A0A087Y9H8_POEFO Loading...

Peroxisomal trans-2-enoyl-CoA reductase

Participates in chain elongation of fatty acids. Catalyzes the reduction of trans-2-enoyl-CoAs of varying chain lengths from 6:1 to 16:1, having maximum activity with 10:1 CoA. Has no 2,4-dienoyl-CoA reductase activity.

AlphaFold DB (A0A3B3UU39), UniProt , Accession A0A087Y9H8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M43.4Very low82.5Confident202 Ų20283.4 Ų83.4100%0.99548%0.475SS*.  0144.20-71.7-163.5-81.300107.8G282M1-G282 WeakPolarHBondContact O-CA 3.41Å
2A55.4Low83.8Confident51 Ų5176.4 Ų76.442%0.42144%0.436SS..PPolyproline II helixtrans-68.5152.7173.600000109.9S4 K61A2-S4 PolarHBondContact O-N 3.25Å; A2-K61 HydrophobicContact CB-CD 4.32Å
3A64.2Low84.9Confident25 Ų2575.9 Ų75.921%0.20743%0.431CS..PPolyproline II helixtrans-59.9131.6170.900000108.7E233 P280 Q281A3-E233 HydrophobicContact CB-CB 4.34Å; A3-E233 HydrophobicContact CB-CG 3.84Å; A3-P280 HydrophobicContact CB-CB 3.84Å; A3-Q281 VanDerWaalsContact CA-O 3.26Å; A3-Q281 WeakPolarHBondContact CA-O 3.17Å; A3-Q281 VanDerWaalsContact CB-O 3.24Å; A3-Q281 WeakPolarHBondContact CB-O 3.34Å; A3-Q281 PolarHBondContact N-O 2.99Å
4S80.4Confident85.8Confident97 Ų9779.9 Ų79.968%0.67844%0.444SS*.PPolyproline II helixtrans-75.9142.8173.8-174.10000109.8A2 E36A2-S4 PolarHBondContact O-N 3.25Å; S4-E36 PolarHBondContact OG-OE1 3.09Å
5S91.1Very high86.7Confident18 Ų1878.7 Ų78.713%0.12643%0.432CS..PPolyproline II helixtrans-64.8143.4177.3-171.20000111.8F7 E33 E36S5-F7 VanDerWaalsContact C-N 3.26Å; S5-F7 WeakPolarHBondContact OG-CD2 3.38Å; S5-F7 PolarHBondContact OG-N 3.35Å; S5-E33 PolarHBondContact OG-OE1 3.08Å; S5-E36 PolarHBondContact N-OE1 3.16Å
6V93.3Very high87.4Confident120 Ų12074.1 Ų74.173%0.72741%0.407SS*.SBendtrans-81.4-5.7173.9-61.60000113
7F96.1Very high88.1Confident49 Ų4969.8 Ų69.822%0.21538%0.383CS..SBendtrans-89.8159.7-177.2-63.6-74.4000112.6S5 L11 L37 S237 C240 F241S5-F7 VanDerWaalsContact C-N 3.26Å; S5-F7 WeakPolarHBondContact OG-CD2 3.38Å; S5-F7 PolarHBondContact OG-N 3.35Å; F7-L11 HydrophobicContact CB-CD2 4.02Å; F7-L11 HydrophobicContact CD1-CD2 4.23Å; F7-L11 HydrophobicContact CG-CD2 4.18Å; F7-L37 HydrophobicContact CB-CD1 3.94Å; F7-L37 HydrophobicContact CB-CD2 3.79Å; F7-L37 HydrophobicContact CD2-CD1 4.01Å; F7-L37 HydrophobicContact CG-CD1 4.31Å; F7-S237 WeakPolarHBondContact CE2-O 3.47Å; F7-S237 VanDerWaalsContact CZ-O 3.29Å; F7-S237 WeakPolarHBondContact CZ-O 3.03Å; F7-C240 HydrophobicContact CD2-CB 4.03Å; F7-C240 HydrophobicContact CE2-CB 3.69Å; F7-C240 HydrophobicContact CZ-CB 4.36Å; F7-F241 HydrophobicContact CE1-CB 4.2Å; F7-F241 HydrophobicContact CZ-CB 3.87Å
8R95.3Very high88.7Confident183 Ų18366 Ų6669%0.69136%0.362SS*.PPolyproline II helixtrans-59.1130.9176-176.1-177.966.9-166-1.1110.4L11R8-L11 WeakPolarHBondContact O-CB 3.44Å; R8-L11 PolarHBondContact O-N 2.93Å
9P94.3Very high89.2Confident112 Ų11262.5 Ų62.573%0.72734%0.343SS*.THydrogen-bonded Turntrans-52.1141.4173.5-28.335.5000112.8L11P9-L11 VanDerWaalsContact C-N 3.29Å; P9-L11 PolarHBondContact O-N 2.87Å
10G95.6Very high89.7Confident25 Ų2559.5 Ų59.526%0.25833%0.327SS..THydrogen-bonded Turntrans71.715.8179.400000115.4F12 N13 L37G10-F12 PolarHBondContact O-N 3.21Å; G10-F12 VanDerWaalsContact O-N 3.09Å; G10-N13 VanDerWaalsContact CA-OD1 3.32Å; G10-N13 WeakPolarHBondContact CA-OD1 3.38Å; G10-N13 PolarHBondContact O-N 3.07Å; G10-N13 VanDerWaalsContact O-N 3.16Å; G10-L37 CarbonylContact C-O 3.27Å; G10-L37 VanDerWaalsContact C-O 3.27Å; G10-L37 WeakPolarHBondContact CA-O 3.47Å
11L97.9Very high90.1Very high35 Ų3557.2 Ų57.218%0.18332%0.317CS..THydrogen-bonded Turntrans-51.3-32177.2-177.561000113.2F7 R8 P9 L37F7-L11 HydrophobicContact CB-CD2 4.02Å; F7-L11 HydrophobicContact CD1-CD2 4.23Å; F7-L11 HydrophobicContact CG-CD2 4.18Å; R8-L11 WeakPolarHBondContact O-CB 3.44Å; R8-L11 PolarHBondContact O-N 2.93Å; P9-L11 VanDerWaalsContact C-N 3.29Å; P9-L11 PolarHBondContact O-N 2.87Å; L11-L37 HydrophobicContact CB-CB 4.45Å; L11-L37 HydrophobicContact CB-CD2 4.46Å; L11-L37 PolarHBondContact N-O 2.76Å
12F98.4Very high92.7Very high0 Ų047.6 Ų47.60%027%0.27CS..THydrogen-bonded Turntrans-117.623.1-176.9-59.4-60.2000113.5G10 H14 K15 L34 L37 G38 C39 Y99 C240 L243G10-F12 PolarHBondContact O-N 3.21Å; G10-F12 VanDerWaalsContact O-N 3.09Å; F12-H14 PolarHBondContact O-N 3.06Å; F12-K15 HydrophobicContact CB-CB 4.28Å; F12-K15 HydrophobicContact CB-CG 4.34Å; F12-K15 VanDerWaalsContact O-CB 3.23Å; F12-K15 WeakPolarHBondContact O-CB 3.42Å; F12-K15 WeakPolarHBondContact O-CG 3.2Å; F12-K15 PolarHBondContact O-N 3.06Å; F12-L34 HydrophobicContact CD2-CD2 3.7Å; F12-L34 HydrophobicContact CE2-CD2 3.7Å; F12-L34 HydrophobicContact CG-CD2 4.32Å; F12-L34 HydrophobicContact CZ-CD2 4.3Å; F12-L37 HydrophobicContact CD2-CB 3.6Å; F12-L37 HydrophobicContact CD2-CD1 3.97Å; F12-L37 HydrophobicContact CD2-CG 4.48Å; F12-L37 HydrophobicContact CE2-CB 4.24Å; F12-L37 HydrophobicContact CE2-CD1 3.72Å; F12-L37 PolarHBondContact N-O 3.27Å; F12-G38 CarbonylContact O-C 3.36Å; F12-G38 VanDerWaalsContact O-O 3.13Å; F12-C39 HydrophobicContact CB-CB 3.64Å; F12-C39 HydrophobicContact CG-CB 4.45Å; F12-C39 WeakPolarHBondContact O-CA 3.41Å; F12-C39 PolarHBondContact O-N 2.95Å; F12-Y99 AromaticContact CD1-CE2 3.59Å; F12-Y99 HydrophobicContact CD1-CE2 3.59Å; F12-Y99 AromaticContact CD1-CZ 3.78Å; F12-Y99 WeakPolarHBondContact CD1-OH 3.15Å; F12-Y99 HydrophobicContact CE1-CE2 4.08Å; F12-Y99 HydrophobicContact CG-CE2 4.28Å; F12-C240 HydrophobicContact CE2-CB 4.15Å; F12-C240 HydrophobicContact CZ-CB 4.44Å; F12-C240 WeakPolarHBondContact CZ-O 3.47Å; F12-L243 HydrophobicContact CE1-CB 4.09Å; F12-L243 HydrophobicContact CZ-CB 4.02Å
13N98Very high94.6Very high70 Ų7045.6 Ų45.637%0.37425%0.254SS..THydrogen-bonded Turntrans-50.9132.3176.1-81.5-4.2000111.6G10 K15 G38 P67G10-N13 VanDerWaalsContact CA-OD1 3.32Å; G10-N13 WeakPolarHBondContact CA-OD1 3.38Å; G10-N13 PolarHBondContact O-N 3.07Å; G10-N13 VanDerWaalsContact O-N 3.16Å; N13-K15 PolarHBondContact O-N 3.07Å; N13-G38 WeakPolarHBondContact CA-O 3.42Å; N13-G38 WeakPolarHBondContact OD1-CA 3.35Å; N13-P67 HydrophobicContact CB-CG 4.1Å; N13-P67 WeakPolarHBondContact OD1-CD 3.4Å; N13-P67 WeakPolarHBondContact OD1-CG 3.22Å
14H97.8Very high96.1Very high132 Ų13247 Ų4761%0.61126%0.26SS*.THydrogen-bonded Turntrans62.919.9179.1-44.8-66.6000115F12F12-H14 PolarHBondContact O-N 3.06Å
15K98.8Very high96.8Very high62 Ų6243 Ų4327%0.2724%0.235SC..  trans-96.9155.3171.7-58.5-65.6-177.4-177.60111.6F12 N13 C39 S40 D98 Y99F12-K15 HydrophobicContact CB-CB 4.28Å; F12-K15 HydrophobicContact CB-CG 4.34Å; F12-K15 VanDerWaalsContact O-CB 3.23Å; F12-K15 WeakPolarHBondContact O-CB 3.42Å; F12-K15 WeakPolarHBondContact O-CG 3.2Å; F12-K15 PolarHBondContact O-N 3.06Å; N13-K15 PolarHBondContact O-N 3.07Å; K15-C39 PolarHBondContact O-SG 3.44Å; K15-C39 VanDerWaalsContact O-SG 3.39Å; K15-S40 PolarHBondContact O-N 2.88Å; K15-D98 WeakPolarHBondContact CA-OD2 3.2Å; K15-D98 HydrophobicContact CB-CB 4.3Å; K15-D98 HydrophobicContact CD-CB 3.95Å; K15-D98 WeakPolarHBondContact CD-OD1 3.37Å; K15-D98 IonicContact NZ-OD1 2.98Å; K15-D98 PolarHBondContact NZ-OD1 3.4Å; K15-Y99 HydrophobicContact CB-CD2 4.16Å; K15-Y99 HydrophobicContact CB-CE2 3.42Å; K15-Y99 VanDerWaalsContact CB-CE2 3.42Å; K15-Y99 HydrophobicContact CD-CE2 4.28Å; K15-Y99 HydrophobicContact CG-CE2 3.78Å
16V98.9Very high97.1Very high5 Ų543.7 Ų43.73%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-125.4123.4179.6-177.20000110.2S40 V90 Y94 R96 D98 Y99V16-S40 CarbonylContact C-O 3.53Å; V16-S40 WeakPolarHBondContact CA-O 3.43Å; V16-V90 HydrophobicContact CG1-CG1 3.87Å; V16-Y94 HydrophobicContact CG1-CD2 4.13Å; V16-Y94 HydrophobicContact CG1-CG 4.05Å; V16-Y94 HydrophobicContact CG2-CD1 4.09Å; V16-Y94 HydrophobicContact CG2-CG 4.04Å; V16-R96 HydrophobicContact CB-CG 4.03Å; V16-R96 HydrophobicContact CG2-CG 3.48Å; V16-R96 VanDerWaalsContact CG2-CG 3.48Å; V16-D98 PolarHBondContact N-OD2 3.4Å; V16-D98 PolarHBondContact O-N 3.39Å; V16-Y99 PolarHBondContact O-N 2.59Å
17A98.9Very high97.3Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-113.9140.1177.300000111.9L34 S40 V41 V42 Y99A17-L34 HydrophobicContact CB-CD1 3.84Å; A17-S40 PolarHBondContact N-O 3.46Å; A17-V41 HydrophobicContact CB-CG2 4.44Å; A17-V41 CarbonylContact O-C 3.6Å; A17-V41 WeakPolarHBondContact O-CA 3.18Å; A17-V42 PolarHBondContact O-N 2.87Å; A17-Y99 CarbonylContact C-O 3.55Å; A17-Y99 VanDerWaalsContact CA-O 3.31Å; A17-Y99 WeakPolarHBondContact CA-O 3.4Å; A17-Y99 HydrophobicContact CB-CD2 4.21Å
18I98.9Very high97.4Very high2 Ų238.1 Ų38.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-101.3125.6162-59.8177.7000107.9T20 V42 L86 V87 V90 I97 Y99 L100 V101 V138I18-T20 HydrophobicContact CG2-CG2 4.5Å; I18-V42 WeakPolarHBondContact CA-O 3.23Å; I18-V42 HydrophobicContact CG1-CB 4.42Å; I18-L86 HydrophobicContact CG2-CD2 4.21Å; I18-V87 HydrophobicContact CD1-CG2 4.31Å; I18-V90 HydrophobicContact CD1-CB 4.24Å; I18-V90 HydrophobicContact CD1-CG1 4.28Å; I18-V90 HydrophobicContact CD1-CG2 3.87Å; I18-V90 HydrophobicContact CG1-CG1 4.28Å; I18-V90 HydrophobicContact CG1-CG2 4.08Å; I18-I97 HydrophobicContact CD1-CD1 3.82Å; I18-I97 HydrophobicContact CD1-CG1 4.29Å; I18-I97 HydrophobicContact CD1-CG2 4.18Å; I18-I97 HydrophobicContact CG1-CG2 4.34Å; I18-Y99 PolarHBondContact N-O 2.94Å; I18-L100 HydrophobicContact CB-CD1 4.03Å; I18-L100 HydrophobicContact CG2-CD1 4.06Å; I18-V101 PolarHBondContact O-N 3.49Å; I18-V138 HydrophobicContact CD1-CG1 4.28Å
19V98.9Very high97.5Very high0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-120.1104.2175.8-173.80000109.4G22 I30 L34 V41 V42 S44 V101V19-G22 PolarHBondContact O-N 2.88Å; V19-I30 HydrophobicContact CG1-CG2 4.47Å; V19-I30 HydrophobicContact CG2-CG2 4.38Å; V19-L34 HydrophobicContact CG2-CD1 4.14Å; V19-V41 HydrophobicContact CB-CG1 4.4Å; V19-V41 HydrophobicContact CG2-CG1 3.78Å; V19-V42 PolarHBondContact N-O 3.38Å; V19-S44 PolarHBondContact O-N 3.38Å; V19-V101 HydrophobicContact CB-CB 4.5Å; V19-V101 HydrophobicContact CG1-CB 4.23Å; V19-V101 HydrophobicContact CG1-CG1 4.41Å; V19-V101 HydrophobicContact CG2-CB 4.18Å; V19-V101 HydrophobicContact CG2-CG2 4.33Å
20T98.8Very high97.7Very high1 Ų124.6 Ų24.61%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-74139.5173.965.20000109.6I18 G22 S44 I77 V101 N102 N103 G104I18-T20 HydrophobicContact CG2-CG2 4.5Å; T20-G22 PolarHBondContact O-N 3.22Å; T20-S44 CarbonylContact C-O 3.52Å; T20-S44 WeakPolarHBondContact CA-O 3.38Å; T20-I77 HydrophobicContact CG2-CG2 4.07Å; T20-V101 PolarHBondContact N-O 3.44Å; T20-V101 PolarHBondContact OG1-O 3.33Å; T20-N102 WeakPolarHBondContact OG1-CA 3.38Å; T20-N103 CarbonylContact O-C 3.15Å; T20-N103 VanDerWaalsContact O-C 3.31Å; T20-N103 WeakPolarHBondContact O-CA 3.33Å; T20-N103 WeakPolarHBondContact O-CB 3.38Å; T20-N103 PolarHBondContact O-N 3.02Å; T20-N103 PolarHBondContact O-ND2 2.83Å; T20-N103 PolarHBondContact OG1-N 3.08Å; T20-N103 VanDerWaalsContact OG1-N 3.07Å; T20-G104 VanDerWaalsContact C-N 3.31Å; T20-G104 PolarHBondContact O-N 3.19Å; T20-G104 PolarHBondContact OG1-N 3.47Å
21G97.8Very high97.8Very high13 Ų1323.4 Ų23.413%0.13413%0.127CC..THydrogen-bonded Turntrans64.419.8-168.200000114.3G23 S44 N103G21-G23 PolarHBondContact O-N 3.11Å; G21-G23 VanDerWaalsContact O-N 3.07Å; G21-S44 PolarHBondContact N-O 3.18Å; G21-N103 PolarHBondContact O-ND2 2.78Å
22G97.6Very high97.8Very high0 Ų023.5 Ų23.50%013%0.133CC..THydrogen-bonded Turntrans-68.6-2.3-172.500000116.8V19 T20 G27 K28 S31V19-G22 PolarHBondContact O-N 2.88Å; T20-G22 PolarHBondContact O-N 3.22Å; G22-G27 CarbonylContact O-C 3.48Å; G22-K28 VanDerWaalsContact O-CA 3.28Å; G22-K28 WeakPolarHBondContact O-CA 2.94Å; G22-K28 PolarHBondContact O-N 3.26Å; G22-S31 PolarHBondContact O-OG 3.25Å
23G96Very high97.8Very high9 Ų924 Ų249%0.09314%0.135CC..THydrogen-bonded Turntrans-90.5-10.3-177.800000115.5G21 A54G21-G23 PolarHBondContact O-N 3.11Å; G21-G23 VanDerWaalsContact O-N 3.07Å; G23-A54 WeakPolarHBondContact O-CB 3.44Å
24T94.7Very high97.8Very high53 Ų5320.6 Ų20.633%0.32512%0.117SC..SBendtrans-144154.2-172.258.40000113.1I26 G27 K28 T204T24-I26 PolarHBondContact O-N 3.12Å; T24-G27 PolarHBondContact O-N 2.68Å; T24-G27 VanDerWaalsContact O-N 3.16Å; T24-K28 PolarHBondContact O-N 3.41Å; T24-K28 VanDerWaalsContact O-N 3.15Å; T24-T204 HydrophobicContact CG2-CG2 3.97Å
25G95.1Very high97.8Very high14 Ų1414.5 Ų14.514%0.1449%0.089CC..Hα-helixtrans50-130.717100000113.4G27 K28 A29G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.13Å; G25-K28 PolarHBondContact O-N 2.79Å; G25-K28 VanDerWaalsContact O-N 3.15Å; G25-A29 PolarHBondContact O-N 2.73Å; G25-A29 VanDerWaalsContact O-N 3.13Å
26I97.8Very high97.6Very high32 Ų3214.9 Ų14.916%0.1649%0.091CC..Hα-helixtrans-53.1-47.5177.3-67.7171.2000111.9T24 K28 A29 I30 P197 I200 I235T24-I26 PolarHBondContact O-N 3.12Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.19Å; I26-A29 PolarHBondContact O-N 2.95Å; I26-I30 HydrophobicContact CG2-CD1 3.59Å; I26-I30 HydrophobicContact CG2-CG1 4.33Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 3.32Å; I26-P197 HydrophobicContact CD1-CB 4.15Å; I26-P197 HydrophobicContact CD1-CG 3.95Å; I26-I200 HydrophobicContact CD1-CB 4.21Å; I26-I200 HydrophobicContact CD1-CG1 4.27Å; I26-I200 HydrophobicContact CD1-CG2 4.26Å; I26-I200 HydrophobicContact CG1-CG2 4.11Å; I26-I235 HydrophobicContact CD1-CG1 4.2Å; I26-I235 HydrophobicContact CG1-CG1 4.25Å; I26-I235 HydrophobicContact CG2-CB 4.12Å; I26-I235 HydrophobicContact CG2-CG2 3.62Å
27G98.1Very high97.5Very high0 Ų014.7 Ų14.70%09%0.09CC..Hα-helixtrans-61.2-35.4-179.900000113.4G22 T24 G25 S31 N103G22-G27 CarbonylContact O-C 3.48Å; T24-G27 PolarHBondContact O-N 2.68Å; T24-G27 VanDerWaalsContact O-N 3.16Å; G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.13Å; G27-S31 WeakPolarHBondContact O-CB 3.43Å; G27-S31 PolarHBondContact O-N 2.87Å; G27-S31 PolarHBondContact O-OG 3.06Å; G27-N103 WeakPolarHBondContact CA-ND2 3.05Å
28K97.4Very high97.5Very high52 Ų5214.8 Ų14.823%0.2269%0.091CC..Hα-helixtrans-69-43.1175.5-173.1-179.7176.2-173.40111.7G22 T24 G25 I26 S31 A32 E57 M58G22-K28 VanDerWaalsContact O-CA 3.28Å; G22-K28 WeakPolarHBondContact O-CA 2.94Å; G22-K28 PolarHBondContact O-N 3.26Å; T24-K28 PolarHBondContact O-N 3.41Å; T24-K28 VanDerWaalsContact O-N 3.15Å; G25-K28 PolarHBondContact O-N 2.79Å; G25-K28 VanDerWaalsContact O-N 3.15Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.19Å; K28-S31 PolarHBondContact O-N 3.23Å; K28-A32 VanDerWaalsContact O-CB 3.31Å; K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 2.98Å; K28-E57 WeakPolarHBondContact CE-OE2 3.34Å; K28-E57 IonicContact NZ-OE2 3.19Å; K28-E57 PolarHBondContact NZ-OE2 3.48Å; K28-M58 HydrophobicContact CG-CE 4.38Å
29A97.4Very high97.4Very high11 Ų1114.7 Ų14.79%0.0919%0.09CC..Hα-helixtrans-62.2-44.5176.500000111.5G25 I26 S31 A32 E33 P232G25-A29 PolarHBondContact O-N 2.73Å; G25-A29 VanDerWaalsContact O-N 3.13Å; I26-A29 PolarHBondContact O-N 2.95Å; A29-S31 VanDerWaalsContact C-N 3.35Å; A29-S31 PolarHBondContact O-N 2.66Å; A29-A32 PolarHBondContact O-N 3.5Å; A29-E33 WeakPolarHBondContact O-CB 3.49Å; A29-E33 PolarHBondContact O-N 3.29Å; A29-P232 HydrophobicContact CB-CB 3.5Å; A29-P232 VanDerWaalsContact CB-CB 3.5Å
30I98.7Very high97.4Very high0 Ų015.3 Ų15.30%010%0.095CC..Hα-helixtrans-58.3-47.6174-66.4163.1000110.9V19 I26 A32 E33 L34 V101 I153 V239V19-I30 HydrophobicContact CG1-CG2 4.47Å; V19-I30 HydrophobicContact CG2-CG2 4.38Å; I26-I30 HydrophobicContact CG2-CD1 3.59Å; I26-I30 HydrophobicContact CG2-CG1 4.33Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 3.32Å; I30-A32 PolarHBondContact O-N 3.29Å; I30-E33 PolarHBondContact O-N 3.47Å; I30-L34 HydrophobicContact CG2-CD1 3.97Å; I30-L34 HydrophobicContact CG2-CG 4.48Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 WeakPolarHBondContact O-CG 3.36Å; I30-L34 PolarHBondContact O-N 2.97Å; I30-V101 HydrophobicContact CD1-CG1 4.09Å; I30-V101 HydrophobicContact CG2-CG1 4.31Å; I30-V101 HydrophobicContact CG2-CG2 4.23Å; I30-I153 HydrophobicContact CD1-CD1 4.06Å; I30-I153 HydrophobicContact CD1-CG1 4.22Å; I30-V239 HydrophobicContact CD1-CB 4.4Å; I30-V239 HydrophobicContact CD1-CG1 4.37Å; I30-V239 HydrophobicContact CD1-CG2 3.85Å; I30-V239 HydrophobicContact CG1-CB 4.21Å; I30-V239 HydrophobicContact CG1-CG1 4.31Å; I30-V239 HydrophobicContact CG1-CG2 4.11Å; I30-V239 HydrophobicContact CG2-CG1 3.89Å
31S98.6Very high97.4Very high0 Ų015.2 Ų15.20%010%0.095CC..Hα-helixtrans-63.5-43.1-179.3-56.90000111.6G22 G27 K28 A29 L35 I43G22-S31 PolarHBondContact O-OG 3.25Å; G27-S31 WeakPolarHBondContact O-CB 3.43Å; G27-S31 PolarHBondContact O-N 2.87Å; G27-S31 PolarHBondContact O-OG 3.06Å; K28-S31 PolarHBondContact O-N 3.23Å; A29-S31 VanDerWaalsContact C-N 3.35Å; A29-S31 PolarHBondContact O-N 2.66Å; S31-L35 WeakPolarHBondContact O-CD1 3.44Å; S31-L35 WeakPolarHBondContact O-CG 3.22Å; S31-L35 PolarHBondContact O-N 3.4Å; S31-L35 VanDerWaalsContact O-N 3.08Å; S31-I43 VanDerWaalsContact OG-CG2 3.31Å; S31-I43 WeakPolarHBondContact OG-CG2 3.32Å
32A97.1Very high97.5Very high37 Ų3714.6 Ų14.631%0.3069%0.088SC..Hα-helixtrans-64.2-45.9178.900000112.1K28 A29 I30 L35 E36 M58K28-A32 VanDerWaalsContact O-CB 3.31Å; K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 2.98Å; A29-A32 PolarHBondContact O-N 3.5Å; I30-A32 PolarHBondContact O-N 3.29Å; A32-L35 PolarHBondContact O-N 3.32Å; A32-E36 PolarHBondContact O-N 3.43Å; A32-M58 HydrophobicContact CB-CG 4.43Å; A32-M58 HydrophobicContact CB-SD 4.44Å
33E97.6Very high97.6Very high10 Ų1014.6 Ų14.65%0.0479%0.088CC..Hα-helixtrans-67.9-38.2179.8-168.1172.1-170.800111.9S5 A29 I30 L35 E36 L37 S236 S237S5-E33 PolarHBondContact OG-OE1 3.08Å; A29-E33 WeakPolarHBondContact O-CB 3.49Å; A29-E33 PolarHBondContact O-N 3.29Å; I30-E33 PolarHBondContact O-N 3.47Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.21Å; E33-E36 PolarHBondContact O-N 3.43Å; E33-L37 HydrophobicContact CG-CD1 4.05Å; E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.3Å; E33-L37 PolarHBondContact O-N 3.1Å; E33-S236 WeakPolarHBondContact OE2-CB 3.37Å; E33-S236 PolarHBondContact OE2-OG 3.18Å; E33-S237 PolarHBondContact OE1-OG 2.86Å; E33-S237 VanDerWaalsContact OE1-OG 3.13Å; E33-S237 WeakPolarHBondContact OE2-CA 3.18Å; E33-S237 PolarHBondContact OE2-N 2.82Å; E33-S237 PolarHBondContact OE2-OG 3.3Å
34L98.5Very high97.7Very high0 Ų014.2 Ų14.20%08%0.084CC..Hα-helixtrans-60.3-41.8172.8-77.6175.1000112.1F12 A17 V19 I30 L37 G38 C39 V41 L243F12-L34 HydrophobicContact CD2-CD2 3.7Å; F12-L34 HydrophobicContact CE2-CD2 3.7Å; F12-L34 HydrophobicContact CG-CD2 4.32Å; F12-L34 HydrophobicContact CZ-CD2 4.3Å; A17-L34 HydrophobicContact CB-CD1 3.84Å; V19-L34 HydrophobicContact CG2-CD1 4.14Å; I30-L34 HydrophobicContact CG2-CD1 3.97Å; I30-L34 HydrophobicContact CG2-CG 4.48Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 WeakPolarHBondContact O-CG 3.36Å; I30-L34 PolarHBondContact O-N 2.97Å; L34-L37 CarbonylContact O-C 3.59Å; L34-L37 PolarHBondContact O-N 3.23Å; L34-G38 PolarHBondContact O-N 3.23Å; L34-C39 HydrophobicContact CB-CB 3.97Å; L34-C39 HydrophobicContact CD2-CB 4.36Å; L34-C39 WeakPolarHBondContact O-CB 3.16Å; L34-C39 PolarHBondContact O-N 3.08Å; L34-V41 HydrophobicContact CB-CG2 3.66Å; L34-V41 HydrophobicContact CD1-CG2 4.37Å; L34-L243 HydrophobicContact CD1-CD1 4.22Å; L34-L243 HydrophobicContact CD2-CD1 3.83Å
35L98.1Very high97.8Very high4 Ų413.3 Ų13.32%0.0218%0.08CC..Hα-helixtrans-66.1-43.9176.8-70.4163.7000111.8S31 A32 E33 L37 G38 C39 V41 M58 I62 A68 V70S31-L35 WeakPolarHBondContact O-CD1 3.44Å; S31-L35 WeakPolarHBondContact O-CG 3.22Å; S31-L35 PolarHBondContact O-N 3.4Å; S31-L35 VanDerWaalsContact O-N 3.08Å; A32-L35 PolarHBondContact O-N 3.32Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.21Å; L35-L37 PolarHBondContact O-N 2.99Å; L35-G38 PolarHBondContact O-N 3.16Å; L35-G38 VanDerWaalsContact O-N 3.1Å; L35-C39 WeakPolarHBondContact CD2-O 3.35Å; L35-V41 HydrophobicContact CD2-CB 3.97Å; L35-V41 HydrophobicContact CD2-CG2 3.84Å; L35-V41 HydrophobicContact CG-CB 4.11Å; L35-V41 HydrophobicContact CG-CG2 3.75Å; L35-M58 HydrophobicContact CD1-CB 3.76Å; L35-M58 HydrophobicContact CD1-CG 4.18Å; L35-M58 HydrophobicContact CD1-SD 3.78Å; L35-I62 HydrophobicContact CB-CG1 4.22Å; L35-I62 HydrophobicContact CD1-CD1 4.46Å; L35-I62 HydrophobicContact CD2-CD1 3.88Å; L35-I62 HydrophobicContact CD2-CG1 4.46Å; L35-A68 HydrophobicContact CD2-CB 4.2Å; L35-A68 WeakPolarHBondContact O-CB 3.49Å; L35-V70 HydrophobicContact CD1-CB 3.86Å; L35-V70 HydrophobicContact CD1-CG1 4.47Å; L35-V70 HydrophobicContact CD1-CG2 4.25Å; L35-V70 HydrophobicContact CD2-CB 3.93Å
36E95.6Very high97.8Very high69 Ų6921 Ų2132%0.32210%0.104SC..Hα-helixtrans-57.3-38175.1-177178165.200111.2S4 S5 A32 E33 G38S4-E36 PolarHBondContact OG-OE1 3.09Å; S5-E36 PolarHBondContact N-OE1 3.16Å; A32-E36 PolarHBondContact O-N 3.43Å; E33-E36 PolarHBondContact O-N 3.43Å; E36-G38 VanDerWaalsContact C-N 3.3Å; E36-G38 PolarHBondContact O-N 3.46Å
37L96.9Very high97.6Very high2 Ų224.7 Ų24.71%0.0112%0.119CC..THydrogen-bonded Turntrans-86.38.5179.7-65.7174.3000114.5F7 G10 L11 F12 E33 L34 L35 C240F7-L37 HydrophobicContact CB-CD1 3.94Å; F7-L37 HydrophobicContact CB-CD2 3.79Å; F7-L37 HydrophobicContact CD2-CD1 4.01Å; F7-L37 HydrophobicContact CG-CD1 4.31Å; G10-L37 CarbonylContact C-O 3.27Å; G10-L37 VanDerWaalsContact C-O 3.27Å; G10-L37 WeakPolarHBondContact CA-O 3.47Å; L11-L37 HydrophobicContact CB-CB 4.45Å; L11-L37 HydrophobicContact CB-CD2 4.46Å; L11-L37 PolarHBondContact N-O 2.76Å; F12-L37 HydrophobicContact CD2-CB 3.6Å; F12-L37 HydrophobicContact CD2-CD1 3.97Å; F12-L37 HydrophobicContact CD2-CG 4.48Å; F12-L37 HydrophobicContact CE2-CB 4.24Å; F12-L37 HydrophobicContact CE2-CD1 3.72Å; F12-L37 PolarHBondContact N-O 3.27Å; E33-L37 HydrophobicContact CG-CD1 4.05Å; E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.3Å; E33-L37 PolarHBondContact O-N 3.1Å; L34-L37 CarbonylContact O-C 3.59Å; L34-L37 PolarHBondContact O-N 3.23Å; L35-L37 PolarHBondContact O-N 2.99Å; L37-C240 HydrophobicContact CD1-CB 4.34Å
38G97.4Very high97.5Very high1 Ų127.1 Ų27.11%0.0114%0.14CC..THydrogen-bonded Turntrans96.45.117000000116.4F12 N13 L34 L35 E36F12-G38 CarbonylContact O-C 3.36Å; F12-G38 VanDerWaalsContact O-O 3.13Å; N13-G38 WeakPolarHBondContact CA-O 3.42Å; N13-G38 WeakPolarHBondContact OD1-CA 3.35Å; L34-G38 PolarHBondContact O-N 3.23Å; L35-G38 PolarHBondContact O-N 3.16Å; L35-G38 VanDerWaalsContact O-N 3.1Å; E36-G38 VanDerWaalsContact C-N 3.3Å; E36-G38 PolarHBondContact O-N 3.46Å
39C98.5Very high97.4Very high0 Ų033 Ų330%017%0.168CC..  trans-79.4137.7178.4-1650000111.2F12 K15 L34 L35 V41 A68F12-C39 HydrophobicContact CB-CB 3.64Å; F12-C39 HydrophobicContact CG-CB 4.45Å; F12-C39 WeakPolarHBondContact O-CA 3.41Å; F12-C39 PolarHBondContact O-N 2.95Å; K15-C39 PolarHBondContact O-SG 3.44Å; K15-C39 VanDerWaalsContact O-SG 3.39Å; L34-C39 HydrophobicContact CB-CB 3.97Å; L34-C39 HydrophobicContact CD2-CB 4.36Å; L34-C39 WeakPolarHBondContact O-CB 3.16Å; L34-C39 PolarHBondContact O-N 3.08Å; L35-C39 WeakPolarHBondContact CD2-O 3.35Å; C39-V41 HydrophobicContact CB-CG2 4.26Å; C39-A68 VanDerWaalsContact O-CB 3.27Å; C39-A68 WeakPolarHBondContact O-CB 3.27Å
40S98.8Very high97.2Very high13 Ų1338.9 Ų38.99%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-74131.2160-65.60000109.5K15 V16 A17 S69K15-S40 PolarHBondContact O-N 2.88Å; V16-S40 CarbonylContact C-O 3.53Å; V16-S40 WeakPolarHBondContact CA-O 3.43Å; A17-S40 PolarHBondContact N-O 3.46Å; S40-S69 CarbonylContact C-O 3.55Å; S40-S69 VanDerWaalsContact CA-O 3.27Å; S40-S69 WeakPolarHBondContact CA-O 3.41Å; S40-S69 PolarHBondContact OG-OG 3.39Å; S40-S69 VanDerWaalsContact OG-OG 3.14Å
41V98.9Very high97Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-123127.2-174.1-176.10000110.8A17 V19 L34 L35 C39 I43 S69 V70 T71A17-V41 HydrophobicContact CB-CG2 4.44Å; A17-V41 CarbonylContact O-C 3.6Å; A17-V41 WeakPolarHBondContact O-CA 3.18Å; V19-V41 HydrophobicContact CB-CG1 4.4Å; V19-V41 HydrophobicContact CG2-CG1 3.78Å; L34-V41 HydrophobicContact CB-CG2 3.66Å; L34-V41 HydrophobicContact CD1-CG2 4.37Å; L35-V41 HydrophobicContact CD2-CB 3.97Å; L35-V41 HydrophobicContact CD2-CG2 3.84Å; L35-V41 HydrophobicContact CG-CB 4.11Å; L35-V41 HydrophobicContact CG-CG2 3.75Å; C39-V41 HydrophobicContact CB-CG2 4.26Å; V41-I43 HydrophobicContact CG1-CG2 3.85Å; V41-S69 PolarHBondContact N-O 3.18Å; V41-V70 CarbonylContact O-C 3.58Å; V41-V70 VanDerWaalsContact O-CA 3.28Å; V41-V70 WeakPolarHBondContact O-CA 3.45Å; V41-T71 PolarHBondContact O-N 2.84Å
42V98.9Very high97Very high0 Ų041.6 Ų41.60%020%0.2CC..EExtended strand (participates in β ladder)trans-100.1107.8169.2-1760000108.3A17 I18 V19 T71 V73 L86 V90 Y94A17-V42 PolarHBondContact O-N 2.87Å; I18-V42 WeakPolarHBondContact CA-O 3.23Å; I18-V42 HydrophobicContact CG1-CB 4.42Å; V19-V42 PolarHBondContact N-O 3.38Å; V42-T71 CarbonylContact C-O 3.57Å; V42-T71 WeakPolarHBondContact CA-O 3.46Å; V42-V73 HydrophobicContact CG1-CB 4.15Å; V42-V73 HydrophobicContact CG1-CG2 3.69Å; V42-L86 HydrophobicContact CG1-CD1 4.17Å; V42-V90 HydrophobicContact CB-CG2 4.06Å; V42-V90 HydrophobicContact CG1-CG2 3.82Å; V42-V90 HydrophobicContact CG2-CG1 4.06Å; V42-V90 HydrophobicContact CG2-CG2 3.78Å; V42-Y94 HydrophobicContact CG2-CD2 4.24Å; V42-Y94 HydrophobicContact CG2-CE2 3.64Å
43I98.8Very high97Very high0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-90133175.262.4172.6000110S31 V41 L51 A54 A55 M58 V70 T71 T72 V73S31-I43 VanDerWaalsContact OG-CG2 3.31Å; S31-I43 WeakPolarHBondContact OG-CG2 3.32Å; V41-I43 HydrophobicContact CG1-CG2 3.85Å; I43-L51 HydrophobicContact CB-CD2 4.23Å; I43-L51 HydrophobicContact CD1-CB 4.47Å; I43-L51 HydrophobicContact CD1-CD2 4.06Å; I43-L51 HydrophobicContact CG1-CD2 3.99Å; I43-A54 HydrophobicContact CD1-CB 4.42Å; I43-A55 HydrophobicContact CD1-CB 4.06Å; I43-M58 HydrophobicContact CD1-CE 3.66Å; I43-M58 HydrophobicContact CG2-CE 4.35Å; I43-V70 HydrophobicContact CD1-CG2 4.28Å; I43-V70 HydrophobicContact CG1-CG2 4.23Å; I43-V70 HydrophobicContact CG2-CG2 4.36Å; I43-T71 PolarHBondContact N-O 2.85Å; I43-T72 HydrophobicContact CD1-CG2 3.98Å; I43-T72 HydrophobicContact CG1-CG2 3.88Å; I43-V73 PolarHBondContact O-N 3.24Å; I43-V73 VanDerWaalsContact O-N 3.08Å
44S98.7Very high96.9Very high1 Ų141.7 Ų41.71%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-136.1134.5-174.7-170.90000112.7V19 T20 G21 V73 C75V19-S44 PolarHBondContact O-N 3.38Å; T20-S44 CarbonylContact C-O 3.52Å; T20-S44 WeakPolarHBondContact CA-O 3.38Å; G21-S44 PolarHBondContact N-O 3.18Å; S44-V73 VanDerWaalsContact CA-O 3.29Å; S44-V73 WeakPolarHBondContact CA-O 3.2Å; S44-V73 VanDerWaalsContact CB-O 3.26Å; S44-V73 WeakPolarHBondContact CB-O 3.36Å; S44-V73 PolarHBondContact OG-O 3.01Å; S44-C75 WeakPolarHBondContact OG-CB 3.36Å
45S97.3Very high96.9Very high34 Ų3441.7 Ų41.724%0.23820%0.203CC..EExtended strand (participates in β ladder)trans-165.1178173.584.50000109.3L51 P74 C75S45-L51 WeakPolarHBondContact O-CD1 3.45Å; S45-L51 WeakPolarHBondContact OG-CD2 3.29Å; S45-L51 WeakPolarHBondContact OG-CG 3.34Å; S45-P74 CarbonylContact O-C 3.54Å; S45-P74 VanDerWaalsContact O-CA 3.24Å; S45-P74 WeakPolarHBondContact O-CA 3.39Å; S45-C75 CarbonylContact C-O 3.55Å; S45-C75 PolarHBondContact O-N 3.33Å
46R95.3Very high96.8Very high174 Ų17446.4 Ų46.466%0.65723%0.225SC*.SBendtrans-70.7-31.2-178.1-65.1173-67.6163.9-1114.4C75 N76R46-C75 PolarHBondContact N-O 3.26Å; R46-N76 HydrophobicContact CG-CB 4.02Å
47K93.6Very high96.8Very high110 Ų11047 Ų4748%0.47823%0.227SC..  trans-99.299-169.5-65.7-171176.3-171.20110.7E49 R50 L51K47-E49 PolarHBondContact O-N 3.15Å; K47-R50 HydrophobicContact CB-CB 4.2Å; K47-R50 HydrophobicContact CB-CG 4.25Å; K47-R50 HydrophobicContact CD-CG 4.44Å; K47-R50 PolarHBondContact O-N 2.95Å; K47-L51 PolarHBondContact O-N 2.89Å; K47-L51 VanDerWaalsContact O-N 3.17Å
48A95.8Very high96.8Very high52 Ų5247.1 Ų47.143%0.4323%0.228SC..Hα-helixtrans-54.7-47.2-177.300000113.1R50 L51 E52 P74A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.44Å; A48-L51 WeakPolarHBondContact O-CB 3.33Å; A48-L51 PolarHBondContact O-N 3.45Å; A48-L51 VanDerWaalsContact O-N 3.14Å; A48-E52 PolarHBondContact O-N 3.44Å; A48-P74 HydrophobicContact CB-CB 4.39Å; A48-P74 HydrophobicContact CB-CG 3.66Å
49E95.2Very high96.7Very high174 Ų17452 Ų5281%0.81325%0.246SC*.Hα-helixtrans-58.9-43.3-179.1-64.5172.2-175.600112.8K47 L51 E52 A53K47-E49 PolarHBondContact O-N 3.15Å; E49-L51 VanDerWaalsContact C-N 3.35Å; E49-E52 PolarHBondContact O-N 3.06Å; E49-A53 PolarHBondContact O-N 3.36Å
50R92.6Very high96.4Very high136 Ų13659.9 Ų59.951%0.51328%0.283SS..Hα-helixtrans-67.5-36.4178-69.5-169.5-179.6-178.5-8.2112.1K47 A48 A54K47-R50 HydrophobicContact CB-CB 4.2Å; K47-R50 HydrophobicContact CB-CG 4.25Å; K47-R50 HydrophobicContact CD-CG 4.44Å; K47-R50 PolarHBondContact O-N 2.95Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.44Å; R50-A54 WeakPolarHBondContact O-CB 3.49Å; R50-A54 PolarHBondContact O-N 2.88Å
51L96.1Very high95.9Very high0 Ų064 Ų640%030%0.299CS..Hα-helixtrans-63.9-45.8174.3-70.4168.9000110.5I43 S45 K47 A48 E49 A54 A55 T72I43-L51 HydrophobicContact CB-CD2 4.23Å; I43-L51 HydrophobicContact CD1-CB 4.47Å; I43-L51 HydrophobicContact CD1-CD2 4.06Å; I43-L51 HydrophobicContact CG1-CD2 3.99Å; S45-L51 WeakPolarHBondContact O-CD1 3.45Å; S45-L51 WeakPolarHBondContact OG-CD2 3.29Å; S45-L51 WeakPolarHBondContact OG-CG 3.34Å; K47-L51 PolarHBondContact O-N 2.89Å; K47-L51 VanDerWaalsContact O-N 3.17Å; A48-L51 WeakPolarHBondContact O-CB 3.33Å; A48-L51 PolarHBondContact O-N 3.45Å; A48-L51 VanDerWaalsContact O-N 3.14Å; E49-L51 VanDerWaalsContact C-N 3.35Å; L51-A54 PolarHBondContact O-N 3.18Å; L51-A55 WeakPolarHBondContact O-CB 3.33Å; L51-A55 PolarHBondContact O-N 3.13Å; L51-T72 HydrophobicContact CB-CG2 3.86Å; L51-T72 WeakPolarHBondContact O-CG2 3.48Å
52E97.8Very high95.6Very high56 Ų5665.4 Ų65.426%0.26231%0.306SS..Hα-helixtrans-67.6-41.4-176.3-166.155.1-145.800112.1A48 E49 A54 A55 Q56 R59 T72A48-E52 PolarHBondContact O-N 3.44Å; E49-E52 PolarHBondContact O-N 3.06Å; E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.42Å; E52-A55 PolarHBondContact O-N 2.94Å; E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.39Å; E52-Q56 PolarHBondContact O-N 3.29Å; E52-R59 IonicContact OE1-CZ 3.82Å; E52-R59 IonicContact OE1-NH1 2.71Å; E52-R59 PolarHBondContact OE1-NH1 2.87Å; E52-R59 IonicContact OE1-NH2 3.4Å; E52-R59 PolarHBondContact OE1-NH2 3.16Å; E52-R59 IonicContact OE2-NH2 3.87Å; E52-T72 WeakPolarHBondContact OE2-CG2 3.46Å; E52-T72 PolarHBondContact OE2-OG1 2.91Å
53A96.4Very high94.9Very high45 Ų4567.8 Ų67.837%0.37232%0.322SS..Hα-helixtrans-57.1-47.6172.400000111.6E49 A55 Q56 E57E49-A53 PolarHBondContact O-N 3.36Å; A53-A55 PolarHBondContact O-N 2.98Å; A53-Q56 PolarHBondContact O-N 3Å; A53-E57 PolarHBondContact O-N 2.94Å; A53-E57 VanDerWaalsContact O-N 3.16Å
54A96.4Very high94.4Very high4 Ų474.6 Ų74.63%0.03337%0.366CS..Hα-helixtrans-63.7-40.4177.800000112.3G23 I43 R50 L51 E52 E57 M58G23-A54 WeakPolarHBondContact O-CB 3.44Å; I43-A54 HydrophobicContact CD1-CB 4.42Å; R50-A54 WeakPolarHBondContact O-CB 3.49Å; R50-A54 PolarHBondContact O-N 2.88Å; L51-A54 PolarHBondContact O-N 3.18Å; E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.42Å; A54-E57 PolarHBondContact O-N 3.15Å; A54-M58 HydrophobicContact CB-CE 3.87Å; A54-M58 WeakPolarHBondContact O-CB 3.17Å; A54-M58 WeakPolarHBondContact O-CE 3.42Å; A54-M58 WeakPolarHBondContact O-CG 3.28Å; A54-M58 PolarHBondContact O-N 3.17Å
55A97.9Very high93.9Very high0 Ų080.2 Ų80.20%041%0.405CS..Hα-helixtrans-65-40.9176.900000112I43 L51 E52 A53 M58 R59 V70 T72I43-A55 HydrophobicContact CD1-CB 4.06Å; L51-A55 WeakPolarHBondContact O-CB 3.33Å; L51-A55 PolarHBondContact O-N 3.13Å; E52-A55 PolarHBondContact O-N 2.94Å; A53-A55 PolarHBondContact O-N 2.98Å; A55-M58 PolarHBondContact O-N 3.43Å; A55-R59 VanDerWaalsContact O-CG 3.27Å; A55-R59 WeakPolarHBondContact O-CG 3.39Å; A55-R59 PolarHBondContact O-N 3.03Å; A55-V70 HydrophobicContact CB-CG1 4.13Å; A55-V70 HydrophobicContact CB-CG2 4.06Å; A55-T72 HydrophobicContact CB-CG2 3.44Å; A55-T72 VanDerWaalsContact CB-CG2 3.44Å
56Q97.3Very high93.8Very high103 Ų10379.8 Ų79.848%0.48140%0.402SS..Hα-helixtrans-59.5-47175.9-74.1173.90.900111.6E52 A53 M58 R59 Q60E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.39Å; E52-Q56 PolarHBondContact O-N 3.29Å; A53-Q56 PolarHBondContact O-N 3Å; Q56-M58 VanDerWaalsContact C-N 3.33Å; Q56-M58 PolarHBondContact O-N 2.95Å; Q56-R59 PolarHBondContact O-N 2.87Å; Q56-Q60 WeakPolarHBondContact O-CG 3.12Å; Q56-Q60 PolarHBondContact O-N 2.77Å
57E94.8Very high93.8Very high81 Ų8173.9 Ų73.938%0.37939%0.387SS..Hα-helixtrans-61.4-41.3175.6-68.7176.6-155.600112.2K28 A53 A54K28-E57 WeakPolarHBondContact CE-OE2 3.34Å; K28-E57 IonicContact NZ-OE2 3.19Å; K28-E57 PolarHBondContact NZ-OE2 3.48Å; A53-E57 PolarHBondContact O-N 2.94Å; A53-E57 VanDerWaalsContact O-N 3.16Å; A54-E57 PolarHBondContact O-N 3.15Å
58M95.6Very high94Very high6 Ų669.3 Ų69.33%0.0337%0.369CS..Hα-helixtrans-67.8-40.4178.1-76.4-176.9-91.100112.2K28 A32 L35 I43 A54 A55 Q56 Q60 K61 I62 V70K28-M58 HydrophobicContact CG-CE 4.38Å; A32-M58 HydrophobicContact CB-CG 4.43Å; A32-M58 HydrophobicContact CB-SD 4.44Å; L35-M58 HydrophobicContact CD1-CB 3.76Å; L35-M58 HydrophobicContact CD1-CG 4.18Å; L35-M58 HydrophobicContact CD1-SD 3.78Å; I43-M58 HydrophobicContact CD1-CE 3.66Å; I43-M58 HydrophobicContact CG2-CE 4.35Å; A54-M58 HydrophobicContact CB-CE 3.87Å; A54-M58 WeakPolarHBondContact O-CB 3.17Å; A54-M58 WeakPolarHBondContact O-CE 3.42Å; A54-M58 WeakPolarHBondContact O-CG 3.28Å; A54-M58 PolarHBondContact O-N 3.17Å; A55-M58 PolarHBondContact O-N 3.43Å; Q56-M58 VanDerWaalsContact C-N 3.33Å; Q56-M58 PolarHBondContact O-N 2.95Å; M58-Q60 PolarHBondContact O-N 3.31Å; M58-K61 PolarHBondContact O-N 3.13Å; M58-I62 PolarHBondContact O-N 3.27Å; M58-V70 HydrophobicContact CB-CG1 4.44Å
59R95.4Very high94.1Very high104 Ų10468.5 Ų68.539%0.39236%0.361SS..Hα-helixtrans-55.8-38.7177.9-75.8175.8-160.5134.55112.1E52 A55 Q56 K61 I62 V70E52-R59 IonicContact OE1-CZ 3.82Å; E52-R59 IonicContact OE1-NH1 2.71Å; E52-R59 PolarHBondContact OE1-NH1 2.87Å; E52-R59 IonicContact OE1-NH2 3.4Å; E52-R59 PolarHBondContact OE1-NH2 3.16Å; E52-R59 IonicContact OE2-NH2 3.87Å; A55-R59 VanDerWaalsContact O-CG 3.27Å; A55-R59 WeakPolarHBondContact O-CG 3.39Å; A55-R59 PolarHBondContact O-N 3.03Å; Q56-R59 PolarHBondContact O-N 2.87Å; R59-K61 PolarHBondContact O-N 3.37Å; R59-I62 PolarHBondContact O-N 2.89Å; R59-V70 HydrophobicContact CB-CG1 4.48Å; R59-V70 HydrophobicContact CG-CG1 3.35Å
60Q92.4Very high94.2Very high165 Ų16560.7 Ų60.777%0.77133%0.325SS*.THydrogen-bonded Turntrans-65.9-20.2179.3-66.6174.14.300113.4Q56 M58Q56-Q60 WeakPolarHBondContact O-CG 3.12Å; Q56-Q60 PolarHBondContact O-N 2.77Å; M58-Q60 PolarHBondContact O-N 3.31Å
61K89.1Confident94.5Very high98 Ų9855 Ų5543%0.42631%0.305SS..THydrogen-bonded Turntrans-99.2-6.7-177.9-60.1179.7179.41760112.6A2 M58 R59 P63 E283A2-K61 HydrophobicContact CB-CD 4.32Å; M58-K61 PolarHBondContact O-N 3.13Å; R59-K61 PolarHBondContact O-N 3.37Å; K61-P63 WeakPolarHBondContact O-CD 3.35Å; K61-E283 IonicContact NZ-OE1 2.86Å; K61-E283 PolarHBondContact NZ-OE1 3.41Å
62I91.4Very high94.6Very high30 Ų3056.7 Ų56.715%0.15432%0.315CS..SBendtrans-74125.2176.9-60.1173.8000108.9L35 M58 R59 A68 V70L35-I62 HydrophobicContact CB-CG1 4.22Å; L35-I62 HydrophobicContact CD1-CD1 4.46Å; L35-I62 HydrophobicContact CD2-CD1 3.88Å; L35-I62 HydrophobicContact CD2-CG1 4.46Å; M58-I62 PolarHBondContact O-N 3.27Å; R59-I62 PolarHBondContact O-N 2.89Å; I62-A68 HydrophobicContact CG2-CB 4.09Å; I62-V70 HydrophobicContact CD1-CG1 4.4Å
63P85.8Confident94.7Very high51 Ų5155.3 Ų55.333%0.33131%0.311SS..  trans-58.9137.1175.2-23.533.3000111.2K61 S65 S66K61-P63 WeakPolarHBondContact O-CD 3.35Å; P63-S65 PolarHBondContact O-N 3Å; P63-S65 VanDerWaalsContact O-N 3.08Å; P63-S66 WeakPolarHBondContact O-CB 3.27Å; P63-S66 PolarHBondContact O-N 3.34Å
64P86.8Confident94.8Very high143 Ų14356.5 Ų56.593%0.92932%0.315SS*.THydrogen-bonded Turntrans-58.2-26-179.7-27.234.8000114.7
65S89.6Confident94.9Very high118 Ų11856.5 Ų56.583%0.82531%0.314SS*.THydrogen-bonded Turntrans-85-6.5176.254.70000114P63P63-S65 PolarHBondContact O-N 3Å; P63-S65 VanDerWaalsContact O-N 3.08Å
66S94.3Very high94.9Very high25 Ų2558.5 Ų58.518%0.17533%0.325CS..  trans-76.8137.6-179-175.40000110.7P63 A68P63-S66 WeakPolarHBondContact O-CB 3.27Å; P63-S66 PolarHBondContact O-N 3.34Å; S66-A68 PolarHBondContact O-N 2.83Å; S66-A68 VanDerWaalsContact OG-CB 3.22Å; S66-A68 WeakPolarHBondContact OG-CB 3.38Å; S66-A68 PolarHBondContact OG-N 3.43Å
67P95.7Very high95Very high51 Ų5154.2 Ų54.233%0.33131%0.305SS..  trans-74.1-3.1170.833.2-35.7000112.7N13N13-P67 HydrophobicContact CB-CG 4.1Å; N13-P67 WeakPolarHBondContact OD1-CD 3.4Å; N13-P67 WeakPolarHBondContact OD1-CG 3.22Å
68A97.6Very high95.1Very high13 Ų1355 Ų5511%0.10731%0.305CS..  trans-66.6149.2-176.700000112.8L35 C39 I62 S66L35-A68 HydrophobicContact CD2-CB 4.2Å; L35-A68 WeakPolarHBondContact O-CB 3.49Å; C39-A68 VanDerWaalsContact O-CB 3.27Å; C39-A68 WeakPolarHBondContact O-CB 3.27Å; I62-A68 HydrophobicContact CG2-CB 4.09Å; S66-A68 PolarHBondContact O-N 2.83Å; S66-A68 VanDerWaalsContact OG-CB 3.22Å; S66-A68 WeakPolarHBondContact OG-CB 3.38Å; S66-A68 PolarHBondContact OG-N 3.43Å
69S97.8Very high95.3Very high36 Ų3656.3 Ų56.325%0.25232%0.315SS..  trans-148.8142.3173.763.50000110.3S40 V41 Y94S40-S69 CarbonylContact C-O 3.55Å; S40-S69 VanDerWaalsContact CA-O 3.27Å; S40-S69 WeakPolarHBondContact CA-O 3.41Å; S40-S69 PolarHBondContact OG-OG 3.39Å; S40-S69 VanDerWaalsContact OG-OG 3.14Å; V41-S69 PolarHBondContact N-O 3.18Å; S69-Y94 PolarHBondContact OG-OH 2.82Å
70V98.5Very high95.4Very high9 Ų953.9 Ų53.96%0.05531%0.308CS..EExtended strand (participates in β ladder)trans-104.3131.1172.862.30000111.5L35 V41 I43 A55 M58 R59 I62L35-V70 HydrophobicContact CD1-CB 3.86Å; L35-V70 HydrophobicContact CD1-CG1 4.47Å; L35-V70 HydrophobicContact CD1-CG2 4.25Å; L35-V70 HydrophobicContact CD2-CB 3.93Å; V41-V70 CarbonylContact O-C 3.58Å; V41-V70 VanDerWaalsContact O-CA 3.28Å; V41-V70 WeakPolarHBondContact O-CA 3.45Å; I43-V70 HydrophobicContact CD1-CG2 4.28Å; I43-V70 HydrophobicContact CG1-CG2 4.23Å; I43-V70 HydrophobicContact CG2-CG2 4.36Å; A55-V70 HydrophobicContact CB-CG1 4.13Å; A55-V70 HydrophobicContact CB-CG2 4.06Å; M58-V70 HydrophobicContact CB-CG1 4.44Å; R59-V70 HydrophobicContact CB-CG1 4.48Å; R59-V70 HydrophobicContact CG-CG1 3.35Å; I62-V70 HydrophobicContact CD1-CG1 4.4Å
71T98.5Very high95.7Very high18 Ų1851.3 Ų51.311%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-124.8143174.8-60.50000110.1V41 V42 I43 V73 R93 Y94V41-T71 PolarHBondContact O-N 2.84Å; V42-T71 CarbonylContact C-O 3.57Å; V42-T71 WeakPolarHBondContact CA-O 3.46Å; I43-T71 PolarHBondContact N-O 2.85Å; T71-V73 HydrophobicContact CG2-CG2 4.35Å; T71-R93 PolarHBondContact OG1-NE 3.35Å; T71-Y94 PolarHBondContact OG1-OH 2.88Å
72T98.7Very high96.2Very high34 Ų3450.5 Ų50.521%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-101.7132.617754.10000109.3I43 L51 E52 A55I43-T72 HydrophobicContact CD1-CG2 3.98Å; I43-T72 HydrophobicContact CG1-CG2 3.88Å; L51-T72 HydrophobicContact CB-CG2 3.86Å; L51-T72 WeakPolarHBondContact O-CG2 3.48Å; E52-T72 WeakPolarHBondContact OE2-CG2 3.46Å; E52-T72 PolarHBondContact OE2-OG1 2.91Å; A55-T72 HydrophobicContact CB-CG2 3.44Å; A55-T72 VanDerWaalsContact CB-CG2 3.44Å
73V98.5Very high96.5Very high27 Ų2749.1 Ų49.116%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-136.1106.1171.8-178.60000108.4V42 I43 S44 T71 C75 L86V42-V73 HydrophobicContact CG1-CB 4.15Å; V42-V73 HydrophobicContact CG1-CG2 3.69Å; I43-V73 PolarHBondContact O-N 3.24Å; I43-V73 VanDerWaalsContact O-N 3.08Å; S44-V73 VanDerWaalsContact CA-O 3.29Å; S44-V73 WeakPolarHBondContact CA-O 3.2Å; S44-V73 VanDerWaalsContact CB-O 3.26Å; S44-V73 WeakPolarHBondContact CB-O 3.36Å; S44-V73 PolarHBondContact OG-O 3.01Å; T71-V73 HydrophobicContact CG2-CG2 4.35Å; V73-C75 PolarHBondContact O-N 2.93Å; V73-L86 HydrophobicContact CB-CD1 3.54Å; V73-L86 HydrophobicContact CG1-CB 4.4Å; V73-L86 HydrophobicContact CG1-CD1 3.47Å; V73-L86 VanDerWaalsContact CG1-CD1 3.47Å; V73-L86 HydrophobicContact CG2-CD1 4.18Å
74P98.3Very high97.2Very high71 Ų7150.4 Ų50.446%0.46129%0.29SS..EExtended strand (participates in β ladder)trans-60132.8174.8-22.934.2000111.1S45 A48S45-P74 CarbonylContact O-C 3.54Å; S45-P74 VanDerWaalsContact O-CA 3.24Å; S45-P74 WeakPolarHBondContact O-CA 3.39Å; A48-P74 HydrophobicContact CB-CB 4.39Å; A48-P74 HydrophobicContact CB-CG 3.66Å
75C98.6Very high97.7Very high3 Ų346.4 Ų46.42%0.0227%0.27CS..  trans-155.1133.1178.6-176.70000110S44 S45 R46 V73 E82 L86S44-C75 WeakPolarHBondContact OG-CB 3.36Å; S45-C75 CarbonylContact C-O 3.55Å; S45-C75 PolarHBondContact O-N 3.33Å; R46-C75 PolarHBondContact N-O 3.26Å; V73-C75 PolarHBondContact O-N 2.93Å; C75-E82 VanDerWaalsContact SG-C 3.6Å; C75-E82 PolarHBondContact SG-O 3Å; C75-L86 HydrophobicContact CB-CB 4.37Å; C75-L86 HydrophobicContact CB-CD2 4.14Å
76N98.5Very high98.2Very high43 Ų4341 Ų4123%0.2323%0.231CC..  trans-90.9101.2160.117625.3000109.5R46 R78 S79 E82R46-N76 HydrophobicContact CG-CB 4.02Å; N76-R78 PolarHBondContact O-N 3.28Å; N76-R78 WeakPolarHBondContact OD1-CB 3.5Å; N76-R78 WeakPolarHBondContact OD1-CG 3.41Å; N76-R78 PolarHBondContact OD1-N 3.14Å; N76-S79 WeakPolarHBondContact O-CB 3.3Å; N76-S79 PolarHBondContact O-N 3.21Å; N76-E82 WeakPolarHBondContact CB-OE1 3.44Å; N76-E82 WeakPolarHBondContact CB-OE2 3.43Å; N76-E82 PolarHBondContact N-OE2 2.84Å
77I98.6Very high98.4Very high12 Ų1239.9 Ų39.96%0.06222%0.224CC..THydrogen-bonded Turntrans-61.4-8.8-179.163.6173000114.5T20 V83 T126 G130T20-I77 HydrophobicContact CG2-CG2 4.07Å; I77-V83 HydrophobicContact CB-CG2 4.3Å; I77-V83 HydrophobicContact CG2-CG2 4.44Å; I77-T126 HydrophobicContact CD1-CG2 4.3Å; I77-T126 WeakPolarHBondContact CD1-O 3.32Å; I77-T126 HydrophobicContact CG1-CG2 4.46Å; I77-G130 WeakPolarHBondContact O-CA 3.5Å
78R98.4Very high98.6Very high97 Ų9741.1 Ų41.137%0.36623%0.233SC..THydrogen-bonded Turntrans-75.6-13.9171.4-57172.165.6-164.2-0.3113N76 D125 T126N76-R78 PolarHBondContact O-N 3.28Å; N76-R78 WeakPolarHBondContact OD1-CB 3.5Å; N76-R78 WeakPolarHBondContact OD1-CG 3.41Å; N76-R78 PolarHBondContact OD1-N 3.14Å; R78-D125 HydrophobicContact CG-CB 4.09Å; R78-D125 IonicContact CZ-OD2 3.65Å; R78-D125 IonicContact NE-OD2 3.66Å; R78-D125 IonicContact NH2-OD2 2.81Å; R78-D125 PolarHBondContact NH2-OD2 2.56Å; R78-T126 WeakPolarHBondContact CD-OG1 3.26Å
79S98.6Very high98.6Very high34 Ų3442.6 Ų42.624%0.23824%0.243CC..  trans-103.4114.7178.1174.70000109.3N76 D81 E82 V83N76-S79 WeakPolarHBondContact O-CB 3.3Å; N76-S79 PolarHBondContact O-N 3.21Å; S79-D81 PolarHBondContact O-N 3.44Å; S79-E82 PolarHBondContact O-N 2.87Å; S79-E82 PolarHBondContact OG-N 3.33Å; S79-V83 WeakPolarHBondContact O-CG2 3.33Å; S79-V83 PolarHBondContact O-N 3Å; S79-V83 VanDerWaalsContact O-N 3.11Å
80E98.5Very high98.7Very high54 Ų5441 Ų4125%0.25223%0.232SC..Hα-helixtrans-60.1-36.1178.9-169.6176.1-168.200111.4V83 K84 Y133 K136E80-V83 PolarHBondContact O-N 3.35Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 2.92Å; E80-Y133 HydrophobicContact CB-CD1 4.32Å; E80-Y133 HydrophobicContact CB-CD2 4.06Å; E80-Y133 HydrophobicContact CB-CE1 4.28Å; E80-Y133 HydrophobicContact CB-CE2 4.01Å; E80-Y133 HydrophobicContact CB-CG 4.23Å; E80-Y133 HydrophobicContact CG-CD1 4.16Å; E80-Y133 HydrophobicContact CG-CE1 4.37Å; E80-Y133 HydrophobicContact CG-CG 4.32Å; E80-K136 IonicContact OE1-NZ 2.73Å; E80-K136 PolarHBondContact OE1-NZ 3.46Å
81D98.7Very high98.7Very high111 Ų11142.3 Ų42.359%0.59424%0.238SC*.Hα-helixtrans-70.3-37.1179.3-66.7-25.4000112.7S79 V83 K84 A85S79-D81 PolarHBondContact O-N 3.44Å; D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 3.48Å; D81-K84 PolarHBondContact O-N 3.41Å; D81-K84 IonicContact OD1-NZ 2.88Å; D81-A85 WeakPolarHBondContact O-CB 3.33Å; D81-A85 PolarHBondContact O-N 3.33Å
82E98.8Very high98.7Very high80 Ų8050.6 Ų50.637%0.37427%0.273SS..Hα-helixtrans-68.2-32.1173.3-69.4-176.6-122.400111.8C75 N76 S79 A85 L86C75-E82 VanDerWaalsContact SG-C 3.6Å; C75-E82 PolarHBondContact SG-O 3Å; N76-E82 WeakPolarHBondContact CB-OE1 3.44Å; N76-E82 WeakPolarHBondContact CB-OE2 3.43Å; N76-E82 PolarHBondContact N-OE2 2.84Å; S79-E82 PolarHBondContact O-N 2.87Å; S79-E82 PolarHBondContact OG-N 3.33Å; E82-A85 PolarHBondContact O-N 3.05Å; E82-L86 WeakPolarHBondContact O-CB 3.3Å; E82-L86 PolarHBondContact O-N 3.02Å
83V98.9Very high98.7Very high1 Ų156.8 Ų56.81%0.00629%0.292CS..Hα-helixtrans-68.7-43.2174.51730000111I77 S79 E80 D81 A85 L86 V87 E137I77-V83 HydrophobicContact CB-CG2 4.3Å; I77-V83 HydrophobicContact CG2-CG2 4.44Å; S79-V83 WeakPolarHBondContact O-CG2 3.33Å; S79-V83 PolarHBondContact O-N 3Å; S79-V83 VanDerWaalsContact O-N 3.11Å; E80-V83 PolarHBondContact O-N 3.35Å; D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 3.48Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.02Å; V83-L86 WeakPolarHBondContact O-CB 3.39Å; V83-L86 PolarHBondContact O-N 2.88Å; V83-V87 PolarHBondContact O-N 2.92Å; V83-E137 HydrophobicContact CG1-CB 3.82Å; V83-E137 HydrophobicContact CG1-CG 4.21Å
84K98.9Very high98.7Very high78 Ų7857.8 Ų57.834%0.33929%0.294SS..Hα-helixtrans-56.6-46.6171.1-75167.4-175163.90111.6E80 D81 L86 V87 S88 E137E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 2.92Å; D81-K84 PolarHBondContact O-N 3.41Å; D81-K84 IonicContact OD1-NZ 2.88Å; K84-L86 PolarHBondContact O-N 3.19Å; K84-V87 PolarHBondContact O-N 3.49Å; K84-S88 WeakPolarHBondContact O-CB 3.43Å; K84-S88 PolarHBondContact O-N 3.09Å; K84-E137 VanDerWaalsContact CG-CD 3.48Å; K84-E137 HydrophobicContact CG-CG 4.26Å; K84-E137 VanDerWaalsContact CG-OE2 3.27Å; K84-E137 WeakPolarHBondContact CG-OE2 3.39Å
85A98.8Very high98.7Very high60 Ų6056.5 Ų56.550%0.49629%0.293SS..Hα-helixtrans-62.6-42.217800000112.1D81 E82 V83 S89D81-A85 WeakPolarHBondContact O-CB 3.33Å; D81-A85 PolarHBondContact O-N 3.33Å; E82-A85 PolarHBondContact O-N 3.05Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.02Å; A85-S89 WeakPolarHBondContact O-CB 3.36Å; A85-S89 PolarHBondContact O-N 3.26Å; A85-S89 PolarHBondContact O-OG 2.92Å
86L98.8Very high98.7Very high4 Ų460.3 Ų60.32%0.02131%0.307CS..Hα-helixtrans-56-58.5173167.163.9000110.5I18 V42 V73 C75 E82 V83 K84 S88 S89 V90I18-L86 HydrophobicContact CG2-CD2 4.21Å; V42-L86 HydrophobicContact CG1-CD1 4.17Å; V73-L86 HydrophobicContact CB-CD1 3.54Å; V73-L86 HydrophobicContact CG1-CB 4.4Å; V73-L86 HydrophobicContact CG1-CD1 3.47Å; V73-L86 VanDerWaalsContact CG1-CD1 3.47Å; V73-L86 HydrophobicContact CG2-CD1 4.18Å; C75-L86 HydrophobicContact CB-CB 4.37Å; C75-L86 HydrophobicContact CB-CD2 4.14Å; E82-L86 WeakPolarHBondContact O-CB 3.3Å; E82-L86 PolarHBondContact O-N 3.02Å; V83-L86 WeakPolarHBondContact O-CB 3.39Å; V83-L86 PolarHBondContact O-N 2.88Å; K84-L86 PolarHBondContact O-N 3.19Å; L86-S88 PolarHBondContact O-N 2.91Å; L86-S89 PolarHBondContact O-N 3.36Å; L86-S89 VanDerWaalsContact O-N 3.14Å; L86-S89 PolarHBondContact O-OG 3.35Å; L86-V90 HydrophobicContact CD1-CG2 4.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 3.35Å; L86-V90 VanDerWaalsContact O-N 3.09Å
87V98.9Very high98.7Very high2 Ų258.2 Ų58.21%0.01230%0.296CS..Hα-helixtrans-61.1-44.2-176.3170.50000111.7I18 V83 K84 S89 V90 L91 I97 E137 V138 A141I18-V87 HydrophobicContact CD1-CG2 4.31Å; V83-V87 PolarHBondContact O-N 2.92Å; K84-V87 PolarHBondContact O-N 3.49Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 2.85Å; V87-V90 PolarHBondContact O-N 2.82Å; V87-L91 HydrophobicContact CG1-CD1 4.06Å; V87-L91 PolarHBondContact O-N 2.85Å; V87-I97 HydrophobicContact CG1-CD1 3.73Å; V87-E137 HydrophobicContact CB-CG 3.64Å; V87-E137 HydrophobicContact CG1-CG 3.96Å; V87-E137 HydrophobicContact CG2-CB 4.13Å; V87-E137 HydrophobicContact CG2-CG 3.59Å; V87-V138 HydrophobicContact CG2-CG1 3.84Å; V87-A141 HydrophobicContact CG1-CB 3.67Å
88S98.8Very high98.7Very high76 Ų7658.3 Ų58.353%0.53130%0.296SS..Hα-helixtrans-58-42.8175.1-179.80000112.2K84 L86 V90 L91 K92K84-S88 WeakPolarHBondContact O-CB 3.43Å; K84-S88 PolarHBondContact O-N 3.09Å; L86-S88 PolarHBondContact O-N 2.91Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.43Å; S88-L91 PolarHBondContact O-N 3.2Å; S88-K92 WeakPolarHBondContact O-CB 3.33Å; S88-K92 PolarHBondContact O-N 3.23Å
89S98.8Very high98.8Very high45 Ų4554.4 Ų54.432%0.31528%0.282SS..Hα-helixtrans-64.6-37177.478.10000112.9A85 L86 V87 R93A85-S89 WeakPolarHBondContact O-CB 3.36Å; A85-S89 PolarHBondContact O-N 3.26Å; A85-S89 PolarHBondContact O-OG 2.92Å; L86-S89 PolarHBondContact O-N 3.36Å; L86-S89 VanDerWaalsContact O-N 3.14Å; L86-S89 PolarHBondContact O-OG 3.35Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 2.85Å; S89-R93 WeakPolarHBondContact O-CB 3.43Å; S89-R93 PolarHBondContact O-N 2.95Å; S89-R93 VanDerWaalsContact O-N 3.1Å
90V98.8Very high98.8Very high2 Ų252.8 Ų52.81%0.01227%0.27CS..Hα-helixtrans-67.4-47.1176.8179.80000110.3V16 I18 V42 L86 V87 S88 K92 R93 Y94 I97V16-V90 HydrophobicContact CG1-CG1 3.87Å; I18-V90 HydrophobicContact CD1-CB 4.24Å; I18-V90 HydrophobicContact CD1-CG1 4.28Å; I18-V90 HydrophobicContact CD1-CG2 3.87Å; I18-V90 HydrophobicContact CG1-CG1 4.28Å; I18-V90 HydrophobicContact CG1-CG2 4.08Å; V42-V90 HydrophobicContact CB-CG2 4.06Å; V42-V90 HydrophobicContact CG1-CG2 3.82Å; V42-V90 HydrophobicContact CG2-CG1 4.06Å; V42-V90 HydrophobicContact CG2-CG2 3.78Å; L86-V90 HydrophobicContact CD1-CG2 4.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 3.35Å; L86-V90 VanDerWaalsContact O-N 3.09Å; V87-V90 PolarHBondContact O-N 2.82Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.43Å; V90-K92 PolarHBondContact O-N 2.99Å; V90-R93 PolarHBondContact O-N 3.36Å; V90-Y94 HydrophobicContact CG1-CD2 3.99Å; V90-Y94 PolarHBondContact O-N 3.47Å; V90-I97 HydrophobicContact CB-CD1 4.37Å; V90-I97 HydrophobicContact CB-CG1 4.43Å; V90-I97 HydrophobicContact CG1-CD1 4.24Å; V90-I97 HydrophobicContact CG1-CG1 3.78Å
91L98.9Very high98.8Very high37 Ų3750.2 Ų50.219%0.19426%0.258CS..Hα-helixtrans-63.3-40.9177.2-69.6173.2000112V87 S88 R93 G95 I97 A141 W142V87-L91 HydrophobicContact CG1-CD1 4.06Å; V87-L91 PolarHBondContact O-N 2.85Å; S88-L91 PolarHBondContact O-N 3.2Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.05Å; L91-G95 WeakPolarHBondContact O-CA 3.49Å; L91-G95 PolarHBondContact O-N 2.97Å; L91-I97 HydrophobicContact CD1-CD1 4.48Å; L91-I97 HydrophobicContact CD2-CD1 3.93Å; L91-I97 HydrophobicContact CD2-CG1 3.87Å; L91-I97 HydrophobicContact CG-CD1 3.9Å; L91-I97 HydrophobicContact CG-CG1 4.31Å; L91-A141 HydrophobicContact CD1-CB 3.75Å; L91-W142 HydrophobicContact CD1-CB 4.45Å; L91-W142 HydrophobicContact CD2-CB 4.02Å; L91-W142 HydrophobicContact CD2-CD2 3.82Å; L91-W142 HydrophobicContact CD2-CE3 3.6Å; L91-W142 HydrophobicContact CD2-CG 4.01Å; L91-W142 HydrophobicContact CD2-CZ3 4.38Å
92K98.7Very high98.8Very high192 Ų19245.1 Ų45.184%0.83523%0.231SC*.Hα-helixtrans-60-37.9174.9-177.3177.3179.4179.10112.3S88 V90S88-K92 WeakPolarHBondContact O-CB 3.33Å; S88-K92 PolarHBondContact O-N 3.23Å; V90-K92 PolarHBondContact O-N 2.99Å
93R98.5Very high98.8Very high164 Ų16442.7 Ų42.762%0.61922%0.221SC*.Hα-helixtrans-83.4-43.1-175.8-179170.2179.6121.93.6113.2T71 S89 V90 L91T71-R93 PolarHBondContact OG1-NE 3.35Å; S89-R93 WeakPolarHBondContact O-CB 3.43Å; S89-R93 PolarHBondContact O-N 2.95Å; S89-R93 VanDerWaalsContact O-N 3.1Å; V90-R93 PolarHBondContact O-N 3.36Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.05Å
94Y98.6Very high98.5Very high48 Ų4843.1 Ų43.119%0.18823%0.225CC..Hα-helixtrans-113-14.5-169.1-65.1-78.8000113.8V16 V42 S69 T71 V90 R96V16-Y94 HydrophobicContact CG1-CD2 4.13Å; V16-Y94 HydrophobicContact CG1-CG 4.05Å; V16-Y94 HydrophobicContact CG2-CD1 4.09Å; V16-Y94 HydrophobicContact CG2-CG 4.04Å; V42-Y94 HydrophobicContact CG2-CD2 4.24Å; V42-Y94 HydrophobicContact CG2-CE2 3.64Å; S69-Y94 PolarHBondContact OG-OH 2.82Å; T71-Y94 PolarHBondContact OG1-OH 2.88Å; V90-Y94 HydrophobicContact CG1-CD2 3.99Å; V90-Y94 PolarHBondContact O-N 3.47Å; Y94-R96 PolarHBondContact O-N 3.39Å; Y94-R96 VanDerWaalsContact O-N 3.16Å
95G98.6Very high98.1Very high43 Ų4341.4 Ų41.444%0.44323%0.229SC..SBendtrans67.88-178.700000114.8L91 W142L91-G95 WeakPolarHBondContact O-CA 3.49Å; L91-G95 PolarHBondContact O-N 2.97Å; G95-W142 WeakPolarHBondContact O-CH2 3.47Å; G95-W142 WeakPolarHBondContact O-CZ3 3.44Å
96R98.6Very high97.6Very high83 Ų8340.4 Ų40.431%0.31323%0.225SC..  trans-161.9160-178.868.2-171.6-64.3145.110.3113V16 Y94 D98 W142V16-R96 HydrophobicContact CB-CG 4.03Å; V16-R96 HydrophobicContact CG2-CG 3.48Å; V16-R96 VanDerWaalsContact CG2-CG 3.48Å; Y94-R96 PolarHBondContact O-N 3.39Å; Y94-R96 VanDerWaalsContact O-N 3.16Å; R96-D98 IonicContact CZ-OD1 2.73Å; R96-D98 IonicContact CZ-OD2 3.32Å; R96-D98 IonicContact NE-OD1 2.58Å; R96-D98 PolarHBondContact NE-OD1 2.86Å; R96-D98 IonicContact NE-OD2 3.65Å; R96-D98 PolarHBondContact NE-OD2 3.46Å; R96-D98 IonicContact NH2-OD1 3.64Å; R96-D98 PolarHBondContact NH2-OD1 3.44Å; R96-D98 IonicContact NH2-OD2 2.97Å; R96-D98 PolarHBondContact NH2-OD2 3.03Å; R96-W142 HydrophobicContact CB-CH2 4.05Å; R96-W142 HydrophobicContact CB-CZ2 3.44Å; R96-W142 VanDerWaalsContact CB-CZ2 3.44Å
97I98.9Very high97.2Very high0 Ų043.6 Ų43.60%024%0.24CC..  trans-138.7109.1167.2-59.2169000108.2I18 V87 V90 L91 V138 W142 M143I18-I97 HydrophobicContact CD1-CD1 3.82Å; I18-I97 HydrophobicContact CD1-CG1 4.29Å; I18-I97 HydrophobicContact CD1-CG2 4.18Å; I18-I97 HydrophobicContact CG1-CG2 4.34Å; V87-I97 HydrophobicContact CG1-CD1 3.73Å; V90-I97 HydrophobicContact CB-CD1 4.37Å; V90-I97 HydrophobicContact CB-CG1 4.43Å; V90-I97 HydrophobicContact CG1-CD1 4.24Å; V90-I97 HydrophobicContact CG1-CG1 3.78Å; L91-I97 HydrophobicContact CD1-CD1 4.48Å; L91-I97 HydrophobicContact CD2-CD1 3.93Å; L91-I97 HydrophobicContact CD2-CG1 3.87Å; L91-I97 HydrophobicContact CG-CD1 3.9Å; L91-I97 HydrophobicContact CG-CG1 4.31Å; I97-V138 HydrophobicContact CD1-CG1 4.37Å; I97-V138 HydrophobicContact CG2-CG1 4.4Å; I97-W142 HydrophobicContact CB-CG 4.35Å; I97-W142 PolarHBondContact O-NE1 3.17Å; I97-W142 VanDerWaalsContact O-NE1 3.15Å; I97-M143 HydrophobicContact CG2-CE 3.96Å
98D98.9Very high96.9Very high14 Ų1447 Ų478%0.07526%0.255CS..  trans-88.5-37.4178.2-62.5-92.5000111.8K15 V16 R96 G148 V149K15-D98 WeakPolarHBondContact CA-OD2 3.2Å; K15-D98 HydrophobicContact CB-CB 4.3Å; K15-D98 HydrophobicContact CD-CB 3.95Å; K15-D98 WeakPolarHBondContact CD-OD1 3.37Å; K15-D98 IonicContact NZ-OD1 2.98Å; K15-D98 PolarHBondContact NZ-OD1 3.4Å; V16-D98 PolarHBondContact N-OD2 3.4Å; V16-D98 PolarHBondContact O-N 3.39Å; R96-D98 IonicContact CZ-OD1 2.73Å; R96-D98 IonicContact CZ-OD2 3.32Å; R96-D98 IonicContact NE-OD1 2.58Å; R96-D98 PolarHBondContact NE-OD1 2.86Å; R96-D98 IonicContact NE-OD2 3.65Å; R96-D98 PolarHBondContact NE-OD2 3.46Å; R96-D98 IonicContact NH2-OD1 3.64Å; R96-D98 PolarHBondContact NH2-OD1 3.44Å; R96-D98 IonicContact NH2-OD2 2.97Å; R96-D98 PolarHBondContact NH2-OD2 3.03Å; D98-G148 WeakPolarHBondContact O-CA 3.39Å; D98-V149 PolarHBondContact O-N 3.49Å
99Y98.9Very high96.6Very high14 Ų1447.4 Ų47.46%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-130.9137.1-168.4-49.7-48.5000111.9F12 K15 V16 A17 I18 V149 L243F12-Y99 AromaticContact CD1-CE2 3.59Å; F12-Y99 HydrophobicContact CD1-CE2 3.59Å; F12-Y99 AromaticContact CD1-CZ 3.78Å; F12-Y99 WeakPolarHBondContact CD1-OH 3.15Å; F12-Y99 HydrophobicContact CE1-CE2 4.08Å; F12-Y99 HydrophobicContact CG-CE2 4.28Å; K15-Y99 HydrophobicContact CB-CD2 4.16Å; K15-Y99 HydrophobicContact CB-CE2 3.42Å; K15-Y99 VanDerWaalsContact CB-CE2 3.42Å; K15-Y99 HydrophobicContact CD-CE2 4.28Å; K15-Y99 HydrophobicContact CG-CE2 3.78Å; V16-Y99 PolarHBondContact O-N 2.59Å; A17-Y99 CarbonylContact C-O 3.55Å; A17-Y99 VanDerWaalsContact CA-O 3.31Å; A17-Y99 WeakPolarHBondContact CA-O 3.4Å; A17-Y99 HydrophobicContact CB-CD2 4.21Å; I18-Y99 PolarHBondContact N-O 2.94Å; Y99-V149 WeakPolarHBondContact CA-O 3.42Å; Y99-V149 HydrophobicContact CD1-CB 3.93Å; Y99-V149 HydrophobicContact CD1-CG2 4.15Å; Y99-V149 HydrophobicContact CE1-CB 4.3Å; Y99-V149 HydrophobicContact CE1-CG2 4.03Å; Y99-L243 HydrophobicContact CD1-CB 4.42Å; Y99-L243 HydrophobicContact CD1-CD2 3.77Å; Y99-L243 HydrophobicContact CE1-CB 4.49Å; Y99-L243 HydrophobicContact CG-CD2 3.95Å
100L98.9Very high96.3Very high1 Ų146.2 Ų46.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-121.9124.9166.2173.164000108.8I18 N102 C134 V138 M143 V149 I150 I151I18-L100 HydrophobicContact CB-CD1 4.03Å; I18-L100 HydrophobicContact CG2-CD1 4.06Å; L100-N102 WeakPolarHBondContact CD2-ND2 3.31Å; L100-C134 HydrophobicContact CD1-CB 4.38Å; L100-C134 HydrophobicContact CD2-CB 4.02Å; L100-V138 HydrophobicContact CB-CG2 4.33Å; L100-V138 HydrophobicContact CD2-CG1 4.15Å; L100-V138 HydrophobicContact CD2-CG2 3.63Å; L100-M143 HydrophobicContact CB-CE 4.34Å; L100-V149 PolarHBondContact N-O 2.95Å; L100-I150 HydrophobicContact CB-CG1 4.22Å; L100-I150 HydrophobicContact CB-CG2 4.4Å; L100-I150 HydrophobicContact CD2-CG2 4.2Å; L100-I150 HydrophobicContact CG-CG2 4.38Å; L100-I150 CarbonylContact O-C 3.58Å; L100-I150 WeakPolarHBondContact O-CA 3.19Å; L100-I151 PolarHBondContact O-N 2.88Å
101V98.9Very high96.2Very high0 Ų048.9 Ų48.90%027%0.266CS..EExtended strand (participates in β ladder)trans-112.6106.9169.4-175.80000108.9I18 V19 T20 I30 N103 I151 I153 V239 L243I18-V101 PolarHBondContact O-N 3.49Å; V19-V101 HydrophobicContact CB-CB 4.5Å; V19-V101 HydrophobicContact CG1-CB 4.23Å; V19-V101 HydrophobicContact CG1-CG1 4.41Å; V19-V101 HydrophobicContact CG2-CB 4.18Å; V19-V101 HydrophobicContact CG2-CG2 4.33Å; T20-V101 PolarHBondContact N-O 3.44Å; T20-V101 PolarHBondContact OG1-O 3.33Å; I30-V101 HydrophobicContact CD1-CG1 4.09Å; I30-V101 HydrophobicContact CG2-CG1 4.31Å; I30-V101 HydrophobicContact CG2-CG2 4.23Å; V101-N103 HydrophobicContact CG1-CB 4.31Å; V101-N103 PolarHBondContact O-N 3.49Å; V101-I151 CarbonylContact C-O 3.6Å; V101-I151 VanDerWaalsContact CA-O 3.32Å; V101-I151 WeakPolarHBondContact CA-O 3.35Å; V101-I153 HydrophobicContact CG1-CD1 4.39Å; V101-I153 HydrophobicContact CG1-CG1 4.15Å; V101-V239 HydrophobicContact CG1-CG1 4.45Å; V101-V239 HydrophobicContact CG2-CG1 4.09Å; V101-L243 HydrophobicContact CG2-CD1 4.08Å
102N98.9Very high96.1Very high3 Ų351.4 Ų51.42%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-8392.3174.3-68-54000109.7T20 L100 T131 C134 C135 I151 N152 I153T20-N102 WeakPolarHBondContact OG1-CA 3.38Å; L100-N102 WeakPolarHBondContact CD2-ND2 3.31Å; N102-T131 HydrophobicContact CB-CG2 4.02Å; N102-C134 VanDerWaalsContact OD1-CB 3.28Å; N102-C134 WeakPolarHBondContact OD1-CB 3.48Å; N102-C135 PolarHBondContact ND2-SG 2.86Å; N102-I151 PolarHBondContact N-O 3.47Å; N102-N152 WeakPolarHBondContact CB-OD1 3.44Å; N102-N152 PolarHBondContact ND2-OD1 3.4Å; N102-I153 PolarHBondContact O-N 3.36Å
103N98.7Very high96.1Very high30 Ų3049.2 Ų49.216%0.1628%0.276CS..  trans-116.9-12.4175.6163.588.9000112.3T20 G21 G27 V101 G105 I153T20-N103 CarbonylContact O-C 3.15Å; T20-N103 VanDerWaalsContact O-C 3.31Å; T20-N103 WeakPolarHBondContact O-CA 3.33Å; T20-N103 WeakPolarHBondContact O-CB 3.38Å; T20-N103 PolarHBondContact O-N 3.02Å; T20-N103 PolarHBondContact O-ND2 2.83Å; T20-N103 PolarHBondContact OG1-N 3.08Å; T20-N103 VanDerWaalsContact OG1-N 3.07Å; G21-N103 PolarHBondContact O-ND2 2.78Å; G27-N103 WeakPolarHBondContact CA-ND2 3.05Å; V101-N103 HydrophobicContact CG1-CB 4.31Å; V101-N103 PolarHBondContact O-N 3.49Å; N103-G105 PolarHBondContact O-N 3.1Å; N103-I153 HydrophobicContact CB-CB 4.15Å; N103-I153 HydrophobicContact CB-CG1 3.72Å
104G93.1Very high96.1Very high9 Ų948.3 Ų48.39%0.09328%0.276CS..  trans-57.4120.517400000110.8T20T20-G104 VanDerWaalsContact C-N 3.31Å; T20-G104 PolarHBondContact O-N 3.19Å; T20-G104 PolarHBondContact OG1-N 3.47Å
105G89.5Confident96.1Very high42 Ų4247.2 Ų47.243%0.43327%0.273SS..  trans179.2174.2-171.100000112.8N103 N127N103-G105 PolarHBondContact O-N 3.1Å; G105-N127 WeakPolarHBondContact CA-OD1 3.28Å
106G87.9Confident96Very high39 Ų3948.3 Ų48.340%0.40228%0.278SS..  trans-170.9162.317700000111.7N127G106-N127 PolarHBondContact N-OD1 2.73Å; G106-N127 VanDerWaalsContact N-OD1 3.16Å; G106-N127 PolarHBondContact O-ND2 3.35Å
107Q92.1Very high96Very high71 Ų7148.4 Ų48.433%0.33229%0.292SS..  trans-155164.3-17963.4-166.432.800110M164 T167 Y209Q107-M164 HydrophobicContact CB-SD 4.17Å; Q107-M164 HydrophobicContact CG-SD 3.89Å; Q107-T167 HydrophobicContact CB-CG2 4.4Å; Q107-T167 WeakPolarHBondContact CB-OG1 3.5Å; Q107-Y209 PolarHBondContact NE2-OH 3.04Å; Q107-Y209 VanDerWaalsContact NE2-OH 3.09Å
108F91.7Very high96Very high75 Ų7557 Ų5733%0.32933%0.329SS..  trans-145.3152170.660.1-90.8000109.6I115 V123 M164 H166F108-I115 HydrophobicContact CZ-CG2 4.31Å; F108-V123 HydrophobicContact CD1-CG2 4.09Å; F108-V123 HydrophobicContact CE1-CG2 3.78Å; F108-M164 WeakPolarHBondContact O-CG 3.48Å; F108-H166 AromaticContact CD1-NE2 3.6Å; F108-H166 AromaticContact CD2-NE2 3.76Å; F108-H166 AromaticContact CE1-CD2 3.72Å; F108-H166 AromaticContact CE1-NE2 3.34Å; F108-H166 VanDerWaalsContact CE1-NE2 3.34Å; F108-H166 WeakPolarHBondContact CE1-NE2 3.39Å; F108-H166 AromaticContact CE2-NE2 3.5Å; F108-H166 AromaticContact CG-NE2 3.8Å; F108-H166 AromaticContact CZ-CD2 3.55Å; F108-H166 AromaticContact CZ-NE2 3.28Å; F108-H166 VanDerWaalsContact CZ-NE2 3.28Å; F108-H166 WeakPolarHBondContact CZ-NE2 3.36Å; F108-H166 PolarHBondContact O-CE1 2.71Å; F108-H166 PolarHBondContact O-NE2 2.84Å
109S91.8Very high95.9Very high84 Ų8457.1 Ų57.159%0.58733%0.333SS*.  trans-82.2128.4177.1-173.10000110.8G163S109-G163 CarbonylContact C-O 3.55Å; S109-G163 WeakPolarHBondContact CA-O 3.49Å
110S93.9Very high95.9Very high19 Ų1961.2 Ų61.213%0.13335%0.349CS..  trans-164.1135.2173.7-166.70000110.6G163S110-G163 CarbonylContact C-O 3.58Å; S110-G163 PolarHBondContact N-O 3.15Å; S110-G163 CarbonylContact O-C 3.25Å; S110-G163 VanDerWaalsContact O-C 3.25Å; S110-G163 WeakPolarHBondContact O-CA 3.28Å
111P96.4Very high95.9Very high59 Ų5966.9 Ų66.938%0.38337%0.373SS..  trans-52.7146.2165.4-2635.8000111.7E113 K114 I115P111-E113 VanDerWaalsContact C-N 3.28Å; P111-E113 VanDerWaalsContact CB-CD 3.47Å; P111-E113 WeakPolarHBondContact CB-OE1 3.5Å; P111-E113 VanDerWaalsContact CB-OE2 3.24Å; P111-E113 WeakPolarHBondContact CB-OE2 3.32Å; P111-E113 PolarHBondContact O-N 3.31Å; P111-K114 HydrophobicContact CB-CD 4.49Å; P111-K114 HydrophobicContact CB-CG 4.47Å; P111-K114 HydrophobicContact CG-CD 4.28Å; P111-K114 PolarHBondContact O-N 2.7Å; P111-I115 PolarHBondContact O-N 3.45Å
112V97.4Very high95.8Very high89 Ų8968.5 Ų68.554%0.53939%0.386SS..G310 helixtrans-58.2-41.7-169.81780000112K114 I115 A165V112-K114 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.38Å; V112-A165 HydrophobicContact CG2-CB 3.53Å
113E98Very high95.8Very high147 Ų14768.6 Ų68.669%0.68739%0.387SS*.G310 helixtrans-65.8-15.9179.275.8-71.317300113.7P111P111-E113 VanDerWaalsContact C-N 3.28Å; P111-E113 VanDerWaalsContact CB-CD 3.47Å; P111-E113 WeakPolarHBondContact CB-OE1 3.5Å; P111-E113 VanDerWaalsContact CB-OE2 3.24Å; P111-E113 WeakPolarHBondContact CB-OE2 3.32Å; P111-E113 PolarHBondContact O-N 3.31Å
114K98Very high95.8Very high144 Ų14468.7 Ų68.763%0.62639%0.387SS*.G310 helixtrans-102.5-4.4178.9-61.7-174.9-1771770113.5P111 V112 A116P111-K114 HydrophobicContact CB-CD 4.49Å; P111-K114 HydrophobicContact CB-CG 4.47Å; P111-K114 HydrophobicContact CG-CD 4.28Å; P111-K114 PolarHBondContact O-N 2.7Å; V112-K114 PolarHBondContact O-N 3.38Å; K114-A116 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact O-N 3.09Å
115I98Very high96.1Very high25 Ų2570.6 Ų70.613%0.12840%0.395CS..  trans-73.5105.1176.9-61.4172.6000109F108 P111 V112 W120 A165F108-I115 HydrophobicContact CZ-CG2 4.31Å; P111-I115 PolarHBondContact O-N 3.45Å; V112-I115 PolarHBondContact O-N 3.38Å; I115-W120 HydrophobicContact CG2-CB 3.9Å; I115-W120 HydrophobicContact CG2-CE3 4.39Å; I115-A165 HydrophobicContact CD1-CB 4.48Å
116A98.1Very high96.5Very high66 Ų6669.6 Ų69.655%0.54538%0.381SS..  trans-62.9145.8172.500000111.4K114 K118 G119 W120K114-A116 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact O-N 3.09Å; A116-K118 PolarHBondContact O-N 3.38Å; A116-G119 WeakPolarHBondContact O-CA 3.18Å; A116-G119 PolarHBondContact O-N 3.3Å; A116-W120 PolarHBondContact O-N 2.98Å
117S98.3Very high97Very high85 Ų8567.8 Ų67.859%0.59436%0.362SS*.Hα-helixtrans-51.2-34.8179.2-59.80000114.1K121S117-K121 WeakPolarHBondContact O-CB 3.4Å; S117-K121 VanDerWaalsContact O-CG 3.31Å; S117-K121 WeakPolarHBondContact O-CG 3.34Å; S117-K121 PolarHBondContact O-N 3.25Å
118K98.2Very high97.3Very high182 Ų18266.5 Ų66.579%0.79136%0.357SS*.Hα-helixtrans-67.9-41.2175.8-175.3179.9179.8179.50112A116 A122A116-K118 PolarHBondContact O-N 3.38Å; K118-A122 WeakPolarHBondContact O-CB 3.36Å; K118-A122 PolarHBondContact O-N 2.83Å
119G97.5Very high97.7Very high15 Ų1564.6 Ų64.616%0.15535%0.352CS..Hα-helixtrans-66.9-44.1176.400000111.7A116 A122 V123A116-G119 WeakPolarHBondContact O-CA 3.18Å; A116-G119 PolarHBondContact O-N 3.3Å; G119-A122 PolarHBondContact O-N 3.36Å; G119-V123 PolarHBondContact O-N 3.4Å; G119-V123 VanDerWaalsContact O-N 3.16Å
120W98.6Very high98Very high100 Ų10060.6 Ų60.638%0.37932%0.324SS..Hα-helixtrans-54.4-57172.4177.5-89.4000111.6I115 A116 A122 V123 I124 H166 A169I115-W120 HydrophobicContact CG2-CB 3.9Å; I115-W120 HydrophobicContact CG2-CE3 4.39Å; A116-W120 PolarHBondContact O-N 2.98Å; W120-A122 VanDerWaalsContact C-N 3.32Å; W120-A122 PolarHBondContact O-N 3.25Å; W120-V123 PolarHBondContact O-N 2.66Å; W120-I124 HydrophobicContact CD2-CG1 4.35Å; W120-I124 HydrophobicContact CG-CG1 4.42Å; W120-I124 HydrophobicContact CZ2-CD1 3.98Å; W120-I124 HydrophobicContact CZ2-CG1 4.21Å; W120-I124 WeakPolarHBondContact O-CG1 3.39Å; W120-I124 PolarHBondContact O-N 3.07Å; W120-H166 HydrophobicContact CD2-CB 4.24Å; W120-H166 HydrophobicContact CE3-CB 3.61Å; W120-H166 HydrophobicContact CZ3-CB 3.86Å; W120-A169 HydrophobicContact CH2-CB 3.96Å; W120-A169 HydrophobicContact CZ2-CB 4.43Å
121K98.4Very high98.2Very high120 Ų12059.9 Ų59.952%0.52232%0.319SS..Hα-helixtrans-58.4-42.1179.6-73.6-178.4176.179.20112S117 V123 I124 D125S117-K121 WeakPolarHBondContact O-CB 3.4Å; S117-K121 VanDerWaalsContact O-CG 3.31Å; S117-K121 WeakPolarHBondContact O-CG 3.34Å; S117-K121 PolarHBondContact O-N 3.25Å; K121-V123 VanDerWaalsContact C-N 3.31Å; K121-V123 PolarHBondContact O-N 3.28Å; K121-I124 PolarHBondContact O-N 3.28Å; K121-D125 WeakPolarHBondContact O-CB 3.49Å; K121-D125 PolarHBondContact O-N 3.22Å
122A98.1Very high98.4Very high34 Ų3461.2 Ų61.228%0.28132%0.319SS..Hα-helixtrans-58.7-41.8178.600000112.6K118 G119 W120 T126K118-A122 WeakPolarHBondContact O-CB 3.36Å; K118-A122 PolarHBondContact O-N 2.83Å; G119-A122 PolarHBondContact O-N 3.36Å; W120-A122 VanDerWaalsContact C-N 3.32Å; W120-A122 PolarHBondContact O-N 3.25Å; A122-T126 WeakPolarHBondContact O-CB 3.24Å; A122-T126 PolarHBondContact O-N 2.74Å; A122-T126 PolarHBondContact O-OG1 2.87Å
123V98.3Very high98.4Very high6 Ų659.4 Ų59.44%0.03630%0.303CS..Hα-helixtrans-71-47.3177.3174.30000110.6F108 G119 W120 K121 T126 N127 H166F108-V123 HydrophobicContact CD1-CG2 4.09Å; F108-V123 HydrophobicContact CE1-CG2 3.78Å; G119-V123 PolarHBondContact O-N 3.4Å; G119-V123 VanDerWaalsContact O-N 3.16Å; W120-V123 PolarHBondContact O-N 2.66Å; K121-V123 VanDerWaalsContact C-N 3.31Å; K121-V123 PolarHBondContact O-N 3.28Å; V123-T126 PolarHBondContact O-N 2.89Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.27Å; V123-N127 WeakPolarHBondContact O-CB 3.28Å; V123-N127 PolarHBondContact O-N 3.36Å; V123-N127 PolarHBondContact O-ND2 2.99Å; V123-H166 HydrophobicContact CB-CB 3.91Å; V123-H166 HydrophobicContact CG1-CB 3.76Å; V123-H166 HydrophobicContact CG2-CB 4.46Å
124I98.7Very high98.5Very high31 Ų3152.6 Ų52.616%0.15927%0.271CS..Hα-helixtrans-59.5-52.2178-64.8-67.7000111.1W120 K121 T126 N127 L128 T129 A169 A170W120-I124 HydrophobicContact CD2-CG1 4.35Å; W120-I124 HydrophobicContact CG-CG1 4.42Å; W120-I124 HydrophobicContact CZ2-CD1 3.98Å; W120-I124 HydrophobicContact CZ2-CG1 4.21Å; W120-I124 WeakPolarHBondContact O-CG1 3.39Å; W120-I124 PolarHBondContact O-N 3.07Å; K121-I124 PolarHBondContact O-N 3.28Å; I124-T126 VanDerWaalsContact C-N 3.31Å; I124-T126 PolarHBondContact O-N 3.41Å; I124-N127 PolarHBondContact O-N 2.82Å; I124-L128 HydrophobicContact CG2-CD2 4.46Å; I124-L128 WeakPolarHBondContact O-CA 3.44Å; I124-L128 WeakPolarHBondContact O-CB 3.36Å; I124-L128 PolarHBondContact O-N 3.16Å; I124-T129 PolarHBondContact O-N 2.9Å; I124-A169 HydrophobicContact CD1-CB 4.43Å; I124-A170 HydrophobicContact CD1-CB 4.14Å
125D98.5Very high98.5Very high49 Ų4945.7 Ų45.726%0.26224%0.241SC..Iπ-helixtrans-60.7-41.1-176.9-66.1-15.5000112R78 K121 T129 G130R78-D125 HydrophobicContact CG-CB 4.09Å; R78-D125 IonicContact CZ-OD2 3.65Å; R78-D125 IonicContact NE-OD2 3.66Å; R78-D125 IonicContact NH2-OD2 2.81Å; R78-D125 PolarHBondContact NH2-OD2 2.56Å; K121-D125 WeakPolarHBondContact O-CB 3.49Å; K121-D125 PolarHBondContact O-N 3.22Å; D125-T129 CarbonylContact O-C 3.2Å; D125-T129 WeakPolarHBondContact O-CB 3.4Å; D125-G130 PolarHBondContact O-N 2.9Å
126T98.4Very high98.6Very high22 Ų2248.1 Ų48.114%0.13525%0.251CS..Iπ-helixtrans-73.5-45.3-177.7-50.20000110.9I77 R78 A122 V123 I124I77-T126 HydrophobicContact CD1-CG2 4.3Å; I77-T126 WeakPolarHBondContact CD1-O 3.32Å; I77-T126 HydrophobicContact CG1-CG2 4.46Å; R78-T126 WeakPolarHBondContact CD-OG1 3.26Å; A122-T126 WeakPolarHBondContact O-CB 3.24Å; A122-T126 PolarHBondContact O-N 2.74Å; A122-T126 PolarHBondContact O-OG1 2.87Å; V123-T126 PolarHBondContact O-N 2.89Å; I124-T126 VanDerWaalsContact C-N 3.31Å; I124-T126 PolarHBondContact O-N 3.41Å
127N98.6Very high98.6Very high0 Ų046.3 Ų46.30%023%0.231CC..Iπ-helixtrans-87.3-39.4-167.5-70.3-53.2000113.5G105 G106 V123 I124 T131 A170 R171 V174G105-N127 WeakPolarHBondContact CA-OD1 3.28Å; G106-N127 PolarHBondContact N-OD1 2.73Å; G106-N127 VanDerWaalsContact N-OD1 3.16Å; G106-N127 PolarHBondContact O-ND2 3.35Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.27Å; V123-N127 WeakPolarHBondContact O-CB 3.28Å; V123-N127 PolarHBondContact O-N 3.36Å; V123-N127 PolarHBondContact O-ND2 2.99Å; I124-N127 PolarHBondContact O-N 2.82Å; N127-T131 WeakPolarHBondContact O-CB 3.32Å; N127-T131 PolarHBondContact O-OG1 2.83Å; N127-A170 HydrophobicContact CB-CB 3.72Å; N127-R171 VanDerWaalsContact CG-NH1 3.33Å; N127-R171 PolarHBondContact O-NH1 2.88Å; N127-R171 PolarHBondContact OD1-NH1 3.45Å; N127-R171 PolarHBondContact OD1-NH2 3.24Å; N127-V174 WeakPolarHBondContact O-CG2 3.41Å
128L98.8Very high98.6Very high44 Ų4442.3 Ų42.323%0.2320%0.203CC..Iπ-helixtrans-97.1-62.3-179.8174.159.5000110.5I124 G130 T131 F132 A170 A173 V174I124-L128 HydrophobicContact CG2-CD2 4.46Å; I124-L128 WeakPolarHBondContact O-CA 3.44Å; I124-L128 WeakPolarHBondContact O-CB 3.36Å; I124-L128 PolarHBondContact O-N 3.16Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 2.88Å; L128-T131 WeakPolarHBondContact O-CB 3.34Å; L128-T131 PolarHBondContact O-N 3.4Å; L128-F132 PolarHBondContact O-N 2.83Å; L128-A170 HydrophobicContact CB-CB 4.34Å; L128-A173 HydrophobicContact CD1-CB 3.64Å; L128-A173 HydrophobicContact CD2-CB 3.67Å; L128-A173 HydrophobicContact CG-CB 4.24Å; L128-V174 HydrophobicContact CD1-CG2 3.93Å
129T98.9Very high98.7Very high36 Ų3635.5 Ų35.522%0.22117%0.173CC..Iπ-helixtrans-63.1-41.4-173.6-48.20000111.5I124 D125 F132 Y133I124-T129 PolarHBondContact O-N 2.9Å; D125-T129 CarbonylContact O-C 3.2Å; D125-T129 WeakPolarHBondContact O-CB 3.4Å; T129-F132 WeakPolarHBondContact O-CB 3.38Å; T129-F132 PolarHBondContact O-N 3.15Å; T129-Y133 HydrophobicContact CG2-CD2 4.24Å; T129-Y133 HydrophobicContact CG2-CE1 3.95Å; T129-Y133 HydrophobicContact CG2-CE2 3.64Å; T129-Y133 VanDerWaalsContact CG2-CZ 3.47Å; T129-Y133 PolarHBondContact O-N 2.86Å
130G98.9Very high98.7Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-64.9-39.8176.500000113.5I77 D125 L128 F132 Y133 C134I77-G130 WeakPolarHBondContact O-CA 3.5Å; D125-G130 PolarHBondContact O-N 2.9Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 2.88Å; G130-F132 VanDerWaalsContact C-N 3.33Å; G130-F132 PolarHBondContact O-N 3.24Å; G130-Y133 PolarHBondContact O-N 3.47Å; G130-C134 PolarHBondContact O-N 3.36Å; G130-C134 PolarHBondContact O-SG 3.4Å; G130-C134 VanDerWaalsContact O-SG 3.34Å
131T98.9Very high98.7Very high4 Ų435.7 Ų35.73%0.02519%0.186CC..Hα-helixtrans-59.3-46.2171.6-63.50000110.7N102 N127 L128 C134 C135 V174N102-T131 HydrophobicContact CB-CG2 4.02Å; N127-T131 WeakPolarHBondContact O-CB 3.32Å; N127-T131 PolarHBondContact O-OG1 2.83Å; L128-T131 WeakPolarHBondContact O-CB 3.34Å; L128-T131 PolarHBondContact O-N 3.4Å; T131-C134 PolarHBondContact O-N 2.95Å; T131-C135 WeakPolarHBondContact O-CB 3.42Å; T131-C135 PolarHBondContact O-N 2.97Å; T131-C135 PolarHBondContact O-SG 2.87Å; T131-V174 HydrophobicContact CG2-CG1 4.03Å; T131-V174 HydrophobicContact CG2-CG2 4.24Å
132F98.9Very high98.8Very high86 Ų8632.3 Ų32.338%0.37717%0.17SC..Hα-helixtrans-58.9-48.2176.1164.6-105.4000112.1L128 T129 G130 C134 C135 K136 L177L128-F132 PolarHBondContact O-N 2.83Å; T129-F132 WeakPolarHBondContact O-CB 3.38Å; T129-F132 PolarHBondContact O-N 3.15Å; G130-F132 VanDerWaalsContact C-N 3.33Å; G130-F132 PolarHBondContact O-N 3.24Å; F132-C134 PolarHBondContact O-N 3.48Å; F132-C135 PolarHBondContact O-N 2.96Å; F132-K136 HydrophobicContact CE1-CD 4.24Å; F132-K136 HydrophobicContact CE2-CB 4.41Å; F132-K136 HydrophobicContact CE2-CD 4.48Å; F132-K136 HydrophobicContact CZ-CD 3.87Å; F132-K136 VanDerWaalsContact O-CB 3.26Å; F132-K136 WeakPolarHBondContact O-CB 3.17Å; F132-K136 PolarHBondContact O-N 2.95Å; F132-L177 HydrophobicContact CB-CD2 4.22Å
133Y98.9Very high98.8Very high52 Ų5230.7 Ų30.720%0.20416%0.157CC..Hα-helixtrans-60-46.5178.1-67.8-22000112E80 T129 G130 K136 E137E80-Y133 HydrophobicContact CB-CD1 4.32Å; E80-Y133 HydrophobicContact CB-CD2 4.06Å; E80-Y133 HydrophobicContact CB-CE1 4.28Å; E80-Y133 HydrophobicContact CB-CE2 4.01Å; E80-Y133 HydrophobicContact CB-CG 4.23Å; E80-Y133 HydrophobicContact CG-CD1 4.16Å; E80-Y133 HydrophobicContact CG-CE1 4.37Å; E80-Y133 HydrophobicContact CG-CG 4.32Å; T129-Y133 HydrophobicContact CG2-CD2 4.24Å; T129-Y133 HydrophobicContact CG2-CE1 3.95Å; T129-Y133 HydrophobicContact CG2-CE2 3.64Å; T129-Y133 VanDerWaalsContact CG2-CZ 3.47Å; T129-Y133 PolarHBondContact O-N 2.86Å; G130-Y133 PolarHBondContact O-N 3.47Å; Y133-K136 PolarHBondContact O-N 3.27Å; Y133-E137 VanDerWaalsContact O-CB 3.31Å; Y133-E137 WeakPolarHBondContact O-CB 3.44Å; Y133-E137 PolarHBondContact O-N 3.49Å
134C98.9Very high98.8Very high3 Ų336.1 Ų36.12%0.0218%0.18CC..Hα-helixtrans-60.9-47.4177.8-68.80000111.8L100 N102 G130 T131 F132 E137 V138L100-C134 HydrophobicContact CD1-CB 4.38Å; L100-C134 HydrophobicContact CD2-CB 4.02Å; N102-C134 VanDerWaalsContact OD1-CB 3.28Å; N102-C134 WeakPolarHBondContact OD1-CB 3.48Å; G130-C134 PolarHBondContact O-N 3.36Å; G130-C134 PolarHBondContact O-SG 3.4Å; G130-C134 VanDerWaalsContact O-SG 3.34Å; T131-C134 PolarHBondContact O-N 2.95Å; F132-C134 PolarHBondContact O-N 3.48Å; C134-E137 PolarHBondContact O-N 3.42Å; C134-V138 WeakPolarHBondContact O-CG1 3.48Å; C134-V138 WeakPolarHBondContact O-CG2 3.35Å; C134-V138 PolarHBondContact O-N 2.96Å; C134-V138 VanDerWaalsContact O-N 3.09Å
135C98.9Very high98.8Very high0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-61-49.6177.8-70.20000112.1N102 T131 F132 E137 V138 Y139 I150 M181 W185N102-C135 PolarHBondContact ND2-SG 2.86Å; T131-C135 WeakPolarHBondContact O-CB 3.42Å; T131-C135 PolarHBondContact O-N 2.97Å; T131-C135 PolarHBondContact O-SG 2.87Å; F132-C135 PolarHBondContact O-N 2.96Å; C135-E137 VanDerWaalsContact C-N 3.31Å; C135-E137 PolarHBondContact O-N 3.46Å; C135-V138 WeakPolarHBondContact O-CG2 3.26Å; C135-Y139 VanDerWaalsContact O-CB 3.3Å; C135-Y139 WeakPolarHBondContact O-CB 3.31Å; C135-Y139 PolarHBondContact O-N 2.93Å; C135-I150 HydrophobicContact CB-CD1 4.5Å; C135-M181 HydrophobicContact CB-CE 4.09Å; C135-M181 HydrophobicContact CB-SD 3.64Å; C135-W185 HydrophobicContact CB-CH2 3.81Å; C135-W185 HydrophobicContact CB-CZ3 4.07Å; C135-W185 WeakPolarHBondContact O-CH2 3.42Å
136K98.9Very high98.8Very high75 Ų7545.1 Ų45.133%0.32622%0.219SC..Hα-helixtrans-56.6-47.7179.3177.4-172.4171.6-165.50110.6E80 F132 Y133 Y139 T140E80-K136 IonicContact OE1-NZ 2.73Å; E80-K136 PolarHBondContact OE1-NZ 3.46Å; F132-K136 HydrophobicContact CE1-CD 4.24Å; F132-K136 HydrophobicContact CE2-CB 4.41Å; F132-K136 HydrophobicContact CE2-CD 4.48Å; F132-K136 HydrophobicContact CZ-CD 3.87Å; F132-K136 VanDerWaalsContact O-CB 3.26Å; F132-K136 WeakPolarHBondContact O-CB 3.17Å; F132-K136 PolarHBondContact O-N 2.95Å; Y133-K136 PolarHBondContact O-N 3.27Å; K136-Y139 WeakPolarHBondContact O-CB 3.32Å; K136-Y139 PolarHBondContact O-N 2.71Å; K136-T140 HydrophobicContact CG-CG2 4.5Å; K136-T140 WeakPolarHBondContact O-CG2 3.28Å; K136-T140 PolarHBondContact O-N 3.16Å; K136-T140 PolarHBondContact O-OG1 3.06Å
137E98.9Very high98.9Very high29 Ų2944.6 Ų44.614%0.13622%0.219CC..Hα-helixtrans-70-44.3-174.1-173.259.7-155.100112.6V83 K84 V87 Y133 C134 C135 Y139 T140 A141V83-E137 HydrophobicContact CG1-CB 3.82Å; V83-E137 HydrophobicContact CG1-CG 4.21Å; K84-E137 VanDerWaalsContact CG-CD 3.48Å; K84-E137 HydrophobicContact CG-CG 4.26Å; K84-E137 VanDerWaalsContact CG-OE2 3.27Å; K84-E137 WeakPolarHBondContact CG-OE2 3.39Å; V87-E137 HydrophobicContact CB-CG 3.64Å; V87-E137 HydrophobicContact CG1-CG 3.96Å; V87-E137 HydrophobicContact CG2-CB 4.13Å; V87-E137 HydrophobicContact CG2-CG 3.59Å; Y133-E137 VanDerWaalsContact O-CB 3.31Å; Y133-E137 WeakPolarHBondContact O-CB 3.44Å; Y133-E137 PolarHBondContact O-N 3.49Å; C134-E137 PolarHBondContact O-N 3.42Å; C135-E137 VanDerWaalsContact C-N 3.31Å; C135-E137 PolarHBondContact O-N 3.46Å; E137-Y139 PolarHBondContact O-N 2.88Å; E137-T140 PolarHBondContact O-N 2.83Å; E137-T140 PolarHBondContact O-OG1 3.43Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.01Å
138V98.9Very high98.9Very high1 Ų145.3 Ų45.31%0.00623%0.226CC..Hα-helixtrans-64.6-32.7175.8-59.60000111.7I18 V87 I97 L100 C134 C135 W142 M143 I150I18-V138 HydrophobicContact CD1-CG1 4.28Å; V87-V138 HydrophobicContact CG2-CG1 3.84Å; I97-V138 HydrophobicContact CD1-CG1 4.37Å; I97-V138 HydrophobicContact CG2-CG1 4.4Å; L100-V138 HydrophobicContact CB-CG2 4.33Å; L100-V138 HydrophobicContact CD2-CG1 4.15Å; L100-V138 HydrophobicContact CD2-CG2 3.63Å; C134-V138 WeakPolarHBondContact O-CG1 3.48Å; C134-V138 WeakPolarHBondContact O-CG2 3.35Å; C134-V138 PolarHBondContact O-N 2.96Å; C134-V138 VanDerWaalsContact O-N 3.09Å; C135-V138 WeakPolarHBondContact O-CG2 3.26Å; V138-W142 PolarHBondContact O-N 3.17Å; V138-W142 VanDerWaalsContact O-N 3.17Å; V138-M143 HydrophobicContact CB-CE 4.41Å; V138-M143 HydrophobicContact CB-SD 4.36Å; V138-M143 HydrophobicContact CG2-CE 4.15Å; V138-M143 HydrophobicContact CG2-SD 3.83Å; V138-M143 PolarHBondContact O-N 3.39Å; V138-I150 HydrophobicContact CG2-CD1 4.23Å
139Y98.9Very high98.9Very high39 Ų3943.8 Ų43.815%0.15322%0.218CC..Iπ-helixtrans-63.8-56.8173.4173.2-102.5000111.2C135 K136 E137 A141 M143 K144 W185 I190C135-Y139 VanDerWaalsContact O-CB 3.3Å; C135-Y139 WeakPolarHBondContact O-CB 3.31Å; C135-Y139 PolarHBondContact O-N 2.93Å; K136-Y139 WeakPolarHBondContact O-CB 3.32Å; K136-Y139 PolarHBondContact O-N 2.71Å; E137-Y139 PolarHBondContact O-N 2.88Å; Y139-A141 PolarHBondContact O-N 3.19Å; Y139-M143 PolarHBondContact O-N 3.24Å; Y139-K144 HydrophobicContact CD1-CB 4.49Å; Y139-K144 HydrophobicContact CD2-CB 3.98Å; Y139-K144 HydrophobicContact CE1-CB 4.22Å; Y139-K144 HydrophobicContact CE1-CD 4Å; Y139-K144 HydrophobicContact CE1-CG 4.27Å; Y139-K144 HydrophobicContact CE2-CB 3.66Å; Y139-K144 HydrophobicContact CE2-CG 3.93Å; Y139-K144 HydrophobicContact CG-CB 4.39Å; Y139-K144 WeakPolarHBondContact O-CB 3.18Å; Y139-K144 PolarHBondContact O-N 3.05Å; Y139-W185 HydrophobicContact CD1-CZ2 4.09Å; Y139-W185 HydrophobicContact CD2-CB 4.46Å; Y139-W185 AromaticContact CD2-CD1 3.92Å; Y139-W185 AromaticContact CD2-CD2 3.63Å; Y139-W185 HydrophobicContact CD2-CD2 3.63Å; Y139-W185 AromaticContact CD2-CE2 3.73Å; Y139-W185 HydrophobicContact CD2-CE3 4.13Å; Y139-W185 AromaticContact CD2-CG 3.78Å; Y139-W185 HydrophobicContact CD2-CG 3.78Å; Y139-W185 HydrophobicContact CD2-CZ2 4.29Å; Y139-W185 AromaticContact CD2-NE1 3.92Å; Y139-W185 AromaticContact CE1-NE1 3.86Å; Y139-W185 HydrophobicContact CE2-CB 4.2Å; Y139-W185 AromaticContact CE2-CD1 3.49Å; Y139-W185 VanDerWaalsContact CE2-CD1 3.49Å; Y139-W185 HydrophobicContact CE2-CD2 4.01Å; Y139-W185 AromaticContact CE2-CG 3.65Å; Y139-W185 HydrophobicContact CE2-CG 3.65Å; Y139-W185 AromaticContact CE2-NE1 3.8Å; Y139-W185 HydrophobicContact CG-CD2 4.04Å; Y139-W185 AromaticContact CG-CE2 3.69Å; Y139-W185 HydrophobicContact CG-CE3 4.45Å; Y139-W185 HydrophobicContact CG-CH2 4.23Å; Y139-W185 AromaticContact CG-CZ2 3.82Å; Y139-W185 HydrophobicContact CG-CZ2 3.82Å; Y139-W185 AromaticContact CZ-CD1 3.67Å; Y139-W185 AromaticContact CZ-NE1 3.75Å; Y139-I190 HydrophobicContact CD2-CD1 3.51Å; Y139-I190 HydrophobicContact CE2-CD1 3.98Å
140T98.8Very high98.9Very high78 Ų7842 Ų4248%0.47921%0.208SC..Iπ-helixtrans-65.6-38.8-174.949.20000112.8K136 E137K136-T140 HydrophobicContact CG-CG2 4.5Å; K136-T140 WeakPolarHBondContact O-CG2 3.28Å; K136-T140 PolarHBondContact O-N 3.16Å; K136-T140 PolarHBondContact O-OG1 3.06Å; E137-T140 PolarHBondContact O-N 2.83Å; E137-T140 PolarHBondContact O-OG1 3.43Å
141A98.8Very high98.9Very high41 Ų4142 Ų4234%0.33921%0.208SC..Iπ-helixtrans-82.3-24.6-175.300000113.6V87 L91 E137 Y139V87-A141 HydrophobicContact CG1-CB 3.67Å; L91-A141 HydrophobicContact CD1-CB 3.75Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.01Å; Y139-A141 PolarHBondContact O-N 3.19Å
142W98.9Very high98.9Very high49 Ų4941.9 Ų41.919%0.18621%0.206CC..Iπ-helixtrans-148.8-62.3-172.5-174.8-100.6000114.9L91 G95 R96 I97 V138 K144 Q145 H146L91-W142 HydrophobicContact CD1-CB 4.45Å; L91-W142 HydrophobicContact CD2-CB 4.02Å; L91-W142 HydrophobicContact CD2-CD2 3.82Å; L91-W142 HydrophobicContact CD2-CE3 3.6Å; L91-W142 HydrophobicContact CD2-CG 4.01Å; L91-W142 HydrophobicContact CD2-CZ3 4.38Å; G95-W142 WeakPolarHBondContact O-CH2 3.47Å; G95-W142 WeakPolarHBondContact O-CZ3 3.44Å; R96-W142 HydrophobicContact CB-CH2 4.05Å; R96-W142 HydrophobicContact CB-CZ2 3.44Å; R96-W142 VanDerWaalsContact CB-CZ2 3.44Å; I97-W142 HydrophobicContact CB-CG 4.35Å; I97-W142 PolarHBondContact O-NE1 3.17Å; I97-W142 VanDerWaalsContact O-NE1 3.15Å; V138-W142 PolarHBondContact O-N 3.17Å; V138-W142 VanDerWaalsContact O-N 3.17Å; W142-K144 PolarHBondContact O-N 2.88Å; W142-K144 VanDerWaalsContact O-N 3.15Å; W142-Q145 PolarHBondContact O-N 2.68Å; W142-H146 HydrophobicContact CD2-CB 4.39Å; W142-H146 AromaticContact CD2-CG 4Å; W142-H146 AromaticContact CD2-ND1 3.59Å; W142-H146 AromaticContact CE2-CG 3.58Å; W142-H146 AromaticContact CE2-ND1 3.69Å; W142-H146 AromaticContact CE3-CE1 3.77Å; W142-H146 AromaticContact CE3-ND1 3.71Å; W142-H146 AromaticContact CH2-CD2 3.82Å; W142-H146 AromaticContact CH2-CE1 3.86Å; W142-H146 AromaticContact CH2-NE2 3.71Å; W142-H146 HydrophobicContact CZ2-CB 4.05Å; W142-H146 AromaticContact CZ2-CD2 3.7Å; W142-H146 AromaticContact CZ2-CG 3.62Å; W142-H146 AromaticContact CZ2-ND1 3.94Å; W142-H146 AromaticContact CZ3-CE1 3.64Å; W142-H146 AromaticContact CZ3-ND1 3.95Å; W142-H146 AromaticContact CZ3-NE2 3.91Å; W142-H146 AromaticContact NE1-CG 3.96Å; W142-H146 PolarHBondContact O-N 3.14Å; W142-H146 PolarHBondContact O-ND1 3.04Å
143M98.9Very high98.9Very high0 Ų038.3 Ų38.30%019%0.191CC..Iπ-helixtrans-66.4-25.2-163.4-61.9-175.1170.300113.1I97 L100 V138 Y139 Q145 H146 G147 I150 I190I97-M143 HydrophobicContact CG2-CE 3.96Å; L100-M143 HydrophobicContact CB-CE 4.34Å; V138-M143 HydrophobicContact CB-CE 4.41Å; V138-M143 HydrophobicContact CB-SD 4.36Å; V138-M143 HydrophobicContact CG2-CE 4.15Å; V138-M143 HydrophobicContact CG2-SD 3.83Å; V138-M143 PolarHBondContact O-N 3.39Å; Y139-M143 PolarHBondContact O-N 3.24Å; M143-Q145 PolarHBondContact O-N 3.09Å; M143-Q145 VanDerWaalsContact O-N 3.11Å; M143-H146 PolarHBondContact O-N 3.41Å; M143-G147 WeakPolarHBondContact CA-O 3.42Å; M143-G147 WeakPolarHBondContact CB-O 3.45Å; M143-G147 WeakPolarHBondContact CG-O 3.34Å; M143-G147 WeakPolarHBondContact O-CA 3.4Å; M143-G147 PolarHBondContact O-N 2.91Å; M143-I150 HydrophobicContact CE-CG1 4.38Å; M143-I150 HydrophobicContact SD-CD1 4.13Å; M143-I150 HydrophobicContact SD-CG1 3.98Å; M143-I190 HydrophobicContact CB-CD1 3.44Å; M143-I190 VanDerWaalsContact CB-CD1 3.44Å; M143-I190 HydrophobicContact CB-CG1 4.08Å
144K98.8Very high98.9Very high120 Ų12036.2 Ų36.252%0.52218%0.184SC..Hα-helixtrans-52.3-36176.1180175.4-177.8-178.30112.8Y139 W142 S188Y139-K144 HydrophobicContact CD1-CB 4.49Å; Y139-K144 HydrophobicContact CD2-CB 3.98Å; Y139-K144 HydrophobicContact CE1-CB 4.22Å; Y139-K144 HydrophobicContact CE1-CD 4Å; Y139-K144 HydrophobicContact CE1-CG 4.27Å; Y139-K144 HydrophobicContact CE2-CB 3.66Å; Y139-K144 HydrophobicContact CE2-CG 3.93Å; Y139-K144 HydrophobicContact CG-CB 4.39Å; Y139-K144 WeakPolarHBondContact O-CB 3.18Å; Y139-K144 PolarHBondContact O-N 3.05Å; W142-K144 PolarHBondContact O-N 2.88Å; W142-K144 VanDerWaalsContact O-N 3.15Å; K144-S188 WeakPolarHBondContact O-CB 3.43Å; K144-S188 PolarHBondContact O-OG 3.39Å
145Q98.8Very high98.7Very high166 Ų16636.7 Ų36.778%0.77619%0.188SC*.Hα-helixtrans-100.8-20.2-178.1-67.9176.4-700113.5W142 M143W142-Q145 PolarHBondContact O-N 2.68Å; M143-Q145 PolarHBondContact O-N 3.09Å; M143-Q145 VanDerWaalsContact O-N 3.11Å
146H98.8Very high98.5Very high102 Ų10238.4 Ų38.447%0.47220%0.197SC..Hα-helixtrans-120.3-2.8-167.2-57.992.3000114.1W142 M143W142-H146 HydrophobicContact CD2-CB 4.39Å; W142-H146 AromaticContact CD2-CG 4Å; W142-H146 AromaticContact CD2-ND1 3.59Å; W142-H146 AromaticContact CE2-CG 3.58Å; W142-H146 AromaticContact CE2-ND1 3.69Å; W142-H146 AromaticContact CE3-CE1 3.77Å; W142-H146 AromaticContact CE3-ND1 3.71Å; W142-H146 AromaticContact CH2-CD2 3.82Å; W142-H146 AromaticContact CH2-CE1 3.86Å; W142-H146 AromaticContact CH2-NE2 3.71Å; W142-H146 HydrophobicContact CZ2-CB 4.05Å; W142-H146 AromaticContact CZ2-CD2 3.7Å; W142-H146 AromaticContact CZ2-CG 3.62Å; W142-H146 AromaticContact CZ2-ND1 3.94Å; W142-H146 AromaticContact CZ3-CE1 3.64Å; W142-H146 AromaticContact CZ3-ND1 3.95Å; W142-H146 AromaticContact CZ3-NE2 3.91Å; W142-H146 AromaticContact NE1-CG 3.96Å; W142-H146 PolarHBondContact O-N 3.14Å; W142-H146 PolarHBondContact O-ND1 3.04Å; M143-H146 PolarHBondContact O-N 3.41Å
147G98.8Very high98.3Very high12 Ų1235.6 Ų35.612%0.12419%0.185CC..  trans67.6-175.7-168.300000112.7M143 S188M143-G147 WeakPolarHBondContact CA-O 3.42Å; M143-G147 WeakPolarHBondContact CB-O 3.45Å; M143-G147 WeakPolarHBondContact CG-O 3.34Å; M143-G147 WeakPolarHBondContact O-CA 3.4Å; M143-G147 PolarHBondContact O-N 2.91Å; G147-S188 WeakPolarHBondContact CA-O 3.42Å; G147-S188 PolarHBondContact N-O 3.39Å
148G98.8Very high98.1Very high14 Ų1437.9 Ų37.914%0.14419%0.193CC..EExtended strand (participates in β ladder)trans164176.4179.800000112.7D98 I190 R191D98-G148 WeakPolarHBondContact O-CA 3.39Å; G148-I190 WeakPolarHBondContact O-CA 3.45Å; G148-R191 PolarHBondContact O-N 3.17Å
149V98.9Very high97.8Very high12 Ų1243.4 Ų43.47%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-129.5130174.5-167.20000110.1D98 Y99 L100 I151 R191 L243D98-V149 PolarHBondContact O-N 3.49Å; Y99-V149 WeakPolarHBondContact CA-O 3.42Å; Y99-V149 HydrophobicContact CD1-CB 3.93Å; Y99-V149 HydrophobicContact CD1-CG2 4.15Å; Y99-V149 HydrophobicContact CE1-CB 4.3Å; Y99-V149 HydrophobicContact CE1-CG2 4.03Å; L100-V149 PolarHBondContact N-O 2.95Å; V149-I151 HydrophobicContact CG1-CD1 4.18Å; V149-R191 CarbonylContact C-O 3.58Å; V149-R191 WeakPolarHBondContact CA-O 3.34Å; V149-R191 HydrophobicContact CG1-CB 4.19Å; V149-R191 VanDerWaalsContact CG2-NH2 3.28Å; V149-L243 HydrophobicContact CB-CD2 3.88Å; V149-L243 HydrophobicContact CG1-CD2 3.82Å
150I99Very high97.7Very high0 Ų043.6 Ų43.60%023%0.231CC..EExtended strand (participates in β ladder)trans-116.4127.5178.5-55.8179.3000108.7L100 C135 V138 M143 W185 I190 R191 V192 N193L100-I150 HydrophobicContact CB-CG1 4.22Å; L100-I150 HydrophobicContact CB-CG2 4.4Å; L100-I150 HydrophobicContact CD2-CG2 4.2Å; L100-I150 HydrophobicContact CG-CG2 4.38Å; L100-I150 CarbonylContact O-C 3.58Å; L100-I150 WeakPolarHBondContact O-CA 3.19Å; C135-I150 HydrophobicContact CB-CD1 4.5Å; V138-I150 HydrophobicContact CG2-CD1 4.23Å; M143-I150 HydrophobicContact CE-CG1 4.38Å; M143-I150 HydrophobicContact SD-CD1 4.13Å; M143-I150 HydrophobicContact SD-CG1 3.98Å; I150-W185 HydrophobicContact CD1-CE3 4.15Å; I150-W185 HydrophobicContact CD1-CZ3 3.64Å; I150-I190 HydrophobicContact CD1-CG2 4.29Å; I150-I190 HydrophobicContact CG1-CG2 4.37Å; I150-R191 PolarHBondContact N-O 3.33Å; I150-V192 HydrophobicContact CB-CB 4.49Å; I150-V192 HydrophobicContact CB-CG1 4.1Å; I150-V192 HydrophobicContact CB-CG2 4.21Å; I150-V192 HydrophobicContact CD1-CG2 4.23Å; I150-V192 HydrophobicContact CG1-CG2 4.48Å; I150-V192 HydrophobicContact CG2-CG1 4.23Å; I150-V192 WeakPolarHBondContact O-CA 3.4Å; I150-N193 PolarHBondContact O-N 3.16Å
151I98.9Very high97.6Very high0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-118.7122.4173.6-53.9-61.4000109.6L100 V101 N102 V149 I153 N193 V195 V239 L242 L243L100-I151 PolarHBondContact O-N 2.88Å; V101-I151 CarbonylContact C-O 3.6Å; V101-I151 VanDerWaalsContact CA-O 3.32Å; V101-I151 WeakPolarHBondContact CA-O 3.35Å; N102-I151 PolarHBondContact N-O 3.47Å; V149-I151 HydrophobicContact CG1-CD1 4.18Å; I151-I153 HydrophobicContact CG2-CD1 4.18Å; I151-N193 CarbonylContact C-O 3.48Å; I151-N193 WeakPolarHBondContact CA-O 3.38Å; I151-N193 HydrophobicContact CD1-CB 3.91Å; I151-V195 HydrophobicContact CG2-CG2 3.95Å; I151-V239 HydrophobicContact CB-CG1 4.42Å; I151-V239 HydrophobicContact CG1-CG1 4.44Å; I151-V239 HydrophobicContact CG2-CG1 4.22Å; I151-V239 HydrophobicContact CG2-CG2 4.18Å; I151-L242 HydrophobicContact CD1-CB 3.48Å; I151-L242 VanDerWaalsContact CD1-CB 3.48Å; I151-L242 HydrophobicContact CD1-CD1 4.21Å; I151-L242 HydrophobicContact CD1-CG 4.49Å; I151-L242 HydrophobicContact CG1-CB 4.41Å; I151-L243 HydrophobicContact CD1-CD2 4.42Å; I151-L243 HydrophobicContact CG1-CD2 3.55Å; I151-L243 HydrophobicContact CG1-CG 3.86Å
152N98.9Very high97.4Very high0 Ų045.8 Ų45.80%024%0.238CC..EExtended strand (participates in β ladder)trans-100.1120.1176-58.2-46.3000110N102 I154 V174 T178 N193 A194 V195N102-N152 WeakPolarHBondContact CB-OD1 3.44Å; N102-N152 PolarHBondContact ND2-OD1 3.4Å; N152-I154 HydrophobicContact CB-CG2 4.47Å; N152-I154 PolarHBondContact O-N 3.47Å; N152-V174 HydrophobicContact CB-CG1 3.66Å; N152-T178 PolarHBondContact ND2-OG1 3.4Å; N152-N193 PolarHBondContact N-O 3.07Å; N152-A194 HydrophobicContact CB-CB 4.25Å; N152-A194 CarbonylContact O-C 3.31Å; N152-A194 WeakPolarHBondContact O-CA 3.38Å; N152-A194 WeakPolarHBondContact O-CB 3.18Å; N152-V195 PolarHBondContact O-N 3.49Å
153I98.9Very high97.2Very high11 Ų1144.6 Ų44.66%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-82.5113.4171.4-52.1-53.2000108I30 V101 N102 N103 I151 V195 P197 V239I30-I153 HydrophobicContact CD1-CD1 4.06Å; I30-I153 HydrophobicContact CD1-CG1 4.22Å; V101-I153 HydrophobicContact CG1-CD1 4.39Å; V101-I153 HydrophobicContact CG1-CG1 4.15Å; N102-I153 PolarHBondContact O-N 3.36Å; N103-I153 HydrophobicContact CB-CB 4.15Å; N103-I153 HydrophobicContact CB-CG1 3.72Å; I151-I153 HydrophobicContact CG2-CD1 4.18Å; I153-V195 HydrophobicContact CD1-CB 3.96Å; I153-P197 HydrophobicContact CG2-CG 3.89Å; I153-V239 HydrophobicContact CD1-CG2 3.65Å
154I98.4Very high97Very high9 Ų945.7 Ų45.75%0.04625%0.246CC..  trans-106.6-143.8178.264.8165.7000110.7N152 R171 V174 D175 A194 V195 A196 P197 T254N152-I154 HydrophobicContact CB-CG2 4.47Å; N152-I154 PolarHBondContact O-N 3.47Å; I154-R171 HydrophobicContact CB-CB 4.15Å; I154-R171 HydrophobicContact CB-CG 4.32Å; I154-V174 HydrophobicContact CG2-CB 3.95Å; I154-V174 HydrophobicContact CG2-CG1 3.56Å; I154-D175 HydrophobicContact CD1-CB 4.05Å; I154-A194 HydrophobicContact CD1-CB 4.3Å; I154-A194 HydrophobicContact CG1-CB 4.32Å; I154-A194 HydrophobicContact CG2-CB 4.36Å; I154-V195 WeakPolarHBondContact CG1-O 3.31Å; I154-V195 PolarHBondContact N-O 2.95Å; I154-A196 HydrophobicContact CD1-CB 4.03Å; I154-A196 HydrophobicContact CG1-CB 3.74Å; I154-P197 WeakPolarHBondContact O-CD 3.12Å; I154-T254 HydrophobicContact CD1-CG2 3.65Å; I154-T254 HydrophobicContact CG1-CG2 4.38Å
155A96.1Very high97Very high13 Ų1341.3 Ų41.311%0.10723%0.232CC..  trans-148.8165.4173.200000109.4M157 F161 R171A155-M157 PolarHBondContact O-N 3.13Å; A155-F161 HydrophobicContact CB-CE2 3.79Å; A155-R171 HydrophobicContact CB-CG 4.07Å
156D93.4Very high97Very high36 Ų3633.4 Ų33.419%0.19320%0.195CC..  trans-65.292.7168.3-177.66.6000111.3P197 S262D156-P197 PolarHBondContact N-O 3.19Å; D156-S262 WeakPolarHBondContact OD1-CB 3.36Å; D156-S262 WeakPolarHBondContact OD2-CA 3.43Å; D156-S262 VanDerWaalsContact OD2-CB 3.24Å; D156-S262 WeakPolarHBondContact OD2-CB 3.45Å; D156-S262 PolarHBondContact OD2-N 2.66Å; D156-S262 VanDerWaalsContact OD2-N 3.17Å
157M94.6Very high96.9Very high15 Ų1528.5 Ų28.57%0.07417%0.173CC..  trans-113.31.5-175.759.967-175.200113.7A155 K159 G160 R171 S172 D175A155-M157 PolarHBondContact O-N 3.13Å; M157-K159 PolarHBondContact O-N 2.72Å; M157-G160 WeakPolarHBondContact O-CA 3.37Å; M157-G160 PolarHBondContact O-N 3.3Å; M157-R171 HydrophobicContact CG-CB 4.33Å; M157-S172 PolarHBondContact SD-OG 3.3Å; M157-D175 HydrophobicContact CE-CB 3.8Å
158W95Very high96.9Very high78 Ų7828.2 Ų28.230%0.29517%0.17SC..THydrogen-bonded Turntrans-62.4-24.4-162.5-54.1106.5000114.1T254 R256W158-T254 HydrophobicContact CH2-CG2 3.89Å; W158-T254 HydrophobicContact CZ2-CG2 3.62Å; W158-R256 VanDerWaalsContact CE2-CZ 3.42Å; W158-R256 HydrophobicContact CZ2-CG 4.16Å
159K93.9Very high96.9Very high116 Ų11629.6 Ų29.650%0.50418%0.18SC..THydrogen-bonded Turntrans-110.323178.5-65.4171.6173.9163.10111.9M157 S262 L263 Y264M157-K159 PolarHBondContact O-N 2.72Å; K159-S262 WeakPolarHBondContact CD-O 3.33Å; K159-S262 WeakPolarHBondContact CE-O 3.38Å; K159-S262 PolarHBondContact NZ-O 3.25Å; K159-L263 PolarHBondContact NZ-O 2.83Å; K159-Y264 PolarHBondContact NZ-O 3.29Å
160G95.4Very high96.9Very high44 Ų4429 Ų2945%0.45418%0.176SC..  trans79-177.4-16700000112.1M157M157-G160 WeakPolarHBondContact O-CA 3.37Å; M157-G160 PolarHBondContact O-N 3.3Å
161F96.4Very high96.8Very high46 Ų4630 Ų3020%0.20218%0.18CC..  trans-13771.9-179.5-145.1-29.3000111.4A155 G163 M164 A165 T167A155-F161 HydrophobicContact CB-CE2 3.79Å; F161-G163 PolarHBondContact O-N 3.3Å; F161-M164 HydrophobicContact CD1-CB 3.88Å; F161-M164 HydrophobicContact CD1-CE 3.94Å; F161-M164 HydrophobicContact CE1-CB 4.29Å; F161-M164 HydrophobicContact CE1-CE 3.2Å; F161-M164 HydrophobicContact CE1-SD 4.37Å; F161-M164 HydrophobicContact CG-CB 4.18Å; F161-M164 HydrophobicContact CZ-CE 3.7Å; F161-M164 CarbonylContact O-C 3.6Å; F161-M164 WeakPolarHBondContact O-CA 3.31Å; F161-M164 PolarHBondContact O-N 2.97Å; F161-A165 PolarHBondContact O-N 2.85Å; F161-T167 HydrophobicContact CD2-CG2 3.8Å; F161-T167 HydrophobicContact CE2-CG2 3.68Å
162P95.3Very high96.8Very high119 Ų11932.1 Ų32.177%0.77320%0.195SC*.THydrogen-bonded Turntrans-54.5138.5179.8-24.935.2000112.3M164P162-M164 PolarHBondContact O-N 3.46Å
163G94.6Very high96.8Very high23 Ų2333.7 Ų33.724%0.23721%0.208CC..THydrogen-bonded Turntrans73.5-3.7-173.600000114.8S109 S110 F161S109-G163 CarbonylContact C-O 3.55Å; S109-G163 WeakPolarHBondContact CA-O 3.49Å; S110-G163 CarbonylContact C-O 3.58Å; S110-G163 PolarHBondContact N-O 3.15Å; S110-G163 CarbonylContact O-C 3.25Å; S110-G163 VanDerWaalsContact O-C 3.25Å; S110-G163 WeakPolarHBondContact O-CA 3.28Å; F161-G163 PolarHBondContact O-N 3.3Å
164M96Very high96.8Very high23 Ų2333.2 Ų33.211%0.11321%0.205CC..  trans-146.845.7177-67.5-169.3-88.400111.6Q107 F108 F161 P162 H166 T167 G168Q107-M164 HydrophobicContact CB-SD 4.17Å; Q107-M164 HydrophobicContact CG-SD 3.89Å; F108-M164 WeakPolarHBondContact O-CG 3.48Å; F161-M164 HydrophobicContact CD1-CB 3.88Å; F161-M164 HydrophobicContact CD1-CE 3.94Å; F161-M164 HydrophobicContact CE1-CB 4.29Å; F161-M164 HydrophobicContact CE1-CE 3.2Å; F161-M164 HydrophobicContact CE1-SD 4.37Å; F161-M164 HydrophobicContact CG-CB 4.18Å; F161-M164 HydrophobicContact CZ-CE 3.7Å; F161-M164 CarbonylContact O-C 3.6Å; F161-M164 WeakPolarHBondContact O-CA 3.31Å; F161-M164 PolarHBondContact O-N 2.97Å; P162-M164 PolarHBondContact O-N 3.46Å; M164-H166 PolarHBondContact O-N 2.91Å; M164-H166 VanDerWaalsContact O-N 3.11Å; M164-T167 WeakPolarHBondContact O-CA 3.49Å; M164-T167 VanDerWaalsContact O-CB 3.29Å; M164-T167 WeakPolarHBondContact O-CB 3.15Å; M164-T167 PolarHBondContact O-N 3.15Å; M164-G168 PolarHBondContact O-N 2.95Å; M164-G168 VanDerWaalsContact O-N 3.15Å
165A98Very high96.9Very high28 Ų2833.1 Ų33.123%0.23121%0.205CC..Hα-helixtrans-55.4-35.5-172.900000114V112 I115 F161 T167 G168 A169V112-A165 HydrophobicContact CG2-CB 3.53Å; I115-A165 HydrophobicContact CD1-CB 4.48Å; F161-A165 PolarHBondContact O-N 2.85Å; A165-T167 PolarHBondContact O-N 3.08Å; A165-G168 PolarHBondContact O-N 2.93Å; A165-A169 WeakPolarHBondContact O-CB 3.22Å; A165-A169 PolarHBondContact O-N 3.01Å
166H98.1Very high97Very high0 Ų037.1 Ų37.10%023%0.225CC..Hα-helixtrans-58.9-32.4173.852.326.5000113.5F108 W120 V123 M164 A170F108-H166 AromaticContact CD1-NE2 3.6Å; F108-H166 AromaticContact CD2-NE2 3.76Å; F108-H166 AromaticContact CE1-CD2 3.72Å; F108-H166 AromaticContact CE1-NE2 3.34Å; F108-H166 VanDerWaalsContact CE1-NE2 3.34Å; F108-H166 WeakPolarHBondContact CE1-NE2 3.39Å; F108-H166 AromaticContact CE2-NE2 3.5Å; F108-H166 AromaticContact CG-NE2 3.8Å; F108-H166 AromaticContact CZ-CD2 3.55Å; F108-H166 AromaticContact CZ-NE2 3.28Å; F108-H166 VanDerWaalsContact CZ-NE2 3.28Å; F108-H166 WeakPolarHBondContact CZ-NE2 3.36Å; F108-H166 PolarHBondContact O-CE1 2.71Å; F108-H166 PolarHBondContact O-NE2 2.84Å; W120-H166 HydrophobicContact CD2-CB 4.24Å; W120-H166 HydrophobicContact CE3-CB 3.61Å; W120-H166 HydrophobicContact CZ3-CB 3.86Å; V123-H166 HydrophobicContact CB-CB 3.91Å; V123-H166 HydrophobicContact CG1-CB 3.76Å; V123-H166 HydrophobicContact CG2-CB 4.46Å; M164-H166 PolarHBondContact O-N 2.91Å; M164-H166 VanDerWaalsContact O-N 3.11Å; H166-A170 VanDerWaalsContact O-CB 3.32Å; H166-A170 WeakPolarHBondContact O-CB 3.5Å; H166-A170 PolarHBondContact O-N 3.25Å
167T97.4Very high97.2Very high0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-79.1-48.2-179.2-62.90000108.6Q107 F161 M164 A165 A169 A170 R171Q107-T167 HydrophobicContact CB-CG2 4.4Å; Q107-T167 WeakPolarHBondContact CB-OG1 3.5Å; F161-T167 HydrophobicContact CD2-CG2 3.8Å; F161-T167 HydrophobicContact CE2-CG2 3.68Å; M164-T167 WeakPolarHBondContact O-CA 3.49Å; M164-T167 VanDerWaalsContact O-CB 3.29Å; M164-T167 WeakPolarHBondContact O-CB 3.15Å; M164-T167 PolarHBondContact O-N 3.15Å; A165-T167 PolarHBondContact O-N 3.08Å; T167-A169 VanDerWaalsContact C-N 3.28Å; T167-A169 PolarHBondContact O-N 3.45Å; T167-A170 PolarHBondContact O-N 3.46Å; T167-R171 HydrophobicContact CG2-CG 4.05Å; T167-R171 WeakPolarHBondContact O-CB 3.48Å; T167-R171 WeakPolarHBondContact O-CG 3.04Å; T167-R171 PolarHBondContact O-N 3.16Å
168G98.3Very high97.5Very high6 Ų636.3 Ų36.36%0.06222%0.22CC..Hα-helixtrans-53-48.6174.300000111.3M164 A165 S172M164-G168 PolarHBondContact O-N 2.95Å; M164-G168 VanDerWaalsContact O-N 3.15Å; A165-G168 PolarHBondContact O-N 2.93Å; G168-S172 VanDerWaalsContact O-CB 3.29Å; G168-S172 WeakPolarHBondContact O-CB 3.48Å; G168-S172 PolarHBondContact O-N 2.97Å; G168-S172 PolarHBondContact O-OG 3.15Å
169A98.6Very high97.6Very high43 Ų4337 Ų3736%0.35523%0.225SC..Hα-helixtrans-60.4-52.7176.600000112.4W120 I124 A165 T167 R171 S172 A173W120-A169 HydrophobicContact CH2-CB 3.96Å; W120-A169 HydrophobicContact CZ2-CB 4.43Å; I124-A169 HydrophobicContact CD1-CB 4.43Å; A165-A169 WeakPolarHBondContact O-CB 3.22Å; A165-A169 PolarHBondContact O-N 3.01Å; T167-A169 VanDerWaalsContact C-N 3.28Å; T167-A169 PolarHBondContact O-N 3.45Å; A169-R171 PolarHBondContact O-N 3.33Å; A169-S172 PolarHBondContact O-N 2.73Å; A169-A173 WeakPolarHBondContact O-CB 3.5Å; A169-A173 PolarHBondContact O-N 3.18Å
170A98.8Very high97.9Very high0 Ų033.9 Ų33.90%022%0.216CC..Hα-helixtrans-60.5-44.2-179.400000112.6I124 N127 L128 H166 T167 A173 V174I124-A170 HydrophobicContact CD1-CB 4.14Å; N127-A170 HydrophobicContact CB-CB 3.72Å; L128-A170 HydrophobicContact CB-CB 4.34Å; H166-A170 VanDerWaalsContact O-CB 3.32Å; H166-A170 WeakPolarHBondContact O-CB 3.5Å; H166-A170 PolarHBondContact O-N 3.25Å; T167-A170 PolarHBondContact O-N 3.46Å; A170-A173 PolarHBondContact O-N 3.36Å; A170-V174 WeakPolarHBondContact O-CG2 3.46Å; A170-V174 PolarHBondContact O-N 3.01Å
171R98.5Very high98Very high19 Ų1932.1 Ų32.17%0.07220%0.196CC..Hα-helixtrans-72.1-35.5-177.8-67.4-42.9-168.3-143.5-12.4113.1N127 I154 A155 M157 T167 A169 A173 V174 D175N127-R171 VanDerWaalsContact CG-NH1 3.33Å; N127-R171 PolarHBondContact O-NH1 2.88Å; N127-R171 PolarHBondContact OD1-NH1 3.45Å; N127-R171 PolarHBondContact OD1-NH2 3.24Å; I154-R171 HydrophobicContact CB-CB 4.15Å; I154-R171 HydrophobicContact CB-CG 4.32Å; A155-R171 HydrophobicContact CB-CG 4.07Å; M157-R171 HydrophobicContact CG-CB 4.33Å; T167-R171 HydrophobicContact CG2-CG 4.05Å; T167-R171 WeakPolarHBondContact O-CB 3.48Å; T167-R171 WeakPolarHBondContact O-CG 3.04Å; T167-R171 PolarHBondContact O-N 3.16Å; A169-R171 PolarHBondContact O-N 3.33Å; R171-A173 VanDerWaalsContact C-N 3.31Å; R171-V174 PolarHBondContact O-N 3.14Å; R171-D175 PolarHBondContact O-N 2.89Å
172S98.8Very high98.2Very high45 Ų4530.3 Ų30.332%0.31519%0.19SC..Hα-helixtrans-63.5-40.2171.3-54.90000111.3M157 G168 A169 D175 N176M157-S172 PolarHBondContact SD-OG 3.3Å; G168-S172 VanDerWaalsContact O-CB 3.29Å; G168-S172 WeakPolarHBondContact O-CB 3.48Å; G168-S172 PolarHBondContact O-N 2.97Å; G168-S172 PolarHBondContact O-OG 3.15Å; A169-S172 PolarHBondContact O-N 2.73Å; S172-D175 WeakPolarHBondContact O-CB 3.03Å; S172-D175 PolarHBondContact O-N 2.78Å; S172-N176 PolarHBondContact O-N 2.97Å
173A98.8Very high98.3Very high33 Ų3331 Ų3127%0.27319%0.186SC..Hα-helixtrans-66-38.2175.500000112.2L128 A169 A170 R171 N176 L177L128-A173 HydrophobicContact CD1-CB 3.64Å; L128-A173 HydrophobicContact CD2-CB 3.67Å; L128-A173 HydrophobicContact CG-CB 4.24Å; A169-A173 WeakPolarHBondContact O-CB 3.5Å; A169-A173 PolarHBondContact O-N 3.18Å; A170-A173 PolarHBondContact O-N 3.36Å; R171-A173 VanDerWaalsContact C-N 3.31Å; A173-N176 PolarHBondContact O-N 3.31Å; A173-L177 VanDerWaalsContact O-CB 3.32Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 PolarHBondContact O-N 2.99Å
174V98.9Very high98.5Very high1 Ų136 Ų361%0.00620%0.203CC..Hα-helixtrans-68.3-37.4174.3174.10000112.1N127 L128 T131 N152 I154 A170 R171 N176 L177 T178N127-V174 WeakPolarHBondContact O-CG2 3.41Å; L128-V174 HydrophobicContact CD1-CG2 3.93Å; T131-V174 HydrophobicContact CG2-CG1 4.03Å; T131-V174 HydrophobicContact CG2-CG2 4.24Å; N152-V174 HydrophobicContact CB-CG1 3.66Å; I154-V174 HydrophobicContact CG2-CB 3.95Å; I154-V174 HydrophobicContact CG2-CG1 3.56Å; A170-V174 WeakPolarHBondContact O-CG2 3.46Å; A170-V174 PolarHBondContact O-N 3.01Å; R171-V174 PolarHBondContact O-N 3.14Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-L177 PolarHBondContact O-N 3.34Å; V174-T178 WeakPolarHBondContact O-CB 3.04Å; V174-T178 PolarHBondContact O-N 3.03Å; V174-T178 PolarHBondContact O-OG1 2.93Å
175D98.9Very high98.7Very high8 Ų836.2 Ų36.24%0.04320%0.202CC..Hα-helixtrans-59.3-44.3171.3177.373.3000111.1I154 M157 R171 S172 T178 K179 T254I154-D175 HydrophobicContact CD1-CB 4.05Å; M157-D175 HydrophobicContact CE-CB 3.8Å; R171-D175 PolarHBondContact O-N 2.89Å; S172-D175 WeakPolarHBondContact O-CB 3.03Å; S172-D175 PolarHBondContact O-N 2.78Å; D175-T178 WeakPolarHBondContact O-CB 3.05Å; D175-T178 PolarHBondContact O-N 3.45Å; D175-K179 PolarHBondContact O-N 3.21Å; D175-K179 IonicContact OD1-NZ 3.48Å; D175-K179 VanDerWaalsContact OD2-CE 3.28Å; D175-K179 WeakPolarHBondContact OD2-CE 3.41Å; D175-K179 IonicContact OD2-NZ 3.45Å; D175-K179 PolarHBondContact OD2-NZ 3.17Å; D175-T254 WeakPolarHBondContact OD1-CB 3.15Å; D175-T254 PolarHBondContact OD1-OG1 3.23Å
176N98.9Very high98.7Very high97 Ų9737.7 Ų37.752%0.51922%0.215SC..Hα-helixtrans-65.5-46.2174.8-170.774.8000112.4S172 A173 V174 T178 K179 T180S172-N176 PolarHBondContact O-N 2.97Å; A173-N176 PolarHBondContact O-N 3.31Å; V174-N176 VanDerWaalsContact C-N 3.33Å; N176-T178 PolarHBondContact O-N 3.36Å; N176-K179 WeakPolarHBondContact O-CB 3.06Å; N176-K179 PolarHBondContact O-N 2.9Å; N176-K179 VanDerWaalsContact O-N 3.07Å; N176-T180 PolarHBondContact O-N 3.46Å; N176-T180 PolarHBondContact O-OG1 3.31Å
177L98.9Very high98.7Very high33 Ų3343.2 Ų43.217%0.17325%0.253CS..Hα-helixtrans-57.8-37.6177.2-175.467.5000111.5F132 A173 V174 K179 T180 M181F132-L177 HydrophobicContact CB-CD2 4.22Å; A173-L177 VanDerWaalsContact O-CB 3.32Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 PolarHBondContact O-N 2.99Å; V174-L177 PolarHBondContact O-N 3.34Å; L177-K179 PolarHBondContact O-N 2.6Å; L177-T180 PolarHBondContact O-N 2.86Å; L177-M181 HydrophobicContact CD1-CE 4.47Å; L177-M181 HydrophobicContact CD1-CG 4.13Å; L177-M181 HydrophobicContact CD1-SD 4.17Å; L177-M181 HydrophobicContact CD2-CE 3.92Å; L177-M181 HydrophobicContact CD2-SD 4.25Å; L177-M181 HydrophobicContact CG-CE 3.6Å; L177-M181 HydrophobicContact CG-CG 4.22Å; L177-M181 HydrophobicContact CG-SD 3.91Å; L177-M181 WeakPolarHBondContact O-CB 3.38Å; L177-M181 WeakPolarHBondContact O-CG 3.44Å; L177-M181 PolarHBondContact O-N 3.46Å
178T98.9Very high98.8Very high0 Ų044.1 Ų44.10%026%0.26CS..Hα-helixtrans-56.9-47.9174.6-62.30000111.2N152 V174 D175 N176 A182 V192 N193 A194N152-T178 PolarHBondContact ND2-OG1 3.4Å; V174-T178 WeakPolarHBondContact O-CB 3.04Å; V174-T178 PolarHBondContact O-N 3.03Å; V174-T178 PolarHBondContact O-OG1 2.93Å; D175-T178 WeakPolarHBondContact O-CB 3.05Å; D175-T178 PolarHBondContact O-N 3.45Å; N176-T178 PolarHBondContact O-N 3.36Å; T178-A182 VanDerWaalsContact O-CB 3.3Å; T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 2.96Å; T178-V192 HydrophobicContact CG2-CG1 4.06Å; T178-N193 VanDerWaalsContact CG2-C 3.44Å; T178-A194 HydrophobicContact CG2-CB 4.16Å
179K98.9Very high98.8Very high92 Ų9246.4 Ų46.440%0.428%0.283SS..Hα-helixtrans-65-43.4178.2-62.7165-165.51650111.5D175 N176 L177 A182 I183D175-K179 PolarHBondContact O-N 3.21Å; D175-K179 IonicContact OD1-NZ 3.48Å; D175-K179 VanDerWaalsContact OD2-CE 3.28Å; D175-K179 WeakPolarHBondContact OD2-CE 3.41Å; D175-K179 IonicContact OD2-NZ 3.45Å; D175-K179 PolarHBondContact OD2-NZ 3.17Å; N176-K179 WeakPolarHBondContact O-CB 3.06Å; N176-K179 PolarHBondContact O-N 2.9Å; N176-K179 VanDerWaalsContact O-N 3.07Å; L177-K179 PolarHBondContact O-N 2.6Å; K179-A182 PolarHBondContact O-N 2.92Å; K179-I183 PolarHBondContact O-N 2.72Å
180T98.9Very high98.8Very high51 Ų5144.6 Ų44.631%0.31327%0.268SS..Hα-helixtrans-61.8-52.4178.1-59.80000111.6N176 L177 A182 I183 E184N176-T180 PolarHBondContact O-N 3.46Å; N176-T180 PolarHBondContact O-OG1 3.31Å; L177-T180 PolarHBondContact O-N 2.86Å; T180-A182 VanDerWaalsContact C-N 3.27Å; T180-A182 PolarHBondContact O-N 3.03Å; T180-I183 PolarHBondContact O-N 3.2Å; T180-I183 VanDerWaalsContact O-N 3.08Å; T180-E184 HydrophobicContact CG2-CG 4.34Å; T180-E184 WeakPolarHBondContact CG2-OE1 3.32Å; T180-E184 PolarHBondContact O-N 3.34Å
181M98.9Very high98.8Very high7 Ų746 Ų463%0.03427%0.273CS..Hα-helixtrans-64.3-32-179.7-67.3-176.2-57.600112.3C135 L177 I183 W185 V192C135-M181 HydrophobicContact CB-CE 4.09Å; C135-M181 HydrophobicContact CB-SD 3.64Å; L177-M181 HydrophobicContact CD1-CE 4.47Å; L177-M181 HydrophobicContact CD1-CG 4.13Å; L177-M181 HydrophobicContact CD1-SD 4.17Å; L177-M181 HydrophobicContact CD2-CE 3.92Å; L177-M181 HydrophobicContact CD2-SD 4.25Å; L177-M181 HydrophobicContact CG-CE 3.6Å; L177-M181 HydrophobicContact CG-CG 4.22Å; L177-M181 HydrophobicContact CG-SD 3.91Å; L177-M181 WeakPolarHBondContact O-CB 3.38Å; L177-M181 WeakPolarHBondContact O-CG 3.44Å; L177-M181 PolarHBondContact O-N 3.46Å; M181-I183 PolarHBondContact O-N 3.38Å; M181-W185 HydrophobicContact CB-CD2 4.19Å; M181-W185 HydrophobicContact CB-CE3 3.9Å; M181-W185 HydrophobicContact CB-CZ3 4.09Å; M181-W185 HydrophobicContact CG-CD2 4.47Å; M181-W185 HydrophobicContact CG-CE3 4.25Å; M181-W185 HydrophobicContact CG-CH2 4Å; M181-W185 HydrophobicContact CG-CZ2 4.19Å; M181-W185 HydrophobicContact CG-CZ3 4.02Å; M181-W185 VanDerWaalsContact O-CB 3.3Å; M181-W185 WeakPolarHBondContact O-CB 3.46Å; M181-W185 PolarHBondContact O-N 3.23Å; M181-W185 HydrophobicContact SD-CE3 4.3Å; M181-W185 HydrophobicContact SD-CH2 3.39Å; M181-W185 WeakPolarHBondContact SD-CH2 3.5Å; M181-W185 HydrophobicContact SD-CZ2 4.09Å; M181-W185 HydrophobicContact SD-CZ3 3.5Å; M181-W185 WeakPolarHBondContact SD-CZ3 3.45Å; M181-V192 HydrophobicContact CB-CB 4.39Å; M181-V192 HydrophobicContact CB-CG1 4.2Å; M181-V192 HydrophobicContact CB-CG2 4.06Å; M181-V192 HydrophobicContact CE-CG1 3.84Å
182A98.9Very high98.9Very high8 Ų845.1 Ų45.17%0.06627%0.269CS..Hα-helixtrans-61-30.7174.700000113.2T178 K179 T180 V192 S251T178-A182 VanDerWaalsContact O-CB 3.3Å; T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 2.96Å; K179-A182 PolarHBondContact O-N 2.92Å; T180-A182 VanDerWaalsContact C-N 3.27Å; T180-A182 PolarHBondContact O-N 3.03Å; A182-V192 HydrophobicContact CB-CB 4.33Å; A182-S251 WeakPolarHBondContact CB-OG 3.33Å
183I98.9Very high98.9Very high135 Ų13543 Ų4369%0.69226%0.255SS*.Hα-helixtrans-86.7-52.3176.3-59.7-58.3000110.7K179 T180 M181 W185 A186K179-I183 PolarHBondContact O-N 2.72Å; T180-I183 PolarHBondContact O-N 3.2Å; T180-I183 VanDerWaalsContact O-N 3.08Å; M181-I183 PolarHBondContact O-N 3.38Å; I183-W185 PolarHBondContact O-N 2.95Å; I183-A186 WeakPolarHBondContact O-CB 3.44Å; I183-A186 PolarHBondContact O-N 2.89Å
184E98.9Very high98.9Very high128 Ų12841.4 Ų41.460%0.59824%0.242SC*.Hα-helixtrans-63.9-29-174.6-72-173.9-15500113.1T180T180-E184 HydrophobicContact CG2-CG 4.34Å; T180-E184 WeakPolarHBondContact CG2-OE1 3.32Å; T180-E184 PolarHBondContact O-N 3.34Å
185W98.9Very high98.9Very high26 Ų2641.3 Ų41.310%0.09824%0.241CC..THydrogen-bonded Turntrans-1059.3-178.6-58.4-15.3000113.8C135 Y139 I150 M181 I183 S187 S188 I190 V192C135-W185 HydrophobicContact CB-CH2 3.81Å; C135-W185 HydrophobicContact CB-CZ3 4.07Å; C135-W185 WeakPolarHBondContact O-CH2 3.42Å; Y139-W185 HydrophobicContact CD1-CZ2 4.09Å; Y139-W185 HydrophobicContact CD2-CB 4.46Å; Y139-W185 AromaticContact CD2-CD1 3.92Å; Y139-W185 AromaticContact CD2-CD2 3.63Å; Y139-W185 HydrophobicContact CD2-CD2 3.63Å; Y139-W185 AromaticContact CD2-CE2 3.73Å; Y139-W185 HydrophobicContact CD2-CE3 4.13Å; Y139-W185 AromaticContact CD2-CG 3.78Å; Y139-W185 HydrophobicContact CD2-CG 3.78Å; Y139-W185 HydrophobicContact CD2-CZ2 4.29Å; Y139-W185 AromaticContact CD2-NE1 3.92Å; Y139-W185 AromaticContact CE1-NE1 3.86Å; Y139-W185 HydrophobicContact CE2-CB 4.2Å; Y139-W185 AromaticContact CE2-CD1 3.49Å; Y139-W185 VanDerWaalsContact CE2-CD1 3.49Å; Y139-W185 HydrophobicContact CE2-CD2 4.01Å; Y139-W185 AromaticContact CE2-CG 3.65Å; Y139-W185 HydrophobicContact CE2-CG 3.65Å; Y139-W185 AromaticContact CE2-NE1 3.8Å; Y139-W185 HydrophobicContact CG-CD2 4.04Å; Y139-W185 AromaticContact CG-CE2 3.69Å; Y139-W185 HydrophobicContact CG-CE3 4.45Å; Y139-W185 HydrophobicContact CG-CH2 4.23Å; Y139-W185 AromaticContact CG-CZ2 3.82Å; Y139-W185 HydrophobicContact CG-CZ2 3.82Å; Y139-W185 AromaticContact CZ-CD1 3.67Å; Y139-W185 AromaticContact CZ-NE1 3.75Å; I150-W185 HydrophobicContact CD1-CE3 4.15Å; I150-W185 HydrophobicContact CD1-CZ3 3.64Å; M181-W185 HydrophobicContact CB-CD2 4.19Å; M181-W185 HydrophobicContact CB-CE3 3.9Å; M181-W185 HydrophobicContact CB-CZ3 4.09Å; M181-W185 HydrophobicContact CG-CD2 4.47Å; M181-W185 HydrophobicContact CG-CE3 4.25Å; M181-W185 HydrophobicContact CG-CH2 4Å; M181-W185 HydrophobicContact CG-CZ2 4.19Å; M181-W185 HydrophobicContact CG-CZ3 4.02Å; M181-W185 VanDerWaalsContact O-CB 3.3Å; M181-W185 WeakPolarHBondContact O-CB 3.46Å; M181-W185 PolarHBondContact O-N 3.23Å; M181-W185 HydrophobicContact SD-CE3 4.3Å; M181-W185 HydrophobicContact SD-CH2 3.39Å; M181-W185 WeakPolarHBondContact SD-CH2 3.5Å; M181-W185 HydrophobicContact SD-CZ2 4.09Å; M181-W185 HydrophobicContact SD-CZ3 3.5Å; M181-W185 WeakPolarHBondContact SD-CZ3 3.45Å; I183-W185 PolarHBondContact O-N 2.95Å; W185-S187 VanDerWaalsContact C-N 3.31Å; W185-S187 PolarHBondContact O-N 3Å; W185-S188 WeakPolarHBondContact O-CB 3.4Å; W185-S188 PolarHBondContact O-N 3.39Å; W185-I190 HydrophobicContact CB-CB 4.06Å; W185-I190 HydrophobicContact CB-CD1 4.07Å; W185-I190 HydrophobicContact CB-CG1 4.48Å; W185-I190 HydrophobicContact CE3-CD1 4.39Å; W185-I190 HydrophobicContact CE3-CG2 4.39Å; W185-I190 PolarHBondContact O-N 3.49Å; W185-V192 HydrophobicContact CE3-CG2 4.25Å
186A98.8Very high98.9Very high59 Ų5941 Ų4149%0.48824%0.24SC..G310 helixtrans-58.7-41.3179.200000112.3I183 S188 G189I183-A186 WeakPolarHBondContact O-CB 3.44Å; I183-A186 PolarHBondContact O-N 2.89Å; A186-S188 PolarHBondContact O-N 3.36Å; A186-G189 PolarHBondContact O-N 3.44Å
187S98.7Very high98.8Very high116 Ų11636.9 Ų36.981%0.81122%0.218SC*.G310 helixtrans-66.4-18.6178.960.60000113.7W185 G189W185-S187 VanDerWaalsContact C-N 3.31Å; W185-S187 PolarHBondContact O-N 3Å; S187-G189 VanDerWaalsContact C-N 3.29Å
188S98.8Very high98.7Very high20 Ų2036.1 Ų36.114%0.1422%0.218CC..G310 helixtrans-86.21.7172.5-70.80000112.7K144 G147 W185 A186 I190K144-S188 WeakPolarHBondContact O-CB 3.43Å; K144-S188 PolarHBondContact O-OG 3.39Å; G147-S188 WeakPolarHBondContact CA-O 3.42Å; G147-S188 PolarHBondContact N-O 3.39Å; W185-S188 WeakPolarHBondContact O-CB 3.4Å; W185-S188 PolarHBondContact O-N 3.39Å; A186-S188 PolarHBondContact O-N 3.36Å; S188-I190 VanDerWaalsContact C-N 3.29Å; S188-I190 PolarHBondContact O-N 2.92Å
189G98.8Very high98.5Very high54 Ų5438 Ų3856%0.55723%0.23SC*.THydrogen-bonded Turntrans6829.2-176.700000113A186 S187A186-G189 PolarHBondContact O-N 3.44Å; S187-G189 VanDerWaalsContact C-N 3.29Å
190I98.9Very high98.4Very high4 Ų434.6 Ų34.62%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-96.7130.3-179.6-56.7177.9000109.7Y139 M143 G148 I150 W185 S188 V192Y139-I190 HydrophobicContact CD2-CD1 3.51Å; Y139-I190 HydrophobicContact CE2-CD1 3.98Å; M143-I190 HydrophobicContact CB-CD1 3.44Å; M143-I190 VanDerWaalsContact CB-CD1 3.44Å; M143-I190 HydrophobicContact CB-CG1 4.08Å; G148-I190 WeakPolarHBondContact O-CA 3.45Å; I150-I190 HydrophobicContact CD1-CG2 4.29Å; I150-I190 HydrophobicContact CG1-CG2 4.37Å; W185-I190 HydrophobicContact CB-CB 4.06Å; W185-I190 HydrophobicContact CB-CD1 4.07Å; W185-I190 HydrophobicContact CB-CG1 4.48Å; W185-I190 HydrophobicContact CE3-CD1 4.39Å; W185-I190 HydrophobicContact CE3-CG2 4.39Å; W185-I190 PolarHBondContact O-N 3.49Å; S188-I190 VanDerWaalsContact C-N 3.29Å; S188-I190 PolarHBondContact O-N 2.92Å; I190-V192 HydrophobicContact CG2-CG2 3.81Å
191R98.9Very high98.3Very high30 Ų3032.3 Ų32.311%0.11320%0.201CC..EExtended strand (participates in β ladder)trans-99.9131.7169.3-60.6-172.9-57.598.7-3.2109.7G148 V149 I150 L242 L243 S244 A247 S248 I250 S251G148-R191 PolarHBondContact O-N 3.17Å; V149-R191 CarbonylContact C-O 3.58Å; V149-R191 WeakPolarHBondContact CA-O 3.34Å; V149-R191 HydrophobicContact CG1-CB 4.19Å; V149-R191 VanDerWaalsContact CG2-NH2 3.28Å; I150-R191 PolarHBondContact N-O 3.33Å; R191-L242 VanDerWaalsContact CZ-O 3.3Å; R191-L242 PolarHBondContact NH1-O 3.05Å; R191-L242 PolarHBondContact NH2-O 2.95Å; R191-L243 PolarHBondContact NH2-O 3.42Å; R191-S244 PolarHBondContact NH2-O 3.27Å; R191-A247 WeakPolarHBondContact CD-O 3.5Å; R191-A247 VanDerWaalsContact CZ-O 3.24Å; R191-A247 PolarHBondContact NE-O 3.41Å; R191-A247 PolarHBondContact NH1-O 3.44Å; R191-S248 WeakPolarHBondContact CD-O 3.39Å; R191-I250 PolarHBondContact NH1-O 3.04Å; R191-S251 WeakPolarHBondContact CA-OG 3.43Å
192V98.9Very high98Very high0 Ų032.1 Ų32.10%020%0.201CC..EExtended strand (participates in β ladder)trans-127.5117.1179.4-171.50000108.5I150 T178 M181 A182 W185 I190 S251 G252I150-V192 HydrophobicContact CB-CB 4.49Å; I150-V192 HydrophobicContact CB-CG1 4.1Å; I150-V192 HydrophobicContact CB-CG2 4.21Å; I150-V192 HydrophobicContact CD1-CG2 4.23Å; I150-V192 HydrophobicContact CG1-CG2 4.48Å; I150-V192 HydrophobicContact CG2-CG1 4.23Å; I150-V192 WeakPolarHBondContact O-CA 3.4Å; T178-V192 HydrophobicContact CG2-CG1 4.06Å; M181-V192 HydrophobicContact CB-CB 4.39Å; M181-V192 HydrophobicContact CB-CG1 4.2Å; M181-V192 HydrophobicContact CB-CG2 4.06Å; M181-V192 HydrophobicContact CE-CG1 3.84Å; A182-V192 HydrophobicContact CB-CB 4.33Å; W185-V192 HydrophobicContact CE3-CG2 4.25Å; I190-V192 HydrophobicContact CG2-CG2 3.81Å; V192-S251 PolarHBondContact N-OG 3.25Å; V192-S251 VanDerWaalsContact N-OG 3.16Å; V192-G252 WeakPolarHBondContact O-CA 3.26Å; V192-G252 PolarHBondContact O-N 3.36Å
193N98.9Very high97.6Very high0 Ų037.5 Ų37.50%022%0.223CC..EExtended strand (participates in β ladder)trans-132.9169.3179.4-62.8-72.1000110.3I150 I151 N152 T178 L242 I250 S251 G252 A253I150-N193 PolarHBondContact O-N 3.16Å; I151-N193 CarbonylContact C-O 3.48Å; I151-N193 WeakPolarHBondContact CA-O 3.38Å; I151-N193 HydrophobicContact CD1-CB 3.91Å; N152-N193 PolarHBondContact N-O 3.07Å; T178-N193 VanDerWaalsContact CG2-C 3.44Å; N193-L242 HydrophobicContact CB-CD1 4.28Å; N193-I250 PolarHBondContact ND2-O 3.49Å; N193-S251 VanDerWaalsContact OD1-CA 3.23Å; N193-S251 WeakPolarHBondContact OD1-CA 3.34Å; N193-G252 PolarHBondContact OD1-N 3.15Å; N193-A253 CarbonylContact C-O 3.57Å; N193-A253 WeakPolarHBondContact CA-O 3.47Å; N193-A253 WeakPolarHBondContact CB-O 3.37Å; N193-A253 WeakPolarHBondContact OD1-CB 3.48Å; N193-A253 PolarHBondContact OD1-N 3.28Å
194A98.9Very high97.1Very high0 Ų033 Ų330%020%0.202CC..EExtended strand (participates in β ladder)trans-124.8155172.700000111.5N152 I154 T178 A253 T254 L255N152-A194 HydrophobicContact CB-CB 4.25Å; N152-A194 CarbonylContact O-C 3.31Å; N152-A194 WeakPolarHBondContact O-CA 3.38Å; N152-A194 WeakPolarHBondContact O-CB 3.18Å; I154-A194 HydrophobicContact CD1-CB 4.3Å; I154-A194 HydrophobicContact CG1-CB 4.32Å; I154-A194 HydrophobicContact CG2-CB 4.36Å; T178-A194 HydrophobicContact CG2-CB 4.16Å; A194-A253 PolarHBondContact N-O 3.11Å; A194-T254 HydrophobicContact CB-CG2 4.04Å; A194-T254 CarbonylContact O-C 3.56Å; A194-T254 WeakPolarHBondContact O-CA 3.41Å; A194-L255 PolarHBondContact O-N 2.82Å
195V98.9Very high96.6Very high0 Ų028 Ų280%018%0.183CC..EExtended strand (participates in β ladder)trans-119.6130.8167.6174.90000107.5I151 N152 I153 I154 P197 I235 V239 L242 L255 V257I151-V195 HydrophobicContact CG2-CG2 3.95Å; N152-V195 PolarHBondContact O-N 3.49Å; I153-V195 HydrophobicContact CD1-CB 3.96Å; I154-V195 WeakPolarHBondContact CG1-O 3.31Å; I154-V195 PolarHBondContact N-O 2.95Å; V195-P197 WeakPolarHBondContact O-CD 3.43Å; V195-I235 HydrophobicContact CG1-CG2 4.06Å; V195-V239 HydrophobicContact CB-CG2 4.41Å; V195-V239 HydrophobicContact CG2-CG2 3.96Å; V195-L242 HydrophobicContact CG2-CD1 3.61Å; V195-L255 CarbonylContact C-O 3.59Å; V195-L255 WeakPolarHBondContact CA-O 3.29Å; V195-V257 HydrophobicContact CG1-CG2 3.81Å
196A98.4Very high96.2Very high1 Ų128.4 Ų28.41%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-112.194.7178.600000109.6I154 T254 L255 R256 V257I154-A196 HydrophobicContact CD1-CB 4.03Å; I154-A196 HydrophobicContact CG1-CB 3.74Å; A196-T254 HydrophobicContact CB-CG2 4.02Å; A196-L255 PolarHBondContact N-O 3.11Å; A196-R256 HydrophobicContact CB-CG 4.46Å; A196-V257 PolarHBondContact O-N 3.2Å
197P97.9Very high95.8Very high11 Ų1131.2 Ų31.27%0.07119%0.189CC..EExtended strand (participates in β ladder)trans-66.2144174-18.932.7000111.5I26 I153 I154 D156 V195 I200 I235 V257I26-P197 HydrophobicContact CD1-CB 4.15Å; I26-P197 HydrophobicContact CD1-CG 3.95Å; I153-P197 HydrophobicContact CG2-CG 3.89Å; I154-P197 WeakPolarHBondContact O-CD 3.12Å; D156-P197 PolarHBondContact N-O 3.19Å; V195-P197 WeakPolarHBondContact O-CD 3.43Å; P197-I200 HydrophobicContact CB-CG1 3.71Å; P197-I235 HydrophobicContact CB-CD1 3.72Å; P197-I235 HydrophobicContact CB-CG1 4.2Å; P197-I235 HydrophobicContact CG-CD1 4.07Å; P197-I235 HydrophobicContact CG-CG1 4.32Å; P197-I235 HydrophobicContact CG-CG2 4.16Å; P197-V257 WeakPolarHBondContact CA-O 3.44Å
198G95.6Very high95.2Very high17 Ų1731.2 Ų31.218%0.17518%0.18CC..  trans-78.2-143.9161.900000111.6I200 V257G198-I200 PolarHBondContact O-N 3.34Å; G198-I200 VanDerWaalsContact O-N 3.16Å; G198-V257 PolarHBondContact N-O 3.31Å
199T95.4Very high94.6Very high40 Ų4032.8 Ų32.825%0.24518%0.183CC..SBendtrans-79.5101177.6-48.30000111.3F217 L229 G230 Q261T199-F217 HydrophobicContact CG2-CD1 4.13Å; T199-F217 HydrophobicContact CG2-CE1 4.07Å; T199-L229 HydrophobicContact CG2-CD2 3.63Å; T199-G230 PolarHBondContact O-N 3.42Å; T199-Q261 PolarHBondContact OG1-NE2 2.81Å; T199-Q261 PolarHBondContact OG1-OE1 3.09Å
200I96.9Very high94.1Very high20 Ų2038.3 Ų38.310%0.10319%0.192CC..BIsolated β-bridgetrans-106.1120.6-177.1-53.5-53.1000111.3I26 P197 G198 F217 G230 L231 P232 I235I26-I200 HydrophobicContact CD1-CB 4.21Å; I26-I200 HydrophobicContact CD1-CG1 4.27Å; I26-I200 HydrophobicContact CD1-CG2 4.26Å; I26-I200 HydrophobicContact CG1-CG2 4.11Å; P197-I200 HydrophobicContact CB-CG1 3.71Å; G198-I200 PolarHBondContact O-N 3.34Å; G198-I200 VanDerWaalsContact O-N 3.16Å; I200-F217 WeakPolarHBondContact O-CE1 3.33Å; I200-G230 CarbonylContact C-O 3.57Å; I200-G230 WeakPolarHBondContact CA-O 3.32Å; I200-L231 VanDerWaalsContact CG2-C 3.45Å; I200-P232 HydrophobicContact CG2-CG 4.08Å; I200-I235 HydrophobicContact CD1-CD1 3.77Å; I200-I235 HydrophobicContact CD1-CG1 4.06Å; I200-I235 HydrophobicContact CG1-CD1 3.92Å; I200-I235 HydrophobicContact CG1-CG1 3.86Å; I200-I235 HydrophobicContact CG2-CG1 4.4Å
201F96.9Very high93.6Very high2 Ų246.6 Ų46.61%0.00923%0.23CC..  trans-81.8130.3179.2174.6-98.2000112.2M206 F217 L229 G230 L231 P232 A287 L288 L291F201-M206 HydrophobicContact CE2-CB 4.24Å; F201-M206 HydrophobicContact CE2-SD 4.02Å; F201-F217 HydrophobicContact CB-CD1 4.25Å; F201-F217 HydrophobicContact CB-CE1 4.27Å; F201-F217 HydrophobicContact CD2-CD1 4.04Å; F201-F217 HydrophobicContact CD2-CE1 4.37Å; F201-F217 HydrophobicContact CD2-CG 4.21Å; F201-L229 HydrophobicContact CB-CB 4.09Å; F201-L229 HydrophobicContact CB-CD1 4.01Å; F201-G230 PolarHBondContact N-O 2.84Å; F201-L231 HydrophobicContact CB-CD2 4.34Å; F201-L231 HydrophobicContact CD1-CD2 4.2Å; F201-P232 WeakPolarHBondContact O-CD 3.32Å; F201-A287 HydrophobicContact CE1-CB 3.83Å; F201-A287 HydrophobicContact CZ-CB 4.29Å; F201-L288 HydrophobicContact CB-CD1 4.33Å; F201-L288 HydrophobicContact CD1-CB 3.6Å; F201-L288 HydrophobicContact CD1-CD1 4.03Å; F201-L288 HydrophobicContact CD1-CG 4.28Å; F201-L288 HydrophobicContact CD2-CD1 4.32Å; F201-L288 VanDerWaalsContact CE1-CA 3.44Å; F201-L288 HydrophobicContact CE1-CB 3.73Å; F201-L288 HydrophobicContact CE1-CD1 4.46Å; F201-L288 VanDerWaalsContact CE1-N 3.29Å; F201-L288 HydrophobicContact CG-CB 4.36Å; F201-L288 HydrophobicContact CG-CD1 3.93Å; F201-L291 HydrophobicContact CD2-CD2 3.86Å; F201-L291 HydrophobicContact CE2-CB 4.42Å; F201-L291 HydrophobicContact CE2-CD2 3.46Å; F201-L291 VanDerWaalsContact CE2-CD2 3.46Å; F201-L291 HydrophobicContact CZ-CB 4.36Å; F201-L291 HydrophobicContact CZ-CD2 4.2Å
202S93.6Very high93Very high4 Ų450.6 Ų50.63%0.02825%0.254CS..  trans-149155.5157.863.60000108.6T204 A205 M206S202-T204 VanDerWaalsContact C-N 3.27Å; S202-T204 PolarHBondContact O-N 3.41Å; S202-A205 PolarHBondContact O-N 2.95Å; S202-A205 VanDerWaalsContact O-N 3.09Å; S202-A205 WeakPolarHBondContact OG-CB 3.21Å; S202-A205 PolarHBondContact OG-N 3.28Å; S202-A205 VanDerWaalsContact OG-N 3.15Å; S202-M206 PolarHBondContact O-N 3.11Å
203K89.9Confident92.6Very high121 Ų12150.6 Ų50.653%0.52625%0.254SS..Hα-helixtrans-52.6-47.4176.9-70.6-172.8178.8178.50111.6A205 M206 E207 A287K203-A205 PolarHBondContact O-N 3.28Å; K203-M206 WeakPolarHBondContact O-CB 3.45Å; K203-M206 PolarHBondContact O-N 3.33Å; K203-E207 WeakPolarHBondContact O-CB 3.26Å; K203-E207 VanDerWaalsContact O-CG 3.26Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 3.07Å; K203-A287 HydrophobicContact CD-CB 4.18Å; K203-A287 HydrophobicContact CG-CB 3.87Å
204T87.8Confident92.3Very high40 Ų4052.8 Ų52.825%0.24527%0.268CS..Hα-helixtrans-63.4-39.9178.8-48.30000112.9T24 S202 M206 E207 N208T24-T204 HydrophobicContact CG2-CG2 3.97Å; S202-T204 VanDerWaalsContact C-N 3.27Å; S202-T204 PolarHBondContact O-N 3.41Å; T204-M206 VanDerWaalsContact C-N 3.35Å; T204-E207 PolarHBondContact O-N 2.84Å; T204-N208 VanDerWaalsContact O-CG 3.24Å; T204-N208 PolarHBondContact O-N 3.01Å; T204-N208 PolarHBondContact O-ND2 3.07Å; T204-N208 PolarHBondContact O-OD1 3.49Å
205A88.4Confident92Very high24 Ų2456.4 Ų56.420%0.19828%0.284CS..Hα-helixtrans-65.7-40.1177.200000111.6S202 K203 N208 Y209 F217S202-A205 PolarHBondContact O-N 2.95Å; S202-A205 VanDerWaalsContact O-N 3.09Å; S202-A205 WeakPolarHBondContact OG-CB 3.21Å; S202-A205 PolarHBondContact OG-N 3.28Å; S202-A205 VanDerWaalsContact OG-N 3.15Å; K203-A205 PolarHBondContact O-N 3.28Å; A205-N208 WeakPolarHBondContact O-CB 3.49Å; A205-N208 PolarHBondContact O-N 3.19Å; A205-Y209 WeakPolarHBondContact O-CD2 3.24Å; A205-F217 HydrophobicContact CB-CZ 4.08Å
206M91.6Very high91.6Very high34 Ų3460 Ų6017%0.16730%0.303CS..Hα-helixtrans-62.6-47.8174.9-175.2-173.870.100111.9F201 S202 K203 T204 N208 Y209 P214 F217 L291F201-M206 HydrophobicContact CE2-CB 4.24Å; F201-M206 HydrophobicContact CE2-SD 4.02Å; S202-M206 PolarHBondContact O-N 3.11Å; K203-M206 WeakPolarHBondContact O-CB 3.45Å; K203-M206 PolarHBondContact O-N 3.33Å; T204-M206 VanDerWaalsContact C-N 3.35Å; M206-N208 PolarHBondContact O-N 3.38Å; M206-Y209 PolarHBondContact O-N 2.95Å; M206-P214 HydrophobicContact CG-CG 4.36Å; M206-P214 HydrophobicContact SD-CB 4.34Å; M206-P214 HydrophobicContact SD-CG 3.86Å; M206-F217 HydrophobicContact CB-CD2 4.05Å; M206-F217 HydrophobicContact CB-CE2 4Å; M206-F217 HydrophobicContact CG-CD2 4.1Å; M206-F217 HydrophobicContact CG-CE2 4.5Å; M206-L291 HydrophobicContact SD-CD1 3.88Å; M206-L291 HydrophobicContact SD-CD2 4.12Å
207E89.3Confident91.3Very high118 Ų11860.6 Ų60.655%0.55131%0.306SS*.Hα-helixtrans-60.1-27.2179.4-73.2164.3-172.500113.3K203 T204 Y209 K210K203-E207 WeakPolarHBondContact O-CB 3.26Å; K203-E207 VanDerWaalsContact O-CG 3.26Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 3.07Å; T204-E207 PolarHBondContact O-N 2.84Å; E207-Y209 PolarHBondContact O-N 2.88Å; E207-K210 PolarHBondContact O-N 2.72Å
208N86.3Confident91.1Very high115 Ų11562.3 Ų62.362%0.61531%0.312SS*.THydrogen-bonded Turntrans-61.9-22.8175.6-69.3-29.8000113T204 A205 M206T204-N208 VanDerWaalsContact O-CG 3.24Å; T204-N208 PolarHBondContact O-N 3.01Å; T204-N208 PolarHBondContact O-ND2 3.07Å; T204-N208 PolarHBondContact O-OD1 3.49Å; A205-N208 WeakPolarHBondContact O-CB 3.49Å; A205-N208 PolarHBondContact O-N 3.19Å; M206-N208 PolarHBondContact O-N 3.38Å
209Y85.4Confident91Very high53 Ų5366.6 Ų66.621%0.20833%0.329CS..THydrogen-bonded Turntrans-98.18.4176.4-65.1-84.1000113.2Q107 A205 M206 E207 L212 G213 L216 F217Q107-Y209 PolarHBondContact NE2-OH 3.04Å; Q107-Y209 VanDerWaalsContact NE2-OH 3.09Å; A205-Y209 WeakPolarHBondContact O-CD2 3.24Å; M206-Y209 PolarHBondContact O-N 2.95Å; E207-Y209 PolarHBondContact O-N 2.88Å; Y209-L212 PolarHBondContact O-N 3.31Å; Y209-G213 PolarHBondContact O-N 3.41Å; Y209-L216 HydrophobicContact CD1-CD1 3.66Å; Y209-L216 HydrophobicContact CE1-CD1 4.36Å; Y209-L216 HydrophobicContact CG-CD1 3.89Å; Y209-F217 HydrophobicContact CD2-CE2 4.4Å
210K88.9Confident90.9Very high170 Ų17065.3 Ų65.374%0.73932%0.322SS*.G310 helixtrans52.7-140178.9-53-180179.6-179.10111.1E207 L212 G213E207-K210 PolarHBondContact O-N 2.72Å; K210-L212 PolarHBondContact O-N 2.67Å; K210-L212 VanDerWaalsContact O-N 3.11Å; K210-G213 PolarHBondContact O-N 3.38Å
211E88.5Confident90.8Very high178 Ų17865.7 Ų65.783%0.83232%0.324SS*.G310 helixtrans-56.1-26.5-179.8-53.5-52.9146.500114G213E211-G213 VanDerWaalsContact C-N 3.33Å
212L87.5Confident90.5Very high115 Ų11568.4 Ų68.460%0.60234%0.341SS*.G310 helixtrans-78.5-18.6178.1-64.1177000112.8Y209 K210 H215 L216Y209-L212 PolarHBondContact O-N 3.31Å; K210-L212 PolarHBondContact O-N 2.67Å; K210-L212 VanDerWaalsContact O-N 3.11Å; L212-H215 PolarHBondContact O-N 3.42Å; L212-L216 HydrophobicContact CB-CD1 4.08Å; L212-L216 HydrophobicContact CB-CG 4.33Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 3.07Å
213G90Very high90.4Very high0 Ų073.2 Ų73.20%037%0.366CS..Hα-helixtrans-52.4-57.2-174.600000113.8Y209 K210 E211 H215 L216 F217Y209-G213 PolarHBondContact O-N 3.41Å; K210-G213 PolarHBondContact O-N 3.38Å; E211-G213 VanDerWaalsContact C-N 3.33Å; G213-H215 PolarHBondContact O-N 3.16Å; G213-L216 PolarHBondContact O-N 3.41Å; G213-F217 WeakPolarHBondContact O-CD2 3.38Å; G213-F217 PolarHBondContact O-N 2.95Å
214P92.8Very high90.6Very high46 Ų4667.9 Ų67.930%0.29934%0.344SS..Hα-helixtrans-53.2-41.9179.1-2936000113.5M206 K218 L291M206-P214 HydrophobicContact CG-CG 4.36Å; M206-P214 HydrophobicContact SD-CB 4.34Å; M206-P214 HydrophobicContact SD-CG 3.86Å; P214-K218 WeakPolarHBondContact O-CG 3.42Å; P214-K218 PolarHBondContact O-N 3.47Å; P214-L291 HydrophobicContact CB-CD1 3.66Å; P214-L291 HydrophobicContact CG-CD1 4.42Å
215H91.3Very high90.9Very high75 Ų7566.8 Ų66.835%0.34734%0.338SS..Hα-helixtrans-68.8-47.4179.4178.975.4000111.8L212 G213 F217 K218 M219 L298L212-H215 PolarHBondContact O-N 3.42Å; G213-H215 PolarHBondContact O-N 3.16Å; H215-F217 VanDerWaalsContact C-N 3.33Å; H215-F217 PolarHBondContact O-N 3.18Å; H215-K218 PolarHBondContact O-N 2.9Å; H215-K218 VanDerWaalsContact O-N 3.16Å; H215-M219 VanDerWaalsContact CE1-CG 3.41Å; H215-M219 WeakPolarHBondContact CE1-CG 3.3Å; H215-M219 WeakPolarHBondContact NE2-CG 3.03Å; H215-M219 WeakPolarHBondContact O-CB 3.39Å; H215-M219 WeakPolarHBondContact O-CG 3.43Å; H215-M219 PolarHBondContact O-N 2.96Å; H215-L298 WeakPolarHBondContact ND1-CD1 3.49Å
216L90.4Very high91.4Very high75 Ų7565.9 Ų65.939%0.39333%0.33SS..Hα-helixtrans-59.6-41.7179.8-69.7173.7000112.5Y209 L212 G213 S220Y209-L216 HydrophobicContact CD1-CD1 3.66Å; Y209-L216 HydrophobicContact CE1-CD1 4.36Å; Y209-L216 HydrophobicContact CG-CD1 3.89Å; L212-L216 HydrophobicContact CB-CD1 4.08Å; L212-L216 HydrophobicContact CB-CG 4.33Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 3.07Å; G213-L216 PolarHBondContact O-N 3.41Å; L216-S220 PolarHBondContact O-N 3.17Å; L216-S220 PolarHBondContact O-OG 3.32Å; L216-S220 VanDerWaalsContact O-OG 3.08Å
217F93.4Very high91.6Very high14 Ų1465.3 Ų65.36%0.06133%0.326CS..Hα-helixtrans-68.8-36.6176.6-84.3-81.5000112.4T199 I200 F201 A205 M206 Y209 G213 H215 S220 L229 L291T199-F217 HydrophobicContact CG2-CD1 4.13Å; T199-F217 HydrophobicContact CG2-CE1 4.07Å; I200-F217 WeakPolarHBondContact O-CE1 3.33Å; F201-F217 HydrophobicContact CB-CD1 4.25Å; F201-F217 HydrophobicContact CB-CE1 4.27Å; F201-F217 HydrophobicContact CD2-CD1 4.04Å; F201-F217 HydrophobicContact CD2-CE1 4.37Å; F201-F217 HydrophobicContact CD2-CG 4.21Å; A205-F217 HydrophobicContact CB-CZ 4.08Å; M206-F217 HydrophobicContact CB-CD2 4.05Å; M206-F217 HydrophobicContact CB-CE2 4Å; M206-F217 HydrophobicContact CG-CD2 4.1Å; M206-F217 HydrophobicContact CG-CE2 4.5Å; Y209-F217 HydrophobicContact CD2-CE2 4.4Å; G213-F217 WeakPolarHBondContact O-CD2 3.38Å; G213-F217 PolarHBondContact O-N 2.95Å; H215-F217 VanDerWaalsContact C-N 3.33Å; H215-F217 PolarHBondContact O-N 3.18Å; F217-S220 PolarHBondContact O-OG 2.94Å; F217-L229 HydrophobicContact CB-CD1 3.99Å; F217-L229 HydrophobicContact CD1-CD1 3.86Å; F217-L229 HydrophobicContact CD1-CD2 4.31Å; F217-L229 HydrophobicContact CG-CD1 4.41Å; F217-L291 HydrophobicContact CB-CD2 4.09Å
218K94.2Very high91.9Very high48 Ų4862 Ų6221%0.20931%0.309CS..Hα-helixtrans-67.9-43.7174.4-74172.8-179.2172.20112.3P214 H215 S220 I221 L291 L292 T294P214-K218 WeakPolarHBondContact O-CG 3.42Å; P214-K218 PolarHBondContact O-N 3.47Å; H215-K218 PolarHBondContact O-N 2.9Å; H215-K218 VanDerWaalsContact O-N 3.16Å; K218-S220 PolarHBondContact O-N 2.58Å; K218-I221 WeakPolarHBondContact O-CB 3.44Å; K218-I221 PolarHBondContact O-N 3.3Å; K218-L291 WeakPolarHBondContact CE-O 3.48Å; K218-L291 PolarHBondContact NZ-O 3.17Å; K218-L292 HydrophobicContact CG-CD2 4.46Å; K218-T294 PolarHBondContact NZ-O 2.99Å
219M92.8Very high92.4Very high106 Ų10656.6 Ų56.652%0.52228%0.28SS..Hα-helixtrans-66.6-18.3-179.1-72.7-56.4-56.300114H215H215-M219 VanDerWaalsContact CE1-CG 3.41Å; H215-M219 WeakPolarHBondContact CE1-CG 3.3Å; H215-M219 WeakPolarHBondContact NE2-CG 3.03Å; H215-M219 WeakPolarHBondContact O-CB 3.39Å; H215-M219 WeakPolarHBondContact O-CG 3.43Å; H215-M219 PolarHBondContact O-N 2.96Å
220S92.6Very high93Very high14 Ų1454.7 Ų54.710%0.09828%0.276CS..THydrogen-bonded Turntrans-85.7-14.4177.448.10000113.8L216 F217 K218 L223 S224 L229L216-S220 PolarHBondContact O-N 3.17Å; L216-S220 PolarHBondContact O-OG 3.32Å; L216-S220 VanDerWaalsContact O-OG 3.08Å; F217-S220 PolarHBondContact O-OG 2.94Å; K218-S220 PolarHBondContact O-N 2.58Å; S220-L223 WeakPolarHBondContact O-CB 3.29Å; S220-L223 PolarHBondContact O-N 2.84Å; S220-S224 PolarHBondContact O-N 3.17Å; S220-L229 WeakPolarHBondContact OG-CD2 3.31Å
221I94.8Very high93.4Very high28 Ų2846.6 Ų46.614%0.14424%0.241CC..SBendtrans-60.4-49.7179.5-70.3166.2000112.3K218 L223 S224 K227 L229 L292K218-I221 WeakPolarHBondContact O-CB 3.44Å; K218-I221 PolarHBondContact O-N 3.3Å; I221-L223 PolarHBondContact O-N 3.14Å; I221-S224 WeakPolarHBondContact O-CB 3.48Å; I221-S224 PolarHBondContact O-N 3.17Å; I221-K227 WeakPolarHBondContact CG2-O 3.37Å; I221-L229 HydrophobicContact CD1-CD1 4.36Å; I221-L229 HydrophobicContact CD1-CG 4.32Å; I221-L229 HydrophobicContact CG1-CD1 4.25Å; I221-L229 HydrophobicContact CG1-CD2 4.02Å; I221-L229 HydrophobicContact CG1-CG 3.76Å; I221-L292 HydrophobicContact CD1-CD2 3.63Å
222P92.2Very high93.8Very high59 Ų5938.1 Ų38.138%0.38320%0.201SC..THydrogen-bonded Turntrans-64.8-22.6179.3-21.734.8000113.2S224 K227P222-S224 VanDerWaalsContact C-N 3.31Å; P222-K227 PolarHBondContact O-NZ 2.97Å
223L90.2Very high94.3Very high105 Ų10534 Ų3455%0.5518%0.179SC..THydrogen-bonded Turntrans-84.6-3178.9-52.2-179.9000113.1S220 I221 Y264S220-L223 WeakPolarHBondContact O-CB 3.29Å; S220-L223 PolarHBondContact O-N 2.84Å; I221-L223 PolarHBondContact O-N 3.14Å; L223-Y264 VanDerWaalsContact O-CD1 3.31Å; L223-Y264 WeakPolarHBondContact O-CD1 3.49Å
224S93.9Very high94.7Very high8 Ų836.3 Ų36.36%0.05619%0.19CC..SBendtrans-96.4127.3174.2177.70000109.2S220 I221 P222 A226 K227 R228S220-S224 PolarHBondContact O-N 3.17Å; I221-S224 WeakPolarHBondContact O-CB 3.48Å; I221-S224 PolarHBondContact O-N 3.17Å; P222-S224 VanDerWaalsContact C-N 3.31Å; S224-A226 PolarHBondContact O-N 2.98Å; S224-A226 VanDerWaalsContact O-N 3.17Å; S224-A226 PolarHBondContact OG-N 3.15Å; S224-K227 WeakPolarHBondContact O-CD 3.38Å; S224-K227 PolarHBondContact O-N 3.44Å; S224-R228 PolarHBondContact OG-O 3.01Å; S224-R228 VanDerWaalsContact OG-O 3.05Å
225P95.6Very high94.9Very high18 Ų1834.1 Ų34.112%0.11718%0.176CC..THydrogen-bonded Turntrans-54.7-30.3170-29.237.7000113.3K227 A259 Y264 I270 H273P225-K227 PolarHBondContact O-N 3.4Å; P225-A259 WeakPolarHBondContact CB-O 3.37Å; P225-Y264 HydrophobicContact CG-CD1 4.5Å; P225-Y264 HydrophobicContact CG-CD2 4.31Å; P225-Y264 HydrophobicContact CG-CG 4Å; P225-I270 HydrophobicContact CB-CD1 3.55Å; P225-I270 HydrophobicContact CG-CD1 4Å; P225-H273 PolarHBondContact O-CE1 3.46Å; P225-H273 PolarHBondContact O-NE2 3.02Å
226A97.1Very high95.3Very high4 Ų430.8 Ų30.83%0.03316%0.161CC..THydrogen-bonded Turntrans-75.7-9.7176.900000114.2S224 R228 A259 W276S224-A226 PolarHBondContact O-N 2.98Å; S224-A226 VanDerWaalsContact O-N 3.17Å; S224-A226 PolarHBondContact OG-N 3.15Å; A226-R228 HydrophobicContact CB-CG 4.12Å; A226-R228 PolarHBondContact O-N 2.84Å; A226-R228 VanDerWaalsContact O-N 3.07Å; A226-A259 HydrophobicContact CB-CB 3.61Å; A226-W276 HydrophobicContact CB-CB 4.1Å; A226-W276 HydrophobicContact CB-CD2 3.53Å; A226-W276 HydrophobicContact CB-CE3 4.11Å; A226-W276 HydrophobicContact CB-CG 3.5Å; A226-W276 VanDerWaalsContact CB-CG 3.5Å
227K96.1Very high95.7Very high22 Ų2228.8 Ų28.810%0.09615%0.153CC..SBendtrans54.326.7-174.9-54.5-62.2-179165.90113.6I221 P222 S224 P225 I270 P271 E272 H273I221-K227 WeakPolarHBondContact CG2-O 3.37Å; P222-K227 PolarHBondContact O-NZ 2.97Å; S224-K227 WeakPolarHBondContact O-CD 3.38Å; S224-K227 PolarHBondContact O-N 3.44Å; P225-K227 PolarHBondContact O-N 3.4Å; K227-I270 WeakPolarHBondContact CE-O 3.49Å; K227-I270 PolarHBondContact NZ-O 3.42Å; K227-P271 WeakPolarHBondContact CE-O 3.37Å; K227-E272 WeakPolarHBondContact CD-OE1 3.28Å; K227-E272 IonicContact NZ-OE1 2.73Å; K227-E272 PolarHBondContact NZ-OE1 3.49Å; K227-H273 WeakPolarHBondContact CB-O 3.34Å
228R96.3Very high95.9Very high48 Ų4828.8 Ų28.818%0.18116%0.156CC..SBendtrans-148.6164.2170.967.2167.8-179.379.6-4.2110.9S224 A226 E234 P277S224-R228 PolarHBondContact OG-O 3.01Å; S224-R228 VanDerWaalsContact OG-O 3.05Å; A226-R228 HydrophobicContact CB-CG 4.12Å; A226-R228 PolarHBondContact O-N 2.84Å; A226-R228 VanDerWaalsContact O-N 3.07Å; R228-E234 IonicContact CZ-OE1 2.66Å; R228-E234 IonicContact CZ-OE2 3.46Å; R228-E234 IonicContact NH1-OE1 2.73Å; R228-E234 PolarHBondContact NH1-OE1 3.04Å; R228-E234 IonicContact NH1-OE2 3.99Å; R228-E234 PolarHBondContact NH1-OE2 2.67Å; R228-E234 IonicContact NH2-OE1 2.66Å; R228-E234 PolarHBondContact NH2-OE1 2.91Å; R228-E234 IonicContact NH2-OE2 3.5Å; R228-P277 PolarHBondContact NE-O 2.88Å; R228-P277 VanDerWaalsContact NE-O 3.16Å; R228-P277 PolarHBondContact NH2-O 3.37Å
229L96.9Very high96.1Very high3 Ų326.5 Ų26.52%0.01615%0.146CC..  trans-78.8149.5167.7-58.6171.5000109.6T199 F201 F217 S220 I221 L288T199-L229 HydrophobicContact CG2-CD2 3.63Å; F201-L229 HydrophobicContact CB-CB 4.09Å; F201-L229 HydrophobicContact CB-CD1 4.01Å; F217-L229 HydrophobicContact CB-CD1 3.99Å; F217-L229 HydrophobicContact CD1-CD1 3.86Å; F217-L229 HydrophobicContact CD1-CD2 4.31Å; F217-L229 HydrophobicContact CG-CD1 4.41Å; S220-L229 WeakPolarHBondContact OG-CD2 3.31Å; I221-L229 HydrophobicContact CD1-CD1 4.36Å; I221-L229 HydrophobicContact CD1-CG 4.32Å; I221-L229 HydrophobicContact CG1-CD1 4.25Å; I221-L229 HydrophobicContact CG1-CD2 4.02Å; I221-L229 HydrophobicContact CG1-CG 3.76Å; L229-L288 HydrophobicContact CB-CD2 4.4Å; L229-L288 HydrophobicContact CD1-CD1 3.78Å
230G97.5Very high96.4Very high12 Ų1221.4 Ų21.412%0.12412%0.121CC..BIsolated β-bridgetrans-80.1162.9168.300000111.5T199 I200 F201 E234T199-G230 PolarHBondContact O-N 3.42Å; I200-G230 CarbonylContact C-O 3.57Å; I200-G230 WeakPolarHBondContact CA-O 3.32Å; F201-G230 PolarHBondContact N-O 2.84Å; G230-E234 WeakPolarHBondContact CA-OE2 3.17Å
231L97.5Very high96.7Very high0 Ų024.5 Ų24.50%013%0.132CC..  trans-115.2155.6175.3-63-174.4000112.4I200 F201 E233 E234 A279 N284 L285 L288I200-L231 VanDerWaalsContact CG2-C 3.45Å; F201-L231 HydrophobicContact CB-CD2 4.34Å; F201-L231 HydrophobicContact CD1-CD2 4.2Å; L231-E233 WeakPolarHBondContact CB-OE2 3.34Å; L231-E233 PolarHBondContact O-N 3.06Å; L231-E234 PolarHBondContact N-OE2 2.87Å; L231-E234 WeakPolarHBondContact O-CB 3.22Å; L231-E234 PolarHBondContact O-N 3.27Å; L231-A279 HydrophobicContact CD1-CB 3.72Å; L231-A279 HydrophobicContact CG-CB 4.14Å; L231-N284 HydrophobicContact CD1-CB 4.48Å; L231-N284 HydrophobicContact CD2-CB 4.26Å; L231-L285 HydrophobicContact CD1-CB 3.68Å; L231-L285 HydrophobicContact CD1-CD1 4.2Å; L231-L285 HydrophobicContact CD1-CG 4.48Å; L231-L288 HydrophobicContact CD2-CB 4.44Å; L231-L288 HydrophobicContact CD2-CD2 3.97Å
232P97.7Very high96.9Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-53.1-35.1179.3-32.340.4000114A29 I200 F201 E234 I235 S236A29-P232 HydrophobicContact CB-CB 3.5Å; A29-P232 VanDerWaalsContact CB-CB 3.5Å; I200-P232 HydrophobicContact CG2-CG 4.08Å; F201-P232 WeakPolarHBondContact O-CD 3.32Å; P232-E234 VanDerWaalsContact C-N 3.27Å; P232-E234 PolarHBondContact O-N 3.25Å; P232-I235 WeakPolarHBondContact O-CB 3.49Å; P232-I235 PolarHBondContact O-N 3.38Å; P232-S236 PolarHBondContact O-N 3.33Å
233E97.2Very high97.2Very high29 Ų2920.7 Ų20.714%0.13611%0.109CC..Hα-helixtrans-63.7-31.2178.9-64.877-170.400112.3A3 L231 I235 S236 S237 P280 N284A3-E233 HydrophobicContact CB-CB 4.34Å; A3-E233 HydrophobicContact CB-CG 3.84Å; L231-E233 WeakPolarHBondContact CB-OE2 3.34Å; L231-E233 PolarHBondContact O-N 3.06Å; E233-I235 VanDerWaalsContact C-N 3.26Å; E233-I235 PolarHBondContact O-N 3.01Å; E233-S236 WeakPolarHBondContact CA-OG 3.44Å; E233-S236 PolarHBondContact O-N 3.48Å; E233-S236 PolarHBondContact O-OG 3.12Å; E233-S237 PolarHBondContact O-N 2.86Å; E233-S237 PolarHBondContact O-OG 3.17Å; E233-P280 HydrophobicContact CB-CB 3.93Å; E233-P280 HydrophobicContact CB-CG 3.94Å; E233-N284 PolarHBondContact OE1-ND2 2.81Å; E233-N284 PolarHBondContact OE2-ND2 2.8Å
234E97.7Very high97.6Very high49 Ų4916 Ų1623%0.2299%0.085CC..Hα-helixtrans-71.1-25.9175.1-59.7-179.8102.700111.5R228 G230 L231 P232 P280R228-E234 IonicContact CZ-OE1 2.66Å; R228-E234 IonicContact CZ-OE2 3.46Å; R228-E234 IonicContact NH1-OE1 2.73Å; R228-E234 PolarHBondContact NH1-OE1 3.04Å; R228-E234 IonicContact NH1-OE2 3.99Å; R228-E234 PolarHBondContact NH1-OE2 2.67Å; R228-E234 IonicContact NH2-OE1 2.66Å; R228-E234 PolarHBondContact NH2-OE1 2.91Å; R228-E234 IonicContact NH2-OE2 3.5Å; G230-E234 WeakPolarHBondContact CA-OE2 3.17Å; L231-E234 PolarHBondContact N-OE2 2.87Å; L231-E234 WeakPolarHBondContact O-CB 3.22Å; L231-E234 PolarHBondContact O-N 3.27Å; P232-E234 VanDerWaalsContact C-N 3.27Å; P232-E234 PolarHBondContact O-N 3.25Å; E234-P280 HydrophobicContact CG-CG 3.79Å
235I98.5Very high97.8Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-81.3-42.3174.2-52.5-53000111I26 V195 P197 I200 P232 E233 S237 A238 V239 V257I26-I235 HydrophobicContact CD1-CG1 4.2Å; I26-I235 HydrophobicContact CG1-CG1 4.25Å; I26-I235 HydrophobicContact CG2-CB 4.12Å; I26-I235 HydrophobicContact CG2-CG2 3.62Å; V195-I235 HydrophobicContact CG1-CG2 4.06Å; P197-I235 HydrophobicContact CB-CD1 3.72Å; P197-I235 HydrophobicContact CB-CG1 4.2Å; P197-I235 HydrophobicContact CG-CD1 4.07Å; P197-I235 HydrophobicContact CG-CG1 4.32Å; P197-I235 HydrophobicContact CG-CG2 4.16Å; I200-I235 HydrophobicContact CD1-CD1 3.77Å; I200-I235 HydrophobicContact CD1-CG1 4.06Å; I200-I235 HydrophobicContact CG1-CD1 3.92Å; I200-I235 HydrophobicContact CG1-CG1 3.86Å; I200-I235 HydrophobicContact CG2-CG1 4.4Å; P232-I235 WeakPolarHBondContact O-CB 3.49Å; P232-I235 PolarHBondContact O-N 3.38Å; E233-I235 VanDerWaalsContact C-N 3.26Å; E233-I235 PolarHBondContact O-N 3.01Å; I235-S237 VanDerWaalsContact C-N 3.29Å; I235-S237 PolarHBondContact O-N 2.83Å; I235-A238 PolarHBondContact O-N 3.2Å; I235-V239 HydrophobicContact CG2-CG2 4.34Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 3.16Å; I235-V257 HydrophobicContact CD1-CB 3.64Å; I235-V257 HydrophobicContact CD1-CG1 3.54Å
236S98.6Very high97.9Very high4 Ų421.7 Ų21.73%0.02813%0.132CC..Hα-helixtrans-61.8-38.4-177.664.80000111.9E33 P232 E233 A238 V239 C240E33-S236 WeakPolarHBondContact OE2-CB 3.37Å; E33-S236 PolarHBondContact OE2-OG 3.18Å; P232-S236 PolarHBondContact O-N 3.33Å; E233-S236 WeakPolarHBondContact CA-OG 3.44Å; E233-S236 PolarHBondContact O-N 3.48Å; E233-S236 PolarHBondContact O-OG 3.12Å; S236-A238 PolarHBondContact O-N 3Å; S236-V239 PolarHBondContact O-N 3.2Å; S236-C240 WeakPolarHBondContact O-CB 3.4Å; S236-C240 PolarHBondContact O-N 2.88Å; S236-C240 PolarHBondContact O-SG 3.2Å
237S98.1Very high98Very high33 Ų3321.5 Ų21.523%0.23113%0.131CC..Hα-helixtrans-66.7-37.4178.5-640000112.5F7 E33 E233 I235 C240 F241F7-S237 WeakPolarHBondContact CE2-O 3.47Å; F7-S237 VanDerWaalsContact CZ-O 3.29Å; F7-S237 WeakPolarHBondContact CZ-O 3.03Å; E33-S237 PolarHBondContact OE1-OG 2.86Å; E33-S237 VanDerWaalsContact OE1-OG 3.13Å; E33-S237 WeakPolarHBondContact OE2-CA 3.18Å; E33-S237 PolarHBondContact OE2-N 2.82Å; E33-S237 PolarHBondContact OE2-OG 3.3Å; E233-S237 PolarHBondContact O-N 2.86Å; E233-S237 PolarHBondContact O-OG 3.17Å; I235-S237 VanDerWaalsContact C-N 3.29Å; I235-S237 PolarHBondContact O-N 2.83Å; S237-C240 PolarHBondContact O-N 3.19Å; S237-F241 PolarHBondContact O-N 3.06Å
238A98.6Very high98.1Very high14 Ų1424.6 Ų24.612%0.11616%0.155CC..Hα-helixtrans-64-40.9173.800000112.1I235 S236 F241 L242 L255 V257I235-A238 PolarHBondContact O-N 3.2Å; S236-A238 PolarHBondContact O-N 3Å; A238-F241 PolarHBondContact O-N 2.68Å; A238-L242 WeakPolarHBondContact O-CG 3.48Å; A238-L242 PolarHBondContact O-N 2.94Å; A238-L242 VanDerWaalsContact O-N 3.13Å; A238-L255 HydrophobicContact CB-CD2 3.9Å; A238-V257 HydrophobicContact CB-CG2 3.7Å
239V98.9Very high98.3Very high0 Ų033.5 Ų33.50%019%0.19CC..Hα-helixtrans-64.6-47.3175.7173.30000110.8I30 V101 I151 I153 V195 I235 S236 F241 L242 L243I30-V239 HydrophobicContact CD1-CB 4.4Å; I30-V239 HydrophobicContact CD1-CG1 4.37Å; I30-V239 HydrophobicContact CD1-CG2 3.85Å; I30-V239 HydrophobicContact CG1-CB 4.21Å; I30-V239 HydrophobicContact CG1-CG1 4.31Å; I30-V239 HydrophobicContact CG1-CG2 4.11Å; I30-V239 HydrophobicContact CG2-CG1 3.89Å; V101-V239 HydrophobicContact CG1-CG1 4.45Å; V101-V239 HydrophobicContact CG2-CG1 4.09Å; I151-V239 HydrophobicContact CB-CG1 4.42Å; I151-V239 HydrophobicContact CG1-CG1 4.44Å; I151-V239 HydrophobicContact CG2-CG1 4.22Å; I151-V239 HydrophobicContact CG2-CG2 4.18Å; I153-V239 HydrophobicContact CD1-CG2 3.65Å; V195-V239 HydrophobicContact CB-CG2 4.41Å; V195-V239 HydrophobicContact CG2-CG2 3.96Å; I235-V239 HydrophobicContact CG2-CG2 4.34Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 3.16Å; S236-V239 PolarHBondContact O-N 3.2Å; V239-F241 VanDerWaalsContact C-N 3.34Å; V239-F241 PolarHBondContact O-N 3.32Å; V239-L242 PolarHBondContact O-N 3.28Å; V239-L243 HydrophobicContact CG1-CD1 3.88Å; V239-L243 HydrophobicContact CG1-CG 4.33Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 2.9Å
240C98.8Very high98.3Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-59.7-43177.6-70.30000111.5F7 F12 L37 S236 S237 L242 L243 S244F7-C240 HydrophobicContact CD2-CB 4.03Å; F7-C240 HydrophobicContact CE2-CB 3.69Å; F7-C240 HydrophobicContact CZ-CB 4.36Å; F12-C240 HydrophobicContact CE2-CB 4.15Å; F12-C240 HydrophobicContact CZ-CB 4.44Å; F12-C240 WeakPolarHBondContact CZ-O 3.47Å; L37-C240 HydrophobicContact CD1-CB 4.34Å; S236-C240 WeakPolarHBondContact O-CB 3.4Å; S236-C240 PolarHBondContact O-N 2.88Å; S236-C240 PolarHBondContact O-SG 3.2Å; S237-C240 PolarHBondContact O-N 3.19Å; C240-L242 PolarHBondContact O-N 3.09Å; C240-L243 PolarHBondContact O-N 3.15Å; C240-S244 WeakPolarHBondContact O-CB 3.35Å; C240-S244 PolarHBondContact O-N 3.02Å
241F98.9Very high98.4Very high78 Ų7837.9 Ų37.934%0.34222%0.215SC..Hα-helixtrans-56.3-50.4173.5172-106.6000111.8F7 S237 A238 V239 L243 S244 A247 I250F7-F241 HydrophobicContact CE1-CB 4.2Å; F7-F241 HydrophobicContact CZ-CB 3.87Å; S237-F241 PolarHBondContact O-N 3.06Å; A238-F241 PolarHBondContact O-N 2.68Å; V239-F241 VanDerWaalsContact C-N 3.34Å; V239-F241 PolarHBondContact O-N 3.32Å; F241-L243 VanDerWaalsContact C-N 3.29Å; F241-L243 PolarHBondContact O-N 3.37Å; F241-S244 WeakPolarHBondContact O-CB 3.48Å; F241-S244 PolarHBondContact O-N 2.8Å; F241-S244 PolarHBondContact O-OG 3.29Å; F241-A247 HydrophobicContact CE1-CB 4.34Å; F241-A247 HydrophobicContact CZ-CB 4.44Å; F241-A247 WeakPolarHBondContact O-CB 3.36Å; F241-I250 HydrophobicContact CE1-CD1 3.92Å; F241-I250 HydrophobicContact CZ-CD1 4.16Å
242L98.9Very high98.5Very high6 Ų638.9 Ų38.93%0.03122%0.224CC..Hα-helixtrans-67.5-27.5-178.2-69.1175.5000113.5I151 R191 N193 V195 A238 V239 C240 A247 I250 L255I151-L242 HydrophobicContact CD1-CB 3.48Å; I151-L242 VanDerWaalsContact CD1-CB 3.48Å; I151-L242 HydrophobicContact CD1-CD1 4.21Å; I151-L242 HydrophobicContact CD1-CG 4.49Å; I151-L242 HydrophobicContact CG1-CB 4.41Å; R191-L242 VanDerWaalsContact CZ-O 3.3Å; R191-L242 PolarHBondContact NH1-O 3.05Å; R191-L242 PolarHBondContact NH2-O 2.95Å; N193-L242 HydrophobicContact CB-CD1 4.28Å; V195-L242 HydrophobicContact CG2-CD1 3.61Å; A238-L242 WeakPolarHBondContact O-CG 3.48Å; A238-L242 PolarHBondContact O-N 2.94Å; A238-L242 VanDerWaalsContact O-N 3.13Å; V239-L242 PolarHBondContact O-N 3.28Å; C240-L242 PolarHBondContact O-N 3.09Å; L242-A247 HydrophobicContact CD2-CB 4.36Å; L242-I250 HydrophobicContact CD2-CD1 4.5Å; L242-I250 HydrophobicContact CD2-CG2 4.14Å; L242-L255 HydrophobicContact CD1-CB 4.12Å; L242-L255 HydrophobicContact CD1-CD2 4.26Å
243L98.9Very high98.5Very high2 Ų240.8 Ų40.81%0.0124%0.241CC..Hα-helixtrans-74.1-28.8171.4-69.4174.4000112.6F12 L34 Y99 V101 V149 I151 R191 V239 C240 F241F12-L243 HydrophobicContact CE1-CB 4.09Å; F12-L243 HydrophobicContact CZ-CB 4.02Å; L34-L243 HydrophobicContact CD1-CD1 4.22Å; L34-L243 HydrophobicContact CD2-CD1 3.83Å; Y99-L243 HydrophobicContact CD1-CB 4.42Å; Y99-L243 HydrophobicContact CD1-CD2 3.77Å; Y99-L243 HydrophobicContact CE1-CB 4.49Å; Y99-L243 HydrophobicContact CG-CD2 3.95Å; V101-L243 HydrophobicContact CG2-CD1 4.08Å; V149-L243 HydrophobicContact CB-CD2 3.88Å; V149-L243 HydrophobicContact CG1-CD2 3.82Å; I151-L243 HydrophobicContact CD1-CD2 4.42Å; I151-L243 HydrophobicContact CG1-CD2 3.55Å; I151-L243 HydrophobicContact CG1-CG 3.86Å; R191-L243 PolarHBondContact NH2-O 3.42Å; V239-L243 HydrophobicContact CG1-CD1 3.88Å; V239-L243 HydrophobicContact CG1-CG 4.33Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 2.9Å; C240-L243 PolarHBondContact O-N 3.15Å; F241-L243 VanDerWaalsContact C-N 3.29Å; F241-L243 PolarHBondContact O-N 3.37Å
244S98.6Very high98.6Very high7 Ų740.9 Ų40.95%0.04924%0.243CC..SBendtrans-70.6162.9-173.282.60000114.2R191 C240 F241 G246 A247R191-S244 PolarHBondContact NH2-O 3.27Å; C240-S244 WeakPolarHBondContact O-CB 3.35Å; C240-S244 PolarHBondContact O-N 3.02Å; F241-S244 WeakPolarHBondContact O-CB 3.48Å; F241-S244 PolarHBondContact O-N 2.8Å; F241-S244 PolarHBondContact O-OG 3.29Å; S244-G246 PolarHBondContact O-N 3.35Å; S244-G246 PolarHBondContact OG-N 3.16Å; S244-G246 VanDerWaalsContact OG-N 3.12Å; S244-A247 PolarHBondContact O-N 3.07Å; S244-A247 VanDerWaalsContact O-N 3.13Å
245P98.1Very high98.6Very high89 Ų8941.8 Ų41.858%0.57825%0.249SC*.G310 helixtrans-59.3-20.9168.8-24.235.2000114.2A247 S248P245-A247 PolarHBondContact O-N 2.98Å; P245-S248 WeakPolarHBondContact O-CB 3.19Å; P245-S248 PolarHBondContact O-N 3.35Å; P245-S248 PolarHBondContact O-OG 3.28Å
246G98.3Very high98.6Very high56 Ų5646.3 Ų46.358%0.57727%0.266SS*.G310 helixtrans-63.3-22.4175.200000113.3S244S244-G246 PolarHBondContact O-N 3.35Å; S244-G246 PolarHBondContact OG-N 3.16Å; S244-G246 VanDerWaalsContact OG-N 3.12Å
247A98.6Very high98.6Very high0 Ų047.7 Ų47.70%027%0.274CS..G310 helixtrans-100.421.7174.800000113R191 F241 L242 S244 P245 Y249 I250R191-A247 WeakPolarHBondContact CD-O 3.5Å; R191-A247 VanDerWaalsContact CZ-O 3.24Å; R191-A247 PolarHBondContact NE-O 3.41Å; R191-A247 PolarHBondContact NH1-O 3.44Å; F241-A247 HydrophobicContact CE1-CB 4.34Å; F241-A247 HydrophobicContact CZ-CB 4.44Å; F241-A247 WeakPolarHBondContact O-CB 3.36Å; L242-A247 HydrophobicContact CD2-CB 4.36Å; S244-A247 PolarHBondContact O-N 3.07Å; S244-A247 VanDerWaalsContact O-N 3.13Å; P245-A247 PolarHBondContact O-N 2.98Å; A247-Y249 PolarHBondContact O-N 3.38Å; A247-I250 HydrophobicContact CB-CB 4.29Å; A247-I250 HydrophobicContact CB-CD1 4.04Å; A247-I250 HydrophobicContact CB-CG1 4.38Å; A247-I250 PolarHBondContact O-N 2.73Å
248S98.6Very high98.6Very high87 Ų8747 Ų4761%0.60827%0.268SS*.THydrogen-bonded Turntrans-56.7-24.5-175.350.20000114.6R191 P245R191-S248 WeakPolarHBondContact CD-O 3.39Å; P245-S248 WeakPolarHBondContact O-CB 3.19Å; P245-S248 PolarHBondContact O-N 3.35Å; P245-S248 PolarHBondContact O-OG 3.28Å
249Y98.6Very high98.5Very high234 Ų23447.9 Ų47.992%0.91828%0.275SS*.THydrogen-bonded Turntrans-106.417.6177.2-149.8-117.6000114A247A247-Y249 PolarHBondContact O-N 3.38Å
250I98.9Very high98.3Very high55 Ų5549.1 Ų49.128%0.28229%0.288SS..  trans-114.7113179.8-52.1177.8000109.4R191 N193 F241 L242 A247 A253R191-I250 PolarHBondContact NH1-O 3.04Å; N193-I250 PolarHBondContact ND2-O 3.49Å; F241-I250 HydrophobicContact CE1-CD1 3.92Å; F241-I250 HydrophobicContact CZ-CD1 4.16Å; L242-I250 HydrophobicContact CD2-CD1 4.5Å; L242-I250 HydrophobicContact CD2-CG2 4.14Å; A247-I250 HydrophobicContact CB-CB 4.29Å; A247-I250 HydrophobicContact CB-CD1 4.04Å; A247-I250 HydrophobicContact CB-CG1 4.38Å; A247-I250 PolarHBondContact O-N 2.73Å; I250-A253 HydrophobicContact CG2-CB 3.78Å
251S98.9Very high98.1Very high53 Ų5350.8 Ų50.837%0.37130%0.296SS..  trans-146.7145.3173.5-161.90000110.1A182 R191 V192 N193 A253A182-S251 WeakPolarHBondContact CB-OG 3.33Å; R191-S251 WeakPolarHBondContact CA-OG 3.43Å; V192-S251 PolarHBondContact N-OG 3.25Å; V192-S251 VanDerWaalsContact N-OG 3.16Å; N193-S251 VanDerWaalsContact OD1-CA 3.23Å; N193-S251 WeakPolarHBondContact OD1-CA 3.34Å; S251-A253 VanDerWaalsContact C-N 3.26Å; S251-A253 PolarHBondContact O-N 2.95Å
252G98.8Very high97.8Very high20 Ų2047.3 Ų47.321%0.20628%0.281CS..SBendtrans76.97.1-176.500000114.5V192 N193V192-G252 WeakPolarHBondContact O-CA 3.26Å; V192-G252 PolarHBondContact O-N 3.36Å; N193-G252 PolarHBondContact OD1-N 3.15Å
253A98.8Very high97.6Very high41 Ų4152.9 Ų52.934%0.33931%0.31SS..  trans-91.8151.2-176.900000112.2N193 A194 I250 S251N193-A253 CarbonylContact C-O 3.57Å; N193-A253 WeakPolarHBondContact CA-O 3.47Å; N193-A253 WeakPolarHBondContact CB-O 3.37Å; N193-A253 WeakPolarHBondContact OD1-CB 3.48Å; N193-A253 PolarHBondContact OD1-N 3.28Å; A194-A253 PolarHBondContact N-O 3.11Å; I250-A253 HydrophobicContact CG2-CB 3.78Å; S251-A253 VanDerWaalsContact C-N 3.26Å; S251-A253 PolarHBondContact O-N 2.95Å
254T98.8Very high97.3Very high30 Ų3055.4 Ų55.418%0.18432%0.32CS..EExtended strand (participates in β ladder)trans-118.4109.3170.2-61.30000109.3I154 W158 D175 A194 A196I154-T254 HydrophobicContact CD1-CG2 3.65Å; I154-T254 HydrophobicContact CG1-CG2 4.38Å; W158-T254 HydrophobicContact CH2-CG2 3.89Å; W158-T254 HydrophobicContact CZ2-CG2 3.62Å; D175-T254 WeakPolarHBondContact OD1-CB 3.15Å; D175-T254 PolarHBondContact OD1-OG1 3.23Å; A194-T254 HydrophobicContact CB-CG2 4.04Å; A194-T254 CarbonylContact O-C 3.56Å; A194-T254 WeakPolarHBondContact O-CA 3.41Å; A196-T254 HydrophobicContact CB-CG2 4.02Å
255L98.7Very high96.4Very high69 Ų6960.4 Ų60.436%0.36134%0.343SS..EExtended strand (participates in β ladder)trans-85.3118.1177.3179.959000109.9A194 V195 A196 A238 L242 V257A194-L255 PolarHBondContact O-N 2.82Å; V195-L255 CarbonylContact C-O 3.59Å; V195-L255 WeakPolarHBondContact CA-O 3.29Å; A196-L255 PolarHBondContact N-O 3.11Å; A238-L255 HydrophobicContact CB-CD2 3.9Å; L242-L255 HydrophobicContact CD1-CB 4.12Å; L242-L255 HydrophobicContact CD1-CD2 4.26Å; L255-V257 HydrophobicContact CD2-CG2 4.41Å; L255-V257 HydrophobicContact CG-CG2 4.1Å
256R98.4Very high95.4Very high94 Ų9461 Ų6136%0.35536%0.355SS..EExtended strand (participates in β ladder)trans-83.6127.1174.7-55.4179.7-168.6-173.8-0.8109.1W158 A196 S262W158-R256 VanDerWaalsContact CE2-CZ 3.42Å; W158-R256 HydrophobicContact CZ2-CG 4.16Å; A196-R256 HydrophobicContact CB-CG 4.46Å; R256-S262 PolarHBondContact NH1-OG 2.78Å
257V98.3Very high94.9Very high34 Ų3465.8 Ų65.821%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-123.772.9177.4-169.20000107.1V195 A196 P197 G198 I235 A238 L255V195-V257 HydrophobicContact CG1-CG2 3.81Å; A196-V257 PolarHBondContact O-N 3.2Å; P197-V257 WeakPolarHBondContact CA-O 3.44Å; G198-V257 PolarHBondContact N-O 3.31Å; I235-V257 HydrophobicContact CD1-CB 3.64Å; I235-V257 HydrophobicContact CD1-CG1 3.54Å; A238-V257 HydrophobicContact CB-CG2 3.7Å; L255-V257 HydrophobicContact CD2-CG2 4.41Å; L255-V257 HydrophobicContact CG-CG2 4.1Å
258D97.1Very high94.5Very high17 Ų1775.4 Ų75.49%0.09140%0.403CS..SBendtrans-138.75.4-164.870.4-14.5000113G260 Q261 S262D258-G260 PolarHBondContact O-N 2.96Å; D258-G260 VanDerWaalsContact O-N 3.16Å; D258-G260 PolarHBondContact OD1-N 3.33Å; D258-Q261 HydrophobicContact CB-CB 4.13Å; D258-Q261 WeakPolarHBondContact O-CB 3.21Å; D258-Q261 PolarHBondContact O-N 3.16Å; D258-S262 WeakPolarHBondContact OD2-CB 2.95Å; D258-S262 PolarHBondContact OD2-N 3.22Å; D258-S262 PolarHBondContact OD2-OG 2.88Å
259A96.9Very high94.3Very high33 Ų3379.4 Ų79.427%0.27341%0.412SS..THydrogen-bonded Turntrans49.635.7-172.200000113.7P225 A226 Q261 W276P225-A259 WeakPolarHBondContact CB-O 3.37Å; A226-A259 HydrophobicContact CB-CB 3.61Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 3.35Å; A259-W276 HydrophobicContact CB-CH2 4.09Å; A259-W276 HydrophobicContact CB-CZ2 3.6Å
260G94.8Very high94.1Very high26 Ų2669.9 Ų69.927%0.26838%0.377SS..THydrogen-bonded Turntrans77.46.9-178.700000114.5D258 S262 L263 Y264D258-G260 PolarHBondContact O-N 2.96Å; D258-G260 VanDerWaalsContact O-N 3.16Å; D258-G260 PolarHBondContact OD1-N 3.33Å; G260-S262 PolarHBondContact O-N 3.18Å; G260-L263 WeakPolarHBondContact O-CA 3.49Å; G260-L263 WeakPolarHBondContact O-CB 3.26Å; G260-L263 PolarHBondContact O-N 3.16Å; G260-Y264 PolarHBondContact O-N 3.37Å
261Q94.3Very high93.9Very high35 Ų3571.9 Ų71.916%0.16439%0.393CS..THydrogen-bonded Turntrans-52.3-40.1178.6-177.8171.237.500112.2T199 D258 A259 L263 Y264T199-Q261 PolarHBondContact OG1-NE2 2.81Å; T199-Q261 PolarHBondContact OG1-OE1 3.09Å; D258-Q261 HydrophobicContact CB-CB 4.13Å; D258-Q261 WeakPolarHBondContact O-CB 3.21Å; D258-Q261 PolarHBondContact O-N 3.16Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 3.35Å; Q261-L263 PolarHBondContact O-N 3.18Å; Q261-L263 VanDerWaalsContact O-N 3.14Å; Q261-Y264 PolarHBondContact O-N 3.06Å; Q261-Y264 VanDerWaalsContact O-N 3.15Å
262S93.8Very high93.7Very high5 Ų575.5 Ų75.54%0.03540%0.404CS..THydrogen-bonded Turntrans-60.6-25.3176.658.50000114.2D156 K159 R256 D258 G260D156-S262 WeakPolarHBondContact OD1-CB 3.36Å; D156-S262 WeakPolarHBondContact OD2-CA 3.43Å; D156-S262 VanDerWaalsContact OD2-CB 3.24Å; D156-S262 WeakPolarHBondContact OD2-CB 3.45Å; D156-S262 PolarHBondContact OD2-N 2.66Å; D156-S262 VanDerWaalsContact OD2-N 3.17Å; K159-S262 WeakPolarHBondContact CD-O 3.33Å; K159-S262 WeakPolarHBondContact CE-O 3.38Å; K159-S262 PolarHBondContact NZ-O 3.25Å; R256-S262 PolarHBondContact NH1-OG 2.78Å; D258-S262 WeakPolarHBondContact OD2-CB 2.95Å; D258-S262 PolarHBondContact OD2-N 3.22Å; D258-S262 PolarHBondContact OD2-OG 2.88Å; G260-S262 PolarHBondContact O-N 3.18Å
263L93.4Very high93.6Very high123 Ų12377.5 Ų77.564%0.64441%0.408SS*.THydrogen-bonded Turntrans-93.1-23.1-178.6-57.6-178.6000111.9K159 G260 Q261 H265K159-L263 PolarHBondContact NZ-O 2.83Å; G260-L263 WeakPolarHBondContact O-CA 3.49Å; G260-L263 WeakPolarHBondContact O-CB 3.26Å; G260-L263 PolarHBondContact O-N 3.16Å; Q261-L263 PolarHBondContact O-N 3.18Å; Q261-L263 VanDerWaalsContact O-N 3.14Å; L263-H265 PolarHBondContact O-N 3.08Å
264Y92.4Very high93.4Very high56 Ų5681.1 Ų81.122%0.2243%0.431CS..  trans-60.3130.2-177.5-163.1-139.8000111.7K159 L223 P225 G260 Q261 W268 I270K159-Y264 PolarHBondContact NZ-O 3.29Å; L223-Y264 VanDerWaalsContact O-CD1 3.31Å; L223-Y264 WeakPolarHBondContact O-CD1 3.49Å; P225-Y264 HydrophobicContact CG-CD1 4.5Å; P225-Y264 HydrophobicContact CG-CD2 4.31Å; P225-Y264 HydrophobicContact CG-CG 4Å; G260-Y264 PolarHBondContact O-N 3.37Å; Q261-Y264 PolarHBondContact O-N 3.06Å; Q261-Y264 VanDerWaalsContact O-N 3.15Å; Y264-W268 WeakPolarHBondContact CE2-O 3.31Å; Y264-I270 HydrophobicContact CD2-CD1 3.78Å; Y264-I270 HydrophobicContact CD2-CG1 4.38Å; Y264-I270 HydrophobicContact CE2-CB 4.19Å; Y264-I270 HydrophobicContact CE2-CD1 3.52Å; Y264-I270 HydrophobicContact CE2-CG1 3.66Å; Y264-I270 PolarHBondContact OH-N 3.25Å; Y264-I270 VanDerWaalsContact OH-N 3.12Å
265H80.3Confident93.3Very high112 Ų11285 Ų8552%0.51946%0.459SS..  trans-140.7147.1-178.6-173.4-82.9000108.6L263 L267 W268L263-H265 PolarHBondContact O-N 3.08Å; H265-L267 PolarHBondContact ND1-N 3.23Å; H265-L267 PolarHBondContact O-N 3.02Å; H265-W268 PolarHBondContact O-N 3.19Å; H265-W268 VanDerWaalsContact O-N 3.15Å
266A76.8Confident93.3Very high101 Ų10186.8 Ų86.884%0.83546%0.461SS*.THydrogen-bonded Turntrans-61.2-3.5-172.600000116.1
267L88Confident93.2Very high157 Ų15786.6 Ų86.682%0.82247%0.472SS*.THydrogen-bonded Turntrans-83.1-19.5177.7-70.4174.5000112.8H265H265-L267 PolarHBondContact ND1-N 3.23Å; H265-L267 PolarHBondContact O-N 3.02Å
268W91.2Very high92.9Very high201 Ų20192.7 Ų92.776%0.76150%0.498SS*.SBendtrans-123.1109179-169-86.9000108.3Y264 H265Y264-W268 WeakPolarHBondContact CE2-O 3.31Å; H265-W268 PolarHBondContact O-N 3.19Å; H265-W268 VanDerWaalsContact O-N 3.15Å
269E92.4Very high92.7Very high171 Ų17192.4 Ų92.480%0.79950%0.498SS*.PPolyproline II helixtrans-88.7126.5179.8-171.1174.7-177.800110.3
270I94.5Very high92.5Very high35 Ų3592.8 Ų92.818%0.17950%0.498CS..PPolyproline II helixtrans-95.1122173.8-64.2167.8000107.8P225 K227 Y264P225-I270 HydrophobicContact CB-CD1 3.55Å; P225-I270 HydrophobicContact CG-CD1 4Å; K227-I270 WeakPolarHBondContact CE-O 3.49Å; K227-I270 PolarHBondContact NZ-O 3.42Å; Y264-I270 HydrophobicContact CD2-CD1 3.78Å; Y264-I270 HydrophobicContact CD2-CG1 4.38Å; Y264-I270 HydrophobicContact CE2-CB 4.19Å; Y264-I270 HydrophobicContact CE2-CD1 3.52Å; Y264-I270 HydrophobicContact CE2-CG1 3.66Å; Y264-I270 PolarHBondContact OH-N 3.25Å; Y264-I270 VanDerWaalsContact OH-N 3.12Å
271P94.8Very high92.4Very high96 Ų9696.6 Ų96.662%0.62351%0.509SS*.PPolyproline II helixtrans-63.4156.2178.527.9-35000111.1K227 H273K227-P271 WeakPolarHBondContact CE-O 3.37Å; P271-H273 PolarHBondContact O-CD2 2.92Å; P271-H273 PolarHBondContact O-N 3.24Å
272E95.4Very high92.2Very high129 Ų12995.2 Ų95.260%0.60350%0.504SS*.PPolyproline II helixtrans-59.1134.7172.2-68.5-56.112000111K227K227-E272 WeakPolarHBondContact CD-OE1 3.28Å; K227-E272 IonicContact NZ-OE1 2.73Å; K227-E272 PolarHBondContact NZ-OE1 3.49Å
273H96.6Very high92Very high62 Ų6299.7 Ų99.729%0.28752%0.524SS..  trans-157161.2-179.467.765000112.2P225 K227 P271P225-H273 PolarHBondContact O-CE1 3.46Å; P225-H273 PolarHBondContact O-NE2 3.02Å; K227-H273 WeakPolarHBondContact CB-O 3.34Å; P271-H273 PolarHBondContact O-CD2 2.92Å; P271-H273 PolarHBondContact O-N 3.24Å
274S95.1Very high92Very high118 Ų11895.4 Ų95.483%0.82550%0.502SS*.SBendtrans-117.114.1172.7560000113.2W276S274-W276 VanDerWaalsContact C-N 3.33Å; S274-W276 PolarHBondContact O-N 2.91Å
275S97.1Very high92.1Very high110 Ų11093.6 Ų93.677%0.76950%0.496SS*.  trans-81-5.9-172.4-51.50000115
276W97.4Very high92.8Very high108 Ų10892.1 Ų92.141%0.40949%0.492SS..SBendtrans-68.2143.5176-166.1-93.2000110.2A226 A259 S274 E278A226-W276 HydrophobicContact CB-CB 4.1Å; A226-W276 HydrophobicContact CB-CD2 3.53Å; A226-W276 HydrophobicContact CB-CE3 4.11Å; A226-W276 HydrophobicContact CB-CG 3.5Å; A226-W276 VanDerWaalsContact CB-CG 3.5Å; A259-W276 HydrophobicContact CB-CH2 4.09Å; A259-W276 HydrophobicContact CB-CZ2 3.6Å; S274-W276 VanDerWaalsContact C-N 3.33Å; S274-W276 PolarHBondContact O-N 2.91Å; W276-E278 PolarHBondContact O-N 3.43Å
277P95.9Very high93.6Very high89 Ų8987.7 Ų87.758%0.57846%0.456SS*.PPolyproline II helixtrans-50.2142.2178.7-29.635.6000113.5R228R228-P277 PolarHBondContact NE-O 2.88Å; R228-P277 VanDerWaalsContact NE-O 3.16Å; R228-P277 PolarHBondContact NH2-O 3.37Å
278E92.7Very high93.9Very high163 Ų16380.8 Ų80.876%0.76242%0.419SS*.PPolyproline II helixtrans-57.9145.1-177.6-65.5-168.9173.200111.7W276W276-E278 PolarHBondContact O-N 3.43Å
279A93.3Very high94.1Very high11 Ų1175.5 Ų75.59%0.09140%0.402CS..PPolyproline II helixtrans-72.2151.2172.700000110.4L231 Q281 L285L231-A279 HydrophobicContact CD1-CB 3.72Å; L231-A279 HydrophobicContact CG-CB 4.14Å; A279-Q281 PolarHBondContact O-N 3.32Å; A279-L285 HydrophobicContact CB-CD1 4.17Å
280P93.4Very high94.1Very high40 Ų4072.4 Ų72.426%0.2639%0.387SS..PPolyproline II helixtrans-55.1137.5177-25.735000112.3A3 E233 E234 L285A3-P280 HydrophobicContact CB-CB 3.84Å; E233-P280 HydrophobicContact CB-CB 3.93Å; E233-P280 HydrophobicContact CB-CG 3.94Å; E234-P280 HydrophobicContact CG-CG 3.79Å; P280-L285 WeakPolarHBondContact O-CB 3.32Å
281Q92.1Very high94Very high107 Ų10771.3 Ų71.350%0.538%0.382SS..PPolyproline II helixtrans-68.7143177.5-60.2-64.1-2700110.8A3 A279A3-Q281 VanDerWaalsContact CA-O 3.26Å; A3-Q281 WeakPolarHBondContact CA-O 3.17Å; A3-Q281 VanDerWaalsContact CB-O 3.24Å; A3-Q281 WeakPolarHBondContact CB-O 3.34Å; A3-Q281 PolarHBondContact N-O 2.99Å; A279-Q281 PolarHBondContact O-N 3.32Å
282G89.9Confident93.8Very high6 Ų671 Ų716%0.06237%0.374CS..SBendtrans145.6-169.1171.600000114.3M1 N284 L285 D286M1-G282 WeakPolarHBondContact O-CA 3.41Å; G282-N284 VanDerWaalsContact C-N 3.27Å; G282-N284 PolarHBondContact O-N 2.8Å; G282-N284 VanDerWaalsContact O-N 3.17Å; G282-L285 WeakPolarHBondContact O-CB 3.44Å; G282-L285 PolarHBondContact O-N 2.78Å; G282-D286 PolarHBondContact O-N 3.36Å
283E90.5Very high93.5Very high98 Ų9871.6 Ų71.646%0.45838%0.375SS..Hα-helixtrans-57.5-35.3-170.1-66166.4-152.600113.4K61 A287K61-E283 IonicContact NZ-OE1 2.86Å; K61-E283 PolarHBondContact NZ-OE1 3.41Å; E283-A287 VanDerWaalsContact O-CB 3.26Å; E283-A287 WeakPolarHBondContact O-CB 3.41Å; E283-A287 PolarHBondContact O-N 3.01Å
284N93.1Very high92.6Very high33 Ų3372.7 Ų72.718%0.17639%0.386CS..Hα-helixtrans-71.3-36.9176.9-76.5-47.6000112.4L231 E233 G282 L288L231-N284 HydrophobicContact CD1-CB 4.48Å; L231-N284 HydrophobicContact CD2-CB 4.26Å; E233-N284 PolarHBondContact OE1-ND2 2.81Å; E233-N284 PolarHBondContact OE2-ND2 2.8Å; G282-N284 VanDerWaalsContact C-N 3.27Å; G282-N284 PolarHBondContact O-N 2.8Å; G282-N284 VanDerWaalsContact O-N 3.17Å; N284-L288 WeakPolarHBondContact O-CB 3.41Å; N284-L288 PolarHBondContact O-N 2.65Å
285L94.5Very high90.8Very high19 Ų1975.7 Ų75.710%0.09939%0.387CS..Hα-helixtrans-69-42174.5-179.657.7000111.2L231 A279 P280 G282 A287 L288 K289L231-L285 HydrophobicContact CD1-CB 3.68Å; L231-L285 HydrophobicContact CD1-CD1 4.2Å; L231-L285 HydrophobicContact CD1-CG 4.48Å; A279-L285 HydrophobicContact CB-CD1 4.17Å; P280-L285 WeakPolarHBondContact O-CB 3.32Å; G282-L285 WeakPolarHBondContact O-CB 3.44Å; G282-L285 PolarHBondContact O-N 2.78Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 3.29Å; L285-L288 WeakPolarHBondContact O-CB 3.32Å; L285-L288 PolarHBondContact O-N 3.35Å; L285-K289 HydrophobicContact CD1-CG 4.49Å; L285-K289 HydrophobicContact CG-CD 4.37Å; L285-K289 WeakPolarHBondContact O-CG 3.31Å; L285-K289 PolarHBondContact O-N 2.96Å
286D94.3Very high88.6Confident80 Ų8073.8 Ų73.843%0.42837%0.374SS..Hα-helixtrans-60.3-45.2175.7-65.3-27000110.5G282 L288 K289 E290G282-D286 PolarHBondContact O-N 3.36Å; D286-L288 VanDerWaalsContact C-N 3.32Å; D286-L288 PolarHBondContact O-N 2.84Å; D286-K289 PolarHBondContact O-N 2.95Å; D286-E290 WeakPolarHBondContact O-CG 3.39Å; D286-E290 PolarHBondContact O-N 3.24Å
287A93.4Very high85.7Confident9 Ų978.8 Ų78.87%0.07440%0.398CS..Hα-helixtrans-60.7-38.9174.600000113.1F201 K203 E283 L285 E290 L291F201-A287 HydrophobicContact CE1-CB 3.83Å; F201-A287 HydrophobicContact CZ-CB 4.29Å; K203-A287 HydrophobicContact CD-CB 4.18Å; K203-A287 HydrophobicContact CG-CB 3.87Å; E283-A287 VanDerWaalsContact O-CB 3.26Å; E283-A287 WeakPolarHBondContact O-CB 3.41Å; E283-A287 PolarHBondContact O-N 3.01Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 3.29Å; A287-E290 PolarHBondContact O-N 2.96Å; A287-L291 PolarHBondContact O-N 2.99Å
288L94.6Very high83.1Confident12 Ų1283.6 Ų83.66%0.06342%0.418CS..Hα-helixtrans-66.1-45.4176.9176.455.8000110.7F201 L229 L231 N284 L285 D286 E290 L291 L292F201-L288 HydrophobicContact CB-CD1 4.33Å; F201-L288 HydrophobicContact CD1-CB 3.6Å; F201-L288 HydrophobicContact CD1-CD1 4.03Å; F201-L288 HydrophobicContact CD1-CG 4.28Å; F201-L288 HydrophobicContact CD2-CD1 4.32Å; F201-L288 VanDerWaalsContact CE1-CA 3.44Å; F201-L288 HydrophobicContact CE1-CB 3.73Å; F201-L288 HydrophobicContact CE1-CD1 4.46Å; F201-L288 VanDerWaalsContact CE1-N 3.29Å; F201-L288 HydrophobicContact CG-CB 4.36Å; F201-L288 HydrophobicContact CG-CD1 3.93Å; L229-L288 HydrophobicContact CB-CD2 4.4Å; L229-L288 HydrophobicContact CD1-CD1 3.78Å; L231-L288 HydrophobicContact CD2-CB 4.44Å; L231-L288 HydrophobicContact CD2-CD2 3.97Å; N284-L288 WeakPolarHBondContact O-CB 3.41Å; N284-L288 PolarHBondContact O-N 2.65Å; L285-L288 WeakPolarHBondContact O-CB 3.32Å; L285-L288 PolarHBondContact O-N 3.35Å; D286-L288 VanDerWaalsContact C-N 3.32Å; D286-L288 PolarHBondContact O-N 2.84Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.92Å; L288-L291 HydrophobicContact CD1-CD2 4.4Å; L288-L291 WeakPolarHBondContact O-CB 3.44Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L288-L292 HydrophobicContact CD1-CD1 4.15Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 4.09Å; L288-L292 HydrophobicContact CG-CD1 4.15Å; L288-L292 HydrophobicContact CG-CG 4.49Å; L288-L292 WeakPolarHBondContact O-CG 3.24Å; L288-L292 PolarHBondContact O-N 3.2Å
289K94.3Very high82.6Confident90 Ų9079.7 Ų79.739%0.39140%0.401SS..Hα-helixtrans-56.8-42.8176.1-72.7170.4179.4168.60111.1L285 D286 L292 K293L285-K289 HydrophobicContact CD1-CG 4.49Å; L285-K289 HydrophobicContact CG-CD 4.37Å; L285-K289 WeakPolarHBondContact O-CG 3.31Å; L285-K289 PolarHBondContact O-N 2.96Å; D286-K289 PolarHBondContact O-N 2.95Å; K289-L292 PolarHBondContact O-N 3.48Å; K289-K293 WeakPolarHBondContact O-CG 3.36Å; K289-K293 PolarHBondContact O-N 3.11Å
290E93.6Very high82Confident105 Ų10583.3 Ų83.349%0.49142%0.418SS..Hα-helixtrans-64.3-41.4176.1-69.3-51128.300113.2D286 A287 L288 L292 K293 T294D286-E290 WeakPolarHBondContact O-CG 3.39Å; D286-E290 PolarHBondContact O-N 3.24Å; A287-E290 PolarHBondContact O-N 2.96Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.92Å; E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 3.28Å; E290-K293 PolarHBondContact O-N 2.91Å; E290-K293 IonicContact OE1-NZ 2.93Å; E290-K293 PolarHBondContact OE1-NZ 3.02Å; E290-T294 PolarHBondContact O-N 3.18Å; E290-T294 PolarHBondContact O-OG1 3.24Å
291L91.8Very high81.4Confident12 Ų1285.7 Ų85.76%0.06343%0.426CS..Hα-helixtrans-57.9-43.6172.7169.664.6000111.4F201 M206 P214 F217 K218 A287 L288 T294F201-L291 HydrophobicContact CD2-CD2 3.86Å; F201-L291 HydrophobicContact CE2-CB 4.42Å; F201-L291 HydrophobicContact CE2-CD2 3.46Å; F201-L291 VanDerWaalsContact CE2-CD2 3.46Å; F201-L291 HydrophobicContact CZ-CB 4.36Å; F201-L291 HydrophobicContact CZ-CD2 4.2Å; M206-L291 HydrophobicContact SD-CD1 3.88Å; M206-L291 HydrophobicContact SD-CD2 4.12Å; P214-L291 HydrophobicContact CB-CD1 3.66Å; P214-L291 HydrophobicContact CG-CD1 4.42Å; F217-L291 HydrophobicContact CB-CD2 4.09Å; K218-L291 WeakPolarHBondContact CE-O 3.48Å; K218-L291 PolarHBondContact NZ-O 3.17Å; A287-L291 PolarHBondContact O-N 2.99Å; L288-L291 HydrophobicContact CD1-CD2 4.4Å; L288-L291 WeakPolarHBondContact O-CB 3.44Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L291-T294 PolarHBondContact O-N 2.92Å; L291-T294 PolarHBondContact O-OG1 3.19Å
292L90.9Very high80.8Confident90 Ų9084.4 Ų84.447%0.47142%0.422SS..Hα-helixtrans-71.8-30.7-176.9-64.4177.5000112.7K218 I221 L288 K289 E290 T294K218-L292 HydrophobicContact CG-CD2 4.46Å; I221-L292 HydrophobicContact CD1-CD2 3.63Å; L288-L292 HydrophobicContact CD1-CD1 4.15Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 4.09Å; L288-L292 HydrophobicContact CG-CD1 4.15Å; L288-L292 HydrophobicContact CG-CG 4.49Å; L288-L292 WeakPolarHBondContact O-CG 3.24Å; L288-L292 PolarHBondContact O-N 3.2Å; K289-L292 PolarHBondContact O-N 3.48Å; E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 3.28Å; L292-T294 VanDerWaalsContact C-N 3.34Å
293K89.1Confident80.2Confident141 Ų14189.3 Ų89.361%0.61345%0.445SS*.Hα-helixtrans-68.6-30174.6-73.2172.4-171.8172.50113.4K289 E290 Q295K289-K293 WeakPolarHBondContact O-CG 3.36Å; K289-K293 PolarHBondContact O-N 3.11Å; E290-K293 PolarHBondContact O-N 2.91Å; E290-K293 IonicContact OE1-NZ 2.93Å; E290-K293 PolarHBondContact OE1-NZ 3.02Å; K293-Q295 PolarHBondContact O-N 3.36Å
294T77.3Confident79.5Confident85 Ų8588.7 Ų88.752%0.52144%0.444SS..SBendtrans-68.9105.7179.9-1.40000108.6K218 E290 L291 L292 S296K218-T294 PolarHBondContact NZ-O 2.99Å; E290-T294 PolarHBondContact O-N 3.18Å; E290-T294 PolarHBondContact O-OG1 3.24Å; L291-T294 PolarHBondContact O-N 2.92Å; L291-T294 PolarHBondContact O-OG1 3.19Å; L292-T294 VanDerWaalsContact C-N 3.34Å; T294-S296 PolarHBondContact O-N 3.04Å
295Q57.8Low78.5Confident181 Ų18192.7 Ų92.785%0.84646%0.463SS*.  trans-56.8130.8171.2-82.8-172.4-17.200108.9K293 K297K293-Q295 PolarHBondContact O-N 3.36Å; Q295-K297 PolarHBondContact O-N 3.09Å
296S50.6Low77.3Confident71 Ų7198.4 Ų98.450%0.49749%0.491SS..  trans-64.997.9172-1780000107.9T294 L298T294-S296 PolarHBondContact O-N 3.04Å; S296-L298 PolarHBondContact O-N 2.99Å; S296-L298 WeakPolarHBondContact OG-CD1 3.14Å
297K37.8Very low75.9Confident212 Ų21299.9 Ų99.992%0.92250%0.496SS*.  trans-69.885.8155.2-71.7-175.1178.8-177.60106.1Q295Q295-K297 PolarHBondContact O-N 3.09Å
298L40.1Very low74.3Confident191 Ų191108.2 Ų108.2100%153%0.534SS*.  trans-110.30159.7-92.2164.6000106.7H215 S296H215-L298 WeakPolarHBondContact ND1-CD1 3.49Å; S296-L298 PolarHBondContact O-N 2.99Å; S296-L298 WeakPolarHBondContact OG-CD1 3.14Å

Retrieved 298 of 298 residues in 683.8 ms (Link to these results)

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