A0A077ZNN6_TRITR Loading...

Gag Pol polyprotein

AlphaFold DB , UniProt , Accession A0A077ZNN6, 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
1M51.1Low74.4Confident209 Ų20996.5 Ų96.5100%1.0350%0.495SS*.  0120.40-149.4175.7-73.600105.7
2I68Low73Confident115 Ų11595.5 Ų95.559%0.5953%0.526SS*.  trans-98.9131.1175.2-55.9177.4000105.5Y26 V28I2-Y26 HydrophobicContact CG2-CD1 3.53Å; I2-Y26 HydrophobicContact CG2-CE1 4.5Å; I2-Y26 HydrophobicContact CG2-CG 4.17Å; I2-V28 HydrophobicContact CG1-CG1 4.09Å; I2-V28 HydrophobicContact CG2-CG1 4.33Å
3T76.6Confident71.4Confident70 Ų7093.2 Ų93.243%0.42952%0.52SS..EExtended strand (participates in β ladder)trans-119.9140179.549.10000109.8A27T3-A27 PolarHBondContact N-O 3.01Å; T3-A27 PolarHBondContact O-N 3.34Å
4L77.6Confident69.6Low96 Ų9693.8 Ų93.850%0.50354%0.543SS..EExtended strand (participates in β ladder)trans-80.8134.5168.6-67.9171.6000108.9D24 A25 Y26L4-D24 HydrophobicContact CD2-CB 4.29Å; L4-D24 WeakPolarHBondContact CD2-O 3.34Å; L4-A25 CarbonylContact C-O 3.51Å; L4-A25 WeakPolarHBondContact CA-O 3.43Å; L4-Y26 HydrophobicContact CD2-CD1 3.6Å; L4-Y26 HydrophobicContact CD2-CD2 4.5Å; L4-Y26 HydrophobicContact CD2-CE1 3.5Å; L4-Y26 VanDerWaalsContact CD2-CE1 3.5Å; L4-Y26 HydrophobicContact CD2-CE2 4.37Å; L4-Y26 HydrophobicContact CD2-CG 4.14Å; L4-Y26 HydrophobicContact CG-CD1 4.5Å; L4-Y26 HydrophobicContact CG-CE1 4.36Å
5V79.6Confident68.7Low55 Ų5598.1 Ų98.133%0.33356%0.563SS.*EExtended strand (participates in β ladder)trans-141.1147.8179.9-67.30000110.2I7 A25 A27V5-I7 HydrophobicContact CG2-CG2 3.82Å; V5-A25 HydrophobicContact CG2-CB 4.29Å; V5-A25 WeakPolarHBondContact CG2-O 3.14Å; V5-A25 PolarHBondContact N-O 3.28Å; V5-A25 WeakPolarHBondContact O-CB 3.5Å; V5-A25 PolarHBondContact O-N 2.89Å; V5-A27 HydrophobicContact CG1-CB 4.26Å; V5-A27 HydrophobicContact CG2-CB 3.76Å
6E80.3Confident67.7Low155 Ų15594.3 Ų94.372%0.72455%0.553SS**EExtended strand (participates in β ladder)trans-78.4128.4165.8-58.7-177.1173.200108.8V22 D23E6-V22 WeakPolarHBondContact CA-O 3.44Å; E6-D23 HydrophobicContact CG-CB 4.45Å
7I82.2Confident67.6Low56 Ų5699.2 Ų99.229%0.28758%0.575SS.*EExtended strand (participates in β ladder)trans-128.5144.5174.464.5174.2000110.8V5 V9 N21 V22 A25 V66V5-I7 HydrophobicContact CG2-CG2 3.82Å; I7-V9 HydrophobicContact CD1-CG2 4.13Å; I7-V9 HydrophobicContact CG1-CG2 4.48Å; I7-N21 WeakPolarHBondContact O-CA 3.42Å; I7-V22 HydrophobicContact CG1-CB 3.93Å; I7-V22 HydrophobicContact CG1-CG2 4.47Å; I7-V22 PolarHBondContact N-O 3.28Å; I7-V22 PolarHBondContact O-N 3.21Å; I7-A25 HydrophobicContact CD1-CB 3.55Å; I7-A25 HydrophobicContact CG1-CB 3.63Å; I7-A25 HydrophobicContact CG2-CB 4.23Å; I7-V66 HydrophobicContact CD1-CG1 4.41Å
8A80.4Confident68.2Low54 Ų5496.9 Ų96.945%0.44656%0.557SS.*EExtended strand (participates in β ladder)trans-110.6119.1168.100000109.2E19 L20 N21A8-E19 HydrophobicContact CB-CG 4.31Å; A8-E19 WeakPolarHBondContact CB-OE1 3.46Å; A8-L20 CarbonylContact C-O 3.59Å; A8-L20 WeakPolarHBondContact CA-O 3.2Å; A8-N21 WeakPolarHBondContact CB-OD1 3.5Å
9V78.2Confident69.1Low29 Ų2995.8 Ų95.818%0.17655%0.546CS..EExtended strand (participates in β ladder)trans-101.8121.2175.4-170.50000108.2I7 E19 L20 V66 F98I7-V9 HydrophobicContact CD1-CG2 4.13Å; I7-V9 HydrophobicContact CG1-CG2 4.48Å; V9-E19 WeakPolarHBondContact O-CA 3.46Å; V9-L20 PolarHBondContact N-O 3.22Å; V9-L20 PolarHBondContact O-N 2.66Å; V9-V66 HydrophobicContact CG2-CG1 4.36Å; V9-F98 HydrophobicContact CB-CE1 4.07Å; V9-F98 HydrophobicContact CB-CZ 3.92Å; V9-F98 HydrophobicContact CG1-CD1 4.29Å; V9-F98 HydrophobicContact CG1-CE1 3.56Å; V9-F98 HydrophobicContact CG1-CZ 3.77Å
10R75.5Confident69.8Low170 Ų17091.6 Ų91.664%0.64252%0.522SS*.EExtended strand (participates in β ladder)trans-117.3140.7-177.5-62.8-179.1-178.7-165.1-5.1110.7E19R10-E19 HydrophobicContact CG-CB 4.12Å; R10-E19 HydrophobicContact CG-CG 3.92Å; R10-E19 IonicContact CZ-OE1 3.07Å; R10-E19 IonicContact CZ-OE2 2.81Å; R10-E19 IonicContact NE-OE1 2.67Å; R10-E19 PolarHBondContact NE-OE1 3.15Å; R10-E19 IonicContact NE-OE2 3.71Å; R10-E19 PolarHBondContact NE-OE2 3.03Å; R10-E19 VanDerWaalsContact NH2-CD 3.32Å; R10-E19 IonicContact NH2-OE1 3.05Å; R10-E19 PolarHBondContact NH2-OE1 2.99Å; R10-E19 IonicContact NH2-OE2 3.59Å; R10-E19 PolarHBondContact NH2-OE2 2.95Å; R10-E19 VanDerWaalsContact NH2-OE2 3.15Å
11N69.4Low70.6Confident53 Ų5392.1 Ų92.128%0.28352%0.523SS..  trans-72.4135.7170.7-170.3-8000110.4S13 F18 P97 F98N11-S13 VanDerWaalsContact OD1-CB 3.31Å; N11-S13 WeakPolarHBondContact OD1-CB 3.29Å; N11-S13 PolarHBondContact OD1-N 3.01Å; N11-F18 PolarHBondContact N-O 3.31Å; N11-P97 PolarHBondContact ND2-O 3.45Å; N11-F98 HydrophobicContact CB-CD1 4.32Å
12G57.4Low72.1Confident84 Ų8483.3 Ų83.387%0.86648%0.481SS*.  trans-87.8-0.9173.900000114.9
13S52.2Low72.6Confident65 Ų6582.8 Ų82.846%0.45548%0.479SS..SBendtrans-70.9151.5178.7-175.10000112.9N11 D15 G16N11-S13 VanDerWaalsContact OD1-CB 3.31Å; N11-S13 WeakPolarHBondContact OD1-CB 3.29Å; N11-S13 PolarHBondContact OD1-N 3.01Å; S13-D15 VanDerWaalsContact C-N 3.26Å; S13-D15 PolarHBondContact O-N 2.9Å; S13-D15 VanDerWaalsContact O-N 3.17Å; S13-G16 PolarHBondContact O-N 3.37Å; S13-G16 VanDerWaalsContact O-N 3.1Å
14A45.9Very low72.8Confident102 Ų10284.9 Ų84.984%0.84349%0.488SS*.THydrogen-bonded Turntrans-60.3-23.8-169.500000115.5G16A14-G16 PolarHBondContact O-N 2.94Å
15D56Low73Confident158 Ų15881 Ų8185%0.84547%0.47SS*.THydrogen-bonded Turntrans-83.612.6178.2-61.9-21.3000113S13S13-D15 VanDerWaalsContact C-N 3.26Å; S13-D15 PolarHBondContact O-N 2.9Å; S13-D15 VanDerWaalsContact O-N 3.17Å
16G53.4Low73Confident38 Ų3885.9 Ų85.939%0.39248%0.484SS..  trans-11.7121.1-178.200000116.1S13 A14S13-G16 PolarHBondContact O-N 3.37Å; S13-G16 VanDerWaalsContact O-N 3.1Å; A14-G16 PolarHBondContact O-N 2.94Å
17L65.1Low73Confident177 Ų17780.1 Ų80.193%0.92746%0.463SS*.  trans173.210.2143-91.3157000113.9E19L17-E19 PolarHBondContact O-N 3.25Å
18F79.1Confident72.9Confident58 Ų5880.3 Ų80.325%0.25447%0.466SS..  trans-78.3114.5169.3-167.3-98.4000111N11 L20 S74 P97 F98N11-F18 PolarHBondContact N-O 3.31Å; F18-L20 HydrophobicContact CE1-CB 4.07Å; F18-S74 WeakPolarHBondContact CZ-O 3.44Å; F18-P97 HydrophobicContact CB-CB 3.99Å; F18-P97 HydrophobicContact CD1-CB 3.42Å; F18-P97 VanDerWaalsContact CD1-CB 3.42Å; F18-P97 HydrophobicContact CD1-CG 4.48Å; F18-P97 HydrophobicContact CD2-CB 3.59Å; F18-P97 HydrophobicContact CD2-CG 4.18Å; F18-P97 HydrophobicContact CE1-CB 3.67Å; F18-P97 HydrophobicContact CE1-CG 4.33Å; F18-P97 HydrophobicContact CE2-CB 3.83Å; F18-P97 HydrophobicContact CE2-CG 4.02Å; F18-P97 HydrophobicContact CG-CB 3.36Å; F18-P97 HydrophobicContact CG-CG 4.4Å; F18-P97 HydrophobicContact CZ-CB 3.87Å; F18-P97 HydrophobicContact CZ-CG 4.1Å; F18-F98 HydrophobicContact CD1-CD1 4.41Å; F18-F98 AromaticContact CD1-CE1 3.89Å; F18-F98 HydrophobicContact CD1-CE1 3.89Å; F18-F98 HydrophobicContact CD1-CE2 4.03Å; F18-F98 AromaticContact CD1-CZ 3.69Å; F18-F98 HydrophobicContact CD1-CZ 3.69Å; F18-F98 HydrophobicContact CE1-CD2 4.27Å; F18-F98 HydrophobicContact CE1-CE1 4.22Å; F18-F98 AromaticContact CE1-CE2 3.57Å; F18-F98 HydrophobicContact CE1-CE2 3.57Å; F18-F98 AromaticContact CE1-CZ 3.54Å; F18-F98 HydrophobicContact CE1-CZ 3.54Å
19E84.7Confident72.8Confident76 Ų7683.9 Ų83.936%0.35549%0.485SS..EExtended strand (participates in β ladder)trans-122.7124.5173.4177.3166.3-155.400108.8A8 V9 R10 L17A8-E19 HydrophobicContact CB-CG 4.31Å; A8-E19 WeakPolarHBondContact CB-OE1 3.46Å; V9-E19 WeakPolarHBondContact O-CA 3.46Å; R10-E19 HydrophobicContact CG-CB 4.12Å; R10-E19 HydrophobicContact CG-CG 3.92Å; R10-E19 IonicContact CZ-OE1 3.07Å; R10-E19 IonicContact CZ-OE2 2.81Å; R10-E19 IonicContact NE-OE1 2.67Å; R10-E19 PolarHBondContact NE-OE1 3.15Å; R10-E19 IonicContact NE-OE2 3.71Å; R10-E19 PolarHBondContact NE-OE2 3.03Å; R10-E19 VanDerWaalsContact NH2-CD 3.32Å; R10-E19 IonicContact NH2-OE1 3.05Å; R10-E19 PolarHBondContact NH2-OE1 2.99Å; R10-E19 IonicContact NH2-OE2 3.59Å; R10-E19 PolarHBondContact NH2-OE2 2.95Å; R10-E19 VanDerWaalsContact NH2-OE2 3.15Å; L17-E19 PolarHBondContact O-N 3.25Å
20L82.9Confident72.9Confident12 Ų1288.1 Ų88.16%0.06350%0.501CS..EExtended strand (participates in β ladder)trans-104.8114.9172.2-177.874.9000109.1A8 V9 F18 V22 I68 N72 S74 A75 F98A8-L20 CarbonylContact C-O 3.59Å; A8-L20 WeakPolarHBondContact CA-O 3.2Å; V9-L20 PolarHBondContact N-O 3.22Å; V9-L20 PolarHBondContact O-N 2.66Å; F18-L20 HydrophobicContact CE1-CB 4.07Å; L20-V22 HydrophobicContact CD2-CG2 3.79Å; L20-V22 HydrophobicContact CG-CG2 3.87Å; L20-I68 HydrophobicContact CD2-CD1 4.3Å; L20-I68 HydrophobicContact CD2-CG2 4.14Å; L20-N72 HydrophobicContact CD2-CB 4.37Å; L20-S74 WeakPolarHBondContact CD1-OG 3.3Å; L20-A75 HydrophobicContact CD2-CB 3.88Å; L20-F98 HydrophobicContact CB-CE2 4.31Å; L20-F98 HydrophobicContact CB-CZ 3.76Å; L20-F98 HydrophobicContact CD2-CE2 4.27Å; L20-F98 HydrophobicContact CD2-CZ 4.39Å
21N87.5Confident72.7Confident103 Ų10382.3 Ų82.355%0.55148%0.482SS*.EExtended strand (participates in β ladder)trans-90.7128.7169.9-61.8-35.8000109.2I7 A8I7-N21 WeakPolarHBondContact O-CA 3.42Å; A8-N21 WeakPolarHBondContact CB-OD1 3.5Å
22V81.2Confident72.9Confident23 Ų2387.7 Ų87.714%0.13951%0.505CS..EExtended strand (participates in β ladder)trans-125.8111.2178.3-1760000108.1E6 I7 L20 A25E6-V22 WeakPolarHBondContact CA-O 3.44Å; I7-V22 HydrophobicContact CG1-CB 3.93Å; I7-V22 HydrophobicContact CG1-CG2 4.47Å; I7-V22 PolarHBondContact N-O 3.28Å; I7-V22 PolarHBondContact O-N 3.21Å; L20-V22 HydrophobicContact CD2-CG2 3.79Å; L20-V22 HydrophobicContact CG-CG2 3.87Å; V22-A25 HydrophobicContact CB-CB 4.49Å; V22-A25 HydrophobicContact CG1-CB 4.04Å
23D80.4Confident73.4Confident104 Ų10487 Ų8756%0.55648%0.481SS*.EExtended strand (participates in β ladder)trans-79.4-23.8-171.4-58.7-28.7000113.2E6E6-D23 HydrophobicContact CG-CB 4.45Å
24D79.9Confident73.9Confident114 Ų11490.6 Ų90.661%0.6150%0.496SS*.EExtended strand (participates in β ladder)trans-120.342.2-175.1-72.7-47.1000113.2L4 Y26L4-D24 HydrophobicContact CD2-CB 4.29Å; L4-D24 WeakPolarHBondContact CD2-O 3.34Å; D24-Y26 PolarHBondContact O-N 3.48Å
25A80.8Confident74.6Confident15 Ų1593.6 Ų93.612%0.12449%0.485CS..EExtended strand (participates in β ladder)trans-74.3131.8179.800000111.8L4 V5 I7 V22 A27L4-A25 CarbonylContact C-O 3.51Å; L4-A25 WeakPolarHBondContact CA-O 3.43Å; V5-A25 HydrophobicContact CG2-CB 4.29Å; V5-A25 WeakPolarHBondContact CG2-O 3.14Å; V5-A25 PolarHBondContact N-O 3.28Å; V5-A25 WeakPolarHBondContact O-CB 3.5Å; V5-A25 PolarHBondContact O-N 2.89Å; I7-A25 HydrophobicContact CD1-CB 3.55Å; I7-A25 HydrophobicContact CG1-CB 3.63Å; I7-A25 HydrophobicContact CG2-CB 4.23Å; V22-A25 HydrophobicContact CB-CB 4.49Å; V22-A25 HydrophobicContact CG1-CB 4.04Å; A25-A27 PolarHBondContact O-N 3.02Å
26Y79.8Confident74.9Confident158 Ų15891.2 Ų91.262%0.6247%0.467SS*.EExtended strand (participates in β ladder)trans-78.6110.1174.4-65.7-79.1000111.1I2 L4 D24I2-Y26 HydrophobicContact CG2-CD1 3.53Å; I2-Y26 HydrophobicContact CG2-CE1 4.5Å; I2-Y26 HydrophobicContact CG2-CG 4.17Å; L4-Y26 HydrophobicContact CD2-CD1 3.6Å; L4-Y26 HydrophobicContact CD2-CD2 4.5Å; L4-Y26 HydrophobicContact CD2-CE1 3.5Å; L4-Y26 VanDerWaalsContact CD2-CE1 3.5Å; L4-Y26 HydrophobicContact CD2-CE2 4.37Å; L4-Y26 HydrophobicContact CD2-CG 4.14Å; L4-Y26 HydrophobicContact CG-CD1 4.5Å; L4-Y26 HydrophobicContact CG-CE1 4.36Å; D24-Y26 PolarHBondContact O-N 3.48Å
27A81.2Confident75.5Confident34 Ų3496.4 Ų96.428%0.28148%0.481SS..EExtended strand (participates in β ladder)trans-88.1129.9171.600000111.3T3 V5 A25T3-A27 PolarHBondContact N-O 3.01Å; T3-A27 PolarHBondContact O-N 3.34Å; V5-A27 HydrophobicContact CG1-CB 4.26Å; V5-A27 HydrophobicContact CG2-CB 3.76Å; A25-A27 PolarHBondContact O-N 3.02Å
28V79.4Confident75.8Confident59 Ų5991.1 Ų91.136%0.35846%0.456SS..  trans-126.1145.9173.3-65.90000109.9I2 K30 L31I2-V28 HydrophobicContact CG1-CG1 4.09Å; I2-V28 HydrophobicContact CG2-CG1 4.33Å; V28-K30 PolarHBondContact O-N 3.41Å; V28-K30 VanDerWaalsContact O-N 3.1Å; V28-L31 HydrophobicContact CG2-CD2 3.75Å; V28-L31 HydrophobicContact CG2-CG 4.02Å
29P79.9Confident75.8Confident130 Ų13092.7 Ų92.784%0.84447%0.467SS*.SBendtrans-58.6-27.2-179.4-25.833.9000114.2
30K78.9Confident75.6Confident118 Ų11890.3 Ų90.351%0.51346%0.456SS..  trans-155.4126.8179.5-170.5168.8-175169.10111V28 H32V28-K30 PolarHBondContact O-N 3.41Å; V28-K30 VanDerWaalsContact O-N 3.1Å; K30-H32 PolarHBondContact O-CD2 2.96Å; K30-H32 PolarHBondContact O-N 3.08Å
31L72.6Confident75.6Confident48 Ų4895.5 Ų95.525%0.25148%0.478SS..  trans-78.6105.6169.9-75.5168.8000109.8V28 L33 T65 L67V28-L31 HydrophobicContact CG2-CD2 3.75Å; V28-L31 HydrophobicContact CG2-CG 4.02Å; L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 HydrophobicContact CB-CD1 4.49Å; L31-L33 HydrophobicContact CB-CG 4.34Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-T65 VanDerWaalsContact CD1-O 3.3Å; L31-T65 WeakPolarHBondContact CD1-O 3.36Å; L31-L67 HydrophobicContact CD2-CD1 4.04Å
32H72.7Confident75.5Confident166 Ų16693.9 Ų93.977%0.76947%0.47SS*.  trans-81.670.4175.3-69.4-84.8000110.9K30K30-H32 PolarHBondContact O-CD2 2.96Å; K30-H32 PolarHBondContact O-N 3.08Å
33L67.8Low75.6Confident69 Ų6992.8 Ų92.836%0.36146%0.463SS..  trans-88.2149.6175.5-65.8175.8000111.7L31 R35 M64 L67L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 HydrophobicContact CB-CD1 4.49Å; L31-L33 HydrophobicContact CB-CG 4.34Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-R35 PolarHBondContact O-N 3.28Å; L33-R35 VanDerWaalsContact O-N 3.07Å; L33-M64 HydrophobicContact CD1-CB 3.87Å; L33-M64 HydrophobicContact CD1-CG 4.42Å; L33-L67 HydrophobicContact CD1-CD2 4Å; L33-L67 HydrophobicContact CD1-CG 4.42Å; L33-L67 HydrophobicContact CD2-CD1 4.16Å
34N63Low76Confident141 Ų14187.9 Ų87.975%0.75444%0.437SS*.  trans-68.9104.4171.2-170.80.7000109.2K36N34-K36 PolarHBondContact O-N 3.22Å; N34-K36 VanDerWaalsContact O-N 3.1Å
35R60.8Low76.3Confident165 Ų16585.9 Ų85.962%0.62343%0.432SS*.  trans-82.780.8-177.1-61.8179.9-178.3-164.7-7.3110L33 E63L33-R35 PolarHBondContact O-N 3.28Å; L33-R35 VanDerWaalsContact O-N 3.07Å; R35-E63 IonicContact CZ-OE1 2.76Å; R35-E63 IonicContact NH2-OE1 3.21Å; R35-E63 PolarHBondContact NH2-OE1 2.89Å
36K62.6Low76.6Confident108 Ų10889.6 Ų89.647%0.4744%0.443SS..  trans-88.4112.3160.6-72.7-163.3179.3-1730108.4N34 V38 E111 H113N34-K36 PolarHBondContact O-N 3.22Å; N34-K36 VanDerWaalsContact O-N 3.1Å; K36-V38 PolarHBondContact O-N 2.85Å; K36-E111 IonicContact NZ-OE2 3.66Å; K36-E111 PolarHBondContact NZ-OE2 3.42Å; K36-H113 PolarHBondContact NZ-NE2 3.22Å
37H65.2Low77Confident147 Ų14783.4 Ų83.468%0.68142%0.419SS*.  trans-67.9120.1174-152.4-75.2000108.1
38V72Confident77.3Confident65 Ų6588.5 Ų88.539%0.39444%0.437SS..  trans-95.3122.4170179.90000106.4K36 I40 V43 F106K36-V38 PolarHBondContact O-N 2.85Å; V38-I40 PolarHBondContact O-N 2.7Å; V38-V43 HydrophobicContact CG1-CG2 3.78Å; V38-F106 HydrophobicContact CG1-CB 4.13Å; V38-F106 HydrophobicContact CG1-CG 4.36Å
39D78.4Confident77.8Confident91 Ų9188 Ų8849%0.48743%0.429SS..  trans-77102.1169.6-176.1-12000108.4K41 D42 V43D39-K41 VanDerWaalsContact C-N 3.27Å; D39-K41 PolarHBondContact O-N 3.3Å; D39-K41 WeakPolarHBondContact OD1-CB 3.41Å; D39-K41 PolarHBondContact OD1-N 3.37Å; D39-D42 HydrophobicContact CB-CB 3.82Å; D39-D42 PolarHBondContact O-N 2.66Å; D39-D42 PolarHBondContact OD1-N 3.37Å; D39-V43 WeakPolarHBondContact O-CG2 3.32Å; D39-V43 PolarHBondContact O-N 3.43Å
40I79.6Confident78.4Confident27 Ų2781.8 Ų81.814%0.13839%0.389CS..Hα-helixtrans-65.7-32.4-178.8-74.6162.7000111.2V38 D42 V43 V44 L57 P58V38-I40 PolarHBondContact O-N 2.7Å; I40-D42 VanDerWaalsContact C-N 3.35Å; I40-V43 PolarHBondContact O-N 2.62Å; I40-V44 HydrophobicContact CG2-CG2 4.25Å; I40-V44 WeakPolarHBondContact O-CG2 3.39Å; I40-V44 PolarHBondContact O-N 3.47Å; I40-L57 HydrophobicContact CG2-CB 3.89Å; I40-L57 HydrophobicContact CG2-CD1 4.02Å; I40-P58 HydrophobicContact CD1-CG 4.08Å; I40-P58 WeakPolarHBondContact CD1-O 3.37Å
41K83.3Confident78.9Confident121 Ų12182.6 Ų82.653%0.52639%0.388SS..Hα-helixtrans-65.5-42.2176.1-66.7-175175.1-175.30110.8D39 V43 V44 S45 L59D39-K41 VanDerWaalsContact C-N 3.27Å; D39-K41 PolarHBondContact O-N 3.3Å; D39-K41 WeakPolarHBondContact OD1-CB 3.41Å; D39-K41 PolarHBondContact OD1-N 3.37Å; K41-V43 VanDerWaalsContact C-N 3.33Å; K41-V43 PolarHBondContact O-N 3.29Å; K41-V44 PolarHBondContact O-N 3.11Å; K41-S45 WeakPolarHBondContact O-CB 3.4Å; K41-S45 PolarHBondContact O-N 3.1Å; K41-L59 HydrophobicContact CG-CD2 3.78Å
42D85.1Confident79.7Confident69 Ų6983.9 Ų83.937%0.36940%0.396SS..Hα-helixtrans-61.6-40.7173.7173.170000111.7D39 I40 S45 R46D39-D42 HydrophobicContact CB-CB 3.82Å; D39-D42 PolarHBondContact O-N 2.66Å; D39-D42 PolarHBondContact OD1-N 3.37Å; I40-D42 VanDerWaalsContact C-N 3.35Å; D42-S45 PolarHBondContact O-N 2.87Å; D42-S45 PolarHBondContact O-OG 3.29Å; D42-R46 WeakPolarHBondContact O-CG 3.49Å; D42-R46 PolarHBondContact O-N 3.42Å; D42-R46 PolarHBondContact O-NE 2.77Å; D42-R46 IonicContact OD1-NE 2.83Å; D42-R46 IonicContact OD2-CZ 2.85Å; D42-R46 IonicContact OD2-NE 3.56Å; D42-R46 PolarHBondContact OD2-NE 2.79Å; D42-R46 IonicContact OD2-NH2 3.83Å; D42-R46 PolarHBondContact OD2-NH2 2.9Å
43V84.7Confident80.5Confident0 Ų076 Ų760%036%0.359CS..Hα-helixtrans-61.9-52.4174.7175.60000111.2V38 D39 I40 K41 S45 R46 F47 L50 L102 F106V38-V43 HydrophobicContact CG1-CG2 3.78Å; D39-V43 WeakPolarHBondContact O-CG2 3.32Å; D39-V43 PolarHBondContact O-N 3.43Å; I40-V43 PolarHBondContact O-N 2.62Å; K41-V43 VanDerWaalsContact C-N 3.33Å; K41-V43 PolarHBondContact O-N 3.29Å; V43-S45 VanDerWaalsContact C-N 3.27Å; V43-S45 PolarHBondContact O-N 2.93Å; V43-R46 PolarHBondContact O-N 3.25Å; V43-R46 VanDerWaalsContact O-N 3.12Å; V43-F47 HydrophobicContact CG1-CD2 4.01Å; V43-F47 HydrophobicContact CG1-CE2 4.37Å; V43-F47 VanDerWaalsContact O-CD2 3.23Å; V43-F47 WeakPolarHBondContact O-CD2 3.47Å; V43-F47 PolarHBondContact O-N 3.18Å; V43-L50 HydrophobicContact CG1-CD1 4.1Å; V43-L102 HydrophobicContact CG1-CD1 4.42Å; V43-F106 HydrophobicContact CG1-CD1 3.83Å; V43-F106 HydrophobicContact CG1-CE1 4.43Å; V43-F106 HydrophobicContact CG2-CB 3.9Å; V43-F106 HydrophobicContact CG2-CD1 4.04Å; V43-F106 HydrophobicContact CG2-CG 4.28Å
44V87.4Confident81.5Confident1 Ų176.1 Ų76.11%0.00636%0.358CS..Hα-helixtrans-61.7-36.4-179.4174.30000111.5I40 K41 R46 F47 L50 R51 E54 L57I40-V44 HydrophobicContact CG2-CG2 4.25Å; I40-V44 WeakPolarHBondContact O-CG2 3.39Å; I40-V44 PolarHBondContact O-N 3.47Å; K41-V44 PolarHBondContact O-N 3.11Å; V44-R46 PolarHBondContact O-N 3.4Å; V44-F47 CarbonylContact O-C 3.56Å; V44-F47 PolarHBondContact O-N 3.24Å; V44-L50 HydrophobicContact CG1-CB 4.47Å; V44-L50 HydrophobicContact CG2-CB 4.26Å; V44-R51 HydrophobicContact CG1-CG 4Å; V44-E54 HydrophobicContact CB-CG 4.38Å; V44-E54 HydrophobicContact CG1-CB 3.97Å; V44-E54 HydrophobicContact CG1-CG 3.92Å; V44-E54 HydrophobicContact CG2-CG 4.27Å; V44-L57 HydrophobicContact CG2-CD1 3.75Å
45S86.9Confident82.6Confident72 Ų7276.1 Ų76.150%0.50335%0.353SS..Hα-helixtrans-61.5-31.1177.480.20000113.3K41 D42 V43K41-S45 WeakPolarHBondContact O-CB 3.4Å; K41-S45 PolarHBondContact O-N 3.1Å; D42-S45 PolarHBondContact O-N 2.87Å; D42-S45 PolarHBondContact O-OG 3.29Å; V43-S45 VanDerWaalsContact C-N 3.27Å; V43-S45 PolarHBondContact O-N 2.93Å
46R87Confident83.7Confident92 Ų9273.1 Ų73.135%0.34735%0.346SS..Hα-helixtrans-85.7-19.5-178-70.5179.4-72.7151.1-7113.6D42 V43 V44 F106D42-R46 WeakPolarHBondContact O-CG 3.49Å; D42-R46 PolarHBondContact O-N 3.42Å; D42-R46 PolarHBondContact O-NE 2.77Å; D42-R46 IonicContact OD1-NE 2.83Å; D42-R46 IonicContact OD2-CZ 2.85Å; D42-R46 IonicContact OD2-NE 3.56Å; D42-R46 PolarHBondContact OD2-NE 2.79Å; D42-R46 IonicContact OD2-NH2 3.83Å; D42-R46 PolarHBondContact OD2-NH2 2.9Å; V43-R46 PolarHBondContact O-N 3.25Å; V43-R46 VanDerWaalsContact O-N 3.12Å; V44-R46 PolarHBondContact O-N 3.4Å; R46-F106 VanDerWaalsContact CZ-O 3.26Å; R46-F106 PolarHBondContact NH1-O 2.82Å; R46-F106 PolarHBondContact NH2-O 3.01Å
47F88.8Confident84.6Confident29 Ų2968.4 Ų68.413%0.12733%0.326CS..  trans-129.796.5-173.1-62.4-67000110.4V43 V44 Y49 L50 P91V43-F47 HydrophobicContact CG1-CD2 4.01Å; V43-F47 HydrophobicContact CG1-CE2 4.37Å; V43-F47 VanDerWaalsContact O-CD2 3.23Å; V43-F47 WeakPolarHBondContact O-CD2 3.47Å; V43-F47 PolarHBondContact O-N 3.18Å; V44-F47 CarbonylContact O-C 3.56Å; V44-F47 PolarHBondContact O-N 3.24Å; F47-Y49 VanDerWaalsContact C-N 3.26Å; F47-Y49 HydrophobicContact CB-CD1 4.31Å; F47-Y49 HydrophobicContact CB-CE1 3.63Å; F47-Y49 AromaticContact CD1-CE1 3.87Å; F47-Y49 HydrophobicContact CD1-CE1 3.87Å; F47-Y49 WeakPolarHBondContact CD1-OH 3.39Å; F47-Y49 HydrophobicContact CG-CE1 4.11Å; F47-Y49 PolarHBondContact O-N 3.39Å; F47-L50 HydrophobicContact CB-CD1 3.79Å; F47-L50 HydrophobicContact CB-CG 4.02Å; F47-L50 HydrophobicContact CD2-CD1 4.35Å; F47-L50 HydrophobicContact CG-CD1 4.42Å; F47-L50 WeakPolarHBondContact O-CB 3.39Å; F47-L50 PolarHBondContact O-N 3.11Å; F47-P91 HydrophobicContact CD1-CG 4.34Å; F47-P91 HydrophobicContact CD2-CG 3.63Å; F47-P91 HydrophobicContact CE1-CG 4.15Å; F47-P91 HydrophobicContact CE2-CG 3.43Å; F47-P91 VanDerWaalsContact CE2-CG 3.43Å; F47-P91 HydrophobicContact CG-CG 4.1Å; F47-P91 HydrophobicContact CZ-CG 3.71Å
48E87.4Confident84.9Confident140 Ų14065.3 Ų65.365%0.65432%0.319SS*.G310 helixtrans-58.4-34-171.4-174.4166.1-15400114.1L50 R51E48-L50 PolarHBondContact O-N 3.23Å; E48-L50 VanDerWaalsContact O-N 3.13Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 WeakPolarHBondContact O-CG 3.2Å; E48-R51 PolarHBondContact O-N 3.16Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-R51 IonicContact OE1-NH1 2.72Å
49Y90.5Very high84.3Confident49 Ų4966.3 Ų66.319%0.19232%0.322CS..G310 helixtrans-70.4-1.717864.9-90.3000114.4F47 R82 D84 P91F47-Y49 VanDerWaalsContact C-N 3.26Å; F47-Y49 HydrophobicContact CB-CD1 4.31Å; F47-Y49 HydrophobicContact CB-CE1 3.63Å; F47-Y49 AromaticContact CD1-CE1 3.87Å; F47-Y49 HydrophobicContact CD1-CE1 3.87Å; F47-Y49 WeakPolarHBondContact CD1-OH 3.39Å; F47-Y49 HydrophobicContact CG-CE1 4.11Å; F47-Y49 PolarHBondContact O-N 3.39Å; Y49-R82 HydrophobicContact CD2-CB 4.19Å; Y49-D84 HydrophobicContact CD1-CB 4.02Å; Y49-D84 HydrophobicContact CE1-CB 3.62Å; Y49-P91 PolarHBondContact OH-O 3.34Å
50L91.2Very high83.4Confident0 Ų065.8 Ų65.80%033%0.33CS..G310 helixtrans-100.1-5.9173.6-60.6-179.5000113V43 V44 F47 E48 D52 I53 E54 R82 A93 L102V43-L50 HydrophobicContact CG1-CD1 4.1Å; V44-L50 HydrophobicContact CG1-CB 4.47Å; V44-L50 HydrophobicContact CG2-CB 4.26Å; F47-L50 HydrophobicContact CB-CD1 3.79Å; F47-L50 HydrophobicContact CB-CG 4.02Å; F47-L50 HydrophobicContact CD2-CD1 4.35Å; F47-L50 HydrophobicContact CG-CD1 4.42Å; F47-L50 WeakPolarHBondContact O-CB 3.39Å; F47-L50 PolarHBondContact O-N 3.11Å; E48-L50 PolarHBondContact O-N 3.23Å; E48-L50 VanDerWaalsContact O-N 3.13Å; L50-D52 VanDerWaalsContact C-N 3.32Å; L50-D52 PolarHBondContact O-N 3.5Å; L50-I53 HydrophobicContact CD2-CD1 4.16Å; L50-I53 VanDerWaalsContact O-CG1 3.25Å; L50-I53 WeakPolarHBondContact O-CG1 3.39Å; L50-I53 PolarHBondContact O-N 3.39Å; L50-E54 PolarHBondContact O-N 2.94Å; L50-R82 HydrophobicContact CD2-CB 4.17Å; L50-A93 HydrophobicContact CD2-CB 3.84Å; L50-L102 HydrophobicContact CD1-CD2 3.8Å; L50-L102 HydrophobicContact CD2-CD2 4.04Å
51R89.6Confident82.4Confident134 Ų13467.1 Ų67.151%0.50635%0.35SS..SBendtrans-67.4-31-174.4-71.8-178.1-179.4169.62.1113.4V44 E48 I53 E54V44-R51 HydrophobicContact CG1-CG 4Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 WeakPolarHBondContact O-CG 3.2Å; E48-R51 PolarHBondContact O-N 3.16Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-R51 IonicContact OE1-NH1 2.72Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.33Å; R51-E54 PolarHBondContact O-N 3.19Å
52D90.2Very high81.5Confident75 Ų7564 Ų6440%0.40135%0.353SS..THydrogen-bonded Turntrans-65.2-32.417965.5-45.4000111.9L50 H55 R82L50-D52 VanDerWaalsContact C-N 3.32Å; L50-D52 PolarHBondContact O-N 3.5Å; D52-H55 PolarHBondContact O-CE1 3.25Å; D52-H55 PolarHBondContact O-ND1 3.27Å; D52-H55 VanDerWaalsContact O-ND1 3.09Å; D52-R82 IonicContact OD1-NE 3.22Å; D52-R82 IonicContact OD2-CZ 2.74Å; D52-R82 IonicContact OD2-NE 2.74Å; D52-R82 PolarHBondContact OD2-NE 3.09Å; D52-R82 IonicContact OD2-NH2 3.19Å; D52-R82 PolarHBondContact OD2-NH2 3.4Å
53I90Very high80.6Confident1 Ų167 Ų671%0.00536%0.364CS..THydrogen-bonded Turntrans-98.24.2-179.465166.9000113.8L50 R51 H55 E56 L57 R82 A93 W100L50-I53 HydrophobicContact CD2-CD1 4.16Å; L50-I53 VanDerWaalsContact O-CG1 3.25Å; L50-I53 WeakPolarHBondContact O-CG1 3.39Å; L50-I53 PolarHBondContact O-N 3.39Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.33Å; I53-H55 PolarHBondContact O-N 2.85Å; I53-H55 VanDerWaalsContact O-N 3.15Å; I53-E56 PolarHBondContact O-N 2.7Å; I53-L57 HydrophobicContact CD1-CD1 4.32Å; I53-L57 HydrophobicContact CD1-CD2 4.44Å; I53-L57 HydrophobicContact CD1-CG 4.44Å; I53-L57 HydrophobicContact CG1-CD1 4.21Å; I53-L57 HydrophobicContact CG1-CG 4.45Å; I53-L57 WeakPolarHBondContact O-CG 3.48Å; I53-L57 PolarHBondContact O-N 3.21Å; I53-R82 HydrophobicContact CD1-CG 4.28Å; I53-A93 HydrophobicContact CD1-CB 3.5Å; I53-W100 HydrophobicContact CB-CD2 4.33Å; I53-W100 HydrophobicContact CB-CG 4.42Å; I53-W100 HydrophobicContact CD1-CB 4.42Å; I53-W100 HydrophobicContact CD1-CD2 3.77Å; I53-W100 HydrophobicContact CD1-CE3 3.79Å; I53-W100 HydrophobicContact CD1-CG 4.06Å; I53-W100 HydrophobicContact CD1-CZ3 4.35Å; I53-W100 HydrophobicContact CG2-CD2 4.09Å; I53-W100 HydrophobicContact CG2-CH2 4.2Å; I53-W100 HydrophobicContact CG2-CZ2 3.59Å
54E88Confident80.1Confident71 Ų7173.4 Ų73.433%0.33240%0.396SS..G310 helixtrans-53.9-39.6-175.6-173.5176.6172.900112.8V44 L50 R51 E56 L57 L59V44-E54 HydrophobicContact CB-CG 4.38Å; V44-E54 HydrophobicContact CG1-CB 3.97Å; V44-E54 HydrophobicContact CG1-CG 3.92Å; V44-E54 HydrophobicContact CG2-CG 4.27Å; L50-E54 PolarHBondContact O-N 2.94Å; R51-E54 PolarHBondContact O-N 3.19Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.55Å; E54-L57 PolarHBondContact O-N 3.11Å; E54-L59 HydrophobicContact CG-CD2 4.45Å
55H85.8Confident79.6Confident142 Ų14278.6 Ų78.666%0.65743%0.428SS*.G310 helixtrans-72.9-17.9-17867.8-74000114D52 I53D52-H55 PolarHBondContact O-CE1 3.25Å; D52-H55 PolarHBondContact O-ND1 3.27Å; D52-H55 VanDerWaalsContact O-ND1 3.09Å; I53-H55 PolarHBondContact O-N 2.85Å; I53-H55 VanDerWaalsContact O-N 3.15Å
56E84.9Confident79.4Confident102 Ų10278.3 Ų78.348%0.47742%0.423SS..G310 helixtrans-97.6-13.1177.4-61.7178.1-129.200112.4I53 E54 W100I53-E56 PolarHBondContact O-N 2.7Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.55Å; E56-W100 PolarHBondContact OE2-NE1 3.39Å
57L81.7Confident79.1Confident8 Ų879.4 Ų79.44%0.04244%0.435CS..SBendtrans-78144.7177.1-69.6169.6000110.9I40 V44 I53 E54 L59 W100 L102I40-L57 HydrophobicContact CG2-CB 3.89Å; I40-L57 HydrophobicContact CG2-CD1 4.02Å; V44-L57 HydrophobicContact CG2-CD1 3.75Å; I53-L57 HydrophobicContact CD1-CD1 4.32Å; I53-L57 HydrophobicContact CD1-CD2 4.44Å; I53-L57 HydrophobicContact CD1-CG 4.44Å; I53-L57 HydrophobicContact CG1-CD1 4.21Å; I53-L57 HydrophobicContact CG1-CG 4.45Å; I53-L57 WeakPolarHBondContact O-CG 3.48Å; I53-L57 PolarHBondContact O-N 3.21Å; E54-L57 PolarHBondContact O-N 3.11Å; L57-L59 PolarHBondContact O-N 3.26Å; L57-W100 HydrophobicContact CD2-CB 3.68Å; L57-L102 HydrophobicContact CD1-CD1 4.07Å; L57-L102 HydrophobicContact CD2-CD1 4.02Å; L57-L102 HydrophobicContact CD2-CG 4.01Å
58P70.1Confident78.7Confident83 Ų8380.5 Ų80.554%0.53944%0.442SS..  trans-70.689.8-179.927.7-33.6000111I40 A60I40-P58 HydrophobicContact CD1-CG 4.08Å; I40-P58 WeakPolarHBondContact CD1-O 3.37Å; P58-A60 PolarHBondContact O-N 2.9Å; P58-A60 VanDerWaalsContact O-N 3.1Å
59L60.6Low78.4Confident85 Ų8575.5 Ų75.545%0.44543%0.427SS..  trans-62.3-19.3-174.2-69.5165.1000114.8K41 E54 L57K41-L59 HydrophobicContact CG-CD2 3.78Å; E54-L59 HydrophobicContact CG-CD2 4.45Å; L57-L59 PolarHBondContact O-N 3.26Å
60A58.3Low77.8Confident80 Ų8079.8 Ų79.866%0.66145%0.452SS*.SBendtrans-112.4129179.100000110.3P58 G62P58-A60 PolarHBondContact O-N 2.9Å; P58-A60 VanDerWaalsContact O-N 3.1Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 2.62Å
61G58.4Low77.1Confident55 Ų5585.8 Ų85.857%0.56748%0.484SS*.  trans-64.490.3173.400000111
62G64.5Low76.7Confident56 Ų5681 Ų8158%0.57747%0.469SS*.  trans-69160.417300000112.2A60 M64A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 2.62Å; G62-M64 PolarHBondContact O-N 2.9Å
63E67.7Low76.3Confident131 Ų13181.8 Ų81.861%0.61248%0.478SS*.  trans-67.8122.4167.7-177.3157.2-136.900109.2R35 T65R35-E63 IonicContact CZ-OE1 2.76Å; R35-E63 IonicContact NH2-OE1 3.21Å; R35-E63 PolarHBondContact NH2-OE1 2.89Å; E63-T65 PolarHBondContact O-N 3.35Å
64M72.3Confident76.2Confident136 Ų13684.2 Ų84.267%0.6750%0.495SS*.  trans-68.9112.7174.4-63.4-65.8175.300109L33 G62L33-M64 HydrophobicContact CD1-CB 3.87Å; L33-M64 HydrophobicContact CD1-CG 4.42Å; G62-M64 PolarHBondContact O-N 2.9Å
65T77Confident76Confident110 Ų11081 Ų8168%0.67548%0.48SS*.  trans-103.8-23.9-176.6510000113.6L31 E63L31-T65 VanDerWaalsContact CD1-O 3.3Å; L31-T65 WeakPolarHBondContact CD1-O 3.36Å; E63-T65 PolarHBondContact O-N 3.35Å
66V82.4Confident75.9Confident65 Ų6577.4 Ų77.439%0.39446%0.464SS..  trans-133.4138.7-175.4-176.50000110I7 V9 I68I7-V66 HydrophobicContact CD1-CG1 4.41Å; V9-V66 HydrophobicContact CG2-CG1 4.36Å; V66-I68 HydrophobicContact CG1-CG1 3.97Å
67L82Confident75.9Confident116 Ų11678.1 Ų78.161%0.60747%0.467SS*.  trans-114.1124.1166.6-70172.6000108L31 L33L31-L67 HydrophobicContact CD2-CD1 4.04Å; L33-L67 HydrophobicContact CD1-CD2 4Å; L33-L67 HydrophobicContact CD1-CG 4.42Å; L33-L67 HydrophobicContact CD2-CD1 4.16Å
68I81Confident76.3Confident52 Ų5282.1 Ų82.127%0.26749%0.492SS..  trans-105119.1176.6-53.7177.2000107.9L20 V66 N72 A75 F98L20-I68 HydrophobicContact CD2-CD1 4.3Å; L20-I68 HydrophobicContact CD2-CG2 4.14Å; V66-I68 HydrophobicContact CG1-CG1 3.97Å; I68-N72 HydrophobicContact CG2-CB 3.76Å; I68-A75 HydrophobicContact CD1-CB 4.38Å; I68-A75 HydrophobicContact CG2-CB 3.63Å; I68-F98 HydrophobicContact CD1-CD2 4.21Å; I68-F98 HydrophobicContact CD1-CE2 3.81Å; I68-F98 HydrophobicContact CD1-CZ 4.38Å
69G79.8Confident77.3Confident34 Ų3483 Ų8335%0.35149%0.491SS..  trans-72.3160.8178.100000112.3D71 N72 H76G69-D71 WeakPolarHBondContact CA-OD1 3.43Å; G69-D71 PolarHBondContact O-N 2.93Å; G69-N72 PolarHBondContact O-N 3.02Å; G69-N72 VanDerWaalsContact O-N 3.14Å; G69-H76 PolarHBondContact O-NE2 2.83Å
70I78.6Confident78.9Confident139 Ų13983 Ų8371%0.71349%0.489SS*.THydrogen-bonded Turntrans-69.6-13.6176-16359000112.7N72 H76I70-N72 PolarHBondContact O-N 2.83Å; I70-H76 HydrophobicContact CD1-CB 4.18Å
71D76.1Confident80.5Confident126 Ų12686.4 Ų86.467%0.67449%0.486SS*.THydrogen-bonded Turntrans-67-9.3169.459.9-16.7000113.4G69 P73G69-D71 WeakPolarHBondContact CA-OD1 3.43Å; G69-D71 PolarHBondContact O-N 2.93Å; D71-P73 WeakPolarHBondContact O-CD 3.3Å
72N81.4Confident82.1Confident33 Ų3386.4 Ų86.418%0.17647%0.468CS..  trans-105.771170.3-68-93.2000110L20 I68 G69 I70 S74 A75 H76L20-N72 HydrophobicContact CD2-CB 4.37Å; I68-N72 HydrophobicContact CG2-CB 3.76Å; G69-N72 PolarHBondContact O-N 3.02Å; G69-N72 VanDerWaalsContact O-N 3.14Å; I70-N72 PolarHBondContact O-N 2.83Å; N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 3.28Å; N72-A75 HydrophobicContact CB-CB 4.41Å; N72-A75 VanDerWaalsContact O-CB 3.29Å; N72-A75 WeakPolarHBondContact O-CB 3.41Å; N72-A75 PolarHBondContact O-N 3.39Å; N72-H76 PolarHBondContact O-CD2 3.12Å; N72-H76 VanDerWaalsContact O-CD2 3.25Å
73P82.3Confident83.4Confident93 Ų9386.7 Ų86.760%0.60446%0.459SS*.G310 helixtrans-62.8-31.1-166.324.9-36.1000113.9D71 A75 H76 E77D71-P73 WeakPolarHBondContact O-CD 3.3Å; P73-A75 PolarHBondContact O-N 3.25Å; P73-H76 CarbonylContact O-C 3.27Å; P73-H76 PolarHBondContact O-N 2.63Å; P73-E77 PolarHBondContact O-N 3.36Å
74S87.3Confident84.4Confident51 Ų5181.4 Ų81.436%0.35744%0.435SS..G310 helixtrans-61.4-29.2176.952.50000112.7F18 L20 N72 H76 P97F18-S74 WeakPolarHBondContact CZ-O 3.44Å; L20-S74 WeakPolarHBondContact CD1-OG 3.3Å; N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 3.28Å; S74-H76 PolarHBondContact O-N 2.85Å; S74-P97 WeakPolarHBondContact O-CG 3.34Å
75A83.5Confident85Confident3 Ų380.4 Ų80.43%0.02544%0.439CS..G310 helixtrans-69.5-23.5175.400000113.3L20 I68 N72 P73 F98L20-A75 HydrophobicContact CD2-CB 3.88Å; I68-A75 HydrophobicContact CD1-CB 4.38Å; I68-A75 HydrophobicContact CG2-CB 3.63Å; N72-A75 HydrophobicContact CB-CB 4.41Å; N72-A75 VanDerWaalsContact O-CB 3.29Å; N72-A75 WeakPolarHBondContact O-CB 3.41Å; N72-A75 PolarHBondContact O-N 3.39Å; P73-A75 PolarHBondContact O-N 3.25Å; A75-F98 HydrophobicContact CB-CD2 4.28Å; A75-F98 HydrophobicContact CB-CE2 3.83Å
76H83.4Confident85.5Confident68 Ų6882.1 Ų82.132%0.31544%0.444SS..G310 helixtrans-111.415.3-174.7-53.3-75.3000112.3G69 I70 N72 P73 S74 V78G69-H76 PolarHBondContact O-NE2 2.83Å; I70-H76 HydrophobicContact CD1-CB 4.18Å; N72-H76 PolarHBondContact O-CD2 3.12Å; N72-H76 VanDerWaalsContact O-CD2 3.25Å; P73-H76 CarbonylContact O-C 3.27Å; P73-H76 PolarHBondContact O-N 2.63Å; S74-H76 PolarHBondContact O-N 2.85Å; H76-V78 PolarHBondContact O-N 3.04Å
77E86.4Confident85.7Confident117 Ų11786.4 Ų86.455%0.54745%0.453SS..  trans-58131.4175.6-175.6173.9-172.700110.2P73 I79 T96 P97P73-E77 PolarHBondContact O-N 3.36Å; E77-I79 PolarHBondContact O-N 3.34Å; E77-T96 WeakPolarHBondContact O-CA 3.43Å; E77-P97 HydrophobicContact CB-CG 4.22Å
78V90.2Very high85.6Confident92 Ų9286.8 Ų86.856%0.55846%0.463SS*.  trans-91100.9-178.5179.70000108.5H76 T94H76-V78 PolarHBondContact O-N 3.04Å; V78-T94 HydrophobicContact CB-CG2 4.18Å; V78-T94 HydrophobicContact CG1-CG2 3.85Å; V78-T94 HydrophobicContact CG2-CG2 3.87Å
79I91.1Very high85.7Confident101 Ų10194.4 Ų94.452%0.51849%0.488SS..  trans-81.6-43.2178-57.9173.3000110.1E77 L95 P97E77-I79 PolarHBondContact O-N 3.34Å; I79-L95 HydrophobicContact CB-CB 4.34Å; I79-L95 HydrophobicContact CB-CD2 4.16Å; I79-L95 HydrophobicContact CB-CG 4.07Å; I79-L95 WeakPolarHBondContact CB-O 3.29Å; I79-L95 HydrophobicContact CD1-CG 4.45Å; I79-L95 HydrophobicContact CG2-CD2 3.96Å; I79-L95 HydrophobicContact CG2-CG 4.42Å; I79-L95 PolarHBondContact N-O 2.86Å; I79-P97 HydrophobicContact CD1-CG 4.23Å
80Q92.7Very high86Confident86 Ų8693.5 Ų93.540%0.40248%0.476SS..EExtended strand (participates in β ladder)trans-153.1158.9-177.9-158.717918.300110.2T94 L95 W100Q80-T94 CarbonylContact O-C 3.58Å; Q80-T94 WeakPolarHBondContact O-CA 3.49Å; Q80-L95 HydrophobicContact CB-CB 3.85Å; Q80-L95 HydrophobicContact CB-CD2 4.03Å; Q80-L95 PolarHBondContact O-N 2.96Å; Q80-W100 HydrophobicContact CB-CH2 3.99Å; Q80-W100 HydrophobicContact CG-CH2 4.16Å
81Y92.3Very high86.4Confident151 Ų15186.9 Ų86.959%0.59244%0.442SS*.EExtended strand (participates in β ladder)trans-135156.5171.261-88.3000112.8T83 A93Y81-T83 HydrophobicContact CD2-CG2 3.98Å; Y81-T83 HydrophobicContact CE2-CG2 3.96Å; Y81-A93 CarbonylContact C-O 3.06Å; Y81-A93 WeakPolarHBondContact CA-O 3.5Å; Y81-A93 WeakPolarHBondContact CB-O 3.28Å
82R92Very high87Confident54 Ų5484.2 Ų84.220%0.20443%0.426CS..EExtended strand (participates in β ladder)trans-121.3124.7167.3-64.4-69.6-178.3-79.4-7.4108Y49 L50 D52 I53 H92 A93 W100Y49-R82 HydrophobicContact CD2-CB 4.19Å; L50-R82 HydrophobicContact CD2-CB 4.17Å; D52-R82 IonicContact OD1-NE 3.22Å; D52-R82 IonicContact OD2-CZ 2.74Å; D52-R82 IonicContact OD2-NE 2.74Å; D52-R82 PolarHBondContact OD2-NE 3.09Å; D52-R82 IonicContact OD2-NH2 3.19Å; D52-R82 PolarHBondContact OD2-NH2 3.4Å; I53-R82 HydrophobicContact CD1-CG 4.28Å; R82-H92 CarbonylContact O-C 3.44Å; R82-H92 VanDerWaalsContact O-CA 3.23Å; R82-H92 WeakPolarHBondContact O-CA 3.42Å; R82-H92 WeakPolarHBondContact O-CB 3.25Å; R82-A93 HydrophobicContact CB-CB 4.04Å; R82-A93 PolarHBondContact N-O 3.18Å; R82-A93 PolarHBondContact O-N 3.18Å; R82-W100 HydrophobicContact CG-CH2 4.04Å; R82-W100 HydrophobicContact CG-CZ3 3.96Å
83T91Very high87.4Confident62 Ų6282.7 Ų82.738%0.3842%0.417SS..  trans-141.5158.9179.7-171.90000109.6Y81 P85Y81-T83 HydrophobicContact CD2-CG2 3.98Å; Y81-T83 HydrophobicContact CE2-CG2 3.96Å; T83-P85 WeakPolarHBondContact O-CD 3.49Å
84D88.8Confident87.7Confident20 Ų2079.1 Ų79.111%0.10739%0.394CS..  trans-93.3107.9167.8-170.9-25.9000108.8Y49 D86 R87 S90Y49-D84 HydrophobicContact CD1-CB 4.02Å; Y49-D84 HydrophobicContact CE1-CB 3.62Å; D84-D86 PolarHBondContact O-N 3.41Å; D84-D86 PolarHBondContact OD1-N 3.14Å; D84-R87 HydrophobicContact CB-CB 4.23Å; D84-R87 PolarHBondContact O-N 2.82Å; D84-R87 PolarHBondContact OD1-N 2.78Å; D84-R87 WeakPolarHBondContact OD2-CB 3.16Å; D84-R87 WeakPolarHBondContact OD2-CD 3.49Å; D84-S90 PolarHBondContact OD2-OG 3.15Å
85P85.2Confident87.9Confident115 Ų11578.2 Ų78.275%0.74739%0.385SS*.SBendtrans-62.9-28.3-179.9-21.534.2000113T83T83-P85 WeakPolarHBondContact O-CD 3.49Å
86D88.7Confident88.1Confident147 Ų14778.6 Ų78.679%0.78639%0.387SS*.SBendtrans-86.5-20.6-175.2-62.1-39.8000112.1D84D84-D86 PolarHBondContact O-N 3.41Å; D84-D86 PolarHBondContact OD1-N 3.14Å
87R85.6Confident88.2Confident154 Ų15476 Ų7658%0.58138%0.377SS*.  trans-127.587.7-177.1-59.6-177.6-176.3158.32111.5D84 R89 S90D84-R87 HydrophobicContact CB-CB 4.23Å; D84-R87 PolarHBondContact O-N 2.82Å; D84-R87 PolarHBondContact OD1-N 2.78Å; D84-R87 WeakPolarHBondContact OD2-CB 3.16Å; D84-R87 WeakPolarHBondContact OD2-CD 3.49Å; R87-R89 PolarHBondContact O-N 3.16Å; R87-S90 WeakPolarHBondContact CB-OG 3.49Å; R87-S90 VanDerWaalsContact O-CB 3.22Å; R87-S90 WeakPolarHBondContact O-CB 3.2Å; R87-S90 PolarHBondContact O-N 3.09Å; R87-S90 PolarHBondContact O-OG 2.93Å
88P81.2Confident88.1Confident125 Ų12573 Ų7381%0.81236%0.362SS*.THydrogen-bonded Turntrans-66.7-8.9-176.726.3-35.8000114.9
89R82.6Confident87.9Confident211 Ų21169.7 Ų69.780%0.79635%0.346SS*.THydrogen-bonded Turntrans-97.3-5.3173.3-69.6-165.9-178.6-154.62.7113.6R87 P105R87-R89 PolarHBondContact O-N 3.16Å; R89-P105 WeakPolarHBondContact O-CG 3.4Å
90S86.1Confident87.8Confident16 Ų1665.7 Ų65.711%0.11232%0.324CS..SBendtrans-62.3152.4172-71.10000109.9D84 R87D84-S90 PolarHBondContact OD2-OG 3.15Å; R87-S90 WeakPolarHBondContact CB-OG 3.49Å; R87-S90 VanDerWaalsContact O-CB 3.22Å; R87-S90 WeakPolarHBondContact O-CB 3.2Å; R87-S90 PolarHBondContact O-N 3.09Å; R87-S90 PolarHBondContact O-OG 2.93Å
91P86.5Confident87.5Confident0 Ų064.4 Ų64.40%032%0.324CS..  trans-58.3155.2170.125.7-32.2000110.7F47 Y49 V103 F106F47-P91 HydrophobicContact CD1-CG 4.34Å; F47-P91 HydrophobicContact CD2-CG 3.63Å; F47-P91 HydrophobicContact CE1-CG 4.15Å; F47-P91 HydrophobicContact CE2-CG 3.43Å; F47-P91 VanDerWaalsContact CE2-CG 3.43Å; F47-P91 HydrophobicContact CG-CG 4.1Å; F47-P91 HydrophobicContact CZ-CG 3.71Å; Y49-P91 PolarHBondContact OH-O 3.34Å; P91-V103 WeakPolarHBondContact CA-O 3.42Å; P91-F106 HydrophobicContact CB-CD1 4Å; P91-F106 HydrophobicContact CB-CE1 3.51Å; P91-F106 HydrophobicContact CB-CZ 4.38Å; P91-F106 HydrophobicContact CG-CD1 4.37Å; P91-F106 HydrophobicContact CG-CE1 4.3Å
92H88.3Confident87.2Confident70 Ų7059 Ų5932%0.32431%0.305SS..EExtended strand (participates in β ladder)trans-121.5148.6168.861.2-81.6000109R82 V103R82-H92 CarbonylContact O-C 3.44Å; R82-H92 VanDerWaalsContact O-CA 3.23Å; R82-H92 WeakPolarHBondContact O-CA 3.42Å; R82-H92 WeakPolarHBondContact O-CB 3.25Å; H92-V103 VanDerWaalsContact CE1-CG1 3.46Å; H92-V103 WeakPolarHBondContact CE1-CG1 3.42Å; H92-V103 PolarHBondContact N-O 3.47Å; H92-V103 PolarHBondContact ND1-O 3.48Å; H92-V103 WeakPolarHBondContact NE2-CB 3.43Å; H92-V103 PolarHBondContact O-N 3.21Å
93A89.8Confident86.8Confident0 Ų059.7 Ų59.70%032%0.316CS..EExtended strand (participates in β ladder)trans-102.9138.217000000109.1L50 I53 Y81 R82 W100 C101 L102L50-A93 HydrophobicContact CD2-CB 3.84Å; I53-A93 HydrophobicContact CD1-CB 3.5Å; Y81-A93 CarbonylContact C-O 3.06Å; Y81-A93 WeakPolarHBondContact CA-O 3.5Å; Y81-A93 WeakPolarHBondContact CB-O 3.28Å; R82-A93 HydrophobicContact CB-CB 4.04Å; R82-A93 PolarHBondContact N-O 3.18Å; R82-A93 PolarHBondContact O-N 3.18Å; A93-W100 HydrophobicContact CB-CE3 3.75Å; A93-W100 HydrophobicContact CB-CZ3 4.15Å; A93-C101 CarbonylContact C-O 3.55Å; A93-C101 WeakPolarHBondContact CA-O 3.48Å; A93-L102 HydrophobicContact CB-CD2 3.81Å
94T90.1Very high86.3Confident18 Ų1858.5 Ų58.511%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-122.7124.5176.9-62.20000108.8V78 Q80 T96 C101V78-T94 HydrophobicContact CB-CG2 4.18Å; V78-T94 HydrophobicContact CG1-CG2 3.85Å; V78-T94 HydrophobicContact CG2-CG2 3.87Å; Q80-T94 CarbonylContact O-C 3.58Å; Q80-T94 WeakPolarHBondContact O-CA 3.49Å; T94-T96 HydrophobicContact CG2-CG2 4.26Å; T94-T96 PolarHBondContact O-N 3.17Å; T94-C101 PolarHBondContact N-O 3.46Å; T94-C101 PolarHBondContact O-N 2.95Å
95L90.3Very high85.7Confident32 Ų3261.6 Ų61.617%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-79.8116.4171.6-178.859.2000108.7I79 Q80 W100I79-L95 HydrophobicContact CB-CB 4.34Å; I79-L95 HydrophobicContact CB-CD2 4.16Å; I79-L95 HydrophobicContact CB-CG 4.07Å; I79-L95 WeakPolarHBondContact CB-O 3.29Å; I79-L95 HydrophobicContact CD1-CG 4.45Å; I79-L95 HydrophobicContact CG2-CD2 3.96Å; I79-L95 HydrophobicContact CG2-CG 4.42Å; I79-L95 PolarHBondContact N-O 2.86Å; Q80-L95 HydrophobicContact CB-CB 3.85Å; Q80-L95 HydrophobicContact CB-CD2 4.03Å; Q80-L95 PolarHBondContact O-N 2.96Å; L95-W100 HydrophobicContact CB-CD2 3.98Å; L95-W100 HydrophobicContact CB-CE3 3.86Å; L95-W100 HydrophobicContact CB-CH2 3.75Å; L95-W100 HydrophobicContact CB-CZ2 3.86Å; L95-W100 HydrophobicContact CB-CZ3 3.75Å; L95-W100 HydrophobicContact CD1-CD2 4.11Å; L95-W100 HydrophobicContact CD1-CG 4.19Å; L95-W100 HydrophobicContact CD1-CZ2 4.41Å; L95-W100 HydrophobicContact CD2-CZ2 4.08Å; L95-W100 HydrophobicContact CG-CZ2 4.34Å
96T87Confident85.1Confident12 Ų1258 Ų587%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-105.8169172.1700000109.8E77 T94 F98 G99 C101E77-T96 WeakPolarHBondContact O-CA 3.43Å; T94-T96 HydrophobicContact CG2-CG2 4.26Å; T94-T96 PolarHBondContact O-N 3.17Å; T96-F98 PolarHBondContact O-N 3.19Å; T96-F98 PolarHBondContact OG1-N 3.14Å; T96-G99 PolarHBondContact N-O 3.1Å; T96-G99 PolarHBondContact O-N 3.05Å; T96-G99 PolarHBondContact OG1-N 3.46Å; T96-G99 PolarHBondContact OG1-O 2.71Å; T96-C101 HydrophobicContact CG2-CB 4.49Å
97P86.1Confident84Confident14 Ų1454.4 Ų54.49%0.09130%0.3CS..THydrogen-bonded Turntrans-57.5-19172.8-27.437000114.7N11 F18 S74 E77 I79N11-P97 PolarHBondContact ND2-O 3.45Å; F18-P97 HydrophobicContact CB-CB 3.99Å; F18-P97 HydrophobicContact CD1-CB 3.42Å; F18-P97 VanDerWaalsContact CD1-CB 3.42Å; F18-P97 HydrophobicContact CD1-CG 4.48Å; F18-P97 HydrophobicContact CD2-CB 3.59Å; F18-P97 HydrophobicContact CD2-CG 4.18Å; F18-P97 HydrophobicContact CE1-CB 3.67Å; F18-P97 HydrophobicContact CE1-CG 4.33Å; F18-P97 HydrophobicContact CE2-CB 3.83Å; F18-P97 HydrophobicContact CE2-CG 4.02Å; F18-P97 HydrophobicContact CG-CB 3.36Å; F18-P97 HydrophobicContact CG-CG 4.4Å; F18-P97 HydrophobicContact CZ-CB 3.87Å; F18-P97 HydrophobicContact CZ-CG 4.1Å; S74-P97 WeakPolarHBondContact O-CG 3.34Å; E77-P97 HydrophobicContact CB-CG 4.22Å; I79-P97 HydrophobicContact CD1-CG 4.23Å
98F84.5Confident82.7Confident54 Ų5451.5 Ų51.524%0.23730%0.301CS..THydrogen-bonded Turntrans-95.63.7175.2-68.2-64.4000114.4V9 N11 F18 L20 I68 A75 T96V9-F98 HydrophobicContact CB-CE1 4.07Å; V9-F98 HydrophobicContact CB-CZ 3.92Å; V9-F98 HydrophobicContact CG1-CD1 4.29Å; V9-F98 HydrophobicContact CG1-CE1 3.56Å; V9-F98 HydrophobicContact CG1-CZ 3.77Å; N11-F98 HydrophobicContact CB-CD1 4.32Å; F18-F98 HydrophobicContact CD1-CD1 4.41Å; F18-F98 AromaticContact CD1-CE1 3.89Å; F18-F98 HydrophobicContact CD1-CE1 3.89Å; F18-F98 HydrophobicContact CD1-CE2 4.03Å; F18-F98 AromaticContact CD1-CZ 3.69Å; F18-F98 HydrophobicContact CD1-CZ 3.69Å; F18-F98 HydrophobicContact CE1-CD2 4.27Å; F18-F98 HydrophobicContact CE1-CE1 4.22Å; F18-F98 AromaticContact CE1-CE2 3.57Å; F18-F98 HydrophobicContact CE1-CE2 3.57Å; F18-F98 AromaticContact CE1-CZ 3.54Å; F18-F98 HydrophobicContact CE1-CZ 3.54Å; L20-F98 HydrophobicContact CB-CE2 4.31Å; L20-F98 HydrophobicContact CB-CZ 3.76Å; L20-F98 HydrophobicContact CD2-CE2 4.27Å; L20-F98 HydrophobicContact CD2-CZ 4.39Å; I68-F98 HydrophobicContact CD1-CD2 4.21Å; I68-F98 HydrophobicContact CD1-CE2 3.81Å; I68-F98 HydrophobicContact CD1-CZ 4.38Å; A75-F98 HydrophobicContact CB-CD2 4.28Å; A75-F98 HydrophobicContact CB-CE2 3.83Å; T96-F98 PolarHBondContact O-N 3.19Å; T96-F98 PolarHBondContact OG1-N 3.14Å
99G86.9Confident81.3Confident22 Ų2255.6 Ų55.623%0.22730%0.302CS..EExtended strand (participates in β ladder)trans111.3-169.9-179.500000113.7T96 C101T96-G99 PolarHBondContact N-O 3.1Å; T96-G99 PolarHBondContact O-N 3.05Å; T96-G99 PolarHBondContact OG1-N 3.46Å; T96-G99 PolarHBondContact OG1-O 2.71Å; G99-C101 PolarHBondContact O-N 3.33Å
100W88.5Confident79.8Confident17 Ų1751.5 Ų51.56%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-75.4122-175.9-71.498.5000112.6I53 E56 L57 Q80 R82 A93 L95I53-W100 HydrophobicContact CB-CD2 4.33Å; I53-W100 HydrophobicContact CB-CG 4.42Å; I53-W100 HydrophobicContact CD1-CB 4.42Å; I53-W100 HydrophobicContact CD1-CD2 3.77Å; I53-W100 HydrophobicContact CD1-CE3 3.79Å; I53-W100 HydrophobicContact CD1-CG 4.06Å; I53-W100 HydrophobicContact CD1-CZ3 4.35Å; I53-W100 HydrophobicContact CG2-CD2 4.09Å; I53-W100 HydrophobicContact CG2-CH2 4.2Å; I53-W100 HydrophobicContact CG2-CZ2 3.59Å; E56-W100 PolarHBondContact OE2-NE1 3.39Å; L57-W100 HydrophobicContact CD2-CB 3.68Å; Q80-W100 HydrophobicContact CB-CH2 3.99Å; Q80-W100 HydrophobicContact CG-CH2 4.16Å; R82-W100 HydrophobicContact CG-CH2 4.04Å; R82-W100 HydrophobicContact CG-CZ3 3.96Å; A93-W100 HydrophobicContact CB-CE3 3.75Å; A93-W100 HydrophobicContact CB-CZ3 4.15Å; L95-W100 HydrophobicContact CB-CD2 3.98Å; L95-W100 HydrophobicContact CB-CE3 3.86Å; L95-W100 HydrophobicContact CB-CH2 3.75Å; L95-W100 HydrophobicContact CB-CZ2 3.86Å; L95-W100 HydrophobicContact CB-CZ3 3.75Å; L95-W100 HydrophobicContact CD1-CD2 4.11Å; L95-W100 HydrophobicContact CD1-CG 4.19Å; L95-W100 HydrophobicContact CD1-CZ2 4.41Å; L95-W100 HydrophobicContact CD2-CZ2 4.08Å; L95-W100 HydrophobicContact CG-CZ2 4.34Å
101C86.7Confident78.2Confident58 Ų5856.5 Ų56.539%0.39232%0.321SS..EExtended strand (participates in β ladder)trans-102.9123.9171.5-63.70000110.4A93 T94 T96 G99A93-C101 CarbonylContact C-O 3.55Å; A93-C101 WeakPolarHBondContact CA-O 3.48Å; T94-C101 PolarHBondContact N-O 3.46Å; T94-C101 PolarHBondContact O-N 2.95Å; T96-C101 HydrophobicContact CG2-CB 4.49Å; G99-C101 PolarHBondContact O-N 3.33Å
102L85.1Confident76.5Confident37 Ų3762.9 Ų62.919%0.19436%0.361CS..EExtended strand (participates in β ladder)trans-86.9128.6170.6-76.1168.4000110V43 L50 L57 A93 F106V43-L102 HydrophobicContact CG1-CD1 4.42Å; L50-L102 HydrophobicContact CD1-CD2 3.8Å; L50-L102 HydrophobicContact CD2-CD2 4.04Å; L57-L102 HydrophobicContact CD1-CD1 4.07Å; L57-L102 HydrophobicContact CD2-CD1 4.02Å; L57-L102 HydrophobicContact CD2-CG 4.01Å; A93-L102 HydrophobicContact CB-CD2 3.81Å; L102-F106 VanDerWaalsContact C-CZ 3.46Å; L102-F106 HydrophobicContact CB-CE1 3.66Å; L102-F106 HydrophobicContact CB-CZ 3.57Å; L102-F106 HydrophobicContact CD2-CE1 4.42Å; L102-F106 HydrophobicContact CG-CE1 4.43Å; L102-F106 WeakPolarHBondContact O-CZ 3.32Å
103V84Confident75Confident70 Ų7064.9 Ų64.942%0.42437%0.37SS..EExtended strand (participates in β ladder)trans-128.9126.8179.2-177.90000110.4P91 H92P91-V103 WeakPolarHBondContact CA-O 3.42Å; H92-V103 VanDerWaalsContact CE1-CG1 3.46Å; H92-V103 WeakPolarHBondContact CE1-CG1 3.42Å; H92-V103 PolarHBondContact N-O 3.47Å; H92-V103 PolarHBondContact ND1-O 3.48Å; H92-V103 WeakPolarHBondContact NE2-CB 3.43Å; H92-V103 PolarHBondContact O-N 3.21Å
104G80.2Confident73.4Confident37 Ų3770.3 Ų70.338%0.38140%0.404SS..SBendtrans135.5-170.1174.800000114F106G104-F106 VanDerWaalsContact O-CD2 3.31Å; G104-F106 WeakPolarHBondContact O-CD2 3.35Å; G104-F106 WeakPolarHBondContact O-CE2 3.47Å; G104-F106 PolarHBondContact O-N 3.06Å
105P76.7Confident71.8Confident84 Ų8478.9 Ų78.955%0.54544%0.439SS..  trans-77.3109179.630.5-32.1000111.3R89R89-P105 WeakPolarHBondContact O-CG 3.4Å
106F72.3Confident70.2Confident40 Ų4082.7 Ų82.718%0.17546%0.46CS..  trans-94.5-35175.7-51.4-65.9000113.6V38 V43 R46 P91 L102 G104V38-F106 HydrophobicContact CG1-CB 4.13Å; V38-F106 HydrophobicContact CG1-CG 4.36Å; V43-F106 HydrophobicContact CG1-CD1 3.83Å; V43-F106 HydrophobicContact CG1-CE1 4.43Å; V43-F106 HydrophobicContact CG2-CB 3.9Å; V43-F106 HydrophobicContact CG2-CD1 4.04Å; V43-F106 HydrophobicContact CG2-CG 4.28Å; R46-F106 VanDerWaalsContact CZ-O 3.26Å; R46-F106 PolarHBondContact NH1-O 2.82Å; R46-F106 PolarHBondContact NH2-O 3.01Å; P91-F106 HydrophobicContact CB-CD1 4Å; P91-F106 HydrophobicContact CB-CE1 3.51Å; P91-F106 HydrophobicContact CB-CZ 4.38Å; P91-F106 HydrophobicContact CG-CD1 4.37Å; P91-F106 HydrophobicContact CG-CE1 4.3Å; L102-F106 VanDerWaalsContact C-CZ 3.46Å; L102-F106 HydrophobicContact CB-CE1 3.66Å; L102-F106 HydrophobicContact CB-CZ 3.57Å; L102-F106 HydrophobicContact CD2-CE1 4.42Å; L102-F106 HydrophobicContact CG-CE1 4.43Å; L102-F106 WeakPolarHBondContact O-CZ 3.32Å; G104-F106 VanDerWaalsContact O-CD2 3.31Å; G104-F106 WeakPolarHBondContact O-CD2 3.35Å; G104-F106 WeakPolarHBondContact O-CE2 3.47Å; G104-F106 PolarHBondContact O-N 3.06Å
107A66.3Low68.4Low72 Ų7287.9 Ų87.960%0.59550%0.495SS*.SBendtrans-75.6141.3-178.800000109.9Y109A107-Y109 PolarHBondContact O-N 3.2Å
108P57.6Low66.8Low93 Ų9395.5 Ų95.560%0.60453%0.527SS*.  trans-53.1136.4162.723.4-30.3000107.9V110P108-V110 HydrophobicContact CB-CG2 4.36Å; P108-V110 PolarHBondContact O-N 2.83Å
109Y51.5Low65.1Low211 Ų21196.7 Ų96.783%0.82755%0.554SS**THydrogen-bonded Turntrans-6123.3-166.1-169.4-98.9000115.8A107 E111A107-Y109 PolarHBondContact O-N 3.2Å; Y109-E111 PolarHBondContact O-N 2.9Å
110V51Low63.5Low124 Ų124102.6 Ų102.675%0.75258%0.579SS**THydrogen-bonded Turntrans-75.7-22-168.4-1730000112.9P108P108-V110 HydrophobicContact CB-CG2 4.36Å; P108-V110 PolarHBondContact O-N 2.83Å
111E53.7Low61.8Low121 Ų121106.7 Ų106.757%0.56561%0.606SS**  trans-105.4103.3-177.4-57.3-177.613500111.7K36 Y109 H113K36-E111 IonicContact NZ-OE2 3.66Å; K36-E111 PolarHBondContact NZ-OE2 3.42Å; Y109-E111 PolarHBondContact O-N 2.9Å; E111-H113 VanDerWaalsContact CB-CD2 3.41Å; E111-H113 WeakPolarHBondContact CB-CD2 3.46Å; E111-H113 WeakPolarHBondContact CB-NE2 3.37Å; E111-H113 PolarHBondContact O-N 3.03Å; E111-H113 IonicContact OE1-NE2 3.09Å; E111-H113 IonicContact OE2-CD2 2.62Å; E111-H113 IonicContact OE2-CE1 2.7Å; E111-H113 IonicContact OE2-NE2 2.66Å; E111-H113 PolarHBondContact OE2-NE2 3.44Å
112T50.6Low60.3Low135 Ų135110.3 Ų110.383%0.82862%0.621SS**  trans-67.274.3162.851.10000109.3T114T112-T114 PolarHBondContact O-N 3.05Å
113H55.8Low58.8Low111 Ų111110.7 Ų110.751%0.51463%0.63SS.*  trans-71.3129.9168.9-70.6-61.5000109K36 E111 K115K36-H113 PolarHBondContact NZ-NE2 3.22Å; E111-H113 VanDerWaalsContact CB-CD2 3.41Å; E111-H113 WeakPolarHBondContact CB-CD2 3.46Å; E111-H113 WeakPolarHBondContact CB-NE2 3.37Å; E111-H113 PolarHBondContact O-N 3.03Å; E111-H113 IonicContact OE1-NE2 3.09Å; E111-H113 IonicContact OE2-CD2 2.62Å; E111-H113 IonicContact OE2-CE1 2.7Å; E111-H113 IonicContact OE2-NE2 2.66Å; E111-H113 PolarHBondContact OE2-NE2 3.44Å; H113-K115 PolarHBondContact O-N 3.23Å
114T55.8Low57.6Low115 Ų115115.4 Ų115.471%0.70665%0.653SS**  trans-58.3122.316344.70000108.1T112 N116T112-T114 PolarHBondContact O-N 3.05Å; T114-N116 PolarHBondContact O-N 3.29Å; T114-N116 VanDerWaalsContact O-N 3.14Å
115K56.5Low56.7Low197 Ų197117.9 Ų117.986%0.85766%0.657SS**  trans-77.298.7175.3-69.4-177.3179.8-175.80108.1H113 C117H113-K115 PolarHBondContact O-N 3.23Å; K115-C117 PolarHBondContact O-N 3.28Å
116N58.2Low56.1Low113 Ų113119.8 Ų119.860%0.60467%0.669SS**  trans-87.2101.9171.4-64.7-21.1000108.5T114 F118T114-N116 PolarHBondContact O-N 3.29Å; T114-N116 VanDerWaalsContact O-N 3.14Å; N116-F118 HydrophobicContact CB-CD2 4.31Å; N116-F118 HydrophobicContact CB-CE2 3.59Å; N116-F118 HydrophobicContact CB-CZ 4Å
117C48.3Very low56Low121 Ų121124.8 Ų124.882%0.81870%0.698SS**  trans-89115.2169.6-660000108.4K115K115-C117 PolarHBondContact O-N 3.28Å
118F53.4Low55.8Low174 Ų174126.6 Ų126.676%0.76369%0.689SS**  trans-102.5109.5169.9-61.8-80.3000108.1N116N116-F118 HydrophobicContact CB-CD2 4.31Å; N116-F118 HydrophobicContact CB-CE2 3.59Å; N116-F118 HydrophobicContact CB-CZ 4Å
119G48.8Very low56.3Low78 Ų78124 Ų12480%0.80467%0.672SS**  trans-88112.8169.200000109.2
120I52.1Low57.4Low147 Ų147116.3 Ų116.375%0.75465%0.65SS**  trans-111108168.8-59175.8000106.8
121T54.3Low58.5Low102 Ų102116.7 Ų116.763%0.62665%0.647SS**  trans-91.8107175.2-51.80000109.4A123 R128T121-A123 HydrophobicContact CG2-CB 4.12Å; T121-A123 PolarHBondContact O-N 3.2Å; T121-R128 PolarHBondContact O-NH1 3.29Å
122L54.1Low59.5Low134 Ų134114.6 Ų114.670%0.70265%0.645SS**  trans-8881.1164.8-69.3167.3000108.1
123A54.9Low60.9Low46 Ų46112.4 Ų112.438%0.3863%0.626SS.*  trans-91.6114.3169.300000108.7T121 N125T121-A123 HydrophobicContact CG2-CB 4.12Å; T121-A123 PolarHBondContact O-N 3.2Å; A123-N125 PolarHBondContact O-N 2.88Å
124N57.7Low61.9Low169 Ų169110 Ų11090%0.90462%0.616SS**  trans-74.756.6167.7-75.8-9.9000110.1
125N60.8Low62.8Low89 Ų89108.7 Ų108.748%0.47660%0.604SS.*  trans-92.1123.9175-167.4-13000109A123 D127 R128A123-N125 PolarHBondContact O-N 2.88Å; N125-D127 PolarHBondContact O-N 3.03Å; N125-D127 VanDerWaalsContact O-N 3.17Å; N125-D127 PolarHBondContact OD1-N 3.22Å; N125-R128 WeakPolarHBondContact O-CB 3.49Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 VanDerWaalsContact O-N 3.16Å
126P65.8Low63.8Low124 Ų124105.2 Ų105.281%0.80559%0.59SS**THydrogen-bonded Turntrans-56.5-24.8174.121.3-33.7000113.8R128P126-R128 VanDerWaalsContact C-N 3.3Å; P126-R128 PolarHBondContact O-N 3.26Å
127D69.3Low64.5Low145 Ų145107.5 Ų107.578%0.77559%0.59SS**THydrogen-bonded Turntrans-8610.5179.6-66.3-30.7000114.2N125N125-D127 PolarHBondContact O-N 3.03Å; N125-D127 VanDerWaalsContact O-N 3.17Å; N125-D127 PolarHBondContact OD1-N 3.22Å
128R62.1Low65.6Low109 Ų109106.6 Ų106.641%0.41158%0.577SS.*SBendtrans-81.6142.3-176.1-166.4-178.9-177.6159.51.8111.9T121 N125 P126 S130T121-R128 PolarHBondContact O-NH1 3.29Å; N125-R128 WeakPolarHBondContact O-CB 3.49Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 VanDerWaalsContact O-N 3.16Å; P126-R128 VanDerWaalsContact C-N 3.3Å; P126-R128 PolarHBondContact O-N 3.26Å; R128-S130 PolarHBondContact O-N 3.49Å
129P67.6Low66.3Low38 Ų38103.3 Ų103.325%0.24756%0.562CS.*PPolyproline II helixtrans-50.4135.2166.517.9-33.2000112.3E133 L134P129-E133 WeakPolarHBondContact CA-OE2 3.32Å; P129-E133 HydrophobicContact CB-CB 3.42Å; P129-E133 VanDerWaalsContact CB-CB 3.42Å; P129-E133 HydrophobicContact CB-CG 4.17Å; P129-E133 WeakPolarHBondContact CB-OE2 3.17Å; P129-L134 HydrophobicContact CG-CD2 4.09Å; P129-L134 HydrophobicContact CG-CG 4.44Å
130S75.3Confident67.3Low51 Ų51104.6 Ų104.636%0.35755%0.551SS.*PPolyproline II helixtrans-55162.5173.461.20000111.8R128 S132 E133 L134R128-S130 PolarHBondContact O-N 3.49Å; S130-S132 PolarHBondContact O-N 3.03Å; S130-S132 VanDerWaalsContact O-N 3.16Å; S130-E133 WeakPolarHBondContact CB-OE1 3.24Å; S130-E133 PolarHBondContact N-OE1 3.49Å; S130-E133 PolarHBondContact O-N 3.47Å; S130-E133 PolarHBondContact OG-N 3.07Å; S130-E133 PolarHBondContact OG-OE1 3.27Å; S130-L134 PolarHBondContact O-N 3.21Å
131L74Confident68Low131 Ų131102.6 Ų102.669%0.68655%0.545SS*.Hα-helixtrans-52.6-36.5170.9176.962.2000111L134 M135L131-L134 PolarHBondContact O-N 3.07Å; L131-M135 HydrophobicContact CD1-CG 4.4Å; L131-M135 HydrophobicContact CG-SD 4.49Å; L131-M135 WeakPolarHBondContact O-CB 3.39Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.01Å
132S75.3Confident68.5Low77 Ų77102.8 Ų102.854%0.53854%0.542SS..Hα-helixtrans-59.3-49.6175-51.60000111.8S130 L134 M135 E136S130-S132 PolarHBondContact O-N 3.03Å; S130-S132 VanDerWaalsContact O-N 3.16Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact O-N 3.36Å; S132-M135 WeakPolarHBondContact O-CB 3.37Å; S132-M135 PolarHBondContact O-N 2.87Å; S132-M135 VanDerWaalsContact O-N 3.15Å; S132-E136 WeakPolarHBondContact O-CG 3.07Å; S132-E136 PolarHBondContact O-N 3.34Å
133E79.1Confident68.8Low89 Ų89100.4 Ų100.442%0.41653%0.529SS..Hα-helixtrans-64-36.7176.6-75.2160.9-105.100112.5P129 S130 M135 E136 R137P129-E133 WeakPolarHBondContact CA-OE2 3.32Å; P129-E133 HydrophobicContact CB-CB 3.42Å; P129-E133 VanDerWaalsContact CB-CB 3.42Å; P129-E133 HydrophobicContact CB-CG 4.17Å; P129-E133 WeakPolarHBondContact CB-OE2 3.17Å; S130-E133 WeakPolarHBondContact CB-OE1 3.24Å; S130-E133 PolarHBondContact N-OE1 3.49Å; S130-E133 PolarHBondContact O-N 3.47Å; S130-E133 PolarHBondContact OG-N 3.07Å; S130-E133 PolarHBondContact OG-OE1 3.27Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-E136 PolarHBondContact O-N 3.37Å; E133-R137 WeakPolarHBondContact O-CB 3.48Å; E133-R137 VanDerWaalsContact O-CG 3.29Å; E133-R137 WeakPolarHBondContact O-CG 3.38Å; E133-R137 PolarHBondContact O-N 2.99Å
134L76.7Confident68.8Low60 Ų60106.7 Ų106.731%0.31455%0.549SS..Hα-helixtrans-66.4-37.5173.8-69.6174.6000111.8P129 S130 L131 S132 L138P129-L134 HydrophobicContact CG-CD2 4.09Å; P129-L134 HydrophobicContact CG-CG 4.44Å; S130-L134 PolarHBondContact O-N 3.21Å; L131-L134 PolarHBondContact O-N 3.07Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact O-N 3.36Å; L134-L138 WeakPolarHBondContact O-CB 3.32Å; L134-L138 PolarHBondContact O-N 2.91Å
135M75Confident68.8Low89 Ų89100.2 Ų100.244%0.43852%0.522SS..Hα-helixtrans-67.1-43.8173.9-76.8-171.763.300111.4L131 S132 E133 R137 L138 F139L131-M135 HydrophobicContact CD1-CG 4.4Å; L131-M135 HydrophobicContact CG-SD 4.49Å; L131-M135 WeakPolarHBondContact O-CB 3.39Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.01Å; S132-M135 WeakPolarHBondContact O-CB 3.37Å; S132-M135 PolarHBondContact O-N 2.87Å; S132-M135 VanDerWaalsContact O-N 3.15Å; E133-M135 VanDerWaalsContact C-N 3.34Å; M135-R137 VanDerWaalsContact C-N 3.34Å; M135-R137 PolarHBondContact O-N 2.9Å; M135-L138 WeakPolarHBondContact O-CB 3.33Å; M135-L138 PolarHBondContact O-N 3.21Å; M135-L138 VanDerWaalsContact O-N 3.17Å; M135-F139 HydrophobicContact CB-CE2 4.3Å; M135-F139 HydrophobicContact CE-CE2 3.74Å; M135-F139 HydrophobicContact CE-CZ 4.16Å; M135-F139 WeakPolarHBondContact O-CD2 3.38Å; M135-F139 PolarHBondContact O-N 3.39Å
136E76.6Confident68.5Low123 Ų12397 Ų9758%0.57550%0.504SS*.Hα-helixtrans-56.6-49.1173.3-74.9176.8-17600110.7S132 E133 L138 F139 D140S132-E136 WeakPolarHBondContact O-CG 3.07Å; S132-E136 PolarHBondContact O-N 3.34Å; E133-E136 PolarHBondContact O-N 3.37Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 2.72Å; E136-F139 PolarHBondContact O-N 2.88Å; E136-F139 VanDerWaalsContact O-N 3.14Å; E136-D140 WeakPolarHBondContact O-CB 3.45Å; E136-D140 VanDerWaalsContact O-CG 3.3Å; E136-D140 PolarHBondContact O-N 2.73Å
137R72.6Confident68Low162 Ų16298.2 Ų98.261%0.61150%0.499SS*.Hα-helixtrans-61.2-36.5176.3-72.5-179.374.6-178.15.1113.2E133 M135 V141E133-R137 WeakPolarHBondContact O-CB 3.48Å; E133-R137 VanDerWaalsContact O-CG 3.29Å; E133-R137 WeakPolarHBondContact O-CG 3.38Å; E133-R137 PolarHBondContact O-N 2.99Å; M135-R137 VanDerWaalsContact C-N 3.34Å; M135-R137 PolarHBondContact O-N 2.9Å; R137-V141 VanDerWaalsContact O-CG2 3.29Å; R137-V141 WeakPolarHBondContact O-CG2 3.24Å; R137-V141 PolarHBondContact O-N 3.18Å; R137-V141 VanDerWaalsContact O-N 3.14Å
138L72Confident67.5Low101 Ų10195.9 Ų95.953%0.52949%0.492SS..Hα-helixtrans-63.9-46.1175.5177.765.5000110.6L134 M135 E136 V141 D142L134-L138 WeakPolarHBondContact O-CB 3.32Å; L134-L138 PolarHBondContact O-N 2.91Å; M135-L138 WeakPolarHBondContact O-CB 3.33Å; M135-L138 PolarHBondContact O-N 3.21Å; M135-L138 VanDerWaalsContact O-N 3.17Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 2.72Å; L138-V141 PolarHBondContact O-N 3.34Å; L138-D142 PolarHBondContact O-N 3.35Å
139F69.5Low67.2Low105 Ų10595.6 Ų95.646%0.46149%0.494SS..Hα-helixtrans-69-36178-67.5-56.7000112.4M135 E136 V141 D142 I143M135-F139 HydrophobicContact CB-CE2 4.3Å; M135-F139 HydrophobicContact CE-CE2 3.74Å; M135-F139 HydrophobicContact CE-CZ 4.16Å; M135-F139 WeakPolarHBondContact O-CD2 3.38Å; M135-F139 PolarHBondContact O-N 3.39Å; E136-F139 PolarHBondContact O-N 2.88Å; E136-F139 VanDerWaalsContact O-N 3.14Å; F139-V141 VanDerWaalsContact C-N 3.26Å; F139-V141 PolarHBondContact O-N 3.13Å; F139-D142 PolarHBondContact O-N 2.99Å; F139-I143 WeakPolarHBondContact O-CB 3.26Å; F139-I143 WeakPolarHBondContact O-CD1 3.5Å; F139-I143 WeakPolarHBondContact O-CG1 3.45Å; F139-I143 PolarHBondContact O-N 3.31Å
140D69.5Low66.8Low106 Ų106100.1 Ų100.157%0.56751%0.512SS*.Hα-helixtrans-58.9-39.3173-75.2-19.4000111.7E136 I143 F144E136-D140 WeakPolarHBondContact O-CB 3.45Å; E136-D140 VanDerWaalsContact O-CG 3.3Å; E136-D140 PolarHBondContact O-N 2.73Å; D140-I143 CarbonylContact O-C 3.53Å; D140-I143 PolarHBondContact O-N 3.15Å; D140-F144 PolarHBondContact O-N 2.82Å
141V66.3Low65.9Low105 Ų105102.7 Ų102.764%0.63652%0.521SS*.Hα-helixtrans-70.2-40.6175.8174.50000111.4R137 L138 F139 I143 F144R137-V141 VanDerWaalsContact O-CG2 3.29Å; R137-V141 WeakPolarHBondContact O-CG2 3.24Å; R137-V141 PolarHBondContact O-N 3.18Å; R137-V141 VanDerWaalsContact O-N 3.14Å; L138-V141 PolarHBondContact O-N 3.34Å; F139-V141 VanDerWaalsContact C-N 3.26Å; F139-V141 PolarHBondContact O-N 3.13Å; V141-I143 PolarHBondContact O-N 3.05Å; V141-F144 WeakPolarHBondContact O-CB 3.19Å; V141-F144 PolarHBondContact O-N 3.05Å
142D63.6Low65.2Low105 Ų105103.4 Ų103.456%0.56153%0.525SS*.Hα-helixtrans-63.5-29.2174.4-85.4-12.2000112.1L138 F139 F144L138-D142 PolarHBondContact O-N 3.35Å; F139-D142 PolarHBondContact O-N 2.99Å; D142-F144 VanDerWaalsContact C-N 3.35Å
143I60.9Low64.9Low84 Ų84103.8 Ų103.843%0.43152%0.524SS..THydrogen-bonded Turntrans-85.5-7.4176.4-61.3162.4000111.5F139 D140 V141 G145 I146F139-I143 WeakPolarHBondContact O-CB 3.26Å; F139-I143 WeakPolarHBondContact O-CD1 3.5Å; F139-I143 WeakPolarHBondContact O-CG1 3.45Å; F139-I143 PolarHBondContact O-N 3.31Å; D140-I143 CarbonylContact O-C 3.53Å; D140-I143 PolarHBondContact O-N 3.15Å; V141-I143 PolarHBondContact O-N 3.05Å; I143-G145 PolarHBondContact O-N 2.74Å; I143-I146 HydrophobicContact CG2-CB 4.19Å; I143-I146 WeakPolarHBondContact CG2-O 3.3Å; I143-I146 WeakPolarHBondContact O-CA 3.41Å; I143-I146 WeakPolarHBondContact O-CB 3.21Å; I143-I146 PolarHBondContact O-N 2.95Å
144F55.4Low64.5Low178 Ų178100 Ų10078%0.78151%0.508SS*.THydrogen-bonded Turntrans-56.9115.2-176.2-172.9-95.7000112D140 V141 D142D140-F144 PolarHBondContact O-N 2.82Å; V141-F144 WeakPolarHBondContact O-CB 3.19Å; V141-F144 PolarHBondContact O-N 3.05Å; D142-F144 VanDerWaalsContact C-N 3.35Å
145G56.9Low64.9Low34 Ų3499.5 Ų99.535%0.35151%0.51SS..THydrogen-bonded Turntrans92.8-13.9-175.700000115I143 Q147 Q290I143-G145 PolarHBondContact O-N 2.74Å; G145-Q147 PolarHBondContact O-N 3.47Å; G145-Q290 PolarHBondContact O-OE1 3.25Å
146I55.7Low65.5Low20 Ų20100 Ų10010%0.10352%0.52CS..  trans-85.694.9169.9-56165.5000107.7I143 P148 L289 Y295I143-I146 HydrophobicContact CG2-CB 4.19Å; I143-I146 WeakPolarHBondContact CG2-O 3.3Å; I143-I146 WeakPolarHBondContact O-CA 3.41Å; I143-I146 WeakPolarHBondContact O-CB 3.21Å; I143-I146 PolarHBondContact O-N 2.95Å; I146-P148 WeakPolarHBondContact O-CD 3.26Å; I146-L289 HydrophobicContact CD1-CD2 4.25Å; I146-Y295 WeakPolarHBondContact CD1-OH 3.25Å
147Q55.8Low66.1Low150 Ų15098.4 Ų98.470%0.70152%0.515SS*.  trans-68.5126.4160.6-67.1-64.1-18.700107.5G145 K149G145-Q147 PolarHBondContact O-N 3.47Å; Q147-K149 PolarHBondContact O-N 3.13Å
148P57.2Low66.8Low96 Ų9692.7 Ų92.762%0.62350%0.495SS*.  trans-51.2129.6170.2-21.430.7000108.1I146 E150I146-P148 WeakPolarHBondContact O-CD 3.26Å; P148-E150 PolarHBondContact O-N 2.93Å
149K55.7Low67.5Low103 Ų10391.1 Ų91.145%0.44849%0.485SS..  trans-56.9115.9171.3-175.7179.7-178.4-170.70106.7Q147 I151 T153 E158Q147-K149 PolarHBondContact O-N 3.13Å; K149-I151 PolarHBondContact O-N 2.84Å; K149-T153 WeakPolarHBondContact CE-O 3.45Å; K149-T153 VanDerWaalsContact CG-OG1 3.22Å; K149-T153 WeakPolarHBondContact CG-OG1 3.44Å; K149-E158 IonicContact NZ-OE1 2.66Å; K149-E158 PolarHBondContact NZ-OE1 3.18Å; K149-E158 IonicContact NZ-OE2 3.83Å; K149-E158 PolarHBondContact NZ-OE2 3.31Å
150E59Low68.6Low133 Ų13387.9 Ų87.962%0.62147%0.47SS*.  trans-54.4131.8178.7-70.1-173.1-17900108.7P148 N152 T153 A154P148-E150 PolarHBondContact O-N 2.93Å; E150-N152 PolarHBondContact O-N 3.43Å; E150-T153 HydrophobicContact CB-CG2 4.35Å; E150-T153 WeakPolarHBondContact O-CA 3.44Å; E150-T153 PolarHBondContact O-N 3.36Å; E150-T153 PolarHBondContact O-OG1 3.5Å; E150-A154 PolarHBondContact O-N 3.13Å
151I57.7Low69.5Low106 Ų10682.9 Ų82.954%0.54444%0.443SS..G310 helixtrans-52.5-32.3-179-60.6172.4000110.7K149 T153 A154 L162K149-I151 PolarHBondContact O-N 2.84Å; I151-T153 PolarHBondContact O-N 3.28Å; I151-A154 WeakPolarHBondContact O-CB 3.36Å; I151-A154 PolarHBondContact O-N 3.13Å; I151-L162 HydrophobicContact CG1-CD1 4.21Å; I151-L162 HydrophobicContact CG2-CD1 4.41Å
152N59.3Low70.6Confident145 Ų14579.1 Ų79.178%0.77542%0.42SS*.G310 helixtrans-64-26177.3-62.7-27.4000113.7E150E150-N152 PolarHBondContact O-N 3.43Å
153T68.1Low71.8Confident85 Ų8580.5 Ų80.552%0.52142%0.417SS..G310 helixtrans-91.9-1.2175.267.50000113K149 E150 I151K149-T153 WeakPolarHBondContact CE-O 3.45Å; K149-T153 VanDerWaalsContact CG-OG1 3.22Å; K149-T153 WeakPolarHBondContact CG-OG1 3.44Å; E150-T153 HydrophobicContact CB-CG2 4.35Å; E150-T153 WeakPolarHBondContact O-CA 3.44Å; E150-T153 PolarHBondContact O-N 3.36Å; E150-T153 PolarHBondContact O-OG1 3.5Å; I151-T153 PolarHBondContact O-N 3.28Å
154A71.7Confident73.3Confident9 Ų977.6 Ų77.67%0.07440%0.402CS..SBendtrans-76.5143179.700000111.2E150 I151 E158 Q159E150-A154 PolarHBondContact O-N 3.13Å; I151-A154 WeakPolarHBondContact O-CB 3.36Å; I151-A154 PolarHBondContact O-N 3.13Å; A154-E158 VanDerWaalsContact CA-OE2 3.24Å; A154-E158 WeakPolarHBondContact CA-OE2 3.39Å; A154-E158 HydrophobicContact CB-CB 3.83Å; A154-Q159 HydrophobicContact CB-CG 3.95Å; A154-Q159 PolarHBondContact O-NE2 3.42Å
155S84.3Confident75Confident50 Ų5070.8 Ų70.835%0.3537%0.374SS..  trans-62.9158.8173.470.70000111.1D157 E158 Q159S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.15Å; S155-E158 PolarHBondContact N-OE2 2.96Å; S155-E158 WeakPolarHBondContact O-CB 3.3Å; S155-E158 PolarHBondContact O-N 3.44Å; S155-E158 VanDerWaalsContact OG-CG 3.26Å; S155-E158 WeakPolarHBondContact OG-CG 3.46Å; S155-E158 PolarHBondContact OG-N 3.21Å; S155-E158 PolarHBondContact OG-OE2 3.18Å; S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3.4Å
156P88.1Confident76.6Confident100 Ų10075.3 Ų75.365%0.64939%0.39SS*.Hα-helixtrans-53.6-37177.3-27.435.5000113.5R160P156-R160 WeakPolarHBondContact O-CB 3.16Å; P156-R160 PolarHBondContact O-N 3.23Å
157D89.1Confident78.3Confident89 Ų8979.8 Ų79.848%0.47642%0.418SS..Hα-helixtrans-64.8-44.3176.1-81.711.3000111.9S155 R160 A161 L283S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.15Å; D157-R160 PolarHBondContact O-N 3.28Å; D157-A161 WeakPolarHBondContact O-CB 3.41Å; D157-A161 PolarHBondContact O-N 3Å; D157-L283 HydrophobicContact CB-CD2 3.66Å
158E86.9Confident80.1Confident43 Ų4374.9 Ų74.920%0.20140%0.398CS..Hα-helixtrans-65.9-44177.4-72.8175.1148.600111.5K149 A154 S155 R160 A161 L162 L286K149-E158 IonicContact NZ-OE1 2.66Å; K149-E158 PolarHBondContact NZ-OE1 3.18Å; K149-E158 IonicContact NZ-OE2 3.83Å; K149-E158 PolarHBondContact NZ-OE2 3.31Å; A154-E158 VanDerWaalsContact CA-OE2 3.24Å; A154-E158 WeakPolarHBondContact CA-OE2 3.39Å; A154-E158 HydrophobicContact CB-CB 3.83Å; S155-E158 PolarHBondContact N-OE2 2.96Å; S155-E158 WeakPolarHBondContact O-CB 3.3Å; S155-E158 PolarHBondContact O-N 3.44Å; S155-E158 VanDerWaalsContact OG-CG 3.26Å; S155-E158 WeakPolarHBondContact OG-CG 3.46Å; S155-E158 PolarHBondContact OG-N 3.21Å; S155-E158 PolarHBondContact OG-OE2 3.18Å; E158-R160 VanDerWaalsContact C-N 3.26Å; E158-R160 PolarHBondContact O-N 3.01Å; E158-A161 PolarHBondContact O-N 3.15Å; E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 2.78Å; E158-L286 HydrophobicContact CB-CD1 3.55Å; E158-L286 HydrophobicContact CG-CD1 3.52Å
159Q87.5Confident81.8Confident67 Ų6774.4 Ų74.431%0.31339%0.39SS..Hα-helixtrans-60.7-39.2175.4-66177.116.700111.3A154 S155 R163A154-Q159 HydrophobicContact CB-CG 3.95Å; A154-Q159 PolarHBondContact O-NE2 3.42Å; S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3.4Å; Q159-R163 WeakPolarHBondContact O-CG 3.32Å; Q159-R163 PolarHBondContact O-N 3.17Å; Q159-R163 PolarHBondContact O-NH1 3.41Å
160R91Very high83.7Confident37 Ų3777.4 Ų77.414%0.1440%0.398CS..Hα-helixtrans-68.5-41.1176.6-165.7-179.9178.4-67.72.4111.8P156 D157 E158 R163 I164 W182 K183 T184 D185 L283P156-R160 WeakPolarHBondContact O-CB 3.16Å; P156-R160 PolarHBondContact O-N 3.23Å; D157-R160 PolarHBondContact O-N 3.28Å; E158-R160 VanDerWaalsContact C-N 3.26Å; E158-R160 PolarHBondContact O-N 3.01Å; R160-R163 PolarHBondContact O-N 3.42Å; R160-I164 PolarHBondContact O-N 2.86Å; R160-I164 VanDerWaalsContact O-N 3.07Å; R160-W182 PolarHBondContact NH1-O 2.92Å; R160-K183 PolarHBondContact NE-O 3.04Å; R160-T184 VanDerWaalsContact NH2-C 3.33Å; R160-D185 IonicContact CZ-OD1 3.15Å; R160-D185 IonicContact NH2-OD1 3.47Å; R160-D185 PolarHBondContact NH2-OD1 3.46Å; R160-L283 HydrophobicContact CB-CD1 4.06Å; R160-L283 HydrophobicContact CG-CD1 4.16Å
161A90.2Very high85.3Confident1 Ų176.3 Ų76.31%0.00839%0.392CS..Hα-helixtrans-59.9-45.7174.900000111.3D157 E158 I164 L165 L181 L283D157-A161 WeakPolarHBondContact O-CB 3.41Å; D157-A161 PolarHBondContact O-N 3Å; E158-A161 PolarHBondContact O-N 3.15Å; A161-I164 PolarHBondContact O-N 3.01Å; A161-L165 WeakPolarHBondContact O-CG 3.26Å; A161-L165 PolarHBondContact O-N 2.95Å; A161-L181 HydrophobicContact CB-CD1 4.29Å; A161-L181 HydrophobicContact CB-CD2 4.44Å; A161-L283 HydrophobicContact CB-CB 4.43Å; A161-L283 HydrophobicContact CB-CD1 4.2Å
162L87.7Confident86.9Confident27 Ų2774.6 Ų74.614%0.14139%0.386CS..Hα-helixtrans-58.8-47.8175.5-72.9171.9000111.8I151 E158 I164 L165 D166 L286I151-L162 HydrophobicContact CG1-CD1 4.21Å; I151-L162 HydrophobicContact CG2-CD1 4.41Å; E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 2.78Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 3.29Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-D166 PolarHBondContact O-N 2.8Å; L162-L286 HydrophobicContact CD1-CD2 4.47Å; L162-L286 HydrophobicContact CD2-CD2 4.3Å
163R90.7Very high88.2Confident134 Ų13470.3 Ų70.351%0.50638%0.376SS..Hα-helixtrans-57.2-38.9175.8-74-169.5-58.7-89.14.5113.1Q159 R160 T167Q159-R163 WeakPolarHBondContact O-CG 3.32Å; Q159-R163 PolarHBondContact O-N 3.17Å; Q159-R163 PolarHBondContact O-NH1 3.41Å; R160-R163 PolarHBondContact O-N 3.42Å; R163-T167 WeakPolarHBondContact O-CB 3.49Å; R163-T167 VanDerWaalsContact O-CG2 3.3Å; R163-T167 WeakPolarHBondContact O-CG2 3.49Å; R163-T167 PolarHBondContact O-N 3.25Å; R163-T167 PolarHBondContact O-OG1 2.99Å
164I92Very high89.2Confident22 Ų2273.7 Ų73.711%0.11339%0.386CS..Hα-helixtrans-65.9-47.6175.1-70.1175.2000110.3R160 A161 L162 D166 T167 T168 L181R160-I164 PolarHBondContact O-N 2.86Å; R160-I164 VanDerWaalsContact O-N 3.07Å; A161-I164 PolarHBondContact O-N 3.01Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 3.29Å; I164-D166 PolarHBondContact O-N 3.3Å; I164-T167 PolarHBondContact O-N 3.5Å; I164-T167 PolarHBondContact O-OG1 2.74Å; I164-T168 HydrophobicContact CG2-CG2 4.01Å; I164-T168 VanDerWaalsContact O-CB 3.3Å; I164-T168 WeakPolarHBondContact O-CB 3.22Å; I164-T168 WeakPolarHBondContact O-CG2 3.24Å; I164-T168 PolarHBondContact O-N 3.22Å; I164-T168 PolarHBondContact O-OG1 2.95Å; I164-L181 HydrophobicContact CB-CD2 3.96Å; I164-L181 HydrophobicContact CG2-CD2 3.79Å
165L90.7Very high90.1Very high36 Ų3681.2 Ų81.219%0.18841%0.413CS..Hα-helixtrans-59.6-47.9-178.9-68171.2000110.7A161 L162 T167 T168 I169 L181A161-L165 WeakPolarHBondContact O-CG 3.26Å; A161-L165 PolarHBondContact O-N 2.95Å; L162-L165 PolarHBondContact O-N 3.02Å; L165-T167 VanDerWaalsContact C-N 3.27Å; L165-T167 PolarHBondContact O-N 2.75Å; L165-T168 PolarHBondContact O-N 3.33Å; L165-I169 HydrophobicContact CB-CD1 3.75Å; L165-I169 HydrophobicContact CB-CG1 4.34Å; L165-I169 HydrophobicContact CD2-CD1 3.92Å; L165-I169 HydrophobicContact CD2-CG1 4.27Å; L165-I169 HydrophobicContact CG-CD1 4.37Å; L165-I169 VanDerWaalsContact O-CB 3.24Å; L165-I169 WeakPolarHBondContact O-CB 3.06Å; L165-I169 WeakPolarHBondContact O-CG1 3.09Å; L165-I169 PolarHBondContact O-N 2.75Å; L165-L181 HydrophobicContact CD2-CD2 3.88Å; L165-L181 HydrophobicContact CG-CD2 3.92Å
166D89.3Confident90.4Very high129 Ų12987 Ų8769%0.6943%0.428SS*.Hα-helixtrans-59.8-35.8178.7-68.8-21.4000112.9L162 I164L162-D166 PolarHBondContact O-N 2.8Å; I164-D166 PolarHBondContact O-N 3.3Å
167T93.3Very high90.6Very high114 Ų11485.9 Ų85.970%0.69941%0.414SS*.Hα-helixtrans-90.8-17.8-176.1540000114.3R163 I164 L165R163-T167 WeakPolarHBondContact O-CB 3.49Å; R163-T167 VanDerWaalsContact O-CG2 3.3Å; R163-T167 WeakPolarHBondContact O-CG2 3.49Å; R163-T167 PolarHBondContact O-N 3.25Å; R163-T167 PolarHBondContact O-OG1 2.99Å; I164-T167 PolarHBondContact O-N 3.5Å; I164-T167 PolarHBondContact O-OG1 2.74Å; L165-T167 VanDerWaalsContact C-N 3.27Å; L165-T167 PolarHBondContact O-N 2.75Å
168T92.9Very high90.7Very high46 Ų4684.7 Ų84.728%0.28242%0.417SS..Hα-helixtrans-118.9-20-172.565.10000114.4I164 L165 R170 G179I164-T168 HydrophobicContact CG2-CG2 4.01Å; I164-T168 VanDerWaalsContact O-CB 3.3Å; I164-T168 WeakPolarHBondContact O-CB 3.22Å; I164-T168 WeakPolarHBondContact O-CG2 3.24Å; I164-T168 PolarHBondContact O-N 3.22Å; I164-T168 PolarHBondContact O-OG1 2.95Å; L165-T168 PolarHBondContact O-N 3.33Å; T168-R170 PolarHBondContact O-N 3.2Å; T168-G179 WeakPolarHBondContact OG1-CA 3.21Å; T168-G179 PolarHBondContact OG1-N 2.79Å
169I93.6Very high90.9Very high87 Ų8783.9 Ų83.945%0.44642%0.42SS..  trans-67121.7174.3-69171.1000108.6L165 Y176 E177 A178L165-I169 HydrophobicContact CB-CD1 3.75Å; L165-I169 HydrophobicContact CB-CG1 4.34Å; L165-I169 HydrophobicContact CD2-CD1 3.92Å; L165-I169 HydrophobicContact CD2-CG1 4.27Å; L165-I169 HydrophobicContact CG-CD1 4.37Å; L165-I169 VanDerWaalsContact O-CB 3.24Å; L165-I169 WeakPolarHBondContact O-CB 3.06Å; L165-I169 WeakPolarHBondContact O-CG1 3.09Å; L165-I169 PolarHBondContact O-N 2.75Å; I169-Y176 HydrophobicContact CG2-CD1 4.34Å; I169-E177 VanDerWaalsContact CA-O 3.32Å; I169-E177 WeakPolarHBondContact CA-O 3.49Å; I169-A178 HydrophobicContact CG1-CB 3.9Å
170R94.1Very high91.1Very high165 Ų16585.8 Ų85.862%0.62343%0.432SS*.EExtended strand (participates in β ladder)trans-148153.8170.963-173.8-174.7-170.10111.1T168 E177T168-R170 PolarHBondContact O-N 3.2Å; R170-E177 HydrophobicContact CG-CG 3.8Å; R170-E177 IonicContact CZ-OE1 3.39Å; R170-E177 PolarHBondContact N-O 3.41Å; R170-E177 VanDerWaalsContact N-O 3.11Å; R170-E177 IonicContact NE-OE1 2.66Å; R170-E177 PolarHBondContact NE-OE1 3.43Å; R170-E177 IonicContact NH2-OE1 2.71Å; R170-E177 PolarHBondContact NH2-OE1 2.82Å; R170-E177 PolarHBondContact O-N 3.32Å
171F93.3Very high91.3Very high111 Ų11185.4 Ų85.449%0.48743%0.432SS..EExtended strand (participates in β ladder)trans-92.4124.4172.6-173.4-116.3000109.4G173 R175 Y176F171-G173 VanDerWaalsContact C-N 3.29Å; F171-G173 VanDerWaalsContact CE1-C 3.44Å; F171-G173 WeakPolarHBondContact CE1-O 3.45Å; F171-G173 WeakPolarHBondContact CZ-O 3.44Å; F171-R175 WeakPolarHBondContact CD2-O 3.5Å; F171-Y176 HydrophobicContact CB-CD1 4.2Å; F171-Y176 HydrophobicContact CB-CE1 3.9Å; F171-Y176 HydrophobicContact CD2-CD1 4.25Å; F171-Y176 AromaticContact CD2-CD2 3.91Å; F171-Y176 HydrophobicContact CD2-CD2 3.91Å; F171-Y176 HydrophobicContact CD2-CE1 4.1Å; F171-Y176 AromaticContact CD2-CE2 3.74Å; F171-Y176 HydrophobicContact CD2-CE2 3.74Å; F171-Y176 HydrophobicContact CD2-CG 4.16Å; F171-Y176 AromaticContact CD2-CZ 3.85Å; F171-Y176 HydrophobicContact CE2-CD2 4.38Å; F171-Y176 HydrophobicContact CE2-CE2 4.16Å; F171-Y176 HydrophobicContact CG-CE1 4.37Å
172T90.4Very high91.5Very high69 Ų6987.4 Ų87.442%0.42344%0.44SS..  trans-87.63.7-178.2640000113.5E174 R175 E177T172-E174 VanDerWaalsContact C-N 3.34Å; T172-R175 PolarHBondContact N-O 3.41Å; T172-R175 PolarHBondContact OG1-N 2.95Å; T172-R175 PolarHBondContact OG1-O 2.96Å; T172-R175 VanDerWaalsContact OG1-O 3.09Å; T172-E177 HydrophobicContact CG2-CG 3.85Å; T172-E177 WeakPolarHBondContact CG2-OE1 3.29Å
173G87.4Confident91.7Very high55 Ų5590.3 Ų90.357%0.56745%0.451SS*.SBendtrans97.5-29.7-170.700000113.1F171F171-G173 VanDerWaalsContact C-N 3.29Å; F171-G173 VanDerWaalsContact CE1-C 3.44Å; F171-G173 WeakPolarHBondContact CE1-O 3.45Å; F171-G173 WeakPolarHBondContact CZ-O 3.44Å
174E89.6Confident91.8Very high157 Ų15787.1 Ų87.173%0.73445%0.446SS*.SBendtrans-112.4-41177.4-64.4-177.6166.400112.8T172T172-E174 VanDerWaalsContact C-N 3.34Å
175R89.3Confident91.7Very high166 Ų16691.7 Ų91.763%0.62647%0.471SS*.  trans-143.4160.5-171.770.2-172.893.8172.36.6111.1F171 T172F171-R175 WeakPolarHBondContact CD2-O 3.5Å; T172-R175 PolarHBondContact N-O 3.41Å; T172-R175 PolarHBondContact OG1-N 2.95Å; T172-R175 PolarHBondContact OG1-O 2.96Å; T172-R175 VanDerWaalsContact OG1-O 3.09Å
176Y90.9Very high91.6Very high173 Ų17397.2 Ų97.268%0.67850%0.495SS*.EExtended strand (participates in β ladder)trans-84.1135.1166.4-72-87.4000109.5I169 F171I169-Y176 HydrophobicContact CG2-CD1 4.34Å; F171-Y176 HydrophobicContact CB-CD1 4.2Å; F171-Y176 HydrophobicContact CB-CE1 3.9Å; F171-Y176 HydrophobicContact CD2-CD1 4.25Å; F171-Y176 AromaticContact CD2-CD2 3.91Å; F171-Y176 HydrophobicContact CD2-CD2 3.91Å; F171-Y176 HydrophobicContact CD2-CE1 4.1Å; F171-Y176 AromaticContact CD2-CE2 3.74Å; F171-Y176 HydrophobicContact CD2-CE2 3.74Å; F171-Y176 HydrophobicContact CD2-CG 4.16Å; F171-Y176 AromaticContact CD2-CZ 3.85Å; F171-Y176 HydrophobicContact CE2-CD2 4.38Å; F171-Y176 HydrophobicContact CE2-CE2 4.16Å; F171-Y176 HydrophobicContact CG-CE1 4.37Å
177E92.1Very high91.6Very high76 Ų7691.3 Ų91.336%0.35546%0.464SS..EExtended strand (participates in β ladder)trans-118.7146.9167.365.3-177.1173.200110I169 R170 T172I169-E177 VanDerWaalsContact CA-O 3.32Å; I169-E177 WeakPolarHBondContact CA-O 3.49Å; R170-E177 HydrophobicContact CG-CG 3.8Å; R170-E177 IonicContact CZ-OE1 3.39Å; R170-E177 PolarHBondContact N-O 3.41Å; R170-E177 VanDerWaalsContact N-O 3.11Å; R170-E177 IonicContact NE-OE1 2.66Å; R170-E177 PolarHBondContact NE-OE1 3.43Å; R170-E177 IonicContact NH2-OE1 2.71Å; R170-E177 PolarHBondContact NH2-OE1 2.82Å; R170-E177 PolarHBondContact O-N 3.32Å; T172-E177 HydrophobicContact CG2-CG 3.85Å; T172-E177 WeakPolarHBondContact CG2-OE1 3.29Å
178A91Very high91.4Very high64 Ų6496.3 Ų96.353%0.52947%0.47SS..  trans-136.1143.417900000109.1I169I169-A178 HydrophobicContact CG1-CB 3.9Å
179G91.3Very high91.4Very high26 Ų2694.4 Ų94.427%0.26846%0.459SS..  trans-66.2142.9174.400000111.2T168 L181T168-G179 WeakPolarHBondContact OG1-CA 3.21Å; T168-G179 PolarHBondContact OG1-N 2.79Å; G179-L181 PolarHBondContact O-N 3.04Å
180L93.1Very high91.3Very high107 Ų10791.7 Ų91.756%0.5645%0.447SS*.  trans-59.9133.5169.3-72.1174.6000109.9W182 L282L180-W182 HydrophobicContact CD1-CZ2 3.82Å; L180-W182 VanDerWaalsContact O-CD1 3.23Å; L180-W182 PolarHBondContact O-N 3.23Å; L180-L282 HydrophobicContact CB-CD2 4.1Å
181L94.2Very high91.1Very high28 Ų2887.6 Ų87.615%0.14744%0.437CS..  trans-76.161.5-177.8-56.1-179.2000111.7A161 I164 L165 G179 L282 L283A161-L181 HydrophobicContact CB-CD1 4.29Å; A161-L181 HydrophobicContact CB-CD2 4.44Å; I164-L181 HydrophobicContact CB-CD2 3.96Å; I164-L181 HydrophobicContact CG2-CD2 3.79Å; L165-L181 HydrophobicContact CD2-CD2 3.88Å; L165-L181 HydrophobicContact CG-CD2 3.92Å; G179-L181 PolarHBondContact O-N 3.04Å; L181-L282 CarbonylContact O-C 3.59Å; L181-L282 VanDerWaalsContact O-CA 3.32Å; L181-L282 WeakPolarHBondContact O-CA 3.46Å; L181-L283 HydrophobicContact CB-CB 4.09Å; L181-L283 PolarHBondContact O-N 3.47Å
182W94.4Very high91.1Very high44 Ų4482.4 Ų82.417%0.16741%0.414CS..BIsolated β-bridgetrans-55.4148.3177.6-66.4105.1000111.5R160 L180 T184 P187 L189 L278 E281 L282 L283R160-W182 PolarHBondContact NH1-O 2.92Å; L180-W182 HydrophobicContact CD1-CZ2 3.82Å; L180-W182 VanDerWaalsContact O-CD1 3.23Å; L180-W182 PolarHBondContact O-N 3.23Å; W182-T184 WeakPolarHBondContact CB-O 3.44Å; W182-P187 HydrophobicContact CD2-CB 4.05Å; W182-P187 HydrophobicContact CD2-CG 3.71Å; W182-P187 HydrophobicContact CE3-CB 3.53Å; W182-P187 HydrophobicContact CE3-CG 3.73Å; W182-P187 HydrophobicContact CG-CG 4.14Å; W182-P187 HydrophobicContact CZ3-CB 3.85Å; W182-P187 HydrophobicContact CZ3-CG 4.15Å; W182-L189 HydrophobicContact CH2-CD1 3.86Å; W182-L189 HydrophobicContact CZ3-CD1 4.04Å; W182-L278 HydrophobicContact CH2-CD1 3.82Å; W182-L278 HydrophobicContact CZ3-CD1 4.07Å; W182-E281 CarbonylContact C-O 3.58Å; W182-E281 HydrophobicContact CE3-CB 4.21Å; W182-E281 HydrophobicContact CZ3-CB 4.02Å; W182-L282 HydrophobicContact CD2-CD2 4.07Å; W182-L282 HydrophobicContact CE3-CD2 3.96Å; W182-L282 HydrophobicContact CZ3-CD2 4.28Å; W182-L283 WeakPolarHBondContact O-CD1 3.16Å
183K93Very high91.2Very high88 Ų8883.7 Ų83.738%0.38341%0.412SS..SBendtrans-73.6-30.6173-75.6-176.2176177.40113.6R160 S280 E281 L282 L283R160-K183 PolarHBondContact NE-O 3.04Å; K183-S280 VanDerWaalsContact CD-O 3.24Å; K183-S280 WeakPolarHBondContact CD-O 3.45Å; K183-S280 WeakPolarHBondContact CE-O 3.02Å; K183-S280 PolarHBondContact NZ-O 3.16Å; K183-E281 PolarHBondContact N-O 2.67Å; K183-L282 WeakPolarHBondContact CE-O 3.49Å; K183-L283 HydrophobicContact CB-CD2 4.49Å; K183-L283 HydrophobicContact CG-CD2 3.77Å; K183-L283 HydrophobicContact CG-CG 3.93Å
184T91.9Very high91.4Very high67 Ų6786.7 Ų86.741%0.41141%0.414SS..SBendtrans-128.3155.1-177.561.90000109.9R160 W182 H186R160-T184 VanDerWaalsContact NH2-C 3.33Å; W182-T184 WeakPolarHBondContact CB-O 3.44Å; T184-H186 PolarHBondContact O-N 2.83Å
185D89.7Confident91.5Very high117 Ų11782.1 Ų82.163%0.62640%0.397SS*.SBendtrans-68.7-25.6179.5-58.1-39000112.1R160 P187 R245R160-D185 IonicContact CZ-OD1 3.15Å; R160-D185 IonicContact NH2-OD1 3.47Å; R160-D185 PolarHBondContact NH2-OD1 3.46Å; D185-P187 WeakPolarHBondContact O-CD 3.32Å; D185-R245 PolarHBondContact O-NH2 3.04Å
186H89.3Confident91.8Very high152 Ų15274.8 Ų74.870%0.70437%0.371SS*.SBendtrans-123.171.6179.5-54.2-54.9000110.6T184 R188T184-H186 PolarHBondContact O-N 2.83Å; H186-R188 PolarHBondContact O-N 2.92Å
187P88.5Confident91.9Very high6 Ų668.9 Ų68.94%0.03935%0.351CS..  trans-59.2135.1175.927.6-35.7000109.7W182 D185 G244W182-P187 HydrophobicContact CD2-CB 4.05Å; W182-P187 HydrophobicContact CD2-CG 3.71Å; W182-P187 HydrophobicContact CE3-CB 3.53Å; W182-P187 HydrophobicContact CE3-CG 3.73Å; W182-P187 HydrophobicContact CG-CG 4.14Å; W182-P187 HydrophobicContact CZ3-CB 3.85Å; W182-P187 HydrophobicContact CZ3-CG 4.15Å; D185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-G244 VanDerWaalsContact O-O 3.1Å
188R89.9Confident92.1Very high218 Ų21872.1 Ų72.182%0.82336%0.364SS*.  trans-119.781.2177.1-72.4-172.9178.11780.4109.6H186H186-R188 PolarHBondContact O-N 2.92Å
189L92.4Very high92.4Very high7 Ų774.4 Ų74.44%0.03736%0.359CS..BIsolated β-bridgetrans-70.8127.3175.3-70.6160.8000110.3W182 G244 W247 L278 E281W182-L189 HydrophobicContact CH2-CD1 3.86Å; W182-L189 HydrophobicContact CZ3-CD1 4.04Å; L189-G244 WeakPolarHBondContact CB-O 3.4Å; L189-G244 PolarHBondContact N-O 2.88Å; L189-G244 WeakPolarHBondContact O-CA 3.31Å; L189-W247 HydrophobicContact CB-CE3 4.04Å; L189-W247 HydrophobicContact CD1-CB 4.12Å; L189-W247 HydrophobicContact CD2-CD2 4.28Å; L189-W247 HydrophobicContact CD2-CE3 3.85Å; L189-W247 HydrophobicContact CD2-CZ3 4.19Å; L189-W247 HydrophobicContact CG-CE3 4.43Å; L189-L278 HydrophobicContact CD1-CD1 4.34Å; L189-E281 HydrophobicContact CD2-CB 4.35Å; L189-E281 HydrophobicContact CD2-CG 3.63Å
190P91.8Very high92.6Very high30 Ų3077.3 Ų77.320%0.19536%0.364CS..PPolyproline II helixtrans-75.2155.1175.933.3-35.8000110.6N192 W247 R274 T276P190-N192 PolarHBondContact O-N 3.15Å; P190-N192 VanDerWaalsContact O-N 3.1Å; P190-W247 HydrophobicContact CG-CZ3 4.13Å; P190-W247 WeakPolarHBondContact O-CZ3 2.96Å; P190-R274 HydrophobicContact CB-CB 4.12Å; P190-R274 HydrophobicContact CG-CB 4Å; P190-T276 HydrophobicContact CG-CG2 3.52Å
191D90.5Very high92.8Very high78 Ų7877.8 Ų77.842%0.41736%0.359SS..PPolyproline II helixtrans-64116.1177.8-176.710.3000111.1R193D191-R193 WeakPolarHBondContact OD1-CB 3.37Å; D191-R193 PolarHBondContact OD1-N 3.14Å
192N93.3Very high92.9Very high3 Ų378.7 Ų78.72%0.01637%0.37CS..  trans-106.45177.276.5-29.2000113.7P190 L194 T195 S196 W247 Y248 S273P190-N192 PolarHBondContact O-N 3.15Å; P190-N192 VanDerWaalsContact O-N 3.1Å; N192-L194 VanDerWaalsContact C-N 3.33Å; N192-L194 PolarHBondContact O-N 2.95Å; N192-T195 WeakPolarHBondContact O-CB 3.34Å; N192-T195 PolarHBondContact O-N 2.79Å; N192-T195 VanDerWaalsContact O-N 3.11Å; N192-S196 PolarHBondContact ND2-OG 3.47Å; N192-S196 PolarHBondContact O-N 3.32Å; N192-S196 PolarHBondContact O-OG 3.17Å; N192-W247 HydrophobicContact CB-CD2 4.37Å; N192-W247 HydrophobicContact CB-CE3 3.95Å; N192-W247 HydrophobicContact CB-CH2 3.81Å; N192-W247 HydrophobicContact CB-CZ2 4.17Å; N192-W247 HydrophobicContact CB-CZ3 3.67Å; N192-W247 VanDerWaalsContact ND2-CD2 3.3Å; N192-W247 WeakPolarHBondContact ND2-CZ2 3.42Å; N192-W247 PolarHBondContact ND2-NE1 3.36Å; N192-Y248 PolarHBondContact ND2-O 3.34Å; N192-Y248 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y248 PolarHBondContact OD1-N 3.27Å; N192-S273 WeakPolarHBondContact CB-OG 3.13Å
193R90.8Very high93Very high96 Ų9677.2 Ų77.236%0.36237%0.366SS..Hα-helixtrans-52.2-48.5-175-178.8-177.2149.792.30.5112.6D191 T195 S196 L197 Y248D191-R193 WeakPolarHBondContact OD1-CB 3.37Å; D191-R193 PolarHBondContact OD1-N 3.14Å; R193-T195 VanDerWaalsContact C-N 3.3Å; R193-T195 PolarHBondContact O-N 3.46Å; R193-S196 PolarHBondContact O-N 2.91Å; R193-L197 WeakPolarHBondContact O-CB 3.48Å; R193-L197 PolarHBondContact O-N 3.17Å; R193-Y248 HydrophobicContact CB-CD2 3.69Å; R193-Y248 HydrophobicContact CB-CE2 3.6Å; R193-Y248 HydrophobicContact CB-CG 4.48Å; R193-Y248 HydrophobicContact CG-CD2 4.3Å; R193-Y248 HydrophobicContact CG-CE2 4.07Å
194L92.2Very high93.2Very high118 Ų11877 Ų7762%0.61837%0.366SS*.Hα-helixtrans-62.4-40.9-175.9-150.3167.1000110.8N192 K198N192-L194 VanDerWaalsContact C-N 3.33Å; N192-L194 PolarHBondContact O-N 2.95Å; L194-K198 HydrophobicContact CD2-CD 4.1Å; L194-K198 VanDerWaalsContact CD2-CE 3.47Å; L194-K198 HydrophobicContact CD2-CG 4.35Å; L194-K198 WeakPolarHBondContact O-CG 3.38Å; L194-K198 PolarHBondContact O-N 2.86Å; L194-K198 VanDerWaalsContact O-N 3.11Å
195T92.9Very high93.4Very high60 Ų6081.4 Ų81.437%0.36838%0.375SS..Hα-helixtrans-66.3-44.7176.1-50.90000111.5N192 R193 K198 R199 S273N192-T195 WeakPolarHBondContact O-CB 3.34Å; N192-T195 PolarHBondContact O-N 2.79Å; N192-T195 VanDerWaalsContact O-N 3.11Å; R193-T195 VanDerWaalsContact C-N 3.3Å; R193-T195 PolarHBondContact O-N 3.46Å; T195-K198 PolarHBondContact O-N 2.8Å; T195-R199 PolarHBondContact O-N 3.24Å; T195-S273 PolarHBondContact OG1-OG 2.96Å
196S93.8Very high93.8Very high12 Ų1281.9 Ų81.98%0.08437%0.368CS..Hα-helixtrans-67.7-38.5179.1-61.70000112N192 R193 R199 F200 Y248N192-S196 PolarHBondContact ND2-OG 3.47Å; N192-S196 PolarHBondContact O-N 3.32Å; N192-S196 PolarHBondContact O-OG 3.17Å; R193-S196 PolarHBondContact O-N 2.91Å; S196-R199 WeakPolarHBondContact O-CB 3.43Å; S196-R199 PolarHBondContact O-N 3.05Å; S196-F200 PolarHBondContact O-N 2.91Å; S196-Y248 PolarHBondContact OG-O 3.23Å
197L94.5Very high94.1Very high50 Ų5076 Ų7626%0.26234%0.342SS..Hα-helixtrans-66.4-38.3177.7-169.967.4000112.1R193 R199 F200 Y201R193-L197 WeakPolarHBondContact O-CB 3.48Å; R193-L197 PolarHBondContact O-N 3.17Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 3.07Å; L197-F200 HydrophobicContact CD1-CD1 4.28Å; L197-F200 WeakPolarHBondContact O-CB 3.37Å; L197-F200 PolarHBondContact O-N 3.05Å; L197-F200 VanDerWaalsContact O-N 3.16Å; L197-Y201 HydrophobicContact CD1-CE2 4.01Å; L197-Y201 HydrophobicContact CD2-CE2 3.77Å; L197-Y201 HydrophobicContact CG-CD2 4.05Å; L197-Y201 HydrophobicContact CG-CE2 3.49Å; L197-Y201 VanDerWaalsContact CG-CE2 3.49Å; L197-Y201 WeakPolarHBondContact O-CD2 3.49Å; L197-Y201 PolarHBondContact O-N 3.41Å
198K96Very high94.4Very high143 Ų14381.3 Ų81.362%0.62237%0.369SS*.Hα-helixtrans-57.8-42.4171.4-77.4175.4175.6179.40112L194 T195 A202L194-K198 HydrophobicContact CD2-CD 4.1Å; L194-K198 VanDerWaalsContact CD2-CE 3.47Å; L194-K198 HydrophobicContact CD2-CG 4.35Å; L194-K198 WeakPolarHBondContact O-CG 3.38Å; L194-K198 PolarHBondContact O-N 2.86Å; L194-K198 VanDerWaalsContact O-N 3.11Å; T195-K198 PolarHBondContact O-N 2.8Å; K198-A202 PolarHBondContact O-N 3.03Å
199R96.1Very high94.8Very high112 Ų11277.4 Ų77.442%0.42336%0.364SS..Hα-helixtrans-67.9-37.5175.6-71.5-174.9171.8-161.90.3111.8T195 S196 L197 A202 L203 P250 D268T195-R199 PolarHBondContact O-N 3.24Å; S196-R199 WeakPolarHBondContact O-CB 3.43Å; S196-R199 PolarHBondContact O-N 3.05Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 3.07Å; R199-A202 PolarHBondContact O-N 2.79Å; R199-L203 PolarHBondContact O-N 3.39Å; R199-P250 HydrophobicContact CB-CB 4.14Å; R199-P250 VanDerWaalsContact CD-CB 3.48Å; R199-P250 HydrophobicContact CG-CB 4.45Å; R199-D268 IonicContact CZ-OD2 3.56Å; R199-D268 IonicContact NH1-OD2 3.66Å; R199-D268 PolarHBondContact NH1-OD2 2.78Å
200F96.4Very high94.9Very high88 Ų8880 Ų8039%0.38638%0.378SS..Hα-helixtrans-60.2-50.9175178.6-95.3000112.1S196 L197 A202 L203 E204 H251S196-F200 PolarHBondContact O-N 2.91Å; L197-F200 HydrophobicContact CD1-CD1 4.28Å; L197-F200 WeakPolarHBondContact O-CB 3.37Å; L197-F200 PolarHBondContact O-N 3.05Å; L197-F200 VanDerWaalsContact O-N 3.16Å; F200-A202 VanDerWaalsContact C-N 3.27Å; F200-A202 PolarHBondContact O-N 3.31Å; F200-L203 CarbonylContact O-C 3.59Å; F200-L203 WeakPolarHBondContact O-CA 3.41Å; F200-L203 WeakPolarHBondContact O-CB 3.42Å; F200-L203 PolarHBondContact O-N 3.16Å; F200-E204 PolarHBondContact O-N 3.36Å; F200-H251 AromaticContact CD2-CE1 4Å
201Y97.5Very high95Very high117 Ų11783.4 Ų83.446%0.45940%0.4SS..Hα-helixtrans-64.8-28.8177.5-67-48.3000113.6L197 R205L197-Y201 HydrophobicContact CD1-CE2 4.01Å; L197-Y201 HydrophobicContact CD2-CE2 3.77Å; L197-Y201 HydrophobicContact CG-CD2 4.05Å; L197-Y201 HydrophobicContact CG-CE2 3.49Å; L197-Y201 VanDerWaalsContact CG-CE2 3.49Å; L197-Y201 WeakPolarHBondContact O-CD2 3.49Å; L197-Y201 PolarHBondContact O-N 3.41Å; Y201-R205 WeakPolarHBondContact O-CG 3.44Å; Y201-R205 PolarHBondContact O-N 3.18Å; Y201-R205 PolarHBondContact O-NE 3.39Å
202A96.8Very high95.1Very high46 Ų4686.7 Ų86.738%0.3841%0.408SS..Hα-helixtrans-68.8-40.5171.400000111.8K198 R199 F200 R206K198-A202 PolarHBondContact O-N 3.03Å; R199-A202 PolarHBondContact O-N 2.79Å; F200-A202 VanDerWaalsContact C-N 3.27Å; F200-A202 PolarHBondContact O-N 3.31Å; A202-R206 PolarHBondContact O-N 3.17Å
203L96.6Very high95.1Very high13 Ų1386.7 Ų86.77%0.06841%0.408CS..Hα-helixtrans-63.7-46.1173.4173.965.4000111.2R199 F200 R205 R206 L207 Y217 H251 P253R199-L203 PolarHBondContact O-N 3.39Å; F200-L203 CarbonylContact O-C 3.59Å; F200-L203 WeakPolarHBondContact O-CA 3.41Å; F200-L203 WeakPolarHBondContact O-CB 3.42Å; F200-L203 PolarHBondContact O-N 3.16Å; L203-R205 PolarHBondContact O-N 2.95Å; L203-R206 CarbonylContact O-C 3.49Å; L203-R206 WeakPolarHBondContact O-CA 3.42Å; L203-R206 VanDerWaalsContact O-CB 3.32Å; L203-R206 WeakPolarHBondContact O-CB 3.45Å; L203-R206 PolarHBondContact O-N 3.32Å; L203-L207 HydrophobicContact CD1-CD1 4.28Å; L203-L207 HydrophobicContact CD1-CD2 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.08Å; L203-L207 HydrophobicContact CG-CD1 4.12Å; L203-L207 HydrophobicContact CG-CG 4.28Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.14Å; L203-Y217 HydrophobicContact CD2-CE1 4.29Å; L203-Y217 HydrophobicContact CD2-CE2 4.48Å; L203-H251 VanDerWaalsContact CD2-ND1 3.29Å; L203-H251 WeakPolarHBondContact CD2-ND1 3.48Å; L203-P253 HydrophobicContact CD1-CG 4.23Å
204E95.8Very high95.3Very high84 Ų8483 Ų8339%0.39340%0.397SS..Hα-helixtrans-56.1-50.9179.3-178.4180-120.300111.5F200 R206 L207 I208F200-E204 PolarHBondContact O-N 3.36Å; E204-R206 PolarHBondContact O-N 3.05Å; E204-L207 PolarHBondContact O-N 3.34Å; E204-I208 HydrophobicContact CG-CD1 3.92Å; E204-I208 WeakPolarHBondContact O-CG1 3.37Å; E204-I208 PolarHBondContact O-N 3.49Å
205R97.7Very high95.4Very high159 Ų15979.3 Ų79.360%0.639%0.388SS*.Hα-helixtrans-55.7-38.5174.6-73.4-178.4-68.6163.4-1.3112.6Y201 L203 N209Y201-R205 WeakPolarHBondContact O-CG 3.44Å; Y201-R205 PolarHBondContact O-N 3.18Å; Y201-R205 PolarHBondContact O-NE 3.39Å; L203-R205 PolarHBondContact O-N 2.95Å; R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 2.9Å; R205-N209 PolarHBondContact O-ND2 3.19Å
206R96.6Very high95.4Very high127 Ų12778.1 Ų78.148%0.47938%0.378SS..Hα-helixtrans-66.4-41.5176.3179.7-179.2174.3-174.1-1.4111.9A202 L203 E204 N209 D210 L213A202-R206 PolarHBondContact O-N 3.17Å; L203-R206 CarbonylContact O-C 3.49Å; L203-R206 WeakPolarHBondContact O-CA 3.42Å; L203-R206 VanDerWaalsContact O-CB 3.32Å; L203-R206 WeakPolarHBondContact O-CB 3.45Å; L203-R206 PolarHBondContact O-N 3.32Å; E204-R206 PolarHBondContact O-N 3.05Å; R206-N209 PolarHBondContact O-N 2.85Å; R206-D210 PolarHBondContact O-N 2.95Å; R206-D210 VanDerWaalsContact O-N 3.17Å; R206-L213 HydrophobicContact CG-CD2 4.22Å
207L95.5Very high95.5Very high29 Ų2978 Ų7815%0.15238%0.376CS..Hα-helixtrans-70.2-37.5178.7-63.2-178.7000111.8L203 E204 N209 D210 L213 A214 Y217L203-L207 HydrophobicContact CD1-CD1 4.28Å; L203-L207 HydrophobicContact CD1-CD2 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.08Å; L203-L207 HydrophobicContact CG-CD1 4.12Å; L203-L207 HydrophobicContact CG-CG 4.28Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.14Å; E204-L207 PolarHBondContact O-N 3.34Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 2.83Å; L207-D210 CarbonylContact O-C 3.49Å; L207-D210 VanDerWaalsContact O-C 3.27Å; L207-D210 PolarHBondContact O-N 2.95Å; L207-D210 VanDerWaalsContact O-O 3.11Å; L207-L213 HydrophobicContact CD2-CB 4.5Å; L207-L213 HydrophobicContact CD2-CD2 3.95Å; L207-L213 HydrophobicContact CD2-CG 3.85Å; L207-A214 HydrophobicContact CB-CB 4.04Å; L207-Y217 HydrophobicContact CD1-CD1 3.88Å; L207-Y217 HydrophobicContact CD1-CE1 4.37Å; L207-Y217 HydrophobicContact CD1-CG 4.04Å; L207-Y217 HydrophobicContact CD2-CD2 4.35Å; L207-Y217 HydrophobicContact CD2-CG 4.19Å
208I96.1Very high95.5Very high118 Ų11877.4 Ų77.461%0.60537%0.374SS*.Hα-helixtrans-59.4-41.4173.7-69.6167.3000110.7E204 D210E204-I208 HydrophobicContact CG-CD1 3.92Å; E204-I208 WeakPolarHBondContact O-CG1 3.37Å; E204-I208 PolarHBondContact O-N 3.49Å; I208-D210 VanDerWaalsContact C-N 3.32Å; I208-D210 PolarHBondContact O-N 3.32Å
209N96.9Very high95.5Very high135 Ų13573 Ų7372%0.72236%0.364SS*.Hα-helixtrans-78-14.1-179.3-67.9-17.7000113.9R205 R206 L207R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 2.9Å; R205-N209 PolarHBondContact O-ND2 3.19Å; R206-N209 PolarHBondContact O-N 2.85Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 2.83Å
210D95.4Very high95.4Very high63 Ų6368.6 Ų68.634%0.33735%0.35SS..  trans-133.585.2-179.5-173.9-15.5000110.4R206 L207 I208 Y212 L213 A214R206-D210 PolarHBondContact O-N 2.95Å; R206-D210 VanDerWaalsContact O-N 3.17Å; L207-D210 CarbonylContact O-C 3.49Å; L207-D210 VanDerWaalsContact O-C 3.27Å; L207-D210 PolarHBondContact O-N 2.95Å; L207-D210 VanDerWaalsContact O-O 3.11Å; I208-D210 VanDerWaalsContact C-N 3.32Å; I208-D210 PolarHBondContact O-N 3.32Å; D210-Y212 PolarHBondContact O-N 2.89Å; D210-Y212 PolarHBondContact OD1-N 3.31Å; D210-L213 HydrophobicContact CB-CB 3.87Å; D210-L213 HydrophobicContact CB-CD2 4.49Å; D210-L213 PolarHBondContact O-N 2.94Å; D210-L213 WeakPolarHBondContact OD1-CB 3.46Å; D210-L213 PolarHBondContact OD1-N 3.39Å; D210-L213 WeakPolarHBondContact OD2-CB 3.33Å; D210-A214 PolarHBondContact O-N 3.1Å
211P94Very high95.4Very high100 Ų10067 Ų6765%0.64935%0.345SS*.Hα-helixtrans-60.5-29.8-178.5-25.635000113.7A214 G215P211-A214 PolarHBondContact O-N 2.92Å; P211-G215 PolarHBondContact O-N 3.19Å
212Y92.2Very high95.3Very high147 Ų14764.9 Ų64.958%0.57634%0.339SS*.Hα-helixtrans-68.9-44.5177.8178.4-103.1000111.1D210 K216D210-Y212 PolarHBondContact O-N 2.89Å; D210-Y212 PolarHBondContact OD1-N 3.31Å; Y212-K216 HydrophobicContact CE1-CD 4.13Å; Y212-K216 VanDerWaalsContact CE1-NZ 3.25Å; Y212-K216 PolarHBondContact O-N 3.47Å; Y212-K216 WeakPolarHBondContact OH-CE 3.38Å; Y212-K216 PolarHBondContact OH-NZ 3.22Å
213L93.4Very high95.3Very high4 Ų466.7 Ų66.72%0.02134%0.34CS..Hα-helixtrans-62.8-42.9172.7-17667.9000111.2R206 L207 D210 K216 Y217 P253 L255 L263R206-L213 HydrophobicContact CG-CD2 4.22Å; L207-L213 HydrophobicContact CD2-CB 4.5Å; L207-L213 HydrophobicContact CD2-CD2 3.95Å; L207-L213 HydrophobicContact CD2-CG 3.85Å; D210-L213 HydrophobicContact CB-CB 3.87Å; D210-L213 HydrophobicContact CB-CD2 4.49Å; D210-L213 PolarHBondContact O-N 2.94Å; D210-L213 WeakPolarHBondContact OD1-CB 3.46Å; D210-L213 PolarHBondContact OD1-N 3.39Å; D210-L213 WeakPolarHBondContact OD2-CB 3.33Å; L213-K216 PolarHBondContact O-N 2.74Å; L213-Y217 VanDerWaalsContact O-CB 3.3Å; L213-Y217 WeakPolarHBondContact O-CB 3.13Å; L213-Y217 PolarHBondContact O-N 3.26Å; L213-P253 HydrophobicContact CD1-CB 4Å; L213-P253 HydrophobicContact CD1-CG 4.15Å; L213-P253 HydrophobicContact CD2-CG 4.04Å; L213-P253 HydrophobicContact CG-CG 4.37Å; L213-L255 HydrophobicContact CD1-CD1 4.29Å; L213-L263 HydrophobicContact CD1-CD1 3.39Å; L213-L263 HydrophobicContact CG-CD1 4.46Å
214A95.1Very high95.2Very high17 Ų1768.9 Ų68.914%0.1435%0.347CS..Hα-helixtrans-59.1-47.2178.100000112.8L207 D210 P211 K216 Y217 V218L207-A214 HydrophobicContact CB-CB 4.04Å; D210-A214 PolarHBondContact O-N 3.1Å; P211-A214 PolarHBondContact O-N 2.92Å; A214-K216 PolarHBondContact O-N 3Å; A214-Y217 WeakPolarHBondContact O-CB 3.4Å; A214-Y217 PolarHBondContact O-N 2.98Å; A214-Y217 VanDerWaalsContact O-N 3.13Å; A214-V218 PolarHBondContact O-N 3.37Å
215G94.5Very high95.2Very high41 Ų4168.1 Ų68.142%0.42335%0.346SS..Hα-helixtrans-59.5-44.8177.500000112.4P211 Y217 A219P211-G215 PolarHBondContact O-N 3.19Å; G215-Y217 VanDerWaalsContact C-N 3.34Å; G215-Y217 PolarHBondContact O-N 3.45Å; G215-A219 PolarHBondContact O-N 2.83Å; G215-A219 VanDerWaalsContact O-N 3.13Å
216K93.9Very high95.1Very high35 Ų3564.8 Ų64.815%0.15235%0.347CS..Hα-helixtrans-65.7-37.3174.2-75.4-174.6174.3170.40112.9Y212 L213 A214 V220 P260 L263Y212-K216 HydrophobicContact CE1-CD 4.13Å; Y212-K216 VanDerWaalsContact CE1-NZ 3.25Å; Y212-K216 PolarHBondContact O-N 3.47Å; Y212-K216 WeakPolarHBondContact OH-CE 3.38Å; Y212-K216 PolarHBondContact OH-NZ 3.22Å; L213-K216 PolarHBondContact O-N 2.74Å; A214-K216 PolarHBondContact O-N 3Å; K216-V220 WeakPolarHBondContact O-CG2 3.43Å; K216-V220 PolarHBondContact O-N 2.72Å; K216-P260 PolarHBondContact NZ-O 2.82Å; K216-L263 HydrophobicContact CB-CB 4.14Å; K216-L263 HydrophobicContact CB-CD1 3.89Å; K216-L263 HydrophobicContact CD-CB 4.32Å
217Y95.4Very high95Very high11 Ų1165.1 Ų65.14%0.04335%0.349CS..Hα-helixtrans-62.4-47.9179.7-160.1-92.8000110.8L203 L207 L213 A214 G215 V220 I221 H251 P253 L263 V265L203-Y217 HydrophobicContact CD2-CE1 4.29Å; L203-Y217 HydrophobicContact CD2-CE2 4.48Å; L207-Y217 HydrophobicContact CD1-CD1 3.88Å; L207-Y217 HydrophobicContact CD1-CE1 4.37Å; L207-Y217 HydrophobicContact CD1-CG 4.04Å; L207-Y217 HydrophobicContact CD2-CD2 4.35Å; L207-Y217 HydrophobicContact CD2-CG 4.19Å; L213-Y217 VanDerWaalsContact O-CB 3.3Å; L213-Y217 WeakPolarHBondContact O-CB 3.13Å; L213-Y217 PolarHBondContact O-N 3.26Å; A214-Y217 WeakPolarHBondContact O-CB 3.4Å; A214-Y217 PolarHBondContact O-N 2.98Å; A214-Y217 VanDerWaalsContact O-N 3.13Å; G215-Y217 VanDerWaalsContact C-N 3.34Å; G215-Y217 PolarHBondContact O-N 3.45Å; Y217-V220 PolarHBondContact O-N 3.21Å; Y217-I221 HydrophobicContact CD1-CG1 4.04Å; Y217-I221 HydrophobicContact CE1-CD1 4.12Å; Y217-I221 HydrophobicContact CE1-CG1 3.92Å; Y217-I221 WeakPolarHBondContact O-CG1 3.46Å; Y217-I221 PolarHBondContact O-N 2.78Å; Y217-I221 VanDerWaalsContact O-N 3.13Å; Y217-H251 AromaticContact CZ-ND1 3.84Å; Y217-H251 PolarHBondContact OH-ND1 3.1Å; Y217-P253 HydrophobicContact CD2-CB 3.87Å; Y217-P253 HydrophobicContact CD2-CG 4.22Å; Y217-P253 HydrophobicContact CE2-CB 3.94Å; Y217-P253 HydrophobicContact CE2-CG 4.18Å; Y217-L263 HydrophobicContact CD2-CD2 4.14Å; Y217-V265 HydrophobicContact CD2-CG2 4.02Å; Y217-V265 HydrophobicContact CE2-CB 4.49Å; Y217-V265 HydrophobicContact CE2-CG1 4.29Å; Y217-V265 HydrophobicContact CE2-CG2 3.57Å; Y217-V265 WeakPolarHBondContact OH-CG1 3.49Å
218V94.8Very high94.7Very high37 Ų3770.7 Ų70.722%0.22438%0.379CS..Hα-helixtrans-67.8-39.7-178.4164.10000111.7A214 V220 I221 E222 M337A214-V218 PolarHBondContact O-N 3.37Å; V218-V220 PolarHBondContact O-N 2.86Å; V218-I221 PolarHBondContact O-N 3.03Å; V218-E222 HydrophobicContact CG1-CG 4.03Å; V218-E222 WeakPolarHBondContact CG1-OE1 3.43Å; V218-E222 WeakPolarHBondContact O-CG 3.34Å; V218-E222 PolarHBondContact O-N 3.38Å; V218-M337 HydrophobicContact CB-CE 3.42Å; V218-M337 VanDerWaalsContact CB-CE 3.42Å; V218-M337 HydrophobicContact CG1-CE 3.58Å; V218-M337 HydrophobicContact CG2-CE 3.28Å; V218-M337 HydrophobicContact CG2-SD 4.45Å
219A94.9Very high94.5Very high51 Ų5171.5 Ų71.542%0.42138%0.38SS..Hα-helixtrans-54.7-38.2172.800000112.7G215 E223G215-A219 PolarHBondContact O-N 2.83Å; G215-A219 VanDerWaalsContact O-N 3.13Å; A219-E223 WeakPolarHBondContact O-CB 3.49Å; A219-E223 PolarHBondContact O-N 2.89Å
220V95.2Very high94.3Very high18 Ų1867.2 Ų67.211%0.10936%0.363CS..Hα-helixtrans-71.5-37.1176.4176.70000112.1K216 Y217 V218 E223 Y224 L263 V265K216-V220 WeakPolarHBondContact O-CG2 3.43Å; K216-V220 PolarHBondContact O-N 2.72Å; Y217-V220 PolarHBondContact O-N 3.21Å; V218-V220 PolarHBondContact O-N 2.86Å; V220-E223 PolarHBondContact O-N 3.07Å; V220-Y224 HydrophobicContact CG1-CD2 4.43Å; V220-Y224 HydrophobicContact CG1-CE1 4.44Å; V220-Y224 HydrophobicContact CG1-CE2 3.77Å; V220-Y224 WeakPolarHBondContact O-CD2 3.34Å; V220-Y224 PolarHBondContact O-N 3.39Å; V220-L263 HydrophobicContact CG2-CD2 3.93Å; V220-V265 HydrophobicContact CB-CG2 3.99Å; V220-V265 HydrophobicContact CG1-CB 4.12Å; V220-V265 HydrophobicContact CG1-CG2 3.58Å
221I95.1Very high94.2Very high55 Ų5570.3 Ų70.328%0.28237%0.373SS..Hα-helixtrans-68.9-41.7176.8-61.7-58.9000110.9Y217 V218 E223 Y224 L225Y217-I221 HydrophobicContact CD1-CG1 4.04Å; Y217-I221 HydrophobicContact CE1-CD1 4.12Å; Y217-I221 HydrophobicContact CE1-CG1 3.92Å; Y217-I221 WeakPolarHBondContact O-CG1 3.46Å; Y217-I221 PolarHBondContact O-N 2.78Å; Y217-I221 VanDerWaalsContact O-N 3.13Å; V218-I221 PolarHBondContact O-N 3.03Å; I221-E223 VanDerWaalsContact C-N 3.31Å; I221-E223 PolarHBondContact O-N 2.75Å; I221-Y224 HydrophobicContact CD1-CD2 4.19Å; I221-Y224 HydrophobicContact CD1-CE2 4.46Å; I221-Y224 WeakPolarHBondContact O-CB 3.3Å; I221-Y224 PolarHBondContact O-N 2.92Å; I221-Y224 VanDerWaalsContact O-N 3.14Å; I221-L225 WeakPolarHBondContact O-CG 3.4Å; I221-L225 PolarHBondContact O-N 2.91Å; I221-L225 VanDerWaalsContact O-N 3.1Å
222E95.7Very high94.1Very high72 Ų7270.7 Ų70.734%0.33637%0.374SS..Hα-helixtrans-61.7-38.4174.5-72.6174.5169.800111.8V218 Y224 L225 S226V218-E222 HydrophobicContact CG1-CG 4.03Å; V218-E222 WeakPolarHBondContact CG1-OE1 3.43Å; V218-E222 WeakPolarHBondContact O-CG 3.34Å; V218-E222 PolarHBondContact O-N 3.38Å; E222-Y224 VanDerWaalsContact C-N 3.32Å; E222-Y224 PolarHBondContact O-N 2.93Å; E222-L225 PolarHBondContact O-N 3.46Å; E222-S226 PolarHBondContact O-N 2.75Å; E222-S226 PolarHBondContact O-OG 3.14Å
223E96.1Very high94Very high85 Ų8568.7 Ų68.740%0.39737%0.372SS..Hα-helixtrans-61.4-38.4173-175.9177.8-167.500112.1A219 V220 I221 L225 S226 Y227A219-E223 WeakPolarHBondContact O-CB 3.49Å; A219-E223 PolarHBondContact O-N 2.89Å; V220-E223 PolarHBondContact O-N 3.07Å; I221-E223 VanDerWaalsContact C-N 3.31Å; I221-E223 PolarHBondContact O-N 2.75Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-S226 PolarHBondContact O-N 3.29Å; E223-S226 PolarHBondContact O-OG 3.47Å; E223-S226 VanDerWaalsContact O-OG 3.05Å; E223-Y227 HydrophobicContact CG-CD2 3.79Å; E223-Y227 HydrophobicContact CG-CE2 3.25Å; E223-Y227 VanDerWaalsContact O-CD2 3.28Å; E223-Y227 WeakPolarHBondContact O-CD2 3.32Å; E223-Y227 PolarHBondContact O-N 2.84Å; E223-Y227 VanDerWaalsContact OE1-CE2 3.26Å; E223-Y227 WeakPolarHBondContact OE1-CE2 3.14Å; E223-Y227 PolarHBondContact OE1-OH 3.15Å
224Y95.4Very high93.9Very high58 Ų5872 Ų7223%0.22739%0.393CS..Hα-helixtrans-67.7-34.2174.2-63.7-33.8000113V220 I221 E222 H229 A230 V265 F267V220-Y224 HydrophobicContact CG1-CD2 4.43Å; V220-Y224 HydrophobicContact CG1-CE1 4.44Å; V220-Y224 HydrophobicContact CG1-CE2 3.77Å; V220-Y224 WeakPolarHBondContact O-CD2 3.34Å; V220-Y224 PolarHBondContact O-N 3.39Å; I221-Y224 HydrophobicContact CD1-CD2 4.19Å; I221-Y224 HydrophobicContact CD1-CE2 4.46Å; I221-Y224 WeakPolarHBondContact O-CB 3.3Å; I221-Y224 PolarHBondContact O-N 2.92Å; I221-Y224 VanDerWaalsContact O-N 3.14Å; E222-Y224 VanDerWaalsContact C-N 3.32Å; E222-Y224 PolarHBondContact O-N 2.93Å; Y224-H229 WeakPolarHBondContact O-CA 3.36Å; Y224-H229 WeakPolarHBondContact O-CB 3.35Å; Y224-H229 PolarHBondContact O-N 3.39Å; Y224-A230 PolarHBondContact O-N 3.31Å; Y224-A230 VanDerWaalsContact O-N 3.15Å; Y224-V265 HydrophobicContact CE2-CB 4.29Å; Y224-F267 HydrophobicContact CD2-CZ 4.35Å; Y224-F267 AromaticContact CE2-CE2 3.78Å; Y224-F267 HydrophobicContact CE2-CE2 3.78Å; Y224-F267 AromaticContact CE2-CZ 3.95Å; Y224-F267 HydrophobicContact CE2-CZ 3.95Å
225L95.3Very high93.5Very high69 Ų6975.1 Ų75.136%0.36142%0.419SS..Hα-helixtrans-71.4-39.5175.5-64.7173.6000111.3I221 E222 E223 Y227 D228 A230 V232I221-L225 WeakPolarHBondContact O-CG 3.4Å; I221-L225 PolarHBondContact O-N 2.91Å; I221-L225 VanDerWaalsContact O-N 3.1Å; E222-L225 PolarHBondContact O-N 3.46Å; E223-L225 VanDerWaalsContact C-N 3.34Å; L225-Y227 PolarHBondContact O-N 3.44Å; L225-D228 PolarHBondContact O-N 3.08Å; L225-A230 HydrophobicContact CD2-CB 4.21Å; L225-A230 WeakPolarHBondContact CD2-O 3.16Å; L225-V232 HydrophobicContact CD2-CG2 4.2Å
226S96.3Very high93.2Very high89 Ų8980.7 Ų80.762%0.62243%0.434SS*.Hα-helixtrans-70.8-30.2-178.169.90000113.4E222 E223 D228E222-S226 PolarHBondContact O-N 2.75Å; E222-S226 PolarHBondContact O-OG 3.14Å; E223-S226 PolarHBondContact O-N 3.29Å; E223-S226 PolarHBondContact O-OG 3.47Å; E223-S226 VanDerWaalsContact O-OG 3.05Å; S226-D228 VanDerWaalsContact C-N 3.29Å
227Y93.1Very high92.8Very high134 Ų13482.6 Ų82.653%0.52544%0.443SS..THydrogen-bonded Turntrans-87.18.5173.8-60.7-34.3000114.1E223 L225 H229E223-Y227 HydrophobicContact CG-CD2 3.79Å; E223-Y227 HydrophobicContact CG-CE2 3.25Å; E223-Y227 VanDerWaalsContact O-CD2 3.28Å; E223-Y227 WeakPolarHBondContact O-CD2 3.32Å; E223-Y227 PolarHBondContact O-N 2.84Å; E223-Y227 VanDerWaalsContact OE1-CE2 3.26Å; E223-Y227 WeakPolarHBondContact OE1-CE2 3.14Å; E223-Y227 PolarHBondContact OE1-OH 3.15Å; L225-Y227 PolarHBondContact O-N 3.44Å; Y227-H229 VanDerWaalsContact CB-CE1 3.5Å; Y227-H229 WeakPolarHBondContact CB-CE1 3.06Å; Y227-H229 AromaticContact CD2-CE1 3.65Å; Y227-H229 AromaticContact CD2-ND1 3.96Å; Y227-H229 AromaticContact CG-CE1 3.98Å; Y227-H229 PolarHBondContact O-CD2 2.9Å; Y227-H229 PolarHBondContact O-N 2.86Å; Y227-H229 VanDerWaalsContact O-N 3.09Å
228D90.4Very high92.2Very high146 Ų14683.1 Ų83.178%0.78145%0.451SS*.THydrogen-bonded Turntrans57.524.1-176.7-115-7000113.1L225 S226 A230L225-D228 PolarHBondContact O-N 3.08Å; S226-D228 VanDerWaalsContact C-N 3.29Å; D228-A230 VanDerWaalsContact C-N 3.32Å
229H90.6Very high91.6Very high135 Ų13586.8 Ų86.863%0.62547%0.47SS*.SBendtrans-79.1-20.9175.3-62.3168.4000112Y224 Y227Y224-H229 WeakPolarHBondContact O-CA 3.36Å; Y224-H229 WeakPolarHBondContact O-CB 3.35Å; Y224-H229 PolarHBondContact O-N 3.39Å; Y227-H229 VanDerWaalsContact CB-CE1 3.5Å; Y227-H229 WeakPolarHBondContact CB-CE1 3.06Å; Y227-H229 AromaticContact CD2-CE1 3.65Å; Y227-H229 AromaticContact CD2-ND1 3.96Å; Y227-H229 AromaticContact CG-CE1 3.98Å; Y227-H229 PolarHBondContact O-CD2 2.9Å; Y227-H229 PolarHBondContact O-N 2.86Å; Y227-H229 VanDerWaalsContact O-N 3.09Å
230A92.7Very high90.8Very high45 Ų4589.4 Ų89.437%0.37248%0.48SS..  trans-142.6152.8177.400000109.9Y224 L225 D228Y224-A230 PolarHBondContact O-N 3.31Å; Y224-A230 VanDerWaalsContact O-N 3.15Å; L225-A230 HydrophobicContact CD2-CB 4.21Å; L225-A230 WeakPolarHBondContact CD2-O 3.16Å; D228-A230 VanDerWaalsContact C-N 3.32Å
231K93.5Very high89.9Confident127 Ų12792.6 Ų92.655%0.55249%0.49SS*.  trans-127.6149.9169.883.4178.6-166.8173.20110.4L233 E237K231-L233 HydrophobicContact CG-CD2 4.16Å; K231-L233 PolarHBondContact O-N 3.1Å; K231-E237 WeakPolarHBondContact CE-OE1 3.15Å; K231-E237 IonicContact NZ-OE1 3.8Å; K231-E237 PolarHBondContact NZ-OE1 3.29Å; K231-E237 IonicContact NZ-OE2 2.78Å
232V92.4Very high89.2Confident108 Ų10893.3 Ų93.366%0.65550%0.499SS*.PPolyproline II helixtrans-72.9123168.3-177.10000107.9L225L225-V232 HydrophobicContact CD2-CG2 4.2Å
233L90.6Very high88.3Confident105 Ų10598.1 Ų98.155%0.5553%0.525SS..PPolyproline II helixtrans-77.3138177-61.6179.9000110K231 E237K231-L233 HydrophobicContact CG-CD2 4.16Å; K231-L233 PolarHBondContact O-N 3.1Å; L233-E237 HydrophobicContact CB-CB 4.34Å; L233-E237 HydrophobicContact CD2-CB 4.41Å
234T91.3Very high87.7Confident75 Ų7594.5 Ų94.546%0.4651%0.51SS..PPolyproline II helixtrans-67.2161.7168.460.50000110.9E236 E237 G238T234-E236 PolarHBondContact O-N 2.82Å; T234-E237 PolarHBondContact N-OE2 3.42Å; T234-E237 PolarHBondContact O-N 3.26Å; T234-E237 WeakPolarHBondContact OG1-CB 3.47Å; T234-E237 WeakPolarHBondContact OG1-CG 3.4Å; T234-E237 PolarHBondContact OG1-N 3.34Å; T234-E237 PolarHBondContact OG1-OE2 3.14Å; T234-G238 PolarHBondContact O-N 3.24Å
235A87.3Confident87.4Confident81 Ų8197.9 Ų97.967%0.66952%0.522SS*.Hα-helixtrans-58.4-36176.400000112.1N239A235-N239 WeakPolarHBondContact O-CB 3.32Å; A235-N239 PolarHBondContact O-N 3.01Å; A235-N239 PolarHBondContact O-ND2 3.4Å
236E87.4Confident87.2Confident159 Ų15996.6 Ų96.674%0.74352%0.518SS*.Hα-helixtrans-66-51.9176.3-63.4178.9-176.900111.2T234 G238 N239 V240T234-E236 PolarHBondContact O-N 2.82Å; E236-G238 VanDerWaalsContact C-N 3.3Å; E236-G238 PolarHBondContact O-N 3.44Å; E236-N239 WeakPolarHBondContact O-CA 3.38Å; E236-N239 PolarHBondContact O-N 2.94Å; E236-V240 WeakPolarHBondContact O-CG2 3.29Å; E236-V240 PolarHBondContact O-N 3.2Å
237E86.1Confident87Confident75 Ų7593.9 Ų93.935%0.3549%0.494SS..Hα-helixtrans-60.5-38.2177-71171.7133.200112.5K231 L233 T234 N239 V240K231-E237 WeakPolarHBondContact CE-OE1 3.15Å; K231-E237 IonicContact NZ-OE1 3.8Å; K231-E237 PolarHBondContact NZ-OE1 3.29Å; K231-E237 IonicContact NZ-OE2 2.78Å; L233-E237 HydrophobicContact CB-CB 4.34Å; L233-E237 HydrophobicContact CD2-CB 4.41Å; T234-E237 PolarHBondContact N-OE2 3.42Å; T234-E237 PolarHBondContact O-N 3.26Å; T234-E237 WeakPolarHBondContact OG1-CB 3.47Å; T234-E237 WeakPolarHBondContact OG1-CG 3.4Å; T234-E237 PolarHBondContact OG1-N 3.34Å; T234-E237 PolarHBondContact OG1-OE2 3.14Å; E237-N239 PolarHBondContact O-N 3.34Å; E237-V240 PolarHBondContact O-N 3.25Å
238G81.7Confident87Confident21 Ų2190.4 Ų90.422%0.21648%0.48CS..Hα-helixtrans-66.9-20.917600000114T234 E236 R241T234-G238 PolarHBondContact O-N 3.24Å; E236-G238 VanDerWaalsContact C-N 3.3Å; E236-G238 PolarHBondContact O-N 3.44Å; G238-R241 PolarHBondContact O-NE 3.05Å; G238-R241 VanDerWaalsContact O-NE 3.15Å
239N82.4Confident87.2Confident115 Ų11586.4 Ų86.462%0.61546%0.459SS*.Hα-helixtrans-93.6-27.7176.8-72.1-27.2000112.7A235 E236 E237 R241A235-N239 WeakPolarHBondContact O-CB 3.32Å; A235-N239 PolarHBondContact O-N 3.01Å; A235-N239 PolarHBondContact O-ND2 3.4Å; E236-N239 WeakPolarHBondContact O-CA 3.38Å; E236-N239 PolarHBondContact O-N 2.94Å; E237-N239 PolarHBondContact O-N 3.34Å; N239-R241 PolarHBondContact O-N 3.28Å
240V79.1Confident87.5Confident105 Ų10580.4 Ų80.464%0.63643%0.431SS*.  trans-69.297169.2179.70000108.5E236 E237 P242E236-V240 WeakPolarHBondContact O-CG2 3.29Å; E236-V240 PolarHBondContact O-N 3.2Å; E237-V240 PolarHBondContact O-N 3.25Å; V240-P242 VanDerWaalsContact O-CD 3.29Å; V240-P242 WeakPolarHBondContact O-CD 3.49Å
241R75.2Confident87.6Confident85 Ų8580.7 Ų80.732%0.32143%0.425SS..  trans-115.788.5-178.4-63.3178.4-165.7169.910.4110.4G238 N239 I243 Y248G238-R241 PolarHBondContact O-NE 3.05Å; G238-R241 VanDerWaalsContact O-NE 3.15Å; N239-R241 PolarHBondContact O-N 3.28Å; R241-I243 PolarHBondContact O-N 3.49Å; R241-Y248 WeakPolarHBondContact CD-OH 3.47Å; R241-Y248 PolarHBondContact NE-OH 3.25Å
242P80.6Confident87.7Confident71 Ų7178.1 Ų78.146%0.46142%0.415SS..  trans-56.3106.5172-24.934.4000110.4V240 G244 R245 T246V240-P242 VanDerWaalsContact O-CD 3.29Å; V240-P242 WeakPolarHBondContact O-CD 3.49Å; P242-G244 PolarHBondContact O-N 2.71Å; P242-R245 HydrophobicContact CB-CB 4.25Å; P242-R245 PolarHBondContact O-N 2.66Å; P242-R245 VanDerWaalsContact O-N 3.08Å; P242-T246 WeakPolarHBondContact CD-OG1 3.05Å; P242-T246 PolarHBondContact O-N 3.31Å; P242-T246 PolarHBondContact O-OG1 2.82Å
243I76.4Confident87.8Confident173 Ų17373.4 Ų73.489%0.88739%0.386SS*.THydrogen-bonded Turntrans-58.2133.2-179.2-60.8173.8000108.5R241 R245R241-I243 PolarHBondContact O-N 3.49Å; I243-R245 VanDerWaalsContact C-N 3.29Å; I243-R245 PolarHBondContact O-N 3.28Å
244G85.1Confident88Confident8 Ų871.5 Ų71.58%0.08238%0.379CS..BIsolated β-bridgetrans86.8-15.1-179.700000115.1P187 L189 P242P187-G244 VanDerWaalsContact O-O 3.1Å; L189-G244 WeakPolarHBondContact CB-O 3.4Å; L189-G244 PolarHBondContact N-O 2.88Å; L189-G244 WeakPolarHBondContact O-CA 3.31Å; P242-G244 PolarHBondContact O-N 2.71Å
245R88Confident87.9Confident129 Ų12971.7 Ų71.749%0.48738%0.377SS..THydrogen-bonded Turntrans-117.8-11.7-178.9-69.2-68.7-167.9166.9-0.1114.2D185 P242 I243D185-R245 PolarHBondContact O-NH2 3.04Å; P242-R245 HydrophobicContact CB-CB 4.25Å; P242-R245 PolarHBondContact O-N 2.66Å; P242-R245 VanDerWaalsContact O-N 3.08Å; I243-R245 VanDerWaalsContact C-N 3.29Å; I243-R245 PolarHBondContact O-N 3.28Å
246T91Very high88Confident43 Ų4371.4 Ų71.426%0.26436%0.364SS..  trans-94.3131175.5-53.10000111.6P242 Y248P242-T246 WeakPolarHBondContact CD-OG1 3.05Å; P242-T246 PolarHBondContact O-N 3.31Å; P242-T246 PolarHBondContact O-OG1 2.82Å; T246-Y248 HydrophobicContact CG2-CD2 4.48Å; T246-Y248 HydrophobicContact CG2-CE2 3.86Å
247W92.7Very high88Confident31 Ų3169.6 Ų69.612%0.11737%0.366CS..  trans-139.1128173.1-172-99.6000111.1L189 P190 N192 A271 T276 L278L189-W247 HydrophobicContact CB-CE3 4.04Å; L189-W247 HydrophobicContact CD1-CB 4.12Å; L189-W247 HydrophobicContact CD2-CD2 4.28Å; L189-W247 HydrophobicContact CD2-CE3 3.85Å; L189-W247 HydrophobicContact CD2-CZ3 4.19Å; L189-W247 HydrophobicContact CG-CE3 4.43Å; P190-W247 HydrophobicContact CG-CZ3 4.13Å; P190-W247 WeakPolarHBondContact O-CZ3 2.96Å; N192-W247 HydrophobicContact CB-CD2 4.37Å; N192-W247 HydrophobicContact CB-CE3 3.95Å; N192-W247 HydrophobicContact CB-CH2 3.81Å; N192-W247 HydrophobicContact CB-CZ2 4.17Å; N192-W247 HydrophobicContact CB-CZ3 3.67Å; N192-W247 VanDerWaalsContact ND2-CD2 3.3Å; N192-W247 WeakPolarHBondContact ND2-CZ2 3.42Å; N192-W247 PolarHBondContact ND2-NE1 3.36Å; W247-A271 WeakPolarHBondContact CZ2-O 3.41Å; W247-T276 HydrophobicContact CH2-CG2 4.33Å; W247-T276 WeakPolarHBondContact CH2-O 3.22Å; W247-T276 HydrophobicContact CZ3-CG2 4.39Å; W247-L278 HydrophobicContact CG-CB 4.48Å
248Y93.2Very high88.2Confident62 Ų6272.9 Ų72.924%0.24339%0.386CS..  trans-92.2111.8-179.6-63.3-85.9000110.2N192 R193 S196 R241 T246 P250N192-Y248 PolarHBondContact ND2-O 3.34Å; N192-Y248 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y248 PolarHBondContact OD1-N 3.27Å; R193-Y248 HydrophobicContact CB-CD2 3.69Å; R193-Y248 HydrophobicContact CB-CE2 3.6Å; R193-Y248 HydrophobicContact CB-CG 4.48Å; R193-Y248 HydrophobicContact CG-CD2 4.3Å; R193-Y248 HydrophobicContact CG-CE2 4.07Å; S196-Y248 PolarHBondContact OG-O 3.23Å; R241-Y248 WeakPolarHBondContact CD-OH 3.47Å; R241-Y248 PolarHBondContact NE-OH 3.25Å; T246-Y248 HydrophobicContact CG2-CD2 4.48Å; T246-Y248 HydrophobicContact CG2-CE2 3.86Å; Y248-P250 VanDerWaalsContact O-CD 3.25Å; Y248-P250 WeakPolarHBondContact O-CD 3.39Å
249L95Very high88.5Confident62 Ų6276.8 Ų76.833%0.32540%0.397SS..  trans-79.1113178.8-69172.7000110.8F267 A269 L278L249-F267 HydrophobicContact CB-CB 4.31Å; L249-F267 HydrophobicContact CB-CD1 4.31Å; L249-F267 HydrophobicContact CD1-CB 4.2Å; L249-A269 HydrophobicContact CD2-CB 3.8Å; L249-L278 HydrophobicContact CD2-CD2 3.99Å
250P95.2Very high88.5Confident8 Ų875 Ų755%0.05239%0.392CS..  trans-65.6139.9170.326.9-29.9000109.4R199 Y248 D268 A271R199-P250 HydrophobicContact CB-CB 4.14Å; R199-P250 VanDerWaalsContact CD-CB 3.48Å; R199-P250 HydrophobicContact CG-CB 4.45Å; Y248-P250 VanDerWaalsContact O-CD 3.25Å; Y248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-D268 HydrophobicContact CG-CB 4.23Å; P250-D268 PolarHBondContact O-N 2.94Å; P250-A271 HydrophobicContact CG-CB 3.48Å; P250-A271 VanDerWaalsContact CG-CB 3.48Å
251H95.4Very high88.7Confident52 Ų5275.6 Ų75.624%0.24139%0.391CS..EExtended strand (participates in β ladder)trans-123.9152-178.251.372.9000111.6F200 L203 Y217 V265 V266 F267F200-H251 AromaticContact CD2-CE1 4Å; L203-H251 VanDerWaalsContact CD2-ND1 3.29Å; L203-H251 WeakPolarHBondContact CD2-ND1 3.48Å; Y217-H251 AromaticContact CZ-ND1 3.84Å; Y217-H251 PolarHBondContact OH-ND1 3.1Å; H251-V265 HydrophobicContact CB-CG1 3.96Å; H251-V266 CarbonylContact C-O 3.58Å; H251-V266 WeakPolarHBondContact CA-O 3.12Å; H251-F267 HydrophobicContact CB-CD1 3.86Å; H251-F267 HydrophobicContact CB-CE1 4.05Å
252H95.1Very high89.4Confident73 Ų7377 Ų7734%0.33840%0.4SS..EExtended strand (participates in β ladder)trans-152.815317861.6-81.5000112V266H252-V266 PolarHBondContact N-O 3.46Å; H252-V266 PolarHBondContact O-N 3.5Å
253P95.3Very high90Very high8 Ų874.2 Ų74.25%0.05238%0.381CS..EExtended strand (participates in β ladder)trans-78.8138.8177.328.2-31.2000112.1L203 L213 Y217 L263L203-P253 HydrophobicContact CD1-CG 4.23Å; L213-P253 HydrophobicContact CD1-CB 4Å; L213-P253 HydrophobicContact CD1-CG 4.15Å; L213-P253 HydrophobicContact CD2-CG 4.04Å; L213-P253 HydrophobicContact CG-CG 4.37Å; Y217-P253 HydrophobicContact CD2-CB 3.87Å; Y217-P253 HydrophobicContact CD2-CG 4.22Å; Y217-P253 HydrophobicContact CE2-CB 3.94Å; Y217-P253 HydrophobicContact CE2-CG 4.18Å; P253-L263 HydrophobicContact CB-CD1 3.79Å; P253-L263 HydrophobicContact CB-CD2 4.26Å; P253-L263 HydrophobicContact CB-CG 4.13Å
254V94.1Very high90.8Very high65 Ų6573.4 Ų73.439%0.39437%0.367SS..EExtended strand (participates in β ladder)trans-122.5128.1169.6178.40000109.1R264 V266V254-R264 PolarHBondContact N-O 2.91Å; V254-R264 PolarHBondContact O-N 3.41Å; V254-V266 HydrophobicContact CB-CG2 4.2Å; V254-V266 HydrophobicContact CG2-CB 4.36Å; V254-V266 HydrophobicContact CG2-CG2 3.59Å
255L90.6Very high91.3Very high80 Ų8073.5 Ų73.542%0.41937%0.365SS..EExtended strand (participates in β ladder)trans-108.1132.6174.4-69.3169.7000108.8L213 L263L213-L255 HydrophobicContact CD1-CD1 4.29Å; L255-L263 HydrophobicContact CD2-CB 3.91Å; L255-L263 HydrophobicContact CD2-CD1 4.19Å; L255-L263 HydrophobicContact CD2-CG 4.24Å
256N88.1Confident91.7Very high75 Ų7570.1 Ų70.140%0.40136%0.359SS..EExtended strand (participates in β ladder)trans-89.7124.6172.9-175.2-26.7000108.9N258 K259N256-N258 PolarHBondContact O-N 3.17Å; N256-N258 VanDerWaalsContact O-N 3.17Å; N256-N258 WeakPolarHBondContact OD1-CB 3.47Å; N256-N258 PolarHBondContact OD1-N 2.86Å; N256-K259 HydrophobicContact CB-CB 4.31Å; N256-K259 CarbonylContact O-C 3.57Å; N256-K259 PolarHBondContact O-N 3.1Å
257P88Confident91.9Very high120 Ų12072.4 Ų72.478%0.77937%0.366SS*.THydrogen-bonded Turntrans-55-33.1177-26.234.5000113.8K259P257-K259 VanDerWaalsContact C-N 3.32Å
258N90.4Very high92Very high145 Ų14572.7 Ų72.778%0.77537%0.369SS*.THydrogen-bonded Turntrans-80.4-12.1178.6-63.6-44.2000113.3N256N256-N258 PolarHBondContact O-N 3.17Å; N256-N258 VanDerWaalsContact O-N 3.17Å; N256-N258 WeakPolarHBondContact OD1-CB 3.47Å; N256-N258 PolarHBondContact OD1-N 2.86Å
259K88.2Confident92.1Very high103 Ų10370.5 Ų70.545%0.44836%0.364SS..EExtended strand (participates in β ladder)trans-139.764.4178.7-61.4-172.6-178.8-173.70109.8N256 P257 N261 K262N256-K259 HydrophobicContact CB-CB 4.31Å; N256-K259 CarbonylContact O-C 3.57Å; N256-K259 PolarHBondContact O-N 3.1Å; P257-K259 VanDerWaalsContact C-N 3.32Å; K259-N261 PolarHBondContact O-N 3.36Å; K259-K262 HydrophobicContact CB-CB 4.32Å; K259-K262 PolarHBondContact O-N 3.42Å
260P81.1Confident92.1Very high78 Ų7870.2 Ų70.251%0.50637%0.37SS..EExtended strand (participates in β ladder)trans-61.5-23.3-17225.2-34.9000113K216 K262K216-P260 PolarHBondContact NZ-O 2.82Å; P260-K262 VanDerWaalsContact C-N 3.34Å
261N85.1Confident92Very high116 Ų11670.3 Ų70.362%0.6237%0.372SS*.EExtended strand (participates in β ladder)trans-78.5-15.2178.1-65.7-18.5000113.9K259K259-N261 PolarHBondContact O-N 3.36Å
262K88.5Confident91.9Very high116 Ų11675 Ų7550%0.50439%0.391SS..EExtended strand (participates in β ladder)trans-107.5102.4-177.2-168.3163.6-172.5160.90110.7K259 P260K259-K262 HydrophobicContact CB-CB 4.32Å; K259-K262 PolarHBondContact O-N 3.42Å; P260-K262 VanDerWaalsContact C-N 3.34Å
263L93.3Very high91.8Very high12 Ų1271.9 Ų71.96%0.06338%0.378CS..EExtended strand (participates in β ladder)trans-82.1141.1170-175.6145.5000109.8L213 K216 Y217 V220 P253 L255 V265L213-L263 HydrophobicContact CD1-CD1 3.39Å; L213-L263 HydrophobicContact CG-CD1 4.46Å; K216-L263 HydrophobicContact CB-CB 4.14Å; K216-L263 HydrophobicContact CB-CD1 3.89Å; K216-L263 HydrophobicContact CD-CB 4.32Å; Y217-L263 HydrophobicContact CD2-CD2 4.14Å; V220-L263 HydrophobicContact CG2-CD2 3.93Å; P253-L263 HydrophobicContact CB-CD1 3.79Å; P253-L263 HydrophobicContact CB-CD2 4.26Å; P253-L263 HydrophobicContact CB-CG 4.13Å; L255-L263 HydrophobicContact CD2-CB 3.91Å; L255-L263 HydrophobicContact CD2-CD1 4.19Å; L255-L263 HydrophobicContact CD2-CG 4.24Å; L263-V265 HydrophobicContact CD2-CG2 3.85Å
264R94.1Very high91.6Very high156 Ų15680.8 Ų80.859%0.58941%0.411SS*.EExtended strand (participates in β ladder)trans-119.6136.2168.7-66.6-177.6179.7-90.98.3109.3V254V254-R264 PolarHBondContact N-O 2.91Å; V254-R264 PolarHBondContact O-N 3.41Å
265V95.3Very high91.5Very high9 Ų981 Ų816%0.05543%0.427CS..EExtended strand (participates in β ladder)trans-91.2118.1170.3177.80000108Y217 V220 Y224 H251 L263 F267Y217-V265 HydrophobicContact CD2-CG2 4.02Å; Y217-V265 HydrophobicContact CE2-CB 4.49Å; Y217-V265 HydrophobicContact CE2-CG1 4.29Å; Y217-V265 HydrophobicContact CE2-CG2 3.57Å; Y217-V265 WeakPolarHBondContact OH-CG1 3.49Å; V220-V265 HydrophobicContact CB-CG2 3.99Å; V220-V265 HydrophobicContact CG1-CB 4.12Å; V220-V265 HydrophobicContact CG1-CG2 3.58Å; Y224-V265 HydrophobicContact CE2-CB 4.29Å; H251-V265 HydrophobicContact CB-CG1 3.96Å; L263-V265 HydrophobicContact CD2-CG2 3.85Å; V265-F267 HydrophobicContact CG1-CE2 4.24Å; V265-F267 HydrophobicContact CG1-CZ 4.19Å
266V95.6Very high91.7Very high58 Ų5878 Ų7835%0.35241%0.411SS..EExtended strand (participates in β ladder)trans-97.6123.3177176.90000108.8H251 H252 V254H251-V266 CarbonylContact C-O 3.58Å; H251-V266 WeakPolarHBondContact CA-O 3.12Å; H252-V266 PolarHBondContact N-O 3.46Å; H252-V266 PolarHBondContact O-N 3.5Å; V254-V266 HydrophobicContact CB-CG2 4.2Å; V254-V266 HydrophobicContact CG2-CB 4.36Å; V254-V266 HydrophobicContact CG2-CG2 3.59Å
267F95.9Very high92Very high92 Ų9274.7 Ų74.740%0.40439%0.394SS..EExtended strand (participates in β ladder)trans-88.6108.4169-62.7-85.1000108.8Y224 L249 H251 V265 A269Y224-F267 HydrophobicContact CD2-CZ 4.35Å; Y224-F267 AromaticContact CE2-CE2 3.78Å; Y224-F267 HydrophobicContact CE2-CE2 3.78Å; Y224-F267 AromaticContact CE2-CZ 3.95Å; Y224-F267 HydrophobicContact CE2-CZ 3.95Å; L249-F267 HydrophobicContact CB-CB 4.31Å; L249-F267 HydrophobicContact CB-CD1 4.31Å; L249-F267 HydrophobicContact CD1-CB 4.2Å; H251-F267 HydrophobicContact CB-CD1 3.86Å; H251-F267 HydrophobicContact CB-CE1 4.05Å; V265-F267 HydrophobicContact CG1-CE2 4.24Å; V265-F267 HydrophobicContact CG1-CZ 4.19Å; F267-A269 PolarHBondContact O-N 2.84Å
268D95.4Very high92.3Very high36 Ų3670.4 Ų70.419%0.19337%0.365CS..  trans-80.982.5-173.5177.516.1000111R199 P250 A270 A271R199-D268 IonicContact CZ-OD2 3.56Å; R199-D268 IonicContact NH1-OD2 3.66Å; R199-D268 PolarHBondContact NH1-OD2 2.78Å; P250-D268 HydrophobicContact CG-CB 4.23Å; P250-D268 PolarHBondContact O-N 2.94Å; D268-A270 PolarHBondContact O-N 3.21Å; D268-A270 WeakPolarHBondContact OD1-CB 3.39Å; D268-A270 PolarHBondContact OD1-N 2.84Å; D268-A270 VanDerWaalsContact OD1-N 3.13Å; D268-A271 VanDerWaalsContact O-CB 3.3Å; D268-A271 WeakPolarHBondContact O-CB 3.31Å; D268-A271 PolarHBondContact O-N 3.47Å; D268-A271 PolarHBondContact OD1-N 2.98Å
269A93.8Very high92.5Very high17 Ų1767.8 Ų67.814%0.1435%0.35CS..THydrogen-bonded Turntrans-71.6-7.8173.600000113.8L249 F267 L278 N279L249-A269 HydrophobicContact CD2-CB 3.8Å; F267-A269 PolarHBondContact O-N 2.84Å; A269-L278 HydrophobicContact CB-CB 4.33Å; A269-L278 HydrophobicContact CB-CD2 4.28Å; A269-L278 PolarHBondContact O-N 2.67Å; A269-N279 VanDerWaalsContact CB-OD1 3.26Å; A269-N279 WeakPolarHBondContact CB-OD1 3.33Å; A269-N279 PolarHBondContact O-N 2.83Å; A269-N279 VanDerWaalsContact O-N 3.15Å
270A94.8Very high92.7Very high55 Ų5564.8 Ų64.846%0.45534%0.342SS..THydrogen-bonded Turntrans-86.9-14.2174.200000112.5D268 K272 S277D268-A270 PolarHBondContact O-N 3.21Å; D268-A270 WeakPolarHBondContact OD1-CB 3.39Å; D268-A270 PolarHBondContact OD1-N 2.84Å; D268-A270 VanDerWaalsContact OD1-N 3.13Å; A270-K272 PolarHBondContact O-N 3.17Å; A270-S277 WeakPolarHBondContact O-CB 3.5Å
271A93.8Very high93.3Very high10 Ų1063 Ų638%0.08333%0.327CS..  trans-54119.9176.800000111.2W247 P250 D268 S277W247-A271 WeakPolarHBondContact CZ2-O 3.41Å; P250-A271 HydrophobicContact CG-CB 3.48Å; P250-A271 VanDerWaalsContact CG-CB 3.48Å; D268-A271 VanDerWaalsContact O-CB 3.3Å; D268-A271 WeakPolarHBondContact O-CB 3.31Å; D268-A271 PolarHBondContact O-N 3.47Å; D268-A271 PolarHBondContact OD1-N 2.98Å; A271-S277 WeakPolarHBondContact O-CB 3.35Å
272K94.4Very high93.8Very high150 Ų15059.2 Ų59.265%0.65231%0.307SS*.  trans-87139.5178.4-66.2-176.3179.5-1760111.5A270 T276A270-K272 PolarHBondContact O-N 3.17Å; K272-T276 CarbonylContact C-O 3.57Å; K272-T276 WeakPolarHBondContact CA-O 3.32Å
273S92.5Very high94Very high9 Ų954.2 Ų54.26%0.06329%0.285CS..BIsolated β-bridgetrans-137.2133.6166.8-173.50000108.7N192 T195 G275 T276N192-S273 WeakPolarHBondContact CB-OG 3.13Å; T195-S273 PolarHBondContact OG1-OG 2.96Å; S273-G275 PolarHBondContact O-N 2.81Å; S273-G275 VanDerWaalsContact O-N 3.14Å; S273-T276 PolarHBondContact N-O 2.82Å; S273-T276 PolarHBondContact O-N 2.77Å; S273-T276 VanDerWaalsContact O-O 3.08Å
274R91.5Very high93.6Very high195 Ų19562.6 Ų62.674%0.73632%0.321SS*.THydrogen-bonded Turntrans49.340.8-179.2-63.3171176.2-154.210.7112.9P190 T276P190-R274 HydrophobicContact CB-CB 4.12Å; P190-R274 HydrophobicContact CG-CB 4Å; R274-T276 PolarHBondContact O-N 2.87Å
275G92.3Very high92.7Very high70 Ų7057 Ų5772%0.72231%0.312SS*.THydrogen-bonded Turntrans88.5-14.7175.300000116.6S273S273-G275 PolarHBondContact O-N 2.81Å; S273-G275 VanDerWaalsContact O-N 3.14Å
276T93.5Very high91.5Very high15 Ų1557.9 Ų57.99%0.09232%0.316CS..BIsolated β-bridgetrans-122.1163-178.5-166.70000112.5P190 W247 K272 S273 R274 S280 E281P190-T276 HydrophobicContact CG-CG2 3.52Å; W247-T276 HydrophobicContact CH2-CG2 4.33Å; W247-T276 WeakPolarHBondContact CH2-O 3.22Å; W247-T276 HydrophobicContact CZ3-CG2 4.39Å; K272-T276 CarbonylContact C-O 3.57Å; K272-T276 WeakPolarHBondContact CA-O 3.32Å; S273-T276 PolarHBondContact N-O 2.82Å; S273-T276 PolarHBondContact O-N 2.77Å; S273-T276 VanDerWaalsContact O-O 3.08Å; R274-T276 PolarHBondContact O-N 2.87Å; T276-S280 PolarHBondContact OG1-OG 3.24Å; T276-E281 PolarHBondContact OG1-OE1 3.06Å
277S94.5Very high90Very high6 Ų661.9 Ų61.94%0.04233%0.334CS..  trans-135.1164.416965.30000110.4A270 A271 N279 S280 E281A270-S277 WeakPolarHBondContact O-CB 3.5Å; A271-S277 WeakPolarHBondContact O-CB 3.35Å; S277-N279 VanDerWaalsContact C-N 3.28Å; S277-N279 PolarHBondContact O-N 3.3Å; S277-S280 PolarHBondContact N-OG 2.99Å; S277-S280 PolarHBondContact O-N 2.88Å; S277-S280 PolarHBondContact O-OG 3.34Å; S277-S280 PolarHBondContact OG-N 3.23Å; S277-S280 PolarHBondContact OG-OG 3.15Å; S277-E281 PolarHBondContact O-N 2.89Å
278L94.3Very high88.2Confident31 Ų3164.4 Ų64.416%0.16235%0.345CS..Hα-helixtrans-58-44.1177.4-178.462000111.3W182 L189 W247 L249 A269 S280 E281 L282W182-L278 HydrophobicContact CH2-CD1 3.82Å; W182-L278 HydrophobicContact CZ3-CD1 4.07Å; L189-L278 HydrophobicContact CD1-CD1 4.34Å; W247-L278 HydrophobicContact CG-CB 4.48Å; L249-L278 HydrophobicContact CD2-CD2 3.99Å; A269-L278 HydrophobicContact CB-CB 4.33Å; A269-L278 HydrophobicContact CB-CD2 4.28Å; A269-L278 PolarHBondContact O-N 2.67Å; L278-S280 PolarHBondContact O-N 2.76Å; L278-E281 PolarHBondContact O-N 3.22Å; L278-E281 VanDerWaalsContact O-N 3.12Å; L278-L282 HydrophobicContact CD1-CD1 4.5Å; L278-L282 HydrophobicContact CG-CD1 4.25Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.86Å
279N94.7Very high86.4Confident90 Ų9068.1 Ų68.148%0.48137%0.365SS..Hα-helixtrans-63.2-28.1177.2-73.4-6.1000113.2A269 S277A269-N279 VanDerWaalsContact CB-OD1 3.26Å; A269-N279 WeakPolarHBondContact CB-OD1 3.33Å; A269-N279 PolarHBondContact O-N 2.83Å; A269-N279 VanDerWaalsContact O-N 3.15Å; S277-N279 VanDerWaalsContact C-N 3.28Å; S277-N279 PolarHBondContact O-N 3.3Å
280S93.3Very high84.4Confident40 Ų4070.1 Ų70.128%0.2837%0.371SS..Hα-helixtrans-79.3-18.7176.561.80000113.7K183 T276 S277 L278K183-S280 VanDerWaalsContact CD-O 3.24Å; K183-S280 WeakPolarHBondContact CD-O 3.45Å; K183-S280 WeakPolarHBondContact CE-O 3.02Å; K183-S280 PolarHBondContact NZ-O 3.16Å; T276-S280 PolarHBondContact OG1-OG 3.24Å; S277-S280 PolarHBondContact N-OG 2.99Å; S277-S280 PolarHBondContact O-N 2.88Å; S277-S280 PolarHBondContact O-OG 3.34Å; S277-S280 PolarHBondContact OG-N 3.23Å; S277-S280 PolarHBondContact OG-OG 3.15Å; L278-S280 PolarHBondContact O-N 2.76Å
281E93.6Very high82.4Confident40 Ų4072.4 Ų72.419%0.18738%0.38CS..Hα-helixtrans-88.8-6.5174.4-63.8-56.6148.600113.3W182 K183 L189 T276 S277 L278W182-E281 CarbonylContact C-O 3.58Å; W182-E281 HydrophobicContact CE3-CB 4.21Å; W182-E281 HydrophobicContact CZ3-CB 4.02Å; K183-E281 PolarHBondContact N-O 2.67Å; L189-E281 HydrophobicContact CD2-CB 4.35Å; L189-E281 HydrophobicContact CD2-CG 3.63Å; T276-E281 PolarHBondContact OG1-OE1 3.06Å; S277-E281 PolarHBondContact O-N 2.89Å; L278-E281 PolarHBondContact O-N 3.22Å; L278-E281 VanDerWaalsContact O-N 3.12Å
282L94.4Very high80.5Confident36 Ų3678.4 Ų78.419%0.18841%0.409CS..BIsolated β-bridgetrans-102.4142.2175.9-63.5171.5000110.7L180 L181 W182 K183 L278L180-L282 HydrophobicContact CB-CD2 4.1Å; L181-L282 CarbonylContact O-C 3.59Å; L181-L282 VanDerWaalsContact O-CA 3.32Å; L181-L282 WeakPolarHBondContact O-CA 3.46Å; W182-L282 HydrophobicContact CD2-CD2 4.07Å; W182-L282 HydrophobicContact CE3-CD2 3.96Å; W182-L282 HydrophobicContact CZ3-CD2 4.28Å; K183-L282 WeakPolarHBondContact CE-O 3.49Å; L278-L282 HydrophobicContact CD1-CD1 4.5Å; L278-L282 HydrophobicContact CG-CD1 4.25Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.86Å
283L93Very high78.5Confident11 Ų1177 Ų776%0.05841%0.409CS..PPolyproline II helixtrans-71.2149.7170-64.4164.5000109.2D157 R160 A161 L181 W182 K183D157-L283 HydrophobicContact CB-CD2 3.66Å; R160-L283 HydrophobicContact CB-CD1 4.06Å; R160-L283 HydrophobicContact CG-CD1 4.16Å; A161-L283 HydrophobicContact CB-CB 4.43Å; A161-L283 HydrophobicContact CB-CD1 4.2Å; L181-L283 HydrophobicContact CB-CB 4.09Å; L181-L283 PolarHBondContact O-N 3.47Å; W182-L283 WeakPolarHBondContact O-CD1 3.16Å; K183-L283 HydrophobicContact CB-CD2 4.49Å; K183-L283 HydrophobicContact CG-CD2 3.77Å; K183-L283 HydrophobicContact CG-CG 3.93Å
284K85.2Confident76.5Confident188 Ų18878 Ų7882%0.81742%0.417SS*.PPolyproline II helixtrans-73.3129.6165-64.3179.9-177.2177.30107.1
285G75.8Confident74.6Confident38 Ų3873.7 Ų73.739%0.39240%0.402SS..PPolyproline II helixtrans-60.2159.2170.200000111.1I287G285-I287 PolarHBondContact O-N 3.05Å
286L69.5Low72.5Confident28 Ų2873.4 Ų73.415%0.14739%0.388CS..PPolyproline II helixtrans-62.5131.7174-152.479.1000109.2E158 L162 F288E158-L286 HydrophobicContact CB-CD1 3.55Å; E158-L286 HydrophobicContact CG-CD1 3.52Å; L162-L286 HydrophobicContact CD1-CD2 4.47Å; L162-L286 HydrophobicContact CD2-CD2 4.3Å; L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 HydrophobicContact CB-CZ 4.31Å; L286-F288 HydrophobicContact CD2-CD1 4.09Å; L286-F288 HydrophobicContact CD2-CE1 3.77Å; L286-F288 HydrophobicContact CD2-CZ 4.13Å; L286-F288 PolarHBondContact O-N 3.29Å
287I64Low70.1Confident142 Ų14281.3 Ų81.373%0.72842%0.418SS*.  trans-85.3100.3168.8-55.4176.6000106.1G285 L289G285-I287 PolarHBondContact O-N 3.05Å; I287-L289 HydrophobicContact CG2-CB 4.34Å; I287-L289 WeakPolarHBondContact CG2-O 3.37Å; I287-L289 PolarHBondContact O-N 3.43Å
288F58.8Low67.6Low145 Ų14584.1 Ų84.164%0.63644%0.435SS*.  trans-68.7-25.6177.8-70.8-79.2000112.7L286 Q290L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 HydrophobicContact CB-CZ 4.31Å; L286-F288 HydrophobicContact CD2-CD1 4.09Å; L286-F288 HydrophobicContact CD2-CE1 3.77Å; L286-F288 HydrophobicContact CD2-CZ 4.13Å; L286-F288 PolarHBondContact O-N 3.29Å; F288-Q290 PolarHBondContact O-N 3.42Å
289L56.4Low65.1Low115 Ų11585.7 Ų85.760%0.60245%0.448SS*.SBendtrans-74.2119.7174.8-63173000109.1I146 I287 T291I146-L289 HydrophobicContact CD1-CD2 4.25Å; I287-L289 HydrophobicContact CG2-CB 4.34Å; I287-L289 WeakPolarHBondContact CG2-O 3.37Å; I287-L289 PolarHBondContact O-N 3.43Å; L289-T291 PolarHBondContact O-N 3.39Å
290Q51.8Low62.4Low59 Ų5983.9 Ų83.928%0.27645%0.446SS..PPolyproline II helixtrans-50.4134.8166.3-100.4-179.311.800109.5G145 F288 L292 A294G145-Q290 PolarHBondContact O-OE1 3.25Å; F288-Q290 PolarHBondContact O-N 3.42Å; Q290-L292 PolarHBondContact O-N 3.09Å; Q290-A294 HydrophobicContact CB-CB 3.91Å; Q290-A294 HydrophobicContact CG-CB 4.01Å
291T52.9Low59.6Low103 Ų10385.3 Ų85.363%0.63246%0.46SS*.PPolyproline II helixtrans-48.1139.5175.1-49.50000109L289 L293 A294L289-T291 PolarHBondContact O-N 3.39Å; T291-L293 HydrophobicContact CG2-CB 4.35Å; T291-L293 HydrophobicContact CG2-CD1 4.4Å; T291-L293 CarbonylContact O-C 3.52Å; T291-L293 PolarHBondContact O-N 3.39Å; T291-A294 WeakPolarHBondContact O-CB 3.5Å; T291-A294 PolarHBondContact O-N 2.75Å
292L55.2Low56.8Low135 Ų13588.8 Ų88.871%0.70748%0.484SS*.Hα-helixtrans-49.9-25.4-178.4-154.6144.1000113.4Q290 Y295 C296Q290-L292 PolarHBondContact O-N 3.09Å; L292-Y295 WeakPolarHBondContact O-CB 3.23Å; L292-Y295 PolarHBondContact O-N 3.41Å; L292-C296 PolarHBondContact O-N 3.34Å; L292-C296 PolarHBondContact O-SG 2.89Å
293L51Low53.8Low121 Ų12192.9 Ų92.963%0.63451%0.51SS*.Hα-helixtrans-59.1-41.2170.2-74.1167.4000114T291 Y295 C296 Y297T291-L293 HydrophobicContact CG2-CB 4.35Å; T291-L293 HydrophobicContact CG2-CD1 4.4Å; T291-L293 CarbonylContact O-C 3.52Å; T291-L293 PolarHBondContact O-N 3.39Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; L293-C296 WeakPolarHBondContact O-CB 3.23Å; L293-C296 PolarHBondContact O-N 2.79Å; L293-Y297 WeakPolarHBondContact O-CD2 3.37Å; L293-Y297 PolarHBondContact O-N 2.89Å
294A51.2Low50.6Low30 Ų3099.6 Ų99.625%0.24854%0.543CS..Hα-helixtrans-67-36.5175.300000111.4Q290 T291 C296 Y297 V298Q290-A294 HydrophobicContact CB-CB 3.91Å; Q290-A294 HydrophobicContact CG-CB 4.01Å; T291-A294 WeakPolarHBondContact O-CB 3.5Å; T291-A294 PolarHBondContact O-N 2.75Å; A294-C296 PolarHBondContact O-N 2.91Å; A294-Y297 PolarHBondContact O-N 2.76Å; A294-V298 WeakPolarHBondContact O-CG2 3.15Å; A294-V298 PolarHBondContact O-N 2.81Å
295Y50.6Low47.7Very low104 Ų104101.9 Ų101.941%0.40855%0.546SS..Hα-helixtrans-59.2-43.6168.8-84.1-84.9000112.3I146 L292 L293 Y297 V298 S299I146-Y295 WeakPolarHBondContact CD1-OH 3.25Å; L292-Y295 WeakPolarHBondContact O-CB 3.23Å; L292-Y295 PolarHBondContact O-N 3.41Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; Y295-Y297 VanDerWaalsContact C-N 3.32Å; Y295-Y297 PolarHBondContact O-N 3.34Å; Y295-V298 PolarHBondContact O-N 3.42Å; Y295-S299 WeakPolarHBondContact O-CB 3.22Å; Y295-S299 PolarHBondContact O-N 3.02Å; Y295-S299 PolarHBondContact O-OG 3.19Å
296C48.4Very low45.5Very low65 Ų65106.4 Ų106.444%0.43957%0.566SS.*Hα-helixtrans-62.3-37.3175.2-68.70000112.3L292 L293 A294 S299 A300L292-C296 PolarHBondContact O-N 3.34Å; L292-C296 PolarHBondContact O-SG 2.89Å; L293-C296 WeakPolarHBondContact O-CB 3.23Å; L293-C296 PolarHBondContact O-N 2.79Å; A294-C296 PolarHBondContact O-N 2.91Å; C296-S299 WeakPolarHBondContact CA-OG 3.37Å; C296-S299 PolarHBondContact O-OG 3.16Å; C296-S299 VanDerWaalsContact O-OG 3.08Å; C296-A300 WeakPolarHBondContact O-CB 3.44Å; C296-A300 PolarHBondContact O-N 3.28Å
297Y43.5Very low43.3Very low181 Ų181110 Ų11071%0.7159%0.592SS**Hα-helixtrans-71-42.6176.9-93.8-84.8000113L293 A294 Y295 A300 A301L293-Y297 WeakPolarHBondContact O-CD2 3.37Å; L293-Y297 PolarHBondContact O-N 2.89Å; A294-Y297 PolarHBondContact O-N 2.76Å; Y295-Y297 VanDerWaalsContact C-N 3.32Å; Y295-Y297 PolarHBondContact O-N 3.34Å; Y297-A300 PolarHBondContact O-N 3.32Å; Y297-A301 WeakPolarHBondContact O-CB 3.41Å; Y297-A301 PolarHBondContact O-N 3.25Å
298V43.3Very low41.6Very low65 Ų65109.5 Ų109.539%0.39460%0.597SS.*Hα-helixtrans-67.3-41.4177.6175.60000111A294 Y295 A301 T302A294-V298 WeakPolarHBondContact O-CG2 3.15Å; A294-V298 PolarHBondContact O-N 2.81Å; Y295-V298 PolarHBondContact O-N 3.42Å; V298-A301 PolarHBondContact O-N 3.41Å; V298-T302 WeakPolarHBondContact O-CB 3.42Å; V298-T302 PolarHBondContact O-N 3.13Å; V298-T302 PolarHBondContact O-OG1 2.77Å
299S41.4Very low40Very low64 Ų64108.4 Ų108.445%0.44860%0.603SS.*Hα-helixtrans-65.5-41173.855.70000112.1Y295 C296 A301 T302 V303Y295-S299 WeakPolarHBondContact O-CB 3.22Å; Y295-S299 PolarHBondContact O-N 3.02Å; Y295-S299 PolarHBondContact O-OG 3.19Å; C296-S299 WeakPolarHBondContact CA-OG 3.37Å; C296-S299 PolarHBondContact O-OG 3.16Å; C296-S299 VanDerWaalsContact O-OG 3.08Å; S299-A301 PolarHBondContact O-N 3.34Å; S299-T302 PolarHBondContact O-N 3.06Å; S299-V303 WeakPolarHBondContact O-CB 3.39Å; S299-V303 WeakPolarHBondContact O-CG2 3.43Å; S299-V303 PolarHBondContact O-N 3.49Å
300A37.8Very low38.5Very low52 Ų52107.9 Ų107.943%0.4361%0.608SS.*Hα-helixtrans-64.1-38.3174.500000112.7C296 Y297C296-A300 WeakPolarHBondContact O-CB 3.44Å; C296-A300 PolarHBondContact O-N 3.28Å; Y297-A300 PolarHBondContact O-N 3.32Å
301A34.9Very low37.2Very low70 Ų70110.1 Ų110.158%0.57963%0.631SS**Hα-helixtrans-69.3-36.8176.100000112.4Y297 V298 S299 M304Y297-A301 WeakPolarHBondContact O-CB 3.41Å; Y297-A301 PolarHBondContact O-N 3.25Å; V298-A301 PolarHBondContact O-N 3.41Å; S299-A301 PolarHBondContact O-N 3.34Å; A301-M304 PolarHBondContact O-N 3.12Å
302T33.7Very low35.8Very low112 Ų112114.9 Ų114.969%0.68764%0.643SS**Hα-helixtrans-75.4-28.5178.3-500000112.2V298 S299 M304V298-T302 WeakPolarHBondContact O-CB 3.42Å; V298-T302 PolarHBondContact O-N 3.13Å; V298-T302 PolarHBondContact O-OG1 2.77Å; S299-T302 PolarHBondContact O-N 3.06Å; T302-M304 PolarHBondContact O-N 3.37Å
303V31.3Very low34.3Very low123 Ų123114.3 Ų114.375%0.74565%0.648SS**THydrogen-bonded Turntrans-71.7-8.8175.81710000112.6S299S299-V303 WeakPolarHBondContact O-CB 3.39Å; S299-V303 WeakPolarHBondContact O-CG2 3.43Å; S299-V303 PolarHBondContact O-N 3.49Å
304M25.6Very low32.9Very low151 Ų151119 Ų11974%0.74466%0.664SS**SBendtrans-101.885.1174.5-81.6-159.3-97.700113.2A301 T302A301-M304 PolarHBondContact O-N 3.12Å; T302-M304 PolarHBondContact O-N 3.37Å
305R24.7Very low31.6Very low236 Ų236124.2 Ų124.289%0.89169%0.693SS**  trans152.286139.5-88.1176.6175.9174.7-0.1110.2
306V29.1Very low30.3Very low133 Ų133129.3 Ų129.381%0.80672%0.718SS**  trans-129.8115.4148.6-175.60000106.3
307P25Very low29.2Very low105 Ų105131.7 Ų131.768%0.68274%0.735SS**  trans-59.9150.8173.5-13.526000110.1T309P307-T309 PolarHBondContact O-N 3.08Å
308P26.6Very low28.4Very low130 Ų130132.5 Ų132.584%0.84475%0.745SS**  trans-70.9101.9-172.228.9-32.9000110.8
309T26Very low27.6Very low123 Ų123139.9 Ų139.976%0.75577%0.767SS**  trans-11298.8153.249.90000108.5P307P307-T309 PolarHBondContact O-N 3.08Å
310S25.7Very low26.8Very low103 Ų103143.9 Ų143.972%0.7278%0.784SS**  trans3596.2157.2580000118.6
311S23.3Very low26.2Very low106 Ų106149.6 Ų149.674%0.74180%0.799SS**  trans46105.3130.934.70000119.9
312K24.7Very low25.6Very low203 Ų203155.5 Ų155.588%0.88381%0.811SS**  -177.3108.5116.1-96.4162.3-173.31780113.5
313C23.3Very low25.2Very low123 Ų123157 Ų15783%0.83182%0.821SS**  trans31.3118.4146-53.70000121.9
314F20.9Very low24.7Very low220 Ų220158 Ų15897%0.96582%0.815SS**  trans-89.6140.8157-74.5-92.3000110.7
315T23.9Very low24.5Very low140 Ų140158.9 Ų158.986%0.85982%0.818SS**  trans-124.5137.2166.845.40000111
316K23.1Very low24.4Very low211 Ų211158.3 Ų158.392%0.91782%0.815SS**  trans-84.2138.5-164.4-156.7174.8-176.8-178.40111
317S25.7Very low24Very low114 Ų114157.5 Ų157.580%0.79782%0.815SS**  trans-88.7130.317959.20000112
318E26Very low23.8Very low199 Ų199158.6 Ų158.693%0.9382%0.819SS**  trans-139.9138.5164.1-131.3168.3-16600111.1
319Y26.4Very low23.8Very low219 Ų219158.2 Ų158.286%0.85982%0.819SS**  trans-70.5142.2-170.5-101.6-102.5000112.9
320D25.8Very low23.7Very low149 Ų149158 Ų15880%0.79782%0.823SS**  trans-126.8135.5157.1-157.41.2000112.6
321K23.8Very low23.6Very low172 Ų172157.1 Ų157.175%0.74883%0.83SS**  trans-122107.3-179.2-84.3176.1175.7166.70107
322K23.7Very low23.7Very low193 Ų193155.8 Ų155.884%0.83983%0.833SS**  trans-172.1126.5154.9-98.4148.2-172.3-173.60106.5
323T24.8Very low23.9Very low144 Ų144150.8 Ų150.888%0.88382%0.815SS**  -163.7134.984.9-64.30000109.8
324F20.5Very low24.1Very low143 Ų143152.2 Ų152.263%0.62781%0.813SS**  trans-136118.3-174.9173.8-87.9000106.3
325Q22.6Very low24.4Very low171 Ų171148 Ų14880%0.79980%0.797SS**  trans-172.8150.5153.6-126.9157.5-26.700115.8
326R21.3Very low24.7Very low223 Ų223146.8 Ų146.884%0.84278%0.784SS**  trans84.7138.6160.6-67.6-178.8173.7173-1.8116.9
327C20.4Very low25Very low117 Ų117140.6 Ų140.679%0.79176%0.759SS**  cis-154.4156.6-0.9-104.60000109.2
328V21Very low25.2Very low127 Ų127141.4 Ų141.477%0.7775%0.749SS**  trans-111.2142.3-179.6167.60000108.3
329S26.4Very low25.4Very low122 Ų122136.5 Ų136.585%0.85374%0.737SS**  trans-131.8117.3166-52.90000110.4
330S24.1Very low25.7Very low120 Ų120132.6 Ų132.684%0.83973%0.73SS**  trans-55.9150.4176-38.70000115.6
331G24Very low26.2Very low83 Ų83131.1 Ų131.186%0.85673%0.726SS**  trans161.293153.100000115.3
332G25.2Very low26.3Very low78 Ų78129.7 Ų129.780%0.80473%0.726SS**  trans102.175.2152.200000117.5
333I30.1Very low26.8Very low99 Ų99126.6 Ų126.651%0.50872%0.724SS.*  trans-128.79.1169.7-60177.7000112.1E335I333-E335 VanDerWaalsContact C-N 3.26Å; I333-E335 PolarHBondContact O-N 2.98Å
334L26.9Very low27.1Very low152 Ų152133.1 Ų133.180%0.79674%0.74SS**THydrogen-bonded Turntrans-72.8-15.7-179.7-155.472.4000113.7
335E27.6Very low27.4Very low133 Ų133132.6 Ų132.662%0.62175%0.745SS**THydrogen-bonded Turntrans-91.2-16.1-178.7-83.1-60.5140.200114.6I333 K338I333-E335 VanDerWaalsContact C-N 3.26Å; I333-E335 PolarHBondContact O-N 2.98Å; E335-K338 IonicContact OE1-NZ 3.91Å; E335-K338 PolarHBondContact OE1-NZ 3.35Å
336L29Very low27.7Very low114 Ų114130.6 Ų130.660%0.59774%0.743SS**THydrogen-bonded Turntrans-79.5-29.9-178.2-109.1155.3000113.4K338 S339L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3.46Å; L336-S339 PolarHBondContact O-N 3.39Å
337M30Very low28.1Very low80 Ų80125.4 Ų125.439%0.39474%0.737SS.*G310 helixtrans-70.9-23.3-177.4-72.6-166.2-17100114.5V218 S339 L340V218-M337 HydrophobicContact CB-CE 3.42Å; V218-M337 VanDerWaalsContact CB-CE 3.42Å; V218-M337 HydrophobicContact CG1-CE 3.58Å; V218-M337 HydrophobicContact CG2-CE 3.28Å; V218-M337 HydrophobicContact CG2-SD 4.45Å; M337-S339 PolarHBondContact O-N 3.31Å; M337-L340 PolarHBondContact O-N 3.2Å
338K30.8Very low28.5Very low132 Ų132125.9 Ų125.957%0.57473%0.734SS**G310 helixtrans-68-20.4175.9-70.5177.1-172.91600112.4E335 L336E335-K338 IonicContact OE1-NZ 3.91Å; E335-K338 PolarHBondContact OE1-NZ 3.35Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3.46Å
339S28.9Very low29Very low96 Ų96125.9 Ų125.967%0.67173%0.732SS**G310 helixtrans-79.4-20.8179.9-170.10000114L336 M337L336-S339 PolarHBondContact O-N 3.39Å; M337-S339 PolarHBondContact O-N 3.31Å
340L32.9Very low29.2Very low136 Ų136126.1 Ų126.171%0.71272%0.724SS**THydrogen-bonded Turntrans-90-9.9-173.3-84.7162.4000114.5M337M337-L340 PolarHBondContact O-N 3.2Å
341V37.1Very low29.5Very low118 Ų118126.6 Ų126.672%0.71572%0.715SS**THydrogen-bonded Turntrans-111.4-10.1-173.9-179.10000113.4T343V341-T343 VanDerWaalsContact C-N 3.26Å; V341-T343 PolarHBondContact O-N 3.05Å
342N25.2Very low29.9Very low142 Ų142129.9 Ų129.976%0.75971%0.705SS**  trans-85.663.8174.2-83.4-21000112.4
343T34.2Very low30.3Very low129 Ų129134.3 Ų134.379%0.79170%0.696SS**  trans-130.399.7150.846.80000106.9V341V341-T343 VanDerWaalsContact C-N 3.26Å; V341-T343 PolarHBondContact O-N 3.05Å
344K31.3Very low30.4Very low280 Ų280137.5 Ų137.5100%1.21771%0.714SS**  trans-59.40175.9-79.8-178.9172.9178.50112.5

Retrieved 344 of 344 residues in 59 ms (Link to these results)

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