A0A077ZH61_TRITR Loading...

HHH 5 and KH 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M89.6Confident91.6Very high79 Ų7984.7 Ų84.739%0.38947%0.468SS..  0122.50173.2-175.9-80.800107L3 E8 A9 I11 V28M1-L3 HydrophobicContact CG-CD2 3.84Å; M1-L3 HydrophobicContact SD-CD2 3.63Å; M1-E8 WeakPolarHBondContact O-CA 3.08Å; M1-A9 HydrophobicContact CB-CB 4.41Å; M1-A9 WeakPolarHBondContact CB-O 3.29Å; M1-A9 PolarHBondContact N-O 3.41Å; M1-A9 PolarHBondContact O-N 2.56Å; M1-I11 HydrophobicContact CE-CD1 3.64Å; M1-I11 HydrophobicContact CE-CG1 4.47Å; M1-V28 HydrophobicContact CE-CB 3.67Å; M1-V28 HydrophobicContact CE-CG1 3.92Å; M1-V28 VanDerWaalsContact CE-O 3.22Å; M1-V28 WeakPolarHBondContact CE-O 2.98Å
2D92.4Very high91.8Very high124 Ų12482 Ų8266%0.66345%0.451SS*.EExtended strand (participates in β ladder)trans-87.2125.7173-178.7-0.4000108.7G4D2-G4 PolarHBondContact OD1-N 3.42Å
3L91.6Very high91.9Very high89 Ų8993.8 Ų93.847%0.46649%0.485SS..EExtended strand (participates in β ladder)trans-98.6-5-178.6-59-179.7000112.7M1 A7 A9 L44M1-L3 HydrophobicContact CG-CD2 3.84Å; M1-L3 HydrophobicContact SD-CD2 3.63Å; L3-A7 HydrophobicContact CB-CB 4.16Å; L3-A7 WeakPolarHBondContact CB-O 3.5Å; L3-A7 HydrophobicContact CD1-CB 4.42Å; L3-A7 PolarHBondContact N-O 2.89Å; L3-A9 HydrophobicContact CD1-CB 3.95Å; L3-A9 HydrophobicContact CD2-CB 4.45Å; L3-A9 HydrophobicContact CG-CB 4.25Å; L3-L44 HydrophobicContact CD1-CD1 3.83Å
4G90Very high92Very high32 Ų3297.8 Ų97.833%0.3350%0.5SS..EExtended strand (participates in β ladder)trans83.4171.4-166.200000112.5D2 N6 A7D2-G4 PolarHBondContact OD1-N 3.42Å; G4-N6 PolarHBondContact O-N 3.05Å; G4-N6 VanDerWaalsContact O-N 3.14Å; G4-A7 WeakPolarHBondContact O-CB 3.44Å; G4-A7 PolarHBondContact O-N 3.06Å
5N91.3Very high92.2Very high169 Ų16991.7 Ų91.790%0.90447%0.469SS*.THydrogen-bonded Turntrans52.532.9-178.3-58.6-33.5000114.5A7N5-A7 PolarHBondContact O-N 2.98Å
6N86.6Confident92.4Very high169 Ų16988.7 Ų88.790%0.90445%0.453SS*.THydrogen-bonded Turntrans59.424.5-175.7-51.7-29.2000114.2G4G4-N6 PolarHBondContact O-N 3.05Å; G4-N6 VanDerWaalsContact O-N 3.14Å
7A90.6Very high92.6Very high35 Ų3583.9 Ų83.929%0.28943%0.429SS..EExtended strand (participates in β ladder)trans-97.2130.6173.300000110.4L3 G4 N5L3-A7 HydrophobicContact CB-CB 4.16Å; L3-A7 WeakPolarHBondContact CB-O 3.5Å; L3-A7 HydrophobicContact CD1-CB 4.42Å; L3-A7 PolarHBondContact N-O 2.89Å; G4-A7 WeakPolarHBondContact O-CB 3.44Å; G4-A7 PolarHBondContact O-N 3.06Å; N5-A7 PolarHBondContact O-N 2.98Å
8E92.1Very high92.5Very high154 Ų15485.6 Ų85.672%0.7245%0.446SS*.EExtended strand (participates in β ladder)trans-118.5144.7177.1-64.7-174.3170.400110.6M1M1-E8 WeakPolarHBondContact O-CA 3.08Å
9A94.6Very high92.4Very high8 Ų893.1 Ų93.17%0.06647%0.468CS..EExtended strand (participates in β ladder)trans-130.2156.117400000112M1 L3 L44 V46M1-A9 HydrophobicContact CB-CB 4.41Å; M1-A9 WeakPolarHBondContact CB-O 3.29Å; M1-A9 PolarHBondContact N-O 3.41Å; M1-A9 PolarHBondContact O-N 2.56Å; L3-A9 HydrophobicContact CD1-CB 3.95Å; L3-A9 HydrophobicContact CD2-CB 4.45Å; L3-A9 HydrophobicContact CG-CB 4.25Å; A9-L44 CarbonylContact C-O 3.56Å; A9-L44 VanDerWaalsContact CA-O 3.29Å; A9-L44 WeakPolarHBondContact CA-O 3.4Å; A9-L44 HydrophobicContact CB-CB 3.82Å; A9-L44 WeakPolarHBondContact CB-O 3.42Å; A9-V46 HydrophobicContact CB-CG2 3.74Å
10V94.1Very high92.2Very high41 Ų4189.7 Ų89.725%0.24845%0.45CS..EExtended strand (participates in β ladder)trans-116.2140.7174.869.60000109.9L12 Q43 L44 F45 V46V10-L12 HydrophobicContact CG2-CD2 4.4Å; V10-Q43 HydrophobicContact CG1-CG 3.93Å; V10-L44 PolarHBondContact N-O 2.91Å; V10-F45 HydrophobicContact CG1-CD1 3.58Å; V10-F45 HydrophobicContact CG1-CE1 3.63Å; V10-F45 HydrophobicContact CG1-CG 4.15Å; V10-F45 HydrophobicContact CG1-CZ 4.24Å; V10-V46 PolarHBondContact O-N 3.42Å
11I94.8Very high92.1Very high32 Ų3292.3 Ų92.316%0.16447%0.466CS..  trans-111.6119.7165.2-57.9176.2000105.5M1 D15 M16 V28 V46 R48M1-I11 HydrophobicContact CE-CD1 3.64Å; M1-I11 HydrophobicContact CE-CG1 4.47Å; I11-D15 HydrophobicContact CG2-CB 4.05Å; I11-M16 HydrophobicContact CG2-CG 3.53Å; I11-V28 HydrophobicContact CD1-CG1 4.04Å; I11-V46 HydrophobicContact CD1-CG1 4.09Å; I11-V46 HydrophobicContact CG1-CB 3.81Å; I11-V46 HydrophobicContact CG1-CG1 3.92Å; I11-R48 HydrophobicContact CD1-CG 4.44Å
12L93.9Very high92.1Very high52 Ų5292.2 Ų92.227%0.27246%0.463SS..  trans-73.1157.4176.1-61.1178.9000110V10 E14 D15 M16 F45V10-L12 HydrophobicContact CG2-CD2 4.4Å; L12-E14 HydrophobicContact CB-CG 3.92Å; L12-E14 PolarHBondContact O-N 3.24Å; L12-D15 HydrophobicContact CB-CB 4.25Å; L12-D15 CarbonylContact O-C 3.54Å; L12-D15 WeakPolarHBondContact O-CA 3.34Å; L12-D15 WeakPolarHBondContact O-CB 3.42Å; L12-D15 PolarHBondContact O-N 3.24Å; L12-M16 WeakPolarHBondContact O-CG 3.37Å; L12-M16 PolarHBondContact O-N 3.19Å; L12-F45 HydrophobicContact CD1-CD1 4.05Å; L12-F45 HydrophobicContact CD1-CE1 4.07Å; L12-F45 HydrophobicContact CD2-CE1 4.2Å; L12-F45 HydrophobicContact CG-CD1 4.12Å; L12-F45 HydrophobicContact CG-CE1 4.23Å
13R92.7Very high92.1Very high235 Ų23595.4 Ų95.489%0.88747%0.466SS*.G310 helixtrans-60.8-35.2179.6-72.6-176179.5145.9-0.2112.8D15 M16R13-D15 VanDerWaalsContact C-N 3.25Å; R13-D15 PolarHBondContact O-N 3.23Å; R13-M16 PolarHBondContact O-N 3.17Å
14E93.6Very high92.2Very high150 Ų15097.9 Ų97.970%0.70149%0.487SS*.G310 helixtrans-69.3-22.7174.463-164.6-165.400113.4L12 S49L12-E14 HydrophobicContact CB-CG 3.92Å; L12-E14 PolarHBondContact O-N 3.24Å; E14-S49 PolarHBondContact O-OG 3.32Å
15D95.1Very high92.3Very high6 Ų6100.1 Ų100.13%0.03251%0.511CS..G310 helixtrans-91.3-2.5177.9-83.8-48.7000112.8I11 L12 R13 Y33 T47 R48 S49I11-D15 HydrophobicContact CG2-CB 4.05Å; L12-D15 HydrophobicContact CB-CB 4.25Å; L12-D15 CarbonylContact O-C 3.54Å; L12-D15 WeakPolarHBondContact O-CA 3.34Å; L12-D15 WeakPolarHBondContact O-CB 3.42Å; L12-D15 PolarHBondContact O-N 3.24Å; R13-D15 VanDerWaalsContact C-N 3.25Å; R13-D15 PolarHBondContact O-N 3.23Å; D15-Y33 VanDerWaalsContact OD2-CE1 3.3Å; D15-Y33 WeakPolarHBondContact OD2-CE1 3.15Å; D15-Y33 PolarHBondContact OD2-OH 2.92Å; D15-T47 WeakPolarHBondContact OD1-CB 3.41Å; D15-T47 PolarHBondContact OD1-OG1 2.97Å; D15-R48 PolarHBondContact O-N 3.35Å; D15-S49 WeakPolarHBondContact CA-OG 3.31Å; D15-S49 PolarHBondContact O-N 3.32Å
16M95.2Very high92.5Very high44 Ų4496.2 Ų96.222%0.21749%0.49CS..SBendtrans-92.3159.9174.7-69.8-175.35600111.8I11 L12 R13 E20 F22I11-M16 HydrophobicContact CG2-CG 3.53Å; L12-M16 WeakPolarHBondContact O-CG 3.37Å; L12-M16 PolarHBondContact O-N 3.19Å; R13-M16 PolarHBondContact O-N 3.17Å; M16-E20 HydrophobicContact CE-CB 3.89Å; M16-E20 WeakPolarHBondContact CE-O 3.49Å; M16-F22 HydrophobicContact CE-CD2 3.39Å; M16-F22 HydrophobicContact CE-CE2 3.72Å; M16-F22 HydrophobicContact CE-CG 4.4Å; M16-F22 HydrophobicContact SD-CD2 4.38Å
17L95.5Very high92.7Very high8 Ų8100 Ų1004%0.04249%0.491CS..  trans-74.8147.3170.4-52.2-177.5000111R19 E20 R48 R77 P79 L115L17-R19 PolarHBondContact O-N 3.29Å; L17-E20 HydrophobicContact CB-CB 4.35Å; L17-E20 HydrophobicContact CB-CG 3.79Å; L17-E20 WeakPolarHBondContact CB-OE2 3.29Å; L17-E20 HydrophobicContact CD1-CG 4.36Å; L17-E20 WeakPolarHBondContact CD1-OE1 3.46Å; L17-E20 HydrophobicContact CG-CG 4.29Å; L17-E20 WeakPolarHBondContact CG-OE2 3.3Å; L17-E20 PolarHBondContact N-OE2 3.39Å; L17-E20 VanDerWaalsContact N-OE2 3.1Å; L17-E20 PolarHBondContact O-N 3.31Å; L17-R48 WeakPolarHBondContact CD2-O 3.3Å; L17-R77 VanDerWaalsContact CD2-NH2 3.33Å; L17-P79 HydrophobicContact CD2-CB 3.55Å; L17-L115 HydrophobicContact CD1-CB 4.37Å; L17-L115 WeakPolarHBondContact CD1-O 3.29Å
18P92Very high92.8Very high113 Ų11399.8 Ų99.873%0.73449%0.487SS*.THydrogen-bonded Turntrans-58.3-24.4-172.1-27.734.9000116P79P18-P79 WeakPolarHBondContact CD-O 3.38Å
19R89.7Confident92.8Very high228 Ų22899.3 Ų99.386%0.8648%0.478SS*.THydrogen-bonded Turntrans-107.71-177.4-64.7-179.1177.8171.20113.4L17L17-R19 PolarHBondContact O-N 3.29Å
20E89Confident92.9Very high26 Ų26100.4 Ų100.412%0.12149%0.491CS..  trans-78.7131.4179.1-79.6176.5160.600111.2M16 L17 F22 R48M16-E20 HydrophobicContact CE-CB 3.89Å; M16-E20 WeakPolarHBondContact CE-O 3.49Å; L17-E20 HydrophobicContact CB-CB 4.35Å; L17-E20 HydrophobicContact CB-CG 3.79Å; L17-E20 WeakPolarHBondContact CB-OE2 3.29Å; L17-E20 HydrophobicContact CD1-CG 4.36Å; L17-E20 WeakPolarHBondContact CD1-OE1 3.46Å; L17-E20 HydrophobicContact CG-CG 4.29Å; L17-E20 WeakPolarHBondContact CG-OE2 3.3Å; L17-E20 PolarHBondContact N-OE2 3.39Å; L17-E20 VanDerWaalsContact N-OE2 3.1Å; L17-E20 PolarHBondContact O-N 3.31Å; E20-F22 HydrophobicContact CB-CE2 3.92Å; E20-F22 HydrophobicContact CB-CZ 3.98Å; E20-F22 HydrophobicContact CG-CE1 4.45Å; E20-F22 HydrophobicContact CG-CE2 4.22Å; E20-F22 HydrophobicContact CG-CZ 3.83Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.44Å; E20-F22 WeakPolarHBondContact OE2-CZ 3.31Å; E20-R48 IonicContact OE1-CZ 2.65Å; E20-R48 IonicContact OE1-NE 3.73Å; E20-R48 PolarHBondContact OE1-NE 3Å; E20-R48 IonicContact OE1-NH2 2.92Å; E20-R48 PolarHBondContact OE1-NH2 2.97Å; E20-R48 IonicContact OE2-NE 3.36Å; E20-R48 PolarHBondContact OE2-NE 3.48Å; E20-R48 VanDerWaalsContact OE2-NE 3.16Å
21N88.9Confident93Very high144 Ų14499.9 Ų99.977%0.7749%0.487SS*.  trans-133.985.5173.8-78.3-51.5000108.9
22F90.6Very high93.1Very high78 Ų78102.6 Ų102.634%0.34250%0.502SS..  trans-75.3142.4178.2-58.3-58.8000111.7M16 E20 D26 V28M16-F22 HydrophobicContact CE-CD2 3.39Å; M16-F22 HydrophobicContact CE-CE2 3.72Å; M16-F22 HydrophobicContact CE-CG 4.4Å; M16-F22 HydrophobicContact SD-CD2 4.38Å; E20-F22 HydrophobicContact CB-CE2 3.92Å; E20-F22 HydrophobicContact CB-CZ 3.98Å; E20-F22 HydrophobicContact CG-CE1 4.45Å; E20-F22 HydrophobicContact CG-CE2 4.22Å; E20-F22 HydrophobicContact CG-CZ 3.83Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.44Å; E20-F22 WeakPolarHBondContact OE2-CZ 3.31Å; F22-D26 HydrophobicContact CD1-CB 4.46Å; F22-V28 HydrophobicContact CB-CG2 4.35Å; F22-V28 HydrophobicContact CD1-CG2 3.29Å; F22-V28 HydrophobicContact CD2-CG1 4.36Å; F22-V28 HydrophobicContact CD2-CG2 4.02Å; F22-V28 HydrophobicContact CE1-CB 4.32Å; F22-V28 HydrophobicContact CE1-CG1 4.03Å; F22-V28 HydrophobicContact CE1-CG2 3.39Å; F22-V28 HydrophobicContact CE2-CG1 3.78Å; F22-V28 HydrophobicContact CE2-CG2 4.11Å; F22-V28 HydrophobicContact CG-CG2 3.62Å; F22-V28 HydrophobicContact CZ-CB 4.34Å; F22-V28 HydrophobicContact CZ-CG1 3.58Å; F22-V28 HydrophobicContact CZ-CG2 3.81Å
23R93.2Very high93.1Very high190 Ų190103.4 Ų103.472%0.71750%0.501SS*.  trans-114.8156.2175-62.1-178.2179.2-138-1.3110.1G25 D26R23-G25 PolarHBondContact O-N 3.42Å; R23-G25 VanDerWaalsContact O-N 3.17Å; R23-D26 PolarHBondContact N-OD2 2.85Å; R23-D26 WeakPolarHBondContact O-CB 3.49Å; R23-D26 PolarHBondContact O-N 3.28Å
24P93.3Very high93.1Very high141 Ų14193.4 Ų93.492%0.91647%0.468SS*.THydrogen-bonded Turntrans-53.8124.2170.5-24.734.5000110.8
25G92.5Very high93.2Very high79 Ų7990.2 Ų90.281%0.81446%0.458SS*.THydrogen-bonded Turntrans107.5-18.9-175.700000114.4R23R23-G25 PolarHBondContact O-N 3.42Å; R23-G25 VanDerWaalsContact O-N 3.17Å
26D93.7Very high93.1Very high88 Ų8895.9 Ų95.947%0.47148%0.479SS..  trans-70.1138.6175.4-65.6-18.9000110.7F22 R23 V28F22-D26 HydrophobicContact CD1-CB 4.46Å; R23-D26 PolarHBondContact N-OD2 2.85Å; R23-D26 WeakPolarHBondContact O-CB 3.49Å; R23-D26 PolarHBondContact O-N 3.28Å; D26-V28 HydrophobicContact CB-CG2 4.48Å
27R92.2Very high92.9Very high248 Ų24899.6 Ų99.694%0.93651%0.506SS*.  trans-88.9132170.4-69.4-172.8178-170.2-1.2109
28V92.7Very high92.4Very high31 Ų31104.3 Ų104.319%0.18853%0.528CS..  trans-135.8133.3-176.1-177.80000107.9M1 I11 F22 D26 R48M1-V28 HydrophobicContact CE-CB 3.67Å; M1-V28 HydrophobicContact CE-CG1 3.92Å; M1-V28 VanDerWaalsContact CE-O 3.22Å; M1-V28 WeakPolarHBondContact CE-O 2.98Å; I11-V28 HydrophobicContact CD1-CG1 4.04Å; F22-V28 HydrophobicContact CB-CG2 4.35Å; F22-V28 HydrophobicContact CD1-CG2 3.29Å; F22-V28 HydrophobicContact CD2-CG1 4.36Å; F22-V28 HydrophobicContact CD2-CG2 4.02Å; F22-V28 HydrophobicContact CE1-CB 4.32Å; F22-V28 HydrophobicContact CE1-CG1 4.03Å; F22-V28 HydrophobicContact CE1-CG2 3.39Å; F22-V28 HydrophobicContact CE2-CG1 3.78Å; F22-V28 HydrophobicContact CE2-CG2 4.11Å; F22-V28 HydrophobicContact CG-CG2 3.62Å; F22-V28 HydrophobicContact CZ-CB 4.34Å; F22-V28 HydrophobicContact CZ-CG1 3.58Å; F22-V28 HydrophobicContact CZ-CG2 3.81Å; D26-V28 HydrophobicContact CB-CG2 4.48Å; V28-R48 VanDerWaalsContact CG1-CD 3.45Å
29R92.3Very high92Very high143 Ų143104.4 Ų104.454%0.5454%0.538SS..  trans-95.4159.2170.1-64.3178.7173.3-178.4-1.1109.8R48 M53R29-R48 WeakPolarHBondContact O-CD 3.44Å; R29-R48 WeakPolarHBondContact O-CG 3.33Å; R29-R48 PolarHBondContact O-NH1 2.9Å; R29-M53 HydrophobicContact CB-CE 4.11Å
30G95.1Very high91.6Very high32 Ų32105.6 Ų105.633%0.3354%0.543SS..  trans-173.1164.5176.500000110.2V46 T47 M53G30-V46 VanDerWaalsContact CA-CG1 3.45Å; G30-T47 WeakPolarHBondContact CA-O 3.36Å; G30-M53 VanDerWaalsContact CA-SD 3.57Å
31V96.8Very high91.3Very high29 Ų29106.5 Ų106.518%0.17656%0.559CS.*EExtended strand (participates in β ladder)trans-96.9125.3175.8173.70000109.1Y33 V46 T47 E52 M53 E56V31-Y33 PolarHBondContact O-N 3.5Å; V31-V46 CarbonylContact O-C 3.56Å; V31-V46 VanDerWaalsContact O-CA 3.31Å; V31-V46 WeakPolarHBondContact O-CA 3.25Å; V31-T47 HydrophobicContact CB-CG2 4.36Å; V31-T47 PolarHBondContact N-O 3.21Å; V31-T47 PolarHBondContact O-N 3.46Å; V31-E52 HydrophobicContact CG1-CB 4.22Å; V31-M53 HydrophobicContact CG2-CB 4.38Å; V31-M53 HydrophobicContact CG2-SD 3.98Å; V31-E56 HydrophobicContact CG2-CB 3.99Å; V31-E56 HydrophobicContact CG2-CG 4.01Å
32L96.4Very high91.4Very high90 Ų90102.9 Ų102.947%0.47155%0.55SS..EExtended strand (participates in β ladder)trans-68.6116.3168.8179.673.8000108.4V35 L44 F45 V46L32-V35 HydrophobicContact CD1-CG2 4.44Å; L32-V35 HydrophobicContact CD2-CG2 4.19Å; L32-L44 HydrophobicContact CD1-CB 3.65Å; L32-L44 HydrophobicContact CD1-CD2 4.09Å; L32-L44 HydrophobicContact CD1-CG 4.36Å; L32-L44 HydrophobicContact CD2-CD2 4.42Å; L32-F45 WeakPolarHBondContact CD1-O 3.48Å; L32-V46 HydrophobicContact CB-CG2 4.49Å; L32-V46 HydrophobicContact CD1-CG2 4.2Å
33Y94.4Very high91.5Very high68 Ų68102 Ų10227%0.26755%0.547SS..EExtended strand (participates in β ladder)trans-114.7-17.7-177.576-92.8000113.5D15 V31 F45 T47D15-Y33 VanDerWaalsContact OD2-CE1 3.3Å; D15-Y33 WeakPolarHBondContact OD2-CE1 3.15Å; D15-Y33 PolarHBondContact OD2-OH 2.92Å; V31-Y33 PolarHBondContact O-N 3.5Å; Y33-F45 HydrophobicContact CD1-CB 4.39Å; Y33-F45 WeakPolarHBondContact CD1-O 3.37Å; Y33-F45 HydrophobicContact CE1-CB 3.82Å; Y33-F45 HydrophobicContact CE2-CB 4.47Å; Y33-F45 PolarHBondContact N-O 3.37Å; Y33-T47 HydrophobicContact CD1-CG2 3.76Å; Y33-T47 HydrophobicContact CE1-CG2 4.48Å; Y33-T47 HydrophobicContact CG-CG2 4.36Å
34S94Very high91.6Very high26 Ų2694.8 Ų94.818%0.18252%0.522CS..EExtended strand (participates in β ladder)trans-150.8140.8-176.9168.80000111R36 F45S34-R36 WeakPolarHBondContact OG-CG 3.34Å; S34-R36 PolarHBondContact OG-NE 3.13Å; S34-F45 PolarHBondContact O-N 2.94Å
35V95.4Very high91.7Very high82 Ų8288.4 Ų88.450%0.49748%0.48SS..EExtended strand (participates in β ladder)trans-123.5112.6171.7-178.40000106.8L32 A42 Q43 L44L32-V35 HydrophobicContact CD1-CG2 4.44Å; L32-V35 HydrophobicContact CD2-CG2 4.19Å; V35-A42 HydrophobicContact CG1-CB 3.77Å; V35-Q43 WeakPolarHBondContact CA-O 3.28Å; V35-L44 HydrophobicContact CB-CD2 4.36Å; V35-L44 HydrophobicContact CG1-CD2 3.97Å; V35-L44 HydrophobicContact CG2-CD2 3.64Å
36R92.3Very high91.9Very high126 Ų12685 Ų8548%0.47544%0.443SS..EExtended strand (participates in β ladder)trans-112.3135.2-177.3-57.1-177-179.8168-2.2110.4S34 E38 A42 Q43 F45S34-R36 WeakPolarHBondContact OG-CG 3.34Å; S34-R36 PolarHBondContact OG-NE 3.13Å; R36-E38 PolarHBondContact O-N 3.35Å; R36-A42 CarbonylContact O-C 3.56Å; R36-A42 VanDerWaalsContact O-CA 3.32Å; R36-A42 WeakPolarHBondContact O-CA 3.34Å; R36-Q43 PolarHBondContact N-O 3.35Å; R36-Q43 PolarHBondContact O-N 2.77Å; R36-F45 HydrophobicContact CB-CD2 4.47Å; R36-F45 HydrophobicContact CB-CE2 3.86Å; R36-F45 HydrophobicContact CG-CD2 4.07Å; R36-F45 HydrophobicContact CG-CE2 3.77Å
37P90.1Very high92Very high121 Ų12180.8 Ų80.879%0.78642%0.42SS*.EExtended strand (participates in β ladder)trans-69.2121.3170.628.9-31.9000109.3
38E86.1Confident92.2Very high108 Ų10869.2 Ų69.251%0.50538%0.377SS..EExtended strand (participates in β ladder)trans-112.9169.9168.4-63.9-153.6152.400110.6R36 R40 G41 Q43R36-E38 PolarHBondContact O-N 3.35Å; E38-R40 PolarHBondContact O-N 3.27Å; E38-G41 CarbonylContact C-O 3.54Å; E38-G41 WeakPolarHBondContact CA-O 3.39Å; E38-G41 PolarHBondContact N-O 3.09Å; E38-G41 PolarHBondContact O-N 3.43Å; E38-G41 VanDerWaalsContact O-N 3.09Å; E38-Q43 HydrophobicContact CG-CB 4.07Å; E38-Q43 PolarHBondContact OE1-OE1 3.45Å; E38-Q43 VanDerWaalsContact OE1-OE1 3.08Å
39A84.2Confident92.4Very high114 Ų11468.6 Ų68.694%0.94237%0.374SS*.THydrogen-bonded Turntrans-55.6-21.4-175.700000114.5
40R79.7Confident92.5Very high253 Ų25365 Ų6596%0.95536%0.362SS*.THydrogen-bonded Turntrans-119.225.3-178-65.8-174.5-179.8179.41.3113.8E38E38-R40 PolarHBondContact O-N 3.27Å
41G84.2Confident92.6Very high45 Ų4565.8 Ų65.846%0.46436%0.361SS..EExtended strand (participates in β ladder)trans117.5178.3-179.400000112.1E38E38-G41 CarbonylContact C-O 3.54Å; E38-G41 WeakPolarHBondContact CA-O 3.39Å; E38-G41 PolarHBondContact N-O 3.09Å; E38-G41 PolarHBondContact O-N 3.43Å; E38-G41 VanDerWaalsContact O-N 3.09Å
42A90.9Very high92.6Very high69 Ų6968.8 Ų68.857%0.5737%0.373SS*.EExtended strand (participates in β ladder)trans-76.4128.6179.100000110.5V35 R36V35-A42 HydrophobicContact CG1-CB 3.77Å; R36-A42 CarbonylContact O-C 3.56Å; R36-A42 VanDerWaalsContact O-CA 3.32Å; R36-A42 WeakPolarHBondContact O-CA 3.34Å
43Q91.7Very high92.7Very high60 Ų6064.7 Ų64.728%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-94.7132.9173.5-170.5172.751.900110.2V10 V35 R36 E38 F45V10-Q43 HydrophobicContact CG1-CG 3.93Å; V35-Q43 WeakPolarHBondContact CA-O 3.28Å; R36-Q43 PolarHBondContact N-O 3.35Å; R36-Q43 PolarHBondContact O-N 2.77Å; E38-Q43 HydrophobicContact CG-CB 4.07Å; E38-Q43 PolarHBondContact OE1-OE1 3.45Å; E38-Q43 VanDerWaalsContact OE1-OE1 3.08Å; Q43-F45 HydrophobicContact CB-CE2 3.93Å; Q43-F45 HydrophobicContact CB-CZ 4.43Å; Q43-F45 HydrophobicContact CG-CE2 3.98Å; Q43-F45 HydrophobicContact CG-CZ 4.18Å
44L95.1Very high92.8Very high37 Ų3761.5 Ų61.519%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-92.5119.7179-58.9-177.6000110L3 A9 V10 L32 V35L3-L44 HydrophobicContact CD1-CD1 3.83Å; A9-L44 CarbonylContact C-O 3.56Å; A9-L44 VanDerWaalsContact CA-O 3.29Å; A9-L44 WeakPolarHBondContact CA-O 3.4Å; A9-L44 HydrophobicContact CB-CB 3.82Å; A9-L44 WeakPolarHBondContact CB-O 3.42Å; V10-L44 PolarHBondContact N-O 2.91Å; L32-L44 HydrophobicContact CD1-CB 3.65Å; L32-L44 HydrophobicContact CD1-CD2 4.09Å; L32-L44 HydrophobicContact CD1-CG 4.36Å; L32-L44 HydrophobicContact CD2-CD2 4.42Å; V35-L44 HydrophobicContact CB-CD2 4.36Å; V35-L44 HydrophobicContact CG1-CD2 3.97Å; V35-L44 HydrophobicContact CG2-CD2 3.64Å
45F95.8Very high92.9Very high8 Ų862.2 Ų62.24%0.03534%0.341CS..EExtended strand (participates in β ladder)trans-103.5121.7179.3-69-95000110.9V10 L12 L32 Y33 S34 R36 Q43V10-F45 HydrophobicContact CG1-CD1 3.58Å; V10-F45 HydrophobicContact CG1-CE1 3.63Å; V10-F45 HydrophobicContact CG1-CG 4.15Å; V10-F45 HydrophobicContact CG1-CZ 4.24Å; L12-F45 HydrophobicContact CD1-CD1 4.05Å; L12-F45 HydrophobicContact CD1-CE1 4.07Å; L12-F45 HydrophobicContact CD2-CE1 4.2Å; L12-F45 HydrophobicContact CG-CD1 4.12Å; L12-F45 HydrophobicContact CG-CE1 4.23Å; L32-F45 WeakPolarHBondContact CD1-O 3.48Å; Y33-F45 HydrophobicContact CD1-CB 4.39Å; Y33-F45 WeakPolarHBondContact CD1-O 3.37Å; Y33-F45 HydrophobicContact CE1-CB 3.82Å; Y33-F45 HydrophobicContact CE2-CB 4.47Å; Y33-F45 PolarHBondContact N-O 3.37Å; S34-F45 PolarHBondContact O-N 2.94Å; R36-F45 HydrophobicContact CB-CD2 4.47Å; R36-F45 HydrophobicContact CB-CE2 3.86Å; R36-F45 HydrophobicContact CG-CD2 4.07Å; R36-F45 HydrophobicContact CG-CE2 3.77Å; Q43-F45 HydrophobicContact CB-CE2 3.93Å; Q43-F45 HydrophobicContact CB-CZ 4.43Å; Q43-F45 HydrophobicContact CG-CE2 3.98Å; Q43-F45 HydrophobicContact CG-CZ 4.18Å
46V96.9Very high93Very high6 Ų661.8 Ų61.84%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-113.1138.6-176.6173.70000109.1A9 V10 I11 G30 V31 L32A9-V46 HydrophobicContact CB-CG2 3.74Å; V10-V46 PolarHBondContact O-N 3.42Å; I11-V46 HydrophobicContact CD1-CG1 4.09Å; I11-V46 HydrophobicContact CG1-CB 3.81Å; I11-V46 HydrophobicContact CG1-CG1 3.92Å; G30-V46 VanDerWaalsContact CA-CG1 3.45Å; V31-V46 CarbonylContact O-C 3.56Å; V31-V46 VanDerWaalsContact O-CA 3.31Å; V31-V46 WeakPolarHBondContact O-CA 3.25Å; L32-V46 HydrophobicContact CB-CG2 4.49Å; L32-V46 HydrophobicContact CD1-CG2 4.2Å
47T96.5Very high93.2Very high0 Ų056.3 Ų56.30%031%0.314CS..EExtended strand (participates in β ladder)trans-117.1146.3176.9-168.70000111.7D15 G30 V31 Y33 S49 K50D15-T47 WeakPolarHBondContact OD1-CB 3.41Å; D15-T47 PolarHBondContact OD1-OG1 2.97Å; G30-T47 WeakPolarHBondContact CA-O 3.36Å; V31-T47 HydrophobicContact CB-CG2 4.36Å; V31-T47 PolarHBondContact N-O 3.21Å; V31-T47 PolarHBondContact O-N 3.46Å; Y33-T47 HydrophobicContact CD1-CG2 3.76Å; Y33-T47 HydrophobicContact CE1-CG2 4.48Å; Y33-T47 HydrophobicContact CG-CG2 4.36Å; T47-S49 PolarHBondContact OG1-N 2.92Å; T47-S49 PolarHBondContact OG1-OG 2.8Å; T47-K50 HydrophobicContact CG2-CB 3.85Å; T47-K50 HydrophobicContact CG2-CD 3.95Å; T47-K50 HydrophobicContact CG2-CG 3.87Å; T47-K50 WeakPolarHBondContact OG1-CG 3.36Å; T47-K50 PolarHBondContact OG1-N 3.33Å
48R96.3Very high93.6Very high6 Ų650.6 Ų50.62%0.02328%0.276CS..SBendtrans-117.2-11.7167.3-70.8-178.161.480.6-0.5112.3I11 D15 L17 E20 V28 R29 R77 E114I11-R48 HydrophobicContact CD1-CG 4.44Å; D15-R48 PolarHBondContact O-N 3.35Å; L17-R48 WeakPolarHBondContact CD2-O 3.3Å; E20-R48 IonicContact OE1-CZ 2.65Å; E20-R48 IonicContact OE1-NE 3.73Å; E20-R48 PolarHBondContact OE1-NE 3Å; E20-R48 IonicContact OE1-NH2 2.92Å; E20-R48 PolarHBondContact OE1-NH2 2.97Å; E20-R48 IonicContact OE2-NE 3.36Å; E20-R48 PolarHBondContact OE2-NE 3.48Å; E20-R48 VanDerWaalsContact OE2-NE 3.16Å; V28-R48 VanDerWaalsContact CG1-CD 3.45Å; R29-R48 WeakPolarHBondContact O-CD 3.44Å; R29-R48 WeakPolarHBondContact O-CG 3.33Å; R29-R48 PolarHBondContact O-NH1 2.9Å; R48-R77 PolarHBondContact O-NH1 2.98Å; R48-R77 PolarHBondContact O-NH2 2.9Å; R48-E114 IonicContact CZ-OE1 3.66Å; R48-E114 IonicContact NH1-OE1 3.16Å; R48-E114 PolarHBondContact NH1-OE1 2.78Å; R48-E114 PolarHBondContact NH2-O 3.26Å; R48-E114 IonicContact NH2-OE1 2.85Å
49S96Very high94.1Very high17 Ų1750.1 Ų50.112%0.11927%0.27CS..SBendtrans-92.8-32.7-17659.70000112.9E14 D15 T47 R77 P79E14-S49 PolarHBondContact O-OG 3.32Å; D15-S49 WeakPolarHBondContact CA-OG 3.31Å; D15-S49 PolarHBondContact O-N 3.32Å; T47-S49 PolarHBondContact OG1-N 2.92Å; T47-S49 PolarHBondContact OG1-OG 2.8Å; S49-R77 PolarHBondContact O-NH1 3.15Å; S49-P79 WeakPolarHBondContact O-CG 3.42Å
50K95.7Very high94.7Very high69 Ų6950.2 Ų50.230%0.325%0.253SS..SBendtrans-67.6157.2-177-56.5-174.7-172.5179.30113.8T47 E52 M53 R77T47-K50 HydrophobicContact CG2-CB 3.85Å; T47-K50 HydrophobicContact CG2-CD 3.95Å; T47-K50 HydrophobicContact CG2-CG 3.87Å; T47-K50 WeakPolarHBondContact OG1-CG 3.36Å; T47-K50 PolarHBondContact OG1-N 3.33Å; K50-E52 WeakPolarHBondContact CB-OE2 3.21Å; K50-E52 PolarHBondContact O-N 2.73Å; K50-M53 WeakPolarHBondContact O-CB 3.41Å; K50-M53 PolarHBondContact O-N 3.47Å; K50-R77 PolarHBondContact O-NH1 2.75Å
51P96.8Very high95.5Very high48 Ų4841.5 Ų41.531%0.31222%0.223SC..Hα-helixtrans-58.8-28.6-179.7-25.635.9000114.8M53 L54 I55 A75P51-M53 PolarHBondContact O-N 3.11Å; P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.1Å; P51-L54 PolarHBondContact O-N 2.97Å; P51-I55 PolarHBondContact O-N 3.5Å; P51-A75 HydrophobicContact CB-CB 4.13Å
52E96.5Very high96.1Very high92 Ų9239.3 Ų39.343%0.4320%0.201SC..Hα-helixtrans-59.8-31.1178.7-61.383172.100112V31 K50 L54 I55 E56V31-E52 HydrophobicContact CG1-CB 4.22Å; K50-E52 WeakPolarHBondContact CB-OE2 3.21Å; K50-E52 PolarHBondContact O-N 2.73Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.4Å; E52-I55 PolarHBondContact O-N 3.29Å; E52-E56 WeakPolarHBondContact O-CG 3.3Å; E52-E56 PolarHBondContact O-N 3.34Å
53M97.2Very high96.3Very high4 Ų439 Ų392%0.0219%0.193CC..Hα-helixtrans-59.4-42.6173.7-176.764.8-171.400111.5R29 G30 V31 K50 P51 L57 E114 L115R29-M53 HydrophobicContact CB-CE 4.11Å; G30-M53 VanDerWaalsContact CA-SD 3.57Å; V31-M53 HydrophobicContact CG2-CB 4.38Å; V31-M53 HydrophobicContact CG2-SD 3.98Å; K50-M53 WeakPolarHBondContact O-CB 3.41Å; K50-M53 PolarHBondContact O-N 3.47Å; P51-M53 PolarHBondContact O-N 3.11Å; M53-L57 HydrophobicContact CE-CD1 3.82Å; M53-L57 HydrophobicContact CE-CD2 3.96Å; M53-L57 HydrophobicContact CE-CG 3.88Å; M53-L57 HydrophobicContact CG-CD1 4.4Å; M53-L57 WeakPolarHBondContact O-CB 3.14Å; M53-L57 VanDerWaalsContact O-CG 3.23Å; M53-L57 WeakPolarHBondContact O-CG 3.41Å; M53-L57 PolarHBondContact O-N 2.88Å; M53-L57 VanDerWaalsContact O-N 3.09Å; M53-E114 HydrophobicContact CE-CG 4.46Å; M53-L115 HydrophobicContact CE-CD2 4.37Å; M53-L115 HydrophobicContact CG-CD2 3.85Å
54L97.1Very high96.5Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-66.6-45.3178.9-175.264.7000110.8P51 E52 E56 L57 F58 A83 I85 V111 L115 I120P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.1Å; P51-L54 PolarHBondContact O-N 2.97Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.4Å; L54-E56 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 3.35Å; L54-F58 HydrophobicContact CD1-CD2 3.96Å; L54-F58 HydrophobicContact CD1-CE2 3.72Å; L54-F58 HydrophobicContact CG-CD2 4.12Å; L54-F58 HydrophobicContact CG-CE2 4.19Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.39Å; L54-A83 HydrophobicContact CD2-CB 3.54Å; L54-I85 HydrophobicContact CD2-CG2 3.36Å; L54-I85 HydrophobicContact CG-CG2 3.9Å; L54-V111 HydrophobicContact CD1-CG1 3.83Å; L54-L115 HydrophobicContact CD1-CD1 3.53Å; L54-I120 HydrophobicContact CD1-CD1 3.82Å; L54-I120 HydrophobicContact CD1-CG1 4.2Å
55I97.3Very high96.6Very high42 Ų4236.9 Ų36.922%0.21518%0.183CC..Hα-helixtrans-58.2-50.2179.2-66.6169.2000110.8P51 E52 L57 F58 R59 I72 A75P51-I55 PolarHBondContact O-N 3.5Å; E52-I55 PolarHBondContact O-N 3.29Å; I55-L57 PolarHBondContact O-N 2.7Å; I55-F58 PolarHBondContact O-N 3.05Å; I55-R59 PolarHBondContact O-N 3.45Å; I55-I72 HydrophobicContact CG1-CG2 4.25Å; I55-I72 HydrophobicContact CG2-CD1 4.14Å; I55-A75 HydrophobicContact CD1-CB 4.01Å; I55-A75 HydrophobicContact CG1-CB 3.9Å
56E96.6Very high96.5Very high73 Ų7338.7 Ų38.734%0.34120%0.203SC..Hα-helixtrans-69.8-32.1-177.7-70.4-56.2123.700112.7V31 E52 L54 R59 I60V31-E56 HydrophobicContact CG2-CB 3.99Å; V31-E56 HydrophobicContact CG2-CG 4.01Å; E52-E56 WeakPolarHBondContact O-CG 3.3Å; E52-E56 PolarHBondContact O-N 3.34Å; L54-E56 PolarHBondContact O-N 2.89Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 IonicContact OE1-CZ 2.73Å; E56-R59 IonicContact OE1-NE 3.67Å; E56-R59 PolarHBondContact OE1-NE 3.27Å; E56-R59 IonicContact OE1-NH2 2.76Å; E56-R59 IonicContact OE2-NE 3.42Å; E56-I60 WeakPolarHBondContact O-CG1 3.27Å; E56-I60 PolarHBondContact O-N 2.88Å; E56-I60 VanDerWaalsContact O-N 3.11Å
57L97.1Very high96.3Very high11 Ų1145 Ų456%0.05823%0.232CC..Hα-helixtrans-64.5-43.7171.1-73.9178.4000112.2M53 L54 I55 R59 I60 E61 V111 E114 L115M53-L57 HydrophobicContact CE-CD1 3.82Å; M53-L57 HydrophobicContact CE-CD2 3.96Å; M53-L57 HydrophobicContact CE-CG 3.88Å; M53-L57 HydrophobicContact CG-CD1 4.4Å; M53-L57 WeakPolarHBondContact O-CB 3.14Å; M53-L57 VanDerWaalsContact O-CG 3.23Å; M53-L57 WeakPolarHBondContact O-CG 3.41Å; M53-L57 PolarHBondContact O-N 2.88Å; M53-L57 VanDerWaalsContact O-N 3.09Å; L54-L57 PolarHBondContact O-N 3.35Å; I55-L57 PolarHBondContact O-N 2.7Å; L57-R59 VanDerWaalsContact C-N 3.33Å; L57-I60 PolarHBondContact O-N 3.48Å; L57-E61 WeakPolarHBondContact O-CB 3.49Å; L57-E61 PolarHBondContact O-N 3.38Å; L57-V111 HydrophobicContact CB-CG1 3.81Å; L57-V111 HydrophobicContact CB-CG2 4.23Å; L57-V111 HydrophobicContact CD1-CG1 3.95Å; L57-E114 HydrophobicContact CD1-CB 4.1Å; L57-E114 HydrophobicContact CD1-CG 3.69Å; L57-E114 HydrophobicContact CD2-CB 4.47Å; L57-E114 HydrophobicContact CD2-CG 3.68Å; L57-E114 HydrophobicContact CG-CG 4.35Å; L57-L115 HydrophobicContact CD1-CD1 4.04Å; L57-L115 HydrophobicContact CD1-CD2 3.51Å; L57-L115 HydrophobicContact CD1-CG 3.62Å
58F97.8Very high96.2Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-64.9-37.5175-91.1-78.8000112.3L54 I55 I60 E61 V62 I65 I72 I85 C100 V108 V111 I120 I122L54-F58 HydrophobicContact CD1-CD2 3.96Å; L54-F58 HydrophobicContact CD1-CE2 3.72Å; L54-F58 HydrophobicContact CG-CD2 4.12Å; L54-F58 HydrophobicContact CG-CE2 4.19Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.39Å; I55-F58 PolarHBondContact O-N 3.05Å; F58-I60 VanDerWaalsContact C-N 3.28Å; F58-I60 PolarHBondContact O-N 3.34Å; F58-E61 PolarHBondContact O-N 2.96Å; F58-V62 HydrophobicContact CD1-CG2 3.86Å; F58-V62 VanDerWaalsContact O-CB 3.27Å; F58-V62 WeakPolarHBondContact O-CB 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.3Å; F58-V62 PolarHBondContact O-N 3.16Å; F58-I65 HydrophobicContact CB-CD1 4.06Å; F58-I72 HydrophobicContact CB-CD1 3.81Å; F58-I85 HydrophobicContact CD1-CD1 4.01Å; F58-I85 HydrophobicContact CD2-CD1 3.71Å; F58-I85 HydrophobicContact CE1-CD1 3.91Å; F58-I85 HydrophobicContact CE2-CD1 3.58Å; F58-I85 HydrophobicContact CE2-CG1 4.43Å; F58-I85 HydrophobicContact CG-CD1 3.92Å; F58-I85 HydrophobicContact CZ-CD1 3.68Å; F58-C100 HydrophobicContact CD1-CB 4.35Å; F58-C100 HydrophobicContact CE1-CB 4.1Å; F58-V108 HydrophobicContact CZ-CB 4.46Å; F58-V108 HydrophobicContact CZ-CG2 4.13Å; F58-V111 HydrophobicContact CD1-CG2 4.44Å; F58-V111 HydrophobicContact CD2-CG1 4.05Å; F58-V111 HydrophobicContact CD2-CG2 4.36Å; F58-V111 HydrophobicContact CE1-CG2 4.46Å; F58-V111 HydrophobicContact CE2-CB 4.34Å; F58-V111 HydrophobicContact CE2-CG1 3.85Å; F58-V111 HydrophobicContact CE2-CG2 4.39Å; F58-V111 HydrophobicContact CG-CG2 4.39Å; F58-V111 HydrophobicContact CZ-CB 4.5Å; F58-V111 HydrophobicContact CZ-CG1 4.47Å; F58-V111 HydrophobicContact CZ-CG2 4.44Å; F58-I120 HydrophobicContact CE2-CD1 4.27Å; F58-I120 HydrophobicContact CE2-CG2 3.83Å; F58-I120 HydrophobicContact CZ-CG2 3.85Å; F58-I122 HydrophobicContact CE1-CD1 3.9Å; F58-I122 HydrophobicContact CE1-CG1 4.47Å; F58-I122 HydrophobicContact CZ-CD1 3.95Å; F58-I122 HydrophobicContact CZ-CG1 4.18Å
59R96.7Very high96.1Very high99 Ų9955.4 Ų55.437%0.37428%0.284SS..Hα-helixtrans-59.1-38.5174.4-173.2-174.8-61.2-74.1-0112.4I55 E56 L57 I65I55-R59 PolarHBondContact O-N 3.45Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 IonicContact OE1-CZ 2.73Å; E56-R59 IonicContact OE1-NE 3.67Å; E56-R59 PolarHBondContact OE1-NE 3.27Å; E56-R59 IonicContact OE1-NH2 2.76Å; E56-R59 IonicContact OE2-NE 3.42Å; L57-R59 VanDerWaalsContact C-N 3.33Å; R59-I65 HydrophobicContact CB-CG2 4.19Å; R59-I65 HydrophobicContact CG-CG2 4.32Å
60I95.8Very high96.2Very high116 Ų11654.7 Ų54.760%0.59528%0.279SS*.Hα-helixtrans-73.2-42176.9-67.3166.5000111.3E56 L57 F58E56-I60 WeakPolarHBondContact O-CG1 3.27Å; E56-I60 PolarHBondContact O-N 2.88Å; E56-I60 VanDerWaalsContact O-N 3.11Å; L57-I60 PolarHBondContact O-N 3.48Å; F58-I60 VanDerWaalsContact C-N 3.28Å; F58-I60 PolarHBondContact O-N 3.34Å
61E96.7Very high96.3Very high69 Ų6955.9 Ų55.932%0.32229%0.285SS..Hα-helixtrans-80.4-26.9-172.9-170.562.5-150.900113.3L57 F58 P63 R107 A110 V111L57-E61 WeakPolarHBondContact O-CB 3.49Å; L57-E61 PolarHBondContact O-N 3.38Å; F58-E61 PolarHBondContact O-N 2.96Å; E61-P63 WeakPolarHBondContact O-CD 3.43Å; E61-R107 HydrophobicContact CG-CB 3.68Å; E61-R107 HydrophobicContact CG-CG 3.97Å; E61-A110 HydrophobicContact CG-CB 4.39Å; E61-V111 HydrophobicContact CB-CG2 3.95Å; E61-V111 HydrophobicContact CG-CG2 4.1Å
62V97Very high96.3Very high0 Ų054.9 Ų54.90%028%0.277CS..  trans-115.198.7-176.2-173.70000109.3F58 E64 I65 G66 C100F58-V62 HydrophobicContact CD1-CG2 3.86Å; F58-V62 VanDerWaalsContact O-CB 3.27Å; F58-V62 WeakPolarHBondContact O-CB 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.3Å; F58-V62 PolarHBondContact O-N 3.16Å; V62-E64 HydrophobicContact CG1-CB 4.2Å; V62-E64 VanDerWaalsContact CG1-OE2 3.24Å; V62-E64 WeakPolarHBondContact CG1-OE2 3.47Å; V62-E64 PolarHBondContact O-N 3.41Å; V62-E64 VanDerWaalsContact O-N 3.14Å; V62-I65 HydrophobicContact CB-CB 4.39Å; V62-I65 HydrophobicContact CB-CD1 3.71Å; V62-I65 HydrophobicContact CB-CG1 4.01Å; V62-I65 HydrophobicContact CG1-CD1 3.9Å; V62-I65 HydrophobicContact CG1-CG1 3.84Å; V62-I65 HydrophobicContact CG2-CD1 4.09Å; V62-I65 PolarHBondContact O-N 2.75Å; V62-G66 PolarHBondContact O-N 3.13Å; V62-C100 HydrophobicContact CG2-CB 4.38Å
63P95.6Very high96.4Very high63 Ų6354.1 Ų54.141%0.40927%0.272SS..Hα-helixtrans-53.2-36.7-179.6-27.634.9000113.4E61 I65 G66 E67E61-P63 WeakPolarHBondContact O-CD 3.43Å; P63-I65 PolarHBondContact O-N 2.99Å; P63-G66 WeakPolarHBondContact O-CA 3.38Å; P63-G66 PolarHBondContact O-N 2.86Å; P63-E67 WeakPolarHBondContact O-CG 3.45Å; P63-E67 PolarHBondContact O-N 3.38Å
64E96.9Very high96.4Very high48 Ų4855 Ų5522%0.22428%0.28CS..Hα-helixtrans-62.5-25.4-179.6-59.487.5165.100112.9V62 V69 I70 R107V62-E64 HydrophobicContact CG1-CB 4.2Å; V62-E64 VanDerWaalsContact CG1-OE2 3.24Å; V62-E64 WeakPolarHBondContact CG1-OE2 3.47Å; V62-E64 PolarHBondContact O-N 3.41Å; V62-E64 VanDerWaalsContact O-N 3.14Å; E64-V69 HydrophobicContact CB-CB 4.37Å; E64-V69 WeakPolarHBondContact O-CA 3.31Å; E64-V69 WeakPolarHBondContact O-CB 3.38Å; E64-V69 PolarHBondContact O-N 3.33Å; E64-I70 HydrophobicContact CB-CB 4.49Å; E64-I70 HydrophobicContact CB-CD1 3.67Å; E64-I70 HydrophobicContact CB-CG1 4Å; E64-I70 HydrophobicContact CG-CD1 4.39Å; E64-I70 PolarHBondContact O-N 3.47Å; E64-R107 IonicContact OE1-NH1 3.56Å; E64-R107 PolarHBondContact OE1-NH1 2.95Å; E64-R107 IonicContact OE1-NH2 3.03Å; E64-R107 IonicContact OE2-CZ 2.64Å; E64-R107 IonicContact OE2-NH1 3.27Å; E64-R107 PolarHBondContact OE2-NH1 3.44Å; E64-R107 IonicContact OE2-NH2 2.72Å
65I96.8Very high96.4Very high4 Ų456 Ų562%0.02129%0.289CS..Hα-helixtrans-78.9-39.2172.8-64.2170000110.8F58 R59 V62 P63 E67 E68 I70 I72F58-I65 HydrophobicContact CB-CD1 4.06Å; R59-I65 HydrophobicContact CB-CG2 4.19Å; R59-I65 HydrophobicContact CG-CG2 4.32Å; V62-I65 HydrophobicContact CB-CB 4.39Å; V62-I65 HydrophobicContact CB-CD1 3.71Å; V62-I65 HydrophobicContact CB-CG1 4.01Å; V62-I65 HydrophobicContact CG1-CD1 3.9Å; V62-I65 HydrophobicContact CG1-CG1 3.84Å; V62-I65 HydrophobicContact CG2-CD1 4.09Å; V62-I65 PolarHBondContact O-N 2.75Å; P63-I65 PolarHBondContact O-N 2.99Å; I65-E67 VanDerWaalsContact C-N 3.28Å; I65-E67 PolarHBondContact O-N 3.48Å; I65-E68 PolarHBondContact O-N 3.49Å; I65-I70 WeakPolarHBondContact CA-O 3.26Å; I65-I70 HydrophobicContact CG1-CB 3.95Å; I65-I70 HydrophobicContact CG1-CG2 3.95Å; I65-I72 HydrophobicContact CD1-CD1 3.77Å; I65-I72 HydrophobicContact CD1-CG1 3.86Å; I65-I72 HydrophobicContact CG2-CD1 4.14Å; I65-I72 HydrophobicContact CG2-CG1 4.33Å
66G92.8Very high96.4Very high45 Ų4554.2 Ų54.246%0.46428%0.281SS..Hα-helixtrans-66.3-30.4175.200000113.4V62 P63 E68V62-G66 PolarHBondContact O-N 3.13Å; P63-G66 WeakPolarHBondContact O-CA 3.38Å; P63-G66 PolarHBondContact O-N 2.86Å; G66-E68 VanDerWaalsContact C-N 3.3Å
67E94Very high96.4Very high140 Ų14051.5 Ų51.565%0.65427%0.267SS*.THydrogen-bonded Turntrans-87.26.4176.3-66.6175.5-17600113.4P63 I65 V69P63-E67 WeakPolarHBondContact O-CG 3.45Å; P63-E67 PolarHBondContact O-N 3.38Å; I65-E67 VanDerWaalsContact C-N 3.28Å; I65-E67 PolarHBondContact O-N 3.48Å; E67-V69 HydrophobicContact CB-CG2 4.03Å; E67-V69 PolarHBondContact O-N 3.47Å; E67-V69 VanDerWaalsContact O-N 3.16Å
68E93Very high96.4Very high176 Ų17652 Ų5282%0.82227%0.27SS*.THydrogen-bonded Turntrans59.422179.9-54.4-177.816100114.4I65 G66I65-E68 PolarHBondContact O-N 3.49Å; G66-E68 VanDerWaalsContact C-N 3.3Å
69V95.8Very high96.3Very high47 Ų4754 Ų5429%0.28528%0.282SS..SBendtrans-81.5-35.9175.6-179.50000110.8E64 E67 T89 I94E64-V69 HydrophobicContact CB-CB 4.37Å; E64-V69 WeakPolarHBondContact O-CA 3.31Å; E64-V69 WeakPolarHBondContact O-CB 3.38Å; E64-V69 PolarHBondContact O-N 3.33Å; E67-V69 HydrophobicContact CB-CG2 4.03Å; E67-V69 PolarHBondContact O-N 3.47Å; E67-V69 VanDerWaalsContact O-N 3.16Å; V69-T89 WeakPolarHBondContact O-CB 3.35Å; V69-T89 PolarHBondContact O-OG1 3.33Å; V69-I94 HydrophobicContact CG1-CD1 3.19Å
70I97.4Very high96.1Very high2 Ų250.2 Ų50.21%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-115.7135.1172-62.2172.2000108.2E64 I65 V87 K88 I94 P96 A99E64-I70 HydrophobicContact CB-CB 4.49Å; E64-I70 HydrophobicContact CB-CD1 3.67Å; E64-I70 HydrophobicContact CB-CG1 4Å; E64-I70 HydrophobicContact CG-CD1 4.39Å; E64-I70 PolarHBondContact O-N 3.47Å; I65-I70 WeakPolarHBondContact CA-O 3.26Å; I65-I70 HydrophobicContact CG1-CB 3.95Å; I65-I70 HydrophobicContact CG1-CG2 3.95Å; I70-V87 HydrophobicContact CG2-CB 4.1Å; I70-V87 HydrophobicContact CG2-CG1 4.49Å; I70-K88 WeakPolarHBondContact CA-O 3.41Å; I70-I94 HydrophobicContact CD1-CG2 4.05Å; I70-I94 HydrophobicContact CG1-CG2 4.23Å; I70-P96 HydrophobicContact CD1-CB 4.14Å; I70-P96 HydrophobicContact CG1-CB 4.18Å; I70-P96 HydrophobicContact CG2-CB 3.95Å; I70-A99 HydrophobicContact CD1-CB 3.39Å
71E97Very high96.1Very high94 Ų9447.4 Ų47.444%0.43927%0.265SS..EExtended strand (participates in β ladder)trans-110132.8177.1-166.6-174.6158.700109.7K73 V87 K88E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 HydrophobicContact CG-CD 4.33Å; E71-K73 WeakPolarHBondContact OE1-CE 3.2Å; E71-K73 IonicContact OE1-NZ 3.88Å; E71-K73 PolarHBondContact OE1-NZ 3.24Å; E71-K73 WeakPolarHBondContact OE2-CE 3.14Å; E71-K73 IonicContact OE2-NZ 3.7Å; E71-K73 PolarHBondContact OE2-NZ 2.88Å; E71-V87 CarbonylContact O-C 3.44Å; E71-V87 WeakPolarHBondContact O-CA 3.43Å; E71-K88 PolarHBondContact N-O 3.33Å; E71-K88 PolarHBondContact O-N 2.94Å
72I97.6Very high96.1Very high27 Ų2745 Ų4514%0.13825%0.254CS..EExtended strand (participates in β ladder)trans-86111.8167.4-58.6170.1000107I55 F58 I65 A86 V87I55-I72 HydrophobicContact CG1-CG2 4.25Å; I55-I72 HydrophobicContact CG2-CD1 4.14Å; F58-I72 HydrophobicContact CB-CD1 3.81Å; I65-I72 HydrophobicContact CD1-CD1 3.77Å; I65-I72 HydrophobicContact CD1-CG1 3.86Å; I65-I72 HydrophobicContact CG2-CD1 4.14Å; I65-I72 HydrophobicContact CG2-CG1 4.33Å; I72-A86 CarbonylContact C-O 3.59Å; I72-V87 HydrophobicContact CG1-CG1 4.16Å
73K97.4Very high96.1Very high76 Ų7645 Ų4533%0.3325%0.254SS..EExtended strand (participates in β ladder)trans-84.7-36.1-175.5-71-67.4-169.5-171.30113.2E71 A86 K88 W125E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 HydrophobicContact CG-CD 4.33Å; E71-K73 WeakPolarHBondContact OE1-CE 3.2Å; E71-K73 IonicContact OE1-NZ 3.88Å; E71-K73 PolarHBondContact OE1-NZ 3.24Å; E71-K73 WeakPolarHBondContact OE2-CE 3.14Å; E71-K73 IonicContact OE2-NZ 3.7Å; E71-K73 PolarHBondContact OE2-NZ 2.88Å; K73-A86 PolarHBondContact N-O 2.93Å; K73-K88 HydrophobicContact CG-CB 3.97Å; K73-W125 HydrophobicContact CB-CB 4.27Å; K73-W125 HydrophobicContact CB-CD2 3.47Å; K73-W125 VanDerWaalsContact CB-CD2 3.47Å; K73-W125 HydrophobicContact CB-CE3 3.24Å; K73-W125 HydrophobicContact CB-CG 3.92Å; K73-W125 HydrophobicContact CB-CH2 4.47Å; K73-W125 HydrophobicContact CB-CZ3 3.79Å; K73-W125 HydrophobicContact CD-CD2 4.44Å; K73-W125 HydrophobicContact CG-CB 4.02Å; K73-W125 HydrophobicContact CG-CD2 3.65Å; K73-W125 HydrophobicContact CG-CE3 3.99Å; K73-W125 HydrophobicContact CG-CG 3.64Å
74A97.3Very high96.2Very high22 Ų2242 Ų4218%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-152.6153.6179.300000110.7I85 A86 W125 L180A74-I85 WeakPolarHBondContact O-CA 3.2Å; A74-A86 HydrophobicContact CB-CB 4.22Å; A74-A86 PolarHBondContact O-N 3.42Å; A74-W125 HydrophobicContact CB-CZ3 4.1Å; A74-L180 HydrophobicContact CB-CD1 3.58Å; A74-L180 HydrophobicContact CB-CG 4.09Å; A74-L180 WeakPolarHBondContact CB-O 3.48Å
75A97.9Very high96.3Very high23 Ų2339.8 Ų39.819%0.1922%0.223CC..EExtended strand (participates in β ladder)trans-141.3124.6173.400000109.5P51 I55 K84 I85P51-A75 HydrophobicContact CB-CB 4.13Å; I55-A75 HydrophobicContact CD1-CB 4.01Å; I55-A75 HydrophobicContact CG1-CB 3.9Å; A75-K84 WeakPolarHBondContact CA-O 3.29Å; A75-I85 HydrophobicContact CB-CG2 3.98Å
76A97.7Very high96.3Very high4 Ų439.6 Ų39.63%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-121.7138.9175.300000109.1A83 K84 L176 Q179 L180A76-A83 CarbonylContact O-C 3.56Å; A76-A83 VanDerWaalsContact O-CA 3.27Å; A76-A83 WeakPolarHBondContact O-CA 3.4Å; A76-A83 WeakPolarHBondContact O-CB 3.24Å; A76-K84 PolarHBondContact N-O 2.73Å; A76-K84 PolarHBondContact O-N 2.9Å; A76-L176 HydrophobicContact CB-CD2 4.15Å; A76-L176 VanDerWaalsContact CB-O 3.3Å; A76-L176 WeakPolarHBondContact CB-O 3.46Å; A76-Q179 HydrophobicContact CB-CB 3.75Å; A76-L180 HydrophobicContact CB-CB 3.91Å; A76-L180 HydrophobicContact CB-CD1 4.09Å
77R96.7Very high96.6Very high16 Ų1637.4 Ų37.46%0.0620%0.2CC..EExtended strand (participates in β ladder)trans-150.7133-166.1-177.5167.9-173.3-132.8-3.8113.7L17 R48 S49 K50 P79 A83 E118L17-R77 VanDerWaalsContact CD2-NH2 3.33Å; R48-R77 PolarHBondContact O-NH1 2.98Å; R48-R77 PolarHBondContact O-NH2 2.9Å; S49-R77 PolarHBondContact O-NH1 3.15Å; K50-R77 PolarHBondContact O-NH1 2.75Å; R77-P79 HydrophobicContact CG-CG 4.14Å; R77-P79 WeakPolarHBondContact O-CD 3.47Å; R77-A83 HydrophobicContact CB-CB 4.06Å; R77-A83 HydrophobicContact CG-CB 3.99Å; R77-E118 WeakPolarHBondContact CD-OE1 3.33Å; R77-E118 WeakPolarHBondContact CG-OE1 3.45Å; R77-E118 IonicContact CZ-OE1 2.63Å; R77-E118 IonicContact CZ-OE2 2.67Å; R77-E118 IonicContact NE-OE1 3.3Å; R77-E118 PolarHBondContact NE-OE1 3.08Å; R77-E118 IonicContact NE-OE2 2.98Å; R77-E118 PolarHBondContact NE-OE2 3.22Å; R77-E118 IonicContact NH2-OE1 3.16Å; R77-E118 IonicContact NH2-OE2 3.2Å; R77-E118 PolarHBondContact NH2-OE2 3.37Å
78D95.9Very high96.8Very high22 Ų2232.6 Ų32.612%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-100.699157.7-75.4-13.9000108.5G80 S81 R82 Q172 R175D78-G80 PolarHBondContact O-N 3.29Å; D78-S81 PolarHBondContact O-N 2.8Å; D78-R82 WeakPolarHBondContact CA-O 3.3Å; D78-R82 WeakPolarHBondContact CB-O 3.31Å; D78-R82 PolarHBondContact N-O 3.48Å; D78-R82 PolarHBondContact O-N 3.29Å; D78-R82 VanDerWaalsContact O-N 3.12Å; D78-Q172 WeakPolarHBondContact OD2-CG 3.49Å; D78-Q172 PolarHBondContact OD2-NE2 2.83Å; D78-R175 VanDerWaalsContact CG-NH2 3.33Å; D78-R175 IonicContact OD1-CZ 2.77Å; D78-R175 VanDerWaalsContact OD1-CZ 3.3Å; D78-R175 IonicContact OD1-NH1 3.99Å; D78-R175 PolarHBondContact OD1-NH1 3.29Å; D78-R175 IonicContact OD1-NH2 2.84Å; D78-R175 PolarHBondContact OD1-NH2 2.79Å; D78-R175 IonicContact OD2-CZ 3.89Å; D78-R175 IonicContact OD2-NH1 2.83Å; D78-R175 IonicContact OD2-NH2 3.17Å; D78-R175 PolarHBondContact OD2-NH2 3.23Å
79P95.8Very high97Very high40 Ų4025.5 Ų25.526%0.2615%0.146SC..THydrogen-bonded Turntrans-60.7127.7-166-24.835.9000112.8L17 P18 S49 R77 S81L17-P79 HydrophobicContact CD2-CB 3.55Å; P18-P79 WeakPolarHBondContact CD-O 3.38Å; S49-P79 WeakPolarHBondContact O-CG 3.42Å; R77-P79 HydrophobicContact CG-CG 4.14Å; R77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.47Å
80G93.7Very high96.8Very high21 Ų2130.1 Ų30.122%0.21617%0.169CC..THydrogen-bonded Turntrans77.38.9-178.400000114.4D78 E118D78-G80 PolarHBondContact O-N 3.29Å; G80-E118 PolarHBondContact N-OE2 3.44Å
81S95.5Very high96.6Very high56 Ų5632.1 Ų32.139%0.39218%0.18SC..THydrogen-bonded Turntrans-128.4-68.5-178-175.40000112.1D78 P79 R119 Q172D78-S81 PolarHBondContact O-N 2.8Å; P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.47Å; S81-R119 PolarHBondContact O-N 2.93Å; S81-Q172 PolarHBondContact OG-NE2 2.89Å
82R96.2Very high96.3Very high20 Ų2037.6 Ų37.68%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-152.8145.7-179.1-166.6175.8-171178.22111.2D78 R119 D121 Q172 L176D78-R82 WeakPolarHBondContact CA-O 3.3Å; D78-R82 WeakPolarHBondContact CB-O 3.31Å; D78-R82 PolarHBondContact N-O 3.48Å; D78-R82 PolarHBondContact O-N 3.29Å; D78-R82 VanDerWaalsContact O-N 3.12Å; R82-R119 CarbonylContact C-O 3.05Å; R82-R119 WeakPolarHBondContact CA-O 3.25Å; R82-R119 HydrophobicContact CB-CB 4.5Å; R82-R119 HydrophobicContact CG-CB 4.16Å; R82-R119 WeakPolarHBondContact CG-O 3.49Å; R82-D121 IonicContact CZ-OD2 2.68Å; R82-D121 IonicContact NE-OD1 2.77Å; R82-D121 IonicContact NE-OD2 3.26Å; R82-D121 PolarHBondContact NE-OD2 3.14Å; R82-D121 IonicContact NH2-OD1 3.75Å; R82-D121 PolarHBondContact NH2-OD1 3.43Å; R82-D121 IonicContact NH2-OD2 3.66Å; R82-D121 PolarHBondContact NH2-OD2 3.18Å; R82-Q172 VanDerWaalsContact CB-CD 3.46Å; R82-Q172 HydrophobicContact CB-CG 4.22Å; R82-L176 HydrophobicContact CB-CD1 3.92Å; R82-L176 HydrophobicContact CG-CD1 3.82Å
83A97.7Very high96.1Very high0 Ų046.6 Ų46.60%023%0.234CC..EExtended strand (participates in β ladder)trans-137.7160.9171.500000111.6L54 A76 R77 E118 R119 D121L54-A83 HydrophobicContact CD2-CB 3.54Å; A76-A83 CarbonylContact O-C 3.56Å; A76-A83 VanDerWaalsContact O-CA 3.27Å; A76-A83 WeakPolarHBondContact O-CA 3.4Å; A76-A83 WeakPolarHBondContact O-CB 3.24Å; R77-A83 HydrophobicContact CB-CB 4.06Å; R77-A83 HydrophobicContact CG-CB 3.99Å; A83-E118 WeakPolarHBondContact CB-OE1 3.46Å; A83-R119 PolarHBondContact N-O 3.31Å; A83-D121 PolarHBondContact O-N 2.99Å
84K97.9Very high95.9Very high0 Ų045.3 Ų45.30%023%0.231CC..EExtended strand (participates in β ladder)trans-125.6138167.5-59.7-170.4177-68.70109.2A75 A76 D121 A136 A138 N173 L176 L180A75-K84 WeakPolarHBondContact CA-O 3.29Å; A76-K84 PolarHBondContact N-O 2.73Å; A76-K84 PolarHBondContact O-N 2.9Å; K84-D121 CarbonylContact C-O 3.59Å; K84-D121 VanDerWaalsContact CA-O 3.28Å; K84-D121 WeakPolarHBondContact CA-O 3.48Å; K84-D121 HydrophobicContact CG-CB 4.16Å; K84-D121 IonicContact NZ-OD2 3.54Å; K84-D121 PolarHBondContact NZ-OD2 2.92Å; K84-A136 WeakPolarHBondContact CD-O 3.38Å; K84-A136 WeakPolarHBondContact CE-O 3.35Å; K84-A136 PolarHBondContact NZ-O 2.86Å; K84-A138 PolarHBondContact NZ-O 3.11Å; K84-N173 WeakPolarHBondContact CE-OD1 3.16Å; K84-N173 PolarHBondContact NZ-OD1 2.98Å; K84-L176 HydrophobicContact CD-CB 3.95Å; K84-L176 HydrophobicContact CG-CB 4.01Å; K84-L176 HydrophobicContact CG-CD1 4.4Å; K84-L180 HydrophobicContact CB-CD1 4.38Å; K84-L180 HydrophobicContact CB-CD2 3.85Å; K84-L180 HydrophobicContact CD-CD2 4.45Å
85I98Very high95.9Very high0 Ų048.9 Ų48.90%025%0.247CC..EExtended strand (participates in β ladder)trans-123.8139.6167.262.7165.1000110.1L54 F58 A74 A75 V87 D121 I122 V123L54-I85 HydrophobicContact CD2-CG2 3.36Å; L54-I85 HydrophobicContact CG-CG2 3.9Å; F58-I85 HydrophobicContact CD1-CD1 4.01Å; F58-I85 HydrophobicContact CD2-CD1 3.71Å; F58-I85 HydrophobicContact CE1-CD1 3.91Å; F58-I85 HydrophobicContact CE2-CD1 3.58Å; F58-I85 HydrophobicContact CE2-CG1 4.43Å; F58-I85 HydrophobicContact CG-CD1 3.92Å; F58-I85 HydrophobicContact CZ-CD1 3.68Å; A74-I85 WeakPolarHBondContact O-CA 3.2Å; A75-I85 HydrophobicContact CB-CG2 3.98Å; I85-V87 HydrophobicContact CD1-CG1 4.04Å; I85-V87 HydrophobicContact CG1-CG1 4.45Å; I85-D121 PolarHBondContact N-O 3.31Å; I85-I122 HydrophobicContact CD1-CG1 4.02Å; I85-I122 HydrophobicContact CD1-CG2 4.29Å; I85-I122 HydrophobicContact CG1-CB 4.22Å; I85-I122 HydrophobicContact CG1-CG1 3.85Å; I85-I122 HydrophobicContact CG1-CG2 4.11Å; I85-V123 WeakPolarHBondContact O-CG2 3.35Å; I85-V123 PolarHBondContact O-N 3.34Å
86A98.3Very high95.8Very high0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans-103.1126174.100000109.8I72 K73 A74 V123 W125 F132 L180I72-A86 CarbonylContact C-O 3.59Å; K73-A86 PolarHBondContact N-O 2.93Å; A74-A86 HydrophobicContact CB-CB 4.22Å; A74-A86 PolarHBondContact O-N 3.42Å; A86-V123 WeakPolarHBondContact CA-O 3.08Å; A86-V123 HydrophobicContact CB-CG2 4.03Å; A86-W125 HydrophobicContact CB-CB 4.34Å; A86-W125 HydrophobicContact CB-CE3 3.77Å; A86-F132 HydrophobicContact CB-CE2 3.44Å; A86-F132 VanDerWaalsContact CB-CE2 3.44Å; A86-F132 HydrophobicContact CB-CZ 3.57Å; A86-L180 HydrophobicContact CB-CD1 4.28Å; A86-L180 HydrophobicContact CB-CD2 4.16Å; A86-L180 HydrophobicContact CB-CG 4.29Å
87V98.2Very high95.8Very high0 Ų049.8 Ų49.80%025%0.249CC..EExtended strand (participates in β ladder)trans-122.1143.4-176.8-650000111.4I70 E71 I72 I85 P96 V97 I122 V123 W125I70-V87 HydrophobicContact CG2-CB 4.1Å; I70-V87 HydrophobicContact CG2-CG1 4.49Å; E71-V87 CarbonylContact O-C 3.44Å; E71-V87 WeakPolarHBondContact O-CA 3.43Å; I72-V87 HydrophobicContact CG1-CG1 4.16Å; I85-V87 HydrophobicContact CD1-CG1 4.04Å; I85-V87 HydrophobicContact CG1-CG1 4.45Å; V87-P96 HydrophobicContact CB-CB 4.26Å; V87-P96 HydrophobicContact CG2-CB 3.85Å; V87-P96 HydrophobicContact CG2-CG 4.29Å; V87-V97 HydrophobicContact CG2-CG2 4.14Å; V87-I122 HydrophobicContact CG1-CG2 4.34Å; V87-I122 HydrophobicContact CG2-CG2 3.75Å; V87-V123 PolarHBondContact N-O 2.99Å; V87-W125 PolarHBondContact O-N 2.93Å
88K97.7Very high95.8Very high39 Ų3950.5 Ų50.517%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-132.1152.7176.6-156.3-175.6-176179.60110.1I70 E71 K73 W125 D127I70-K88 WeakPolarHBondContact CA-O 3.41Å; E71-K88 PolarHBondContact N-O 3.33Å; E71-K88 PolarHBondContact O-N 2.94Å; K73-K88 HydrophobicContact CG-CB 3.97Å; K88-W125 HydrophobicContact CB-CB 4Å; K88-W125 HydrophobicContact CB-CG 4.41Å; K88-W125 HydrophobicContact CD-CG 4.47Å; K88-W125 HydrophobicContact CG-CB 4.4Å; K88-D127 IonicContact NZ-OD1 3.13Å; K88-D127 PolarHBondContact NZ-OD1 3.5Å; K88-D127 IonicContact NZ-OD2 3.65Å; K88-D127 PolarHBondContact NZ-OD2 3.48Å
89T96.7Very high95.9Very high27 Ų2750.1 Ų50.117%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-136.2150.3163.5-176.80000109.8V69 D91 I94 P96V69-T89 WeakPolarHBondContact O-CB 3.35Å; V69-T89 PolarHBondContact O-OG1 3.33Å; T89-D91 WeakPolarHBondContact CG2-O 3.46Å; T89-D91 PolarHBondContact OG1-N 2.93Å; T89-D91 VanDerWaalsContact OG1-N 3.13Å; T89-I94 HydrophobicContact CG2-CB 4.31Å; T89-I94 HydrophobicContact CG2-CG2 4.49Å; T89-I94 WeakPolarHBondContact CG2-O 3.25Å; T89-P96 HydrophobicContact CG2-CB 4.16Å; T89-P96 HydrophobicContact CG2-CG 4.04Å
90N91.5Very high96Very high143 Ų14348.2 Ų48.277%0.76525%0.249SC*.SBendtrans-88.7-13.2171.1-65.7-39.4000111.9K92N90-K92 PolarHBondContact O-N 3.33Å
91D93.5Very high96.2Very high44 Ų4449.5 Ų49.524%0.23525%0.252CS..  trans-88.5107.7177-168-22.5000110.6T89 R93 I94T89-D91 WeakPolarHBondContact CG2-O 3.46Å; T89-D91 PolarHBondContact OG1-N 2.93Å; T89-D91 VanDerWaalsContact OG1-N 3.13Å; D91-R93 PolarHBondContact O-N 3.4Å; D91-R93 VanDerWaalsContact OD1-CB 3.29Å; D91-R93 WeakPolarHBondContact OD1-CB 3.43Å; D91-R93 WeakPolarHBondContact OD1-CG 3.38Å; D91-R93 IonicContact OD1-CZ 2.65Å; D91-R93 PolarHBondContact OD1-N 2.85Å; D91-R93 IonicContact OD1-NE 3.83Å; D91-R93 PolarHBondContact OD1-NE 3.26Å; D91-R93 IonicContact OD1-NH2 2.81Å; D91-R93 IonicContact OD2-CZ 3.82Å; D91-R93 IonicContact OD2-NE 3.45Å; D91-R93 PolarHBondContact OD2-NE 2.75Å; D91-R93 IonicContact OD2-NH2 2.63Å; D91-R93 PolarHBondContact OD2-NH2 2.84Å; D91-I94 HydrophobicContact CB-CD1 3.99Å; D91-I94 HydrophobicContact CB-CG1 4.23Å; D91-I94 PolarHBondContact O-N 3.43Å
92K90.7Very high96.2Very high210 Ų21047.6 Ų47.691%0.91324%0.242SC*.THydrogen-bonded Turntrans-61.1-12.3179.9-61.3-173.1178.8-172.90114.5N90 I94N90-K92 PolarHBondContact O-N 3.33Å; K92-I94 VanDerWaalsContact C-N 3.35Å
93R93.7Very high96.1Very high215 Ų21554.9 Ų54.981%0.81128%0.279SS*.THydrogen-bonded Turntrans-86.9-10178.7-57.8171.6-64.8173.54.9112.5D91D91-R93 PolarHBondContact O-N 3.4Å; D91-R93 VanDerWaalsContact OD1-CB 3.29Å; D91-R93 WeakPolarHBondContact OD1-CB 3.43Å; D91-R93 WeakPolarHBondContact OD1-CG 3.38Å; D91-R93 IonicContact OD1-CZ 2.65Å; D91-R93 PolarHBondContact OD1-N 2.85Å; D91-R93 IonicContact OD1-NE 3.83Å; D91-R93 PolarHBondContact OD1-NE 3.26Å; D91-R93 IonicContact OD1-NH2 2.81Å; D91-R93 IonicContact OD2-CZ 3.82Å; D91-R93 IonicContact OD2-NE 3.45Å; D91-R93 PolarHBondContact OD2-NE 2.75Å; D91-R93 IonicContact OD2-NH2 2.63Å; D91-R93 PolarHBondContact OD2-NH2 2.84Å
94I93.6Very high95.9Very high50 Ų5067.3 Ų67.326%0.25633%0.326SS..  trans-109.7128.6-174.4-62.4177.5000108.5V69 I70 T89 D91 K92 P96V69-I94 HydrophobicContact CG1-CD1 3.19Å; I70-I94 HydrophobicContact CD1-CG2 4.05Å; I70-I94 HydrophobicContact CG1-CG2 4.23Å; T89-I94 HydrophobicContact CG2-CB 4.31Å; T89-I94 HydrophobicContact CG2-CG2 4.49Å; T89-I94 WeakPolarHBondContact CG2-O 3.25Å; D91-I94 HydrophobicContact CB-CD1 3.99Å; D91-I94 HydrophobicContact CB-CG1 4.23Å; D91-I94 PolarHBondContact O-N 3.43Å; K92-I94 VanDerWaalsContact C-N 3.35Å; I94-P96 WeakPolarHBondContact O-CD 3.24Å
95D96.4Very high95.8Very high97 Ų9767.7 Ų67.752%0.51933%0.33SS..  trans-87.4108.4166.5170.813.4000108.3V97 G98 A99D95-V97 VanDerWaalsContact C-N 3.31Å; D95-V97 PolarHBondContact O-N 3.15Å; D95-V97 PolarHBondContact OD1-N 2.91Å; D95-V97 VanDerWaalsContact OD1-N 3.09Å; D95-G98 VanDerWaalsContact CG-N 3.26Å; D95-G98 PolarHBondContact O-N 3.2Å; D95-G98 PolarHBondContact OD1-N 3.36Å; D95-G98 VanDerWaalsContact OD1-N 3.16Å; D95-G98 VanDerWaalsContact OD2-CA 3.32Å; D95-G98 WeakPolarHBondContact OD2-CA 3.48Å; D95-G98 PolarHBondContact OD2-N 3.44Å; D95-G98 VanDerWaalsContact OD2-N 3.13Å; D95-A99 WeakPolarHBondContact O-CB 3.46Å; D95-A99 PolarHBondContact O-N 2.81Å
96P97.1Very high95.8Very high8 Ų870.5 Ų70.55%0.05235%0.353CS..Hα-helixtrans-68.9-32.1-175.329.6-35.1000112.1I70 V87 T89 I94 C100 L124I70-P96 HydrophobicContact CD1-CB 4.14Å; I70-P96 HydrophobicContact CG1-CB 4.18Å; I70-P96 HydrophobicContact CG2-CB 3.95Å; V87-P96 HydrophobicContact CB-CB 4.26Å; V87-P96 HydrophobicContact CG2-CB 3.85Å; V87-P96 HydrophobicContact CG2-CG 4.29Å; T89-P96 HydrophobicContact CG2-CB 4.16Å; T89-P96 HydrophobicContact CG2-CG 4.04Å; I94-P96 WeakPolarHBondContact O-CD 3.24Å; P96-C100 PolarHBondContact O-N 3Å; P96-C100 VanDerWaalsContact O-N 3.14Å; P96-C100 PolarHBondContact O-SG 3.33Å; P96-L124 HydrophobicContact CG-CD1 3.57Å
97V97.3Very high95.8Very high38 Ų3873.3 Ų73.323%0.2336%0.364CS..Hα-helixtrans-69.9-49.3177.3179.30000109.1V87 D95 A99 C100 V101 I122 L124V87-V97 HydrophobicContact CG2-CG2 4.14Å; D95-V97 VanDerWaalsContact C-N 3.31Å; D95-V97 PolarHBondContact O-N 3.15Å; D95-V97 PolarHBondContact OD1-N 2.91Å; D95-V97 VanDerWaalsContact OD1-N 3.09Å; V97-A99 VanDerWaalsContact C-N 3.31Å; V97-A99 PolarHBondContact O-N 2.98Å; V97-C100 PolarHBondContact O-N 3.26Å; V97-C100 VanDerWaalsContact O-N 3.16Å; V97-V101 HydrophobicContact CG1-CG2 4.18Å; V97-V101 WeakPolarHBondContact O-CB 3.34Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.38Å; V97-V101 PolarHBondContact O-N 3Å; V97-I122 HydrophobicContact CB-CG2 4.44Å; V97-I122 HydrophobicContact CG1-CB 4.33Å; V97-I122 HydrophobicContact CG1-CG2 4.15Å; V97-I122 HydrophobicContact CG2-CG2 4.33Å; V97-L124 HydrophobicContact CG2-CB 4.34Å
98G97.2Very high95.7Very high30 Ų3074 Ų7431%0.30937%0.368SS..Hα-helixtrans-57.5-4117700000113.4D95 V101 G102D95-G98 VanDerWaalsContact CG-N 3.26Å; D95-G98 PolarHBondContact O-N 3.2Å; D95-G98 PolarHBondContact OD1-N 3.36Å; D95-G98 VanDerWaalsContact OD1-N 3.16Å; D95-G98 VanDerWaalsContact OD2-CA 3.32Å; D95-G98 WeakPolarHBondContact OD2-CA 3.48Å; D95-G98 PolarHBondContact OD2-N 3.44Å; D95-G98 VanDerWaalsContact OD2-N 3.13Å; G98-V101 PolarHBondContact O-N 3.41Å; G98-G102 PolarHBondContact O-N 3.12Å
99A97.2Very high95.7Very high15 Ų1577.6 Ų77.612%0.12439%0.385CS..Hα-helixtrans-64-41.9175.700000112.5I70 D95 V97 R107I70-A99 HydrophobicContact CD1-CB 3.39Å; D95-A99 WeakPolarHBondContact O-CB 3.46Å; D95-A99 PolarHBondContact O-N 2.81Å; V97-A99 VanDerWaalsContact C-N 3.31Å; V97-A99 PolarHBondContact O-N 2.98Å; A99-R107 VanDerWaalsContact O-CD 3.32Å; A99-R107 WeakPolarHBondContact O-CD 3.31Å; A99-R107 PolarHBondContact O-NH1 3.27Å
100C97.6Very high95.7Very high0 Ų078.1 Ų78.10%039%0.393CS..Hα-helixtrans-73-32.7178.2-68.60000113.3F58 V62 P96 V97 R107 I122F58-C100 HydrophobicContact CD1-CB 4.35Å; F58-C100 HydrophobicContact CE1-CB 4.1Å; V62-C100 HydrophobicContact CG2-CB 4.38Å; P96-C100 PolarHBondContact O-N 3Å; P96-C100 VanDerWaalsContact O-N 3.14Å; P96-C100 PolarHBondContact O-SG 3.33Å; V97-C100 PolarHBondContact O-N 3.26Å; V97-C100 VanDerWaalsContact O-N 3.16Å; C100-R107 WeakPolarHBondContact O-CB 3.35Å; C100-I122 HydrophobicContact CB-CD1 3.75Å; C100-I122 HydrophobicContact CB-CG2 4.04Å
101V97.6Very high96Very high47 Ų4771.4 Ų71.429%0.28536%0.357SS..Hα-helixtrans-71.1-43.4175.5172.90000110.4V97 G98 G105 A106 R107 V108 I122V97-V101 HydrophobicContact CG1-CG2 4.18Å; V97-V101 WeakPolarHBondContact O-CB 3.34Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.38Å; V97-V101 PolarHBondContact O-N 3Å; G98-V101 PolarHBondContact O-N 3.41Å; V101-G105 CarbonylContact O-C 3.6Å; V101-G105 WeakPolarHBondContact O-CA 3.42Å; V101-A106 PolarHBondContact O-N 2.89Å; V101-R107 PolarHBondContact O-N 3.47Å; V101-R107 VanDerWaalsContact O-N 3.16Å; V101-V108 HydrophobicContact CG1-CG1 4.36Å; V101-I122 HydrophobicContact CG2-CD1 3.76Å
102G95.6Very high96.2Very high17 Ų1770 Ų7018%0.17535%0.35CS..  trans70.9179.6-175.100000113.3G98 R104 G105G98-G102 PolarHBondContact O-N 3.12Å; G102-R104 PolarHBondContact O-N 2.87Å; G102-G105 PolarHBondContact O-N 2.83Å; G102-G105 VanDerWaalsContact O-N 3.1Å
103M94.8Very high96.4Very high172 Ų17265 Ų6585%0.84734%0.337SS*.G310 helixtrans-57.8115.5-178.7-70.4-168.3-71.400111.3G105 A106M103-G105 PolarHBondContact O-N 3.45Å; M103-A106 VanDerWaalsContact O-CB 3.26Å; M103-A106 WeakPolarHBondContact O-CB 3.45Å; M103-A106 PolarHBondContact O-N 2.97Å; M103-A106 VanDerWaalsContact O-N 3.09Å
104R94.5Very high96.5Very high261 Ų26157.4 Ų57.499%0.98531%0.311SS*.G310 helixtrans54.330.9-177.9-55.2179.9-173.9141.91.8113.9G102 A106G102-R104 PolarHBondContact O-N 2.87Å; R104-A106 VanDerWaalsContact C-N 3.34Å
105G95.5Very high96.6Very high8 Ų855 Ų558%0.08230%0.299CS..G310 helixtrans80.310.9-179.500000114.7V101 G102 M103 R107 V108 Q109V101-G105 CarbonylContact O-C 3.6Å; V101-G105 WeakPolarHBondContact O-CA 3.42Å; G102-G105 PolarHBondContact O-N 2.83Å; G102-G105 VanDerWaalsContact O-N 3.1Å; M103-G105 PolarHBondContact O-N 3.45Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.45Å; G105-V108 VanDerWaalsContact O-CG1 3.24Å; G105-V108 WeakPolarHBondContact O-CG1 3.49Å; G105-V108 PolarHBondContact O-N 2.98Å; G105-Q109 VanDerWaalsContact O-CB 3.26Å; G105-Q109 WeakPolarHBondContact O-CB 3.47Å; G105-Q109 WeakPolarHBondContact O-CG 3.43Å; G105-Q109 PolarHBondContact O-N 3.41Å
106A97.4Very high96.4Very high60 Ų6053.2 Ų53.250%0.49630%0.303SS..Hα-helixtrans-54.4-41.4-17400000113.7V101 M103 R104 A110V101-A106 PolarHBondContact O-N 2.89Å; M103-A106 VanDerWaalsContact O-CB 3.26Å; M103-A106 WeakPolarHBondContact O-CB 3.45Å; M103-A106 PolarHBondContact O-N 2.97Å; M103-A106 VanDerWaalsContact O-N 3.09Å; R104-A106 VanDerWaalsContact C-N 3.34Å; A106-A110 PolarHBondContact O-N 3.37Å; A106-A110 VanDerWaalsContact O-N 3.08Å
107R97.6Very high96.3Very high58 Ų5855.1 Ų55.122%0.21932%0.324CS..Hα-helixtrans-71.2-53.2-177.4-71.6-177.3-176.9178.2-6.4111.1E61 E64 A99 C100 V101 G105 Q109 A110 V111E61-R107 HydrophobicContact CG-CB 3.68Å; E61-R107 HydrophobicContact CG-CG 3.97Å; E64-R107 IonicContact OE1-NH1 3.56Å; E64-R107 PolarHBondContact OE1-NH1 2.95Å; E64-R107 IonicContact OE1-NH2 3.03Å; E64-R107 IonicContact OE2-CZ 2.64Å; E64-R107 IonicContact OE2-NH1 3.27Å; E64-R107 PolarHBondContact OE2-NH1 3.44Å; E64-R107 IonicContact OE2-NH2 2.72Å; A99-R107 VanDerWaalsContact O-CD 3.32Å; A99-R107 WeakPolarHBondContact O-CD 3.31Å; A99-R107 PolarHBondContact O-NH1 3.27Å; C100-R107 WeakPolarHBondContact O-CB 3.35Å; V101-R107 PolarHBondContact O-N 3.47Å; V101-R107 VanDerWaalsContact O-N 3.16Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.45Å; R107-Q109 VanDerWaalsContact C-N 3.25Å; R107-Q109 PolarHBondContact O-N 3.45Å; R107-A110 WeakPolarHBondContact O-CB 3.42Å; R107-A110 PolarHBondContact O-N 3.01Å; R107-A110 VanDerWaalsContact O-N 3.07Å; R107-V111 PolarHBondContact O-N 2.9Å; R107-V111 VanDerWaalsContact O-N 3.15Å
108V97.4Very high96.2Very high16 Ų1653.3 Ų53.310%0.09731%0.313CS..Hα-helixtrans-60.8-34.1177.162.80000112.6F58 V101 G105 V111 S112 I120 I122F58-V108 HydrophobicContact CZ-CB 4.46Å; F58-V108 HydrophobicContact CZ-CG2 4.13Å; V101-V108 HydrophobicContact CG1-CG1 4.36Å; G105-V108 VanDerWaalsContact O-CG1 3.24Å; G105-V108 WeakPolarHBondContact O-CG1 3.49Å; G105-V108 PolarHBondContact O-N 2.98Å; V108-V111 PolarHBondContact O-N 2.98Å; V108-S112 VanDerWaalsContact O-CB 3.32Å; V108-S112 WeakPolarHBondContact O-CB 3.31Å; V108-S112 PolarHBondContact O-N 3.44Å; V108-I120 HydrophobicContact CG2-CB 3.84Å; V108-I120 HydrophobicContact CG2-CD1 4.38Å; V108-I120 HydrophobicContact CG2-CG2 4.13Å; V108-I122 HydrophobicContact CB-CD1 3.99Å; V108-I122 HydrophobicContact CG2-CD1 3.95Å
109Q97.5Very high96.2Very high113 Ų11358.5 Ų58.553%0.52832%0.324SS..Hα-helixtrans-69.9-33.7175.7-70.7-63.6-19.900112.7G105 R107 S112 T113G105-Q109 VanDerWaalsContact O-CB 3.26Å; G105-Q109 WeakPolarHBondContact O-CB 3.47Å; G105-Q109 WeakPolarHBondContact O-CG 3.43Å; G105-Q109 PolarHBondContact O-N 3.41Å; R107-Q109 VanDerWaalsContact C-N 3.25Å; R107-Q109 PolarHBondContact O-N 3.45Å; Q109-S112 PolarHBondContact O-N 2.9Å; Q109-T113 WeakPolarHBondContact O-CB 3.43Å; Q109-T113 PolarHBondContact O-N 2.91Å; Q109-T113 PolarHBondContact O-OG1 3.46Å
110A97.2Very high96.2Very high38 Ų3858.9 Ų58.931%0.31432%0.323SS..Hα-helixtrans-63-46.9173.100000110.7E61 A106 R107 T113 E114E61-A110 HydrophobicContact CG-CB 4.39Å; A106-A110 PolarHBondContact O-N 3.37Å; A106-A110 VanDerWaalsContact O-N 3.08Å; R107-A110 WeakPolarHBondContact O-CB 3.42Å; R107-A110 PolarHBondContact O-N 3.01Å; R107-A110 VanDerWaalsContact O-N 3.07Å; A110-T113 PolarHBondContact O-N 3Å; A110-E114 PolarHBondContact O-N 2.76Å
111V97.3Very high96.1Very high3 Ų360.6 Ų60.62%0.01833%0.332CS..Hα-helixtrans-61.8-46.4174.6-179.20000111.7L54 L57 F58 E61 R107 V108 T113 E114 L115 I120L54-V111 HydrophobicContact CD1-CG1 3.83Å; L57-V111 HydrophobicContact CB-CG1 3.81Å; L57-V111 HydrophobicContact CB-CG2 4.23Å; L57-V111 HydrophobicContact CD1-CG1 3.95Å; F58-V111 HydrophobicContact CD1-CG2 4.44Å; F58-V111 HydrophobicContact CD2-CG1 4.05Å; F58-V111 HydrophobicContact CD2-CG2 4.36Å; F58-V111 HydrophobicContact CE1-CG2 4.46Å; F58-V111 HydrophobicContact CE2-CB 4.34Å; F58-V111 HydrophobicContact CE2-CG1 3.85Å; F58-V111 HydrophobicContact CE2-CG2 4.39Å; F58-V111 HydrophobicContact CG-CG2 4.39Å; F58-V111 HydrophobicContact CZ-CB 4.5Å; F58-V111 HydrophobicContact CZ-CG1 4.47Å; F58-V111 HydrophobicContact CZ-CG2 4.44Å; E61-V111 HydrophobicContact CB-CG2 3.95Å; E61-V111 HydrophobicContact CG-CG2 4.1Å; R107-V111 PolarHBondContact O-N 2.9Å; R107-V111 VanDerWaalsContact O-N 3.15Å; V108-V111 PolarHBondContact O-N 2.98Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 PolarHBondContact O-N 3.38Å; V111-E114 PolarHBondContact O-N 2.65Å; V111-L115 HydrophobicContact CG1-CD1 4.19Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.43Å; V111-I120 HydrophobicContact CB-CD1 4.06Å; V111-I120 HydrophobicContact CG1-CD1 3.63Å
112S96.9Very high96.2Very high13 Ų1359.4 Ų59.49%0.09132%0.324CS..Hα-helixtrans-56.9-43176.5179.20000112.1V108 Q109 L115 G116 G117 E118V108-S112 VanDerWaalsContact O-CB 3.32Å; V108-S112 WeakPolarHBondContact O-CB 3.31Å; V108-S112 PolarHBondContact O-N 3.44Å; Q109-S112 PolarHBondContact O-N 2.9Å; S112-L115 CarbonylContact O-C 3.13Å; S112-L115 PolarHBondContact O-N 3.21Å; S112-G116 PolarHBondContact O-N 2.92Å; S112-G117 WeakPolarHBondContact O-CA 3.44Å; S112-G117 PolarHBondContact O-N 3.47Å; S112-E118 VanDerWaalsContact CB-O 3.29Å; S112-E118 WeakPolarHBondContact CB-O 2.95Å; S112-E118 PolarHBondContact O-N 3.35Å; S112-E118 PolarHBondContact OG-O 2.86Å
113T94.9Very high96.2Very high105 Ų10558.9 Ų58.964%0.64432%0.318SS*.Hα-helixtrans-65.1-43.5178.7-59.40000111.5Q109 A110 V111 L115 G116Q109-T113 WeakPolarHBondContact O-CB 3.43Å; Q109-T113 PolarHBondContact O-N 2.91Å; Q109-T113 PolarHBondContact O-OG1 3.46Å; A110-T113 PolarHBondContact O-N 3Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 PolarHBondContact O-N 3.38Å; T113-L115 PolarHBondContact O-N 2.83Å; T113-G116 PolarHBondContact O-N 3.49Å; T113-G116 VanDerWaalsContact O-N 3.14Å
114E95Very high96.4Very high56 Ų5654.4 Ų54.426%0.26230%0.297SS..Hα-helixtrans-61.5-30.7175178.960.4-144.100111.7R48 M53 L57 A110 V111 G116R48-E114 IonicContact CZ-OE1 3.66Å; R48-E114 IonicContact NH1-OE1 3.16Å; R48-E114 PolarHBondContact NH1-OE1 2.78Å; R48-E114 PolarHBondContact NH2-O 3.26Å; R48-E114 IonicContact NH2-OE1 2.85Å; M53-E114 HydrophobicContact CE-CG 4.46Å; L57-E114 HydrophobicContact CD1-CB 4.1Å; L57-E114 HydrophobicContact CD1-CG 3.69Å; L57-E114 HydrophobicContact CD2-CB 4.47Å; L57-E114 HydrophobicContact CD2-CG 3.68Å; L57-E114 HydrophobicContact CG-CG 4.35Å; A110-E114 PolarHBondContact O-N 2.76Å; V111-E114 PolarHBondContact O-N 2.65Å; E114-G116 VanDerWaalsContact C-N 3.35Å
115L96Very high96.5Very high0 Ų045 Ų450%026%0.261CS..THydrogen-bonded Turntrans-9422.3177.1-60.3-180000113.9L17 M53 L54 L57 V111 S112 T113 G117 E118L17-L115 HydrophobicContact CD1-CB 4.37Å; L17-L115 WeakPolarHBondContact CD1-O 3.29Å; M53-L115 HydrophobicContact CE-CD2 4.37Å; M53-L115 HydrophobicContact CG-CD2 3.85Å; L54-L115 HydrophobicContact CD1-CD1 3.53Å; L57-L115 HydrophobicContact CD1-CD1 4.04Å; L57-L115 HydrophobicContact CD1-CD2 3.51Å; L57-L115 HydrophobicContact CD1-CG 3.62Å; V111-L115 HydrophobicContact CG1-CD1 4.19Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.43Å; S112-L115 CarbonylContact O-C 3.13Å; S112-L115 PolarHBondContact O-N 3.21Å; T113-L115 PolarHBondContact O-N 2.83Å; L115-G117 PolarHBondContact O-N 3.39Å; L115-E118 HydrophobicContact CB-CB 3.9Å
116G92.7Very high96.6Very high59 Ų5947.2 Ų47.261%0.60827%0.271SS*.THydrogen-bonded Turntrans73.127.717300000115S112 T113 E114S112-G116 PolarHBondContact O-N 2.92Å; T113-G116 PolarHBondContact O-N 3.49Å; T113-G116 VanDerWaalsContact O-N 3.14Å; E114-G116 VanDerWaalsContact C-N 3.35Å
117G94.4Very high96.5Very high48 Ų4850 Ų5050%0.49528%0.278SS..SBendtrans85.625.4179.800000114.1S112 L115S112-G117 WeakPolarHBondContact O-CA 3.44Å; S112-G117 PolarHBondContact O-N 3.47Å; L115-G117 PolarHBondContact O-N 3.39Å
118E96.3Very high96.4Very high0 Ų051.4 Ų51.40%029%0.29CS..  trans-62.2132.4174.4-173.3171.6127.200111.2R77 G80 A83 S112 L115 I120R77-E118 WeakPolarHBondContact CD-OE1 3.33Å; R77-E118 WeakPolarHBondContact CG-OE1 3.45Å; R77-E118 IonicContact CZ-OE1 2.63Å; R77-E118 IonicContact CZ-OE2 2.67Å; R77-E118 IonicContact NE-OE1 3.3Å; R77-E118 PolarHBondContact NE-OE1 3.08Å; R77-E118 IonicContact NE-OE2 2.98Å; R77-E118 PolarHBondContact NE-OE2 3.22Å; R77-E118 IonicContact NH2-OE1 3.16Å; R77-E118 IonicContact NH2-OE2 3.2Å; R77-E118 PolarHBondContact NH2-OE2 3.37Å; G80-E118 PolarHBondContact N-OE2 3.44Å; A83-E118 WeakPolarHBondContact CB-OE1 3.46Å; S112-E118 VanDerWaalsContact CB-O 3.29Å; S112-E118 WeakPolarHBondContact CB-O 2.95Å; S112-E118 PolarHBondContact O-N 3.35Å; S112-E118 PolarHBondContact OG-O 2.86Å; L115-E118 HydrophobicContact CB-CB 3.9Å; E118-I120 PolarHBondContact O-N 2.84Å
119R95.9Very high96.3Very high140 Ų14053.4 Ų53.453%0.52830%0.303SS..EExtended strand (participates in β ladder)trans-80.1118.5177.1-67.5-172.9-63.7168.72.6109.9S81 R82 A83S81-R119 PolarHBondContact O-N 2.93Å; R82-R119 CarbonylContact C-O 3.05Å; R82-R119 WeakPolarHBondContact CA-O 3.25Å; R82-R119 HydrophobicContact CB-CB 4.5Å; R82-R119 HydrophobicContact CG-CB 4.16Å; R82-R119 WeakPolarHBondContact CG-O 3.49Å; A83-R119 PolarHBondContact N-O 3.31Å
120I97.5Very high96.2Very high22 Ų2249 Ų4911%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-111.7118.6-175.2-57.7161.6000109.1L54 F58 V108 V111 E118 I122L54-I120 HydrophobicContact CD1-CD1 3.82Å; L54-I120 HydrophobicContact CD1-CG1 4.2Å; F58-I120 HydrophobicContact CE2-CD1 4.27Å; F58-I120 HydrophobicContact CE2-CG2 3.83Å; F58-I120 HydrophobicContact CZ-CG2 3.85Å; V108-I120 HydrophobicContact CG2-CB 3.84Å; V108-I120 HydrophobicContact CG2-CD1 4.38Å; V108-I120 HydrophobicContact CG2-CG2 4.13Å; V111-I120 HydrophobicContact CB-CD1 4.06Å; V111-I120 HydrophobicContact CG1-CD1 3.63Å; E118-I120 PolarHBondContact O-N 2.84Å; I120-I122 HydrophobicContact CG2-CG1 4.32Å
121D97.4Very high96.2Very high36 Ų3650.7 Ų50.719%0.19329%0.287CS..EExtended strand (participates in β ladder)trans-94.3133.3169.4-51.2-54.2000109.2R82 A83 K84 I85R82-D121 IonicContact CZ-OD2 2.68Å; R82-D121 IonicContact NE-OD1 2.77Å; R82-D121 IonicContact NE-OD2 3.26Å; R82-D121 PolarHBondContact NE-OD2 3.14Å; R82-D121 IonicContact NH2-OD1 3.75Å; R82-D121 PolarHBondContact NH2-OD1 3.43Å; R82-D121 IonicContact NH2-OD2 3.66Å; R82-D121 PolarHBondContact NH2-OD2 3.18Å; A83-D121 PolarHBondContact O-N 2.99Å; K84-D121 CarbonylContact C-O 3.59Å; K84-D121 VanDerWaalsContact CA-O 3.28Å; K84-D121 WeakPolarHBondContact CA-O 3.48Å; K84-D121 HydrophobicContact CG-CB 4.16Å; K84-D121 IonicContact NZ-OD2 3.54Å; K84-D121 PolarHBondContact NZ-OD2 2.92Å; I85-D121 PolarHBondContact N-O 3.31Å
122I97.7Very high96.2Very high23 Ų2350.9 Ų50.912%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-113.1119.8177.9-56.6162.3000106.6F58 I85 V87 V97 C100 V101 V108 I120F58-I122 HydrophobicContact CE1-CD1 3.9Å; F58-I122 HydrophobicContact CE1-CG1 4.47Å; F58-I122 HydrophobicContact CZ-CD1 3.95Å; F58-I122 HydrophobicContact CZ-CG1 4.18Å; I85-I122 HydrophobicContact CD1-CG1 4.02Å; I85-I122 HydrophobicContact CD1-CG2 4.29Å; I85-I122 HydrophobicContact CG1-CB 4.22Å; I85-I122 HydrophobicContact CG1-CG1 3.85Å; I85-I122 HydrophobicContact CG1-CG2 4.11Å; V87-I122 HydrophobicContact CG1-CG2 4.34Å; V87-I122 HydrophobicContact CG2-CG2 3.75Å; V97-I122 HydrophobicContact CB-CG2 4.44Å; V97-I122 HydrophobicContact CG1-CB 4.33Å; V97-I122 HydrophobicContact CG1-CG2 4.15Å; V97-I122 HydrophobicContact CG2-CG2 4.33Å; C100-I122 HydrophobicContact CB-CD1 3.75Å; C100-I122 HydrophobicContact CB-CG2 4.04Å; V101-I122 HydrophobicContact CG2-CD1 3.76Å; V108-I122 HydrophobicContact CB-CD1 3.99Å; V108-I122 HydrophobicContact CG2-CD1 3.95Å; I120-I122 HydrophobicContact CG2-CG1 4.32Å
123V97.6Very high96.2Very high6 Ų650.3 Ų50.34%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-119.3151.1-175.3-55.10000110.6I85 A86 V87 F132 N135 A138 L180I85-V123 WeakPolarHBondContact O-CG2 3.35Å; I85-V123 PolarHBondContact O-N 3.34Å; A86-V123 WeakPolarHBondContact CA-O 3.08Å; A86-V123 HydrophobicContact CB-CG2 4.03Å; V87-V123 PolarHBondContact N-O 2.99Å; V123-F132 HydrophobicContact CG2-CE2 4.33Å; V123-N135 HydrophobicContact CB-CB 4.44Å; V123-N135 WeakPolarHBondContact CG1-O 3.42Å; V123-A138 HydrophobicContact CG1-CB 4.31Å; V123-L180 HydrophobicContact CG2-CD2 3.68Å
124L97.5Very high96.3Very high77 Ų7748 Ų4840%0.40327%0.267SS..EExtended strand (participates in β ladder)trans-77.2126.4176.2-175.666.4000109.4P96 V97 N135P96-L124 HydrophobicContact CG-CD1 3.57Å; V97-L124 HydrophobicContact CG2-CB 4.34Å; L124-N135 WeakPolarHBondContact O-CB 3.42Å; L124-N135 PolarHBondContact O-ND2 3.08Å
125W97.8Very high96.4Very high64 Ų6447 Ų4724%0.24226%0.263CS..  trans-72.3136.1168.9179.1-79.4000110.3K73 A74 A86 V87 K88 F132K73-W125 HydrophobicContact CB-CB 4.27Å; K73-W125 HydrophobicContact CB-CD2 3.47Å; K73-W125 VanDerWaalsContact CB-CD2 3.47Å; K73-W125 HydrophobicContact CB-CE3 3.24Å; K73-W125 HydrophobicContact CB-CG 3.92Å; K73-W125 HydrophobicContact CB-CH2 4.47Å; K73-W125 HydrophobicContact CB-CZ3 3.79Å; K73-W125 HydrophobicContact CD-CD2 4.44Å; K73-W125 HydrophobicContact CG-CB 4.02Å; K73-W125 HydrophobicContact CG-CD2 3.65Å; K73-W125 HydrophobicContact CG-CE3 3.99Å; K73-W125 HydrophobicContact CG-CG 3.64Å; A74-W125 HydrophobicContact CB-CZ3 4.1Å; A86-W125 HydrophobicContact CB-CB 4.34Å; A86-W125 HydrophobicContact CB-CE3 3.77Å; V87-W125 PolarHBondContact O-N 2.93Å; K88-W125 HydrophobicContact CB-CB 4Å; K88-W125 HydrophobicContact CB-CG 4.41Å; K88-W125 HydrophobicContact CD-CG 4.47Å; K88-W125 HydrophobicContact CG-CB 4.4Å; W125-F132 HydrophobicContact CD2-CD2 4.42Å; W125-F132 HydrophobicContact CD2-CE1 4.32Å; W125-F132 HydrophobicContact CD2-CE2 4.27Å; W125-F132 HydrophobicContact CD2-CZ 4.22Å; W125-F132 HydrophobicContact CE3-CD1 4.03Å; W125-F132 HydrophobicContact CE3-CD2 4.12Å; W125-F132 AromaticContact CE3-CE1 3.43Å; W125-F132 HydrophobicContact CE3-CE1 3.43Å; W125-F132 VanDerWaalsContact CE3-CE1 3.43Å; W125-F132 AromaticContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CG 4.35Å; W125-F132 AromaticContact CE3-CZ 3.2Å; W125-F132 HydrophobicContact CE3-CZ 3.2Å; W125-F132 HydrophobicContact CH2-CD1 4.18Å; W125-F132 AromaticContact CH2-CE1 3.76Å; W125-F132 HydrophobicContact CH2-CE1 3.76Å; W125-F132 HydrophobicContact CH2-CZ 4.35Å; W125-F132 AromaticContact CZ3-CD1 3.88Å; W125-F132 HydrophobicContact CZ3-CD1 3.88Å; W125-F132 AromaticContact CZ3-CE1 3.11Å; W125-F132 HydrophobicContact CZ3-CE1 3.11Å; W125-F132 HydrophobicContact CZ3-CE2 4.15Å; W125-F132 AromaticContact CZ3-CZ 3.3Å; W125-F132 HydrophobicContact CZ3-CZ 3.3Å
126D96.4Very high96.5Very high55 Ų5547 Ų4729%0.29426%0.263SS..  trans-121.2149.5171.4-155.9-69.9000109.8N128 Q131 F132D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.23Å; D126-N128 PolarHBondContact OD1-N 2.99Å; D126-Q131 HydrophobicContact CB-CB 3.96Å; D126-Q131 HydrophobicContact CB-CG 3.91Å; D126-Q131 WeakPolarHBondContact OD2-CG 3.31Å; D126-F132 HydrophobicContact CB-CB 4.15Å
127D95.2Very high96.7Very high118 Ų11844.2 Ų44.263%0.63123%0.234SC*.SBendtrans-77.6-22.2176.3-65.2-39.2000111.7K88 P129K88-D127 IonicContact NZ-OD1 3.13Å; K88-D127 PolarHBondContact NZ-OD1 3.5Å; K88-D127 IonicContact NZ-OD2 3.65Å; K88-D127 PolarHBondContact NZ-OD2 3.48Å; D127-P129 WeakPolarHBondContact O-CD 3.42Å
128N95.3Very high96.7Very high88 Ų8843.7 Ų43.747%0.47123%0.225SC..SBendtrans-78.8116.9168.6-179.7-22.5000109.4D126 A130 Q131 F132D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.23Å; D126-N128 PolarHBondContact OD1-N 2.99Å; N128-A130 VanDerWaalsContact C-N 3.3Å; N128-A130 PolarHBondContact O-N 3.47Å; N128-A130 WeakPolarHBondContact OD1-CB 3.42Å; N128-A130 PolarHBondContact OD1-N 3.03Å; N128-Q131 HydrophobicContact CB-CB 4.07Å; N128-Q131 PolarHBondContact O-N 2.92Å; N128-Q131 VanDerWaalsContact O-N 3.16Å; N128-F132 PolarHBondContact O-N 3.35Å
129P95.3Very high96.5Very high57 Ų5746.5 Ų46.537%0.3724%0.244SC..Hα-helixtrans-55.1-40.8-178.7-26.735.7000113.8D127 F132 V133 M154 W183D127-P129 WeakPolarHBondContact O-CD 3.42Å; P129-F132 PolarHBondContact O-N 3.26Å; P129-V133 WeakPolarHBondContact O-CG2 3.5Å; P129-V133 PolarHBondContact O-N 2.87Å; P129-M154 HydrophobicContact CB-CE 3.81Å; P129-W183 HydrophobicContact CB-CZ2 4.36Å
130A95.7Very high96.5Very high20 Ų2040 Ų4017%0.16522%0.22CC..Hα-helixtrans-64.7-44.7179.900000111.5N128 F132 V133 I134 I145N128-A130 VanDerWaalsContact C-N 3.3Å; N128-A130 PolarHBondContact O-N 3.47Å; N128-A130 WeakPolarHBondContact OD1-CB 3.42Å; N128-A130 PolarHBondContact OD1-N 3.03Å; A130-F132 VanDerWaalsContact C-N 3.32Å; A130-F132 PolarHBondContact O-N 2.89Å; A130-V133 PolarHBondContact O-N 3.28Å; A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.49Å; A130-I134 PolarHBondContact O-N 2.96Å; A130-I145 HydrophobicContact CB-CD1 4.5Å; A130-I145 HydrophobicContact CB-CG2 3.98Å
131Q96.7Very high96.3Very high75 Ų7544.3 Ų44.335%0.3524%0.243SC..Hα-helixtrans-66.3-37176.4-172.958.562.200111.6D126 N128 I134 N135D126-Q131 HydrophobicContact CB-CB 3.96Å; D126-Q131 HydrophobicContact CB-CG 3.91Å; D126-Q131 WeakPolarHBondContact OD2-CG 3.31Å; N128-Q131 HydrophobicContact CB-CB 4.07Å; N128-Q131 PolarHBondContact O-N 2.92Å; N128-Q131 VanDerWaalsContact O-N 3.16Å; Q131-I134 PolarHBondContact O-N 2.88Å; Q131-N135 PolarHBondContact NE2-OD1 3.16Å; Q131-N135 PolarHBondContact O-N 2.72Å; Q131-N135 PolarHBondContact O-ND2 3.47Å; Q131-N135 PolarHBondContact O-OD1 3.27Å
132F97.6Very high96.3Very high6 Ų644 Ų443%0.02624%0.243CC..Hα-helixtrans-65.2-41.9176178.5-137000112A86 V123 W125 D126 N128 P129 A130 N135 A136 L180A86-F132 HydrophobicContact CB-CE2 3.44Å; A86-F132 VanDerWaalsContact CB-CE2 3.44Å; A86-F132 HydrophobicContact CB-CZ 3.57Å; V123-F132 HydrophobicContact CG2-CE2 4.33Å; W125-F132 HydrophobicContact CD2-CD2 4.42Å; W125-F132 HydrophobicContact CD2-CE1 4.32Å; W125-F132 HydrophobicContact CD2-CE2 4.27Å; W125-F132 HydrophobicContact CD2-CZ 4.22Å; W125-F132 HydrophobicContact CE3-CD1 4.03Å; W125-F132 HydrophobicContact CE3-CD2 4.12Å; W125-F132 AromaticContact CE3-CE1 3.43Å; W125-F132 HydrophobicContact CE3-CE1 3.43Å; W125-F132 VanDerWaalsContact CE3-CE1 3.43Å; W125-F132 AromaticContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CG 4.35Å; W125-F132 AromaticContact CE3-CZ 3.2Å; W125-F132 HydrophobicContact CE3-CZ 3.2Å; W125-F132 HydrophobicContact CH2-CD1 4.18Å; W125-F132 AromaticContact CH2-CE1 3.76Å; W125-F132 HydrophobicContact CH2-CE1 3.76Å; W125-F132 HydrophobicContact CH2-CZ 4.35Å; W125-F132 AromaticContact CZ3-CD1 3.88Å; W125-F132 HydrophobicContact CZ3-CD1 3.88Å; W125-F132 AromaticContact CZ3-CE1 3.11Å; W125-F132 HydrophobicContact CZ3-CE1 3.11Å; W125-F132 HydrophobicContact CZ3-CE2 4.15Å; W125-F132 AromaticContact CZ3-CZ 3.3Å; W125-F132 HydrophobicContact CZ3-CZ 3.3Å; D126-F132 HydrophobicContact CB-CB 4.15Å; N128-F132 PolarHBondContact O-N 3.35Å; P129-F132 PolarHBondContact O-N 3.26Å; A130-F132 VanDerWaalsContact C-N 3.32Å; A130-F132 PolarHBondContact O-N 2.89Å; F132-N135 WeakPolarHBondContact O-CB 3.48Å; F132-N135 PolarHBondContact O-N 3.13Å; F132-A136 WeakPolarHBondContact O-CB 3.49Å; F132-A136 PolarHBondContact O-N 2.91Å; F132-L180 HydrophobicContact CE2-CD2 4.4Å; F132-L180 HydrophobicContact CZ-CD2 4.18Å; F132-L180 HydrophobicContact CZ-CG 4.02Å
133V97.4Very high96.2Very high1 Ų145.7 Ų45.71%0.00626%0.26CS..Hα-helixtrans-64-41.9175.11680000111.5P129 A130 N135 A136 M137 I145 M154 I156 L185P129-V133 WeakPolarHBondContact O-CG2 3.5Å; P129-V133 PolarHBondContact O-N 2.87Å; A130-V133 PolarHBondContact O-N 3.28Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.64Å; V133-A136 PolarHBondContact O-N 3.25Å; V133-A136 VanDerWaalsContact O-N 3.09Å; V133-M137 HydrophobicContact CG1-CG 4.4Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 3.31Å; V133-I145 HydrophobicContact CB-CD1 4.02Å; V133-I145 HydrophobicContact CG1-CD1 3.72Å; V133-M154 HydrophobicContact CB-SD 4.02Å; V133-M154 HydrophobicContact CG1-SD 4.25Å; V133-M154 HydrophobicContact CG2-SD 3.6Å; V133-M154 VanDerWaalsContact CG2-SD 3.6Å; V133-I156 HydrophobicContact CG1-CD1 3.6Å; V133-I156 HydrophobicContact CG1-CG1 4.34Å; V133-L185 HydrophobicContact CG1-CD1 4.18Å; V133-L185 HydrophobicContact CG1-CD2 3.86Å; V133-L185 HydrophobicContact CG2-CD2 4.17Å
134I97.1Very high96Very high58 Ų5847.8 Ų47.830%0.29728%0.275SS..Hα-helixtrans-54.4-47.3172.1-68.8165.9000110.4A130 Q131 A136 M137 V142A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.49Å; A130-I134 PolarHBondContact O-N 2.96Å; Q131-I134 PolarHBondContact O-N 2.88Å; I134-A136 PolarHBondContact O-N 2.63Å; I134-M137 PolarHBondContact O-N 3.13Å; I134-V142 HydrophobicContact CG1-CB 4.19Å; I134-V142 HydrophobicContact CG1-CG1 4.13Å; I134-V142 HydrophobicContact CG2-CB 4.43Å
135N97.2Very high95.9Very high34 Ų3446 Ų4618%0.18227%0.265CS..Hα-helixtrans-64.4-40.1177.6-62.7-14.4000111.8V123 L124 Q131 F132 V133 M137 A138V123-N135 HydrophobicContact CB-CB 4.44Å; V123-N135 WeakPolarHBondContact CG1-O 3.42Å; L124-N135 WeakPolarHBondContact O-CB 3.42Å; L124-N135 PolarHBondContact O-ND2 3.08Å; Q131-N135 PolarHBondContact NE2-OD1 3.16Å; Q131-N135 PolarHBondContact O-N 2.72Å; Q131-N135 PolarHBondContact O-ND2 3.47Å; Q131-N135 PolarHBondContact O-OD1 3.27Å; F132-N135 WeakPolarHBondContact O-CB 3.48Å; F132-N135 PolarHBondContact O-N 3.13Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.64Å; N135-M137 VanDerWaalsContact C-N 3.3Å; N135-M137 PolarHBondContact O-N 3.04Å; N135-A138 WeakPolarHBondContact O-CB 3.45Å; N135-A138 PolarHBondContact O-N 3.37Å
136A97.7Very high95.8Very high0 Ų045.2 Ų45.20%027%0.268CS..Hα-helixtrans-66.1-29.5179.600000113.3K84 F132 V133 I134 A138 A177 L180K84-A136 WeakPolarHBondContact CD-O 3.38Å; K84-A136 WeakPolarHBondContact CE-O 3.35Å; K84-A136 PolarHBondContact NZ-O 2.86Å; F132-A136 WeakPolarHBondContact O-CB 3.49Å; F132-A136 PolarHBondContact O-N 2.91Å; V133-A136 PolarHBondContact O-N 3.25Å; V133-A136 VanDerWaalsContact O-N 3.09Å; I134-A136 PolarHBondContact O-N 2.63Å; A136-A138 PolarHBondContact O-N 3.37Å; A136-A177 HydrophobicContact CB-CB 4.09Å; A136-L180 HydrophobicContact CB-CD2 4.02Å
137M97Very high95.6Very high0 Ų045.4 Ų45.40%027%0.271CS..Hα-helixtrans-71.5-15176.9-72.4-56.3-7100113.9V133 I134 N135 A140 V142 I156 A166 N173 A177 L185 V187V133-M137 HydrophobicContact CG1-CG 4.4Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 3.31Å; I134-M137 PolarHBondContact O-N 3.13Å; N135-M137 VanDerWaalsContact C-N 3.3Å; N135-M137 PolarHBondContact O-N 3.04Å; M137-A140 PolarHBondContact O-N 3.44Å; M137-V142 HydrophobicContact CB-CG2 3.69Å; M137-V142 HydrophobicContact CG-CG2 3.94Å; M137-I156 HydrophobicContact CE-CD1 4.15Å; M137-I156 HydrophobicContact CE-CG2 4.46Å; M137-I156 HydrophobicContact CG-CD1 3.68Å; M137-I156 HydrophobicContact CG-CG2 4.47Å; M137-I156 HydrophobicContact SD-CD1 3.68Å; M137-A166 HydrophobicContact CE-CB 3.87Å; M137-N173 PolarHBondContact O-ND2 2.69Å; M137-A177 HydrophobicContact SD-CB 3.66Å; M137-L185 HydrophobicContact SD-CD1 4.14Å; M137-V187 HydrophobicContact CE-CG2 3.7Å
138A94.8Very high95.4Very high37 Ų3742 Ų4231%0.30625%0.252SS..THydrogen-bonded Turntrans-48.5135.6174.300000110.9K84 V123 N135 A136K84-A138 PolarHBondContact NZ-O 3.11Å; V123-A138 HydrophobicContact CG1-CB 4.31Å; N135-A138 WeakPolarHBondContact O-CB 3.45Å; N135-A138 PolarHBondContact O-N 3.37Å; A136-A138 PolarHBondContact O-N 3.37Å
139P92.3Very high95.1Very high59 Ų5945.2 Ų45.238%0.38326%0.264SS..THydrogen-bonded Turncis-90.512.314.336.3-38.1000115.4Q165P139-Q165 HydrophobicContact CG-CG 4.34Å; P139-Q165 PolarHBondContact O-NE2 3.2Å
140A94.8Very high94.6Very high4 Ų450 Ų503%0.03329%0.287CS..SBendtrans-84.5136.8176.400000110.9M137 Q165 A166M137-A140 PolarHBondContact O-N 3.44Å; A140-Q165 HydrophobicContact CB-CB 4.33Å; A140-Q165 HydrophobicContact CB-CG 4.16Å; A140-A166 VanDerWaalsContact CB-CA 3.47Å; A140-A166 HydrophobicContact CB-CB 3.72Å
141D94.2Very high94.2Very high113 Ų11356.2 Ų56.260%0.60431%0.31SS*.PPolyproline II helixtrans-82.9128.8176.1-52.5-53.2000110.7V158 N162D141-V158 WeakPolarHBondContact O-CG1 3.2Å; D141-N162 WeakPolarHBondContact CB-ND2 3.41Å; D141-N162 PolarHBondContact OD2-ND2 3.49Å
142V96.2Very high94Very high30 Ų3056.7 Ų56.718%0.18231%0.313CS..PPolyproline II helixtrans-92.4130.4177.1177.90000109.6I134 M137 S144 I156I134-V142 HydrophobicContact CG1-CB 4.19Å; I134-V142 HydrophobicContact CG1-CG1 4.13Å; I134-V142 HydrophobicContact CG2-CB 4.43Å; M137-V142 HydrophobicContact CB-CG2 3.69Å; M137-V142 HydrophobicContact CG-CG2 3.94Å; V142-S144 WeakPolarHBondContact CG1-O 3.41Å; V142-I156 HydrophobicContact CB-CG2 4.3Å; V142-I156 HydrophobicContact CG1-CG2 3.69Å; V142-I156 HydrophobicContact CG2-CG2 3.72Å
143A95.9Very high93.9Very high58 Ų5857.1 Ų57.148%0.47932%0.316SS..  trans-87.4-47178.300000111.5A157 V190A143-A157 WeakPolarHBondContact CB-O 3.36Å; A143-A157 PolarHBondContact N-O 2.87Å; A143-V190 HydrophobicContact CB-CG2 3.82Å
144S94.6Very high93.8Very high50 Ų5057.2 Ų57.235%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-152.7161.2174.760.30000111V142 A157V142-S144 WeakPolarHBondContact CG1-O 3.41Å; S144-A157 PolarHBondContact N-O 2.91Å; S144-A157 PolarHBondContact O-N 3.09Å; S144-A157 WeakPolarHBondContact OG-CB 3.41Å
145I95.3Very high93.8Very high38 Ų3854.9 Ų54.920%0.19530%0.304CS..EExtended strand (participates in β ladder)trans-133.8137.3177.1-167.4169.1000109.2A130 V133 M154 D155 I156A130-I145 HydrophobicContact CB-CD1 4.5Å; A130-I145 HydrophobicContact CB-CG2 3.98Å; V133-I145 HydrophobicContact CB-CD1 4.02Å; V133-I145 HydrophobicContact CG1-CD1 3.72Å; I145-M154 HydrophobicContact CD1-CB 4.04Å; I145-M154 HydrophobicContact CD1-CG 4.22Å; I145-M154 HydrophobicContact CD1-SD 3.53Å; I145-M154 VanDerWaalsContact CD1-SD 3.53Å; I145-M154 HydrophobicContact CG1-CB 4.14Å; I145-M154 HydrophobicContact CG1-SD 4.41Å; I145-D155 CarbonylContact C-O 3.59Å; I145-D155 VanDerWaalsContact CA-O 3.31Å; I145-D155 WeakPolarHBondContact CA-O 3.47Å; I145-I156 HydrophobicContact CD1-CG1 4.45Å; I145-I156 HydrophobicContact CG1-CG1 4.46Å
146V94Very high93.8Very high49 Ų4953.2 Ų53.230%0.29730%0.295SS..EExtended strand (participates in β ladder)trans-117.7130.7173.1-178.50000107M154 D155 L193V146-M154 CarbonylContact O-C 3.56Å; V146-M154 WeakPolarHBondContact O-CA 3.15Å; V146-D155 HydrophobicContact CB-CB 4.33Å; V146-D155 PolarHBondContact N-O 3.37Å; V146-D155 PolarHBondContact O-N 3.42Å; V146-L193 HydrophobicContact CG2-CD1 4.11Å; V146-L193 HydrophobicContact CG2-CD2 3.94Å
147V94Very high93.8Very high59 Ų5953.2 Ų53.236%0.35830%0.295SS..EExtended strand (participates in β ladder)trans-110.6124.6-172.7-175.80000108.3E149 M154 W183V147-E149 HydrophobicContact CG1-CG 4.03Å; V147-M154 HydrophobicContact CB-CG 4.49Å; V147-M154 HydrophobicContact CG1-CE 3.85Å; V147-M154 HydrophobicContact CG1-CG 4.24Å; V147-M154 HydrophobicContact CG2-CE 3.92Å; V147-M154 HydrophobicContact CG2-CG 4.16Å; V147-M154 HydrophobicContact CG2-SD 4.35Å; V147-W183 HydrophobicContact CG1-CH2 4.06Å; V147-W183 HydrophobicContact CG1-CZ3 3.95Å
148D91.1Very high93.8Very high45 Ų4553.2 Ų53.224%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-107.798.7169.6-178.6-27.5000106.8D150 K151 H152 T153D148-D150 VanDerWaalsContact C-N 3.34Å; D148-D150 PolarHBondContact OD1-N 3.3Å; D148-K151 PolarHBondContact OD1-N 3Å; D148-K151 VanDerWaalsContact OD2-CD 3.25Å; D148-K151 WeakPolarHBondContact OD2-CD 3.48Å; D148-K151 WeakPolarHBondContact OD2-CE 3.38Å; D148-K151 WeakPolarHBondContact OD2-CG 3.41Å; D148-K151 IonicContact OD2-NZ 3.82Å; D148-K151 PolarHBondContact OD2-NZ 3.33Å; D148-H152 WeakPolarHBondContact O-CA 3.47Å; D148-H152 PolarHBondContact O-N 3.09Å; D148-H152 VanDerWaalsContact O-N 3.08Å; D148-T153 PolarHBondContact N-O 3.33Å; D148-T153 PolarHBondContact O-N 3.18Å
149E88.5Confident93.9Very high156 Ų15657.1 Ų57.173%0.72931%0.307SS*.THydrogen-bonded Turntrans-68.8-33.3-177.1-65.9-169.217400112.1V147 H152V147-E149 HydrophobicContact CG1-CG 4.03Å; E149-H152 PolarHBondContact O-N 3.18Å
150D84.2Confident94Very high158 Ų15857.8 Ų57.885%0.84532%0.318SS*.THydrogen-bonded Turntrans-68.2-43.4-177.3-69.8-28.2000111.3D148 H152D148-D150 VanDerWaalsContact C-N 3.34Å; D148-D150 PolarHBondContact OD1-N 3.3Å; D150-H152 VanDerWaalsContact C-N 3.33Å
151K88.2Confident94Very high150 Ų15061 Ų6165%0.65235%0.351SS*.THydrogen-bonded Turntrans-86.5-6.2176.9-59.3-177.6-164.6141.60113.2D148 T153D148-K151 PolarHBondContact OD1-N 3Å; D148-K151 VanDerWaalsContact OD2-CD 3.25Å; D148-K151 WeakPolarHBondContact OD2-CD 3.48Å; D148-K151 WeakPolarHBondContact OD2-CE 3.38Å; D148-K151 WeakPolarHBondContact OD2-CG 3.41Å; D148-K151 IonicContact OD2-NZ 3.82Å; D148-K151 PolarHBondContact OD2-NZ 3.33Å; K151-T153 HydrophobicContact CB-CG2 3.72Å; K151-T153 WeakPolarHBondContact O-CG2 3.35Å; K151-T153 PolarHBondContact O-N 3.35Å
152H91.4Very high94Very high86 Ų8657.5 Ų57.540%0.39833%0.333SS..THydrogen-bonded Turntrans5442.2-172.7-160.5-87.1000112.3D148 E149 D150 G182 W183 E184D148-H152 WeakPolarHBondContact O-CA 3.47Å; D148-H152 PolarHBondContact O-N 3.09Å; D148-H152 VanDerWaalsContact O-N 3.08Å; E149-H152 PolarHBondContact O-N 3.18Å; D150-H152 VanDerWaalsContact C-N 3.33Å; H152-G182 PolarHBondContact CE1-O 2.94Å; H152-G182 PolarHBondContact ND1-O 3.37Å; H152-W183 HydrophobicContact CB-CE3 4.44Å; H152-W183 HydrophobicContact CB-CZ3 4.37Å; H152-W183 AromaticContact CD2-CH2 3.89Å; H152-W183 AromaticContact CD2-CZ2 3.95Å; H152-W183 AromaticContact CD2-CZ3 3.99Å; H152-W183 AromaticContact CE1-CD1 3.92Å; H152-W183 AromaticContact CE1-CD2 3.56Å; H152-W183 AromaticContact CE1-CE2 3.73Å; H152-W183 AromaticContact CE1-CG 3.7Å; H152-W183 AromaticContact CE1-NE1 3.91Å; H152-W183 AromaticContact CG-CE3 3.92Å; H152-W183 AromaticContact ND1-CD2 3.82Å; H152-W183 AromaticContact ND1-CE3 3.88Å; H152-W183 AromaticContact NE2-CD2 3.82Å; H152-W183 AromaticContact NE2-CE2 3.55Å; H152-W183 AromaticContact NE2-CZ2 3.74Å; H152-W183 AromaticContact NE2-NE1 3.9Å; H152-E184 PolarHBondContact O-N 3.33Å
153T95.2Very high94Very high15 Ų1558.2 Ų58.29%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-119.7154.1179.974.60000111.5D148 K151 E184D148-T153 PolarHBondContact N-O 3.33Å; D148-T153 PolarHBondContact O-N 3.18Å; K151-T153 HydrophobicContact CB-CG2 3.72Å; K151-T153 WeakPolarHBondContact O-CG2 3.35Å; K151-T153 PolarHBondContact O-N 3.35Å; T153-E184 CarbonylContact C-O 3.6Å; T153-E184 VanDerWaalsContact CA-O 3.28Å; T153-E184 WeakPolarHBondContact CA-O 3.48Å; T153-E184 HydrophobicContact CG2-CB 4.03Å; T153-E184 HydrophobicContact CG2-CG 4.29Å
154M96.9Very high93.9Very high2 Ų259.3 Ų59.31%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-132.7126172.8-67.4-178175.200110.8P129 V133 I145 V146 V147 W183 E184 L185 N186P129-M154 HydrophobicContact CB-CE 3.81Å; V133-M154 HydrophobicContact CB-SD 4.02Å; V133-M154 HydrophobicContact CG1-SD 4.25Å; V133-M154 HydrophobicContact CG2-SD 3.6Å; V133-M154 VanDerWaalsContact CG2-SD 3.6Å; I145-M154 HydrophobicContact CD1-CB 4.04Å; I145-M154 HydrophobicContact CD1-CG 4.22Å; I145-M154 HydrophobicContact CD1-SD 3.53Å; I145-M154 VanDerWaalsContact CD1-SD 3.53Å; I145-M154 HydrophobicContact CG1-CB 4.14Å; I145-M154 HydrophobicContact CG1-SD 4.41Å; V146-M154 CarbonylContact O-C 3.56Å; V146-M154 WeakPolarHBondContact O-CA 3.15Å; V147-M154 HydrophobicContact CB-CG 4.49Å; V147-M154 HydrophobicContact CG1-CE 3.85Å; V147-M154 HydrophobicContact CG1-CG 4.24Å; V147-M154 HydrophobicContact CG2-CE 3.92Å; V147-M154 HydrophobicContact CG2-CG 4.16Å; V147-M154 HydrophobicContact CG2-SD 4.35Å; M154-W183 HydrophobicContact CE-CD2 3.5Å; M154-W183 HydrophobicContact CE-CE3 3.77Å; M154-W183 HydrophobicContact CE-CG 3.98Å; M154-W183 HydrophobicContact CE-CH2 4.11Å; M154-W183 HydrophobicContact CE-CZ2 3.86Å; M154-W183 HydrophobicContact CE-CZ3 4.05Å; M154-W183 HydrophobicContact CG-CB 4.47Å; M154-W183 HydrophobicContact CG-CD2 4.13Å; M154-W183 HydrophobicContact CG-CE3 3.75Å; M154-W183 HydrophobicContact CG-CG 4.42Å; M154-W183 HydrophobicContact CG-CZ3 4.36Å; M154-W183 HydrophobicContact SD-CB 4.43Å; M154-W183 HydrophobicContact SD-CD2 4.12Å; M154-W183 HydrophobicContact SD-CE3 4.33Å; M154-W183 HydrophobicContact SD-CG 4.14Å; M154-E184 PolarHBondContact N-O 2.95Å; M154-L185 HydrophobicContact CB-CD2 3.93Å; M154-L185 WeakPolarHBondContact O-CA 3.28Å; M154-N186 PolarHBondContact O-N 2.87Å
155D96.4Very high93.9Very high9 Ų960.9 Ų60.95%0.04835%0.346CS..EExtended strand (participates in β ladder)trans-88.1121.9170.7-60.8-47.2000109.9I145 V146 N186 M188 L193 K196I145-D155 CarbonylContact C-O 3.59Å; I145-D155 VanDerWaalsContact CA-O 3.31Å; I145-D155 WeakPolarHBondContact CA-O 3.47Å; V146-D155 HydrophobicContact CB-CB 4.33Å; V146-D155 PolarHBondContact N-O 3.37Å; V146-D155 PolarHBondContact O-N 3.42Å; D155-N186 CarbonylContact C-O 3.5Å; D155-N186 WeakPolarHBondContact CA-O 3.33Å; D155-N186 WeakPolarHBondContact OD1-CB 3.18Å; D155-N186 PolarHBondContact OD1-ND2 3.25Å; D155-M188 HydrophobicContact CB-CE 3.79Å; D155-M188 WeakPolarHBondContact OD1-CE 3.39Å; D155-L193 HydrophobicContact CB-CD1 3.94Å; D155-K196 IonicContact OD1-NZ 2.99Å; D155-K196 PolarHBondContact OD1-NZ 2.9Å; D155-K196 VanDerWaalsContact OD1-NZ 3.13Å; D155-K196 IonicContact OD2-NZ 3.34Å; D155-K196 PolarHBondContact OD2-NZ 2.99Å
156I97Very high94Very high0 Ų059 Ų590%034%0.337CS..EExtended strand (participates in β ladder)trans-108.8111-176.5-53.5-179.2000108.1V133 M137 V142 I145 V158 L185 N186 V187 M188V133-I156 HydrophobicContact CG1-CD1 3.6Å; V133-I156 HydrophobicContact CG1-CG1 4.34Å; M137-I156 HydrophobicContact CE-CD1 4.15Å; M137-I156 HydrophobicContact CE-CG2 4.46Å; M137-I156 HydrophobicContact CG-CD1 3.68Å; M137-I156 HydrophobicContact CG-CG2 4.47Å; M137-I156 HydrophobicContact SD-CD1 3.68Å; V142-I156 HydrophobicContact CB-CG2 4.3Å; V142-I156 HydrophobicContact CG1-CG2 3.69Å; V142-I156 HydrophobicContact CG2-CG2 3.72Å; I145-I156 HydrophobicContact CD1-CG1 4.45Å; I145-I156 HydrophobicContact CG1-CG1 4.46Å; I156-V158 HydrophobicContact CG2-CG1 4.19Å; I156-L185 HydrophobicContact CD1-CB 3.97Å; I156-L185 HydrophobicContact CD1-CD1 3.95Å; I156-L185 HydrophobicContact CD1-CD2 4.1Å; I156-L185 HydrophobicContact CD1-CG 4.21Å; I156-N186 PolarHBondContact N-O 2.77Å; I156-V187 HydrophobicContact CB-CG2 4.41Å; I156-V187 HydrophobicContact CD1-CG2 4.5Å; I156-M188 PolarHBondContact O-N 2.65Å
157A97.2Very high94Very high0 Ų059.6 Ų59.60%034%0.337CS..EExtended strand (participates in β ladder)trans-89132.2172.100000110.9A143 S144 M188 V190 L193A143-A157 WeakPolarHBondContact CB-O 3.36Å; A143-A157 PolarHBondContact N-O 2.87Å; S144-A157 PolarHBondContact N-O 2.91Å; S144-A157 PolarHBondContact O-N 3.09Å; S144-A157 WeakPolarHBondContact OG-CB 3.41Å; A157-M188 WeakPolarHBondContact CA-O 3.39Å; A157-V190 HydrophobicContact CB-CG2 4.19Å; A157-L193 HydrophobicContact CB-CB 4.05Å; A157-L193 HydrophobicContact CB-CD2 3.59Å; A157-L193 HydrophobicContact CB-CG 4.39Å
158V97.2Very high94Very high0 Ų057.6 Ų57.60%033%0.329CS..EExtended strand (participates in β ladder)trans-129.6156174.5-59.80000110.3D141 I156 N162 L163 A166 V187 M188 T189 V190D141-V158 WeakPolarHBondContact O-CG1 3.2Å; I156-V158 HydrophobicContact CG2-CG1 4.19Å; V158-N162 HydrophobicContact CB-CB 4.34Å; V158-L163 HydrophobicContact CG2-CB 4.05Å; V158-L163 HydrophobicContact CG2-CD1 3.76Å; V158-A166 HydrophobicContact CG1-CB 4.01Å; V158-A166 HydrophobicContact CG2-CB 4.16Å; V158-V187 HydrophobicContact CG2-CG1 4.26Å; V158-M188 PolarHBondContact N-O 3.38Å; V158-T189 VanDerWaalsContact O-CA 3.31Å; V158-T189 WeakPolarHBondContact O-CA 3.37Å; V158-V190 PolarHBondContact O-N 3.37Å
159E97.1Very high94Very high119 Ų11965.2 Ų65.256%0.55635%0.354SS*.  trans-59.7145.3169.1-66.6-63.6164.100110.3G161 N162 L163E159-G161 PolarHBondContact O-N 3.01Å; E159-N162 WeakPolarHBondContact O-CA 3.44Å; E159-N162 PolarHBondContact O-N 2.92Å; E159-L163 PolarHBondContact O-N 3.09Å
160A95.1Very high94.2Very high73 Ų7365 Ų6560%0.60336%0.357SS*.THydrogen-bonded Turntrans-55.1-32.3-176.700000113.1N162 T189A160-N162 VanDerWaalsContact C-N 3.3Å; A160-N162 PolarHBondContact O-N 2.95Å; A160-T189 HydrophobicContact CB-CG2 4.38Å
161G94.9Very high94.6Very high72 Ų7258.2 Ų58.274%0.74233%0.326SS*.THydrogen-bonded Turntrans-67.2-26.6175.200000114.5E159E159-G161 PolarHBondContact O-N 3.01Å
162N94Very high95Very high39 Ų3951.7 Ų51.721%0.20930%0.297CS..THydrogen-bonded Turntrans-95.4-13.8-178.9-75.5-3.7000113D141 V158 E159 A160 A164 Q165 A166D141-N162 WeakPolarHBondContact CB-ND2 3.41Å; D141-N162 PolarHBondContact OD2-ND2 3.49Å; V158-N162 HydrophobicContact CB-CB 4.34Å; E159-N162 WeakPolarHBondContact O-CA 3.44Å; E159-N162 PolarHBondContact O-N 2.92Å; A160-N162 VanDerWaalsContact C-N 3.3Å; A160-N162 PolarHBondContact O-N 2.95Å; N162-A164 VanDerWaalsContact C-N 3.33Å; N162-A164 PolarHBondContact O-N 3.22Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.19Å; N162-A166 PolarHBondContact O-N 3.16Å
163L94.9Very high95.3Very high45 Ų4547.6 Ų47.624%0.23628%0.278CS..Hα-helixtrans-51.5-47.7-177.6-172.970.8000113.2V158 E159 Q165 A166 I167 V187 T189V158-L163 HydrophobicContact CG2-CB 4.05Å; V158-L163 HydrophobicContact CG2-CD1 3.76Å; E159-L163 PolarHBondContact O-N 3.09Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 3.2Å; L163-A166 PolarHBondContact O-N 3.36Å; L163-I167 HydrophobicContact CD1-CD1 4.1Å; L163-I167 HydrophobicContact CD1-CG1 4.49Å; L163-I167 HydrophobicContact CG-CD1 3.92Å; L163-I167 WeakPolarHBondContact O-CG1 3.5Å; L163-I167 PolarHBondContact O-N 3.37Å; L163-V187 HydrophobicContact CD1-CG1 3.91Å; L163-T189 HydrophobicContact CD1-CG2 4.29Å; L163-T189 HydrophobicContact CD2-CG2 3.83Å; L163-T189 HydrophobicContact CG-CG2 4.46Å
164A95.4Very high95.3Very high81 Ų8148.1 Ų48.167%0.66928%0.281SS*.Hα-helixtrans-62.7-34.3-179.900000112.9N162 G168N162-A164 VanDerWaalsContact C-N 3.33Å; N162-A164 PolarHBondContact O-N 3.22Å; A164-G168 WeakPolarHBondContact O-CA 3.48Å; A164-G168 PolarHBondContact O-N 3.35Å
165Q94.7Very high95.3Very high82 Ų8252.8 Ų52.838%0.38330%0.299SS..Hα-helixtrans-75.6-40.4177.3-171.1-179.51700111.4P139 A140 N162 L163 G168P139-Q165 HydrophobicContact CG-CG 4.34Å; P139-Q165 PolarHBondContact O-NE2 3.2Å; A140-Q165 HydrophobicContact CB-CB 4.33Å; A140-Q165 HydrophobicContact CB-CG 4.16Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.19Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 3.2Å; Q165-G168 PolarHBondContact O-N 3.04Å
166A95.7Very high95.4Very high0 Ų052.4 Ų52.40%030%0.297CS..Hα-helixtrans-62.3-44.2178.700000111.9M137 A140 V158 N162 L163 N173 V174 V187M137-A166 HydrophobicContact CE-CB 3.87Å; A140-A166 VanDerWaalsContact CB-CA 3.47Å; A140-A166 HydrophobicContact CB-CB 3.72Å; V158-A166 HydrophobicContact CG1-CB 4.01Å; V158-A166 HydrophobicContact CG2-CB 4.16Å; N162-A166 PolarHBondContact O-N 3.16Å; L163-A166 PolarHBondContact O-N 3.36Å; A166-N173 WeakPolarHBondContact O-CB 3.21Å; A166-N173 PolarHBondContact O-ND2 2.67Å; A166-V174 PolarHBondContact O-N 3.48Å; A166-V187 HydrophobicContact CB-CG1 3.69Å
167I95.1Very high95.4Very high61 Ų6152.4 Ų52.431%0.31330%0.297SS..Hα-helixtrans-70.3-48.1173.2-61.8171.2000109.9L163 G171 Q172 N173 V174 V187L163-I167 HydrophobicContact CD1-CD1 4.1Å; L163-I167 HydrophobicContact CD1-CG1 4.49Å; L163-I167 HydrophobicContact CG-CD1 3.92Å; L163-I167 WeakPolarHBondContact O-CG1 3.5Å; L163-I167 PolarHBondContact O-N 3.37Å; I167-G171 CarbonylContact O-C 3.56Å; I167-G171 VanDerWaalsContact O-CA 3.22Å; I167-G171 WeakPolarHBondContact O-CA 3.13Å; I167-Q172 PolarHBondContact O-N 3.42Å; I167-N173 PolarHBondContact O-N 2.83Å; I167-V174 PolarHBondContact O-N 3.01Å; I167-V187 HydrophobicContact CG1-CB 4.31Å; I167-V187 HydrophobicContact CG1-CG1 4.07Å
168G93.6Very high95.4Very high17 Ų1753.9 Ų53.918%0.17531%0.307CS..  trans73.8175.3-173.600000113.2A164 Q165 N170 G171A164-G168 WeakPolarHBondContact O-CA 3.48Å; A164-G168 PolarHBondContact O-N 3.35Å; Q165-G168 PolarHBondContact O-N 3.04Å; G168-N170 PolarHBondContact O-N 2.89Å; G168-N170 VanDerWaalsContact O-N 3.16Å; G168-G171 PolarHBondContact O-N 2.86Å; G168-G171 VanDerWaalsContact O-N 3.16Å
169R91.9Very high95.4Very high205 Ų20559 Ų5977%0.77433%0.331SS*.G310 helixtrans-60.6120.4-179.6-176.2179.5179.5175.91.2110.1G171 Q172R169-G171 PolarHBondContact O-N 2.78Å; R169-Q172 WeakPolarHBondContact O-CB 3.36Å; R169-Q172 PolarHBondContact O-N 2.97Å
170N92Very high95.4Very high150 Ų15053.6 Ų53.680%0.80231%0.306SS*.G310 helixtrans55.133.9-177.6-53.7-12.3000113.6G168 Q172G168-N170 PolarHBondContact O-N 2.89Å; G168-N170 VanDerWaalsContact O-N 3.16Å; N170-Q172 PolarHBondContact O-N 3.09Å
171G93.8Very high95.5Very high17 Ų1751 Ų5118%0.17528%0.283CS..G310 helixtrans71.714.9-177.500000114.1I167 G168 R169 N173 V174 R175I167-G171 CarbonylContact O-C 3.56Å; I167-G171 VanDerWaalsContact O-CA 3.22Å; I167-G171 WeakPolarHBondContact O-CA 3.13Å; G168-G171 PolarHBondContact O-N 2.86Å; G168-G171 VanDerWaalsContact O-N 3.16Å; R169-G171 PolarHBondContact O-N 2.78Å; G171-N173 VanDerWaalsContact C-N 3.31Å; G171-N173 PolarHBondContact O-N 2.96Å; G171-V174 WeakPolarHBondContact O-CG1 3.29Å; G171-R175 WeakPolarHBondContact O-CB 3.24Å; G171-R175 PolarHBondContact O-N 3.3Å
172Q95.6Very high95.5Very high13 Ų1350 Ų506%0.06127%0.273CS..Hα-helixtrans-58.3-39-176.1172.3171.681.500113.1D78 S81 R82 I167 R169 N170 L176D78-Q172 WeakPolarHBondContact OD2-CG 3.49Å; D78-Q172 PolarHBondContact OD2-NE2 2.83Å; S81-Q172 PolarHBondContact OG-NE2 2.89Å; R82-Q172 VanDerWaalsContact CB-CD 3.46Å; R82-Q172 HydrophobicContact CB-CG 4.22Å; I167-Q172 PolarHBondContact O-N 3.42Å; R169-Q172 WeakPolarHBondContact O-CB 3.36Å; R169-Q172 PolarHBondContact O-N 2.97Å; N170-Q172 PolarHBondContact O-N 3.09Å; Q172-L176 HydrophobicContact CG-CD1 3.86Å; Q172-L176 HydrophobicContact CG-CG 4.44Å; Q172-L176 WeakPolarHBondContact O-CB 3.35Å; Q172-L176 WeakPolarHBondContact O-CG 3.39Å; Q172-L176 PolarHBondContact O-N 3.16Å; Q172-L176 VanDerWaalsContact O-N 3.11Å
173N96.8Very high95.6Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-73.8-47.7-175.3-170.970.5000111.1K84 M137 A166 I167 G171 R175 L176 A177K84-N173 WeakPolarHBondContact CE-OD1 3.16Å; K84-N173 PolarHBondContact NZ-OD1 2.98Å; M137-N173 PolarHBondContact O-ND2 2.69Å; A166-N173 WeakPolarHBondContact O-CB 3.21Å; A166-N173 PolarHBondContact O-ND2 2.67Å; I167-N173 PolarHBondContact O-N 2.83Å; G171-N173 VanDerWaalsContact C-N 3.31Å; G171-N173 PolarHBondContact O-N 2.96Å; N173-R175 PolarHBondContact O-N 2.82Å; N173-L176 PolarHBondContact O-N 2.73Å; N173-A177 WeakPolarHBondContact O-CB 3.44Å; N173-A177 PolarHBondContact O-N 2.76Å
174V96.5Very high95.7Very high25 Ų2553.1 Ų53.115%0.15228%0.284CS..Hα-helixtrans-60.9-42.6176610000111.9A166 I167 G171 L176 A177 S178 L185 V187A166-V174 PolarHBondContact O-N 3.48Å; I167-V174 PolarHBondContact O-N 3.01Å; G171-V174 WeakPolarHBondContact O-CG1 3.29Å; V174-L176 PolarHBondContact O-N 2.82Å; V174-A177 PolarHBondContact O-N 2.89Å; V174-S178 VanDerWaalsContact O-CB 3.28Å; V174-S178 WeakPolarHBondContact O-CB 3.33Å; V174-S178 PolarHBondContact O-N 3.5Å; V174-L185 HydrophobicContact CG2-CB 3.85Å; V174-L185 VanDerWaalsContact CG2-O 3.29Å; V174-L185 WeakPolarHBondContact CG2-O 3.18Å; V174-V187 HydrophobicContact CB-CG2 3.96Å; V174-V187 HydrophobicContact CG2-CG2 3.57Å
175R96.7Very high95.7Very high101 Ų10149.9 Ų49.938%0.38126%0.255SS..Hα-helixtrans-63.7-43.7177.8-179.5165.250.488.414.2112.6D78 G171 N173 S178 Q179D78-R175 VanDerWaalsContact CG-NH2 3.33Å; D78-R175 IonicContact OD1-CZ 2.77Å; D78-R175 VanDerWaalsContact OD1-CZ 3.3Å; D78-R175 IonicContact OD1-NH1 3.99Å; D78-R175 PolarHBondContact OD1-NH1 3.29Å; D78-R175 IonicContact OD1-NH2 2.84Å; D78-R175 PolarHBondContact OD1-NH2 2.79Å; D78-R175 IonicContact OD2-CZ 3.89Å; D78-R175 IonicContact OD2-NH1 2.83Å; D78-R175 IonicContact OD2-NH2 3.17Å; D78-R175 PolarHBondContact OD2-NH2 3.23Å; G171-R175 WeakPolarHBondContact O-CB 3.24Å; G171-R175 PolarHBondContact O-N 3.3Å; N173-R175 PolarHBondContact O-N 2.82Å; R175-S178 PolarHBondContact O-N 3.09Å; R175-Q179 WeakPolarHBondContact O-CB 3.1Å; R175-Q179 VanDerWaalsContact O-CG 3.28Å; R175-Q179 WeakPolarHBondContact O-CG 3.48Å; R175-Q179 PolarHBondContact O-N 3.32Å
176L97.6Very high95.8Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-66.8-39.1176.3-70.4173.1000111.7A76 R82 K84 Q172 N173 V174 L180A76-L176 HydrophobicContact CB-CD2 4.15Å; A76-L176 VanDerWaalsContact CB-O 3.3Å; A76-L176 WeakPolarHBondContact CB-O 3.46Å; R82-L176 HydrophobicContact CB-CD1 3.92Å; R82-L176 HydrophobicContact CG-CD1 3.82Å; K84-L176 HydrophobicContact CD-CB 3.95Å; K84-L176 HydrophobicContact CG-CB 4.01Å; K84-L176 HydrophobicContact CG-CD1 4.4Å; Q172-L176 HydrophobicContact CG-CD1 3.86Å; Q172-L176 HydrophobicContact CG-CG 4.44Å; Q172-L176 WeakPolarHBondContact O-CB 3.35Å; Q172-L176 WeakPolarHBondContact O-CG 3.39Å; Q172-L176 PolarHBondContact O-N 3.16Å; Q172-L176 VanDerWaalsContact O-N 3.11Å; N173-L176 PolarHBondContact O-N 2.73Å; V174-L176 PolarHBondContact O-N 2.82Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 PolarHBondContact O-N 2.82Å
177A97.7Very high95.8Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-66.8-39.7176.200000112A136 M137 N173 V174 L180 S181 L185A136-A177 HydrophobicContact CB-CB 4.09Å; M137-A177 HydrophobicContact SD-CB 3.66Å; N173-A177 WeakPolarHBondContact O-CB 3.44Å; N173-A177 PolarHBondContact O-N 2.76Å; V174-A177 PolarHBondContact O-N 2.89Å; A177-L180 PolarHBondContact O-N 2.75Å; A177-S181 WeakPolarHBondContact O-CB 3.45Å; A177-S181 PolarHBondContact O-N 2.92Å; A177-S181 PolarHBondContact O-OG 3.39Å; A177-L185 HydrophobicContact CB-CD1 3.59Å
178S97.4Very high95.9Very high32 Ų3248.4 Ų48.422%0.22425%0.251CS..Hα-helixtrans-62.7-49.2174.81730000111.4V174 R175 L180 S181 G182 W183V174-S178 VanDerWaalsContact O-CB 3.28Å; V174-S178 WeakPolarHBondContact O-CB 3.33Å; V174-S178 PolarHBondContact O-N 3.5Å; R175-S178 PolarHBondContact O-N 3.09Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.99Å; S178-S181 PolarHBondContact O-N 3.19Å; S178-S181 PolarHBondContact O-OG 2.99Å; S178-G182 WeakPolarHBondContact O-CA 3.25Å; S178-G182 PolarHBondContact O-N 3.39Å; S178-W183 WeakPolarHBondContact CA-O 3.32Å; S178-W183 VanDerWaalsContact CB-O 3.25Å; S178-W183 WeakPolarHBondContact CB-O 3.24Å; S178-W183 PolarHBondContact OG-O 3.37Å
179Q96.7Very high96.1Very high106 Ų10648.4 Ų48.450%0.49525%0.248SC..Hα-helixtrans-62.4-35.2175.1-72.6174.2-6.400113.4A76 R175A76-Q179 HydrophobicContact CB-CB 3.75Å; R175-Q179 WeakPolarHBondContact O-CB 3.1Å; R175-Q179 VanDerWaalsContact O-CG 3.28Å; R175-Q179 WeakPolarHBondContact O-CG 3.48Å; R175-Q179 PolarHBondContact O-N 3.32Å
180L97.4Very high96.3Very high6 Ų640.3 Ų40.33%0.03122%0.221CC..Hα-helixtrans-73.5-38.6-179.1-168.475.2000112.2A74 A76 K84 A86 V123 F132 A136 L176 A177 S178A74-L180 HydrophobicContact CB-CD1 3.58Å; A74-L180 HydrophobicContact CB-CG 4.09Å; A74-L180 WeakPolarHBondContact CB-O 3.48Å; A76-L180 HydrophobicContact CB-CB 3.91Å; A76-L180 HydrophobicContact CB-CD1 4.09Å; K84-L180 HydrophobicContact CB-CD1 4.38Å; K84-L180 HydrophobicContact CB-CD2 3.85Å; K84-L180 HydrophobicContact CD-CD2 4.45Å; A86-L180 HydrophobicContact CB-CD1 4.28Å; A86-L180 HydrophobicContact CB-CD2 4.16Å; A86-L180 HydrophobicContact CB-CG 4.29Å; V123-L180 HydrophobicContact CG2-CD2 3.68Å; F132-L180 HydrophobicContact CE2-CD2 4.4Å; F132-L180 HydrophobicContact CZ-CD2 4.18Å; F132-L180 HydrophobicContact CZ-CG 4.02Å; A136-L180 HydrophobicContact CB-CD2 4.02Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 PolarHBondContact O-N 2.82Å; A177-L180 PolarHBondContact O-N 2.75Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.99Å
181S96.6Very high96.4Very high18 Ų1838.7 Ų38.713%0.12621%0.213CC..Hα-helixtrans-85.7-25.5-179.161.50000113.4A177 S178 W183A177-S181 WeakPolarHBondContact O-CB 3.45Å; A177-S181 PolarHBondContact O-N 2.92Å; A177-S181 PolarHBondContact O-OG 3.39Å; S178-S181 PolarHBondContact O-N 3.19Å; S178-S181 PolarHBondContact O-OG 2.99Å; S181-W183 PolarHBondContact O-N 3.41Å; S181-W183 PolarHBondContact OG-N 2.93Å
182G95.7Very high96.5Very high52 Ų5241.9 Ų41.954%0.53623%0.226SC..SBendtrans81.6-6.7-17000000113.8H152 S178H152-G182 PolarHBondContact CE1-O 2.94Å; H152-G182 PolarHBondContact ND1-O 3.37Å; S178-G182 WeakPolarHBondContact O-CA 3.25Å; S178-G182 PolarHBondContact O-N 3.39Å
183W96.8Very high96.5Very high33 Ų3341.8 Ų41.813%0.12523%0.225CC..SBendtrans-90.4146179.8-6980.2000111.1P129 V147 H152 M154 S178 S181 L185P129-W183 HydrophobicContact CB-CZ2 4.36Å; V147-W183 HydrophobicContact CG1-CH2 4.06Å; V147-W183 HydrophobicContact CG1-CZ3 3.95Å; H152-W183 HydrophobicContact CB-CE3 4.44Å; H152-W183 HydrophobicContact CB-CZ3 4.37Å; H152-W183 AromaticContact CD2-CH2 3.89Å; H152-W183 AromaticContact CD2-CZ2 3.95Å; H152-W183 AromaticContact CD2-CZ3 3.99Å; H152-W183 AromaticContact CE1-CD1 3.92Å; H152-W183 AromaticContact CE1-CD2 3.56Å; H152-W183 AromaticContact CE1-CE2 3.73Å; H152-W183 AromaticContact CE1-CG 3.7Å; H152-W183 AromaticContact CE1-NE1 3.91Å; H152-W183 AromaticContact CG-CE3 3.92Å; H152-W183 AromaticContact ND1-CD2 3.82Å; H152-W183 AromaticContact ND1-CE3 3.88Å; H152-W183 AromaticContact NE2-CD2 3.82Å; H152-W183 AromaticContact NE2-CE2 3.55Å; H152-W183 AromaticContact NE2-CZ2 3.74Å; H152-W183 AromaticContact NE2-NE1 3.9Å; M154-W183 HydrophobicContact CE-CD2 3.5Å; M154-W183 HydrophobicContact CE-CE3 3.77Å; M154-W183 HydrophobicContact CE-CG 3.98Å; M154-W183 HydrophobicContact CE-CH2 4.11Å; M154-W183 HydrophobicContact CE-CZ2 3.86Å; M154-W183 HydrophobicContact CE-CZ3 4.05Å; M154-W183 HydrophobicContact CG-CB 4.47Å; M154-W183 HydrophobicContact CG-CD2 4.13Å; M154-W183 HydrophobicContact CG-CE3 3.75Å; M154-W183 HydrophobicContact CG-CG 4.42Å; M154-W183 HydrophobicContact CG-CZ3 4.36Å; M154-W183 HydrophobicContact SD-CB 4.43Å; M154-W183 HydrophobicContact SD-CD2 4.12Å; M154-W183 HydrophobicContact SD-CE3 4.33Å; M154-W183 HydrophobicContact SD-CG 4.14Å; S178-W183 WeakPolarHBondContact CA-O 3.32Å; S178-W183 VanDerWaalsContact CB-O 3.25Å; S178-W183 WeakPolarHBondContact CB-O 3.24Å; S178-W183 PolarHBondContact OG-O 3.37Å; S181-W183 PolarHBondContact O-N 3.41Å; S181-W183 PolarHBondContact OG-N 2.93Å; W183-L185 HydrophobicContact CB-CD2 3.78Å
184E95.6Very high96.3Very high117 Ų11747 Ų4755%0.54725%0.25SC..EExtended strand (participates in β ladder)trans-77.3125166.3175.9165.8-159.900109H152 T153 M154H152-E184 PolarHBondContact O-N 3.33Å; T153-E184 CarbonylContact C-O 3.6Å; T153-E184 VanDerWaalsContact CA-O 3.28Å; T153-E184 WeakPolarHBondContact CA-O 3.48Å; T153-E184 HydrophobicContact CG2-CB 4.03Å; T153-E184 HydrophobicContact CG2-CG 4.29Å; M154-E184 PolarHBondContact N-O 2.95Å
185L96.9Very high96.3Very high12 Ų1248.3 Ų48.36%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-113.4118.6-170.1-55.8-175.8000111V133 M137 M154 I156 V174 A177 W183V133-L185 HydrophobicContact CG1-CD1 4.18Å; V133-L185 HydrophobicContact CG1-CD2 3.86Å; V133-L185 HydrophobicContact CG2-CD2 4.17Å; M137-L185 HydrophobicContact SD-CD1 4.14Å; M154-L185 HydrophobicContact CB-CD2 3.93Å; M154-L185 WeakPolarHBondContact O-CA 3.28Å; I156-L185 HydrophobicContact CD1-CB 3.97Å; I156-L185 HydrophobicContact CD1-CD1 3.95Å; I156-L185 HydrophobicContact CD1-CD2 4.1Å; I156-L185 HydrophobicContact CD1-CG 4.21Å; V174-L185 HydrophobicContact CG2-CB 3.85Å; V174-L185 VanDerWaalsContact CG2-O 3.29Å; V174-L185 WeakPolarHBondContact CG2-O 3.18Å; A177-L185 HydrophobicContact CB-CD1 3.59Å; W183-L185 HydrophobicContact CB-CD2 3.78Å
186N95.9Very high96.1Very high54 Ų5446.6 Ų46.629%0.28926%0.259SS..EExtended strand (participates in β ladder)trans-101.8109.5176.9-60.2-41.2000109.4M154 D155 I156 M188M154-N186 PolarHBondContact O-N 2.87Å; D155-N186 CarbonylContact C-O 3.5Å; D155-N186 WeakPolarHBondContact CA-O 3.33Å; D155-N186 WeakPolarHBondContact OD1-CB 3.18Å; D155-N186 PolarHBondContact OD1-ND2 3.25Å; I156-N186 PolarHBondContact N-O 2.77Å; N186-M188 HydrophobicContact CB-CE 3.98Å
187V96.1Very high95.8Very high30 Ų3050.3 Ų50.318%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-95.6123.6-177.9-179.40000110M137 I156 V158 L163 A166 I167 V174M137-V187 HydrophobicContact CE-CG2 3.7Å; I156-V187 HydrophobicContact CB-CG2 4.41Å; I156-V187 HydrophobicContact CD1-CG2 4.5Å; V158-V187 HydrophobicContact CG2-CG1 4.26Å; L163-V187 HydrophobicContact CD1-CG1 3.91Å; A166-V187 HydrophobicContact CB-CG1 3.69Å; I167-V187 HydrophobicContact CG1-CB 4.31Å; I167-V187 HydrophobicContact CG1-CG1 4.07Å; V174-V187 HydrophobicContact CB-CG2 3.96Å; V174-V187 HydrophobicContact CG2-CG2 3.57Å
188M96.4Very high95.5Very high28 Ų2857 Ų5714%0.13831%0.307CS..EExtended strand (participates in β ladder)trans-142.9171.3-179.266.5-168.372.600111.7D155 I156 A157 V158 N186 D192 L193 K196D155-M188 HydrophobicContact CB-CE 3.79Å; D155-M188 WeakPolarHBondContact OD1-CE 3.39Å; I156-M188 PolarHBondContact O-N 2.65Å; A157-M188 WeakPolarHBondContact CA-O 3.39Å; V158-M188 PolarHBondContact N-O 3.38Å; N186-M188 HydrophobicContact CB-CE 3.98Å; M188-D192 HydrophobicContact CB-CB 3.94Å; M188-D192 HydrophobicContact CG-CB 4.32Å; M188-L193 HydrophobicContact CG-CB 4.16Å; M188-L193 HydrophobicContact SD-CB 3.96Å; M188-L193 HydrophobicContact SD-CD1 3.72Å; M188-L193 HydrophobicContact SD-CG 4.49Å; M188-K196 HydrophobicContact CE-CD 4.24Å; M188-K196 HydrophobicContact SD-CD 4.26Å
189T97.4Very high95.3Very high18 Ų1858.4 Ų58.411%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-77.9162.3173.968.50000111.4V158 A160 L163 D191 D192 L193V158-T189 VanDerWaalsContact O-CA 3.31Å; V158-T189 WeakPolarHBondContact O-CA 3.37Å; A160-T189 HydrophobicContact CB-CG2 4.38Å; L163-T189 HydrophobicContact CD1-CG2 4.29Å; L163-T189 HydrophobicContact CD2-CG2 3.83Å; L163-T189 HydrophobicContact CG-CG2 4.46Å; T189-D191 PolarHBondContact O-N 3.03Å; T189-D192 WeakPolarHBondContact CB-OD2 3.43Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.16Å; T189-D192 PolarHBondContact N-OD2 3.26Å; T189-D192 PolarHBondContact O-N 2.73Å; T189-D192 WeakPolarHBondContact OG1-CB 3.36Å; T189-D192 PolarHBondContact OG1-N 2.76Å; T189-D192 VanDerWaalsContact OG1-N 3.09Å; T189-D192 PolarHBondContact OG1-OD2 2.98Å; T189-L193 PolarHBondContact O-N 3.08Å
190V96Very high95.1Very high34 Ų3457.9 Ų57.921%0.20632%0.318CS..Hα-helixtrans-56.6-40.51721780000111.3A143 A157 V158 L193 Q194A143-V190 HydrophobicContact CB-CG2 3.82Å; A157-V190 HydrophobicContact CB-CG2 4.19Å; V158-V190 PolarHBondContact O-N 3.37Å; V190-L193 PolarHBondContact O-N 3.36Å; V190-Q194 WeakPolarHBondContact O-CG 3.29Å; V190-Q194 PolarHBondContact O-N 3.45Å; V190-Q194 VanDerWaalsContact O-N 3.08Å
191D95.9Very high94.8Very high117 Ų11759.1 Ų59.163%0.62633%0.329SS*.Hα-helixtrans-65.6-41.8177.8-64.1-16.6000111.3T189 Q194 A195T189-D191 PolarHBondContact O-N 3.03Å; D191-Q194 PolarHBondContact O-N 3.03Å; D191-A195 WeakPolarHBondContact O-CB 3.42Å; D191-A195 PolarHBondContact O-N 3.16Å
192D95.9Very high94.7Very high84 Ų8463.7 Ų63.745%0.44935%0.348SS..Hα-helixtrans-65.2-39176.8-63.9-40.5000111.7M188 T189 A195 K196M188-D192 HydrophobicContact CB-CB 3.94Å; M188-D192 HydrophobicContact CG-CB 4.32Å; T189-D192 WeakPolarHBondContact CB-OD2 3.43Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.16Å; T189-D192 PolarHBondContact N-OD2 3.26Å; T189-D192 PolarHBondContact O-N 2.73Å; T189-D192 WeakPolarHBondContact OG1-CB 3.36Å; T189-D192 PolarHBondContact OG1-N 2.76Å; T189-D192 VanDerWaalsContact OG1-N 3.09Å; T189-D192 PolarHBondContact OG1-OD2 2.98Å; D192-A195 PolarHBondContact O-N 3.04Å; D192-K196 WeakPolarHBondContact O-CB 3.28Å; D192-K196 PolarHBondContact O-N 3.17Å
193L94.6Very high94.6Very high10 Ų1063.8 Ų63.85%0.05234%0.344CS..Hα-helixtrans-63.5-43.2176.4-17570.4000110.9V146 D155 A157 M188 T189 V190 K196 H197V146-L193 HydrophobicContact CG2-CD1 4.11Å; V146-L193 HydrophobicContact CG2-CD2 3.94Å; D155-L193 HydrophobicContact CB-CD1 3.94Å; A157-L193 HydrophobicContact CB-CB 4.05Å; A157-L193 HydrophobicContact CB-CD2 3.59Å; A157-L193 HydrophobicContact CB-CG 4.39Å; M188-L193 HydrophobicContact CG-CB 4.16Å; M188-L193 HydrophobicContact SD-CB 3.96Å; M188-L193 HydrophobicContact SD-CD1 3.72Å; M188-L193 HydrophobicContact SD-CG 4.49Å; T189-L193 PolarHBondContact O-N 3.08Å; V190-L193 PolarHBondContact O-N 3.36Å; L193-K196 PolarHBondContact O-N 3.47Å; L193-H197 PolarHBondContact O-CD2 2.81Å; L193-H197 PolarHBondContact O-N 3.44Å
194Q93.6Very high94.4Very high110 Ų11062.5 Ų62.551%0.51434%0.34SS..Hα-helixtrans-62.6-42.7175.2-71.9177.81.500111.8V190 D191 K196 H197 Q198V190-Q194 WeakPolarHBondContact O-CG 3.29Å; V190-Q194 PolarHBondContact O-N 3.45Å; V190-Q194 VanDerWaalsContact O-N 3.08Å; D191-Q194 PolarHBondContact O-N 3.03Å; Q194-K196 VanDerWaalsContact C-N 3.35Å; Q194-H197 PolarHBondContact O-N 3.18Å; Q194-Q198 VanDerWaalsContact O-CG 3.31Å; Q194-Q198 WeakPolarHBondContact O-CG 3.47Å; Q194-Q198 PolarHBondContact O-N 3.48Å
195A95.1Very high94.3Very high53 Ų5358 Ų5844%0.43832%0.32SS..Hα-helixtrans-63.6-40.4176.100000112D191 D192 Q198 A199D191-A195 WeakPolarHBondContact O-CB 3.42Å; D191-A195 PolarHBondContact O-N 3.16Å; D192-A195 PolarHBondContact O-N 3.04Å; A195-Q198 PolarHBondContact O-N 3.13Å; A195-A199 WeakPolarHBondContact O-CB 3.24Å; A195-A199 PolarHBondContact O-N 3.03Å
196K92.8Very high94.2Very high64 Ų6461.3 Ų61.328%0.27834%0.337SS..Hα-helixtrans-60.7-50.3174.7-176.9-179.3173.3-174.60111.1D155 M188 D192 L193 Q194 Q198 A199 E200D155-K196 IonicContact OD1-NZ 2.99Å; D155-K196 PolarHBondContact OD1-NZ 2.9Å; D155-K196 VanDerWaalsContact OD1-NZ 3.13Å; D155-K196 IonicContact OD2-NZ 3.34Å; D155-K196 PolarHBondContact OD2-NZ 2.99Å; M188-K196 HydrophobicContact CE-CD 4.24Å; M188-K196 HydrophobicContact SD-CD 4.26Å; D192-K196 WeakPolarHBondContact O-CB 3.28Å; D192-K196 PolarHBondContact O-N 3.17Å; L193-K196 PolarHBondContact O-N 3.47Å; Q194-K196 VanDerWaalsContact C-N 3.35Å; K196-Q198 VanDerWaalsContact C-N 3.32Å; K196-Q198 PolarHBondContact O-N 3.44Å; K196-A199 PolarHBondContact O-N 3.16Å; K196-A199 VanDerWaalsContact O-N 3.14Å; K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 IonicContact NZ-OE1 3.78Å; K196-E200 WeakPolarHBondContact O-CG 3.22Å; K196-E200 PolarHBondContact O-N 3.35Å
197H90.6Very high94Very high79 Ų7961.1 Ų61.137%0.36634%0.338SS..Hα-helixtrans-60.1-40.6177.6-73.5-167.2000112.5L193 Q194 A199 E200 A201L193-H197 PolarHBondContact O-CD2 2.81Å; L193-H197 PolarHBondContact O-N 3.44Å; Q194-H197 PolarHBondContact O-N 3.18Å; H197-A199 VanDerWaalsContact C-N 3.35Å; H197-E200 PolarHBondContact O-N 3.25Å; H197-A201 VanDerWaalsContact O-CB 3.29Å; H197-A201 WeakPolarHBondContact O-CB 3.4Å; H197-A201 PolarHBondContact O-N 2.93Å
198Q92.7Very high93.9Very high140 Ų14059.7 Ų59.765%0.65433%0.33SS*.Hα-helixtrans-64.3-40176.1-74.8175.34.500112.1Q194 A195 K196 H202Q194-Q198 VanDerWaalsContact O-CG 3.31Å; Q194-Q198 WeakPolarHBondContact O-CG 3.47Å; Q194-Q198 PolarHBondContact O-N 3.48Å; A195-Q198 PolarHBondContact O-N 3.13Å; K196-Q198 VanDerWaalsContact C-N 3.32Å; K196-Q198 PolarHBondContact O-N 3.44Å; Q198-H202 WeakPolarHBondContact O-CB 3.41Å; Q198-H202 PolarHBondContact O-N 2.9Å
199A93.5Very high93.8Very high62 Ų6260.4 Ų60.451%0.51234%0.336SS..Hα-helixtrans-66.9-41.917700000112A195 K196 H197 H202 A203A195-A199 WeakPolarHBondContact O-CB 3.24Å; A195-A199 PolarHBondContact O-N 3.03Å; K196-A199 PolarHBondContact O-N 3.16Å; K196-A199 VanDerWaalsContact O-N 3.14Å; H197-A199 VanDerWaalsContact C-N 3.35Å; A199-H202 PolarHBondContact O-N 3.19Å; A199-A203 WeakPolarHBondContact O-CB 3.17Å; A199-A203 PolarHBondContact O-N 2.97Å
200E91.3Very high93.5Very high95 Ų9566.7 Ų66.744%0.44436%0.362SS..Hα-helixtrans-65-45176.2-72.9172.2166.500111.6K196 H197 H202 A203 A204K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 IonicContact NZ-OE1 3.78Å; K196-E200 WeakPolarHBondContact O-CG 3.22Å; K196-E200 PolarHBondContact O-N 3.35Å; H197-E200 PolarHBondContact O-N 3.25Å; E200-H202 PolarHBondContact O-N 2.94Å; E200-A203 PolarHBondContact O-N 3.44Å; E200-A204 WeakPolarHBondContact O-CB 3.25Å; E200-A204 PolarHBondContact O-N 3.26Å
201A92.1Very high93.3Very high31 Ų3168.8 Ų68.826%0.25637%0.366SS..Hα-helixtrans-59.7-44.9175.500000111.7H197 A203 A204 I205 V223H197-A201 VanDerWaalsContact O-CB 3.29Å; H197-A201 WeakPolarHBondContact O-CB 3.4Å; H197-A201 PolarHBondContact O-N 2.93Å; A201-A203 PolarHBondContact O-N 3.42Å; A201-A204 PolarHBondContact O-N 3.37Å; A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 2.95Å; A201-V223 HydrophobicContact CB-CG1 3.82Å
202H94Very high93.1Very high115 Ų11563.2 Ų63.253%0.53234%0.337SS..Hα-helixtrans-63.8-42.4177.6-169.453.1000112Q198 A199 E200 A204 I205 D206Q198-H202 WeakPolarHBondContact O-CB 3.41Å; Q198-H202 PolarHBondContact O-N 2.9Å; A199-H202 PolarHBondContact O-N 3.19Å; E200-H202 PolarHBondContact O-N 2.94Å; H202-A204 VanDerWaalsContact C-N 3.34Å; H202-A204 PolarHBondContact O-N 3.42Å; H202-I205 PolarHBondContact O-N 2.87Å; H202-D206 IonicContact CE1-OD1 3.87Å; H202-D206 IonicContact NE2-OD2 3.54Å; H202-D206 PolarHBondContact O-N 2.99Å
203A93.4Very high92.7Very high53 Ų5365.7 Ų65.744%0.43835%0.35SS..Hα-helixtrans-64.1-37.5176.500000112.8A199 E200 A201 T207A199-A203 WeakPolarHBondContact O-CB 3.17Å; A199-A203 PolarHBondContact O-N 2.97Å; E200-A203 PolarHBondContact O-N 3.44Å; A201-A203 PolarHBondContact O-N 3.42Å; A203-T207 WeakPolarHBondContact O-CB 3.48Å; A203-T207 PolarHBondContact O-N 3.14Å; A203-T207 PolarHBondContact O-OG1 2.93Å
204A93Very high92.4Very high6 Ų666.4 Ų66.45%0.0535%0.353CS..Hα-helixtrans-66.2-46.1174.500000111.2E200 A201 H202 D206 T207 F208 V223E200-A204 WeakPolarHBondContact O-CB 3.25Å; E200-A204 PolarHBondContact O-N 3.26Å; A201-A204 PolarHBondContact O-N 3.37Å; H202-A204 VanDerWaalsContact C-N 3.34Å; H202-A204 PolarHBondContact O-N 3.42Å; A204-D206 PolarHBondContact O-N 3.21Å; A204-T207 WeakPolarHBondContact O-CB 3.41Å; A204-T207 PolarHBondContact O-N 3.26Å; A204-T207 VanDerWaalsContact O-N 3.15Å; A204-F208 VanDerWaalsContact O-CG 3.3Å; A204-F208 WeakPolarHBondContact O-CG 3.41Å; A204-F208 PolarHBondContact O-N 3.14Å; A204-V223 HydrophobicContact CB-CG2 3.72Å
205I93.6Very high92.3Very high24 Ų2466 Ų6612%0.12336%0.355CS..Hα-helixtrans-58-47.4175.7-69.1164.6000110.9A201 H202 T207 F208 T209 A219 T220 V223A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 2.95Å; H202-I205 PolarHBondContact O-N 2.87Å; I205-T207 VanDerWaalsContact C-N 3.29Å; I205-T207 PolarHBondContact O-N 3.3Å; I205-F208 PolarHBondContact O-N 3.5Å; I205-T209 VanDerWaalsContact O-CB 3.31Å; I205-T209 WeakPolarHBondContact O-CB 3.46Å; I205-T209 PolarHBondContact O-N 2.81Å; I205-T209 PolarHBondContact O-OG1 3.34Å; I205-A219 HydrophobicContact CG2-CB 4.07Å; I205-T220 HydrophobicContact CD1-CG2 4.42Å; I205-V223 HydrophobicContact CG1-CG2 3.95Å
206D93.8Very high92.2Very high80 Ų8069.7 Ų69.743%0.42836%0.363SS..Hα-helixtrans-60.8-40.8177.8-79.5-7.4000111.3H202 A204 K210H202-D206 IonicContact CE1-OD1 3.87Å; H202-D206 IonicContact NE2-OD2 3.54Å; H202-D206 PolarHBondContact O-N 2.99Å; A204-D206 PolarHBondContact O-N 3.21Å; D206-K210 WeakPolarHBondContact O-CB 3.49Å; D206-K210 PolarHBondContact O-N 2.91Å
207T92.5Very high92.1Very high50 Ų5072.9 Ų72.931%0.30738%0.383SS..Hα-helixtrans-64.9-48.3177.7-61.30000110.8A203 A204 I205 K210 Y211 L230A203-T207 WeakPolarHBondContact O-CB 3.48Å; A203-T207 PolarHBondContact O-N 3.14Å; A203-T207 PolarHBondContact O-OG1 2.93Å; A204-T207 WeakPolarHBondContact O-CB 3.41Å; A204-T207 PolarHBondContact O-N 3.26Å; A204-T207 VanDerWaalsContact O-N 3.15Å; I205-T207 VanDerWaalsContact C-N 3.29Å; I205-T207 PolarHBondContact O-N 3.3Å; T207-K210 PolarHBondContact O-N 2.81Å; T207-Y211 HydrophobicContact CG2-CD2 3.82Å; T207-Y211 HydrophobicContact CG2-CE2 4.33Å; T207-Y211 WeakPolarHBondContact O-CB 3.45Å; T207-Y211 VanDerWaalsContact O-CD2 3.31Å; T207-Y211 WeakPolarHBondContact O-CD2 3.47Å; T207-Y211 PolarHBondContact O-N 2.89Å; T207-L230 HydrophobicContact CG2-CD1 3.98Å; T207-L230 HydrophobicContact CG2-CD2 4.37Å; T207-L230 HydrophobicContact CG2-CG 3.95Å
208F94.1Very high92.1Very high0 Ų071.8 Ų71.80%038%0.377CS..Hα-helixtrans-64.2-45.3178.8-66-17.8000112.1A204 I205 K210 Y211 L212 L214 A219 L222 V223 F227 L230 L233A204-F208 VanDerWaalsContact O-CG 3.3Å; A204-F208 WeakPolarHBondContact O-CG 3.41Å; A204-F208 PolarHBondContact O-N 3.14Å; I205-F208 PolarHBondContact O-N 3.5Å; F208-K210 VanDerWaalsContact C-N 3.31Å; F208-K210 PolarHBondContact O-N 3.39Å; F208-Y211 PolarHBondContact O-N 3.34Å; F208-L212 HydrophobicContact CB-CD1 4.08Å; F208-L212 HydrophobicContact CD1-CD1 3.71Å; F208-L212 HydrophobicContact CE1-CD1 4.45Å; F208-L212 HydrophobicContact CG-CD1 4.05Å; F208-L212 WeakPolarHBondContact O-CA 3.38Å; F208-L212 WeakPolarHBondContact O-CB 3.44Å; F208-L212 PolarHBondContact O-N 2.94Å; F208-L214 HydrophobicContact CB-CD1 4.38Å; F208-A219 HydrophobicContact CB-CB 3.99Å; F208-L222 HydrophobicContact CD2-CB 4.31Å; F208-L222 HydrophobicContact CD2-CD1 4.44Å; F208-L222 HydrophobicContact CE2-CB 4.19Å; F208-V223 HydrophobicContact CD2-CG2 4.05Å; F208-V223 HydrophobicContact CE2-CG2 3.78Å; F208-F227 HydrophobicContact CE2-CB 4.38Å; F208-F227 WeakPolarHBondContact CE2-O 3.42Å; F208-F227 HydrophobicContact CZ-CB 4.3Å; F208-L230 HydrophobicContact CD1-CD2 3.94Å; F208-L230 HydrophobicContact CE1-CD2 4.19Å; F208-L233 HydrophobicContact CD1-CD1 3.83Å; F208-L233 HydrophobicContact CD2-CD1 4.47Å; F208-L233 HydrophobicContact CE1-CD1 3.42Å; F208-L233 VanDerWaalsContact CE1-CD1 3.42Å; F208-L233 HydrophobicContact CE1-CG 4.34Å; F208-L233 HydrophobicContact CE2-CD1 4.12Å; F208-L233 HydrophobicContact CG-CD1 4.35Å; F208-L233 HydrophobicContact CZ-CD1 3.59Å; F208-L233 HydrophobicContact CZ-CG 4.25Å
209T93.5Very high92.1Very high43 Ų4365.1 Ų65.126%0.26435%0.346SS..Hα-helixtrans-58.5-45176.3-55.20000110.9I205I205-T209 VanDerWaalsContact O-CB 3.31Å; I205-T209 WeakPolarHBondContact O-CB 3.46Å; I205-T209 PolarHBondContact O-N 2.81Å; I205-T209 PolarHBondContact O-OG1 3.34Å
210K92.1Very high92Very high151 Ų15164.4 Ų64.466%0.65734%0.335SS*.Hα-helixtrans-70-43.3-178.1-178.4-177.5175.8-163.40113.8D206 T207 F208D206-K210 WeakPolarHBondContact O-CB 3.49Å; D206-K210 PolarHBondContact O-N 2.91Å; T207-K210 PolarHBondContact O-N 2.81Å; F208-K210 VanDerWaalsContact C-N 3.31Å; F208-K210 PolarHBondContact O-N 3.39Å
211Y91.7Very high92Very high78 Ų7862.5 Ų62.531%0.30633%0.33SS..Hα-helixtrans-100.5-25-168.6-75.4-74.4000114.2T207 F208 L230 A262 I266T207-Y211 HydrophobicContact CG2-CD2 3.82Å; T207-Y211 HydrophobicContact CG2-CE2 4.33Å; T207-Y211 WeakPolarHBondContact O-CB 3.45Å; T207-Y211 VanDerWaalsContact O-CD2 3.31Å; T207-Y211 WeakPolarHBondContact O-CD2 3.47Å; T207-Y211 PolarHBondContact O-N 2.89Å; F208-Y211 PolarHBondContact O-N 3.34Å; Y211-L230 HydrophobicContact CD2-CD1 4.15Å; Y211-L230 HydrophobicContact CG-CD1 4.06Å; Y211-A262 HydrophobicContact CD1-CB 3.88Å; Y211-A262 HydrophobicContact CG-CB 4.14Å; Y211-I266 HydrophobicContact CD1-CD1 4.03Å; Y211-I266 HydrophobicContact CD1-CG1 4.23Å; Y211-I266 HydrophobicContact CD2-CD1 4.48Å; Y211-I266 HydrophobicContact CE1-CD1 3.67Å; Y211-I266 HydrophobicContact CE1-CG1 3.52Å; Y211-I266 HydrophobicContact CE2-CD1 4.17Å; Y211-I266 HydrophobicContact CG-CD1 4.43Å
212L91.1Very high92Very high0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-106.3-3.2-176-54.2177000113F208 L214 L230 L233 L255 R258 A259F208-L212 HydrophobicContact CB-CD1 4.08Å; F208-L212 HydrophobicContact CD1-CD1 3.71Å; F208-L212 HydrophobicContact CE1-CD1 4.45Å; F208-L212 HydrophobicContact CG-CD1 4.05Å; F208-L212 WeakPolarHBondContact O-CA 3.38Å; F208-L212 WeakPolarHBondContact O-CB 3.44Å; F208-L212 PolarHBondContact O-N 2.94Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 HydrophobicContact CB-CD1 3.63Å; L212-L214 HydrophobicContact CB-CG 3.66Å; L212-L214 HydrophobicContact CD1-CD1 3.85Å; L212-L214 HydrophobicContact CG-CD1 4.39Å; L212-L214 PolarHBondContact O-N 3.46Å; L212-L230 HydrophobicContact CD1-CD2 3.87Å; L212-L230 HydrophobicContact CD2-CD2 3.74Å; L212-L230 HydrophobicContact CG-CD2 3.74Å; L212-L233 HydrophobicContact CD1-CD1 3.41Å; L212-L233 VanDerWaalsContact CD1-CD1 3.41Å; L212-L255 HydrophobicContact CB-CD1 4.3Å; L212-L255 HydrophobicContact CD1-CD1 3.87Å; L212-R258 HydrophobicContact CD2-CB 3.93Å; L212-R258 WeakPolarHBondContact O-CD 3.39Å; L212-R258 PolarHBondContact O-NH1 2.66Å; L212-A259 VanDerWaalsContact CD2-CA 3.42Å; L212-A259 HydrophobicContact CD2-CB 3.77Å; L212-A259 VanDerWaalsContact CD2-N 3.34Å
213D87.9Confident91.9Very high135 Ų13557 Ų5772%0.72230%0.301SS*.  trans52.450.7-178.6-16436.8000110.9R258D213-R258 PolarHBondContact O-NH1 2.95Å
214L88.4Confident91.8Very high25 Ų2561.8 Ų61.813%0.13132%0.315CS..  trans-105.3153.7177.2-57.9173.5000108.9F208 L212 F218 L222 L255F208-L214 HydrophobicContact CB-CD1 4.38Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 HydrophobicContact CB-CD1 3.63Å; L212-L214 HydrophobicContact CB-CG 3.66Å; L212-L214 HydrophobicContact CD1-CD1 3.85Å; L212-L214 HydrophobicContact CG-CD1 4.39Å; L212-L214 PolarHBondContact O-N 3.46Å; L214-F218 HydrophobicContact CB-CD1 4.22Å; L214-F218 HydrophobicContact CD1-CD1 3.87Å; L214-F218 HydrophobicContact CD1-CE1 4.06Å; L214-F218 HydrophobicContact CD2-CD1 3.71Å; L214-F218 HydrophobicContact CD2-CE1 3.65Å; L214-F218 HydrophobicContact CG-CD1 4.11Å; L214-F218 HydrophobicContact CG-CE1 4.38Å; L214-L222 HydrophobicContact CD1-CD1 3.64Å; L214-L255 HydrophobicContact CD1-CD1 3.77Å; L214-L255 HydrophobicContact CD2-CD1 4.13Å; L214-L255 HydrophobicContact CG-CD1 4.41Å
215D91.1Very high91.6Very high102 Ų10266.7 Ų66.755%0.54534%0.337SS..  trans-75158.9166.759.439.9000110.9D217 F218 A219D215-D217 PolarHBondContact O-N 2.89Å; D215-F218 PolarHBondContact O-N 3.44Å; D215-F218 WeakPolarHBondContact OD1-CA 3.46Å; D215-F218 WeakPolarHBondContact OD1-CB 3.44Å; D215-F218 PolarHBondContact OD1-N 3.28Å; D215-A219 WeakPolarHBondContact O-CB 3.45Å; D215-A219 PolarHBondContact O-N 3.12Å
216E92.2Very high91.4Very high130 Ų13068.1 Ų68.161%0.60736%0.357SS*.Hα-helixtrans-61-34.9-178.6-72.1179.2-170.500111.9A219 T220E216-A219 PolarHBondContact O-N 3.26Å; E216-T220 WeakPolarHBondContact O-CB 3.12Å; E216-T220 PolarHBondContact O-N 3.47Å; E216-T220 PolarHBondContact O-OG1 2.89Å
217D91.4Very high91.2Very high131 Ų13165.1 Ų65.170%0.70134%0.34SS*.Hα-helixtrans-63.4-47-179.9-70.8-22.1000110.6D215 T220 V221D215-D217 PolarHBondContact O-N 2.89Å; D217-T220 WeakPolarHBondContact O-CB 3.42Å; D217-T220 PolarHBondContact O-N 3.02Å; D217-V221 WeakPolarHBondContact O-CG2 3.22Å; D217-V221 PolarHBondContact O-N 3.24Å; D217-V221 VanDerWaalsContact O-N 3.13Å
218F90.3Very high91Very high56 Ų5665.8 Ų65.825%0.24635%0.347CS..Hα-helixtrans-72.8-37.1179-171.6-93.8000112.4L214 D215 T220 V221 L222 L247 T251L214-F218 HydrophobicContact CB-CD1 4.22Å; L214-F218 HydrophobicContact CD1-CD1 3.87Å; L214-F218 HydrophobicContact CD1-CE1 4.06Å; L214-F218 HydrophobicContact CD2-CD1 3.71Å; L214-F218 HydrophobicContact CD2-CE1 3.65Å; L214-F218 HydrophobicContact CG-CD1 4.11Å; L214-F218 HydrophobicContact CG-CE1 4.38Å; D215-F218 PolarHBondContact O-N 3.44Å; D215-F218 WeakPolarHBondContact OD1-CA 3.46Å; D215-F218 WeakPolarHBondContact OD1-CB 3.44Å; D215-F218 PolarHBondContact OD1-N 3.28Å; F218-T220 VanDerWaalsContact C-N 3.26Å; F218-T220 PolarHBondContact O-N 3.01Å; F218-V221 PolarHBondContact O-N 3.01Å; F218-L222 HydrophobicContact CD1-CD1 4.18Å; F218-L222 HydrophobicContact CD1-CG 4.42Å; F218-L222 HydrophobicContact CE1-CD1 4.09Å; F218-L222 HydrophobicContact CE1-CG 4.41Å; F218-L222 PolarHBondContact O-N 3Å; F218-L222 VanDerWaalsContact O-N 3.09Å; F218-L247 HydrophobicContact CE1-CD2 4.29Å; F218-L247 HydrophobicContact CE2-CD2 3.61Å; F218-L247 HydrophobicContact CZ-CD2 3.22Å; F218-T251 HydrophobicContact CZ-CG2 4.48Å
219A92.5Very high90.9Very high0 Ų068.1 Ų68.10%036%0.362CS..Hα-helixtrans-61-38.1171.700000111.6I205 F208 D215 E216 L222 V223I205-A219 HydrophobicContact CG2-CB 4.07Å; F208-A219 HydrophobicContact CB-CB 3.99Å; D215-A219 WeakPolarHBondContact O-CB 3.45Å; D215-A219 PolarHBondContact O-N 3.12Å; E216-A219 PolarHBondContact O-N 3.26Å; A219-L222 PolarHBondContact O-N 3.31Å; A219-V223 WeakPolarHBondContact O-CG2 3.39Å; A219-V223 PolarHBondContact O-N 3.28Å; A219-V223 VanDerWaalsContact O-N 3.13Å
220T92.8Very high90.8Very high47 Ų4766.4 Ų66.429%0.28835%0.351SS..Hα-helixtrans-63.3-44175.2-57.50000111.2I205 E216 D217 F218 L222 V223 E224I205-T220 HydrophobicContact CD1-CG2 4.42Å; E216-T220 WeakPolarHBondContact O-CB 3.12Å; E216-T220 PolarHBondContact O-N 3.47Å; E216-T220 PolarHBondContact O-OG1 2.89Å; D217-T220 WeakPolarHBondContact O-CB 3.42Å; D217-T220 PolarHBondContact O-N 3.02Å; F218-T220 VanDerWaalsContact C-N 3.26Å; F218-T220 PolarHBondContact O-N 3.01Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 3.27Å; T220-V223 PolarHBondContact O-N 3.07Å; T220-V223 VanDerWaalsContact O-N 3.16Å; T220-E224 HydrophobicContact CG2-CG 4.35Å; T220-E224 WeakPolarHBondContact O-CG 3.32Å; T220-E224 PolarHBondContact O-N 3.18Å
221V91.5Very high90.8Very high56 Ų5664 Ų6434%0.33934%0.342SS..Hα-helixtrans-58.9-43.6175.7173.80000111.3D217 F218 V223 E224 E225 I244D217-V221 WeakPolarHBondContact O-CG2 3.22Å; D217-V221 PolarHBondContact O-N 3.24Å; D217-V221 VanDerWaalsContact O-N 3.13Å; F218-V221 PolarHBondContact O-N 3.01Å; V221-V223 VanDerWaalsContact C-N 3.31Å; V221-V223 PolarHBondContact O-N 3.24Å; V221-E224 PolarHBondContact O-N 3.46Å; V221-E225 HydrophobicContact CG1-CG 4.38Å; V221-E225 VanDerWaalsContact O-CG 3.31Å; V221-E225 WeakPolarHBondContact O-CG 3.37Å; V221-E225 PolarHBondContact O-N 3.39Å; V221-I244 HydrophobicContact CG1-CG2 4.08Å
222L91.7Very high90.7Very high2 Ų263.2 Ų63.21%0.0134%0.341CS..Hα-helixtrans-60.4-41177-68.5176.2000112.2F208 L214 F218 A219 T220 E225 G226 F227 L233 I244 L247 L255F208-L222 HydrophobicContact CD2-CB 4.31Å; F208-L222 HydrophobicContact CD2-CD1 4.44Å; F208-L222 HydrophobicContact CE2-CB 4.19Å; L214-L222 HydrophobicContact CD1-CD1 3.64Å; F218-L222 HydrophobicContact CD1-CD1 4.18Å; F218-L222 HydrophobicContact CD1-CG 4.42Å; F218-L222 HydrophobicContact CE1-CD1 4.09Å; F218-L222 HydrophobicContact CE1-CG 4.41Å; F218-L222 PolarHBondContact O-N 3Å; F218-L222 VanDerWaalsContact O-N 3.09Å; A219-L222 PolarHBondContact O-N 3.31Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 3.27Å; L222-E225 PolarHBondContact O-N 2.85Å; L222-G226 PolarHBondContact O-N 2.79Å; L222-F227 WeakPolarHBondContact O-CB 3.28Å; L222-F227 PolarHBondContact O-N 3.25Å; L222-L233 HydrophobicContact CD1-CD1 4.27Å; L222-L233 HydrophobicContact CD1-CD2 4.45Å; L222-L233 HydrophobicContact CD2-CD2 4.36Å; L222-I244 HydrophobicContact CD2-CD1 3.97Å; L222-L247 HydrophobicContact CD2-CD1 4.31Å; L222-L255 HydrophobicContact CD1-CD2 4.25Å; L222-L255 HydrophobicContact CD2-CD2 4.34Å
223V92.3Very high90.7Very high28 Ų2863.2 Ų63.217%0.1734%0.341CS..Hα-helixtrans-68.9-39.1177.4175.10000112A201 A204 I205 F208 A219 T220 V221 E225 G226 F227A201-V223 HydrophobicContact CB-CG1 3.82Å; A204-V223 HydrophobicContact CB-CG2 3.72Å; I205-V223 HydrophobicContact CG1-CG2 3.95Å; F208-V223 HydrophobicContact CD2-CG2 4.05Å; F208-V223 HydrophobicContact CE2-CG2 3.78Å; A219-V223 WeakPolarHBondContact O-CG2 3.39Å; A219-V223 PolarHBondContact O-N 3.28Å; A219-V223 VanDerWaalsContact O-N 3.13Å; T220-V223 PolarHBondContact O-N 3.07Å; T220-V223 VanDerWaalsContact O-N 3.16Å; V221-V223 VanDerWaalsContact C-N 3.31Å; V221-V223 PolarHBondContact O-N 3.24Å; V223-E225 VanDerWaalsContact C-N 3.3Å; V223-E225 PolarHBondContact O-N 3.02Å; V223-G226 PolarHBondContact O-N 2.87Å; V223-F227 WeakPolarHBondContact CA-O 3.35Å; V223-F227 WeakPolarHBondContact CG2-O 3.22Å
224E90.6Very high90.9Very high153 Ų15356.8 Ų56.872%0.71531%0.307SS*.Hα-helixtrans-65.2-32.7175.4-72.9-177.8168.800112.8T220 V221 G226T220-E224 HydrophobicContact CG2-CG 4.35Å; T220-E224 WeakPolarHBondContact O-CG 3.32Å; T220-E224 PolarHBondContact O-N 3.18Å; V221-E224 PolarHBondContact O-N 3.46Å; E224-G226 PolarHBondContact O-N 3.5Å
225E89.1Confident91.1Very high109 Ų10963.1 Ų63.151%0.50933%0.33SS..THydrogen-bonded Turntrans-76.9-2.6172.7-66.9-67.1159.100113.3V221 L222 V223 F227 I244V221-E225 HydrophobicContact CG1-CG 4.38Å; V221-E225 VanDerWaalsContact O-CG 3.31Å; V221-E225 WeakPolarHBondContact O-CG 3.37Å; V221-E225 PolarHBondContact O-N 3.39Å; L222-E225 PolarHBondContact O-N 2.85Å; V223-E225 VanDerWaalsContact C-N 3.3Å; V223-E225 PolarHBondContact O-N 3.02Å; E225-F227 HydrophobicContact CB-CD2 4.3Å; E225-F227 HydrophobicContact CB-CE2 4.46Å; E225-I244 HydrophobicContact CB-CD1 3.96Å; E225-I244 HydrophobicContact CB-CG1 4.17Å; E225-I244 HydrophobicContact CG-CB 4.46Å; E225-I244 HydrophobicContact CG-CD1 4.1Å; E225-I244 HydrophobicContact CG-CG1 3.93Å; E225-I244 HydrophobicContact CG-CG2 3.91Å
226G88.1Confident91Very high54 Ų5459.5 Ų59.556%0.55731%0.311SS*.THydrogen-bonded Turntrans101.98.6171.400000115.9L222 V223 E224L222-G226 PolarHBondContact O-N 2.79Å; V223-G226 PolarHBondContact O-N 2.87Å; E224-G226 PolarHBondContact O-N 3.5Å
227F90.1Very high90.9Very high17 Ų1756.8 Ų56.88%0.07531%0.305CS..  trans-88.2123.8175.4-64.4-89.9000110.7F208 L222 V223 E225 E232 L233 V236 L241 I244F208-F227 HydrophobicContact CE2-CB 4.38Å; F208-F227 WeakPolarHBondContact CE2-O 3.42Å; F208-F227 HydrophobicContact CZ-CB 4.3Å; L222-F227 WeakPolarHBondContact O-CB 3.28Å; L222-F227 PolarHBondContact O-N 3.25Å; V223-F227 WeakPolarHBondContact CA-O 3.35Å; V223-F227 WeakPolarHBondContact CG2-O 3.22Å; E225-F227 HydrophobicContact CB-CD2 4.3Å; E225-F227 HydrophobicContact CB-CE2 4.46Å; F227-E232 HydrophobicContact CD1-CB 3.95Å; F227-L233 HydrophobicContact CB-CD2 3.85Å; F227-L233 HydrophobicContact CB-CG 4.26Å; F227-L233 HydrophobicContact CD1-CD2 3.44Å; F227-L233 VanDerWaalsContact CD1-CD2 3.44Å; F227-L233 HydrophobicContact CD1-CG 4.07Å; F227-L233 HydrophobicContact CD2-CD2 4.38Å; F227-L233 HydrophobicContact CE1-CD2 4.09Å; F227-L233 HydrophobicContact CG-CD2 3.61Å; F227-L233 HydrophobicContact CG-CG 4.39Å; F227-V236 HydrophobicContact CE1-CB 4.1Å; F227-V236 HydrophobicContact CE1-CG1 3.95Å; F227-V236 HydrophobicContact CE1-CG2 4.06Å; F227-V236 HydrophobicContact CZ-CG1 4.16Å; F227-L241 HydrophobicContact CD1-CD2 4.29Å; F227-L241 HydrophobicContact CE1-CD2 3.59Å; F227-L241 HydrophobicContact CE1-CG 4.4Å; F227-L241 HydrophobicContact CE2-CD2 3.89Å; F227-L241 HydrophobicContact CZ-CD2 3.37Å; F227-L241 HydrophobicContact CZ-CG 4.16Å; F227-I244 HydrophobicContact CD2-CD1 4.16Å; F227-I244 HydrophobicContact CE2-CD1 3.69Å
228S88.6Confident90.8Very high65 Ų6553.4 Ų53.446%0.45529%0.286SS..  trans-121.7-17.4-176.867.40000113.4E232S228-E232 PolarHBondContact N-OE2 3.36Å; S228-E232 PolarHBondContact OG-OE2 3.31Å
229T91.3Very high90.8Very high49 Ų4957.7 Ų57.730%0.30130%0.304SS..SBendtrans-128.2158.5-17767.20000113.4E231 E232 L233T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 WeakPolarHBondContact CB-OE2 3.2Å; T229-E232 PolarHBondContact N-OE2 3.16Å; T229-E232 VanDerWaalsContact OG1-CD 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.22Å; T229-E232 PolarHBondContact OG1-N 2.97Å; T229-E232 PolarHBondContact OG1-OE2 2.84Å; T229-L233 PolarHBondContact O-N 2.98Å
230L92.4Very high90.6Very high7 Ų762.4 Ų62.44%0.03733%0.326CS..Hα-helixtrans-69.1-30.2175.1-67.9173000111.1T207 F208 Y211 L212 L233 A234 A262 L263 I266T207-L230 HydrophobicContact CG2-CD1 3.98Å; T207-L230 HydrophobicContact CG2-CD2 4.37Å; T207-L230 HydrophobicContact CG2-CG 3.95Å; F208-L230 HydrophobicContact CD1-CD2 3.94Å; F208-L230 HydrophobicContact CE1-CD2 4.19Å; Y211-L230 HydrophobicContact CD2-CD1 4.15Å; Y211-L230 HydrophobicContact CG-CD1 4.06Å; L212-L230 HydrophobicContact CD1-CD2 3.87Å; L212-L230 HydrophobicContact CD2-CD2 3.74Å; L212-L230 HydrophobicContact CG-CD2 3.74Å; L230-L233 PolarHBondContact O-N 2.77Å; L230-A234 VanDerWaalsContact O-CB 3.27Å; L230-A234 WeakPolarHBondContact O-CB 3.47Å; L230-A234 PolarHBondContact O-N 2.9Å; L230-A262 HydrophobicContact CD1-CB 4.15Å; L230-L263 HydrophobicContact CB-CD2 3.79Å; L230-L263 HydrophobicContact CB-CG 4.05Å; L230-L263 HydrophobicContact CD1-CD2 4.38Å; L230-I266 HydrophobicContact CD1-CD1 3.72Å
231E91.2Very high90.4Very high100 Ų10060.1 Ų60.147%0.46731%0.313SS..Hα-helixtrans-63.7-46.6177.6-69.779.6-178.800111.7T229 L233 A234 Y235 L263T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 WeakPolarHBondContact CB-OE2 3.2Å; E231-L233 PolarHBondContact O-N 3.36Å; E231-A234 PolarHBondContact O-N 2.68Å; E231-A234 VanDerWaalsContact O-N 3.15Å; E231-Y235 VanDerWaalsContact O-CD2 3.29Å; E231-Y235 WeakPolarHBondContact O-CD2 3.41Å; E231-Y235 PolarHBondContact O-N 3.34Å; E231-L263 HydrophobicContact CG-CD1 4.2Å; E231-L263 HydrophobicContact CG-CD2 4.13Å; E231-L263 WeakPolarHBondContact OE1-CD2 3.11Å
232E89.9Confident90.3Very high61 Ų6160.6 Ų60.629%0.28531%0.313SS..Hα-helixtrans-56.5-53174.6-74.1163.6165.600109.9F227 S228 T229 A234 Y235 V236F227-E232 HydrophobicContact CD1-CB 3.95Å; S228-E232 PolarHBondContact N-OE2 3.36Å; S228-E232 PolarHBondContact OG-OE2 3.31Å; T229-E232 PolarHBondContact N-OE2 3.16Å; T229-E232 VanDerWaalsContact OG1-CD 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.22Å; T229-E232 PolarHBondContact OG1-N 2.97Å; T229-E232 PolarHBondContact OG1-OE2 2.84Å; E232-A234 PolarHBondContact O-N 2.98Å; E232-Y235 PolarHBondContact O-N 3.1Å; E232-V236 HydrophobicContact CB-CG2 4.16Å; E232-V236 WeakPolarHBondContact O-CB 3.46Å; E232-V236 WeakPolarHBondContact O-CG2 3.38Å; E232-V236 PolarHBondContact O-N 3.34Å
233L91.6Very high90.2Very high0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-59.6-34.8178-67.1176.2000112.6F208 L212 L222 F227 T229 L230 E231 L241 L255 R256 A259F208-L233 HydrophobicContact CD1-CD1 3.83Å; F208-L233 HydrophobicContact CD2-CD1 4.47Å; F208-L233 HydrophobicContact CE1-CD1 3.42Å; F208-L233 VanDerWaalsContact CE1-CD1 3.42Å; F208-L233 HydrophobicContact CE1-CG 4.34Å; F208-L233 HydrophobicContact CE2-CD1 4.12Å; F208-L233 HydrophobicContact CG-CD1 4.35Å; F208-L233 HydrophobicContact CZ-CD1 3.59Å; F208-L233 HydrophobicContact CZ-CG 4.25Å; L212-L233 HydrophobicContact CD1-CD1 3.41Å; L212-L233 VanDerWaalsContact CD1-CD1 3.41Å; L222-L233 HydrophobicContact CD1-CD1 4.27Å; L222-L233 HydrophobicContact CD1-CD2 4.45Å; L222-L233 HydrophobicContact CD2-CD2 4.36Å; F227-L233 HydrophobicContact CB-CD2 3.85Å; F227-L233 HydrophobicContact CB-CG 4.26Å; F227-L233 HydrophobicContact CD1-CD2 3.44Å; F227-L233 VanDerWaalsContact CD1-CD2 3.44Å; F227-L233 HydrophobicContact CD1-CG 4.07Å; F227-L233 HydrophobicContact CD2-CD2 4.38Å; F227-L233 HydrophobicContact CE1-CD2 4.09Å; F227-L233 HydrophobicContact CG-CD2 3.61Å; F227-L233 HydrophobicContact CG-CG 4.39Å; T229-L233 PolarHBondContact O-N 2.98Å; L230-L233 PolarHBondContact O-N 2.77Å; E231-L233 PolarHBondContact O-N 3.36Å; L233-L241 HydrophobicContact CD2-CD2 3.84Å; L233-L255 HydrophobicContact CD2-CD2 4.27Å; L233-R256 WeakPolarHBondContact O-CG 3.18Å; L233-A259 HydrophobicContact CB-CB 4.2Å
234A92.5Very high89.9Confident0 Ų065.9 Ų65.90%034%0.336CS..Hα-helixtrans-73.7-33.5-179.400000113.7L230 E231 E232 R256 A259 K260 L263L230-A234 VanDerWaalsContact O-CB 3.27Å; L230-A234 WeakPolarHBondContact O-CB 3.47Å; L230-A234 PolarHBondContact O-N 2.9Å; E231-A234 PolarHBondContact O-N 2.68Å; E231-A234 VanDerWaalsContact O-N 3.15Å; E232-A234 PolarHBondContact O-N 2.98Å; A234-R256 VanDerWaalsContact O-CZ 3.28Å; A234-R256 PolarHBondContact O-NE 2.93Å; A234-R256 VanDerWaalsContact O-NE 3.11Å; A234-R256 PolarHBondContact O-NH2 3.43Å; A234-A259 HydrophobicContact CB-CB 4.01Å; A234-K260 HydrophobicContact CB-CG 3.89Å; A234-K260 WeakPolarHBondContact O-CE 3.27Å; A234-L263 HydrophobicContact CB-CD1 3.85Å
235Y91Very high89.6Confident158 Ų15867.6 Ų67.662%0.6234%0.344SS*.Hα-helixtrans-120.8-20.1-165.4-64-67.6000116E231 E232 R256 L263E231-Y235 VanDerWaalsContact O-CD2 3.29Å; E231-Y235 WeakPolarHBondContact O-CD2 3.41Å; E231-Y235 PolarHBondContact O-N 3.34Å; E232-Y235 PolarHBondContact O-N 3.1Å; Y235-R256 PolarHBondContact O-NH2 3.3Å; Y235-L263 HydrophobicContact CE2-CD1 4.23Å
236V89.9Confident89.2Confident26 Ų2665.7 Ų65.716%0.15835%0.354CS..SBendtrans-54.8145.1176.7163.30000111.5F227 E232 M238 E240 R256F227-V236 HydrophobicContact CE1-CB 4.1Å; F227-V236 HydrophobicContact CE1-CG1 3.95Å; F227-V236 HydrophobicContact CE1-CG2 4.06Å; F227-V236 HydrophobicContact CZ-CG1 4.16Å; E232-V236 HydrophobicContact CB-CG2 4.16Å; E232-V236 WeakPolarHBondContact O-CB 3.46Å; E232-V236 WeakPolarHBondContact O-CG2 3.38Å; E232-V236 PolarHBondContact O-N 3.34Å; V236-M238 PolarHBondContact O-N 3Å; V236-E240 HydrophobicContact CG1-CB 3.77Å; V236-E240 HydrophobicContact CG1-CG 4.38Å; V236-E240 VanDerWaalsContact CG1-OE2 3.25Å; V236-E240 WeakPolarHBondContact CG1-OE2 3.3Å; V236-R256 PolarHBondContact O-NH1 2.96Å
237P90.9Very high89Confident73 Ų7363.9 Ų63.947%0.47433%0.331SS..  trans-51.3131.6176.6-29.236.9000112.1K239 E240P237-K239 PolarHBondContact O-N 3.42Å; P237-E240 PolarHBondContact O-N 3.46Å
238M88.7Confident89Confident60 Ų6067.1 Ų67.130%0.29635%0.349SS..Hα-helixtrans-54.9-29.3-177.1-65.9-167.683.900113.3V236 E240 L241 L242 V252 E253V236-M238 PolarHBondContact O-N 3Å; M238-E240 VanDerWaalsContact C-N 3.31Å; M238-E240 PolarHBondContact O-N 3.3Å; M238-L241 PolarHBondContact O-N 3.38Å; M238-L242 VanDerWaalsContact O-CG 3.29Å; M238-L242 WeakPolarHBondContact O-CG 3.46Å; M238-L242 PolarHBondContact O-N 2.81Å; M238-V252 HydrophobicContact CE-CG1 3.94Å; M238-E253 HydrophobicContact CE-CB 4.41Å; M238-E253 HydrophobicContact CE-CG 3.37Å
239K89.7Confident89.1Confident147 Ų14769.8 Ų69.864%0.63936%0.355SS*.Hα-helixtrans-60.8-38.2178.7-168.8-173170.8-146.20112.6P237 L242 E243P237-K239 PolarHBondContact O-N 3.42Å; K239-L242 PolarHBondContact O-N 2.94Å; K239-E243 VanDerWaalsContact CE-OE1 3.29Å; K239-E243 WeakPolarHBondContact CE-OE1 3.44Å; K239-E243 IonicContact NZ-OE1 3.66Å; K239-E243 WeakPolarHBondContact O-CG 3.28Å; K239-E243 PolarHBondContact O-N 2.86Å; K239-E243 VanDerWaalsContact O-N 3.17Å
240E88.2Confident89.1Confident98 Ų9871.5 Ų71.546%0.45837%0.366SS..Hα-helixtrans-68.9-41.3-179.4-68.7172.1-148.300110.9V236 P237 M238 L242 E243V236-E240 HydrophobicContact CG1-CB 3.77Å; V236-E240 HydrophobicContact CG1-CG 4.38Å; V236-E240 VanDerWaalsContact CG1-OE2 3.25Å; V236-E240 WeakPolarHBondContact CG1-OE2 3.3Å; P237-E240 PolarHBondContact O-N 3.46Å; M238-E240 VanDerWaalsContact C-N 3.31Å; M238-E240 PolarHBondContact O-N 3.3Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 2.77Å; E240-E243 PolarHBondContact O-N 2.83Å
241L88.4Confident89Confident0 Ų074 Ų740%038%0.382CS..Hα-helixtrans-64.2-38.2173-67.2169.9000111.8F227 L233 M238 E243 I244 L247 V252 R256F227-L241 HydrophobicContact CD1-CD2 4.29Å; F227-L241 HydrophobicContact CE1-CD2 3.59Å; F227-L241 HydrophobicContact CE1-CG 4.4Å; F227-L241 HydrophobicContact CE2-CD2 3.89Å; F227-L241 HydrophobicContact CZ-CD2 3.37Å; F227-L241 HydrophobicContact CZ-CG 4.16Å; L233-L241 HydrophobicContact CD2-CD2 3.84Å; M238-L241 PolarHBondContact O-N 3.38Å; L241-E243 PolarHBondContact O-N 2.94Å; L241-I244 HydrophobicContact CD2-CD1 4.31Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.37Å; L241-L247 WeakPolarHBondContact O-CD1 3.26Å; L241-V252 HydrophobicContact CB-CG1 3.63Å; L241-V252 HydrophobicContact CB-CG2 3.98Å; L241-V252 HydrophobicContact CD1-CG1 3.69Å; L241-V252 HydrophobicContact CG-CG1 4.31Å; L241-R256 HydrophobicContact CD1-CG 4.06Å
242L91.1Very high89Confident66 Ų6669.2 Ų69.235%0.34636%0.359SS..THydrogen-bonded Turntrans-71.9-11177.6-70.6169.2000114.2M238 K239 E240 I244 E249 V252M238-L242 VanDerWaalsContact O-CG 3.29Å; M238-L242 WeakPolarHBondContact O-CG 3.46Å; M238-L242 PolarHBondContact O-N 2.81Å; K239-L242 PolarHBondContact O-N 2.94Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 2.77Å; L242-I244 VanDerWaalsContact C-N 3.31Å; L242-E249 HydrophobicContact CD2-CB 4.24Å; L242-V252 HydrophobicContact CD2-CB 4.28Å; L242-V252 HydrophobicContact CD2-CG2 3.66Å; L242-V252 HydrophobicContact CG-CG2 4.11Å
243E89.2Confident89.1Confident133 Ų13371.3 Ų71.362%0.62137%0.369SS*.THydrogen-bonded Turntrans-79.6-16.7173.7-75.5172.5-168.500111.9K239 E240 L241K239-E243 VanDerWaalsContact CE-OE1 3.29Å; K239-E243 WeakPolarHBondContact CE-OE1 3.44Å; K239-E243 IonicContact NZ-OE1 3.66Å; K239-E243 WeakPolarHBondContact O-CG 3.28Å; K239-E243 PolarHBondContact O-N 2.86Å; K239-E243 VanDerWaalsContact O-N 3.17Å; E240-E243 PolarHBondContact O-N 2.83Å; L241-E243 PolarHBondContact O-N 2.94Å
244I86.4Confident89.1Confident8 Ų873 Ų734%0.04138%0.384CS..SBendtrans-71.5130176.2-55177.6000110.5V221 L222 E225 F227 L241 L242 G246 L247V221-I244 HydrophobicContact CG1-CG2 4.08Å; L222-I244 HydrophobicContact CD2-CD1 3.97Å; E225-I244 HydrophobicContact CB-CD1 3.96Å; E225-I244 HydrophobicContact CB-CG1 4.17Å; E225-I244 HydrophobicContact CG-CB 4.46Å; E225-I244 HydrophobicContact CG-CD1 4.1Å; E225-I244 HydrophobicContact CG-CG1 3.93Å; E225-I244 HydrophobicContact CG-CG2 3.91Å; F227-I244 HydrophobicContact CD2-CD1 4.16Å; F227-I244 HydrophobicContact CE2-CD1 3.69Å; L241-I244 HydrophobicContact CD2-CD1 4.31Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.37Å; L242-I244 VanDerWaalsContact C-N 3.31Å; I244-G246 PolarHBondContact O-N 3.48Å; I244-L247 HydrophobicContact CB-CD1 3.83Å; I244-L247 HydrophobicContact CB-CG 4.07Å; I244-L247 HydrophobicContact CD1-CD1 3.84Å; I244-L247 HydrophobicContact CG1-CD1 4.3Å; I244-L247 HydrophobicContact CG2-CD1 4.14Å; I244-L247 HydrophobicContact CG2-CG 4.17Å; I244-L247 PolarHBondContact O-N 3.11Å
245E82.9Confident89.1Confident188 Ų18873.3 Ų73.388%0.87939%0.385SS*.THydrogen-bonded Turntrans-62122.8179.4-170.7175.3178.600111.2
246G80.5Confident89.2Confident70 Ų7067.5 Ų67.572%0.72236%0.362SS*.THydrogen-bonded Turntrans98.9-5.2178.600000115.1I244I244-G246 PolarHBondContact O-N 3.48Å
247L85.2Confident89.3Confident15 Ų1572.1 Ų72.18%0.07938%0.382CS..  trans-92.7121.6173.2-64.8-168.6000111.8F218 L222 L241 I244 T251 V252F218-L247 HydrophobicContact CE1-CD2 4.29Å; F218-L247 HydrophobicContact CE2-CD2 3.61Å; F218-L247 HydrophobicContact CZ-CD2 3.22Å; L222-L247 HydrophobicContact CD2-CD1 4.31Å; L241-L247 WeakPolarHBondContact O-CD1 3.26Å; I244-L247 HydrophobicContact CB-CD1 3.83Å; I244-L247 HydrophobicContact CB-CG 4.07Å; I244-L247 HydrophobicContact CD1-CD1 3.84Å; I244-L247 HydrophobicContact CG1-CD1 4.3Å; I244-L247 HydrophobicContact CG2-CD1 4.14Å; I244-L247 HydrophobicContact CG2-CG 4.17Å; I244-L247 PolarHBondContact O-N 3.11Å; L247-T251 HydrophobicContact CD2-CG2 4.04Å; L247-V252 HydrophobicContact CB-CG2 3.77Å; L247-V252 HydrophobicContact CD1-CG2 4.12Å; L247-V252 HydrophobicContact CG-CG2 4.44Å
248D89.3Confident89.5Confident85 Ų8573.6 Ų73.646%0.45538%0.378SS..  trans-101.8163.8168.169.26000111.6P250 T251 V252D248-P250 WeakPolarHBondContact OD1-CD 3.48Å; D248-T251 PolarHBondContact O-N 2.9Å; D248-T251 WeakPolarHBondContact OD1-CB 3.34Å; D248-T251 PolarHBondContact OD1-N 3.48Å; D248-T251 PolarHBondContact OD1-OG1 3.39Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 2.95Å
249E90.5Very high89.7Confident122 Ų12270.8 Ų70.857%0.5736%0.364SS*.Hα-helixtrans-52.5-46.3-178.3-174.1174.9-160.800113L242 T251 V252 E253L242-E249 HydrophobicContact CD2-CB 4.24Å; E249-T251 PolarHBondContact O-N 2.91Å; E249-V252 PolarHBondContact O-N 2.83Å; E249-E253 WeakPolarHBondContact O-CG 3.45Å; E249-E253 PolarHBondContact O-N 3.28Å
250P91.9Very high89.9Confident85 Ų8568 Ų6855%0.55235%0.352SS*.Hα-helixtrans-60.6-40.3174.4-23.834.2000114.4D248 A254D248-P250 WeakPolarHBondContact OD1-CD 3.48Å; P250-A254 WeakPolarHBondContact O-CB 3.23Å; P250-A254 PolarHBondContact O-N 3.37Å
251T89.6Confident90.2Very high58 Ų5867.5 Ų67.536%0.35635%0.352SS..Hα-helixtrans-69.8-41.4-179.5-57.70000111.1F218 L247 D248 E249 A254 L255F218-T251 HydrophobicContact CZ-CG2 4.48Å; L247-T251 HydrophobicContact CD2-CG2 4.04Å; D248-T251 PolarHBondContact O-N 2.9Å; D248-T251 WeakPolarHBondContact OD1-CB 3.34Å; D248-T251 PolarHBondContact OD1-N 3.48Å; D248-T251 PolarHBondContact OD1-OG1 3.39Å; E249-T251 PolarHBondContact O-N 2.91Å; T251-A254 PolarHBondContact O-N 3.03Å; T251-L255 VanDerWaalsContact O-CB 3.3Å; T251-L255 WeakPolarHBondContact O-CB 3.5Å; T251-L255 PolarHBondContact O-N 2.97Å
252V91.1Very high90.5Very high0 Ų067.7 Ų67.70%035%0.354CS..Hα-helixtrans-62.6-45175.1175.10000110.8M238 L241 L242 L247 D248 E249 A254 L255 R256M238-V252 HydrophobicContact CE-CG1 3.94Å; L241-V252 HydrophobicContact CB-CG1 3.63Å; L241-V252 HydrophobicContact CB-CG2 3.98Å; L241-V252 HydrophobicContact CD1-CG1 3.69Å; L241-V252 HydrophobicContact CG-CG1 4.31Å; L242-V252 HydrophobicContact CD2-CB 4.28Å; L242-V252 HydrophobicContact CD2-CG2 3.66Å; L242-V252 HydrophobicContact CG-CG2 4.11Å; L247-V252 HydrophobicContact CB-CG2 3.77Å; L247-V252 HydrophobicContact CD1-CG2 4.12Å; L247-V252 HydrophobicContact CG-CG2 4.44Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 2.95Å; E249-V252 PolarHBondContact O-N 2.83Å; V252-A254 VanDerWaalsContact C-N 3.35Å; V252-A254 PolarHBondContact O-N 3.26Å; V252-L255 PolarHBondContact O-N 3.02Å; V252-R256 HydrophobicContact CG1-CG 4.4Å; V252-R256 VanDerWaalsContact O-CG 3.3Å; V252-R256 WeakPolarHBondContact O-CG 3.34Å; V252-R256 PolarHBondContact O-N 3.47Å
253E92.4Very high90.5Very high105 Ų10566 Ų6649%0.49135%0.345SS..Hα-helixtrans-58.5-46.8176.3-75.2-173.1162.200111.9M238 E249 L255 R256 E257M238-E253 HydrophobicContact CE-CB 4.41Å; M238-E253 HydrophobicContact CE-CG 3.37Å; E249-E253 WeakPolarHBondContact O-CG 3.45Å; E249-E253 PolarHBondContact O-N 3.28Å; E253-L255 PolarHBondContact O-N 3.36Å; E253-R256 PolarHBondContact O-N 3.21Å; E253-E257 WeakPolarHBondContact O-CB 3.42Å; E253-E257 PolarHBondContact O-N 3.15Å
254A91.8Very high90.6Very high37 Ų3762.4 Ų62.431%0.30634%0.339SS..Hα-helixtrans-62.7-42.6177.200000111.9P250 T251 V252 E257 R258P250-A254 WeakPolarHBondContact O-CB 3.23Å; P250-A254 PolarHBondContact O-N 3.37Å; T251-A254 PolarHBondContact O-N 3.03Å; V252-A254 VanDerWaalsContact C-N 3.35Å; V252-A254 PolarHBondContact O-N 3.26Å; A254-E257 PolarHBondContact O-N 3.08Å; A254-R258 VanDerWaalsContact O-CG 3.28Å; A254-R258 WeakPolarHBondContact O-CG 3.38Å; A254-R258 PolarHBondContact O-N 2.83Å
255L91.8Very high90.8Very high5 Ų566.1 Ų66.13%0.02636%0.362CS..Hα-helixtrans-60.1-46.4176.9-177.366.2000111.2L212 L214 L222 L233 T251 V252 E253 E257 R258 A259L212-L255 HydrophobicContact CB-CD1 4.3Å; L212-L255 HydrophobicContact CD1-CD1 3.87Å; L214-L255 HydrophobicContact CD1-CD1 3.77Å; L214-L255 HydrophobicContact CD2-CD1 4.13Å; L214-L255 HydrophobicContact CG-CD1 4.41Å; L222-L255 HydrophobicContact CD1-CD2 4.25Å; L222-L255 HydrophobicContact CD2-CD2 4.34Å; L233-L255 HydrophobicContact CD2-CD2 4.27Å; T251-L255 VanDerWaalsContact O-CB 3.3Å; T251-L255 WeakPolarHBondContact O-CB 3.5Å; T251-L255 PolarHBondContact O-N 2.97Å; V252-L255 PolarHBondContact O-N 3.02Å; E253-L255 PolarHBondContact O-N 3.36Å; L255-E257 PolarHBondContact O-N 3.03Å; L255-R258 PolarHBondContact O-N 2.79Å; L255-A259 WeakPolarHBondContact O-CB 3.43Å; L255-A259 PolarHBondContact O-N 3.49Å
256R93.1Very high91Very high37 Ų3759.3 Ų59.314%0.1433%0.331CS..Hα-helixtrans-62.5-42.1176.6-70.7-170.370.9147.62.2112.2L233 A234 Y235 V236 L241 V252 E253 A259 K260L233-R256 WeakPolarHBondContact O-CG 3.18Å; A234-R256 VanDerWaalsContact O-CZ 3.28Å; A234-R256 PolarHBondContact O-NE 2.93Å; A234-R256 VanDerWaalsContact O-NE 3.11Å; A234-R256 PolarHBondContact O-NH2 3.43Å; Y235-R256 PolarHBondContact O-NH2 3.3Å; V236-R256 PolarHBondContact O-NH1 2.96Å; L241-R256 HydrophobicContact CD1-CG 4.06Å; V252-R256 HydrophobicContact CG1-CG 4.4Å; V252-R256 VanDerWaalsContact O-CG 3.3Å; V252-R256 WeakPolarHBondContact O-CG 3.34Å; V252-R256 PolarHBondContact O-N 3.47Å; E253-R256 PolarHBondContact O-N 3.21Å; R256-A259 PolarHBondContact O-N 3.44Å; R256-K260 WeakPolarHBondContact O-CG 3.47Å; R256-K260 PolarHBondContact O-N 2.93Å
257E93.5Very high91.2Very high123 Ų12358.1 Ų58.158%0.57532%0.315SS*.Hα-helixtrans-63.5-44.2177.7-168.6-177.517500110.9E253 A254 L255 A259 K260 N261E253-E257 WeakPolarHBondContact O-CB 3.42Å; E253-E257 PolarHBondContact O-N 3.15Å; A254-E257 PolarHBondContact O-N 3.08Å; L255-E257 PolarHBondContact O-N 3.03Å; E257-A259 PolarHBondContact O-N 3.07Å; E257-K260 PolarHBondContact O-N 2.91Å; E257-N261 WeakPolarHBondContact O-CB 3.41Å; E257-N261 PolarHBondContact O-N 3.42Å; E257-N261 PolarHBondContact O-ND2 3.39Å
258R94.1Very high91.1Very high104 Ų10462.7 Ų62.739%0.39234%0.336SS..Hα-helixtrans-60.4-45174.3-70.3178.9-166.8-171.60.6111.9L212 D213 A254 L255 K260 N261 A262L212-R258 HydrophobicContact CD2-CB 3.93Å; L212-R258 WeakPolarHBondContact O-CD 3.39Å; L212-R258 PolarHBondContact O-NH1 2.66Å; D213-R258 PolarHBondContact O-NH1 2.95Å; A254-R258 VanDerWaalsContact O-CG 3.28Å; A254-R258 WeakPolarHBondContact O-CG 3.38Å; A254-R258 PolarHBondContact O-N 2.83Å; L255-R258 PolarHBondContact O-N 2.79Å; R258-K260 PolarHBondContact O-N 3.21Å; R258-N261 PolarHBondContact O-N 3.07Å; R258-A262 VanDerWaalsContact O-CB 3.3Å; R258-A262 WeakPolarHBondContact O-CB 3.26Å; R258-A262 PolarHBondContact O-N 3.27Å
259A94.1Very high90.8Very high0 Ų061.1 Ų61.10%033%0.334CS..Hα-helixtrans-60.3-46.2177.100000111.8L212 L233 A234 L255 R256 E257 N261 A262 L263L212-A259 VanDerWaalsContact CD2-CA 3.42Å; L212-A259 HydrophobicContact CD2-CB 3.77Å; L212-A259 VanDerWaalsContact CD2-N 3.34Å; L233-A259 HydrophobicContact CB-CB 4.2Å; A234-A259 HydrophobicContact CB-CB 4.01Å; L255-A259 WeakPolarHBondContact O-CB 3.43Å; L255-A259 PolarHBondContact O-N 3.49Å; R256-A259 PolarHBondContact O-N 3.44Å; E257-A259 PolarHBondContact O-N 3.07Å; A259-N261 PolarHBondContact O-N 3.21Å; A259-A262 WeakPolarHBondContact O-CB 3.24Å; A259-A262 PolarHBondContact O-N 3.49Å; A259-L263 VanDerWaalsContact O-CG 3.3Å; A259-L263 WeakPolarHBondContact O-CG 3.25Å; A259-L263 PolarHBondContact O-N 2.86Å
260K93.9Very high90.1Very high89 Ų8961 Ų6139%0.38733%0.334SS..Hα-helixtrans-62.5-42.5175.8-72.3174.7-178176.60112.7A234 R256 E257 R258 A262 L263 A264A234-K260 HydrophobicContact CB-CG 3.89Å; A234-K260 WeakPolarHBondContact O-CE 3.27Å; R256-K260 WeakPolarHBondContact O-CG 3.47Å; R256-K260 PolarHBondContact O-N 2.93Å; E257-K260 PolarHBondContact O-N 2.91Å; R258-K260 PolarHBondContact O-N 3.21Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-L263 PolarHBondContact O-N 3.01Å; K260-A264 WeakPolarHBondContact O-CB 3.32Å; K260-A264 PolarHBondContact O-N 2.91Å
261N93.9Very high89.1Confident87 Ų8760.7 Ų60.747%0.46533%0.325SS..Hα-helixtrans-66.4-38.1177.4-70.8-21.4000111.5E257 R258 A259 A264 T265E257-N261 WeakPolarHBondContact O-CB 3.41Å; E257-N261 PolarHBondContact O-N 3.42Å; E257-N261 PolarHBondContact O-ND2 3.39Å; R258-N261 PolarHBondContact O-N 3.07Å; A259-N261 PolarHBondContact O-N 3.21Å; N261-A264 PolarHBondContact O-N 3.38Å; N261-T265 WeakPolarHBondContact O-CB 3.47Å; N261-T265 PolarHBondContact O-N 3.33Å; N261-T265 PolarHBondContact O-OG1 3.33Å
262A93.6Very high88.3Confident5 Ų564 Ų644%0.04134%0.336CS..Hα-helixtrans-63.3-48.4174.200000111.4Y211 L230 R258 A259 K260 A264 T265 I266Y211-A262 HydrophobicContact CD1-CB 3.88Å; Y211-A262 HydrophobicContact CG-CB 4.14Å; L230-A262 HydrophobicContact CD1-CB 4.15Å; R258-A262 VanDerWaalsContact O-CB 3.3Å; R258-A262 WeakPolarHBondContact O-CB 3.26Å; R258-A262 PolarHBondContact O-N 3.27Å; A259-A262 WeakPolarHBondContact O-CB 3.24Å; A259-A262 PolarHBondContact O-N 3.49Å; K260-A262 VanDerWaalsContact C-N 3.34Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A262-A264 PolarHBondContact O-N 3.45Å; A262-T265 CarbonylContact O-C 3.6Å; A262-T265 WeakPolarHBondContact O-CB 3.15Å; A262-T265 PolarHBondContact O-N 3.39Å; A262-T265 VanDerWaalsContact O-N 3.12Å; A262-I266 VanDerWaalsContact O-CG1 3.24Å; A262-I266 WeakPolarHBondContact O-CG1 3.32Å; A262-I266 PolarHBondContact O-N 3.12Å
263L92.3Very high87.2Confident29 Ų2968.7 Ų68.715%0.15237%0.369CS..Hα-helixtrans-57.7-44.4174.6-70.3173.2000111.7L230 E231 A234 Y235 A259 K260 T265 I266 A267L230-L263 HydrophobicContact CB-CD2 3.79Å; L230-L263 HydrophobicContact CB-CG 4.05Å; L230-L263 HydrophobicContact CD1-CD2 4.38Å; E231-L263 HydrophobicContact CG-CD1 4.2Å; E231-L263 HydrophobicContact CG-CD2 4.13Å; E231-L263 WeakPolarHBondContact OE1-CD2 3.11Å; A234-L263 HydrophobicContact CB-CD1 3.85Å; Y235-L263 HydrophobicContact CE2-CD1 4.23Å; A259-L263 VanDerWaalsContact O-CG 3.3Å; A259-L263 WeakPolarHBondContact O-CG 3.25Å; A259-L263 PolarHBondContact O-N 2.86Å; K260-L263 PolarHBondContact O-N 3.01Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.4Å; L263-I266 PolarHBondContact O-N 2.91Å; L263-A267 WeakPolarHBondContact O-CB 3.26Å; L263-A267 PolarHBondContact O-N 2.93Å
264A91Very high85.9Confident59 Ų5964.4 Ų64.449%0.48835%0.349SS..Hα-helixtrans-62.9-40.4175.600000112.2K260 N261 A262 A267 Q268K260-A264 WeakPolarHBondContact O-CB 3.32Å; K260-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact O-N 3.38Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A262-A264 PolarHBondContact O-N 3.45Å; A264-A267 PolarHBondContact O-N 3.22Å; A264-Q268 VanDerWaalsContact O-CB 3.3Å; A264-Q268 WeakPolarHBondContact O-CB 3.41Å; A264-Q268 PolarHBondContact O-N 3.13Å
265T90.4Very high84.8Confident86 Ų8664.4 Ų64.453%0.52835%0.353SS..Hα-helixtrans-66.4-40.6177-55.90000111.3N261 A262 L263 Q268 A269N261-T265 WeakPolarHBondContact O-CB 3.47Å; N261-T265 PolarHBondContact O-N 3.33Å; N261-T265 PolarHBondContact O-OG1 3.33Å; A262-T265 CarbonylContact O-C 3.6Å; A262-T265 WeakPolarHBondContact O-CB 3.15Å; A262-T265 PolarHBondContact O-N 3.39Å; A262-T265 VanDerWaalsContact O-N 3.12Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.4Å; T265-Q268 PolarHBondContact O-N 3.27Å; T265-A269 VanDerWaalsContact O-CB 3.25Å; T265-A269 WeakPolarHBondContact O-CB 3.36Å; T265-A269 PolarHBondContact O-N 3.01Å
266I87.6Confident83.6Confident44 Ų4472 Ų7223%0.22639%0.394CS..Hα-helixtrans-64.3-47.7175.9-67.9163.8000109.9Y211 L230 A262 L263 Q268 A269 Q270Y211-I266 HydrophobicContact CD1-CD1 4.03Å; Y211-I266 HydrophobicContact CD1-CG1 4.23Å; Y211-I266 HydrophobicContact CD2-CD1 4.48Å; Y211-I266 HydrophobicContact CE1-CD1 3.67Å; Y211-I266 HydrophobicContact CE1-CG1 3.52Å; Y211-I266 HydrophobicContact CE2-CD1 4.17Å; Y211-I266 HydrophobicContact CG-CD1 4.43Å; L230-I266 HydrophobicContact CD1-CD1 3.72Å; A262-I266 VanDerWaalsContact O-CG1 3.24Å; A262-I266 WeakPolarHBondContact O-CG1 3.32Å; A262-I266 PolarHBondContact O-N 3.12Å; L263-I266 PolarHBondContact O-N 2.91Å; I266-Q268 VanDerWaalsContact C-N 3.32Å; I266-Q268 PolarHBondContact O-N 3.45Å; I266-A269 PolarHBondContact O-N 2.96Å; I266-Q270 WeakPolarHBondContact O-CG 3.4Å; I266-Q270 PolarHBondContact O-N 3.21Å
267A83.3Confident82.8Confident46 Ų4673.9 Ų73.938%0.3841%0.406SS..Hα-helixtrans-60.1-43.1176.900000111.6L263 A264 Q270 E271L263-A267 WeakPolarHBondContact O-CB 3.26Å; L263-A267 PolarHBondContact O-N 2.93Å; A264-A267 PolarHBondContact O-N 3.22Å; A267-Q270 WeakPolarHBondContact O-CB 3.16Å; A267-Q270 PolarHBondContact O-N 2.89Å; A267-E271 WeakPolarHBondContact O-CG 3.27Å; A267-E271 PolarHBondContact O-N 3.16Å
268Q84Confident82.3Confident111 Ų11172.9 Ų72.952%0.51940%0.4SS..Hα-helixtrans-67.7-40.1177.2-166.8-179.4-24.100111.9A264 T265 I266 Q270 E271 E272A264-Q268 VanDerWaalsContact O-CB 3.3Å; A264-Q268 WeakPolarHBondContact O-CB 3.41Å; A264-Q268 PolarHBondContact O-N 3.13Å; T265-Q268 PolarHBondContact O-N 3.27Å; I266-Q268 VanDerWaalsContact C-N 3.32Å; I266-Q268 PolarHBondContact O-N 3.45Å; Q268-Q270 VanDerWaalsContact C-N 3.31Å; Q268-Q270 PolarHBondContact O-N 3.42Å; Q268-E271 CarbonylContact O-C 3.59Å; Q268-E271 PolarHBondContact O-N 3.16Å; Q268-E272 HydrophobicContact CG-CG 4.48Å; Q268-E272 PolarHBondContact NE2-OE1 3.43Å; Q268-E272 WeakPolarHBondContact O-CB 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.35Å; Q268-E272 PolarHBondContact O-N 3.03Å
269A83Confident81.9Confident51 Ų5168.4 Ų68.442%0.42138%0.384SS..Hα-helixtrans-64.8-36.3175.100000111.9T265 I266 E272 S273T265-A269 VanDerWaalsContact O-CB 3.25Å; T265-A269 WeakPolarHBondContact O-CB 3.36Å; T265-A269 PolarHBondContact O-N 3.01Å; I266-A269 PolarHBondContact O-N 2.96Å; A269-E272 PolarHBondContact O-N 3.43Å; A269-S273 VanDerWaalsContact O-CB 3.24Å; A269-S273 WeakPolarHBondContact O-CB 3.46Å; A269-S273 PolarHBondContact O-N 3.04Å; A269-S273 PolarHBondContact O-OG 3.09Å
270Q75.2Confident81.6Confident120 Ų12070.1 Ų70.156%0.56140%0.398SS*.Hα-helixtrans-62.4-49.6170.5-74.2174.3-11.700110.2I266 A267 Q268 E272 S273 L274I266-Q270 WeakPolarHBondContact O-CG 3.4Å; I266-Q270 PolarHBondContact O-N 3.21Å; A267-Q270 WeakPolarHBondContact O-CB 3.16Å; A267-Q270 PolarHBondContact O-N 2.89Å; Q268-Q270 VanDerWaalsContact C-N 3.31Å; Q268-Q270 PolarHBondContact O-N 3.42Å; Q270-E272 VanDerWaalsContact C-N 3.33Å; Q270-E272 PolarHBondContact O-N 3.22Å; Q270-S273 PolarHBondContact O-N 3.06Å; Q270-S273 PolarHBondContact O-OG 2.86Å; Q270-L274 WeakPolarHBondContact O-CD1 3.11Å; Q270-L274 PolarHBondContact O-N 3.31Å; Q270-L274 VanDerWaalsContact O-N 3.11Å
271E71.2Confident81.4Confident79 Ų7971.7 Ų71.737%0.36941%0.411SS..Hα-helixtrans-60.6-38176.1-73.1-172178.600113.7A267 Q268 L274 G275A267-E271 WeakPolarHBondContact O-CG 3.27Å; A267-E271 PolarHBondContact O-N 3.16Å; Q268-E271 CarbonylContact O-C 3.59Å; Q268-E271 PolarHBondContact O-N 3.16Å; E271-L274 PolarHBondContact O-N 3.15Å; E271-G275 PolarHBondContact O-N 3.08Å
272E72.3Confident81.2Confident127 Ų12770.3 Ų70.359%0.59340%0.404SS*.Hα-helixtrans-71.9-35.4176.4-75.7177.5-168.900111.9Q268 A269 Q270 L274 G275Q268-E272 HydrophobicContact CG-CG 4.48Å; Q268-E272 PolarHBondContact NE2-OE1 3.43Å; Q268-E272 WeakPolarHBondContact O-CB 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.35Å; Q268-E272 PolarHBondContact O-N 3.03Å; A269-E272 PolarHBondContact O-N 3.43Å; Q270-E272 VanDerWaalsContact C-N 3.33Å; Q270-E272 PolarHBondContact O-N 3.22Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.07Å; E272-G275 WeakPolarHBondContact O-CA 3.3Å; E272-G275 PolarHBondContact O-N 3.26Å
273S68.5Low81.1Confident98 Ų9870.1 Ų70.169%0.68540%0.402SS*.Hα-helixtrans-66.1-30.4175.175.20000112.4A269 Q270 G275A269-S273 VanDerWaalsContact O-CB 3.24Å; A269-S273 WeakPolarHBondContact O-CB 3.46Å; A269-S273 PolarHBondContact O-N 3.04Å; A269-S273 PolarHBondContact O-OG 3.09Å; Q270-S273 PolarHBondContact O-N 3.06Å; Q270-S273 PolarHBondContact O-OG 2.86Å; S273-G275 VanDerWaalsContact C-N 3.29Å
274L65.3Low80.9Confident16 Ų1671.6 Ų71.68%0.08441%0.41CS..Hα-helixtrans-69.2-28.8167.7-84.590.1000111.4Q270 E271 E272 D276 N277 K278 F295 A298Q270-L274 WeakPolarHBondContact O-CD1 3.11Å; Q270-L274 PolarHBondContact O-N 3.31Å; Q270-L274 VanDerWaalsContact O-N 3.11Å; E271-L274 PolarHBondContact O-N 3.15Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.07Å; L274-D276 PolarHBondContact O-N 3.47Å; L274-N277 WeakPolarHBondContact CD2-O 3.23Å; L274-N277 WeakPolarHBondContact O-CA 3.42Å; L274-N277 VanDerWaalsContact O-CB 3.24Å; L274-N277 WeakPolarHBondContact O-CB 3.36Å; L274-N277 PolarHBondContact O-N 2.81Å; L274-K278 HydrophobicContact CB-CG 4.49Å; L274-F295 HydrophobicContact CD1-CD1 4.05Å; L274-F295 HydrophobicContact CD2-CB 4.46Å; L274-F295 HydrophobicContact CD2-CD1 3.44Å; L274-F295 VanDerWaalsContact CD2-CD1 3.44Å; L274-F295 HydrophobicContact CD2-CE1 4.05Å; L274-F295 HydrophobicContact CD2-CG 4.31Å; L274-F295 HydrophobicContact CG-CD1 4.39Å; L274-A298 HydrophobicContact CD2-CB 3.79Å
275G69.3Low80.9Confident36 Ų3675.2 Ų75.237%0.37142%0.421SS..THydrogen-bonded Turntrans57.4-119.8176.500000112.1E271 E272 S273 K278E271-G275 PolarHBondContact O-N 3.08Å; E272-G275 WeakPolarHBondContact O-CA 3.3Å; E272-G275 PolarHBondContact O-N 3.26Å; S273-G275 VanDerWaalsContact C-N 3.29Å; G275-K278 WeakPolarHBondContact O-CE 3.36Å
276D65.6Low80.9Confident166 Ų16671.5 Ų71.589%0.88840%0.398SS*.THydrogen-bonded Turntrans-80.9-14.3173.1-73.8-23.6000113L274 K278L274-D276 PolarHBondContact O-N 3.47Å; D276-K278 PolarHBondContact O-N 2.98Å
277N77Confident80.9Confident76 Ų7678.1 Ų78.141%0.40643%0.428SS..  trans-81.444.4179.5-61.1-18.9000111.8L274 A298 C303L274-N277 WeakPolarHBondContact CD2-O 3.23Å; L274-N277 WeakPolarHBondContact O-CA 3.42Å; L274-N277 VanDerWaalsContact O-CB 3.24Å; L274-N277 WeakPolarHBondContact O-CB 3.36Å; L274-N277 PolarHBondContact O-N 2.81Å; N277-A298 WeakPolarHBondContact O-CB 3.34Å; N277-C303 WeakPolarHBondContact CA-SG 3.47Å
278K81.7Confident81Confident102 Ų10279.1 Ų79.144%0.44344%0.442SS..PPolyproline II helixtrans-79.5142.3174.1-66.2-178-175.3-171.30109.3L274 G275 D276 A280L274-K278 HydrophobicContact CB-CG 4.49Å; G275-K278 WeakPolarHBondContact O-CE 3.36Å; D276-K278 PolarHBondContact O-N 2.98Å; K278-A280 PolarHBondContact O-N 2.83Å
279P86.4Confident81.1Confident10 Ų1074.5 Ų74.57%0.06542%0.421CS..PPolyproline II helixtrans-61.4128.5174.527.5-33.3000108.9L283 L284 A294 F295 A298 C303P279-L283 HydrophobicContact CB-CD2 3.91Å; P279-L283 HydrophobicContact CB-CG 4.46Å; P279-L284 HydrophobicContact CB-CD2 4.23Å; P279-L284 HydrophobicContact CB-CG 4.11Å; P279-L284 HydrophobicContact CG-CD1 4.44Å; P279-L284 HydrophobicContact CG-CD2 3.94Å; P279-L284 HydrophobicContact CG-CG 4.17Å; P279-A294 HydrophobicContact CB-CB 3.94Å; P279-A294 HydrophobicContact CG-CB 4.09Å; P279-F295 HydrophobicContact CG-CD2 4.16Å; P279-F295 HydrophobicContact CG-CE2 4.07Å; P279-F295 HydrophobicContact CG-CG 4.39Å; P279-F295 HydrophobicContact CG-CZ 4.25Å; P279-A298 HydrophobicContact CB-CB 4.1Å; P279-A298 HydrophobicContact CG-CB 4.29Å; P279-C303 CarbonylContact C-O 3.38Å; P279-C303 WeakPolarHBondContact CA-O 3.49Å
280A88.8Confident81.4Confident35 Ų3576.8 Ų76.829%0.28943%0.427SS..PPolyproline II helixtrans-73162.3176.200000110.7K278 D282 L283 L284 C303 T304K278-A280 PolarHBondContact O-N 2.83Å; A280-D282 WeakPolarHBondContact CB-OD1 3.4Å; A280-D282 PolarHBondContact O-N 3.29Å; A280-D282 VanDerWaalsContact O-N 3.16Å; A280-L283 PolarHBondContact O-N 2.68Å; A280-L283 VanDerWaalsContact O-N 3.08Å; A280-L284 PolarHBondContact O-N 3.02Å; A280-C303 WeakPolarHBondContact CB-O 3.06Å; A280-C303 PolarHBondContact N-O 2.79Å; A280-T304 HydrophobicContact CB-CG2 4.13Å
281D88.6Confident81.9Confident123 Ų12378.6 Ų78.666%0.65843%0.428SS*.Hα-helixtrans-59.1-29.8-175.2-71.8-21.7000112.3N285D281-N285 VanDerWaalsContact O-CB 3.25Å; D281-N285 WeakPolarHBondContact O-CB 3.41Å; D281-N285 PolarHBondContact O-N 3.29Å; D281-N285 PolarHBondContact O-ND2 3.26Å
282D90.4Very high82.5Confident58 Ų5880.4 Ų80.431%0.3144%0.44SS..Hα-helixtrans-64.8-44.9176.665.5-26.4000111.7A280 N285 L286 L305A280-D282 WeakPolarHBondContact CB-OD1 3.4Å; A280-D282 PolarHBondContact O-N 3.29Å; A280-D282 VanDerWaalsContact O-N 3.16Å; D282-N285 PolarHBondContact O-N 3.49Å; D282-L286 PolarHBondContact O-N 2.77Å; D282-L305 HydrophobicContact CB-CB 4.43Å; D282-L305 HydrophobicContact CB-CD1 3.84Å; D282-L305 HydrophobicContact CB-CG 3.95Å; D282-L305 WeakPolarHBondContact O-CD1 3.31Å; D282-L305 WeakPolarHBondContact O-CG 3.02Å; D282-L305 WeakPolarHBondContact OD2-CB 3.4Å; D282-L305 PolarHBondContact OD2-N 2.9Å
283L90.3Very high83.3Confident0 Ų075.3 Ų75.30%042%0.417CS..Hα-helixtrans-68.8-41.1176.8-175.661.9000111.8P279 A280 N285 L286 L297 V302 L305 L308P279-L283 HydrophobicContact CB-CD2 3.91Å; P279-L283 HydrophobicContact CB-CG 4.46Å; A280-L283 PolarHBondContact O-N 2.68Å; A280-L283 VanDerWaalsContact O-N 3.08Å; L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 2.98Å; L283-L286 WeakPolarHBondContact O-CB 3.45Å; L283-L286 PolarHBondContact O-N 3.26Å; L283-L297 HydrophobicContact CD1-CD1 4.3Å; L283-L297 HydrophobicContact CD2-CB 4.48Å; L283-V302 WeakPolarHBondContact CD2-O 3.47Å; L283-L305 HydrophobicContact CD1-CD2 4.22Å; L283-L308 HydrophobicContact CD1-CB 4.25Å; L283-L308 HydrophobicContact CD1-CD2 3.68Å
284L89.7Confident84.2Confident61 Ų6170.7 Ų70.732%0.31939%0.385SS..Hα-helixtrans-65.6-27.7177.5-73.5169.8000113.3P279 A280 A294P279-L284 HydrophobicContact CB-CD2 4.23Å; P279-L284 HydrophobicContact CB-CG 4.11Å; P279-L284 HydrophobicContact CG-CD1 4.44Å; P279-L284 HydrophobicContact CG-CD2 3.94Å; P279-L284 HydrophobicContact CG-CG 4.17Å; A280-L284 PolarHBondContact O-N 3.02Å; L284-A294 HydrophobicContact CD2-CB 3.69Å
285N90.2Very high85.2Confident134 Ų13472 Ų7272%0.71739%0.39SS*.THydrogen-bonded Turntrans-93.12.8179-70.3-48.2000113.2D281 D282 L283 E287D281-N285 VanDerWaalsContact O-CB 3.25Å; D281-N285 WeakPolarHBondContact O-CB 3.41Å; D281-N285 PolarHBondContact O-N 3.29Å; D281-N285 PolarHBondContact O-ND2 3.26Å; D282-N285 PolarHBondContact O-N 3.49Å; L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 2.98Å; N285-E287 PolarHBondContact O-N 3.35Å
286L90Very high86.1Confident9 Ų974.7 Ų74.75%0.04739%0.391CS..SBendtrans-67.4124.2176.2-177.559.6000110.5D282 L283 G288 V289 L305 L308 L330 A333 A334 I337D282-L286 PolarHBondContact O-N 2.77Å; L283-L286 WeakPolarHBondContact O-CB 3.45Å; L283-L286 PolarHBondContact O-N 3.26Å; L286-G288 PolarHBondContact O-N 2.83Å; L286-V289 HydrophobicContact CB-CB 4.31Å; L286-V289 HydrophobicContact CB-CG2 3.96Å; L286-V289 HydrophobicContact CD2-CG2 3.71Å; L286-V289 HydrophobicContact CG-CG2 3.94Å; L286-V289 PolarHBondContact O-N 2.63Å; L286-L305 HydrophobicContact CB-CD2 3.87Å; L286-L305 HydrophobicContact CD1-CD2 4.03Å; L286-L305 HydrophobicContact CD2-CD2 3.65Å; L286-L305 HydrophobicContact CG-CD2 4.04Å; L286-L308 HydrophobicContact CD2-CD2 3.69Å; L286-L330 HydrophobicContact CD2-CD2 4.21Å; L286-A333 HydrophobicContact CD1-CB 4.04Å; L286-A334 HydrophobicContact CD2-CB 4.49Å; L286-I337 HydrophobicContact CD1-CD1 3.45Å; L286-I337 VanDerWaalsContact CD1-CD1 3.45Å
287E87.2Confident87.2Confident183 Ų18366.8 Ų66.886%0.85535%0.349SS*.THydrogen-bonded Turntrans-59.5124.9176.8-169.2177.2-176.900110.9N285N285-E287 PolarHBondContact O-N 3.35Å
288G85.8Confident87.7Confident66 Ų6663.1 Ų63.168%0.6833%0.33SS*.THydrogen-bonded Turntrans93.2-1.8-177.400000115.1L286L286-G288 PolarHBondContact O-N 2.83Å
289V87.3Confident87.8Confident14 Ų1461.7 Ų61.79%0.08534%0.337CS..  trans-102.5117.4169.6-177.30000109.2L286 L293 A294 L330L286-V289 HydrophobicContact CB-CB 4.31Å; L286-V289 HydrophobicContact CB-CG2 3.96Å; L286-V289 HydrophobicContact CD2-CG2 3.71Å; L286-V289 HydrophobicContact CG-CG2 3.94Å; L286-V289 PolarHBondContact O-N 2.63Å; V289-L293 HydrophobicContact CG1-CB 4.29Å; V289-L293 HydrophobicContact CG1-CD2 4.39Å; V289-L293 HydrophobicContact CG1-CG 4.34Å; V289-A294 HydrophobicContact CG1-CB 3.76Å; V289-L330 HydrophobicContact CG2-CD1 3.98Å; V289-L330 HydrophobicContact CG2-CD2 3.6Å; V289-L330 HydrophobicContact CG2-CG 4.38Å
290D88.2Confident87.7Confident100 Ų10065.9 Ų65.954%0.53535%0.351SS..  trans-84.3170.8167.86428.4000110.8D292 L293 A294D290-D292 VanDerWaalsContact C-N 3.34Å; D290-D292 PolarHBondContact O-N 3.19Å; D290-D292 PolarHBondContact OD1-N 3.41Å; D290-L293 PolarHBondContact O-N 3.21Å; D290-L293 WeakPolarHBondContact OD1-CB 3.28Å; D290-L293 PolarHBondContact OD1-N 3.11Å; D290-A294 PolarHBondContact O-N 3.26Å
291R86.4Confident87.6Confident157 Ų15765.8 Ų65.859%0.59235%0.354SS*.Hα-helixtrans-57.9-49.7-178.6-168.3172.3176.5174.6-2.9110.2L293 A294 F295R291-L293 VanDerWaalsContact C-N 3.31Å; R291-L293 PolarHBondContact O-N 3.09Å; R291-A294 WeakPolarHBondContact O-CB 3.4Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.09Å; R291-F295 HydrophobicContact CG-CD2 3.74Å; R291-F295 HydrophobicContact CG-CE2 3.55Å; R291-F295 VanDerWaalsContact O-CD2 3.23Å; R291-F295 WeakPolarHBondContact O-CD2 3.32Å; R291-F295 PolarHBondContact O-N 3.33Å
292D84.3Confident87.6Confident117 Ų11760 Ų6063%0.62632%0.323SS*.Hα-helixtrans-59.8-41.3-176.3-65.5-7.8000112.3D290 F295 K296D290-D292 VanDerWaalsContact C-N 3.34Å; D290-D292 PolarHBondContact O-N 3.19Å; D290-D292 PolarHBondContact OD1-N 3.41Å; D292-F295 PolarHBondContact O-N 2.96Å; D292-K296 WeakPolarHBondContact O-CG 3.37Å; D292-K296 PolarHBondContact O-N 3.2Å
293L87.5Confident87.6Confident21 Ų2158.1 Ų58.111%0.1131%0.314CS..Hα-helixtrans-66-42.1175.4-17761.1000111.9V289 D290 R291 F295 K296 L297 I319 L322 L330V289-L293 HydrophobicContact CG1-CB 4.29Å; V289-L293 HydrophobicContact CG1-CD2 4.39Å; V289-L293 HydrophobicContact CG1-CG 4.34Å; D290-L293 PolarHBondContact O-N 3.21Å; D290-L293 WeakPolarHBondContact OD1-CB 3.28Å; D290-L293 PolarHBondContact OD1-N 3.11Å; R291-L293 VanDerWaalsContact C-N 3.31Å; R291-L293 PolarHBondContact O-N 3.09Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.26Å; L293-K296 WeakPolarHBondContact O-CB 3.25Å; L293-K296 PolarHBondContact O-N 3.39Å; L293-L297 HydrophobicContact CG-CD1 4.36Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.5Å; L293-I319 HydrophobicContact CD1-CG2 4.14Å; L293-L322 HydrophobicContact CD1-CB 4.28Å; L293-L322 HydrophobicContact CD1-CD1 4.24Å; L293-L322 HydrophobicContact CD2-CD1 4.17Å; L293-L330 HydrophobicContact CD2-CD1 3.76Å
294A88.7Confident87.7Confident0 Ų060 Ų600%033%0.326CS..Hα-helixtrans-59.2-42.1175.500000111.5P279 L284 V289 D290 R291 L297 A298P279-A294 HydrophobicContact CB-CB 3.94Å; P279-A294 HydrophobicContact CG-CB 4.09Å; L284-A294 HydrophobicContact CD2-CB 3.69Å; V289-A294 HydrophobicContact CG1-CB 3.76Å; D290-A294 PolarHBondContact O-N 3.26Å; R291-A294 WeakPolarHBondContact O-CB 3.4Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.09Å; A294-L297 PolarHBondContact O-N 3.34Å; A294-A298 VanDerWaalsContact O-CB 3.29Å; A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 2.93Å
295F86.6Confident87.8Confident44 Ų4457.7 Ų57.719%0.19331%0.314CS..Hα-helixtrans-67.3-37.6176.2-82.8-91.7000112.3L274 P279 R291 D292 L293 A298 A299L274-F295 HydrophobicContact CD1-CD1 4.05Å; L274-F295 HydrophobicContact CD2-CB 4.46Å; L274-F295 HydrophobicContact CD2-CD1 3.44Å; L274-F295 VanDerWaalsContact CD2-CD1 3.44Å; L274-F295 HydrophobicContact CD2-CE1 4.05Å; L274-F295 HydrophobicContact CD2-CG 4.31Å; L274-F295 HydrophobicContact CG-CD1 4.39Å; P279-F295 HydrophobicContact CG-CD2 4.16Å; P279-F295 HydrophobicContact CG-CE2 4.07Å; P279-F295 HydrophobicContact CG-CG 4.39Å; P279-F295 HydrophobicContact CG-CZ 4.25Å; R291-F295 HydrophobicContact CG-CD2 3.74Å; R291-F295 HydrophobicContact CG-CE2 3.55Å; R291-F295 VanDerWaalsContact O-CD2 3.23Å; R291-F295 WeakPolarHBondContact O-CD2 3.32Å; R291-F295 PolarHBondContact O-N 3.33Å; D292-F295 PolarHBondContact O-N 2.96Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.26Å; F295-A298 PolarHBondContact O-N 3.4Å; F295-A299 WeakPolarHBondContact O-CB 3.29Å; F295-A299 PolarHBondContact O-N 2.89Å
296K86.8Confident87.9Confident92 Ų9257.5 Ų57.540%0.431%0.308SS..Hα-helixtrans-63.3-39.4173.3-74.4173.2176.2-179.20112.7D292 L293 I319 E320D292-K296 WeakPolarHBondContact O-CG 3.37Å; D292-K296 PolarHBondContact O-N 3.2Å; L293-K296 WeakPolarHBondContact O-CB 3.25Å; L293-K296 PolarHBondContact O-N 3.39Å; K296-I319 HydrophobicContact CB-CG2 3.85Å; K296-I319 HydrophobicContact CD-CG2 3.86Å; K296-I319 HydrophobicContact CG-CG2 4.4Å; K296-E320 PolarHBondContact NZ-O 2.84Å
297L89Confident88.1Confident0 Ų059.4 Ų59.40%032%0.319CS..Hα-helixtrans-64.7-47.7174.1-71.8168.9000110.8L283 L293 A294 A299 R300 V302 L308 L316 I319L283-L297 HydrophobicContact CD1-CD1 4.3Å; L283-L297 HydrophobicContact CD2-CB 4.48Å; L293-L297 HydrophobicContact CG-CD1 4.36Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.5Å; A294-L297 PolarHBondContact O-N 3.34Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 3.44Å; L297-R300 WeakPolarHBondContact O-CA 3.47Å; L297-R300 WeakPolarHBondContact O-CB 3.44Å; L297-R300 PolarHBondContact O-N 2.81Å; L297-V302 CarbonylContact C-O 3.55Å; L297-V302 HydrophobicContact CB-CB 4.21Å; L297-V302 HydrophobicContact CB-CG1 4.38Å; L297-V302 WeakPolarHBondContact O-CB 3.37Å; L297-V302 PolarHBondContact O-N 3.22Å; L297-L308 HydrophobicContact CD1-CD1 4.29Å; L297-L308 HydrophobicContact CD1-CD2 4.5Å; L297-L308 HydrophobicContact CD2-CD1 4.09Å; L297-L316 HydrophobicContact CD2-CD1 4.13Å; L297-L316 HydrophobicContact CD2-CD2 3.65Å; L297-L316 HydrophobicContact CD2-CG 4.5Å; L297-I319 HydrophobicContact CD2-CD1 3.58Å; L297-I319 HydrophobicContact CG-CD1 4.27Å
298A88.3Confident88.4Confident0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-66.1-29.9-17800000113L274 N277 P279 A294 F295 R300 G301 V302L274-A298 HydrophobicContact CD2-CB 3.79Å; N277-A298 WeakPolarHBondContact O-CB 3.34Å; P279-A298 HydrophobicContact CB-CB 4.1Å; P279-A298 HydrophobicContact CG-CB 4.29Å; A294-A298 VanDerWaalsContact O-CB 3.29Å; A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 2.93Å; F295-A298 PolarHBondContact O-N 3.4Å; A298-R300 PolarHBondContact O-N 3.01Å; A298-R300 VanDerWaalsContact O-N 3.12Å; A298-G301 WeakPolarHBondContact O-CA 3.39Å; A298-G301 PolarHBondContact O-N 2.92Å; A298-V302 WeakPolarHBondContact CA-O 3.34Å; A298-V302 PolarHBondContact N-O 3.04Å
299A84.1Confident88.7Confident71 Ų7148.2 Ų48.259%0.58725%0.251SS*.THydrogen-bonded Turntrans-60.1-19.216900000113.8F295 L297F295-A299 WeakPolarHBondContact O-CB 3.29Å; F295-A299 PolarHBondContact O-N 2.89Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 3.44Å
300R84.5Confident89Confident98 Ų9855 Ų5537%0.3728%0.282SS..THydrogen-bonded Turntrans-94.98.9171.8-60-167.7178.7-169.4-3.7113.9L297 A298 V302 D315 D318L297-R300 WeakPolarHBondContact O-CA 3.47Å; L297-R300 WeakPolarHBondContact O-CB 3.44Å; L297-R300 PolarHBondContact O-N 2.81Å; A298-R300 PolarHBondContact O-N 3.01Å; A298-R300 VanDerWaalsContact O-N 3.12Å; R300-V302 VanDerWaalsContact C-N 3.32Å; R300-D315 PolarHBondContact NH1-O 3.5Å; R300-D318 PolarHBondContact NH2-O 3.31Å
301G85.8Confident89.2Confident34 Ų3452.5 Ų52.535%0.35127%0.267SS..THydrogen-bonded Turntrans82.36.9-175.200000114A298 C303A298-G301 WeakPolarHBondContact O-CA 3.39Å; A298-G301 PolarHBondContact O-N 2.92Å; G301-C303 PolarHBondContact O-N 3.23Å
302V89.6Confident89.4Confident1 Ų146.2 Ų46.21%0.00625%0.251CS..  trans-86.790.9175.6-177.50000109L283 L297 A298 R300 D307 L308 Q311L283-V302 WeakPolarHBondContact CD2-O 3.47Å; L297-V302 CarbonylContact C-O 3.55Å; L297-V302 HydrophobicContact CB-CB 4.21Å; L297-V302 HydrophobicContact CB-CG1 4.38Å; L297-V302 WeakPolarHBondContact O-CB 3.37Å; L297-V302 PolarHBondContact O-N 3.22Å; A298-V302 WeakPolarHBondContact CA-O 3.34Å; A298-V302 PolarHBondContact N-O 3.04Å; R300-V302 VanDerWaalsContact C-N 3.32Å; V302-D307 HydrophobicContact CB-CB 4.38Å; V302-D307 HydrophobicContact CG1-CB 3.9Å; V302-L308 HydrophobicContact CG1-CB 3.72Å; V302-L308 HydrophobicContact CG1-CD1 4.24Å; V302-Q311 HydrophobicContact CG2-CG 3.77Å
303C89.7Confident89.7Confident19 Ų1944 Ų4413%0.12824%0.238CC..  trans-99.7-29-170.3-55.50000112.4N277 P279 A280 G301 D307N277-C303 WeakPolarHBondContact CA-SG 3.47Å; P279-C303 CarbonylContact C-O 3.38Å; P279-C303 WeakPolarHBondContact CA-O 3.49Å; A280-C303 WeakPolarHBondContact CB-O 3.06Å; A280-C303 PolarHBondContact N-O 2.79Å; G301-C303 PolarHBondContact O-N 3.23Å; C303-D307 PolarHBondContact N-OD2 3.36Å
304T92.5Very high89.9Confident39 Ų3949.5 Ų49.524%0.23927%0.268CS..SBendtrans-118169.7-176.163.80000111.9A280 E306 D307 L308A280-T304 HydrophobicContact CB-CG2 4.13Å; T304-E306 PolarHBondContact O-N 2.91Å; T304-E306 PolarHBondContact OG1-N 3.38Å; T304-D307 PolarHBondContact N-OD2 2.59Å; T304-D307 PolarHBondContact O-N 3.46Å; T304-D307 PolarHBondContact OG1-N 3.33Å; T304-D307 VanDerWaalsContact OG1-N 3.12Å; T304-D307 PolarHBondContact OG1-OD1 3.47Å; T304-D307 PolarHBondContact OG1-OD2 2.81Å; T304-L308 PolarHBondContact O-N 2.85Å
305L92Very high89.9Confident12 Ų1253.7 Ų53.76%0.06329%0.29CS..Hα-helixtrans-62.4-34.7170.3-81.5178.9000112.3D282 L283 L286 L308 A309 A334 I337D282-L305 HydrophobicContact CB-CB 4.43Å; D282-L305 HydrophobicContact CB-CD1 3.84Å; D282-L305 HydrophobicContact CB-CG 3.95Å; D282-L305 WeakPolarHBondContact O-CD1 3.31Å; D282-L305 WeakPolarHBondContact O-CG 3.02Å; D282-L305 WeakPolarHBondContact OD2-CB 3.4Å; D282-L305 PolarHBondContact OD2-N 2.9Å; L283-L305 HydrophobicContact CD1-CD2 4.22Å; L286-L305 HydrophobicContact CB-CD2 3.87Å; L286-L305 HydrophobicContact CD1-CD2 4.03Å; L286-L305 HydrophobicContact CD2-CD2 3.65Å; L286-L305 HydrophobicContact CG-CD2 4.04Å; L305-L308 PolarHBondContact O-N 3.28Å; L305-A309 WeakPolarHBondContact O-CB 3.45Å; L305-A309 PolarHBondContact O-N 3.12Å; L305-A334 HydrophobicContact CD2-CB 4.01Å; L305-I337 HydrophobicContact CD1-CB 4.42Å; L305-I337 HydrophobicContact CD1-CD1 4.17Å; L305-I337 HydrophobicContact CD1-CG2 3.9Å
306E92Very high90.1Very high130 Ų13051.7 Ų51.761%0.60728%0.282SS*.Hα-helixtrans-64.8-45.6177-69.3-177.6175.800110.6T304 L308 A309 E310T304-E306 PolarHBondContact O-N 2.91Å; T304-E306 PolarHBondContact OG1-N 3.38Å; E306-L308 PolarHBondContact O-N 3.18Å; E306-A309 WeakPolarHBondContact O-CB 3.34Å; E306-A309 PolarHBondContact O-N 3.47Å; E306-E310 WeakPolarHBondContact O-CG 3.47Å; E306-E310 PolarHBondContact O-N 3.05Å
307D93.3Very high89.9Confident50 Ų5049.1 Ų49.127%0.26728%0.278SS..Hα-helixtrans-58.6-39.5176.4-58.3-39.2000111.2V302 C303 T304 E310 Q311V302-D307 HydrophobicContact CB-CB 4.38Å; V302-D307 HydrophobicContact CG1-CB 3.9Å; C303-D307 PolarHBondContact N-OD2 3.36Å; T304-D307 PolarHBondContact N-OD2 2.59Å; T304-D307 PolarHBondContact O-N 3.46Å; T304-D307 PolarHBondContact OG1-N 3.33Å; T304-D307 VanDerWaalsContact OG1-N 3.12Å; T304-D307 PolarHBondContact OG1-OD1 3.47Å; T304-D307 PolarHBondContact OG1-OD2 2.81Å; D307-E310 PolarHBondContact O-N 2.76Å; D307-Q311 WeakPolarHBondContact O-CG 3.35Å; D307-Q311 PolarHBondContact O-N 2.91Å; D307-Q311 PolarHBondContact O-NE2 3.23Å
308L93.3Very high89.6Confident1 Ų155.8 Ų55.81%0.00531%0.313CS..Hα-helixtrans-68.3-39.1177.4179.961.7000111.4L283 L286 L297 V302 T304 L305 E306 E310 Q311 L316 L330 I331 A334L283-L308 HydrophobicContact CD1-CB 4.25Å; L283-L308 HydrophobicContact CD1-CD2 3.68Å; L286-L308 HydrophobicContact CD2-CD2 3.69Å; L297-L308 HydrophobicContact CD1-CD1 4.29Å; L297-L308 HydrophobicContact CD1-CD2 4.5Å; L297-L308 HydrophobicContact CD2-CD1 4.09Å; V302-L308 HydrophobicContact CG1-CB 3.72Å; V302-L308 HydrophobicContact CG1-CD1 4.24Å; T304-L308 PolarHBondContact O-N 2.85Å; L305-L308 PolarHBondContact O-N 3.28Å; E306-L308 PolarHBondContact O-N 3.18Å; L308-E310 PolarHBondContact O-N 3.5Å; L308-Q311 PolarHBondContact O-N 3.04Å; L308-L316 HydrophobicContact CD1-CD1 3.74Å; L308-L330 HydrophobicContact CD2-CB 4.45Å; L308-I331 HydrophobicContact CD1-CG1 4.38Å; L308-A334 HydrophobicContact CB-CB 4.22Å; L308-A334 HydrophobicContact CD2-CB 3.97Å; L308-A334 HydrophobicContact CG-CB 4.02Å
309A92.9Very high89.4Confident12 Ų1256.2 Ų56.210%0.09932%0.315CS..Hα-helixtrans-65.1-28.417700000112.6L305 E306 A334 R335L305-A309 WeakPolarHBondContact O-CB 3.45Å; L305-A309 PolarHBondContact O-N 3.12Å; E306-A309 WeakPolarHBondContact O-CB 3.34Å; E306-A309 PolarHBondContact O-N 3.47Å; A309-A334 HydrophobicContact CB-CB 4.12Å; A309-R335 HydrophobicContact CB-CB 4.47Å; A309-R335 HydrophobicContact CB-CG 3.65Å; A309-R335 PolarHBondContact O-NE 2.86Å; A309-R335 PolarHBondContact O-NH2 2.97Å
310E93.1Very high89.1Confident157 Ų15760.7 Ų60.773%0.73432%0.324SS*.Hα-helixtrans-77.7-18.7175.9-69.9-171171.300113.7E306 D307 L308E306-E310 WeakPolarHBondContact O-CG 3.47Å; E306-E310 PolarHBondContact O-N 3.05Å; D307-E310 PolarHBondContact O-N 2.76Å; L308-E310 PolarHBondContact O-N 3.5Å
311Q92.4Very high88.8Confident47 Ų4758.9 Ų58.922%0.2234%0.337CS..  trans-70.2152.3179.2-57.4-52-5500113.3V302 D307 L308 L316 R335V302-Q311 HydrophobicContact CG2-CG 3.77Å; D307-Q311 WeakPolarHBondContact O-CG 3.35Å; D307-Q311 PolarHBondContact O-N 2.91Å; D307-Q311 PolarHBondContact O-NE2 3.23Å; L308-Q311 PolarHBondContact O-N 3.04Å; Q311-L316 HydrophobicContact CB-CD1 4.25Å; Q311-L316 HydrophobicContact CB-CD2 4.36Å; Q311-L316 HydrophobicContact CB-CG 4.15Å; Q311-L316 HydrophobicContact CG-CD2 4.14Å; Q311-L316 HydrophobicContact CG-CG 4.46Å; Q311-R335 PolarHBondContact O-NH2 3.05Å
312G92.2Very high88.8Confident26 Ų2657.7 Ų57.727%0.26832%0.322SS..  trans-89.6166160.500000112.5D314 D315G312-D314 VanDerWaalsContact C-N 3.29Å; G312-D314 PolarHBondContact O-N 2.67Å; G312-D315 WeakPolarHBondContact CA-OD2 3.3Å; G312-D315 PolarHBondContact N-OD2 3.02Å; G312-D315 PolarHBondContact O-N 3.28Å
313I90.6Very high88.7Confident69 Ų6961.2 Ų61.235%0.35434%0.343SS..Hα-helixtrans-61.2-43.6172.4-64174.4000109.8D315 L316 A317 D324 A327 I331I313-D315 PolarHBondContact O-N 2.79Å; I313-L316 PolarHBondContact O-N 2.71Å; I313-A317 PolarHBondContact O-N 3.2Å; I313-D324 HydrophobicContact CG2-CB 3.82Å; I313-A327 HydrophobicContact CG2-CB 4.38Å; I313-I331 HydrophobicContact CG1-CD1 4.16Å
314D89.9Confident88.6Confident137 Ų13764.9 Ų64.973%0.73336%0.362SS*.Hα-helixtrans-60.6-32-179.7-61.8-21.6000112.4G312 L316G312-D314 VanDerWaalsContact C-N 3.29Å; G312-D314 PolarHBondContact O-N 2.67Å; D314-L316 PolarHBondContact O-N 3.36Å
315D89.8Confident88.5Confident89 Ų8971.2 Ų71.248%0.47639%0.389SS..Hα-helixtrans-71.8-20.5179.2-56.5-46.1000112.4R300 G312 I313R300-D315 PolarHBondContact NH1-O 3.5Å; G312-D315 WeakPolarHBondContact CA-OD2 3.3Å; G312-D315 PolarHBondContact N-OD2 3.02Å; G312-D315 PolarHBondContact O-N 3.28Å; I313-D315 PolarHBondContact O-N 2.79Å
316L89.4Confident88.4Confident1 Ų176.6 Ų76.61%0.00541%0.412CS..Hα-helixtrans-107.4-10-178.3-59.7-173.5000113.6L297 L308 Q311 I313 D314 D318 I319 L322 A327 I331L297-L316 HydrophobicContact CD2-CD1 4.13Å; L297-L316 HydrophobicContact CD2-CD2 3.65Å; L297-L316 HydrophobicContact CD2-CG 4.5Å; L308-L316 HydrophobicContact CD1-CD1 3.74Å; Q311-L316 HydrophobicContact CB-CD1 4.25Å; Q311-L316 HydrophobicContact CB-CD2 4.36Å; Q311-L316 HydrophobicContact CB-CG 4.15Å; Q311-L316 HydrophobicContact CG-CD2 4.14Å; Q311-L316 HydrophobicContact CG-CG 4.46Å; I313-L316 PolarHBondContact O-N 2.71Å; D314-L316 PolarHBondContact O-N 3.36Å; L316-D318 PolarHBondContact O-N 3.29Å; L316-D318 VanDerWaalsContact O-N 3.15Å; L316-I319 HydrophobicContact CD2-CD1 4.02Å; L316-I319 WeakPolarHBondContact O-CB 3.36Å; L316-I319 WeakPolarHBondContact O-CG1 3.47Å; L316-I319 PolarHBondContact O-N 3.38Å; L316-L322 HydrophobicContact CB-CD2 3.79Å; L316-L322 HydrophobicContact CD1-CD2 4.19Å; L316-A327 HydrophobicContact CB-CB 4.24Å; L316-A327 HydrophobicContact CD1-CB 4.44Å; L316-I331 HydrophobicContact CD1-CD1 3.91Å; L316-I331 HydrophobicContact CD1-CG1 4.01Å
317A84.7Confident88.4Confident39 Ų3970.4 Ų70.432%0.32238%0.383SS..THydrogen-bonded Turntrans-58.7-31.5-173.500000113.6I313 I319I313-A317 PolarHBondContact O-N 3.2Å; A317-I319 PolarHBondContact O-N 2.96Å
318D82Confident88.3Confident139 Ų13968.8 Ų68.874%0.74338%0.378SS*.THydrogen-bonded Turntrans-77.60.1180-65.2-22.3000113.4R300 L316 E320R300-D318 PolarHBondContact NH2-O 3.31Å; L316-D318 PolarHBondContact O-N 3.29Å; L316-D318 VanDerWaalsContact O-N 3.15Å; D318-E320 PolarHBondContact O-N 3.31Å
319I83.5Confident88.3Confident9 Ų971.8 Ų71.85%0.04640%0.403CS..SBendtrans-82.3114.1179.5-60.7-178.3000109.2L293 K296 L297 L316 A317 G321 L322L293-I319 HydrophobicContact CD1-CG2 4.14Å; K296-I319 HydrophobicContact CB-CG2 3.85Å; K296-I319 HydrophobicContact CD-CG2 3.86Å; K296-I319 HydrophobicContact CG-CG2 4.4Å; L297-I319 HydrophobicContact CD2-CD1 3.58Å; L297-I319 HydrophobicContact CG-CD1 4.27Å; L316-I319 HydrophobicContact CD2-CD1 4.02Å; L316-I319 WeakPolarHBondContact O-CB 3.36Å; L316-I319 WeakPolarHBondContact O-CG1 3.47Å; L316-I319 PolarHBondContact O-N 3.38Å; A317-I319 PolarHBondContact O-N 2.96Å; I319-G321 PolarHBondContact O-N 2.84Å; I319-L322 HydrophobicContact CB-CB 4.02Å; I319-L322 HydrophobicContact CB-CD2 4.31Å; I319-L322 HydrophobicContact CD1-CD2 4.28Å; I319-L322 HydrophobicContact CG2-CB 4.11Å; I319-L322 WeakPolarHBondContact O-CB 3.19Å; I319-L322 PolarHBondContact O-N 2.85Å
320E78.3Confident88.3Confident165 Ų16571.9 Ų71.977%0.77140%0.402SS*.THydrogen-bonded Turntrans-59124.6176.7-168.2177.3-165.200111.5K296 D318K296-E320 PolarHBondContact NZ-O 2.84Å; D318-E320 PolarHBondContact O-N 3.31Å
321G78.3Confident88.3Confident61 Ų6164.6 Ų64.663%0.62937%0.368SS*.THydrogen-bonded Turntrans96.1-9.5-175.600000114.9I319I319-G321 PolarHBondContact O-N 2.84Å
322L85.3Confident88.3Confident9 Ų966.8 Ų66.85%0.04738%0.379CS..  trans-107.895.8-179.9-170.369.6000111.2L293 L316 I319 K326 A327 L330L293-L322 HydrophobicContact CD1-CB 4.28Å; L293-L322 HydrophobicContact CD1-CD1 4.24Å; L293-L322 HydrophobicContact CD2-CD1 4.17Å; L316-L322 HydrophobicContact CB-CD2 3.79Å; L316-L322 HydrophobicContact CD1-CD2 4.19Å; I319-L322 HydrophobicContact CB-CB 4.02Å; I319-L322 HydrophobicContact CB-CD2 4.31Å; I319-L322 HydrophobicContact CD1-CD2 4.28Å; I319-L322 HydrophobicContact CG2-CB 4.11Å; I319-L322 WeakPolarHBondContact O-CB 3.19Å; I319-L322 PolarHBondContact O-N 2.85Å; L322-K326 HydrophobicContact CD1-CB 3.9Å; L322-A327 HydrophobicContact CD1-CB 4.39Å; L322-A327 HydrophobicContact CD2-CB 3.88Å; L322-A327 HydrophobicContact CG-CB 3.92Å; L322-L330 HydrophobicContact CD1-CD1 3.76Å
323T87.7Confident88.3Confident74 Ų7467 Ų6745%0.45438%0.379SS..  trans-66.9151.7172.659.20000111.2E325 K326 A327T323-E325 PolarHBondContact O-N 2.86Å; T323-E325 VanDerWaalsContact O-N 3.08Å; T323-K326 CarbonylContact O-C 3.54Å; T323-K326 WeakPolarHBondContact O-CA 3.32Å; T323-K326 PolarHBondContact O-N 3.01Å; T323-K326 WeakPolarHBondContact OG1-CB 3.43Å; T323-K326 VanDerWaalsContact OG1-CG 3.26Å; T323-K326 WeakPolarHBondContact OG1-CG 3.49Å; T323-K326 PolarHBondContact OG1-N 3.34Å; T323-A327 PolarHBondContact O-N 2.7Å
324D88.4Confident88.4Confident97 Ų9763.8 Ų63.852%0.51936%0.362SS..Hα-helixtrans-47.7-40.4174.7-61.8-3.2000113.7I313 A327 G328I313-D324 HydrophobicContact CG2-CB 3.82Å; D324-A327 PolarHBondContact O-N 3.31Å; D324-G328 PolarHBondContact O-N 2.98Å
325E88.9Confident88.6Confident172 Ų17261.1 Ų61.180%0.80434%0.341SS*.Hα-helixtrans-65.6-46.9178.1-66.4-176.4175.300112.1T323 G328 A329T323-E325 PolarHBondContact O-N 2.86Å; T323-E325 VanDerWaalsContact O-N 3.08Å; E325-G328 PolarHBondContact O-N 3.04Å; E325-A329 WeakPolarHBondContact O-CB 3.34Å; E325-A329 PolarHBondContact O-N 2.7Å
326K90.2Very high88.7Confident124 Ų12460.3 Ų60.354%0.53934%0.337SS..Hα-helixtrans-63.6-44.3174.4-72.3-179-178.3-177.20111.5L322 T323 G328 A329 L330L322-K326 HydrophobicContact CD1-CB 3.9Å; T323-K326 CarbonylContact O-C 3.54Å; T323-K326 WeakPolarHBondContact O-CA 3.32Å; T323-K326 PolarHBondContact O-N 3.01Å; T323-K326 WeakPolarHBondContact OG1-CB 3.43Å; T323-K326 VanDerWaalsContact OG1-CG 3.26Å; T323-K326 WeakPolarHBondContact OG1-CG 3.49Å; T323-K326 PolarHBondContact OG1-N 3.34Å; K326-G328 VanDerWaalsContact C-N 3.32Å; K326-G328 PolarHBondContact O-N 2.86Å; K326-A329 PolarHBondContact O-N 3.49Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 3.14Å
327A92Very high88.7Confident0 Ų064.2 Ų64.20%036%0.357CS..Hα-helixtrans-56.5-48.7175.300000110.7I313 L316 L322 T323 D324 A329 L330 I331I313-A327 HydrophobicContact CG2-CB 4.38Å; L316-A327 HydrophobicContact CB-CB 4.24Å; L316-A327 HydrophobicContact CD1-CB 4.44Å; L322-A327 HydrophobicContact CD1-CB 4.39Å; L322-A327 HydrophobicContact CD2-CB 3.88Å; L322-A327 HydrophobicContact CG-CB 3.92Å; T323-A327 PolarHBondContact O-N 2.7Å; D324-A327 PolarHBondContact O-N 3.31Å; A327-A329 PolarHBondContact O-N 2.67Å; A327-L330 PolarHBondContact O-N 2.65Å; A327-I331 WeakPolarHBondContact O-CB 3.41Å; A327-I331 WeakPolarHBondContact O-CD1 3.22Å; A327-I331 VanDerWaalsContact O-CG1 3.23Å; A327-I331 WeakPolarHBondContact O-CG1 3.37Å; A327-I331 PolarHBondContact O-N 2.92Å
328G92.2Very high88.9Confident17 Ų1764.9 Ų64.918%0.17536%0.359CS..Hα-helixtrans-59.9-42.7176.400000113.1D324 E325 K326 M332D324-G328 PolarHBondContact O-N 2.98Å; E325-G328 PolarHBondContact O-N 3.04Å; K326-G328 VanDerWaalsContact C-N 3.32Å; K326-G328 PolarHBondContact O-N 2.86Å; G328-M332 WeakPolarHBondContact O-CB 3.49Å; G328-M332 VanDerWaalsContact O-CG 3.28Å; G328-M332 WeakPolarHBondContact O-CG 3.45Å; G328-M332 PolarHBondContact O-N 2.85Å
329A92.6Very high89.1Confident63 Ų6367.3 Ų67.352%0.52136%0.358SS..Hα-helixtrans-62.6-44.5176.900000112.2E325 K326 A327 M332 A333E325-A329 WeakPolarHBondContact O-CB 3.34Å; E325-A329 PolarHBondContact O-N 2.7Å; K326-A329 PolarHBondContact O-N 3.49Å; A327-A329 PolarHBondContact O-N 2.67Å; A329-M332 PolarHBondContact O-N 3.16Å; A329-A333 WeakPolarHBondContact O-CB 3.44Å; A329-A333 PolarHBondContact O-N 3.1Å
330L93.2Very high89Confident14 Ų1472 Ų727%0.07338%0.378CS..Hα-helixtrans-67-44.8179-69.3179.2000112.4L286 V289 L293 L308 L322 K326 A327 M332 A333 A334L286-L330 HydrophobicContact CD2-CD2 4.21Å; V289-L330 HydrophobicContact CG2-CD1 3.98Å; V289-L330 HydrophobicContact CG2-CD2 3.6Å; V289-L330 HydrophobicContact CG2-CG 4.38Å; L293-L330 HydrophobicContact CD2-CD1 3.76Å; L308-L330 HydrophobicContact CD2-CB 4.45Å; L322-L330 HydrophobicContact CD1-CD1 3.76Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 3.14Å; A327-L330 PolarHBondContact O-N 2.65Å; L330-M332 VanDerWaalsContact C-N 3.28Å; L330-M332 PolarHBondContact O-N 3.35Å; L330-A333 PolarHBondContact O-N 3.23Å; L330-A334 WeakPolarHBondContact O-CB 3.45Å; L330-A334 PolarHBondContact O-N 3.48Å
331I93.5Very high88.7Confident4 Ų466.5 Ų66.52%0.02137%0.365CS..Hα-helixtrans-58.9-43.5175.8-67.8162.7000110.2L308 I313 L316 A327 A334 R335L308-I331 HydrophobicContact CD1-CG1 4.38Å; I313-I331 HydrophobicContact CG1-CD1 4.16Å; L316-I331 HydrophobicContact CD1-CD1 3.91Å; L316-I331 HydrophobicContact CD1-CG1 4.01Å; A327-I331 WeakPolarHBondContact O-CB 3.41Å; A327-I331 WeakPolarHBondContact O-CD1 3.22Å; A327-I331 VanDerWaalsContact O-CG1 3.23Å; A327-I331 WeakPolarHBondContact O-CG1 3.37Å; A327-I331 PolarHBondContact O-N 2.92Å; I331-A334 PolarHBondContact O-N 2.97Å; I331-R335 WeakPolarHBondContact O-CB 3.49Å; I331-R335 VanDerWaalsContact O-CG 3.32Å; I331-R335 WeakPolarHBondContact O-CG 3.48Å; I331-R335 PolarHBondContact O-N 3.29Å
332M92.2Very high88.2Confident94 Ų9471.5 Ų71.546%0.46338%0.378SS..Hα-helixtrans-67-39.6177.7-74.5-59.4-56.600112.4G328 A329 L330 R335 N336G328-M332 WeakPolarHBondContact O-CB 3.49Å; G328-M332 VanDerWaalsContact O-CG 3.28Å; G328-M332 WeakPolarHBondContact O-CG 3.45Å; G328-M332 PolarHBondContact O-N 2.85Å; A329-M332 PolarHBondContact O-N 3.16Å; L330-M332 VanDerWaalsContact C-N 3.28Å; L330-M332 PolarHBondContact O-N 3.35Å; M332-R335 PolarHBondContact O-N 2.93Å; M332-N336 WeakPolarHBondContact O-CB 3.29Å; M332-N336 PolarHBondContact O-N 2.96Å; M332-N336 PolarHBondContact O-ND2 2.86Å
333A92.5Very high86.9Confident31 Ų3178.7 Ų78.726%0.25641%0.411SS..Hα-helixtrans-62-46.3174.700000111.2L286 A329 L330 N336 I337L286-A333 HydrophobicContact CD1-CB 4.04Å; A329-A333 WeakPolarHBondContact O-CB 3.44Å; A329-A333 PolarHBondContact O-N 3.1Å; L330-A333 PolarHBondContact O-N 3.23Å; A333-N336 PolarHBondContact O-N 2.92Å; A333-I337 WeakPolarHBondContact O-CG1 3.32Å; A333-I337 PolarHBondContact O-N 3.08Å
334A92.7Very high85.2Confident0 Ų083 Ų830%045%0.454CS..Hα-helixtrans-59.6-48175.700000111.9L286 L305 L308 A309 L330 I331 N336 I337 C338L286-A334 HydrophobicContact CD2-CB 4.49Å; L305-A334 HydrophobicContact CD2-CB 4.01Å; L308-A334 HydrophobicContact CB-CB 4.22Å; L308-A334 HydrophobicContact CD2-CB 3.97Å; L308-A334 HydrophobicContact CG-CB 4.02Å; A309-A334 HydrophobicContact CB-CB 4.12Å; L330-A334 WeakPolarHBondContact O-CB 3.45Å; L330-A334 PolarHBondContact O-N 3.48Å; I331-A334 PolarHBondContact O-N 2.97Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 3.06Å; A334-I337 PolarHBondContact O-N 2.84Å; A334-C338 PolarHBondContact O-N 2.91Å; A334-C338 PolarHBondContact O-SG 3.34Å
335R93.5Very high85Confident81 Ų8182.3 Ų82.331%0.30645%0.451SS..Hα-helixtrans-58.8-42.7175.3-76.3175.5-180163.18112.7A309 Q311 I331 M332 C338 W339A309-R335 HydrophobicContact CB-CB 4.47Å; A309-R335 HydrophobicContact CB-CG 3.65Å; A309-R335 PolarHBondContact O-NE 2.86Å; A309-R335 PolarHBondContact O-NH2 2.97Å; Q311-R335 PolarHBondContact O-NH2 3.05Å; I331-R335 WeakPolarHBondContact O-CB 3.49Å; I331-R335 VanDerWaalsContact O-CG 3.32Å; I331-R335 WeakPolarHBondContact O-CG 3.48Å; I331-R335 PolarHBondContact O-N 3.29Å; M332-R335 PolarHBondContact O-N 2.93Å; R335-C338 PolarHBondContact O-N 2.99Å; R335-W339 WeakPolarHBondContact O-CB 3.43Å; R335-W339 PolarHBondContact O-N 3.09Å
336N90.7Very high84.8Confident73 Ų7377.6 Ų77.639%0.3943%0.432SS..Hα-helixtrans-62.1-44.5177.9-73.4-23.7000110.9M332 A333 A334 W339 F340M332-N336 WeakPolarHBondContact O-CB 3.29Å; M332-N336 PolarHBondContact O-N 2.96Å; M332-N336 PolarHBondContact O-ND2 2.86Å; A333-N336 PolarHBondContact O-N 2.92Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 3.06Å; N336-W339 PolarHBondContact O-N 2.88Å; N336-F340 HydrophobicContact CB-CD2 4.23Å; N336-F340 WeakPolarHBondContact O-CB 3.45Å; N336-F340 VanDerWaalsContact O-CD2 3.25Å; N336-F340 WeakPolarHBondContact O-CD2 3.4Å; N336-F340 PolarHBondContact O-N 3.29Å
337I90.8Very high84.5Confident83 Ų8375 Ų7543%0.42643%0.426SS..Hα-helixtrans-64.2-42.4177.3-65.2164.1000110.7L286 L305 A333 A334 W339 G341L286-I337 HydrophobicContact CD1-CD1 3.45Å; L286-I337 VanDerWaalsContact CD1-CD1 3.45Å; L305-I337 HydrophobicContact CD1-CB 4.42Å; L305-I337 HydrophobicContact CD1-CD1 4.17Å; L305-I337 HydrophobicContact CD1-CG2 3.9Å; A333-I337 WeakPolarHBondContact O-CG1 3.32Å; A333-I337 PolarHBondContact O-N 3.08Å; A334-I337 PolarHBondContact O-N 2.84Å; I337-W339 PolarHBondContact O-N 2.74Å; I337-G341 VanDerWaalsContact O-CA 3.25Å; I337-G341 WeakPolarHBondContact O-CA 3.42Å; I337-G341 PolarHBondContact O-N 3.14Å
338C88.3Confident84Confident52 Ų5279.4 Ų79.435%0.35145%0.451SS..Hα-helixtrans-65.7-35.1178.5-62.80000113A334 R335A334-C338 PolarHBondContact O-N 2.91Å; A334-C338 PolarHBondContact O-SG 3.34Å; R335-C338 PolarHBondContact O-N 2.99Å
339W85.9Confident83.5Confident191 Ų19183.3 Ų83.372%0.72347%0.468SS*.Hα-helixtrans-87.9-33.6-177.9-70.4-3.5000114R335 N336 I337R335-W339 WeakPolarHBondContact O-CB 3.43Å; R335-W339 PolarHBondContact O-N 3.09Å; N336-W339 PolarHBondContact O-N 2.88Å; I337-W339 PolarHBondContact O-N 2.74Å
340F82.9Confident82.9Confident108 Ų10884.7 Ų84.747%0.47447%0.465SS..Hα-helixtrans-109.45.9-175.3-58.3-74.9000113.4N336 D342 E343N336-F340 HydrophobicContact CB-CD2 4.23Å; N336-F340 WeakPolarHBondContact O-CB 3.45Å; N336-F340 VanDerWaalsContact O-CD2 3.25Å; N336-F340 WeakPolarHBondContact O-CD2 3.4Å; N336-F340 PolarHBondContact O-N 3.29Å; F340-D342 PolarHBondContact O-N 2.76Å; F340-E343 WeakPolarHBondContact O-CB 3.46Å; F340-E343 PolarHBondContact O-N 3.03Å
341G70.9Confident82.2Confident48 Ų4889.7 Ų89.750%0.49549%0.493SS..THydrogen-bonded Turntrans-58.7-17.9-178.400000115.2I337 E343I337-G341 VanDerWaalsContact O-CA 3.25Å; I337-G341 WeakPolarHBondContact O-CA 3.42Å; I337-G341 PolarHBondContact O-N 3.14Å; G341-E343 VanDerWaalsContact C-N 3.33Å
342D67.3Low81.3Confident167 Ų16796.3 Ų96.389%0.89353%0.529SS*.THydrogen-bonded Turntrans-79.6-7.4174.7-72.5-23.3000114F340 A344F340-D342 PolarHBondContact O-N 2.76Å; D342-A344 PolarHBondContact O-N 3.17Å
343E59.6Low80.4Confident160 Ų16096.5 Ų96.575%0.74854%0.535SS*.  trans-90.320.3-174.1-66.9-165.7153.600115.4F340 G341F340-E343 WeakPolarHBondContact O-CB 3.46Å; F340-E343 PolarHBondContact O-N 3.03Å; G341-E343 VanDerWaalsContact C-N 3.33Å
344A50.1Low79.3Confident164 Ų164102.5 Ų102.5100%1.35556%0.56SS**  trans-89.30-178.800000115.5D342D342-A344 PolarHBondContact O-N 3.17Å

Retrieved 344 of 344 residues in 218.1 ms (Link to these results)

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