS..Hα-helixtrans-56.4-52.2173.2167.6171.1-26.300110.9N395 M400 N401 D402N395-Q398 WeakPolarHBondContact O-CB 3.36Å; N395-Q398 PolarHBondContact O-N 3.49Å; N395-Q398 VanDerWaalsContact O-N 3.1Å; Q398-M400 VanDerWaalsContact C-N 3.27Å; Q398-M400 PolarHBondContact O-N 2.88Å; Q398-N401 PolarHBondContact O-N 3.4Å; Q398-D402 PolarHBondContact O-N 2.8Å
399W84.5Confident81.3Confident7 Ų744 Ų443%0.02724%0.241CC..Hα-helixtrans-68.7-21.1-179.9-67.9112.5000114.9L184 A385 D388 M389 N395 N401 D402 T405 G406L184-W399 HydrophobicContact CD1-CH2 3.96Å; L184-W399 HydrophobicContact CD2-CH2 3.59Å; L184-W399 HydrophobicContact CD2-CZ3 4.27Å; L184-W399 HydrophobicContact CG-CH2 4.44Å; A385-W399 HydrophobicContact CB-CD2 3.42Å; A385-W399 VanDerWaalsContact CB-CD2 3.42Å; A385-W399 HydrophobicContact CB-CE3 3.32Å; A385-W399 HydrophobicContact CB-CG 4.02Å; A385-W399 HydrophobicContact CB-CH2 3.87Å; A385-W399 HydrophobicContact CB-CZ2 4.01Å; A385-W399 HydrophobicContact CB-CZ3 3.55Å; D388-W399 HydrophobicContact CB-CZ2 4.45Å; D388-W399 PolarHBondContact OD2-NE1 3.23Å; M389-W399 HydrophobicContact CG-CB 4.19Å; M389-W399 HydrophobicContact CG-CG 4.07Å; M389-W399 HydrophobicContact SD-CB 3.63Å; M389-W399 HydrophobicContact SD-CG 4.1Å; N395-W399 PolarHBondContact O-N 3.1Å; N395-W399 VanDerWaalsContact O-N 3.09Å; W399-N401 VanDerWaalsContact C-N 3.28Å; W399-D402 HydrophobicContact CE3-CB 4.1Å; W399-T405 HydrophobicContact CB-CG2 4.34Å; W399-T405 HydrophobicContact CE3-CG2 4.3Å; W399-G406 WeakPolarHBondContact O-CA 3.32Å; W399-G406 PolarHBondContact O-N 2.81Å
400M83.7Confident81.6Confident70 Ų7047.7 Ų47.735%0.34526%0.261SS..Hα-helixtrans-77.2-16.7173-169.9155.952.400112.7S396 T397 Q398 G406 L410S396-M400 WeakPolarHBondContact O-CB 3.34Å; S396-M400 PolarHBondContact O-N 2.88Å; T397-M400 PolarHBondContact O-N 3.04Å; Q398-M400 VanDerWaalsContact C-N 3.27Å; Q398-M400 PolarHBondContact O-N 2.88Å; M400-G406 WeakPolarHBondContact O-CA 3.35Å; M400-L410 HydrophobicContact CG-CD2 4.03Å; M400-L410 HydrophobicContact CG-CG 4.21Å; M400-L410 HydrophobicContact SD-CD2 3.86Å
401N83.2Confident82.2Confident138 Ų13849.8 Ų49.874%0.73827%0.271SS*.Hα-helixtrans-96.7-14.6174-65-31.2000113.5T397 Q398 W399T397-N401 PolarHBondContact O-N 3.47Å; T397-N401 PolarHBondContact O-ND2 2.86Å; Q398-N401 PolarHBondContact O-N 3.4Å; W399-N401 VanDerWaalsContact C-N 3.28Å
402D85.6Confident82.8Confident7 Ų748.9 Ų48.94%0.03727%0.267CS..SBendtrans-63.7134.5176.3173.187.8000111.2K381 Q398 W399 E404 T405 G406K381-D402 IonicContact NZ-OD1 3.56Å; K381-D402 PolarHBondContact NZ-OD1 3.41Å; Q398-D402 PolarHBondContact O-N 2.8Å; W399-D402 HydrophobicContact CE3-CB 4.1Å; D402-E404 VanDerWaalsContact C-N 3.3Å; D402-E404 PolarHBondContact O-N 3.4Å; D402-E404 PolarHBondContact OD2-N 3.29Å; D402-E404 VanDerWaalsContact OD2-N 3.09Å; D402-T405 VanDerWaalsContact OD2-CB 3.27Å; D402-T405 WeakPolarHBondContact OD2-CB 3.28Å; D402-T405 PolarHBondContact OD2-N 3.11Å; D402-T405 PolarHBondContact OD2-OG1 3.45Å; D402-G406 WeakPolarHBondContact O-CA 3.37Å; D402-G406 PolarHBondContact O-N 3.24Å
403P84.1Confident83.5Confident109 Ų10947.3 Ų47.371%0.70826%0.259SS*.THydrogen-bonded Turntrans-69.9-20.2-171.626.8-35.8000114.8P407P403-P407 WeakPolarHBondContact O-CG 3.4Å
404E83.3Confident84.3Confident103 Ų10352.8 Ų52.848%0.48128%0.277SS..THydrogen-bonded Turntrans-94-41.2176.5-58.8-165.1151.300111.6N379 D402N379-E404 PolarHBondContact ND2-OE2 3.29Å; D402-E404 VanDerWaalsContact C-N 3.3Å; D402-E404 PolarHBondContact O-N 3.4Å; D402-E404 PolarHBondContact OD2-N 3.29Å; D402-E404 VanDerWaalsContact OD2-N 3.09Å
405T87.6Confident85.1Confident0 Ų048.2 Ų48.20%025%0.253CS..THydrogen-bonded Turntrans-90.3-38.6-171.3-49.30000112.7T382 A385 F386 W399 D402 V408 M409T382-T405 HydrophobicContact CG2-CG2 4.44Å; A385-T405 HydrophobicContact CB-CG2 3.61Å; F386-T405 HydrophobicContact CE1-CG2 4.39Å; W399-T405 HydrophobicContact CB-CG2 4.34Å; W399-T405 HydrophobicContact CE3-CG2 4.3Å; D402-T405 VanDerWaalsContact OD2-CB 3.27Å; D402-T405 WeakPolarHBondContact OD2-CB 3.28Å; D402-T405 PolarHBondContact OD2-N 3.11Å; D402-T405 PolarHBondContact OD2-OG1 3.45Å; T405-V408 WeakPolarHBondContact O-CB 3.36Å; T405-V408 PolarHBondContact O-N 2.9Å; T405-M409 HydrophobicContact CG2-CG 4.37Å; T405-M409 PolarHBondContact O-N 3.47Å
406G87.6Confident85.7Confident2 Ų247 Ų472%0.02125%0.246CC..Hα-helixtrans-55-45.8-18000000113.8W399 M400 D402 V408 M409 L410W399-G406 WeakPolarHBondContact O-CA 3.32Å; W399-G406 PolarHBondContact O-N 2.81Å; M400-G406 WeakPolarHBondContact O-CA 3.35Å; D402-G406 WeakPolarHBondContact O-CA 3.37Å; D402-G406 PolarHBondContact O-N 3.24Å; G406-V408 VanDerWaalsContact C-N 3.26Å; G406-V408 PolarHBondContact O-N 3.32Å; G406-M409 PolarHBondContact O-N 3.15Å; G406-L410 WeakPolarHBondContact O-CB 3.23Å; G406-L410 VanDerWaalsContact O-CG 3.26Å; G406-L410 WeakPolarHBondContact O-CG 3.49Å; G406-L410 PolarHBondContact O-N 3.43Å
407P91.1Very high86.1Confident60 Ų6051.2 Ų51.239%0.3927%0.265SS..Hα-helixtrans-57.3-36.1174.1-27.236.2000113.8P403 Q411P403-P407 WeakPolarHBondContact O-CG 3.4Å; P407-Q411 VanDerWaalsContact O-CG 3.25Å; P407-Q411 WeakPolarHBondContact O-CG 3.38Å; P407-Q411 PolarHBondContact O-N 2.86Å
408V90.9Very high86.4Confident4 Ų450.8 Ų50.82%0.02426%0.262CS..Hα-helixtrans-69.6-49.9177.7-177.40000110.1V373 T382 F386 T405 G406 L410 Q411 I412V373-V408 HydrophobicContact CB-CG1 4.47Å; V373-V408 HydrophobicContact CG1-CG1 4.27Å; V373-V408 HydrophobicContact CG2-CG1 4.31Å; T382-V408 HydrophobicContact CG2-CG1 4.45Å; F386-V408 HydrophobicContact CZ-CG1 3.86Å; T405-V408 WeakPolarHBondContact O-CB 3.36Å; T405-V408 PolarHBondContact O-N 2.9Å; G406-V408 VanDerWaalsContact C-N 3.26Å; G406-V408 PolarHBondContact O-N 3.32Å; V408-L410 VanDerWaalsContact C-N 3.35Å; V408-L410 PolarHBondContact O-N 2.92Å; V408-Q411 PolarHBondContact O-N 3.25Å; V408-Q411 VanDerWaalsContact O-N 3.17Å; V408-I412 HydrophobicContact CG1-CD1 3.96Å; V408-I412 WeakPolarHBondContact O-CG1 3.49Å; V408-I412 PolarHBondContact O-N 3.36Å
409M88.8Confident86.2Confident2 Ų250.7 Ų50.71%0.0126%0.263CS..Hα-helixtrans-58.7-42.1178.2-80.2-58.9-51.600113L152 L156 F386 M389 T405 G406 Q411 I412 S413L152-M409 HydrophobicContact CD1-CE 3.84Å; L152-M409 HydrophobicContact CD2-CE 4.01Å; L156-M409 HydrophobicContact CD2-SD 4.3Å; F386-M409 HydrophobicContact CD1-SD 4.35Å; F386-M409 HydrophobicContact CE1-CG 4.24Å; F386-M409 HydrophobicContact CE1-SD 3.77Å; M389-M409 HydrophobicContact CE-CE 3.43Å; M389-M409 VanDerWaalsContact CE-CE 3.43Å; M389-M409 HydrophobicContact CE-CG 4.43Å; M389-M409 HydrophobicContact CE-SD 3.7Å; M389-M409 HydrophobicContact SD-CE 4.48Å; M389-M409 HydrophobicContact SD-CG 4.35Å; M389-M409 HydrophobicContact SD-SD 4.05Å; T405-M409 HydrophobicContact CG2-CG 4.37Å; T405-M409 PolarHBondContact O-N 3.47Å; G406-M409 PolarHBondContact O-N 3.15Å; M409-Q411 VanDerWaalsContact C-N 3.34Å; M409-Q411 PolarHBondContact O-N 2.96Å; M409-I412 PolarHBondContact O-N 3.4Å; M409-I412 HydrophobicContact SD-CD1 4.43Å; M409-S413 PolarHBondContact O-N 3.4Å
410L88.5Confident85.5Confident86 Ų8655.1 Ų55.145%0.4529%0.288SS..Hα-helixtrans-66.1-33.6177.4-71.2169.6000112.6M400 G406 V408 R414M400-L410 HydrophobicContact CG-CD2 4.03Å; M400-L410 HydrophobicContact CG-CG 4.21Å; M400-L410 HydrophobicContact SD-CD2 3.86Å; G406-L410 WeakPolarHBondContact O-CB 3.23Å; G406-L410 VanDerWaalsContact O-CG 3.26Å; G406-L410 WeakPolarHBondContact O-CG 3.49Å; G406-L410 PolarHBondContact O-N 3.43Å; V408-L410 VanDerWaalsContact C-N 3.35Å; V408-L410 PolarHBondContact O-N 2.92Å; L410-R414 VanDerWaalsContact O-CB 3.3Å; L410-R414 WeakPolarHBondContact O-CB 3.47Å; L410-R414 PolarHBondContact O-N 3.45Å
411Q89Confident84.4Confident48 Ų4861.8 Ų61.822%0.22431%0.309CS..Hα-helixtrans-72-42.8173.8-65-71.39.400111.5V372 V373 P407 V408 M409 S413 R414 I415V372-Q411 HydrophobicContact CB-CG 4.25Å; V372-Q411 HydrophobicContact CG1-CG 4.26Å; V373-Q411 HydrophobicContact CG2-CB 4.24Å; P407-Q411 VanDerWaalsContact O-CG 3.25Å; P407-Q411 WeakPolarHBondContact O-CG 3.38Å; P407-Q411 PolarHBondContact O-N 2.86Å; V408-Q411 PolarHBondContact O-N 3.25Å; V408-Q411 VanDerWaalsContact O-N 3.17Å; M409-Q411 VanDerWaalsContact C-N 3.34Å; M409-Q411 PolarHBondContact O-N 2.96Å; Q411-S413 PolarHBondContact O-N 2.82Å; Q411-R414 PolarHBondContact O-N 2.67Å; Q411-I415 WeakPolarHBondContact O-CD1 3.46Å; Q411-I415 VanDerWaalsContact O-CG1 3.25Å; Q411-I415 WeakPolarHBondContact O-CG1 3.5Å; Q411-I415 PolarHBondContact O-N 3.18Å
412I89.4Confident82.6Confident0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-56.3-49.7174.4-68.7163.8000110.5I155 L159 I367 V373 F386 V408 M409 R414 I415 F416I155-I412 HydrophobicContact CD1-CG2 4.12Å; I155-I412 HydrophobicContact CG2-CG2 3.86Å; L159-I412 HydrophobicContact CD1-CD1 3.51Å; L159-I412 HydrophobicContact CD1-CG1 4.24Å; I367-I412 HydrophobicContact CD1-CG2 4.33Å; I367-I412 HydrophobicContact CG2-CG1 4.17Å; V373-I412 HydrophobicContact CG1-CG1 4.47Å; V373-I412 HydrophobicContact CG2-CG1 4.07Å; F386-I412 HydrophobicContact CZ-CD1 3.92Å; V408-I412 HydrophobicContact CG1-CD1 3.96Å; V408-I412 WeakPolarHBondContact O-CG1 3.49Å; V408-I412 PolarHBondContact O-N 3.36Å; M409-I412 PolarHBondContact O-N 3.4Å; M409-I412 HydrophobicContact SD-CD1 4.43Å; I412-R414 PolarHBondContact O-N 2.81Å; I412-I415 PolarHBondContact O-N 2.82Å; I412-F416 WeakPolarHBondContact O-CB 3.45Å; I412-F416 PolarHBondContact O-N 3.46Å
413S87.1Confident82.4Confident14 Ų1465.9 Ų65.910%0.09834%0.336CS..Hα-helixtrans-63.1-40178.2-1650000112.4F148 M409 Q411 F416 Q417F148-S413 WeakPolarHBondContact CE1-OG 3.5Å; F148-S413 WeakPolarHBondContact CZ-OG 3.35Å; M409-S413 PolarHBondContact O-N 3.4Å; Q411-S413 PolarHBondContact O-N 2.82Å; S413-F416 PolarHBondContact O-N 3.07Å; S413-Q417 WeakPolarHBondContact O-CB 3.27Å; S413-Q417 WeakPolarHBondContact O-CG 3.45Å; S413-Q417 PolarHBondContact O-N 2.74Å; S413-Q417 PolarHBondContact OG-NE2 2.75Å
414R87.4Confident82.3Confident136 Ų13663.6 Ų63.651%0.51332%0.317SS..Hα-helixtrans-62.9-42.2176.3-179.1-178.9-68.4131.6-0.5112.7L410 Q411 I412 T418L410-R414 VanDerWaalsContact O-CB 3.3Å; L410-R414 WeakPolarHBondContact O-CB 3.47Å; L410-R414 PolarHBondContact O-N 3.45Å; Q411-R414 PolarHBondContact O-N 2.67Å; I412-R414 PolarHBondContact O-N 2.81Å; R414-T418 WeakPolarHBondContact O-CB 3.47Å; R414-T418 PolarHBondContact O-N 2.98Å; R414-T418 PolarHBondContact O-OG1 3.22Å
415I87.2Confident82.3Confident22 Ų2261.4 Ų61.411%0.11331%0.308CS..Hα-helixtrans-66.3-47.1178.9-66.3162.7000109.8L363 A366 I367 N370 Q411 I412 Q417 T418 L419L363-I415 HydrophobicContact CD1-CG2 4.26Å; A366-I415 HydrophobicContact CB-CG2 3.85Å; I367-I415 HydrophobicContact CG1-CB 4.27Å; I367-I415 HydrophobicContact CG1-CD1 4.31Å; I367-I415 HydrophobicContact CG1-CG2 3.86Å; N370-I415 HydrophobicContact CB-CD1 3.95Å; Q411-I415 WeakPolarHBondContact O-CD1 3.46Å; Q411-I415 VanDerWaalsContact O-CG1 3.25Å; Q411-I415 WeakPolarHBondContact O-CG1 3.5Å; Q411-I415 PolarHBondContact O-N 3.18Å; I412-I415 PolarHBondContact O-N 2.82Å; I415-Q417 PolarHBondContact O-N 3.37Å; I415-T418 PolarHBondContact O-N 3.44Å; I415-T418 VanDerWaalsContact O-N 3.17Å; I415-L419 HydrophobicContact CG2-CD1 3.95Å; I415-L419 PolarHBondContact O-N 2.93Å
416F86.1Confident82Confident12 Ų1265.1 Ų65.15%0.05333%0.326CS..Hα-helixtrans-55.4-50.4173.7-178.3-89.4000112.4F148 E151 I155 L363 I412 S413 T418 L419 N420F148-F416 HydrophobicContact CB-CD1 4.19Å; F148-F416 HydrophobicContact CB-CE1 3.68Å; F148-F416 HydrophobicContact CB-CZ 4.25Å; F148-F416 HydrophobicContact CD2-CB 4.19Å; F148-F416 AromaticContact CD2-CD1 3.38Å; F148-F416 HydrophobicContact CD2-CD1 3.38Å; F148-F416 HydrophobicContact CD2-CD2 4.13Å; F148-F416 AromaticContact CD2-CE1 3.63Å; F148-F416 HydrophobicContact CD2-CE1 3.63Å; F148-F416 HydrophobicContact CD2-CE2 4.33Å; F148-F416 AromaticContact CD2-CG 3.64Å; F148-F416 HydrophobicContact CD2-CG 3.64Å; F148-F416 HydrophobicContact CD2-CZ 4.08Å; F148-F416 HydrophobicContact CE2-CB 4.11Å; F148-F416 HydrophobicContact CE2-CD1 4.16Å; F148-F416 HydrophobicContact CE2-CG 4.04Å; F148-F416 HydrophobicContact CG-CD1 4.12Å; F148-F416 HydrophobicContact CG-CE1 4.1Å; E151-F416 HydrophobicContact CB-CE2 3.58Å; E151-F416 HydrophobicContact CB-CZ 3.97Å; E151-F416 HydrophobicContact CG-CE2 4.03Å; E151-F416 HydrophobicContact CG-CZ 4.2Å; I155-F416 HydrophobicContact CD1-CD2 4.01Å; L363-F416 HydrophobicContact CD1-CB 4.27Å; L363-F416 HydrophobicContact CD1-CD2 4.29Å; L363-F416 HydrophobicContact CD2-CD2 3.8Å; L363-F416 HydrophobicContact CD2-CE2 4.27Å; I412-F416 WeakPolarHBondContact O-CB 3.45Å; I412-F416 PolarHBondContact O-N 3.46Å; S413-F416 PolarHBondContact O-N 3.07Å; F416-T418 PolarHBondContact O-N 2.81Å; F416-L419 PolarHBondContact O-N 2.98Å; F416-N420 VanDerWaalsContact CE1-ND2 3.32Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.22Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.48Å; F416-N420 WeakPolarHBondContact CZ-ND2 3.49Å; F416-N420 WeakPolarHBondContact O-CB 3.31Å; F416-N420 PolarHBondContact O-N 3.17Å
417Q84.3Confident81.6Confident97 Ų9769 Ų6945%0.45335%0.345SS..Hα-helixtrans-64.7-24.4179.5-73.2175.748.900113.7S413 I415 R421S413-Q417 WeakPolarHBondContact O-CB 3.27Å; S413-Q417 WeakPolarHBondContact O-CG 3.45Å; S413-Q417 PolarHBondContact O-N 2.74Å; S413-Q417 PolarHBondContact OG-NE2 2.75Å; I415-Q417 PolarHBondContact O-N 3.37Å; Q417-R421 VanDerWaalsContact O-CD 3.28Å; Q417-R421 WeakPolarHBondContact O-CD 3.41Å; Q417-R421 VanDerWaalsContact O-CG 3.22Å; Q417-R421 WeakPolarHBondContact O-CG 3.46Å
418T84Confident81Confident85 Ų8569.6 Ų69.652%0.52134%0.342SS..Hα-helixtrans-80.6-43.7178.2-58.90000110.6R414 I415 F416 R421R414-T418 WeakPolarHBondContact O-CB 3.47Å; R414-T418 PolarHBondContact O-N 2.98Å; R414-T418 PolarHBondContact O-OG1 3.22Å; I415-T418 PolarHBondContact O-N 3.44Å; I415-T418 VanDerWaalsContact O-N 3.17Å; F416-T418 PolarHBondContact O-N 2.81Å; T418-R421 PolarHBondContact O-N 3.26Å
419L77.4Confident80.3Confident62 Ų6274.3 Ų74.333%0.32537%0.365SS..Hα-helixtrans-77.4-29.2-178.6-70.5169.4000113.7L363 A366 I415 F416 R421 T422L363-L419 HydrophobicContact CB-CD1 4.24Å; L363-L419 HydrophobicContact CD1-CD1 3.99Å; A366-L419 HydrophobicContact CB-CD1 3.87Å; I415-L419 HydrophobicContact CG2-CD1 3.95Å; I415-L419 PolarHBondContact O-N 2.93Å; F416-L419 PolarHBondContact O-N 2.98Å; L419-R421 PolarHBondContact O-N 3.41Å; L419-T422 PolarHBondContact O-OG1 3.2Å; L419-T422 VanDerWaalsContact O-OG1 3.05Å
420N68.8Low79.6Confident100 Ų10079.8 Ų79.854%0.53539%0.392SS..THydrogen-bonded Turntrans-80.98.8171.6-88.6-22.9000113.9F416F416-N420 VanDerWaalsContact CE1-ND2 3.32Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.22Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.48Å; F416-N420 WeakPolarHBondContact CZ-ND2 3.49Å; F416-N420 WeakPolarHBondContact O-CB 3.31Å; F416-N420 PolarHBondContact O-N 3.17Å
421R60.7Low78.9Confident210 Ų21079.3 Ų79.379%0.79239%0.387SS*.THydrogen-bonded Turntrans-109.90.2173.5-79.7-178.5176.9-175.61.4113.8Q417 T418 L419Q417-R421 VanDerWaalsContact O-CD 3.28Å; Q417-R421 WeakPolarHBondContact O-CD 3.41Å; Q417-R421 VanDerWaalsContact O-CG 3.22Å; Q417-R421 WeakPolarHBondContact O-CG 3.46Å; T418-R421 PolarHBondContact O-N 3.26Å; L419-R421 PolarHBondContact O-N 3.41Å
422T45.5Very low78Confident166 Ų16682.2 Ų82.2100%1.01840%0.402SS*.  trans-117.90-178.251.90000111.1L419L419-T422 PolarHBondContact O-OG1 3.2Å; L419-T422 VanDerWaalsContact O-OG1 3.05Å

Retrieved 422 of 422 residues in 1958.8 ms (Link to these results)

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