A0A087YA30_POEFO Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A087YA30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1V81.9Confident86.8Confident114 Ų11476 Ų7669%0.69142%0.416SS*.  0133.60-176.70000106.2D183 R185 T186V1-D183 HydrophobicContact CG1-CB 3.65Å; V1-R185 HydrophobicContact CG1-CB 4.45Å; V1-T186 HydrophobicContact CG1-CG2 3.77Å
2K89.4Confident85.1Confident38 Ų3877.4 Ų77.417%0.16542%0.423CS..PPolyproline II helixtrans-82.4128.1-178.3-175.5168.3179.8167.10109.6E52 Y126 N127 D183 T186K2-E52 WeakPolarHBondContact CE-OE1 3.45Å; K2-E52 IonicContact NZ-OE1 2.84Å; K2-E52 PolarHBondContact NZ-OE1 3.21Å; K2-E52 IonicContact NZ-OE2 3.08Å; K2-E52 PolarHBondContact NZ-OE2 2.87Å; K2-Y126 HydrophobicContact CB-CE1 4.49Å; K2-Y126 HydrophobicContact CB-CE2 3.73Å; K2-Y126 HydrophobicContact CD-CD1 4.06Å; K2-Y126 HydrophobicContact CD-CD2 4.46Å; K2-Y126 HydrophobicContact CD-CE1 3.63Å; K2-Y126 HydrophobicContact CD-CE2 4.09Å; K2-Y126 HydrophobicContact CD-CG 4.46Å; K2-Y126 WeakPolarHBondContact CD-O 3.18Å; K2-Y126 WeakPolarHBondContact CE-O 3.48Å; K2-Y126 PolarHBondContact NZ-O 2.86Å; K2-N127 PolarHBondContact NZ-OD1 2.84Å; K2-D183 HydrophobicContact CB-CB 4.45Å; K2-D183 WeakPolarHBondContact O-CB 3.35Å; K2-D183 PolarHBondContact O-N 3.17Å; K2-T186 PolarHBondContact O-OG1 3.07Å
3E96.1Very high83.5Confident143 Ų14372.3 Ų72.367%0.66840%0.396SS*.PPolyproline II helixtrans-66.4140.8176.9-73.1-56.7140.500110.9
4A97.3Very high82.2Confident17 Ų1773.5 Ų73.514%0.1440%0.397CS..PPolyproline II helixtrans-87.7146.5178.800000111.6S181 T186 F187 L190A4-S181 CarbonylContact C-O 3.58Å; A4-S181 WeakPolarHBondContact CA-O 3.27Å; A4-S181 VanDerWaalsContact CB-O 3.28Å; A4-S181 WeakPolarHBondContact CB-O 3.23Å; A4-T186 WeakPolarHBondContact CB-OG1 3.37Å; A4-T186 PolarHBondContact N-OG1 3.14Å; A4-T186 VanDerWaalsContact N-OG1 3.14Å; A4-F187 HydrophobicContact CB-CB 3.95Å; A4-F187 VanDerWaalsContact CB-N 3.3Å; A4-L190 HydrophobicContact CB-CB 4.46Å; A4-L190 HydrophobicContact CB-CD2 3.86Å
5K96.6Very high81Confident85 Ų8576.9 Ų76.937%0.3741%0.407SS..EExtended strand (participates in β ladder)trans-142.6149.7175.459.5166.4177.2140.30111.6H7 S128 E132 Y180 S181K5-H7 WeakPolarHBondContact CE-CE1 3.41Å; K5-H7 PolarHBondContact NZ-CE1 3.08Å; K5-H7 PolarHBondContact NZ-ND1 2.93Å; K5-H7 PolarHBondContact O-CD2 3.36Å; K5-S128 WeakPolarHBondContact CE-OG 3.26Å; K5-E132 IonicContact NZ-OE1 2.8Å; K5-E132 PolarHBondContact NZ-OE1 2.9Å; K5-Y180 WeakPolarHBondContact O-CA 3.41Å; K5-S181 PolarHBondContact N-O 3.23Å; K5-S181 PolarHBondContact O-N 2.95Å
6E96.8Very high80.1Confident82 Ų8273.3 Ų73.338%0.38339%0.388SS..EExtended strand (participates in β ladder)trans-83.8141.8167.3-171.8161.9-172.900109F179 Y180 K194E6-F179 WeakPolarHBondContact CA-O 3.4Å; E6-Y180 HydrophobicContact CB-CD1 4.06Å; E6-Y180 HydrophobicContact CB-CE1 3.55Å; E6-Y180 HydrophobicContact CG-CE1 3.89Å; E6-Y180 HydrophobicContact CG-CE2 4.28Å; E6-Y180 PolarHBondContact OE1-OH 3.34Å; E6-Y180 PolarHBondContact OE2-OH 3.08Å; E6-K194 IonicContact OE1-NZ 2.96Å; E6-K194 PolarHBondContact OE1-NZ 3.12Å; E6-K194 WeakPolarHBondContact OE2-CE 3.42Å; E6-K194 IonicContact OE2-NZ 3.27Å; E6-K194 PolarHBondContact OE2-NZ 3.47Å
7H93.6Very high79.5Confident12 Ų1270.5 Ų70.56%0.05637%0.373CS..EExtended strand (participates in β ladder)trans-115.3141179.3-58.7-101.6000110.3K5 I131 E132 F179 S181K5-H7 WeakPolarHBondContact CE-CE1 3.41Å; K5-H7 PolarHBondContact NZ-CE1 3.08Å; K5-H7 PolarHBondContact NZ-ND1 2.93Å; K5-H7 PolarHBondContact O-CD2 3.36Å; H7-I131 HydrophobicContact CB-CG2 4.06Å; H7-E132 IonicContact CE1-OE1 3.46Å; H7-E132 PolarHBondContact CE1-OE1 3.49Å; H7-E132 WeakPolarHBondContact ND1-CG 3.44Å; H7-E132 IonicContact ND1-OE1 3.61Å; H7-E132 PolarHBondContact ND1-OE1 3.34Å; H7-F179 HydrophobicContact CB-CB 4Å; H7-F179 PolarHBondContact N-O 2.78Å; H7-S181 PolarHBondContact CD2-N 2.88Å; H7-S181 PolarHBondContact CE1-OG 3.48Å; H7-S181 WeakPolarHBondContact NE2-CB 3.35Å; H7-S181 PolarHBondContact NE2-N 3.19Å; H7-S181 PolarHBondContact NE2-OG 3.3Å
8L87.7Confident78.7Confident151 Ų15170.6 Ų70.679%0.79138%0.377SS*.PPolyproline II helixtrans-100.8137.1172-61.4177.3000108.5
9P78.5Confident78.1Confident36 Ų3673.5 Ų73.523%0.23439%0.393CS..PPolyproline II helixtrans-54.5141.6170.2-22.732.7000110.4V136 M174 F179P9-V136 HydrophobicContact CB-CG1 4.44Å; P9-M174 HydrophobicContact CB-CE 3.77Å; P9-M174 HydrophobicContact CG-CE 3.58Å; P9-F179 HydrophobicContact CG-CD2 4.27Å; P9-F179 HydrophobicContact CG-CE2 3.93Å
10P71.2Confident77.6Confident50 Ų5070.8 Ų70.833%0.32538%0.382SS..PPolyproline II helixtrans-66153.3178.726.4-31.3000111.3D12 L16P10-D12 VanDerWaalsContact C-N 3.28Å; P10-D12 PolarHBondContact O-N 3.44Å; P10-L16 HydrophobicContact CG-CD1 3.3Å; P10-L16 HydrophobicContact CG-CG 4.01Å
11S65.5Low77.5Confident108 Ų10871 Ų7176%0.75539%0.386SS*.SBendtrans-70.8-24.2179.8-48.70000113.2
12D66.8Low77.6Confident93 Ų9369.4 Ų69.450%0.49737%0.37SS..  trans-121.396.6174.4-173.4-1000110.2P10 E14P10-D12 VanDerWaalsContact C-N 3.28Å; P10-D12 PolarHBondContact O-N 3.44Å; D12-E14 PolarHBondContact OD1-N 3.47Å
13P64.3Low77.5Confident11 Ų1171.3 Ų71.37%0.07138%0.38CS..  trans-82.4-16.8-178.333.2-35.3000113.4F15 L16 L17 I140 L168P13-F15 PolarHBondContact O-N 3.05Å; P13-L16 WeakPolarHBondContact O-CB 3.32Å; P13-L16 PolarHBondContact O-N 3.18Å; P13-L17 PolarHBondContact O-N 3.49Å; P13-I140 HydrophobicContact CB-CD1 3.74Å; P13-I140 HydrophobicContact CB-CG2 4.26Å; P13-L168 HydrophobicContact CB-CB 4.49Å; P13-L168 HydrophobicContact CB-CD2 4.11Å; P13-L168 HydrophobicContact CG-CB 3.68Å; P13-L168 HydrophobicContact CG-CD2 3.95Å; P13-L168 HydrophobicContact CG-CG 4.42Å
14E64.8Low77.2Confident89 Ų8968.1 Ų68.142%0.41637%0.37SS..Hα-helixtrans-64.1-34.8-178.2-71.2-176.3173.200110.3D12 L16 L17 T18D12-E14 PolarHBondContact OD1-N 3.47Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.06Å; E14-L17 PolarHBondContact O-N 3.39Å; E14-L17 VanDerWaalsContact O-N 3.13Å; E14-T18 PolarHBondContact O-N 3.44Å; E14-T18 PolarHBondContact O-OG1 3.38Å
15F65.1Low76.9Confident124 Ų12468 Ų6854%0.54437%0.366SS..Hα-helixtrans-59.9-33.8172.7-175.4-101000113.1P13 L17P13-F15 PolarHBondContact O-N 3.05Å; F15-L17 VanDerWaalsContact C-N 3.28Å; F15-L17 PolarHBondContact O-N 3.06Å
16L65.3Low76.7Confident19 Ų1968.9 Ų68.910%0.09938%0.379CS..Hα-helixtrans-72.3-22178.5-69.1-178.9000113.4P10 P13 E14 R48 V136 P137 I140P10-L16 HydrophobicContact CG-CD1 3.3Å; P10-L16 HydrophobicContact CG-CG 4.01Å; P13-L16 WeakPolarHBondContact O-CB 3.32Å; P13-L16 PolarHBondContact O-N 3.18Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.06Å; L16-R48 VanDerWaalsContact C-NH2 3.3Å; L16-R48 PolarHBondContact O-NH1 3.13Å; L16-R48 PolarHBondContact O-NH2 3.24Å; L16-V136 HydrophobicContact CD1-CG1 4.21Å; L16-P137 HydrophobicContact CB-CB 4.3Å; L16-P137 HydrophobicContact CB-CG 4.1Å; L16-P137 HydrophobicContact CD1-CG 3.99Å; L16-P137 HydrophobicContact CG-CG 4.46Å; L16-I140 HydrophobicContact CD1-CD1 4.25Å
17L70.1Confident76.5Confident26 Ų2666.3 Ų66.314%0.13637%0.368CS..Hα-helixtrans-102.7-10-179.8-61-177.7000113.1P13 E14 F15 D19 G20 F22 P137 I140 L141P13-L17 PolarHBondContact O-N 3.49Å; E14-L17 PolarHBondContact O-N 3.39Å; E14-L17 VanDerWaalsContact O-N 3.13Å; F15-L17 VanDerWaalsContact C-N 3.28Å; F15-L17 PolarHBondContact O-N 3.06Å; L17-D19 PolarHBondContact O-N 3.31Å; L17-G20 PolarHBondContact O-N 3.26Å; L17-F22 HydrophobicContact CB-CZ 4.16Å; L17-F22 HydrophobicContact CD2-CE1 3.84Å; L17-F22 HydrophobicContact CD2-CZ 4.02Å; L17-P137 HydrophobicContact CD2-CB 4.15Å; L17-I140 HydrophobicContact CD1-CG2 3.95Å; L17-I140 HydrophobicContact CG-CG2 4.48Å; L17-L141 HydrophobicContact CD2-CB 4.44Å
18T66.6Low76.4Confident72 Ų7268.8 Ų68.844%0.44240%0.397SS..THydrogen-bonded Turntrans-63.1133.2179.7-55.10000109.9E14 G20E14-T18 PolarHBondContact O-N 3.44Å; E14-T18 PolarHBondContact O-OG1 3.38Å; T18-G20 PolarHBondContact O-N 3.32Å; T18-G20 VanDerWaalsContact O-N 3.13Å
19D66.6Low76.6Confident127 Ų12767.5 Ų67.568%0.67940%0.395SS*.THydrogen-bonded Turntrans58.219.4-176-57.2-47.3000115.5L17L17-D19 PolarHBondContact O-N 3.31Å
20G68.4Low77.2Confident18 Ų1866.3 Ų66.319%0.18639%0.387CS..  trans-72.1129.7174.500000113.5L17 T18 F22L17-G20 PolarHBondContact O-N 3.26Å; T18-G20 PolarHBondContact O-N 3.32Å; T18-G20 VanDerWaalsContact O-N 3.13Å; G20-F22 WeakPolarHBondContact O-CD2 3.49Å; G20-F22 VanDerWaalsContact O-CE2 3.26Å; G20-F22 WeakPolarHBondContact O-CE2 3.47Å
21V75.6Confident78.2Confident75 Ų7565.7 Ų65.746%0.45538%0.383SS..  trans-91.2123.3159.9-176.70000108.1N37 V40V21-N37 HydrophobicContact CB-CB 4.22Å; V21-N37 HydrophobicContact CG1-CB 4.13Å; V21-N37 WeakPolarHBondContact O-CB 3.33Å; V21-N37 PolarHBondContact O-N 3.17Å; V21-V40 HydrophobicContact CB-CG2 3.44Å; V21-V40 VanDerWaalsContact CB-CG2 3.44Å; V21-V40 HydrophobicContact CG2-CG2 3.94Å; V21-V40 WeakPolarHBondContact O-CG2 3.44Å
22F83.1Confident79.5Confident81 Ų8162.2 Ų62.236%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-110.1144.3-177.2-52.2-76.3000110.9L17 G20 F35 L36 L141L17-F22 HydrophobicContact CB-CZ 4.16Å; L17-F22 HydrophobicContact CD2-CE1 3.84Å; L17-F22 HydrophobicContact CD2-CZ 4.02Å; G20-F22 WeakPolarHBondContact O-CD2 3.49Å; G20-F22 VanDerWaalsContact O-CE2 3.26Å; G20-F22 WeakPolarHBondContact O-CE2 3.47Å; F22-F35 CarbonylContact C-O 3.59Å; F22-F35 WeakPolarHBondContact CA-O 3.26Å; F22-L36 HydrophobicContact CD1-CD2 3.65Å; F22-L36 HydrophobicContact CD1-CG 4.21Å; F22-L36 HydrophobicContact CE1-CD2 3.28Å; F22-L36 HydrophobicContact CE1-CG 4.02Å; F22-L36 HydrophobicContact CZ-CD2 4.13Å; F22-L141 HydrophobicContact CB-CD2 4.31Å; F22-L141 HydrophobicContact CD1-CD1 4.11Å; F22-L141 HydrophobicContact CD1-CD2 3.29Å; F22-L141 HydrophobicContact CD1-CG 4.33Å; F22-L141 HydrophobicContact CE1-CD1 4.06Å; F22-L141 HydrophobicContact CE1-CD2 3.77Å; F22-L141 HydrophobicContact CE1-CG 4.49Å; F22-L141 HydrophobicContact CG-CD1 4.44Å; F22-L141 HydrophobicContact CG-CD2 3.98Å; F22-L141 HydrophobicContact CZ-CD1 4.41Å
23E86.8Confident80.8Confident79 Ų7957.9 Ų57.937%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-112.4157.5170-75-179.1-10100110.1H34 F35 N37E23-H34 CarbonylContact O-C 3.52Å; E23-H34 WeakPolarHBondContact O-CA 3.46Å; E23-F35 HydrophobicContact CB-CD1 4.01Å; E23-F35 HydrophobicContact CB-CE1 3.37Å; E23-F35 HydrophobicContact CB-CE2 4.1Å; E23-F35 HydrophobicContact CB-CZ 3.43Å; E23-F35 VanDerWaalsContact CB-CZ 3.43Å; E23-F35 HydrophobicContact CG-CZ 4.2Å; E23-F35 PolarHBondContact N-O 3.28Å; E23-F35 PolarHBondContact O-N 3.12Å; E23-N37 HydrophobicContact CG-CB 4.2Å; E23-N37 WeakPolarHBondContact OE1-CB 3.49Å; E23-N37 PolarHBondContact OE1-ND2 3.01Å
24T90.1Very high82.1Confident75 Ų7559 Ų5946%0.4634%0.339SS..EExtended strand (participates in β ladder)trans-127.7125.6178.7-55.80000109.6P32 L33 H34T24-P32 HydrophobicContact CG2-CB 3.84Å; T24-L33 CarbonylContact C-O 3.55Å; T24-L33 WeakPolarHBondContact CA-O 3.32Å; T24-H34 PolarHBondContact OG1-CE1 3.39Å; T24-H34 PolarHBondContact OG1-ND1 2.95Å
25I91.4Very high83.3Confident14 Ų1455.2 Ų55.27%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-93.7126.5171.5-55.9174.5000107.8I27 L33 F35 Y81 L84 L108I25-I27 HydrophobicContact CG2-CD1 3.64Å; I25-I27 HydrophobicContact CG2-CG1 3.82Å; I25-L33 HydrophobicContact CB-CB 4.32Å; I25-L33 PolarHBondContact N-O 3.23Å; I25-L33 PolarHBondContact O-N 2.7Å; I25-F35 HydrophobicContact CD1-CD1 4.03Å; I25-F35 HydrophobicContact CD1-CE1 3.74Å; I25-F35 HydrophobicContact CD1-CZ 4.5Å; I25-F35 HydrophobicContact CG1-CD1 4Å; I25-F35 HydrophobicContact CG1-CE1 3.51Å; I25-F35 HydrophobicContact CG1-CZ 4.48Å; I25-Y81 HydrophobicContact CD1-CD1 4.26Å; I25-Y81 HydrophobicContact CD1-CE1 3.46Å; I25-Y81 VanDerWaalsContact CD1-CE1 3.46Å; I25-Y81 HydrophobicContact CG1-CE1 3.89Å; I25-Y81 HydrophobicContact CG2-CD1 4.28Å; I25-Y81 HydrophobicContact CG2-CE1 4.12Å; I25-L84 HydrophobicContact CD1-CD1 4.45Å; I25-L84 HydrophobicContact CG2-CD1 4.31Å; I25-L108 HydrophobicContact CD1-CD1 3.39Å; I25-L108 HydrophobicContact CD1-CD2 4.09Å; I25-L108 HydrophobicContact CD1-CG 4.35Å
26T92.9Very high84.3Confident105 Ų10549.6 Ų49.664%0.64430%0.297SS*.  trans-124116.3172.8-53.60000108.3
27I92.6Very high84.8Confident27 Ų2750.2 Ų50.214%0.13830%0.3CS..  trans-129.4112.5-180-66.3167.2000107.6I25 T29 L30 L84 E85 E88I25-I27 HydrophobicContact CG2-CD1 3.64Å; I25-I27 HydrophobicContact CG2-CG1 3.82Å; I27-T29 PolarHBondContact O-N 3.11Å; I27-L30 HydrophobicContact CB-CD1 4.21Å; I27-L30 HydrophobicContact CG2-CD1 4.29Å; I27-L30 VanDerWaalsContact O-CB 3.31Å; I27-L30 WeakPolarHBondContact O-CB 3.34Å; I27-L30 WeakPolarHBondContact O-CG 3.23Å; I27-L30 PolarHBondContact O-N 3.39Å; I27-L84 HydrophobicContact CD1-CB 3.48Å; I27-L84 VanDerWaalsContact CD1-CB 3.48Å; I27-L84 HydrophobicContact CD1-CD1 3.87Å; I27-L84 HydrophobicContact CD1-CG 4.32Å; I27-E85 HydrophobicContact CD1-CG 4.47Å; I27-E85 HydrophobicContact CG2-CG 4.07Å; I27-E88 HydrophobicContact CG2-CB 4.12Å; I27-E88 HydrophobicContact CG2-CG 4.34Å
28G91.3Very high84.6Confident64 Ų6451.2 Ų51.266%0.6630%0.304SS*.THydrogen-bonded Turntrans51.1-121.6178.900000112.8
29T90.9Very high84.5Confident124 Ų12450.3 Ų50.376%0.76130%0.299SS*.THydrogen-bonded Turntrans-1003-179.567.40000113.8I27 E88I27-T29 PolarHBondContact O-N 3.11Å; T29-E88 WeakPolarHBondContact CB-OE1 3.37Å; T29-E88 VanDerWaalsContact N-CD 3.28Å; T29-E88 PolarHBondContact N-OE1 3.11Å; T29-E88 PolarHBondContact N-OE2 3.46Å; T29-E88 VanDerWaalsContact OG1-CD 3.3Å; T29-E88 PolarHBondContact OG1-OE1 3.29Å; T29-E88 PolarHBondContact OG1-OE2 3.33Å; T29-E88 VanDerWaalsContact OG1-OE2 3.11Å
30L92.1Very high84.2Confident11 Ų1144.5 Ų44.56%0.05827%0.267CS..SBendtrans-59.6147.5174.4-62.6-172.1000110.7I27 L84 E88 L112 R116I27-L30 HydrophobicContact CB-CD1 4.21Å; I27-L30 HydrophobicContact CG2-CD1 4.29Å; I27-L30 VanDerWaalsContact O-CB 3.31Å; I27-L30 WeakPolarHBondContact O-CB 3.34Å; I27-L30 WeakPolarHBondContact O-CG 3.23Å; I27-L30 PolarHBondContact O-N 3.39Å; L30-L84 HydrophobicContact CD1-CB 4.34Å; L30-L84 WeakPolarHBondContact CD1-O 3.39Å; L30-E88 HydrophobicContact CD1-CB 4.07Å; L30-E88 HydrophobicContact CD2-CB 4.04Å; L30-E88 WeakPolarHBondContact CD2-OE2 3.23Å; L30-E88 HydrophobicContact CG-CB 3.84Å; L30-E88 HydrophobicContact CG-CG 4.39Å; L30-E88 VanDerWaalsContact CG-OE2 3.22Å; L30-E88 WeakPolarHBondContact CG-OE2 3.24Å; L30-E88 PolarHBondContact N-OE2 2.6Å; L30-L112 HydrophobicContact CB-CD1 4.38Å; L30-L112 HydrophobicContact CD1-CD1 4.14Å; L30-L112 HydrophobicContact CD1-CD2 4.16Å; L30-L112 HydrophobicContact CD2-CD1 4.09Å; L30-L112 HydrophobicContact CG-CD1 4.45Å; L30-R116 VanDerWaalsContact CD2-NH1 3.25Å
31P91.9Very high83.7Confident38 Ų3844 Ų4425%0.24726%0.26CS..PPolyproline II helixtrans-58142.9169.426.7-34.3000109.6L33 L112 K115 R116P31-L33 PolarHBondContact O-N 3.04Å; P31-L112 HydrophobicContact CG-CD1 4.07Å; P31-K115 HydrophobicContact CB-CB 4.34Å; P31-K115 HydrophobicContact CB-CD 3.83Å; P31-K115 HydrophobicContact CG-CB 3.86Å; P31-K115 HydrophobicContact CG-CD 4.07Å; P31-R116 HydrophobicContact CG-CG 4.27Å
32P93.4Very high82.9Confident34 Ų3444.6 Ų44.622%0.22126%0.258CS..PPolyproline II helixtrans-58.6136.8176.925.8-33.9000109.4T24 K115T24-P32 HydrophobicContact CG2-CB 3.84Å; P32-K115 PolarHBondContact O-NZ 3.21Å
33L93.8Very high81.7Confident3 Ų349.6 Ų49.62%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-110117.8177.4-54.2176.7000108.7T24 I25 P31 L84 L108 I111 L112 K115T24-L33 CarbonylContact C-O 3.55Å; T24-L33 WeakPolarHBondContact CA-O 3.32Å; I25-L33 HydrophobicContact CB-CB 4.32Å; I25-L33 PolarHBondContact N-O 3.23Å; I25-L33 PolarHBondContact O-N 2.7Å; P31-L33 PolarHBondContact O-N 3.04Å; L33-L84 HydrophobicContact CD1-CD1 3.94Å; L33-L84 HydrophobicContact CD1-CD2 3.68Å; L33-L84 HydrophobicContact CD1-CG 4.5Å; L33-L108 HydrophobicContact CB-CD2 3.92Å; L33-L108 HydrophobicContact CD1-CD2 4.41Å; L33-I111 HydrophobicContact CD2-CG2 3.99Å; L33-L112 HydrophobicContact CD1-CB 4.21Å; L33-L112 HydrophobicContact CD2-CB 4.22Å; L33-L112 HydrophobicContact CD2-CD1 4.41Å; L33-K115 HydrophobicContact CD2-CD 4.38Å
34H91.4Very high80.1Confident34 Ų3446.2 Ų46.216%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-95.4141.2179-56.6-69.2000110.6E23 T24 L141 N142 E145E23-H34 CarbonylContact O-C 3.52Å; E23-H34 WeakPolarHBondContact O-CA 3.46Å; T24-H34 PolarHBondContact OG1-CE1 3.39Å; T24-H34 PolarHBondContact OG1-ND1 2.95Å; H34-L141 HydrophobicContact CB-CD2 3.41Å; H34-L141 VanDerWaalsContact CB-CD2 3.41Å; H34-L141 HydrophobicContact CB-CG 3.68Å; H34-N142 PolarHBondContact N-OD1 3.36Å; H34-N142 PolarHBondContact O-ND2 2.81Å; H34-E145 IonicContact CD2-OE2 3.5Å; H34-E145 PolarHBondContact CD2-OE2 2.99Å; H34-E145 VanDerWaalsContact NE2-CD 3.25Å; H34-E145 IonicContact NE2-OE1 2.74Å; H34-E145 IonicContact NE2-OE2 3.59Å; H34-E145 PolarHBondContact NE2-OE2 3.32Å
35F89.9Confident78.3Confident10 Ų1043.3 Ų43.34%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-150.6154.8175.768.7-73.8000111.4F22 E23 I25 N37 V76 L108 N138F22-F35 CarbonylContact C-O 3.59Å; F22-F35 WeakPolarHBondContact CA-O 3.26Å; E23-F35 HydrophobicContact CB-CD1 4.01Å; E23-F35 HydrophobicContact CB-CE1 3.37Å; E23-F35 HydrophobicContact CB-CE2 4.1Å; E23-F35 HydrophobicContact CB-CZ 3.43Å; E23-F35 VanDerWaalsContact CB-CZ 3.43Å; E23-F35 HydrophobicContact CG-CZ 4.2Å; E23-F35 PolarHBondContact N-O 3.28Å; E23-F35 PolarHBondContact O-N 3.12Å; I25-F35 HydrophobicContact CD1-CD1 4.03Å; I25-F35 HydrophobicContact CD1-CE1 3.74Å; I25-F35 HydrophobicContact CD1-CZ 4.5Å; I25-F35 HydrophobicContact CG1-CD1 4Å; I25-F35 HydrophobicContact CG1-CE1 3.51Å; I25-F35 HydrophobicContact CG1-CZ 4.48Å; F35-N37 PolarHBondContact O-N 3.21Å; F35-V76 HydrophobicContact CD2-CG2 3.74Å; F35-V76 HydrophobicContact CE2-CG2 3.59Å; F35-V76 HydrophobicContact CG-CG2 4.5Å; F35-V76 HydrophobicContact CZ-CG2 4.23Å; F35-L108 HydrophobicContact CB-CD2 4.02Å; F35-L108 HydrophobicContact CD1-CD2 4.23Å; F35-L108 HydrophobicContact CG-CD2 4.3Å; F35-N138 WeakPolarHBondContact CA-OD1 3.38Å
36L85.4Confident76.2Confident6 Ų647.7 Ų47.73%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-66128.2172.9-74.8167.5000110.3F22 V40 L134 P137 N138F22-L36 HydrophobicContact CD1-CD2 3.65Å; F22-L36 HydrophobicContact CD1-CG 4.21Å; F22-L36 HydrophobicContact CE1-CD2 3.28Å; F22-L36 HydrophobicContact CE1-CG 4.02Å; F22-L36 HydrophobicContact CZ-CD2 4.13Å; L36-V40 HydrophobicContact CD2-CG1 4.29Å; L36-L134 HydrophobicContact CB-CD1 3.93Å; L36-L134 HydrophobicContact CD1-CD1 4.44Å; L36-P137 HydrophobicContact CD1-CB 3.57Å; L36-P137 HydrophobicContact CD1-CG 4.07Å; L36-N138 PolarHBondContact N-OD1 2.98Å
37N76.2Confident74.2Confident32 Ų3249.4 Ų49.417%0.17128%0.275CS..  trans-63.5140.7171179-75.5000109.6V21 E23 F35 T39 V40V21-N37 HydrophobicContact CB-CB 4.22Å; V21-N37 HydrophobicContact CG1-CB 4.13Å; V21-N37 WeakPolarHBondContact O-CB 3.33Å; V21-N37 PolarHBondContact O-N 3.17Å; E23-N37 HydrophobicContact CG-CB 4.2Å; E23-N37 WeakPolarHBondContact OE1-CB 3.49Å; E23-N37 PolarHBondContact OE1-ND2 3.01Å; F35-N37 PolarHBondContact O-N 3.21Å; N37-T39 PolarHBondContact O-N 2.81Å; N37-T39 VanDerWaalsContact O-N 3.15Å; N37-T39 VanDerWaalsContact OD1-CB 3.28Å; N37-T39 WeakPolarHBondContact OD1-CB 3.35Å; N37-T39 WeakPolarHBondContact OD1-CG2 3.07Å; N37-T39 PolarHBondContact OD1-N 3.46Å; N37-T39 PolarHBondContact OD1-OG1 3.28Å; N37-V40 HydrophobicContact CB-CG2 4.22Å; N37-V40 VanDerWaalsContact O-CB 3.31Å; N37-V40 WeakPolarHBondContact O-CB 3.3Å; N37-V40 WeakPolarHBondContact O-CG2 3.33Å; N37-V40 PolarHBondContact O-N 3.3Å
38E66.9Low72.5Confident46 Ų4649.2 Ų49.222%0.21527%0.273CS..Hα-helixtrans-53-36.9-178.4-179.4166.7-14900113.9V40 F41 E42 R58E38-V40 PolarHBondContact O-N 2.92Å; E38-F41 PolarHBondContact O-N 2.83Å; E38-E42 PolarHBondContact O-N 2.84Å; E38-R58 IonicContact OE1-CZ 2.74Å; E38-R58 IonicContact OE1-NH1 2.81Å; E38-R58 PolarHBondContact OE1-NH1 2.86Å; E38-R58 IonicContact OE1-NH2 3.21Å; E38-R58 PolarHBondContact OE1-NH2 2.92Å; E38-R58 IonicContact OE2-NH2 2.85Å
39T63.5Low70.8Confident54 Ų5452.3 Ų52.333%0.33127%0.27SS..Hα-helixtrans-67.6-19.5-178.765.90000113.5N37 R43N37-T39 PolarHBondContact O-N 2.81Å; N37-T39 VanDerWaalsContact O-N 3.15Å; N37-T39 VanDerWaalsContact OD1-CB 3.28Å; N37-T39 WeakPolarHBondContact OD1-CB 3.35Å; N37-T39 WeakPolarHBondContact OD1-CG2 3.07Å; N37-T39 PolarHBondContact OD1-N 3.46Å; N37-T39 PolarHBondContact OD1-OG1 3.28Å; T39-R43 VanDerWaalsContact O-CG 3.3Å; T39-R43 WeakPolarHBondContact O-CG 3.25Å; T39-R43 PolarHBondContact O-N 2.91Å; T39-R43 VanDerWaalsContact O-N 3.16Å
40V60.4Low69.4Low4 Ų447.8 Ų47.82%0.02424%0.242CC..Hα-helixtrans-71.2-41.5176.4-178.30000110.3V21 L36 N37 E38 E42 R43 T44V21-V40 HydrophobicContact CB-CG2 3.44Å; V21-V40 VanDerWaalsContact CB-CG2 3.44Å; V21-V40 HydrophobicContact CG2-CG2 3.94Å; V21-V40 WeakPolarHBondContact O-CG2 3.44Å; L36-V40 HydrophobicContact CD2-CG1 4.29Å; N37-V40 HydrophobicContact CB-CG2 4.22Å; N37-V40 VanDerWaalsContact O-CB 3.31Å; N37-V40 WeakPolarHBondContact O-CB 3.3Å; N37-V40 WeakPolarHBondContact O-CG2 3.33Å; N37-V40 PolarHBondContact O-N 3.3Å; E38-V40 PolarHBondContact O-N 2.92Å; V40-E42 VanDerWaalsContact C-N 3.28Å; V40-E42 PolarHBondContact O-N 2.96Å; V40-R43 PolarHBondContact O-N 2.99Å; V40-T44 HydrophobicContact CG1-CG2 3.94Å; V40-T44 WeakPolarHBondContact O-CB 3.01Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 2.59Å; V40-T44 PolarHBondContact O-OG1 3.05Å
41F57.7Low68.1Low8 Ų856.4 Ų56.44%0.03527%0.273CS..Hα-helixtrans-63.3-41.1178.2-173.5-93.9000110.1E38 R43 A45 I54 L55 L74 T129 Q133E38-F41 PolarHBondContact O-N 2.83Å; F41-R43 VanDerWaalsContact C-N 3.32Å; F41-R43 PolarHBondContact O-N 3.48Å; F41-A45 WeakPolarHBondContact O-CB 3.12Å; F41-A45 PolarHBondContact O-N 2.9Å; F41-A45 VanDerWaalsContact O-N 3.09Å; F41-I54 HydrophobicContact CE1-CG2 4.49Å; F41-L55 HydrophobicContact CD1-CD1 4.2Å; F41-L55 HydrophobicContact CD1-CD2 3.71Å; F41-L55 HydrophobicContact CD1-CG 4.07Å; F41-L55 HydrophobicContact CE1-CD1 4.03Å; F41-L55 HydrophobicContact CE1-CD2 3.75Å; F41-L55 HydrophobicContact CE1-CG 3.68Å; F41-L74 HydrophobicContact CB-CD2 4.22Å; F41-L74 HydrophobicContact CD1-CD1 3.34Å; F41-L74 HydrophobicContact CD1-CD2 3.37Å; F41-L74 HydrophobicContact CD1-CG 3.95Å; F41-L74 HydrophobicContact CD2-CD2 3.83Å; F41-L74 HydrophobicContact CE1-CD1 3.42Å; F41-L74 VanDerWaalsContact CE1-CD1 3.42Å; F41-L74 HydrophobicContact CE1-CD2 3.56Å; F41-L74 HydrophobicContact CE1-CG 4.11Å; F41-L74 HydrophobicContact CE2-CD2 4.02Å; F41-L74 HydrophobicContact CG-CD1 4.29Å; F41-L74 HydrophobicContact CG-CD2 3.51Å; F41-L74 HydrophobicContact CG-CG 4.49Å; F41-L74 HydrophobicContact CZ-CD1 4.43Å; F41-L74 HydrophobicContact CZ-CD2 3.9Å; F41-T129 HydrophobicContact CE2-CG2 3.86Å; F41-T129 HydrophobicContact CZ-CG2 3.54Å; F41-Q133 HydrophobicContact CD2-CB 4.17Å; F41-Q133 HydrophobicContact CE2-CB 3.68Å; F41-Q133 HydrophobicContact CE2-CG 4.41Å; F41-Q133 VanDerWaalsContact CE2-OE1 3.28Å
42E59Low66.9Low88 Ų8856.7 Ų56.741%0.41127%0.271SS..Hα-helixtrans-61.2-37.7175.4-63.4177.5164.200113E38 V40 L55 R58E38-E42 PolarHBondContact O-N 2.84Å; V40-E42 VanDerWaalsContact C-N 3.28Å; V40-E42 PolarHBondContact O-N 2.96Å; E42-L55 HydrophobicContact CG-CD2 4.02Å; E42-R58 IonicContact OE1-CZ 3.87Å; E42-R58 IonicContact OE1-NH1 2.68Å; E42-R58 PolarHBondContact OE1-NH1 3.33Å
43R57.4Low65.6Low185 Ų18561.3 Ų61.370%0.69829%0.288SS*.Hα-helixtrans-80.9-43.9-178.4-70.7174.1-178.9-170.91.8113.2T39 V40 F41 S46T39-R43 VanDerWaalsContact O-CG 3.3Å; T39-R43 WeakPolarHBondContact O-CG 3.25Å; T39-R43 PolarHBondContact O-N 2.91Å; T39-R43 VanDerWaalsContact O-N 3.16Å; V40-R43 PolarHBondContact O-N 2.99Å; F41-R43 VanDerWaalsContact C-N 3.32Å; F41-R43 PolarHBondContact O-N 3.48Å; R43-S46 PolarHBondContact O-OG 2.88Å
44T53.5Low64.3Low9 Ų961.3 Ų61.36%0.05529%0.288CS..Hα-helixtrans-84.7-14.9-173.158.90000113.4V40 S46 E47 R48V40-T44 HydrophobicContact CG1-CG2 3.94Å; V40-T44 WeakPolarHBondContact O-CB 3.01Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 2.59Å; V40-T44 PolarHBondContact O-OG1 3.05Å; T44-S46 PolarHBondContact O-N 3.42Å; T44-E47 CarbonylContact O-C 3.31Å; T44-E47 WeakPolarHBondContact O-CA 3.49Å; T44-E47 WeakPolarHBondContact O-CB 3.36Å; T44-E47 PolarHBondContact O-N 3.49Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 2.67Å
45A51.7Low62.9Low13 Ų1360.7 Ų60.711%0.10729%0.286CS..THydrogen-bonded Turntrans-73.4-8.6177.600000115.2F41 L55F41-A45 WeakPolarHBondContact O-CB 3.12Å; F41-A45 PolarHBondContact O-N 2.9Å; F41-A45 VanDerWaalsContact O-N 3.09Å; A45-L55 HydrophobicContact CB-CD1 3Å; A45-L55 HydrophobicContact CB-CG 4.23Å
46S48.2Very low61.3Low107 Ų10762.1 Ų62.175%0.74830%0.297SS*.THydrogen-bonded Turntrans-70.1-22.9162.764.40000111.9R43 T44R43-S46 PolarHBondContact O-OG 2.88Å; T44-S46 PolarHBondContact O-N 3.42Å
47E50.7Low60.2Low140 Ų14063.9 Ų63.965%0.65431%0.305SS*.THydrogen-bonded Turntrans-103.7-21.8-179.6-56.4178160.500112.6T44T44-E47 CarbonylContact O-C 3.31Å; T44-E47 WeakPolarHBondContact O-CA 3.49Å; T44-E47 WeakPolarHBondContact O-CB 3.36Å; T44-E47 PolarHBondContact O-N 3.49Å
48R58.1Low59.4Low23 Ų2364 Ų649%0.08730%0.303CS..THydrogen-bonded Turntrans-100.3140.4175.8-59.8175.3-177.1-163.6-0110.4L16 T44 D50L16-R48 VanDerWaalsContact C-NH2 3.3Å; L16-R48 PolarHBondContact O-NH1 3.13Å; L16-R48 PolarHBondContact O-NH2 3.24Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 2.67Å; R48-D50 PolarHBondContact O-N 3.27Å
49E55.3Low58.9Low130 Ų13069.6 Ų69.661%0.60733%0.329SS*.THydrogen-bonded Turntrans-70.591.9-177.4-156.1-176.8-172.800111.1R51 Q133E49-R51 HydrophobicContact CB-CG 4.44Å; E49-R51 HydrophobicContact CG-CG 3.79Å; E49-R51 PolarHBondContact O-N 3Å; E49-R51 IonicContact OE1-NE 3.98Å; E49-R51 PolarHBondContact OE1-NE 3.21Å; E49-R51 IonicContact OE1-NH2 3.77Å; E49-R51 IonicContact OE2-CZ 2.72Å; E49-R51 IonicContact OE2-NE 2.74Å; E49-R51 PolarHBondContact OE2-NE 2.98Å; E49-R51 IonicContact OE2-NH2 3.68Å; E49-R51 PolarHBondContact OE2-NH2 3.45Å; E49-Q133 PolarHBondContact O-NE2 3.46Å
50D61.2Low58.5Low29 Ų2974 Ų7416%0.15535%0.346CS..  trans-76.471.6171.9-176.114000110.8R48 E52 K53 I54 L55R48-D50 PolarHBondContact O-N 3.27Å; D50-E52 PolarHBondContact O-N 2.72Å; D50-E52 VanDerWaalsContact O-N 3.16Å; D50-K53 PolarHBondContact O-N 3.36Å; D50-K53 PolarHBondContact OD1-N 3.37Å; D50-K53 WeakPolarHBondContact OD2-CA 3.3Å; D50-I54 VanDerWaalsContact CG-N 3.31Å; D50-I54 PolarHBondContact OD1-N 3.27Å; D50-I54 VanDerWaalsContact OD1-N 3.12Å; D50-I54 PolarHBondContact OD2-N 3.27Å; D50-L55 PolarHBondContact OD2-N 3.44Å
51R64.2Low58.2Low192 Ų19279.5 Ų79.573%0.72537%0.369SS*.THydrogen-bonded Turntrans-58.3-28.4-179.3-65.7-175.3178.3-173.20.4113.1E49 K53E49-R51 HydrophobicContact CB-CG 4.44Å; E49-R51 HydrophobicContact CG-CG 3.79Å; E49-R51 PolarHBondContact O-N 3Å; E49-R51 IonicContact OE1-NE 3.98Å; E49-R51 PolarHBondContact OE1-NE 3.21Å; E49-R51 IonicContact OE1-NH2 3.77Å; E49-R51 IonicContact OE2-CZ 2.72Å; E49-R51 IonicContact OE2-NE 2.74Å; E49-R51 PolarHBondContact OE2-NE 2.98Å; E49-R51 IonicContact OE2-NH2 3.68Å; E49-R51 PolarHBondContact OE2-NH2 3.45Å; R51-K53 VanDerWaalsContact C-N 3.32Å
52E67.8Low58.1Low44 Ų4486.7 Ų86.721%0.20641%0.408CS..THydrogen-bonded Turntrans-89.1-2.6-178.8-59.9-173.9150.800112.3K2 D50 I54 N127 S128 T129K2-E52 WeakPolarHBondContact CE-OE1 3.45Å; K2-E52 IonicContact NZ-OE1 2.84Å; K2-E52 PolarHBondContact NZ-OE1 3.21Å; K2-E52 IonicContact NZ-OE2 3.08Å; K2-E52 PolarHBondContact NZ-OE2 2.87Å; D50-E52 PolarHBondContact O-N 2.72Å; D50-E52 VanDerWaalsContact O-N 3.16Å; E52-I54 HydrophobicContact CB-CD1 4.37Å; E52-I54 HydrophobicContact CB-CG1 3.95Å; E52-I54 PolarHBondContact O-N 3.14Å; E52-N127 WeakPolarHBondContact OE2-CA 3.49Å; E52-N127 WeakPolarHBondContact OE2-CB 3.28Å; E52-S128 WeakPolarHBondContact OE1-CB 3.43Å; E52-S128 PolarHBondContact OE1-N 2.92Å; E52-S128 PolarHBondContact OE1-OG 2.9Å; E52-S128 PolarHBondContact OE2-N 2.96Å; E52-T129 PolarHBondContact OE2-N 2.81Å; E52-T129 PolarHBondContact OE2-OG1 2.94Å
53K65.5Low57.7Low131 Ų13184.5 Ų84.557%0.5740%0.403SS*.  trans5432.4179-62.7-175179.8-176.20112.7D50 R51 L55 S56 H57D50-K53 PolarHBondContact O-N 3.36Å; D50-K53 PolarHBondContact OD1-N 3.37Å; D50-K53 WeakPolarHBondContact OD2-CA 3.3Å; R51-K53 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.16Å; K53-S56 WeakPolarHBondContact CB-OG 3.36Å; K53-S56 PolarHBondContact O-N 3.11Å; K53-S56 PolarHBondContact O-OG 2.71Å; K53-H57 PolarHBondContact O-N 2.75Å; K53-H57 VanDerWaalsContact O-N 3.15Å; K53-H57 PolarHBondContact O-ND1 3.44Å
54I66.3Low57.6Low2 Ų277.5 Ų77.51%0.0138%0.379CS..Hα-helixtrans-54.5-42.3-175.7-67.9-176.8000111.1F41 D50 E52 R58 Y70 L74 N127 T129 V130F41-I54 HydrophobicContact CE1-CG2 4.49Å; D50-I54 VanDerWaalsContact CG-N 3.31Å; D50-I54 PolarHBondContact OD1-N 3.27Å; D50-I54 VanDerWaalsContact OD1-N 3.12Å; D50-I54 PolarHBondContact OD2-N 3.27Å; E52-I54 HydrophobicContact CB-CD1 4.37Å; E52-I54 HydrophobicContact CB-CG1 3.95Å; E52-I54 PolarHBondContact O-N 3.14Å; I54-R58 PolarHBondContact O-N 3.22Å; I54-Y70 HydrophobicContact CB-CD2 4.34Å; I54-Y70 HydrophobicContact CD1-CD2 4.16Å; I54-Y70 HydrophobicContact CD1-CE2 4.36Å; I54-Y70 HydrophobicContact CG1-CD2 4.13Å; I54-Y70 HydrophobicContact CG2-CD2 3.47Å; I54-Y70 VanDerWaalsContact CG2-CD2 3.47Å; I54-Y70 HydrophobicContact CG2-CE1 4.47Å; I54-Y70 HydrophobicContact CG2-CE2 3.35Å; I54-Y70 HydrophobicContact CG2-CG 4.12Å; I54-L74 HydrophobicContact CG2-CD1 3.75Å; I54-N127 HydrophobicContact CD1-CB 3.85Å; I54-T129 HydrophobicContact CD1-CG2 4.19Å; I54-V130 HydrophobicContact CD1-CG2 4.24Å
55L61.7Low57.6Low21 Ų2179 Ų7911%0.1139%0.387CS..Hα-helixtrans-71.9-44.8-176.5-72.1178.5000113.5F41 E42 A45 D50 K53 H57 R58 E59 L74F41-L55 HydrophobicContact CD1-CD1 4.2Å; F41-L55 HydrophobicContact CD1-CD2 3.71Å; F41-L55 HydrophobicContact CD1-CG 4.07Å; F41-L55 HydrophobicContact CE1-CD1 4.03Å; F41-L55 HydrophobicContact CE1-CD2 3.75Å; F41-L55 HydrophobicContact CE1-CG 3.68Å; E42-L55 HydrophobicContact CG-CD2 4.02Å; A45-L55 HydrophobicContact CB-CD1 3Å; A45-L55 HydrophobicContact CB-CG 4.23Å; D50-L55 PolarHBondContact OD2-N 3.44Å; K53-L55 PolarHBondContact O-N 3.16Å; L55-H57 PolarHBondContact O-N 3.16Å; L55-R58 WeakPolarHBondContact O-CB 3.47Å; L55-R58 PolarHBondContact O-N 3.2Å; L55-E59 PolarHBondContact O-N 3.38Å; L55-L74 HydrophobicContact CD2-CD1 4.26Å
56S57.1Low57.8Low41 Ų4178.9 Ų78.929%0.28738%0.384SS..Hα-helixtrans-61.7-37.1178.472.30000110.8K53 E60K53-S56 WeakPolarHBondContact CB-OG 3.36Å; K53-S56 PolarHBondContact O-N 3.11Å; K53-S56 PolarHBondContact O-OG 2.71Å; S56-E60 WeakPolarHBondContact O-CB 3.39Å; S56-E60 VanDerWaalsContact O-CG 3.27Å; S56-E60 WeakPolarHBondContact O-CG 3.46Å; S56-E60 PolarHBondContact O-N 3.2Å
57H60.9Low57.9Low43 Ų4377.2 Ų77.220%0.19937%0.373CS..Hα-helixtrans-67.9-35.9175.6-74.399.2000112.9K53 L55 K61 I66K53-H57 PolarHBondContact O-N 2.75Å; K53-H57 VanDerWaalsContact O-N 3.15Å; K53-H57 PolarHBondContact O-ND1 3.44Å; L55-H57 PolarHBondContact O-N 3.16Å; H57-K61 PolarHBondContact O-N 3.32Å; H57-I66 HydrophobicContact CB-CD1 3.64Å; H57-I66 VanDerWaalsContact O-CD1 3.3Å; H57-I66 WeakPolarHBondContact O-CD1 3.5Å
58R59.4Low57.5Low34 Ų3472.3 Ų72.313%0.12836%0.359CS..Hα-helixtrans-65.5-47.9176-167.7-172.2-171.7-176.48.7111.2E38 E42 I54 L55 K61 N62 D64E38-R58 IonicContact OE1-CZ 2.74Å; E38-R58 IonicContact OE1-NH1 2.81Å; E38-R58 PolarHBondContact OE1-NH1 2.86Å; E38-R58 IonicContact OE1-NH2 3.21Å; E38-R58 PolarHBondContact OE1-NH2 2.92Å; E38-R58 IonicContact OE2-NH2 2.85Å; E42-R58 IonicContact OE1-CZ 3.87Å; E42-R58 IonicContact OE1-NH1 2.68Å; E42-R58 PolarHBondContact OE1-NH1 3.33Å; I54-R58 PolarHBondContact O-N 3.22Å; L55-R58 WeakPolarHBondContact O-CB 3.47Å; L55-R58 PolarHBondContact O-N 3.2Å; R58-K61 PolarHBondContact O-N 3.11Å; R58-N62 WeakPolarHBondContact O-CA 3.46Å; R58-N62 PolarHBondContact O-N 3.31Å; R58-D64 IonicContact CZ-OD1 3.28Å; R58-D64 VanDerWaalsContact CZ-OD1 3.28Å; R58-D64 IonicContact NE-OD1 2.96Å; R58-D64 PolarHBondContact NE-OD1 2.98Å; R58-D64 IonicContact NH2-OD1 3.77Å; R58-D64 PolarHBondContact NH2-OD1 3.49Å; R58-D64 IonicContact NH2-OD2 2.73Å
59E56.8Low57.2Low163 Ų16373.9 Ų73.976%0.76237%0.371SS*.Hα-helixtrans-62.2-42.7178.6-72.2-179166.100112.2L55 K61L55-E59 PolarHBondContact O-N 3.38Å; E59-K61 PolarHBondContact O-N 3.15Å
60E55.8Low57.1Low147 Ų14767.8 Ų67.869%0.68734%0.343SS*.Hα-helixtrans-67.7-34-179-77.7175.3-171.700113.7S56S56-E60 WeakPolarHBondContact O-CB 3.39Å; S56-E60 VanDerWaalsContact O-CG 3.27Å; S56-E60 WeakPolarHBondContact O-CG 3.46Å; S56-E60 PolarHBondContact O-N 3.2Å
61K53Low56.7Low119 Ų11967.6 Ų67.652%0.51734%0.34SS..Hα-helixtrans-108.8-6-172.6-66.8-169.1-177.2174.90114.6H57 R58 E59 S63 I66H57-K61 PolarHBondContact O-N 3.32Å; R58-K61 PolarHBondContact O-N 3.11Å; E59-K61 PolarHBondContact O-N 3.15Å; K61-S63 PolarHBondContact O-N 3.37Å; K61-I66 HydrophobicContact CB-CD1 4.19Å; K61-I66 HydrophobicContact CB-CG1 4.49Å; K61-I66 HydrophobicContact CD-CD1 3.84Å; K61-I66 HydrophobicContact CD-CG1 3.96Å; K61-I66 HydrophobicContact CD-CG2 4.14Å; K61-I66 HydrophobicContact CG-CD1 4.36Å
62N57.5Low56.3Low159 Ų15958.5 Ų58.585%0.8531%0.307SS*.THydrogen-bonded Turntrans43.539.9-175-154.218.3000112.1R58R58-N62 WeakPolarHBondContact O-CA 3.46Å; R58-N62 PolarHBondContact O-N 3.31Å
63S49.5Very low55.5Low42 Ų4256.6 Ų56.629%0.29430%0.299SS..  trans-137.9127.6-172.81790000109.7K61 L65K61-S63 PolarHBondContact O-N 3.37Å; S63-L65 PolarHBondContact O-N 2.87Å; S63-L65 PolarHBondContact OG-N 3.19Å; S63-L65 PolarHBondContact OG-O 3.43Å
64D55.8Low55Low38 Ų3850.6 Ų50.620%0.20327%0.273CS..SBendtrans-74.4-1.1174.9-63.2-32.3000112.6R58 Y70 G72 W77R58-D64 IonicContact CZ-OD1 3.28Å; R58-D64 VanDerWaalsContact CZ-OD1 3.28Å; R58-D64 IonicContact NE-OD1 2.96Å; R58-D64 PolarHBondContact NE-OD1 2.98Å; R58-D64 IonicContact NH2-OD1 3.77Å; R58-D64 PolarHBondContact NH2-OD1 3.49Å; R58-D64 IonicContact NH2-OD2 2.73Å; D64-Y70 VanDerWaalsContact O-CE1 3.25Å; D64-Y70 WeakPolarHBondContact O-CE1 3.22Å; D64-G72 WeakPolarHBondContact O-CA 3.18Å; D64-G72 PolarHBondContact O-N 3.42Å; D64-G72 VanDerWaalsContact O-N 3.13Å; D64-W77 HydrophobicContact CB-CH2 3.87Å; D64-W77 HydrophobicContact CB-CZ2 3.96Å
65L53.8Low55.1Low42 Ų4254.7 Ų54.722%0.2229%0.291CS..  trans-137.1119.5-179.8-91.5135.6000111.3S63 W77 Y210S63-L65 PolarHBondContact O-N 2.87Å; S63-L65 PolarHBondContact OG-N 3.19Å; S63-L65 PolarHBondContact OG-O 3.43Å; L65-W77 HydrophobicContact CD1-CH2 4.22Å; L65-W77 HydrophobicContact CD1-CZ2 4.23Å; L65-Y210 HydrophobicContact CD2-CD1 4.29Å; L65-Y210 HydrophobicContact CD2-CD2 3.71Å; L65-Y210 HydrophobicContact CD2-CE1 3.82Å; L65-Y210 HydrophobicContact CD2-CE2 3.17Å; L65-Y210 HydrophobicContact CD2-CG 4.25Å; L65-Y210 WeakPolarHBondContact CD2-OH 3.39Å
66I55.3Low55.8Low10 Ų1054.7 Ų54.75%0.05129%0.292CS..BIsolated β-bridgetrans-131.199.3174.7-53.9168.1000107.8H57 K61 G68 V69 Y70H57-I66 HydrophobicContact CB-CD1 3.64Å; H57-I66 VanDerWaalsContact O-CD1 3.3Å; H57-I66 WeakPolarHBondContact O-CD1 3.5Å; K61-I66 HydrophobicContact CB-CD1 4.19Å; K61-I66 HydrophobicContact CB-CG1 4.49Å; K61-I66 HydrophobicContact CD-CD1 3.84Å; K61-I66 HydrophobicContact CD-CG1 3.96Å; K61-I66 HydrophobicContact CD-CG2 4.14Å; K61-I66 HydrophobicContact CG-CD1 4.36Å; I66-G68 PolarHBondContact O-N 2.96Å; I66-V69 HydrophobicContact CB-CB 4.32Å; I66-V69 HydrophobicContact CG2-CB 3.83Å; I66-V69 HydrophobicContact CG2-CG2 4.15Å; I66-V69 PolarHBondContact O-N 3.36Å; I66-Y70 CarbonylContact C-O 3.47Å; I66-Y70 VanDerWaalsContact C-O 3.31Å; I66-Y70 WeakPolarHBondContact CA-O 3.11Å; I66-Y70 PolarHBondContact N-O 2.93Å; I66-Y70 CarbonylContact O-C 3.48Å; I66-Y70 PolarHBondContact O-N 3.16Å
67S49.9Very low57Low72 Ų7255.1 Ų55.150%0.50329%0.287SS..THydrogen-bonded Turntrans-53.9127.7-175.8-1640000112.1V69 K71S67-V69 VanDerWaalsContact C-N 3.28Å; S67-V69 PolarHBondContact O-N 3.39Å; S67-K71 PolarHBondContact OG-NZ 3.36Å; S67-K71 VanDerWaalsContact OG-NZ 3.16Å
68G42.4Very low58.3Low36 Ų3658 Ų5837%0.37130%0.301SS..THydrogen-bonded Turntrans84.2-14.2-179.500000115.5I66 Y126I66-G68 PolarHBondContact O-N 2.96Å; G68-Y126 PolarHBondContact O-OH 3.31Å
69V52.9Low59.9Low56 Ų5656.4 Ų56.434%0.33929%0.294SS..THydrogen-bonded Turntrans-118.1-54.4-175.6-177.80000111.3I66 S67 N127I66-V69 HydrophobicContact CB-CB 4.32Å; I66-V69 HydrophobicContact CG2-CB 3.83Å; I66-V69 HydrophobicContact CG2-CG2 4.15Å; I66-V69 PolarHBondContact O-N 3.36Å; S67-V69 VanDerWaalsContact C-N 3.28Å; S67-V69 PolarHBondContact O-N 3.39Å; V69-N127 PolarHBondContact O-OD1 2.87Å
70Y51.6Low61.8Low2 Ų249.4 Ų49.41%0.00826%0.263CS..BIsolated β-bridgetrans-140.3117.4-178.3173.8-120.6000109.1I54 D64 I66 G72 L74I54-Y70 HydrophobicContact CB-CD2 4.34Å; I54-Y70 HydrophobicContact CD1-CD2 4.16Å; I54-Y70 HydrophobicContact CD1-CE2 4.36Å; I54-Y70 HydrophobicContact CG1-CD2 4.13Å; I54-Y70 HydrophobicContact CG2-CD2 3.47Å; I54-Y70 VanDerWaalsContact CG2-CD2 3.47Å; I54-Y70 HydrophobicContact CG2-CE1 4.47Å; I54-Y70 HydrophobicContact CG2-CE2 3.35Å; I54-Y70 HydrophobicContact CG2-CG 4.12Å; D64-Y70 VanDerWaalsContact O-CE1 3.25Å; D64-Y70 WeakPolarHBondContact O-CE1 3.22Å; I66-Y70 CarbonylContact C-O 3.47Å; I66-Y70 VanDerWaalsContact C-O 3.31Å; I66-Y70 WeakPolarHBondContact CA-O 3.11Å; I66-Y70 PolarHBondContact N-O 2.93Å; I66-Y70 CarbonylContact O-C 3.48Å; I66-Y70 PolarHBondContact O-N 3.16Å; Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 WeakPolarHBondContact CE2-O 3.4Å; Y70-L74 HydrophobicContact CE2-CG 4.43Å; Y70-L74 WeakPolarHBondContact OH-CB 3.41Å; Y70-L74 WeakPolarHBondContact OH-CG 3.48Å; Y70-L74 PolarHBondContact OH-N 3.33Å
71K53.3Low63.6Low25 Ų2545.8 Ų45.811%0.10924%0.244CC..  trans-96.619.4-172.9-68.5-79.4172.3-176.60113S67 Y126 Y210 Y214S67-K71 PolarHBondContact OG-NZ 3.36Å; S67-K71 VanDerWaalsContact OG-NZ 3.16Å; K71-Y126 HydrophobicContact CB-CD1 4.23Å; K71-Y126 HydrophobicContact CB-CG 4.23Å; K71-Y126 HydrophobicContact CG-CD1 3.61Å; K71-Y126 HydrophobicContact CG-CD2 4.19Å; K71-Y126 HydrophobicContact CG-CE1 4.14Å; K71-Y126 HydrophobicContact CG-CG 3.64Å; K71-Y210 WeakPolarHBondContact CD-OH 3.49Å; K71-Y214 WeakPolarHBondContact CE-OH 3.5Å; K71-Y214 PolarHBondContact NZ-OH 3.19Å
72G56.4Low65.6Low2 Ų240.4 Ų40.42%0.02122%0.221CC..  trans79179.7-161.400000111.2D64 Y70 N127D64-G72 WeakPolarHBondContact O-CA 3.18Å; D64-G72 PolarHBondContact O-N 3.42Å; D64-G72 VanDerWaalsContact O-N 3.13Å; Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 WeakPolarHBondContact CE2-O 3.4Å; G72-N127 PolarHBondContact O-ND2 3.07Å
73G50.3Low67.5Low4 Ų432.9 Ų32.94%0.04118%0.18CC..  trans143.7-25.7172.700000114.5G105 L134G73-G105 WeakPolarHBondContact O-CA 3.32Å; G73-L134 WeakPolarHBondContact O-CD2 3.35Å
74L55.9Low69.7Low5 Ų530.9 Ų30.93%0.02617%0.166CC..SBendtrans-81-23.6-178.7-62.1173.7000114.1F41 I54 L55 Y70 L134F41-L74 HydrophobicContact CB-CD2 4.22Å; F41-L74 HydrophobicContact CD1-CD1 3.34Å; F41-L74 HydrophobicContact CD1-CD2 3.37Å; F41-L74 HydrophobicContact CD1-CG 3.95Å; F41-L74 HydrophobicContact CD2-CD2 3.83Å; F41-L74 HydrophobicContact CE1-CD1 3.42Å; F41-L74 VanDerWaalsContact CE1-CD1 3.42Å; F41-L74 HydrophobicContact CE1-CD2 3.56Å; F41-L74 HydrophobicContact CE1-CG 4.11Å; F41-L74 HydrophobicContact CE2-CD2 4.02Å; F41-L74 HydrophobicContact CG-CD1 4.29Å; F41-L74 HydrophobicContact CG-CD2 3.51Å; F41-L74 HydrophobicContact CG-CG 4.49Å; F41-L74 HydrophobicContact CZ-CD1 4.43Å; F41-L74 HydrophobicContact CZ-CD2 3.9Å; I54-L74 HydrophobicContact CG2-CD1 3.75Å; L55-L74 HydrophobicContact CD2-CD1 4.26Å; Y70-L74 HydrophobicContact CE2-CG 4.43Å; Y70-L74 WeakPolarHBondContact OH-CB 3.41Å; Y70-L74 WeakPolarHBondContact OH-CG 3.48Å; Y70-L74 PolarHBondContact OH-N 3.33Å; L74-L134 HydrophobicContact CD2-CD2 4.35Å
75K67.8Low71.6Confident88 Ų8834 Ų3438%0.38318%0.18SC..SBendtrans-96.8137.2175.5-170.3175.3179.1175.50110.4W77K75-W77 PolarHBondContact O-N 2.99Å
76V77.3Confident73.5Confident21 Ų2132.4 Ų32.413%0.12717%0.171CC..  trans-76.1112.3163.5-174.80000108.3F35 T80 Y81 A106 L108F35-V76 HydrophobicContact CD2-CG2 3.74Å; F35-V76 HydrophobicContact CE2-CG2 3.59Å; F35-V76 HydrophobicContact CG-CG2 4.5Å; F35-V76 HydrophobicContact CZ-CG2 4.23Å; V76-T80 HydrophobicContact CG1-CG2 4.16Å; V76-Y81 HydrophobicContact CB-CE2 4.15Å; V76-Y81 HydrophobicContact CG1-CD2 4.21Å; V76-Y81 HydrophobicContact CG1-CE2 3.42Å; V76-Y81 VanDerWaalsContact CG1-CE2 3.42Å; V76-A106 HydrophobicContact CG2-CB 3.8Å; V76-L108 HydrophobicContact CB-CD1 4.27Å; V76-L108 HydrophobicContact CG1-CD1 3.51Å; V76-L108 HydrophobicContact CG2-CD1 3.7Å
77W81.8Confident75.4Confident49 Ų4931.9 Ų31.919%0.18617%0.169CC..  trans-74.8147179.4-67.6101.7000112.1D64 L65 K75 C79 T80 E207D64-W77 HydrophobicContact CB-CH2 3.87Å; D64-W77 HydrophobicContact CB-CZ2 3.96Å; L65-W77 HydrophobicContact CD1-CH2 4.22Å; L65-W77 HydrophobicContact CD1-CZ2 4.23Å; K75-W77 PolarHBondContact O-N 2.99Å; W77-C79 VanDerWaalsContact C-N 3.26Å; W77-C79 PolarHBondContact O-N 3.42Å; W77-T80 WeakPolarHBondContact O-CB 3.14Å; W77-T80 PolarHBondContact O-N 3.07Å; W77-T80 PolarHBondContact O-OG1 3.41Å; W77-E207 HydrophobicContact CB-CG 3.9Å; W77-E207 WeakPolarHBondContact CB-OE1 3.39Å; W77-E207 HydrophobicContact CG-CB 4.45Å; W77-E207 HydrophobicContact CG-CG 4.26Å
78E88.1Confident77.5Confident104 Ų10430.3 Ų30.349%0.48615%0.153SC..Hα-helixtrans-53.9-41.3-176.9-65.4168.7110.600112.3T80 Y81 D82 R274E78-T80 PolarHBondContact O-N 2.91Å; E78-Y81 WeakPolarHBondContact O-CB 3.28Å; E78-Y81 PolarHBondContact O-N 2.88Å; E78-D82 PolarHBondContact O-N 3.16Å; E78-R274 IonicContact OE1-NH1 3.88Å
79C93.1Very high79.8Confident0 Ų036.5 Ų36.50%017%0.17CC..Hα-helixtrans-59-21.9177.4-670000114W77 D82 I83 S206 E207 A235 T236W77-C79 VanDerWaalsContact C-N 3.26Å; W77-C79 PolarHBondContact O-N 3.42Å; C79-D82 WeakPolarHBondContact CA-OD2 3.48Å; C79-D82 PolarHBondContact O-N 3.35Å; C79-I83 PolarHBondContact O-N 2.93Å; C79-S206 VanDerWaalsContact C-OG 3.29Å; C79-S206 WeakPolarHBondContact CB-OG 3.41Å; C79-E207 HydrophobicContact CB-CG 3.54Å; C79-E207 VanDerWaalsContact SG-CG 3.59Å; C79-A235 HydrophobicContact CB-CB 3.68Å; C79-A235 VanDerWaalsContact O-CB 3.27Å; C79-A235 WeakPolarHBondContact O-CB 2.95Å; C79-T236 VanDerWaalsContact SG-C 3.6Å
80T95.4Very high81.5Confident16 Ų1638.3 Ų38.310%0.09818%0.175CC..Hα-helixtrans-66.7-42.5174.4-50.30000110.4V76 W77 E78 D82 I83 L84 L108 L109 S206V76-T80 HydrophobicContact CG1-CG2 4.16Å; W77-T80 WeakPolarHBondContact O-CB 3.14Å; W77-T80 PolarHBondContact O-N 3.07Å; W77-T80 PolarHBondContact O-OG1 3.41Å; E78-T80 PolarHBondContact O-N 2.91Å; T80-D82 VanDerWaalsContact C-N 3.33Å; T80-I83 PolarHBondContact O-N 3.33Å; T80-L84 WeakPolarHBondContact O-CG 3.35Å; T80-L84 PolarHBondContact O-N 2.85Å; T80-L84 VanDerWaalsContact O-N 3.14Å; T80-L108 HydrophobicContact CG2-CB 4.14Å; T80-L108 HydrophobicContact CG2-CD1 4.29Å; T80-L109 HydrophobicContact CG2-CD1 4.44Å; T80-L109 HydrophobicContact CG2-CD2 4.01Å; T80-L109 HydrophobicContact CG2-CG 4Å; T80-S206 PolarHBondContact N-OG 3.02Å; T80-S206 VanDerWaalsContact N-OG 3.12Å; T80-S206 PolarHBondContact OG1-OG 3.44Å
81Y94.3Very high82.8Confident72 Ų7240.1 Ų40.128%0.28219%0.194SC..Hα-helixtrans-65.8-38.8176.6-60.6-90.6000111I25 V76 E78 I83 L84 E85I25-Y81 HydrophobicContact CD1-CD1 4.26Å; I25-Y81 HydrophobicContact CD1-CE1 3.46Å; I25-Y81 VanDerWaalsContact CD1-CE1 3.46Å; I25-Y81 HydrophobicContact CG1-CE1 3.89Å; I25-Y81 HydrophobicContact CG2-CD1 4.28Å; I25-Y81 HydrophobicContact CG2-CE1 4.12Å; V76-Y81 HydrophobicContact CB-CE2 4.15Å; V76-Y81 HydrophobicContact CG1-CD2 4.21Å; V76-Y81 HydrophobicContact CG1-CE2 3.42Å; V76-Y81 VanDerWaalsContact CG1-CE2 3.42Å; E78-Y81 WeakPolarHBondContact O-CB 3.28Å; E78-Y81 PolarHBondContact O-N 2.88Å; Y81-I83 VanDerWaalsContact C-N 3.31Å; Y81-I83 PolarHBondContact O-N 3.07Å; Y81-L84 WeakPolarHBondContact O-CB 3.31Å; Y81-L84 PolarHBondContact O-N 2.8Å; Y81-L84 VanDerWaalsContact O-N 3.07Å; Y81-E85 WeakPolarHBondContact O-CG 3.28Å; Y81-E85 PolarHBondContact O-N 2.94Å
82D95.7Very high83.8Confident6 Ų640.5 Ų40.53%0.03220%0.196CC..Hα-helixtrans-58.6-42.1176.7-56.6-29.9000111.4E78 C79 T80 E85 I86 W266 R274 V276E78-D82 PolarHBondContact O-N 3.16Å; C79-D82 WeakPolarHBondContact CA-OD2 3.48Å; C79-D82 PolarHBondContact O-N 3.35Å; T80-D82 VanDerWaalsContact C-N 3.33Å; D82-E85 PolarHBondContact O-N 2.77Å; D82-I86 WeakPolarHBondContact O-CG1 3.36Å; D82-I86 PolarHBondContact O-N 2.84Å; D82-I86 VanDerWaalsContact O-N 3.13Å; D82-W266 HydrophobicContact CB-CE3 4.45Å; D82-W266 HydrophobicContact CB-CZ3 4.08Å; D82-R274 IonicContact OD1-CZ 2.98Å; D82-R274 IonicContact OD1-NE 3.99Å; D82-R274 PolarHBondContact OD1-NE 3.24Å; D82-R274 IonicContact OD1-NH2 2.67Å; D82-R274 PolarHBondContact OD1-NH2 2.54Å; D82-R274 WeakPolarHBondContact OD2-CD 3.47Å; D82-R274 IonicContact OD2-CZ 2.94Å; D82-R274 IonicContact OD2-NE 2.94Å; D82-R274 PolarHBondContact OD2-NE 2.96Å; D82-R274 IonicContact OD2-NH2 3.14Å; D82-V276 HydrophobicContact CB-CG2 3.71Å
83I96.4Very high84.7Confident0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-65-44.2174.1-63.3179.3000110.9C79 T80 Y81 E85 I86 M87 L109 F204 A235 V276C79-I83 PolarHBondContact O-N 2.93Å; T80-I83 PolarHBondContact O-N 3.33Å; Y81-I83 VanDerWaalsContact C-N 3.31Å; Y81-I83 PolarHBondContact O-N 3.07Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 2.88Å; I83-I86 PolarHBondContact O-N 2.86Å; I83-I86 VanDerWaalsContact O-N 3.16Å; I83-M87 HydrophobicContact CG2-CG 4.06Å; I83-M87 VanDerWaalsContact O-CG 3.28Å; I83-M87 WeakPolarHBondContact O-CG 3.35Å; I83-M87 PolarHBondContact O-N 2.91Å; I83-L109 HydrophobicContact CB-CD1 4.41Å; I83-L109 HydrophobicContact CB-CD2 3.87Å; I83-L109 HydrophobicContact CD1-CD1 3.75Å; I83-L109 HydrophobicContact CG2-CD1 4.34Å; I83-L109 HydrophobicContact CG2-CD2 3.72Å; I83-F204 HydrophobicContact CG2-CD1 3.85Å; I83-F204 HydrophobicContact CG2-CE1 3.78Å; I83-A235 HydrophobicContact CD1-CB 3.58Å; I83-A235 HydrophobicContact CG1-CB 3.43Å; I83-A235 VanDerWaalsContact CG1-CB 3.43Å; I83-V276 HydrophobicContact CG1-CG1 4.34Å
84L96.1Very high86.7Confident0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-58.1-43.5178.8-66.2173.2000111.4I25 I27 L30 L33 T80 Y81 I86 M87 E88 L109 L112I25-L84 HydrophobicContact CD1-CD1 4.45Å; I25-L84 HydrophobicContact CG2-CD1 4.31Å; I27-L84 HydrophobicContact CD1-CB 3.48Å; I27-L84 VanDerWaalsContact CD1-CB 3.48Å; I27-L84 HydrophobicContact CD1-CD1 3.87Å; I27-L84 HydrophobicContact CD1-CG 4.32Å; L30-L84 HydrophobicContact CD1-CB 4.34Å; L30-L84 WeakPolarHBondContact CD1-O 3.39Å; L33-L84 HydrophobicContact CD1-CD1 3.94Å; L33-L84 HydrophobicContact CD1-CD2 3.68Å; L33-L84 HydrophobicContact CD1-CG 4.5Å; T80-L84 WeakPolarHBondContact O-CG 3.35Å; T80-L84 PolarHBondContact O-N 2.85Å; T80-L84 VanDerWaalsContact O-N 3.14Å; Y81-L84 WeakPolarHBondContact O-CB 3.31Å; Y81-L84 PolarHBondContact O-N 2.8Å; Y81-L84 VanDerWaalsContact O-N 3.07Å; L84-I86 VanDerWaalsContact C-N 3.35Å; L84-I86 PolarHBondContact O-N 2.86Å; L84-M87 PolarHBondContact O-N 2.83Å; L84-E88 PolarHBondContact O-N 2.94Å; L84-L109 HydrophobicContact CD2-CD2 3.77Å; L84-L109 HydrophobicContact CG-CD2 3.96Å; L84-L112 HydrophobicContact CD2-CB 4.16Å; L84-L112 HydrophobicContact CD2-CD2 3.57Å; L84-L112 HydrophobicContact CD2-CG 4.37Å
85E95.1Very high88.5Confident104 Ų10448.8 Ų48.849%0.48625%0.25SC..Hα-helixtrans-62.6-39.1176.2-71.7-179.4-172.200112.6I27 Y81 D82 I83 E88 K89I27-E85 HydrophobicContact CD1-CG 4.47Å; I27-E85 HydrophobicContact CG2-CG 4.07Å; Y81-E85 WeakPolarHBondContact O-CG 3.28Å; Y81-E85 PolarHBondContact O-N 2.94Å; D82-E85 PolarHBondContact O-N 2.77Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 2.88Å; E85-E88 PolarHBondContact O-N 3.24Å; E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 PolarHBondContact O-N 2.79Å
86I94.5Very high89.7Confident8 Ų846.6 Ų46.64%0.04125%0.252CS..Hα-helixtrans-65.8-43.5174.1-65.1-66.9000111.2D82 I83 L84 E88 K89 E90 L265 W266 V276D82-I86 WeakPolarHBondContact O-CG1 3.36Å; D82-I86 PolarHBondContact O-N 2.84Å; D82-I86 VanDerWaalsContact O-N 3.13Å; I83-I86 PolarHBondContact O-N 2.86Å; I83-I86 VanDerWaalsContact O-N 3.16Å; L84-I86 VanDerWaalsContact C-N 3.35Å; L84-I86 PolarHBondContact O-N 2.86Å; I86-E88 VanDerWaalsContact C-N 3.27Å; I86-E88 PolarHBondContact O-N 2.88Å; I86-K89 PolarHBondContact O-N 2.94Å; I86-E90 HydrophobicContact CG2-CG 4.21Å; I86-E90 WeakPolarHBondContact O-CB 3.42Å; I86-E90 WeakPolarHBondContact O-CG 3.48Å; I86-E90 PolarHBondContact O-N 3.13Å; I86-L265 HydrophobicContact CG2-CD1 4.22Å; I86-W266 HydrophobicContact CD1-CB 3.69Å; I86-W266 HydrophobicContact CD1-CG 4.28Å; I86-W266 HydrophobicContact CG1-CB 4.39Å; I86-V276 HydrophobicContact CG1-CB 4.27Å; I86-V276 HydrophobicContact CG1-CG1 4.25Å; I86-V276 HydrophobicContact CG1-CG2 4.12Å
87M94.9Very high90.7Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-64.3-31.4177.9-65.9-61.4101.900112.9I83 L84 G91 E92 F94 L112 R116 F204 Y233I83-M87 HydrophobicContact CG2-CG 4.06Å; I83-M87 VanDerWaalsContact O-CG 3.28Å; I83-M87 WeakPolarHBondContact O-CG 3.35Å; I83-M87 PolarHBondContact O-N 2.91Å; L84-M87 PolarHBondContact O-N 2.83Å; M87-G91 PolarHBondContact O-N 2.89Å; M87-E92 PolarHBondContact O-N 3.45Å; M87-E92 HydrophobicContact SD-CB 4.35Å; M87-F94 HydrophobicContact CG-CZ 4.35Å; M87-F94 HydrophobicContact SD-CE1 4.42Å; M87-F94 HydrophobicContact SD-CZ 3.7Å; M87-L112 HydrophobicContact CB-CD2 3.9Å; M87-L112 HydrophobicContact CG-CD2 4.17Å; M87-R116 PolarHBondContact O-NH1 3.4Å; M87-F204 HydrophobicContact CE-CE1 4.4Å; M87-F204 HydrophobicContact CG-CE1 4.38Å; M87-F204 HydrophobicContact CG-CZ 4.37Å; M87-F204 HydrophobicContact SD-CE1 3.91Å; M87-F204 HydrophobicContact SD-CZ 3.81Å; M87-Y233 HydrophobicContact CE-CD1 3.73Å; M87-Y233 HydrophobicContact CE-CD2 4.3Å; M87-Y233 HydrophobicContact CE-CE1 3.53Å; M87-Y233 HydrophobicContact CE-CE2 4.11Å; M87-Y233 HydrophobicContact CE-CG 4.12Å
88E93.6Very high91.4Very high39 Ų3946.9 Ų46.918%0.18225%0.254CS..Hα-helixtrans-66.8-53.2170.1174.456.9-172.500110.7I27 T29 L30 L84 E85 I86 E90 G91I27-E88 HydrophobicContact CG2-CB 4.12Å; I27-E88 HydrophobicContact CG2-CG 4.34Å; T29-E88 WeakPolarHBondContact CB-OE1 3.37Å; T29-E88 VanDerWaalsContact N-CD 3.28Å; T29-E88 PolarHBondContact N-OE1 3.11Å; T29-E88 PolarHBondContact N-OE2 3.46Å; T29-E88 VanDerWaalsContact OG1-CD 3.3Å; T29-E88 PolarHBondContact OG1-OE1 3.29Å; T29-E88 PolarHBondContact OG1-OE2 3.33Å; T29-E88 VanDerWaalsContact OG1-OE2 3.11Å; L30-E88 HydrophobicContact CD1-CB 4.07Å; L30-E88 HydrophobicContact CD2-CB 4.04Å; L30-E88 WeakPolarHBondContact CD2-OE2 3.23Å; L30-E88 HydrophobicContact CG-CB 3.84Å; L30-E88 HydrophobicContact CG-CG 4.39Å; L30-E88 VanDerWaalsContact CG-OE2 3.22Å; L30-E88 WeakPolarHBondContact CG-OE2 3.24Å; L30-E88 PolarHBondContact N-OE2 2.6Å; L84-E88 PolarHBondContact O-N 2.94Å; E85-E88 PolarHBondContact O-N 3.24Å; I86-E88 VanDerWaalsContact C-N 3.27Å; I86-E88 PolarHBondContact O-N 2.88Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E88-E90 PolarHBondContact O-N 3.4Å; E88-G91 PolarHBondContact O-N 3.43Å; E88-G91 VanDerWaalsContact O-N 3.11Å
89K92.1Very high91.9Very high166 Ų16641.9 Ų41.972%0.72223%0.231SC*.Hα-helixtrans-60.5-41.3-176.9-178.2-175.1173.6-170.30112.9E85 I86 G91E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 PolarHBondContact O-N 2.79Å; I86-K89 PolarHBondContact O-N 2.94Å; K89-G91 VanDerWaalsContact C-N 3.29Å
90E87.3Confident92.2Very high94 Ų9441.9 Ų41.944%0.43923%0.231SC..THydrogen-bonded Turntrans-80.3-12.1-179.9-66.2-171.4171.500112.8I86 E88 E92I86-E90 HydrophobicContact CG2-CG 4.21Å; I86-E90 WeakPolarHBondContact O-CB 3.42Å; I86-E90 WeakPolarHBondContact O-CG 3.48Å; I86-E90 PolarHBondContact O-N 3.13Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E88-E90 PolarHBondContact O-N 3.4Å; E90-E92 PolarHBondContact O-N 3.46Å
91G80.1Confident92.4Very high40 Ų4041.3 Ų41.341%0.41223%0.227SC..THydrogen-bonded Turntrans6422.718000000113.5M87 E88 K89 T93 R116M87-G91 PolarHBondContact O-N 2.89Å; E88-G91 PolarHBondContact O-N 3.43Å; E88-G91 VanDerWaalsContact O-N 3.11Å; K89-G91 VanDerWaalsContact C-N 3.29Å; G91-T93 PolarHBondContact O-N 2.89Å; G91-R116 PolarHBondContact O-NH2 2.89Å
92E72.8Confident92.6Very high32 Ų3237.9 Ų37.915%0.1521%0.213CC..  trans-64.7129.3-167.4-171.1159.9-171.200112.6M87 E90 R116 Y233M87-E92 PolarHBondContact O-N 3.45Å; M87-E92 HydrophobicContact SD-CB 4.35Å; E90-E92 PolarHBondContact O-N 3.46Å; E92-R116 PolarHBondContact O-NE 2.91Å; E92-R116 PolarHBondContact O-NH1 3.44Å; E92-R116 VanDerWaalsContact O-NH1 3.15Å; E92-R116 PolarHBondContact O-NH2 3.16Å; E92-Y233 VanDerWaalsContact OE2-CZ 3.31Å; E92-Y233 PolarHBondContact OE2-OH 3.02Å
93T76.3Confident92.7Very high93 Ų9338.6 Ų38.657%0.57122%0.222SC*.  trans-99.513117863.60000110.9G91 S95 K97G91-T93 PolarHBondContact O-N 2.89Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-K97 WeakPolarHBondContact O-CE 3.28Å
94F93Very high92.7Very high0 Ų039.1 Ų39.10%023%0.226CC..  trans-91.35.3179-57.6-83.1000113.4M87 G96 K97 V99 L112 A113 R116 G117 A118 I202 F204M87-F94 HydrophobicContact CG-CZ 4.35Å; M87-F94 HydrophobicContact SD-CE1 4.42Å; M87-F94 HydrophobicContact SD-CZ 3.7Å; F94-G96 PolarHBondContact O-N 3.32Å; F94-G96 VanDerWaalsContact O-N 3.12Å; F94-K97 WeakPolarHBondContact O-CB 3.38Å; F94-K97 PolarHBondContact O-N 3.16Å; F94-V99 HydrophobicContact CD1-CG2 4.12Å; F94-L112 HydrophobicContact CE2-CD2 4.41Å; F94-L112 HydrophobicContact CE2-CG 4.34Å; F94-A113 HydrophobicContact CB-CB 4.29Å; F94-A113 HydrophobicContact CD1-CB 3.97Å; F94-A113 HydrophobicContact CD2-CB 4.27Å; F94-A113 HydrophobicContact CE1-CB 4.4Å; F94-A113 HydrophobicContact CG-CB 3.89Å; F94-R116 CarbonylContact C-O 3.23Å; F94-R116 HydrophobicContact CB-CB 4.45Å; F94-R116 HydrophobicContact CD2-CB 3.6Å; F94-R116 HydrophobicContact CD2-CG 4.45Å; F94-R116 HydrophobicContact CE2-CB 4.39Å; F94-R116 PolarHBondContact N-O 2.7Å; F94-G117 CarbonylContact O-C 3.6Å; F94-A118 HydrophobicContact CB-CB 4.11Å; F94-A118 VanDerWaalsContact O-CA 3.23Å; F94-A118 WeakPolarHBondContact O-CA 3.4Å; F94-A118 PolarHBondContact O-N 2.89Å; F94-I202 HydrophobicContact CD1-CG1 4.45Å; F94-I202 HydrophobicContact CE1-CG1 4.46Å; F94-I202 HydrophobicContact CE1-CG2 4.49Å; F94-F204 AromaticContact CE1-CE2 3.68Å; F94-F204 HydrophobicContact CE1-CE2 3.68Å; F94-F204 AromaticContact CE1-CZ 3.5Å; F94-F204 HydrophobicContact CE1-CZ 3.5Å; F94-F204 VanDerWaalsContact CE1-CZ 3.5Å; F94-F204 AromaticContact CZ-CE2 3.99Å; F94-F204 HydrophobicContact CZ-CE2 3.99Å; F94-F204 AromaticContact CZ-CZ 3.61Å; F94-F204 HydrophobicContact CZ-CZ 3.61Å
95S93.8Very high92.6Very high93 Ų9339.5 Ų39.565%0.6523%0.23SC*.THydrogen-bonded Turntrans-49.6117.7-176.9-169.80000112.3T93 K97 R116 G117T93-S95 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.07Å; S95-R116 PolarHBondContact N-O 2.75Å; S95-G117 WeakPolarHBondContact CA-O 3.49Å
96G92.7Very high92.5Very high42 Ų4234.8 Ų34.843%0.43321%0.209SC..THydrogen-bonded Turntrans78.5-9.4178.100000116F94 G117 R119F94-G96 PolarHBondContact O-N 3.32Å; F94-G96 VanDerWaalsContact O-N 3.12Å; G96-G117 PolarHBondContact N-O 3.38Å; G96-G117 VanDerWaalsContact N-O 3.11Å; G96-R119 WeakPolarHBondContact O-CB 3.43Å; G96-R119 PolarHBondContact O-NE 2.91Å
97K96.8Very high92.6Very high62 Ų6234.4 Ų34.427%0.2721%0.207SC..  trans-74.3152.5-177.5-64.3-174.9-173.1-93.20112.7T93 F94 S95 V99 R119 D201 I202T93-K97 WeakPolarHBondContact O-CE 3.28Å; F94-K97 WeakPolarHBondContact O-CB 3.38Å; F94-K97 PolarHBondContact O-N 3.16Å; S95-K97 PolarHBondContact O-N 3.07Å; K97-V99 HydrophobicContact CB-CG2 4.37Å; K97-R119 PolarHBondContact O-N 3.14Å; K97-D201 VanDerWaalsContact CA-OD2 3.26Å; K97-D201 WeakPolarHBondContact CA-OD2 3.42Å; K97-D201 HydrophobicContact CB-CB 4.03Å; K97-D201 HydrophobicContact CD-CB 4.3Å; K97-D201 HydrophobicContact CG-CB 4.15Å; K97-I202 HydrophobicContact CD-CD1 4.34Å; K97-I202 HydrophobicContact CD-CG1 3.85Å
98T98.1Very high92.6Very high13 Ų1334.6 Ų34.68%0.0821%0.208CC..EExtended strand (participates in β ladder)trans-95.6127.1163.950.10000109.8Q120 K199 F200 D201 I202T98-Q120 WeakPolarHBondContact CA-O 3.44Å; T98-Q120 HydrophobicContact CG2-CB 4.29Å; T98-K199 PolarHBondContact OG1-O 3.22Å; T98-F200 WeakPolarHBondContact OG1-CA 3.39Å; T98-D201 PolarHBondContact N-OD2 2.73Å; T98-D201 PolarHBondContact O-N 3.37Å; T98-D201 PolarHBondContact OG1-N 3.5Å; T98-D201 PolarHBondContact OG1-OD2 2.74Å; T98-I202 PolarHBondContact O-N 3.1Å
99V98.6Very high92.9Very high0 Ų032.9 Ų32.90%020%0.2CC..EExtended strand (participates in β ladder)trans-122139.3-173.3-176.50000110.8F94 K97 A113 A118 Q120 I121 L122 F200 I202 F204F94-V99 HydrophobicContact CD1-CG2 4.12Å; K97-V99 HydrophobicContact CB-CG2 4.37Å; V99-A113 HydrophobicContact CB-CB 4.14Å; V99-A113 HydrophobicContact CG1-CB 3.93Å; V99-A113 HydrophobicContact CG2-CB 3.93Å; V99-A118 HydrophobicContact CG2-CB 4.11Å; V99-Q120 PolarHBondContact N-O 3.45Å; V99-I121 CarbonylContact O-C 3.44Å; V99-I121 VanDerWaalsContact O-CA 3.28Å; V99-I121 WeakPolarHBondContact O-CA 3.48Å; V99-L122 PolarHBondContact O-N 3Å; V99-F200 VanDerWaalsContact C-CD1 3.42Å; V99-I202 WeakPolarHBondContact CA-O 3.3Å; V99-I202 HydrophobicContact CG1-CB 4.33Å; V99-I202 HydrophobicContact CG1-CG2 4.49Å; V99-I202 HydrophobicContact CG2-CB 4.18Å; V99-F204 HydrophobicContact CG1-CD2 3.7Å; V99-F204 HydrophobicContact CG1-CE2 3.85Å
100L98.8Very high93.1Very high0 Ų025 Ų250%017%0.165CC..EExtended strand (participates in β ladder)trans-115.8123.9170.8169.961.2000109L102 L122 Q124 F187 F200 I202 I203 F204 L225L100-L102 HydrophobicContact CD1-CD1 4.39Å; L100-L102 HydrophobicContact CD2-CB 4.39Å; L100-L102 HydrophobicContact CD2-CD1 4.15Å; L100-L102 HydrophobicContact CG-CB 4.13Å; L100-L102 HydrophobicContact CG-CD1 4.46Å; L100-L122 CarbonylContact C-O 3.52Å; L100-L122 WeakPolarHBondContact CA-O 3.45Å; L100-L122 HydrophobicContact CD1-CB 4Å; L100-L122 HydrophobicContact CD1-CD2 3.44Å; L100-L122 VanDerWaalsContact CD1-CD2 3.44Å; L100-L122 HydrophobicContact CD1-CG 4.23Å; L100-L122 WeakPolarHBondContact CD1-O 3.33Å; L100-Q124 HydrophobicContact CD1-CB 4.43Å; L100-F187 HydrophobicContact CD1-CZ 4.41Å; L100-F200 HydrophobicContact CB-CB 4.28Å; L100-F200 HydrophobicContact CB-CD1 3.67Å; L100-F200 HydrophobicContact CB-CD2 3.88Å; L100-F200 HydrophobicContact CB-CE1 3.91Å; L100-F200 HydrophobicContact CB-CE2 4.12Å; L100-F200 HydrophobicContact CB-CG 3.65Å; L100-F200 HydrophobicContact CB-CZ 4.13Å; L100-F200 HydrophobicContact CD2-CD2 4.02Å; L100-F200 HydrophobicContact CD2-CE2 4.05Å; L100-I202 PolarHBondContact N-O 3.05Å; L100-I203 HydrophobicContact CB-CB 4.49Å; L100-I203 HydrophobicContact CB-CG1 4.14Å; L100-I203 HydrophobicContact CB-CG2 4.26Å; L100-I203 HydrophobicContact CD2-CD1 4.15Å; L100-I203 HydrophobicContact CD2-CG1 4.19Å; L100-I203 HydrophobicContact CD2-CG2 3.96Å; L100-I203 HydrophobicContact CG-CG2 4.05Å; L100-I203 CarbonylContact O-C 3.56Å; L100-I203 WeakPolarHBondContact O-CA 3.4Å; L100-F204 PolarHBondContact O-N 3.33Å; L100-L225 HydrophobicContact CD2-CB 4.48Å; L100-L225 HydrophobicContact CD2-CD1 3.96Å
101D98.8Very high93.6Very high3 Ų320.5 Ų20.52%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-10099.5167.9-165.8-10.4000108C104 G110 L122 F123 Q124D101-C104 HydrophobicContact CB-CB 3.87Å; D101-C104 WeakPolarHBondContact O-CB 3.49Å; D101-C104 WeakPolarHBondContact OD1-CA 3.34Å; D101-C104 WeakPolarHBondContact OD1-CB 3.4Å; D101-G110 PolarHBondContact OD2-N 2.73Å; D101-L122 PolarHBondContact N-O 3.22Å; D101-F123 HydrophobicContact CB-CD1 4.07Å; D101-F123 HydrophobicContact CB-CE1 4.46Å; D101-Q124 PolarHBondContact O-N 3.31Å
102L98.7Very high94.4Very high0 Ų018.6 Ų18.60%013%0.125CC..EExtended strand (participates in β ladder)trans-99.7117.2-170.6-170.280.6000111L100 Q124 F187 I203 F204 T205 L218 T221 L222L100-L102 HydrophobicContact CD1-CD1 4.39Å; L100-L102 HydrophobicContact CD2-CB 4.39Å; L100-L102 HydrophobicContact CD2-CD1 4.15Å; L100-L102 HydrophobicContact CG-CB 4.13Å; L100-L102 HydrophobicContact CG-CD1 4.46Å; L102-Q124 HydrophobicContact CD1-CB 4.23Å; L102-Q124 HydrophobicContact CD1-CG 4.22Å; L102-F187 HydrophobicContact CD1-CD1 4.46Å; L102-F187 HydrophobicContact CD1-CE1 3.91Å; L102-I203 HydrophobicContact CB-CG2 4.21Å; L102-F204 PolarHBondContact N-O 3.21Å; L102-T205 WeakPolarHBondContact O-CB 3.31Å; L102-T205 PolarHBondContact O-OG1 2.89Å; L102-L218 HydrophobicContact CD2-CD1 3.4Å; L102-T221 HydrophobicContact CD1-CG2 3.99Å; L102-T221 HydrophobicContact CD2-CG2 4.16Å; L102-L222 HydrophobicContact CD2-CD2 4.15Å
103G97.3Very high95.5Very high21 Ų2117.1 Ų17.122%0.21612%0.118CC..THydrogen-bonded Turntrans7249.9-165.500000110.9G105 Q124G103-G105 PolarHBondContact O-N 3.18Å; G103-Q124 CarbonylContact C-O 3.57Å; G103-Q124 VanDerWaalsContact CA-O 3.25Å; G103-Q124 WeakPolarHBondContact CA-O 3.37Å; G103-Q124 PolarHBondContact N-O 2.99Å
104C97Very high96.4Very high12 Ų1212.9 Ų12.98%0.0819%0.092CC..  trans-73.3-24.6-161.863.30000115.1D101 A106 G107 F123 Q124D101-C104 HydrophobicContact CB-CB 3.87Å; D101-C104 WeakPolarHBondContact O-CB 3.49Å; D101-C104 WeakPolarHBondContact OD1-CA 3.34Å; D101-C104 WeakPolarHBondContact OD1-CB 3.4Å; C104-A106 PolarHBondContact O-N 2.69Å; C104-G107 PolarHBondContact O-N 3.02Å; C104-F123 HydrophobicContact CB-CD1 4.24Å; C104-Q124 PolarHBondContact N-O 3.35Å; C104-Q124 PolarHBondContact SG-O 2.98Å
105G94Very high96.4Very high7 Ų714.5 Ų14.57%0.07210%0.099CC..THydrogen-bonded Turntrans50.8-117.6-174.200000112.1G73 G103 G107 D125 T135G73-G105 WeakPolarHBondContact O-CA 3.32Å; G103-G105 PolarHBondContact O-N 3.18Å; G105-G107 PolarHBondContact O-N 3.19Å; G105-G107 VanDerWaalsContact O-N 3.16Å; G105-D125 PolarHBondContact N-OD2 2.88Å; G105-T135 PolarHBondContact O-OG1 3.09Å
106A92.9Very high96.3Very high6 Ų612.7 Ų12.75%0.058%0.078CC..THydrogen-bonded Turntrans-63-15.2176.200000115.1V76 C104 L108 L134 N138V76-A106 HydrophobicContact CG2-CB 3.8Å; C104-A106 PolarHBondContact O-N 2.69Å; A106-L108 HydrophobicContact CB-CD1 4.48Å; A106-L108 HydrophobicContact CB-CG 4.28Å; A106-L134 HydrophobicContact CB-CD2 4.16Å; A106-L134 HydrophobicContact CB-CG 4.46Å; A106-N138 PolarHBondContact O-ND2 2.93Å
107G96.3Very high96.3Very high0 Ų012.1 Ų12.10%07%0.072CC..  trans79.216.3175.400000115.3C104 G105 L109 G110 I111 F123C104-G107 PolarHBondContact O-N 3.02Å; G105-G107 PolarHBondContact O-N 3.19Å; G105-G107 VanDerWaalsContact O-N 3.16Å; G107-L109 VanDerWaalsContact C-N 3.32Å; G107-L109 PolarHBondContact O-N 3.49Å; G107-G110 PolarHBondContact O-N 3.14Å; G107-I111 WeakPolarHBondContact O-CB 3.35Å; G107-I111 WeakPolarHBondContact O-CD1 3.44Å; G107-I111 WeakPolarHBondContact O-CG1 3.01Å; G107-I111 PolarHBondContact O-N 2.65Å; G107-F123 WeakPolarHBondContact O-CE1 3.29Å
108L96.6Very high96.3Very high3 Ų39.2 Ų9.22%0.0166%0.059CC..Hα-helixtrans-62.2-35.6-171.4-71.5169000113.9I25 L33 F35 V76 T80 A106 I111 L112I25-L108 HydrophobicContact CD1-CD1 3.39Å; I25-L108 HydrophobicContact CD1-CD2 4.09Å; I25-L108 HydrophobicContact CD1-CG 4.35Å; L33-L108 HydrophobicContact CB-CD2 3.92Å; L33-L108 HydrophobicContact CD1-CD2 4.41Å; F35-L108 HydrophobicContact CB-CD2 4.02Å; F35-L108 HydrophobicContact CD1-CD2 4.23Å; F35-L108 HydrophobicContact CG-CD2 4.3Å; V76-L108 HydrophobicContact CB-CD1 4.27Å; V76-L108 HydrophobicContact CG1-CD1 3.51Å; V76-L108 HydrophobicContact CG2-CD1 3.7Å; T80-L108 HydrophobicContact CG2-CB 4.14Å; T80-L108 HydrophobicContact CG2-CD1 4.29Å; A106-L108 HydrophobicContact CB-CD1 4.48Å; A106-L108 HydrophobicContact CB-CG 4.28Å; L108-I111 PolarHBondContact O-N 3.18Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 PolarHBondContact O-N 2.97Å
109L98Very high96.2Very high3 Ų316 Ų162%0.0168%0.084CC..Hα-helixtrans-71.3-43.5-179.2-57.7176.5000110.9T80 I83 L84 G107 L112 A113 F204T80-L109 HydrophobicContact CG2-CD1 4.44Å; T80-L109 HydrophobicContact CG2-CD2 4.01Å; T80-L109 HydrophobicContact CG2-CG 4Å; I83-L109 HydrophobicContact CB-CD1 4.41Å; I83-L109 HydrophobicContact CB-CD2 3.87Å; I83-L109 HydrophobicContact CD1-CD1 3.75Å; I83-L109 HydrophobicContact CG2-CD1 4.34Å; I83-L109 HydrophobicContact CG2-CD2 3.72Å; L84-L109 HydrophobicContact CD2-CD2 3.77Å; L84-L109 HydrophobicContact CG-CD2 3.96Å; G107-L109 VanDerWaalsContact C-N 3.32Å; G107-L109 PolarHBondContact O-N 3.49Å; L109-L112 PolarHBondContact O-N 2.83Å; L109-A113 PolarHBondContact O-N 3.38Å; L109-F204 HydrophobicContact CB-CB 3.92Å; L109-F204 HydrophobicContact CB-CD1 4.5Å; L109-F204 HydrophobicContact CB-CD2 3.9Å; L109-F204 HydrophobicContact CB-CG 3.86Å; L109-F204 HydrophobicContact CD1-CB 3.79Å; L109-F204 HydrophobicContact CD1-CD1 4.37Å; L109-F204 HydrophobicContact CD1-CG 4.19Å; L109-F204 HydrophobicContact CG-CB 4.49Å
110G98Very high96.1Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-66-35.9172.600000113.2D101 G107 A113 L114 F123D101-G110 PolarHBondContact OD2-N 2.73Å; G107-G110 PolarHBondContact O-N 3.14Å; G110-A113 PolarHBondContact O-N 3.04Å; G110-L114 WeakPolarHBondContact O-CB 3.31Å; G110-L114 PolarHBondContact O-N 3.26Å; G110-F123 VanDerWaalsContact CA-CE1 3.49Å
111I97.1Very high96.1Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-65.2-42.8174.3-69.3163.7000110.8L33 G107 L108 A113 L114 K115 F123 N138 V139 N142L33-I111 HydrophobicContact CD2-CG2 3.99Å; G107-I111 WeakPolarHBondContact O-CB 3.35Å; G107-I111 WeakPolarHBondContact O-CD1 3.44Å; G107-I111 WeakPolarHBondContact O-CG1 3.01Å; G107-I111 PolarHBondContact O-N 2.65Å; L108-I111 PolarHBondContact O-N 3.18Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.94Å; I111-L114 WeakPolarHBondContact O-CB 3.45Å; I111-L114 PolarHBondContact O-N 3.14Å; I111-K115 PolarHBondContact O-N 3.08Å; I111-F123 HydrophobicContact CG1-CE1 4.44Å; I111-F123 HydrophobicContact CG1-CZ 4.36Å; I111-N138 HydrophobicContact CD1-CB 3.74Å; I111-V139 HydrophobicContact CD1-CG2 4.11Å; I111-V139 HydrophobicContact CG1-CG2 3.76Å; I111-N142 HydrophobicContact CG2-CB 3.63Å; I111-N142 VanDerWaalsContact CG2-CG 3.48Å
112L96.3Very high96.1Very high1 Ų119.4 Ų19.41%0.00510%0.099CC..Hα-helixtrans-57-47.6173.617566.8000110.7L30 P31 L33 L84 M87 F94 L108 L109 L114 K115 R116L30-L112 HydrophobicContact CB-CD1 4.38Å; L30-L112 HydrophobicContact CD1-CD1 4.14Å; L30-L112 HydrophobicContact CD1-CD2 4.16Å; L30-L112 HydrophobicContact CD2-CD1 4.09Å; L30-L112 HydrophobicContact CG-CD1 4.45Å; P31-L112 HydrophobicContact CG-CD1 4.07Å; L33-L112 HydrophobicContact CD1-CB 4.21Å; L33-L112 HydrophobicContact CD2-CB 4.22Å; L33-L112 HydrophobicContact CD2-CD1 4.41Å; L84-L112 HydrophobicContact CD2-CB 4.16Å; L84-L112 HydrophobicContact CD2-CD2 3.57Å; L84-L112 HydrophobicContact CD2-CG 4.37Å; M87-L112 HydrophobicContact CB-CD2 3.9Å; M87-L112 HydrophobicContact CG-CD2 4.17Å; F94-L112 HydrophobicContact CE2-CD2 4.41Å; F94-L112 HydrophobicContact CE2-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 PolarHBondContact O-N 2.97Å; L109-L112 PolarHBondContact O-N 2.83Å; L112-L114 VanDerWaalsContact C-N 3.31Å; L112-L114 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 3.18Å; L112-R116 HydrophobicContact CD1-CG 4.17Å; L112-R116 WeakPolarHBondContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CG 3.47Å; L112-R116 PolarHBondContact O-N 3.41Å
113A96.8Very high96.1Very high0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-60-41.8177.400000112.2F94 V99 L109 G110 I111 R116 G117 A118 I121 F204F94-A113 HydrophobicContact CB-CB 4.29Å; F94-A113 HydrophobicContact CD1-CB 3.97Å; F94-A113 HydrophobicContact CD2-CB 4.27Å; F94-A113 HydrophobicContact CE1-CB 4.4Å; F94-A113 HydrophobicContact CG-CB 3.89Å; V99-A113 HydrophobicContact CB-CB 4.14Å; V99-A113 HydrophobicContact CG1-CB 3.93Å; V99-A113 HydrophobicContact CG2-CB 3.93Å; L109-A113 PolarHBondContact O-N 3.38Å; G110-A113 PolarHBondContact O-N 3.04Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.94Å; A113-R116 CarbonylContact O-C 3.58Å; A113-R116 PolarHBondContact O-N 2.9Å; A113-G117 PolarHBondContact O-N 3.13Å; A113-A118 HydrophobicContact CB-CB 4.14Å; A113-A118 WeakPolarHBondContact O-CB 3.46Å; A113-A118 PolarHBondContact O-N 3.07Å; A113-I121 HydrophobicContact CB-CG1 4.49Å; A113-F204 HydrophobicContact CB-CE2 4.48Å
114L95.3Very high96.1Very high4 Ų418.4 Ų18.42%0.0219%0.089CC..Hα-helixtrans-59-52.9175.7179.867.1000111.8G110 I111 L112 R116 G117 I121 V139 L173 K176G110-L114 WeakPolarHBondContact O-CB 3.31Å; G110-L114 PolarHBondContact O-N 3.26Å; I111-L114 WeakPolarHBondContact O-CB 3.45Å; I111-L114 PolarHBondContact O-N 3.14Å; L112-L114 VanDerWaalsContact C-N 3.31Å; L112-L114 PolarHBondContact O-N 3.47Å; L114-R116 PolarHBondContact O-N 2.78Å; L114-G117 PolarHBondContact O-N 2.94Å; L114-G117 VanDerWaalsContact O-N 3.12Å; L114-I121 HydrophobicContact CB-CD1 3.92Å; L114-I121 HydrophobicContact CB-CG1 4.2Å; L114-I121 HydrophobicContact CD1-CD1 3.55Å; L114-I121 HydrophobicContact CG-CD1 4.34Å; L114-V139 HydrophobicContact CD2-CG1 4.04Å; L114-L173 HydrophobicContact CD1-CB 4.18Å; L114-L173 HydrophobicContact CD1-CD2 4.14Å; L114-L173 HydrophobicContact CD2-CB 4.32Å; L114-L173 HydrophobicContact CG-CB 4.48Å; L114-K176 HydrophobicContact CD1-CB 4.13Å; L114-K176 HydrophobicContact CD1-CD 4.07Å
115K92.4Very high96.2Very high34 Ų3418.3 Ų18.315%0.1489%0.088CC..Hα-helixtrans-62-29.5179.1-73.6-159.7168.1-160.90112.7P31 P32 L33 I111 L112 G117 N142 E145P31-K115 HydrophobicContact CB-CB 4.34Å; P31-K115 HydrophobicContact CB-CD 3.83Å; P31-K115 HydrophobicContact CG-CB 3.86Å; P31-K115 HydrophobicContact CG-CD 4.07Å; P32-K115 PolarHBondContact O-NZ 3.21Å; L33-K115 HydrophobicContact CD2-CD 4.38Å; I111-K115 PolarHBondContact O-N 3.08Å; L112-K115 PolarHBondContact O-N 3.18Å; K115-G117 VanDerWaalsContact C-N 3.32Å; K115-G117 PolarHBondContact O-N 3.31Å; K115-N142 WeakPolarHBondContact CE-O 3.29Å; K115-N142 WeakPolarHBondContact CE-OD1 3.48Å; K115-E145 IonicContact NZ-OE2 3.59Å; K115-E145 PolarHBondContact NZ-OE2 3.35Å
116R92.4Very high96.2Very high55 Ų5519.2 Ų19.221%0.2089%0.089CC..THydrogen-bonded Turntrans-94.823.1178.2-67.8-174.280.6174.57.6113.7L30 P31 M87 G91 E92 F94 S95 L112 A113 L114L30-R116 VanDerWaalsContact CD2-NH1 3.25Å; P31-R116 HydrophobicContact CG-CG 4.27Å; M87-R116 PolarHBondContact O-NH1 3.4Å; G91-R116 PolarHBondContact O-NH2 2.89Å; E92-R116 PolarHBondContact O-NE 2.91Å; E92-R116 PolarHBondContact O-NH1 3.44Å; E92-R116 VanDerWaalsContact O-NH1 3.15Å; E92-R116 PolarHBondContact O-NH2 3.16Å; F94-R116 CarbonylContact C-O 3.23Å; F94-R116 HydrophobicContact CB-CB 4.45Å; F94-R116 HydrophobicContact CD2-CB 3.6Å; F94-R116 HydrophobicContact CD2-CG 4.45Å; F94-R116 HydrophobicContact CE2-CB 4.39Å; F94-R116 PolarHBondContact N-O 2.7Å; S95-R116 PolarHBondContact N-O 2.75Å; L112-R116 HydrophobicContact CD1-CG 4.17Å; L112-R116 WeakPolarHBondContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CG 3.47Å; L112-R116 PolarHBondContact O-N 3.41Å; A113-R116 CarbonylContact O-C 3.58Å; A113-R116 PolarHBondContact O-N 2.9Å; L114-R116 PolarHBondContact O-N 2.78Å
117G92.8Very high96Very high31 Ų3119 Ų1932%0.329%0.087SC..THydrogen-bonded Turntrans91.715162.800000116F94 S95 G96 A113 L114 K115 R119F94-G117 CarbonylContact O-C 3.6Å; S95-G117 WeakPolarHBondContact CA-O 3.49Å; G96-G117 PolarHBondContact N-O 3.38Å; G96-G117 VanDerWaalsContact N-O 3.11Å; A113-G117 PolarHBondContact O-N 3.13Å; L114-G117 PolarHBondContact O-N 2.94Å; L114-G117 VanDerWaalsContact O-N 3.12Å; K115-G117 VanDerWaalsContact C-N 3.32Å; K115-G117 PolarHBondContact O-N 3.31Å; G117-R119 PolarHBondContact O-N 3.48Å
118A96.3Very high95.8Very high0 Ų019.5 Ų19.50%09%0.091CC..  trans-51.5141.1172.100000111.5F94 V99 A113 I121F94-A118 HydrophobicContact CB-CB 4.11Å; F94-A118 VanDerWaalsContact O-CA 3.23Å; F94-A118 WeakPolarHBondContact O-CA 3.4Å; F94-A118 PolarHBondContact O-N 2.89Å; V99-A118 HydrophobicContact CG2-CB 4.11Å; A113-A118 HydrophobicContact CB-CB 4.14Å; A113-A118 WeakPolarHBondContact O-CB 3.46Å; A113-A118 PolarHBondContact O-N 3.07Å; A118-I121 HydrophobicContact CB-CD1 3.55Å; A118-I121 HydrophobicContact CB-CG1 3.84Å
119R96.1Very high95.3Very high156 Ų15619.5 Ų19.559%0.5899%0.091SC*.SBendtrans-75.3-40.1179.3174.9174.758.8160.9-1.5111.1G96 K97 G117 K176G96-R119 WeakPolarHBondContact O-CB 3.43Å; G96-R119 PolarHBondContact O-NE 2.91Å; K97-R119 PolarHBondContact O-N 3.14Å; G117-R119 PolarHBondContact O-N 3.48Å; R119-K176 WeakPolarHBondContact O-CG 3.37Å
120Q96.6Very high94.7Very high70 Ų7019.4 Ų19.433%0.3279%0.09SC..EExtended strand (participates in β ladder)trans-152.3141178.3-175.317686.900109.4T98 V99 K176 L178T98-Q120 WeakPolarHBondContact CA-O 3.44Å; T98-Q120 HydrophobicContact CG2-CB 4.29Å; V99-Q120 PolarHBondContact N-O 3.45Å; Q120-K176 CarbonylContact C-O 3.59Å; Q120-K176 VanDerWaalsContact CA-O 3.32Å; Q120-K176 WeakPolarHBondContact CA-O 3.43Å; Q120-K176 WeakPolarHBondContact CG-O 3.38Å; Q120-L178 HydrophobicContact CG-CD1 4.3Å
121I98.2Very high94.5Very high0 Ų019.4 Ų19.40%09%0.09CC..EExtended strand (participates in β ladder)trans-127.1127.7178.8-52.773.6000107.6V99 A113 L114 A118 F123 K176 C177 L178V99-I121 CarbonylContact O-C 3.44Å; V99-I121 VanDerWaalsContact O-CA 3.28Å; V99-I121 WeakPolarHBondContact O-CA 3.48Å; A113-I121 HydrophobicContact CB-CG1 4.49Å; L114-I121 HydrophobicContact CB-CD1 3.92Å; L114-I121 HydrophobicContact CB-CG1 4.2Å; L114-I121 HydrophobicContact CD1-CD1 3.55Å; L114-I121 HydrophobicContact CG-CD1 4.34Å; A118-I121 HydrophobicContact CB-CD1 3.55Å; A118-I121 HydrophobicContact CB-CG1 3.84Å; I121-F123 HydrophobicContact CB-CE2 3.87Å; I121-F123 HydrophobicContact CB-CZ 4.29Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 4.14Å; I121-F123 HydrophobicContact CG2-CE2 3.45Å; I121-F123 VanDerWaalsContact CG2-CE2 3.45Å; I121-F123 HydrophobicContact CG2-CZ 3.54Å; I121-K176 HydrophobicContact CD1-CB 4.3Å; I121-K176 PolarHBondContact N-O 2.98Å; I121-C177 CarbonylContact O-C 3.54Å; I121-C177 WeakPolarHBondContact O-CA 3.39Å; I121-L178 PolarHBondContact O-N 3.26Å
122L98.5Very high94.1Very high4 Ų422.9 Ų22.92%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-104.9123.5169-166157.9000108.4V99 L100 D101 Q124 L178 Y180 F187 V191 F200V99-L122 PolarHBondContact O-N 3Å; L100-L122 CarbonylContact C-O 3.52Å; L100-L122 WeakPolarHBondContact CA-O 3.45Å; L100-L122 HydrophobicContact CD1-CB 4Å; L100-L122 HydrophobicContact CD1-CD2 3.44Å; L100-L122 VanDerWaalsContact CD1-CD2 3.44Å; L100-L122 HydrophobicContact CD1-CG 4.23Å; L100-L122 WeakPolarHBondContact CD1-O 3.33Å; D101-L122 PolarHBondContact N-O 3.22Å; L122-Q124 HydrophobicContact CD2-CB 3.94Å; L122-L178 CarbonylContact C-O 3.57Å; L122-L178 WeakPolarHBondContact CA-O 3.36Å; L122-L178 HydrophobicContact CB-CB 4.41Å; L122-L178 HydrophobicContact CG-CB 4.11Å; L122-Y180 HydrophobicContact CD1-CD2 3.75Å; L122-Y180 HydrophobicContact CD1-CE2 3.57Å; L122-Y180 HydrophobicContact CD2-CD2 3.62Å; L122-Y180 HydrophobicContact CD2-CE2 4.31Å; L122-Y180 HydrophobicContact CD2-CG 4.35Å; L122-Y180 HydrophobicContact CG-CD2 3.67Å; L122-Y180 HydrophobicContact CG-CE2 3.9Å; L122-F187 HydrophobicContact CD2-CE2 3.86Å; L122-F187 HydrophobicContact CD2-CZ 3.8Å; L122-V191 HydrophobicContact CD1-CG2 4.41Å; L122-F200 HydrophobicContact CB-CE1 3.89Å; L122-F200 HydrophobicContact CB-CZ 3.91Å; L122-F200 HydrophobicContact CD1-CZ 3.93Å
123F98.7Very high93.5Very high0 Ų023.5 Ų23.50%011%0.11CC..EExtended strand (participates in β ladder)trans-100127.4172-63-90.3000109.1D101 C104 G107 G110 I111 I121 T135 V139 C177 L178 F179 Y180D101-F123 HydrophobicContact CB-CD1 4.07Å; D101-F123 HydrophobicContact CB-CE1 4.46Å; C104-F123 HydrophobicContact CB-CD1 4.24Å; G107-F123 WeakPolarHBondContact O-CE1 3.29Å; G110-F123 VanDerWaalsContact CA-CE1 3.49Å; I111-F123 HydrophobicContact CG1-CE1 4.44Å; I111-F123 HydrophobicContact CG1-CZ 4.36Å; I121-F123 HydrophobicContact CB-CE2 3.87Å; I121-F123 HydrophobicContact CB-CZ 4.29Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 4.14Å; I121-F123 HydrophobicContact CG2-CE2 3.45Å; I121-F123 VanDerWaalsContact CG2-CE2 3.45Å; I121-F123 HydrophobicContact CG2-CZ 3.54Å; F123-T135 HydrophobicContact CB-CG2 3.94Å; F123-T135 HydrophobicContact CD1-CG2 3.73Å; F123-T135 HydrophobicContact CE1-CG2 4.46Å; F123-T135 HydrophobicContact CG-CG2 3.94Å; F123-V139 HydrophobicContact CD2-CG2 4.5Å; F123-V139 HydrophobicContact CE1-CG2 4.15Å; F123-V139 HydrophobicContact CE2-CG2 3.87Å; F123-V139 HydrophobicContact CZ-CG2 3.66Å; F123-C177 HydrophobicContact CD2-CB 4.44Å; F123-C177 HydrophobicContact CE2-CB 4.09Å; F123-L178 PolarHBondContact N-O 2.77Å; F123-F179 HydrophobicContact CB-CD1 3.95Å; F123-F179 HydrophobicContact CB-CE1 4.37Å; F123-F179 HydrophobicContact CD2-CD1 4.03Å; F123-F179 AromaticContact CD2-CE1 3.71Å; F123-F179 HydrophobicContact CD2-CE1 3.71Å; F123-F179 HydrophobicContact CD2-CZ 4.38Å; F123-F179 HydrophobicContact CE2-CE1 4.28Å; F123-F179 HydrophobicContact CG-CD1 4.25Å; F123-F179 HydrophobicContact CG-CE1 4.17Å; F123-Y180 PolarHBondContact O-N 2.68Å
124Q98.5Very high93Very high1 Ų123.7 Ų23.71%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-130.2128.7177.3-176.9-81.4-49.300110.9L100 D101 L102 G103 C104 L122 Y180 G182 W184 F187L100-Q124 HydrophobicContact CD1-CB 4.43Å; D101-Q124 PolarHBondContact O-N 3.31Å; L102-Q124 HydrophobicContact CD1-CB 4.23Å; L102-Q124 HydrophobicContact CD1-CG 4.22Å; G103-Q124 CarbonylContact C-O 3.57Å; G103-Q124 VanDerWaalsContact CA-O 3.25Å; G103-Q124 WeakPolarHBondContact CA-O 3.37Å; G103-Q124 PolarHBondContact N-O 2.99Å; C104-Q124 PolarHBondContact N-O 3.35Å; C104-Q124 PolarHBondContact SG-O 2.98Å; L122-Q124 HydrophobicContact CD2-CB 3.94Å; Q124-Y180 VanDerWaalsContact CA-O 3.3Å; Q124-Y180 WeakPolarHBondContact CA-O 3.37Å; Q124-G182 PolarHBondContact NE2-O 2.89Å; Q124-W184 VanDerWaalsContact OE1-CD1 3.24Å; Q124-F187 HydrophobicContact CB-CE1 4.48Å; Q124-F187 HydrophobicContact CB-CE2 3.96Å; Q124-F187 HydrophobicContact CB-CZ 3.95Å; Q124-F187 HydrophobicContact CG-CD1 4.04Å; Q124-F187 HydrophobicContact CG-CD2 3.65Å; Q124-F187 HydrophobicContact CG-CE1 3.99Å; Q124-F187 HydrophobicContact CG-CE2 3.58Å; Q124-F187 HydrophobicContact CG-CG 3.87Å; Q124-F187 HydrophobicContact CG-CZ 3.76Å
125D97.6Very high92.9Very high9 Ų923.5 Ų23.55%0.04811%0.11CC..EExtended strand (participates in β ladder)trans-130.4164.6170-161.3-87.8000111.3G105 N127 V130 I131 Y180 S181 G182G105-D125 PolarHBondContact N-OD2 2.88Å; D125-N127 VanDerWaalsContact C-N 3.29Å; D125-N127 PolarHBondContact OD1-N 2.85Å; D125-V130 HydrophobicContact CB-CB 4.48Å; D125-V130 HydrophobicContact CB-CG1 4.12Å; D125-I131 HydrophobicContact CB-CD1 3.76Å; D125-I131 HydrophobicContact CB-CG1 3.93Å; D125-Y180 PolarHBondContact N-O 2.84Å; D125-S181 CarbonylContact O-C 3.58Å; D125-S181 WeakPolarHBondContact O-CA 3.39Å; D125-G182 PolarHBondContact O-N 3.36Å
126Y94.1Very high92.9Very high27 Ų2722 Ų2211%0.10610%0.104CC..SBendtrans-68.1-34.6172.8-177.4-102.8000111.4K2 G68 K71 G182 D183K2-Y126 HydrophobicContact CB-CE1 4.49Å; K2-Y126 HydrophobicContact CB-CE2 3.73Å; K2-Y126 HydrophobicContact CD-CD1 4.06Å; K2-Y126 HydrophobicContact CD-CD2 4.46Å; K2-Y126 HydrophobicContact CD-CE1 3.63Å; K2-Y126 HydrophobicContact CD-CE2 4.09Å; K2-Y126 HydrophobicContact CD-CG 4.46Å; K2-Y126 WeakPolarHBondContact CD-O 3.18Å; K2-Y126 WeakPolarHBondContact CE-O 3.48Å; K2-Y126 PolarHBondContact NZ-O 2.86Å; G68-Y126 PolarHBondContact O-OH 3.31Å; K71-Y126 HydrophobicContact CB-CD1 4.23Å; K71-Y126 HydrophobicContact CB-CG 4.23Å; K71-Y126 HydrophobicContact CG-CD1 3.61Å; K71-Y126 HydrophobicContact CG-CD2 4.19Å; K71-Y126 HydrophobicContact CG-CE1 4.14Å; K71-Y126 HydrophobicContact CG-CG 3.64Å; Y126-G182 PolarHBondContact O-N 3.49Å; Y126-D183 HydrophobicContact CD2-CB 4.38Å; Y126-D183 HydrophobicContact CE2-CB 4.01Å
127N89.5Confident92.8Very high0 Ų019.4 Ų19.40%09%0.094CC..  trans-100.7132.9-169.4-63.6-60000113.1K2 E52 I54 V69 G72 D125 T129 V130 I131K2-N127 PolarHBondContact NZ-OD1 2.84Å; E52-N127 WeakPolarHBondContact OE2-CA 3.49Å; E52-N127 WeakPolarHBondContact OE2-CB 3.28Å; I54-N127 HydrophobicContact CD1-CB 3.85Å; V69-N127 PolarHBondContact O-OD1 2.87Å; G72-N127 PolarHBondContact O-ND2 3.07Å; D125-N127 VanDerWaalsContact C-N 3.29Å; D125-N127 PolarHBondContact OD1-N 2.85Å; N127-T129 VanDerWaalsContact C-N 3.34Å; N127-V130 HydrophobicContact CB-CB 3.89Å; N127-V130 HydrophobicContact CB-CG2 3.6Å; N127-V130 PolarHBondContact O-N 2.84Å; N127-I131 PolarHBondContact O-N 2.86Å
128S91.1Very high92.7Very high12 Ų1218 Ų188%0.0848%0.078CC..Hα-helixtrans-66.1-43175.1-530000110.1K5 E52 V130 I131 E132 S181K5-S128 WeakPolarHBondContact CE-OG 3.26Å; E52-S128 WeakPolarHBondContact OE1-CB 3.43Å; E52-S128 PolarHBondContact OE1-N 2.92Å; E52-S128 PolarHBondContact OE1-OG 2.9Å; E52-S128 PolarHBondContact OE2-N 2.96Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 3.07Å; S128-I131 PolarHBondContact O-N 2.99Å; S128-E132 WeakPolarHBondContact O-CB 3.49Å; S128-E132 VanDerWaalsContact O-CG 3.28Å; S128-E132 WeakPolarHBondContact O-CG 3.29Å; S128-E132 PolarHBondContact O-N 2.75Å; S128-S181 WeakPolarHBondContact CA-OG 3.46Å; S128-S181 PolarHBondContact OG-OG 2.9Å
129T86.2Confident92.6Very high3 Ų318 Ų182%0.0188%0.078CC..Hα-helixtrans-62.9-37.3179.6-50.20000111.4F41 E52 I54 N127 Q133F41-T129 HydrophobicContact CE2-CG2 3.86Å; F41-T129 HydrophobicContact CZ-CG2 3.54Å; E52-T129 PolarHBondContact OE2-N 2.81Å; E52-T129 PolarHBondContact OE2-OG1 2.94Å; I54-T129 HydrophobicContact CD1-CG2 4.19Å; N127-T129 VanDerWaalsContact C-N 3.34Å; T129-Q133 HydrophobicContact CG2-CB 4.46Å; T129-Q133 HydrophobicContact CG2-CG 4.11Å; T129-Q133 VanDerWaalsContact O-CB 3.25Å; T129-Q133 WeakPolarHBondContact O-CB 3.42Å; T129-Q133 PolarHBondContact O-N 2.92Å
130V87.4Confident92.2Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-63.1-47.4175.3171.50000110.5I54 D125 N127 S128 L134 T135I54-V130 HydrophobicContact CD1-CG2 4.24Å; D125-V130 HydrophobicContact CB-CB 4.48Å; D125-V130 HydrophobicContact CB-CG1 4.12Å; N127-V130 HydrophobicContact CB-CB 3.89Å; N127-V130 HydrophobicContact CB-CG2 3.6Å; N127-V130 PolarHBondContact O-N 2.84Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 3.07Å; V130-L134 HydrophobicContact CG1-CD2 4.44Å; V130-L134 WeakPolarHBondContact O-CA 3.23Å; V130-L134 VanDerWaalsContact O-CB 3.26Å; V130-L134 WeakPolarHBondContact O-CB 3.47Å; V130-L134 PolarHBondContact O-N 2.84Å; V130-T135 PolarHBondContact O-N 2.83Å; V130-T135 PolarHBondContact O-OG1 3.44Å
131I92.2Very high91.8Very high0 Ų08.6 Ų8.60%04%0.042CC..Iπ-helixtrans-59.3-53.6176.4-68.4-64.5000111.5H7 D125 N127 S128 T135 V136 F179 Y180H7-I131 HydrophobicContact CB-CG2 4.06Å; D125-I131 HydrophobicContact CB-CD1 3.76Å; D125-I131 HydrophobicContact CB-CG1 3.93Å; N127-I131 PolarHBondContact O-N 2.86Å; S128-I131 PolarHBondContact O-N 2.99Å; I131-T135 HydrophobicContact CD1-CG2 4.43Å; I131-T135 PolarHBondContact O-N 2.95Å; I131-V136 HydrophobicContact CG2-CG2 4.28Å; I131-V136 WeakPolarHBondContact O-CB 3.32Å; I131-V136 VanDerWaalsContact O-CG2 3.28Å; I131-V136 WeakPolarHBondContact O-CG2 3.3Å; I131-V136 PolarHBondContact O-N 3.07Å; I131-F179 HydrophobicContact CG2-CB 3.75Å; I131-F179 HydrophobicContact CG2-CD1 4.39Å; I131-F179 HydrophobicContact CG2-CG 4.43Å; I131-Y180 WeakPolarHBondContact CD1-O 3.15Å; I131-Y180 WeakPolarHBondContact CG1-O 3.36Å
132E88.4Confident91.5Very high74 Ų748.7 Ų8.735%0.3464%0.043SC..Iπ-helixtrans-71.8-37-170.2-67.9167.6-162.200112.7K5 H7 S128 P137K5-E132 IonicContact NZ-OE1 2.8Å; K5-E132 PolarHBondContact NZ-OE1 2.9Å; H7-E132 IonicContact CE1-OE1 3.46Å; H7-E132 PolarHBondContact CE1-OE1 3.49Å; H7-E132 WeakPolarHBondContact ND1-CG 3.44Å; H7-E132 IonicContact ND1-OE1 3.61Å; H7-E132 PolarHBondContact ND1-OE1 3.34Å; S128-E132 WeakPolarHBondContact O-CB 3.49Å; S128-E132 VanDerWaalsContact O-CG 3.28Å; S128-E132 WeakPolarHBondContact O-CG 3.29Å; S128-E132 PolarHBondContact O-N 2.75Å; E132-P137 WeakPolarHBondContact O-CD 3.36Å
133Q84.3Confident90.9Very high14 Ų148.5 Ų8.57%0.0654%0.042CC..Iπ-helixtrans-112-3.6-169.4-55.7-169.322.300114.4F41 E49 T129F41-Q133 HydrophobicContact CD2-CB 4.17Å; F41-Q133 HydrophobicContact CE2-CB 3.68Å; F41-Q133 HydrophobicContact CE2-CG 4.41Å; F41-Q133 VanDerWaalsContact CE2-OE1 3.28Å; E49-Q133 PolarHBondContact O-NE2 3.46Å; T129-Q133 HydrophobicContact CG2-CB 4.46Å; T129-Q133 HydrophobicContact CG2-CG 4.11Å; T129-Q133 VanDerWaalsContact O-CB 3.25Å; T129-Q133 WeakPolarHBondContact O-CB 3.42Å; T129-Q133 PolarHBondContact O-N 2.92Å
134L87.2Confident89.7Confident4 Ų411.3 Ų11.32%0.0216%0.055CC..Iπ-helixtrans-129.3-60.3174.8-174.570.9000111.9L36 G73 L74 A106 V130 P137 N138L36-L134 HydrophobicContact CB-CD1 3.93Å; L36-L134 HydrophobicContact CD1-CD1 4.44Å; G73-L134 WeakPolarHBondContact O-CD2 3.35Å; L74-L134 HydrophobicContact CD2-CD2 4.35Å; A106-L134 HydrophobicContact CB-CD2 4.16Å; A106-L134 HydrophobicContact CB-CG 4.46Å; V130-L134 HydrophobicContact CG1-CD2 4.44Å; V130-L134 WeakPolarHBondContact O-CA 3.23Å; V130-L134 VanDerWaalsContact O-CB 3.26Å; V130-L134 WeakPolarHBondContact O-CB 3.47Å; V130-L134 PolarHBondContact O-N 2.84Å; L134-P137 WeakPolarHBondContact O-CD 3.39Å; L134-N138 WeakPolarHBondContact O-CB 3.44Å; L134-N138 PolarHBondContact O-N 3.19Å; L134-N138 PolarHBondContact O-ND2 3.06Å
135T93.1Very high88.2Confident0 Ų013.2 Ų13.20%06%0.064CC..Iπ-helixtrans-62.6-51.2-174.7-41.60000111.8G105 F123 V130 I131 N138 V139 F179G105-T135 PolarHBondContact O-OG1 3.09Å; F123-T135 HydrophobicContact CB-CG2 3.94Å; F123-T135 HydrophobicContact CD1-CG2 3.73Å; F123-T135 HydrophobicContact CE1-CG2 4.46Å; F123-T135 HydrophobicContact CG-CG2 3.94Å; V130-T135 PolarHBondContact O-N 2.83Å; V130-T135 PolarHBondContact O-OG1 3.44Å; I131-T135 HydrophobicContact CD1-CG2 4.43Å; I131-T135 PolarHBondContact O-N 2.95Å; T135-N138 PolarHBondContact O-N 3Å; T135-V139 WeakPolarHBondContact O-CG2 3.37Å; T135-V139 PolarHBondContact O-N 3.04Å; T135-F179 HydrophobicContact CG2-CD1 4.48Å; T135-F179 HydrophobicContact CG2-CE1 4.4Å
136V92.1Very high86.4Confident3 Ų315.5 Ų15.52%0.0188%0.076CC..Hα-helixtrans-60.4-51.4179.6167.60000111.7P9 L16 I131 N138 V139 I140 F179P9-V136 HydrophobicContact CB-CG1 4.44Å; L16-V136 HydrophobicContact CD1-CG1 4.21Å; I131-V136 HydrophobicContact CG2-CG2 4.28Å; I131-V136 WeakPolarHBondContact O-CB 3.32Å; I131-V136 VanDerWaalsContact O-CG2 3.28Å; I131-V136 WeakPolarHBondContact O-CG2 3.3Å; I131-V136 PolarHBondContact O-N 3.07Å; V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 2.86Å; V136-V139 PolarHBondContact O-N 2.94Å; V136-I140 HydrophobicContact CG1-CD1 3.69Å; V136-I140 HydrophobicContact CG1-CG1 4.47Å; V136-I140 VanDerWaalsContact O-CG1 3.29Å; V136-I140 WeakPolarHBondContact O-CG1 3.2Å; V136-I140 PolarHBondContact O-N 3.35Å; V136-F179 HydrophobicContact CB-CE1 4.47Å; V136-F179 HydrophobicContact CG2-CB 4.47Å; V136-F179 HydrophobicContact CG2-CD1 3.55Å; V136-F179 HydrophobicContact CG2-CD2 4.03Å; V136-F179 HydrophobicContact CG2-CE1 3.62Å; V136-F179 HydrophobicContact CG2-CE2 4.11Å; V136-F179 HydrophobicContact CG2-CG 3.75Å; V136-F179 HydrophobicContact CG2-CZ 3.91Å
137P89.1Confident84.8Confident0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-56.6-39.6174.5-19.822.5000114.1L16 L17 L36 E132 L134 I140 L141L16-P137 HydrophobicContact CB-CB 4.3Å; L16-P137 HydrophobicContact CB-CG 4.1Å; L16-P137 HydrophobicContact CD1-CG 3.99Å; L16-P137 HydrophobicContact CG-CG 4.46Å; L17-P137 HydrophobicContact CD2-CB 4.15Å; L36-P137 HydrophobicContact CD1-CB 3.57Å; L36-P137 HydrophobicContact CD1-CG 4.07Å; E132-P137 WeakPolarHBondContact O-CD 3.36Å; L134-P137 WeakPolarHBondContact O-CD 3.39Å; P137-I140 WeakPolarHBondContact O-CB 3.34Å; P137-I140 PolarHBondContact O-N 3.25Å; P137-L141 WeakPolarHBondContact O-CB 3.3Å; P137-L141 PolarHBondContact O-N 2.87Å
138N91.8Very high83.3Confident0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-65.7-41.8177.9-70.6-15.3000111.6F35 L36 A106 I111 L134 T135 V136 I140 L141 N142F35-N138 WeakPolarHBondContact CA-OD1 3.38Å; L36-N138 PolarHBondContact N-OD1 2.98Å; A106-N138 PolarHBondContact O-ND2 2.93Å; I111-N138 HydrophobicContact CD1-CB 3.74Å; L134-N138 WeakPolarHBondContact O-CB 3.44Å; L134-N138 PolarHBondContact O-N 3.19Å; L134-N138 PolarHBondContact O-ND2 3.06Å; T135-N138 PolarHBondContact O-N 3Å; V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 2.86Å; N138-I140 VanDerWaalsContact C-N 3.31Å; N138-I140 PolarHBondContact O-N 3.37Å; N138-L141 PolarHBondContact O-N 2.83Å; N138-N142 PolarHBondContact O-N 3.22Å; N138-N142 PolarHBondContact O-ND2 2.96Å
139V93.4Very high81.6Confident0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-61.6-43.3175175.10000110.6I111 L114 F123 T135 V136 N142 C143 M174 C177 F179I111-V139 HydrophobicContact CD1-CG2 4.11Å; I111-V139 HydrophobicContact CG1-CG2 3.76Å; L114-V139 HydrophobicContact CD2-CG1 4.04Å; F123-V139 HydrophobicContact CD2-CG2 4.5Å; F123-V139 HydrophobicContact CE1-CG2 4.15Å; F123-V139 HydrophobicContact CE2-CG2 3.87Å; F123-V139 HydrophobicContact CZ-CG2 3.66Å; T135-V139 WeakPolarHBondContact O-CG2 3.37Å; T135-V139 PolarHBondContact O-N 3.04Å; V136-V139 PolarHBondContact O-N 2.94Å; V139-N142 PolarHBondContact O-N 3.45Å; V139-C143 PolarHBondContact O-N 3.35Å; V139-C143 VanDerWaalsContact O-N 3.08Å; V139-C143 PolarHBondContact O-SG 3.29Å; V139-M174 HydrophobicContact CB-SD 4.42Å; V139-M174 HydrophobicContact CG1-SD 3.58Å; V139-M174 VanDerWaalsContact CG1-SD 3.58Å; V139-C177 HydrophobicContact CG1-CB 4.45Å; V139-F179 HydrophobicContact CB-CE1 4.49Å; V139-F179 HydrophobicContact CB-CZ 4.27Å; V139-F179 HydrophobicContact CG1-CZ 4.26Å; V139-F179 HydrophobicContact CG2-CE1 3.99Å; V139-F179 HydrophobicContact CG2-CZ 4.19Å
140I88.8Confident80Confident2 Ų227.6 Ų27.61%0.0114%0.143CC..Hα-helixtrans-58.8-50.8177.4-74167.8000111.2P13 L16 L17 V136 P137 N138 N142 C143 E144 L168 M174P13-I140 HydrophobicContact CB-CD1 3.74Å; P13-I140 HydrophobicContact CB-CG2 4.26Å; L16-I140 HydrophobicContact CD1-CD1 4.25Å; L17-I140 HydrophobicContact CD1-CG2 3.95Å; L17-I140 HydrophobicContact CG-CG2 4.48Å; V136-I140 HydrophobicContact CG1-CD1 3.69Å; V136-I140 HydrophobicContact CG1-CG1 4.47Å; V136-I140 VanDerWaalsContact O-CG1 3.29Å; V136-I140 WeakPolarHBondContact O-CG1 3.2Å; V136-I140 PolarHBondContact O-N 3.35Å; P137-I140 WeakPolarHBondContact O-CB 3.34Å; P137-I140 PolarHBondContact O-N 3.25Å; N138-I140 VanDerWaalsContact C-N 3.31Å; N138-I140 PolarHBondContact O-N 3.37Å; I140-N142 PolarHBondContact O-N 3.31Å; I140-C143 WeakPolarHBondContact O-CB 3.21Å; I140-C143 PolarHBondContact O-N 3.25Å; I140-E144 PolarHBondContact O-N 3.45Å; I140-E144 VanDerWaalsContact O-N 3.14Å; I140-L168 HydrophobicContact CB-CD2 3.86Å; I140-L168 HydrophobicContact CD1-CD2 4.33Å; I140-L168 HydrophobicContact CG1-CD2 3.71Å; I140-L168 HydrophobicContact CG2-CD2 3.24Å; I140-M174 HydrophobicContact CD1-CE 4.45Å; I140-M174 HydrophobicContact CG1-CE 3.88Å; I140-M174 HydrophobicContact CG1-SD 3.86Å
141L88.1Confident78.1Confident28 Ų2831.8 Ų31.815%0.14716%0.161CC..Hα-helixtrans-54.9-37.6179.6-179.664.8000112.4L17 F22 H34 P137 N138L17-L141 HydrophobicContact CD2-CB 4.44Å; F22-L141 HydrophobicContact CB-CD2 4.31Å; F22-L141 HydrophobicContact CD1-CD1 4.11Å; F22-L141 HydrophobicContact CD1-CD2 3.29Å; F22-L141 HydrophobicContact CD1-CG 4.33Å; F22-L141 HydrophobicContact CE1-CD1 4.06Å; F22-L141 HydrophobicContact CE1-CD2 3.77Å; F22-L141 HydrophobicContact CE1-CG 4.49Å; F22-L141 HydrophobicContact CG-CD1 4.44Å; F22-L141 HydrophobicContact CG-CD2 3.98Å; F22-L141 HydrophobicContact CZ-CD1 4.41Å; H34-L141 HydrophobicContact CB-CD2 3.41Å; H34-L141 VanDerWaalsContact CB-CD2 3.41Å; H34-L141 HydrophobicContact CB-CG 3.68Å; P137-L141 WeakPolarHBondContact O-CB 3.3Å; P137-L141 PolarHBondContact O-N 2.87Å; N138-L141 PolarHBondContact O-N 2.83Å
142N91.1Very high76Confident1 Ų138.9 Ų38.91%0.00519%0.194CC..Hα-helixtrans-83.6-14.4179.3-75.1-86.1000113.8H34 I111 K115 N138 V139 I140H34-N142 PolarHBondContact N-OD1 3.36Å; H34-N142 PolarHBondContact O-ND2 2.81Å; I111-N142 HydrophobicContact CG2-CB 3.63Å; I111-N142 VanDerWaalsContact CG2-CG 3.48Å; K115-N142 WeakPolarHBondContact CE-O 3.29Å; K115-N142 WeakPolarHBondContact CE-OD1 3.48Å; N138-N142 PolarHBondContact O-N 3.22Å; N138-N142 PolarHBondContact O-ND2 2.96Å; V139-N142 PolarHBondContact O-N 3.45Å; I140-N142 PolarHBondContact O-N 3.31Å
143C85.6Confident74.1Confident0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-81.2-38.1172.5-70.60000111.8V139 I140 D146 L173V139-C143 PolarHBondContact O-N 3.35Å; V139-C143 VanDerWaalsContact O-N 3.08Å; V139-C143 PolarHBondContact O-SG 3.29Å; I140-C143 WeakPolarHBondContact O-CB 3.21Å; I140-C143 PolarHBondContact O-N 3.25Å; C143-D146 PolarHBondContact O-N 3.3Å; C143-L173 VanDerWaalsContact SG-CB 3.56Å
144E73.3Confident72.5Confident59 Ų5948.8 Ų48.828%0.27625%0.249SC..Hα-helixtrans-68.7-32.1-177.8-68-174.1175.800113.3I140 D147 E148 L168I140-E144 PolarHBondContact O-N 3.45Å; I140-E144 VanDerWaalsContact O-N 3.14Å; E144-D147 WeakPolarHBondContact O-CB 3.41Å; E144-D147 PolarHBondContact O-N 3Å; E144-E148 PolarHBondContact O-N 3.16Å; E144-L168 HydrophobicContact CG-CD1 4.2Å; E144-L168 HydrophobicContact CG-CD2 4.5Å
145E67.2Low70.5Confident41 Ų4153 Ų5319%0.19227%0.267CS..Hα-helixtrans-64.7-40.5177.7-167.1-154.3160.700112.2H34 K115 D147 E148 K149H34-E145 IonicContact CD2-OE2 3.5Å; H34-E145 PolarHBondContact CD2-OE2 2.99Å; H34-E145 VanDerWaalsContact NE2-CD 3.25Å; H34-E145 IonicContact NE2-OE1 2.74Å; H34-E145 IonicContact NE2-OE2 3.59Å; H34-E145 PolarHBondContact NE2-OE2 3.32Å; K115-E145 IonicContact NZ-OE2 3.59Å; K115-E145 PolarHBondContact NZ-OE2 3.35Å; E145-D147 VanDerWaalsContact C-N 3.25Å; E145-D147 PolarHBondContact O-N 2.77Å; E145-E148 PolarHBondContact O-N 3.06Å; E145-K149 PolarHBondContact O-N 3.12Å; E145-K149 VanDerWaalsContact O-N 3.16Å; E145-K149 WeakPolarHBondContact OE1-CE 3.48Å; E145-K149 IonicContact OE1-NZ 3.16Å; E145-K149 PolarHBondContact OE1-NZ 2.91Å
146D60.9Low68.3Low57 Ų5758.4 Ų58.431%0.30531%0.306SS..Hα-helixtrans-64.6-33.7178.6-73.6-14.7000111C143 G150 L173C143-D146 PolarHBondContact O-N 3.3Å; D146-G150 PolarHBondContact O-N 2.89Å; D146-G150 VanDerWaalsContact O-N 3.14Å; D146-L173 HydrophobicContact CB-CD1 4.44Å; D146-L173 WeakPolarHBondContact OD2-CD1 3.39Å
147D59.6Low66.1Low62 Ų6262.4 Ų62.433%0.33235%0.348SS..Hα-helixtrans-68.5-35.8176.3-95.6-7.2000113.2E144 E145 K151 H171E144-D147 WeakPolarHBondContact O-CB 3.41Å; E144-D147 PolarHBondContact O-N 3Å; E145-D147 VanDerWaalsContact C-N 3.25Å; E145-D147 PolarHBondContact O-N 2.77Å; D147-K151 WeakPolarHBondContact O-CG 3.47Å; D147-K151 PolarHBondContact O-N 2.95Å; D147-H171 VanDerWaalsContact CG-NE2 3.26Å; D147-H171 IonicContact OD1-CD2 3.09Å; D147-H171 IonicContact OD1-NE2 2.65Å; D147-H171 PolarHBondContact OD1-NE2 3.3Å; D147-H171 IonicContact OD2-CD2 3.58Å; D147-H171 PolarHBondContact OD2-CD2 2.89Å; D147-H171 VanDerWaalsContact OD2-CD2 3.22Å; D147-H171 IonicContact OD2-NE2 3.45Å; D147-H171 PolarHBondContact OD2-NE2 2.83Å; D147-H171 VanDerWaalsContact OD2-NE2 3.16Å
148E57.7Low63.7Low97 Ų9766 Ų6645%0.45337%0.373SS..Hα-helixtrans-75.1-38.8177.8-73.2-62.212200111.8E144 E145 G150 K151 E152E144-E148 PolarHBondContact O-N 3.16Å; E145-E148 PolarHBondContact O-N 3.06Å; E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.24Å; E148-K151 PolarHBondContact O-N 2.79Å; E148-K151 IonicContact OE1-NZ 2.87Å; E148-K151 PolarHBondContact OE1-NZ 3.47Å; E148-E152 PolarHBondContact O-N 2.68Å
149K55.3Low61.3Low97 Ų9771.4 Ų71.442%0.42241%0.408SS..Hα-helixtrans-60-42.7172.3-78.6173.2172.1162.30112.2E145 K151 E152 D153E145-K149 PolarHBondContact O-N 3.12Å; E145-K149 VanDerWaalsContact O-N 3.16Å; E145-K149 WeakPolarHBondContact OE1-CE 3.48Å; E145-K149 IonicContact OE1-NZ 3.16Å; E145-K149 PolarHBondContact OE1-NZ 2.91Å; K149-K151 PolarHBondContact O-N 3.02Å; K149-E152 PolarHBondContact O-N 2.73Å; K149-D153 PolarHBondContact O-N 3.45Å
150G52.5Low58.8Low40 Ų4076.5 Ų76.541%0.41244%0.441SS..Hα-helixtrans-63.9-20.4175.100000114.5D146 E148D146-G150 PolarHBondContact O-N 2.89Å; D146-G150 VanDerWaalsContact O-N 3.14Å; E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.24Å
151K48.5Very low56.6Low89 Ų8981.2 Ų81.239%0.38747%0.471SS..Hα-helixtrans-92.5-25.1174.8-69.3172.9-156.7155.90113.3D147 E148 K149 D153 L154 K155D147-K151 WeakPolarHBondContact O-CG 3.47Å; D147-K151 PolarHBondContact O-N 2.95Å; E148-K151 PolarHBondContact O-N 2.79Å; E148-K151 IonicContact OE1-NZ 2.87Å; E148-K151 PolarHBondContact OE1-NZ 3.47Å; K149-K151 PolarHBondContact O-N 3.02Å; K151-D153 VanDerWaalsContact C-N 3.33Å; K151-L154 PolarHBondContact O-N 2.9Å; K151-K155 PolarHBondContact O-N 3.47Å
152E47.8Very low54.4Low148 Ų14889.5 Ų89.569%0.69251%0.506SS*.Hα-helixtrans-67.1-34.5175.7-76.9-172.9162.300111.8E148 K149 L154E148-E152 PolarHBondContact O-N 2.68Å; K149-E152 PolarHBondContact O-N 2.73Å; E152-L154 PolarHBondContact O-N 2.88Å
153D49.5Very low52.4Low150 Ų15098.4 Ų98.480%0.80255%0.545SS*.THydrogen-bonded Turntrans-65.1-7.1172.1-72.2-25.5000113.7K149 K151K149-D153 PolarHBondContact O-N 3.45Å; K151-D153 VanDerWaalsContact C-N 3.33Å
154L50.2Low50.4Low146 Ų146109.3 Ų109.376%0.76459%0.586SS**THydrogen-bonded Turntrans-1220.9-173.7-77.8164.1000115.2K151 E152K151-L154 PolarHBondContact O-N 2.9Å; E152-L154 PolarHBondContact O-N 2.88Å
155K45Very low49.2Very low92 Ų92110 Ų11040%0.460%0.602SS.*  trans-103.992.8-175.3-79-177.7-175166.80114.5K151K151-K155 PolarHBondContact O-N 3.47Å
156S46.9Very low48.5Very low115 Ų115112.7 Ų112.780%0.80462%0.621SS**SBendtrans-78.9106.1143.4630000110.2S158S156-S158 PolarHBondContact O-N 2.67Å
157G46.3Very low48.5Very low87 Ų87112.8 Ų112.890%0.89762%0.622SS**SBendtrans75.113.914300000121.7
158S38.7Very low48.6Very low75 Ų75110.2 Ų110.252%0.52461%0.608SS.*  trans-112.3144.3173.960.60000113.5S156S156-S158 PolarHBondContact O-N 2.67Å
159P41.9Very low48.6Very low113 Ų113108.2 Ų108.273%0.73460%0.604SS**PPolyproline II helixtrans-58151.8179.6-16.828.3000112.1
160P40.5Very low48.9Very low108 Ų108109.7 Ų109.770%0.70161%0.611SS**PPolyproline II helixtrans-62.2129.3179.624.7-30.6000109.9
161P41.2Very low49.9Very low100 Ų100108.5 Ų108.565%0.64960%0.595SS**PPolyproline II helixtrans-64.9138.5173.726.5-30.5000108.9K163P161-K163 PolarHBondContact O-N 2.94Å
162K42.3Very low51.3Low202 Ų202108.6 Ų108.688%0.87860%0.604SS**PPolyproline II helixtrans-50.4123.2170.4-67.5-179177.1-177.50108.4R164K162-R164 PolarHBondContact O-N 3.24Å
163K48.5Very low52.9Low189 Ų189102.8 Ų102.882%0.82258%0.578SS**  trans-48.7103.9178.2-69.4-174.4176.6-169.20108.6P161P161-K163 PolarHBondContact O-N 2.94Å
164R44.2Very low54.6Low229 Ų22996 Ų9686%0.86454%0.541SS*.  trans-80.3123.3162.4-92.7179.6170.2168-2.9104.4K162 T166K162-R164 PolarHBondContact O-N 3.24Å; R164-T166 PolarHBondContact O-N 3.24Å
165A47.9Very low56.4Low73 Ų7397 Ų9760%0.60354%0.535SS*.  trans-53.191.5168.200000108.5D167A165-D167 PolarHBondContact O-N 3.47Å
166T53.7Low58.7Low98 Ų9895.8 Ų95.860%0.60153%0.53SS*.  trans-71.7120.8169.938.20000105.5R164 L168R164-T166 PolarHBondContact O-N 3.24Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 3.21Å
167D60.9Low61Low58 Ų5890.7 Ų90.731%0.3149%0.494SS..  trans-49.699174.4174.27.9000109.7A165 S169 K170A165-D167 PolarHBondContact O-N 3.47Å; D167-S169 VanDerWaalsContact CG-OG 3.26Å; D167-S169 PolarHBondContact O-N 2.88Å; D167-S169 VanDerWaalsContact OD1-CB 3.31Å; D167-S169 WeakPolarHBondContact OD1-CB 3.12Å; D167-S169 PolarHBondContact OD1-N 3.35Å; D167-S169 PolarHBondContact OD1-OG 3.43Å; D167-S169 PolarHBondContact OD2-OG 3.06Å; D167-K170 HydrophobicContact CB-CD 4.3Å; D167-K170 HydrophobicContact CB-CG 4.44Å; D167-K170 WeakPolarHBondContact O-CA 3.31Å; D167-K170 VanDerWaalsContact O-CB 3.26Å; D167-K170 WeakPolarHBondContact O-CB 3.31Å; D167-K170 PolarHBondContact O-N 2.83Å; D167-K170 WeakPolarHBondContact OD2-CE 3.34Å; D167-K170 IonicContact OD2-NZ 2.7Å; D167-K170 PolarHBondContact OD2-NZ 2.65Å
168L61.3Low63.4Low9 Ų988.3 Ų88.35%0.04746%0.46CS..G310 helixtrans-73.4-14.7-168-149.480.2000111.5P13 I140 E144 T166 K170 H171P13-L168 HydrophobicContact CB-CB 4.49Å; P13-L168 HydrophobicContact CB-CD2 4.11Å; P13-L168 HydrophobicContact CG-CB 3.68Å; P13-L168 HydrophobicContact CG-CD2 3.95Å; P13-L168 HydrophobicContact CG-CG 4.42Å; I140-L168 HydrophobicContact CB-CD2 3.86Å; I140-L168 HydrophobicContact CD1-CD2 4.33Å; I140-L168 HydrophobicContact CG1-CD2 3.71Å; I140-L168 HydrophobicContact CG2-CD2 3.24Å; E144-L168 HydrophobicContact CG-CD1 4.2Å; E144-L168 HydrophobicContact CG-CD2 4.5Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 3.21Å; L168-K170 PolarHBondContact O-N 3.08Å; L168-K170 VanDerWaalsContact O-N 3.16Å; L168-H171 HydrophobicContact CD1-CB 4.4Å; L168-H171 HydrophobicContact CG-CB 4.22Å; L168-H171 WeakPolarHBondContact O-CB 3.41Å; L168-H171 PolarHBondContact O-N 3.09Å
169S57.7Low66.2Low54 Ų5484.8 Ų84.838%0.37844%0.436SS..G310 helixtrans-60.1-19.7165.280.60000112.3D167D167-S169 VanDerWaalsContact CG-OG 3.26Å; D167-S169 PolarHBondContact O-N 2.88Å; D167-S169 VanDerWaalsContact OD1-CB 3.31Å; D167-S169 WeakPolarHBondContact OD1-CB 3.12Å; D167-S169 PolarHBondContact OD1-N 3.35Å; D167-S169 PolarHBondContact OD1-OG 3.43Å; D167-S169 PolarHBondContact OD2-OG 3.06Å
170K62.3Low68.9Low128 Ų12879.4 Ų79.456%0.55740%0.401SS*.G310 helixtrans-92.2-4.8173.6-61.2-179.8173.6115.50113.5D167 L168D167-K170 HydrophobicContact CB-CD 4.3Å; D167-K170 HydrophobicContact CB-CG 4.44Å; D167-K170 WeakPolarHBondContact O-CA 3.31Å; D167-K170 VanDerWaalsContact O-CB 3.26Å; D167-K170 WeakPolarHBondContact O-CB 3.31Å; D167-K170 PolarHBondContact O-N 2.83Å; D167-K170 WeakPolarHBondContact OD2-CE 3.34Å; D167-K170 IonicContact OD2-NZ 2.7Å; D167-K170 PolarHBondContact OD2-NZ 2.65Å; L168-K170 PolarHBondContact O-N 3.08Å; L168-K170 VanDerWaalsContact O-N 3.16Å
171H72.5Confident71.6Confident16 Ų1674.3 Ų74.37%0.07437%0.368CS..  trans-62.4129.4179.3-169.6-93.6000110.2D147 L168 L173 M174 R175D147-H171 VanDerWaalsContact CG-NE2 3.26Å; D147-H171 IonicContact OD1-CD2 3.09Å; D147-H171 IonicContact OD1-NE2 2.65Å; D147-H171 PolarHBondContact OD1-NE2 3.3Å; D147-H171 IonicContact OD2-CD2 3.58Å; D147-H171 PolarHBondContact OD2-CD2 2.89Å; D147-H171 VanDerWaalsContact OD2-CD2 3.22Å; D147-H171 IonicContact OD2-NE2 3.45Å; D147-H171 PolarHBondContact OD2-NE2 2.83Å; D147-H171 VanDerWaalsContact OD2-NE2 3.16Å; L168-H171 HydrophobicContact CD1-CB 4.4Å; L168-H171 HydrophobicContact CG-CB 4.22Å; L168-H171 WeakPolarHBondContact O-CB 3.41Å; L168-H171 PolarHBondContact O-N 3.09Å; H171-L173 WeakPolarHBondContact ND1-CB 3.47Å; H171-L173 PolarHBondContact ND1-N 3.43Å; H171-L173 PolarHBondContact O-N 3.3Å; H171-M174 HydrophobicContact CB-CB 4.14Å; H171-M174 HydrophobicContact CB-CG 4.02Å; H171-M174 PolarHBondContact O-N 2.96Å; H171-R175 PolarHBondContact O-N 2.78Å
172P77.1Confident74.3Confident90 Ų9069.5 Ų69.558%0.58434%0.337SS*.THydrogen-bonded Turntrans-56.5-35.5-174-27.535000114.1
173L81.6Confident76.9Confident27 Ų2760 Ų6014%0.14130%0.296CS..THydrogen-bonded Turntrans-72-38.9176.7-63.5-176.5000112.3L114 C143 D146 H171 R175 K176L114-L173 HydrophobicContact CD1-CB 4.18Å; L114-L173 HydrophobicContact CD1-CD2 4.14Å; L114-L173 HydrophobicContact CD2-CB 4.32Å; L114-L173 HydrophobicContact CG-CB 4.48Å; C143-L173 VanDerWaalsContact SG-CB 3.56Å; D146-L173 HydrophobicContact CB-CD1 4.44Å; D146-L173 WeakPolarHBondContact OD2-CD1 3.39Å; H171-L173 WeakPolarHBondContact ND1-CB 3.47Å; H171-L173 PolarHBondContact ND1-N 3.43Å; H171-L173 PolarHBondContact O-N 3.3Å; L173-R175 PolarHBondContact O-N 3.37Å; L173-K176 HydrophobicContact CD2-CD 4.39Å; L173-K176 WeakPolarHBondContact O-CB 3.38Å; L173-K176 PolarHBondContact O-N 3.46Å
174M85.7Confident79.2Confident7 Ų752.5 Ų52.53%0.03426%0.262CS..G310 helixtrans-62.4-33178.3-75.9-61-64.300112.2P9 V139 I140 H171 K176 C177 F179P9-M174 HydrophobicContact CB-CE 3.77Å; P9-M174 HydrophobicContact CG-CE 3.58Å; V139-M174 HydrophobicContact CB-SD 4.42Å; V139-M174 HydrophobicContact CG1-SD 3.58Å; V139-M174 VanDerWaalsContact CG1-SD 3.58Å; I140-M174 HydrophobicContact CD1-CE 4.45Å; I140-M174 HydrophobicContact CG1-CE 3.88Å; I140-M174 HydrophobicContact CG1-SD 3.86Å; H171-M174 HydrophobicContact CB-CB 4.14Å; H171-M174 HydrophobicContact CB-CG 4.02Å; H171-M174 PolarHBondContact O-N 2.96Å; M174-K176 PolarHBondContact O-N 3.48Å; M174-C177 PolarHBondContact O-N 3.09Å; M174-F179 HydrophobicContact CE-CE2 4.15Å; M174-F179 HydrophobicContact CE-CZ 4.24Å
175R87.9Confident81.8Confident167 Ų16747.4 Ų47.463%0.6324%0.243SC*.G310 helixtrans-66.1-16.3175.9-67.2-179.5179.7173.63114H171 L173 C177H171-R175 PolarHBondContact O-N 2.78Å; L173-R175 PolarHBondContact O-N 3.37Å; R175-C177 VanDerWaalsContact C-N 3.35Å
176K93.6Very high84.2Confident66 Ų6644.9 Ų44.929%0.28722%0.22SC..G310 helixtrans-85.8-11.1175.4-57.6179.8178.9-179.40112.3L114 R119 Q120 I121 L173 M174L114-K176 HydrophobicContact CD1-CB 4.13Å; L114-K176 HydrophobicContact CD1-CD 4.07Å; R119-K176 WeakPolarHBondContact O-CG 3.37Å; Q120-K176 CarbonylContact C-O 3.59Å; Q120-K176 VanDerWaalsContact CA-O 3.32Å; Q120-K176 WeakPolarHBondContact CA-O 3.43Å; Q120-K176 WeakPolarHBondContact CG-O 3.38Å; I121-K176 HydrophobicContact CD1-CB 4.3Å; I121-K176 PolarHBondContact N-O 2.98Å; L173-K176 HydrophobicContact CD2-CD 4.39Å; L173-K176 WeakPolarHBondContact O-CB 3.38Å; L173-K176 PolarHBondContact O-N 3.46Å; M174-K176 PolarHBondContact O-N 3.48Å
177C95.9Very high86.3Confident9 Ų940.2 Ų40.26%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-100.6130.9-173-59.70000110.8I121 F123 V139 M174 R175 F179I121-C177 CarbonylContact O-C 3.54Å; I121-C177 WeakPolarHBondContact O-CA 3.39Å; F123-C177 HydrophobicContact CD2-CB 4.44Å; F123-C177 HydrophobicContact CE2-CB 4.09Å; V139-C177 HydrophobicContact CG1-CB 4.45Å; M174-C177 PolarHBondContact O-N 3.09Å; R175-C177 VanDerWaalsContact C-N 3.35Å; C177-F179 HydrophobicContact CB-CE1 4.47Å; C177-F179 HydrophobicContact CB-CE2 3.69Å; C177-F179 HydrophobicContact CB-CZ 3.6Å
178L96.9Very high88.1Confident36 Ų3637.9 Ų37.919%0.18818%0.179CC..EExtended strand (participates in β ladder)trans-117.6138.9172.7-58.8176.6000108.8Q120 I121 L122 F123 Y180Q120-L178 HydrophobicContact CG-CD1 4.3Å; I121-L178 PolarHBondContact O-N 3.26Å; L122-L178 CarbonylContact C-O 3.57Å; L122-L178 WeakPolarHBondContact CA-O 3.36Å; L122-L178 HydrophobicContact CB-CB 4.41Å; L122-L178 HydrophobicContact CG-CB 4.11Å; F123-L178 PolarHBondContact N-O 2.77Å; L178-Y180 HydrophobicContact CB-CE2 4.01Å
179F97.8Very high89.8Confident1 Ų140.7 Ų40.70%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-124.6127.7-171.9-60.1-82000111E6 H7 P9 F123 I131 T135 V136 V139 M174 C177E6-F179 WeakPolarHBondContact CA-O 3.4Å; H7-F179 HydrophobicContact CB-CB 4Å; H7-F179 PolarHBondContact N-O 2.78Å; P9-F179 HydrophobicContact CG-CD2 4.27Å; P9-F179 HydrophobicContact CG-CE2 3.93Å; F123-F179 HydrophobicContact CB-CD1 3.95Å; F123-F179 HydrophobicContact CB-CE1 4.37Å; F123-F179 HydrophobicContact CD2-CD1 4.03Å; F123-F179 AromaticContact CD2-CE1 3.71Å; F123-F179 HydrophobicContact CD2-CE1 3.71Å; F123-F179 HydrophobicContact CD2-CZ 4.38Å; F123-F179 HydrophobicContact CE2-CE1 4.28Å; F123-F179 HydrophobicContact CG-CD1 4.25Å; F123-F179 HydrophobicContact CG-CE1 4.17Å; I131-F179 HydrophobicContact CG2-CB 3.75Å; I131-F179 HydrophobicContact CG2-CD1 4.39Å; I131-F179 HydrophobicContact CG2-CG 4.43Å; T135-F179 HydrophobicContact CG2-CD1 4.48Å; T135-F179 HydrophobicContact CG2-CE1 4.4Å; V136-F179 HydrophobicContact CB-CE1 4.47Å; V136-F179 HydrophobicContact CG2-CB 4.47Å; V136-F179 HydrophobicContact CG2-CD1 3.55Å; V136-F179 HydrophobicContact CG2-CD2 4.03Å; V136-F179 HydrophobicContact CG2-CE1 3.62Å; V136-F179 HydrophobicContact CG2-CE2 4.11Å; V136-F179 HydrophobicContact CG2-CG 3.75Å; V136-F179 HydrophobicContact CG2-CZ 3.91Å; V139-F179 HydrophobicContact CB-CE1 4.49Å; V139-F179 HydrophobicContact CB-CZ 4.27Å; V139-F179 HydrophobicContact CG1-CZ 4.26Å; V139-F179 HydrophobicContact CG2-CE1 3.99Å; V139-F179 HydrophobicContact CG2-CZ 4.19Å; M174-F179 HydrophobicContact CE-CE2 4.15Å; M174-F179 HydrophobicContact CE-CZ 4.24Å; C177-F179 HydrophobicContact CB-CE1 4.47Å; C177-F179 HydrophobicContact CB-CE2 3.69Å; C177-F179 HydrophobicContact CB-CZ 3.6Å
180Y98.1Very high91.7Very high1 Ų140.3 Ų40.30%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-134.2138.9-178.3-73.1-92.4000111.6K5 E6 L122 F123 Q124 D125 I131 L178 F187 L190 V191 K194K5-Y180 WeakPolarHBondContact O-CA 3.41Å; E6-Y180 HydrophobicContact CB-CD1 4.06Å; E6-Y180 HydrophobicContact CB-CE1 3.55Å; E6-Y180 HydrophobicContact CG-CE1 3.89Å; E6-Y180 HydrophobicContact CG-CE2 4.28Å; E6-Y180 PolarHBondContact OE1-OH 3.34Å; E6-Y180 PolarHBondContact OE2-OH 3.08Å; L122-Y180 HydrophobicContact CD1-CD2 3.75Å; L122-Y180 HydrophobicContact CD1-CE2 3.57Å; L122-Y180 HydrophobicContact CD2-CD2 3.62Å; L122-Y180 HydrophobicContact CD2-CE2 4.31Å; L122-Y180 HydrophobicContact CD2-CG 4.35Å; L122-Y180 HydrophobicContact CG-CD2 3.67Å; L122-Y180 HydrophobicContact CG-CE2 3.9Å; F123-Y180 PolarHBondContact O-N 2.68Å; Q124-Y180 VanDerWaalsContact CA-O 3.3Å; Q124-Y180 WeakPolarHBondContact CA-O 3.37Å; D125-Y180 PolarHBondContact N-O 2.84Å; I131-Y180 WeakPolarHBondContact CD1-O 3.15Å; I131-Y180 WeakPolarHBondContact CG1-O 3.36Å; L178-Y180 HydrophobicContact CB-CE2 4.01Å; Y180-F187 HydrophobicContact CD1-CD2 4.23Å; Y180-F187 HydrophobicContact CD1-CE2 4.21Å; Y180-F187 HydrophobicContact CD2-CE2 4.26Å; Y180-F187 HydrophobicContact CG-CD2 4.13Å; Y180-F187 AromaticContact CG-CE2 3.78Å; Y180-F187 HydrophobicContact CG-CE2 3.78Å; Y180-L190 HydrophobicContact CD1-CD2 3.85Å; Y180-L190 HydrophobicContact CE1-CD2 3.84Å; Y180-L190 HydrophobicContact CE1-CG 4.2Å; Y180-V191 HydrophobicContact CD1-CG2 4.31Å; Y180-V191 HydrophobicContact CE1-CG2 4.13Å; Y180-K194 WeakPolarHBondContact OH-CE 3.41Å; Y180-K194 PolarHBondContact OH-NZ 2.8Å
181S97.7Very high93.4Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-115.5161.316370.50000111.6A4 K5 H7 D125 S128A4-S181 CarbonylContact C-O 3.58Å; A4-S181 WeakPolarHBondContact CA-O 3.27Å; A4-S181 VanDerWaalsContact CB-O 3.28Å; A4-S181 WeakPolarHBondContact CB-O 3.23Å; K5-S181 PolarHBondContact N-O 3.23Å; K5-S181 PolarHBondContact O-N 2.95Å; H7-S181 PolarHBondContact CD2-N 2.88Å; H7-S181 PolarHBondContact CE1-OG 3.48Å; H7-S181 WeakPolarHBondContact NE2-CB 3.35Å; H7-S181 PolarHBondContact NE2-N 3.19Å; H7-S181 PolarHBondContact NE2-OG 3.3Å; D125-S181 CarbonylContact O-C 3.58Å; D125-S181 WeakPolarHBondContact O-CA 3.39Å; S128-S181 WeakPolarHBondContact CA-OG 3.46Å; S128-S181 PolarHBondContact OG-OG 2.9Å
182G96.4Very high94.5Very high0 Ų035.2 Ų35.20%017%0.17CC..SBendtrans134.4173.7170.400000114.5Q124 D125 Y126Q124-G182 PolarHBondContact NE2-O 2.89Å; D125-G182 PolarHBondContact O-N 3.36Å; Y126-G182 PolarHBondContact O-N 3.49Å
183D96.8Very high95.4Very high3 Ų338.6 Ų38.62%0.01618%0.176CC..  trans-68.4141.9171.5-169.7-76000110.2V1 K2 Y126 R185 T186 F187V1-D183 HydrophobicContact CG1-CB 3.65Å; K2-D183 HydrophobicContact CB-CB 4.45Å; K2-D183 WeakPolarHBondContact O-CB 3.35Å; K2-D183 PolarHBondContact O-N 3.17Å; Y126-D183 HydrophobicContact CD2-CB 4.38Å; Y126-D183 HydrophobicContact CE2-CB 4.01Å; D183-R185 PolarHBondContact O-N 3.35Å; D183-R185 VanDerWaalsContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 WeakPolarHBondContact OD1-CG 3.31Å; D183-R185 IonicContact OD1-CZ 3.75Å; D183-R185 PolarHBondContact OD1-N 3.19Å; D183-R185 IonicContact OD1-NE 3.45Å; D183-R185 PolarHBondContact OD1-NE 2.88Å; D183-R185 IonicContact OD1-NH2 2.89Å; D183-R185 IonicContact OD2-CZ 3.85Å; D183-R185 IonicContact OD2-NE 2.73Å; D183-R185 IonicContact OD2-NH2 3.6Å; D183-R185 PolarHBondContact OD2-NH2 2.89Å; D183-T186 PolarHBondContact O-N 3.14Å; D183-T186 PolarHBondContact O-OG1 2.73Å; D183-F187 WeakPolarHBondContact O-CB 3.46Å; D183-F187 PolarHBondContact O-N 2.94Å
184W98.1Very high95.9Very high30 Ų3040.6 Ų40.611%0.11418%0.183CC..Hα-helixtrans-53.4-31.9179.1-64.7-37.1000113.6Q124 T186 L188 T208 A217 L218Q124-W184 VanDerWaalsContact OE1-CD1 3.24Å; W184-T186 VanDerWaalsContact C-N 3.29Å; W184-T186 PolarHBondContact O-N 3.12Å; W184-L188 WeakPolarHBondContact O-CB 3.4Å; W184-L188 PolarHBondContact O-N 2.95Å; W184-T208 HydrophobicContact CH2-CG2 4.3Å; W184-T208 HydrophobicContact CZ2-CG2 4.11Å; W184-A217 HydrophobicContact CB-CB 4.2Å; W184-A217 HydrophobicContact CE3-CB 4.47Å; W184-L218 HydrophobicContact CE3-CB 3.83Å; W184-L218 HydrophobicContact CE3-CD1 4.39Å; W184-L218 HydrophobicContact CH2-CB 4.34Å; W184-L218 HydrophobicContact CH2-CD1 4.03Å; W184-L218 HydrophobicContact CH2-CD2 4.43Å; W184-L218 HydrophobicContact CH2-CG 4.5Å; W184-L218 HydrophobicContact CZ2-CD1 4.17Å; W184-L218 HydrophobicContact CZ3-CB 3.65Å; W184-L218 HydrophobicContact CZ3-CD1 4.13Å; W184-L218 HydrophobicContact CZ3-CD2 4.43Å; W184-L218 HydrophobicContact CZ3-CG 4.28Å
185R97.3Very high96.2Very high122 Ų12247.8 Ų47.846%0.4622%0.217SC..Hα-helixtrans-66.6-26.3177.7-66.5170.8-71.7-171.7-6.7114V1 D183 P189 A217V1-R185 HydrophobicContact CG1-CB 4.45Å; D183-R185 PolarHBondContact O-N 3.35Å; D183-R185 VanDerWaalsContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 WeakPolarHBondContact OD1-CG 3.31Å; D183-R185 IonicContact OD1-CZ 3.75Å; D183-R185 PolarHBondContact OD1-N 3.19Å; D183-R185 IonicContact OD1-NE 3.45Å; D183-R185 PolarHBondContact OD1-NE 2.88Å; D183-R185 IonicContact OD1-NH2 2.89Å; D183-R185 IonicContact OD2-CZ 3.85Å; D183-R185 IonicContact OD2-NE 2.73Å; D183-R185 IonicContact OD2-NH2 3.6Å; D183-R185 PolarHBondContact OD2-NH2 2.89Å; R185-P189 WeakPolarHBondContact O-CD 3.22Å; R185-P189 VanDerWaalsContact O-CG 3.31Å; R185-P189 WeakPolarHBondContact O-CG 3.44Å; R185-A217 HydrophobicContact CG-CB 3.75Å
186T97.9Very high96.4Very high21 Ų2145.4 Ų45.413%0.12922%0.223CC..Hα-helixtrans-101.4-31.217856.80000111V1 K2 A4 D183 W184 P189 L190V1-T186 HydrophobicContact CG1-CG2 3.77Å; K2-T186 PolarHBondContact O-OG1 3.07Å; A4-T186 WeakPolarHBondContact CB-OG1 3.37Å; A4-T186 PolarHBondContact N-OG1 3.14Å; A4-T186 VanDerWaalsContact N-OG1 3.14Å; D183-T186 PolarHBondContact O-N 3.14Å; D183-T186 PolarHBondContact O-OG1 2.73Å; W184-T186 VanDerWaalsContact C-N 3.29Å; W184-T186 PolarHBondContact O-N 3.12Å; T186-P189 WeakPolarHBondContact O-CD 3.43Å; T186-L190 WeakPolarHBondContact O-CB 3.15Å; T186-L190 PolarHBondContact O-N 2.81Å
187F98.3Very high96.5Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-61.7-48.5174.2164.5-106000112.1A4 L100 L102 L122 Q124 Y180 D183 L190 V191 T221 L225A4-F187 HydrophobicContact CB-CB 3.95Å; A4-F187 VanDerWaalsContact CB-N 3.3Å; L100-F187 HydrophobicContact CD1-CZ 4.41Å; L102-F187 HydrophobicContact CD1-CD1 4.46Å; L102-F187 HydrophobicContact CD1-CE1 3.91Å; L122-F187 HydrophobicContact CD2-CE2 3.86Å; L122-F187 HydrophobicContact CD2-CZ 3.8Å; Q124-F187 HydrophobicContact CB-CE1 4.48Å; Q124-F187 HydrophobicContact CB-CE2 3.96Å; Q124-F187 HydrophobicContact CB-CZ 3.95Å; Q124-F187 HydrophobicContact CG-CD1 4.04Å; Q124-F187 HydrophobicContact CG-CD2 3.65Å; Q124-F187 HydrophobicContact CG-CE1 3.99Å; Q124-F187 HydrophobicContact CG-CE2 3.58Å; Q124-F187 HydrophobicContact CG-CG 3.87Å; Q124-F187 HydrophobicContact CG-CZ 3.76Å; Y180-F187 HydrophobicContact CD1-CD2 4.23Å; Y180-F187 HydrophobicContact CD1-CE2 4.21Å; Y180-F187 HydrophobicContact CD2-CE2 4.26Å; Y180-F187 HydrophobicContact CG-CD2 4.13Å; Y180-F187 AromaticContact CG-CE2 3.78Å; Y180-F187 HydrophobicContact CG-CE2 3.78Å; D183-F187 WeakPolarHBondContact O-CB 3.46Å; D183-F187 PolarHBondContact O-N 2.94Å; F187-L190 WeakPolarHBondContact O-CB 3.28Å; F187-L190 PolarHBondContact O-N 2.74Å; F187-L190 VanDerWaalsContact O-N 3.13Å; F187-V191 HydrophobicContact CD2-CG2 3.68Å; F187-V191 HydrophobicContact CE1-CG2 4.4Å; F187-V191 HydrophobicContact CE2-CB 4.48Å; F187-V191 HydrophobicContact CE2-CG2 3.23Å; F187-V191 HydrophobicContact CG-CG2 4.44Å; F187-V191 HydrophobicContact CZ-CG2 3.65Å; F187-V191 WeakPolarHBondContact O-CG2 3.14Å; F187-V191 PolarHBondContact O-N 2.79Å; F187-T221 HydrophobicContact CD1-CG2 4.23Å; F187-T221 HydrophobicContact CE1-CG2 4.03Å; F187-L225 HydrophobicContact CE1-CD1 3.8Å; F187-L225 HydrophobicContact CZ-CD1 4.28Å
188L98.4Very high96.5Very high9 Ų947.7 Ų47.75%0.04724%0.236CC..Hα-helixtrans-60-51-176.9174.166.1000112.2W184 L190 V191 L192 E220 K224 L225W184-L188 WeakPolarHBondContact O-CB 3.4Å; W184-L188 PolarHBondContact O-N 2.95Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 2.72Å; L188-V191 PolarHBondContact O-N 3Å; L188-L192 HydrophobicContact CD1-CD1 3.72Å; L188-L192 HydrophobicContact CD1-CD2 4.47Å; L188-L192 HydrophobicContact CD1-CG 3.88Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 WeakPolarHBondContact O-CB 3.25Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.02Å; L188-L192 PolarHBondContact O-N 3.19Å; L188-E220 HydrophobicContact CD2-CB 4.49Å; L188-E220 HydrophobicContact CD2-CG 3.78Å; L188-K224 HydrophobicContact CD1-CB 3.7Å; L188-K224 HydrophobicContact CD1-CG 4.47Å; L188-K224 HydrophobicContact CD2-CB 4.14Å; L188-K224 HydrophobicContact CD2-CG 4.06Å; L188-K224 HydrophobicContact CG-CB 4.47Å; L188-L225 HydrophobicContact CD1-CD1 4.11Å; L188-L225 HydrophobicContact CD1-CD2 3.87Å; L188-L225 HydrophobicContact CD1-CG 3.75Å
189P98Very high96.5Very high67 Ų6750.3 Ų50.344%0.43525%0.246SC..Hα-helixtrans-59.6-35.5173.4-25.333.8000114R185 T186 K193R185-P189 WeakPolarHBondContact O-CD 3.22Å; R185-P189 VanDerWaalsContact O-CG 3.31Å; R185-P189 WeakPolarHBondContact O-CG 3.44Å; T186-P189 WeakPolarHBondContact O-CD 3.43Å; P189-K193 WeakPolarHBondContact O-CG 3.44Å; P189-K193 PolarHBondContact O-N 3.42Å
190L97.8Very high96.5Very high46 Ų4650.3 Ų50.324%0.24125%0.246CC..Hα-helixtrans-63.4-47177.5175.463.8000111.2A4 Y180 T186 F187 L188 K193A4-L190 HydrophobicContact CB-CB 4.46Å; A4-L190 HydrophobicContact CB-CD2 3.86Å; Y180-L190 HydrophobicContact CD1-CD2 3.85Å; Y180-L190 HydrophobicContact CE1-CD2 3.84Å; Y180-L190 HydrophobicContact CE1-CG 4.2Å; T186-L190 WeakPolarHBondContact O-CB 3.15Å; T186-L190 PolarHBondContact O-N 2.81Å; F187-L190 WeakPolarHBondContact O-CB 3.28Å; F187-L190 PolarHBondContact O-N 2.74Å; F187-L190 VanDerWaalsContact O-N 3.13Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 2.72Å; L190-K193 WeakPolarHBondContact O-CB 3.3Å; L190-K193 PolarHBondContact O-N 3.46Å
191V96.9Very high96.6Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-70.1-37.2-178.6171.80000111.9L122 Y180 F187 L188 K193 K194 P198 L225L122-V191 HydrophobicContact CD1-CG2 4.41Å; Y180-V191 HydrophobicContact CD1-CG2 4.31Å; Y180-V191 HydrophobicContact CE1-CG2 4.13Å; F187-V191 HydrophobicContact CD2-CG2 3.68Å; F187-V191 HydrophobicContact CE1-CG2 4.4Å; F187-V191 HydrophobicContact CE2-CB 4.48Å; F187-V191 HydrophobicContact CE2-CG2 3.23Å; F187-V191 HydrophobicContact CG-CG2 4.44Å; F187-V191 HydrophobicContact CZ-CG2 3.65Å; F187-V191 WeakPolarHBondContact O-CG2 3.14Å; F187-V191 PolarHBondContact O-N 2.79Å; L188-V191 PolarHBondContact O-N 3Å; V191-K193 PolarHBondContact O-N 3.31Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.13Å; V191-K194 VanDerWaalsContact O-N 3.13Å; V191-P198 HydrophobicContact CG1-CG 3.27Å; V191-L225 HydrophobicContact CG1-CD2 4.05Å
192L97.1Very high96.6Very high37 Ų3753.2 Ų53.219%0.19426%0.261CS..THydrogen-bonded Turntrans-71.7-7177.4-68-180000114.3L188 K194 Q197 K224 L225L188-L192 HydrophobicContact CD1-CD1 3.72Å; L188-L192 HydrophobicContact CD1-CD2 4.47Å; L188-L192 HydrophobicContact CD1-CG 3.88Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 WeakPolarHBondContact O-CB 3.25Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.02Å; L188-L192 PolarHBondContact O-N 3.19Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-Q197 HydrophobicContact CD2-CB 4.23Å; L192-Q197 HydrophobicContact CD2-CG 4.2Å; L192-Q197 PolarHBondContact O-NE2 3.46Å; L192-K224 HydrophobicContact CD1-CB 4.34Å; L192-L225 HydrophobicContact CD2-CD2 3.94Å
193K95.8Very high96.7Very high161 Ų16153.2 Ų53.270%0.726%0.261SS*.THydrogen-bonded Turntrans-75.1-15.9168.7-73.4168-175.21790112.9P189 L190 V191P189-K193 WeakPolarHBondContact O-CG 3.44Å; P189-K193 PolarHBondContact O-N 3.42Å; L190-K193 WeakPolarHBondContact O-CB 3.3Å; L190-K193 PolarHBondContact O-N 3.46Å; V191-K193 PolarHBondContact O-N 3.31Å
194K92.4Very high96.8Very high69 Ų6953.1 Ų53.130%0.326%0.261SS..SBendtrans-72.6140.7176.2-68.9-169.7164.9-176.70109.8E6 Y180 V191 L192 P196 Q197E6-K194 IonicContact OE1-NZ 2.96Å; E6-K194 PolarHBondContact OE1-NZ 3.12Å; E6-K194 WeakPolarHBondContact OE2-CE 3.42Å; E6-K194 IonicContact OE2-NZ 3.27Å; E6-K194 PolarHBondContact OE2-NZ 3.47Å; Y180-K194 WeakPolarHBondContact OH-CE 3.41Å; Y180-K194 PolarHBondContact OH-NZ 2.8Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.13Å; V191-K194 VanDerWaalsContact O-N 3.13Å; L192-K194 VanDerWaalsContact C-N 3.27Å; K194-P196 CarbonylContact O-C 3.5Å; K194-P196 VanDerWaalsContact O-C 3.23Å; K194-Q197 WeakPolarHBondContact O-CA 3.06Å; K194-Q197 PolarHBondContact O-N 3.46Å
195E91.2Very high96.8Very high159 Ų15951.7 Ų51.774%0.74326%0.255SS*.SBendtrans-118.7123.3178.3-70.6-64.6168.700110.2
196P92.4Very high96.8Very high116 Ų11646.4 Ų46.475%0.75324%0.237SC*.SBendcis-67.8154.6-5.630.9-35.7000112.2K194K194-P196 CarbonylContact O-C 3.5Å; K194-P196 VanDerWaalsContact O-C 3.23Å
197Q94.6Very high96.6Very high101 Ų10146 Ų4647%0.47223%0.233SC..PPolyproline II helixtrans-57.8129.6174.5-71-176.7-2.700110.6L192 K194L192-Q197 HydrophobicContact CD2-CB 4.23Å; L192-Q197 HydrophobicContact CD2-CG 4.2Å; L192-Q197 PolarHBondContact O-NE2 3.46Å; K194-Q197 WeakPolarHBondContact O-CA 3.06Å; K194-Q197 PolarHBondContact O-N 3.46Å
198P95.6Very high96.5Very high23 Ų2346.4 Ų46.415%0.14924%0.236CC..PPolyproline II helixtrans-71.2144.3-174.227.5-32.7000111.3V191 F200 L225V191-P198 HydrophobicContact CG1-CG 3.27Å; P198-F200 HydrophobicContact CB-CE2 4.27Å; P198-F200 HydrophobicContact CB-CZ 4.25Å; P198-L225 HydrophobicContact CG-CD2 4.48Å
199K97.9Very high96.4Very high91 Ų9146 Ų4640%0.39623%0.234SC..  trans-129.6139.9171.5-67.1-62.5-169.9171.30109.3T98 K224 L225 L226T98-K199 PolarHBondContact OG1-O 3.22Å; K199-K224 PolarHBondContact NZ-O 2.67Å; K199-L225 CarbonylContact C-O 3.59Å; K199-L225 WeakPolarHBondContact CA-O 3.28Å; K199-L226 PolarHBondContact NZ-O 2.99Å
200F98.6Very high96.1Very high1 Ų143.8 Ų43.80%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-110.7133.2-177.4-60.4-81.8000110.9T98 V99 L100 L122 P198 I202 I203 L225 G227T98-F200 WeakPolarHBondContact OG1-CA 3.39Å; V99-F200 VanDerWaalsContact C-CD1 3.42Å; L100-F200 HydrophobicContact CB-CB 4.28Å; L100-F200 HydrophobicContact CB-CD1 3.67Å; L100-F200 HydrophobicContact CB-CD2 3.88Å; L100-F200 HydrophobicContact CB-CE1 3.91Å; L100-F200 HydrophobicContact CB-CE2 4.12Å; L100-F200 HydrophobicContact CB-CG 3.65Å; L100-F200 HydrophobicContact CB-CZ 4.13Å; L100-F200 HydrophobicContact CD2-CD2 4.02Å; L100-F200 HydrophobicContact CD2-CE2 4.05Å; L122-F200 HydrophobicContact CB-CE1 3.89Å; L122-F200 HydrophobicContact CB-CZ 3.91Å; L122-F200 HydrophobicContact CD1-CZ 3.93Å; P198-F200 HydrophobicContact CB-CE2 4.27Å; P198-F200 HydrophobicContact CB-CZ 4.25Å; F200-I202 VanDerWaalsContact C-N 3.3Å; F200-I203 HydrophobicContact CB-CG1 3.94Å; F200-L225 HydrophobicContact CD2-CB 3.89Å; F200-L225 WeakPolarHBondContact CD2-O 3.07Å; F200-L225 HydrophobicContact CE2-CB 4.09Å; F200-L225 HydrophobicContact CE2-CD1 4.33Å; F200-L225 HydrophobicContact CE2-CD2 4.49Å; F200-L225 PolarHBondContact N-O 3.27Å; F200-G227 PolarHBondContact O-N 2.98Å
201D98.3Very high95.8Very high61 Ų6142.4 Ų42.433%0.32621%0.21SC..EExtended strand (participates in β ladder)trans-71.9-32.5171.3-58.8-55.5000110.4K97 T98 G230 L231K97-D201 VanDerWaalsContact CA-OD2 3.26Å; K97-D201 WeakPolarHBondContact CA-OD2 3.42Å; K97-D201 HydrophobicContact CB-CB 4.03Å; K97-D201 HydrophobicContact CD-CB 4.3Å; K97-D201 HydrophobicContact CG-CB 4.15Å; T98-D201 PolarHBondContact N-OD2 2.73Å; T98-D201 PolarHBondContact O-N 3.37Å; T98-D201 PolarHBondContact OG1-N 3.5Å; T98-D201 PolarHBondContact OG1-OD2 2.74Å; D201-G230 CarbonylContact O-C 3.58Å; D201-G230 WeakPolarHBondContact O-CA 3.48Å; D201-L231 PolarHBondContact O-N 3.06Å
202I98.4Very high95.7Very high1 Ų145.3 Ų45.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-135.1133179.4-51.4-68.3000109.5F94 K97 T98 V99 L100 F200 F204 L231 Y233F94-I202 HydrophobicContact CD1-CG1 4.45Å; F94-I202 HydrophobicContact CE1-CG1 4.46Å; F94-I202 HydrophobicContact CE1-CG2 4.49Å; K97-I202 HydrophobicContact CD-CD1 4.34Å; K97-I202 HydrophobicContact CD-CG1 3.85Å; T98-I202 PolarHBondContact O-N 3.1Å; V99-I202 WeakPolarHBondContact CA-O 3.3Å; V99-I202 HydrophobicContact CG1-CB 4.33Å; V99-I202 HydrophobicContact CG1-CG2 4.49Å; V99-I202 HydrophobicContact CG2-CB 4.18Å; L100-I202 PolarHBondContact N-O 3.05Å; F200-I202 VanDerWaalsContact C-N 3.3Å; I202-F204 HydrophobicContact CG2-CD1 4.39Å; I202-F204 HydrophobicContact CG2-CD2 4.14Å; I202-F204 HydrophobicContact CG2-CE1 4.01Å; I202-F204 HydrophobicContact CG2-CE2 3.76Å; I202-F204 HydrophobicContact CG2-CG 4.43Å; I202-F204 HydrophobicContact CG2-CZ 3.67Å; I202-L231 CarbonylContact C-O 3.5Å; I202-L231 WeakPolarHBondContact CA-O 3.39Å; I202-L231 HydrophobicContact CD1-CB 4.3Å; I202-Y233 HydrophobicContact CD1-CE2 4.02Å; I202-Y233 HydrophobicContact CG2-CD2 3.81Å; I202-Y233 HydrophobicContact CG2-CE2 4.04Å
203I98.8Very high95.6Very high0 Ų048.4 Ų48.40%025%0.252CS..EExtended strand (participates in β ladder)trans-118.3118.4166.7-54.3-179.9000108L100 L102 F200 L222 L225 L226 L231 V232 Y233L100-I203 HydrophobicContact CB-CB 4.49Å; L100-I203 HydrophobicContact CB-CG1 4.14Å; L100-I203 HydrophobicContact CB-CG2 4.26Å; L100-I203 HydrophobicContact CD2-CD1 4.15Å; L100-I203 HydrophobicContact CD2-CG1 4.19Å; L100-I203 HydrophobicContact CD2-CG2 3.96Å; L100-I203 HydrophobicContact CG-CG2 4.05Å; L100-I203 CarbonylContact O-C 3.56Å; L100-I203 WeakPolarHBondContact O-CA 3.4Å; L102-I203 HydrophobicContact CB-CG2 4.21Å; F200-I203 HydrophobicContact CB-CG1 3.94Å; I203-L222 HydrophobicContact CB-CD2 4.42Å; I203-L222 HydrophobicContact CD1-CD2 4.05Å; I203-L222 HydrophobicContact CG2-CD2 3.75Å; I203-L225 HydrophobicContact CD1-CB 4.44Å; I203-L226 HydrophobicContact CD1-CB 3.99Å; I203-L226 HydrophobicContact CD1-CD1 3.77Å; I203-L226 HydrophobicContact CG1-CD1 3.81Å; I203-L231 PolarHBondContact N-O 3.49Å; I203-V232 HydrophobicContact CB-CB 4.44Å; I203-V232 HydrophobicContact CB-CG1 4.18Å; I203-V232 HydrophobicContact CB-CG2 4.17Å; I203-V232 HydrophobicContact CD1-CG2 4.37Å; I203-V232 HydrophobicContact CG2-CG1 4.3Å; I203-V232 CarbonylContact O-C 3.6Å; I203-V232 VanDerWaalsContact O-CA 3.23Å; I203-V232 WeakPolarHBondContact O-CA 3.41Å; I203-Y233 PolarHBondContact O-N 3.13Å
204F98.8Very high95.6Very high1 Ų142.5 Ų42.50%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-91.6140.8168.6-71-58.9000110.3I83 M87 F94 V99 L100 L102 L109 A113 I202 Y233I83-F204 HydrophobicContact CG2-CD1 3.85Å; I83-F204 HydrophobicContact CG2-CE1 3.78Å; M87-F204 HydrophobicContact CE-CE1 4.4Å; M87-F204 HydrophobicContact CG-CE1 4.38Å; M87-F204 HydrophobicContact CG-CZ 4.37Å; M87-F204 HydrophobicContact SD-CE1 3.91Å; M87-F204 HydrophobicContact SD-CZ 3.81Å; F94-F204 AromaticContact CE1-CE2 3.68Å; F94-F204 HydrophobicContact CE1-CE2 3.68Å; F94-F204 AromaticContact CE1-CZ 3.5Å; F94-F204 HydrophobicContact CE1-CZ 3.5Å; F94-F204 VanDerWaalsContact CE1-CZ 3.5Å; F94-F204 AromaticContact CZ-CE2 3.99Å; F94-F204 HydrophobicContact CZ-CE2 3.99Å; F94-F204 AromaticContact CZ-CZ 3.61Å; F94-F204 HydrophobicContact CZ-CZ 3.61Å; V99-F204 HydrophobicContact CG1-CD2 3.7Å; V99-F204 HydrophobicContact CG1-CE2 3.85Å; L100-F204 PolarHBondContact O-N 3.33Å; L102-F204 PolarHBondContact N-O 3.21Å; L109-F204 HydrophobicContact CB-CB 3.92Å; L109-F204 HydrophobicContact CB-CD1 4.5Å; L109-F204 HydrophobicContact CB-CD2 3.9Å; L109-F204 HydrophobicContact CB-CG 3.86Å; L109-F204 HydrophobicContact CD1-CB 3.79Å; L109-F204 HydrophobicContact CD1-CD1 4.37Å; L109-F204 HydrophobicContact CD1-CG 4.19Å; L109-F204 HydrophobicContact CG-CB 4.49Å; A113-F204 HydrophobicContact CB-CE2 4.48Å; I202-F204 HydrophobicContact CG2-CD1 4.39Å; I202-F204 HydrophobicContact CG2-CD2 4.14Å; I202-F204 HydrophobicContact CG2-CE1 4.01Å; I202-F204 HydrophobicContact CG2-CE2 3.76Å; I202-F204 HydrophobicContact CG2-CG 4.43Å; I202-F204 HydrophobicContact CG2-CZ 3.67Å; F204-Y233 HydrophobicContact CD1-CD2 4.18Å; F204-Y233 HydrophobicContact CD1-CG 4.3Å; F204-Y233 AromaticContact CE1-CD2 3.62Å; F204-Y233 HydrophobicContact CE1-CD2 3.62Å; F204-Y233 HydrophobicContact CE1-CE2 4.45Å; F204-Y233 AromaticContact CE1-CG 3.93Å; F204-Y233 HydrophobicContact CE1-CG 3.93Å; F204-Y233 HydrophobicContact CZ-CD2 4.36Å
205T98.4Very high95.8Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-154.3129.4169.6-163.30000110.5L102 T208 V232 Y233 L234 A235L102-T205 WeakPolarHBondContact O-CB 3.31Å; L102-T205 PolarHBondContact O-OG1 2.89Å; T205-T208 VanDerWaalsContact OG1-CB 3.3Å; T205-T208 WeakPolarHBondContact OG1-CB 3.36Å; T205-T208 WeakPolarHBondContact OG1-CG2 3.42Å; T205-T208 PolarHBondContact OG1-OG1 3.39Å; T205-V232 HydrophobicContact CG2-CG1 4.31Å; T205-Y233 PolarHBondContact N-O 3.23Å; T205-L234 HydrophobicContact CG2-CB 3.85Å; T205-L234 HydrophobicContact CG2-CD1 3.79Å; T205-L234 HydrophobicContact CG2-CG 3.78Å; T205-L234 VanDerWaalsContact O-CA 3.29Å; T205-L234 WeakPolarHBondContact O-CA 3.4Å; T205-A235 PolarHBondContact O-N 3.03Å; T205-A235 VanDerWaalsContact O-N 3.08Å
206S96.9Very high96.2Very high11 Ų1134.4 Ų34.48%0.07719%0.193CC..EExtended strand (participates in β ladder)trans-126.8126.9-173.8179.60000109.8C79 T80 T208C79-S206 VanDerWaalsContact C-OG 3.29Å; C79-S206 WeakPolarHBondContact CB-OG 3.41Å; T80-S206 PolarHBondContact N-OG 3.02Å; T80-S206 VanDerWaalsContact N-OG 3.12Å; T80-S206 PolarHBondContact OG1-OG 3.44Å; S206-T208 VanDerWaalsContact C-N 3.34Å; S206-T208 PolarHBondContact O-N 2.86Å
207E94Very high96.4Very high11 Ų1129.3 Ų29.35%0.05116%0.16CC..SBendtrans51.946.1-178-55.5-141.9-148.600113.7W77 C79 Y210 A235 K237 Y240W77-E207 HydrophobicContact CB-CG 3.9Å; W77-E207 WeakPolarHBondContact CB-OE1 3.39Å; W77-E207 HydrophobicContact CG-CB 4.45Å; W77-E207 HydrophobicContact CG-CG 4.26Å; C79-E207 HydrophobicContact CB-CG 3.54Å; C79-E207 VanDerWaalsContact SG-CG 3.59Å; E207-Y210 WeakPolarHBondContact O-CD1 3.26Å; E207-Y210 WeakPolarHBondContact O-CE1 3.38Å; E207-A235 PolarHBondContact N-O 2.86Å; E207-K237 VanDerWaalsContact CD-NZ 3.3Å; E207-K237 IonicContact OE1-NZ 2.61Å; E207-K237 PolarHBondContact OE1-NZ 3Å; E207-K237 IonicContact OE2-NZ 3.47Å; E207-K237 PolarHBondContact OE2-NZ 3.15Å; E207-Y240 WeakPolarHBondContact CA-OH 3Å; E207-Y240 WeakPolarHBondContact CB-OH 3.2Å; E207-Y240 VanDerWaalsContact CD-OH 3.31Å; E207-Y240 WeakPolarHBondContact CG-OH 3.35Å; E207-Y240 WeakPolarHBondContact OE2-CE1 3.49Å; E207-Y240 VanDerWaalsContact OE2-CZ 3.31Å; E207-Y240 PolarHBondContact OE2-OH 2.7Å
208T96Very high96.6Very high10 Ų1024.5 Ų24.56%0.06114%0.138CC..  trans-106.3-3.8-177.451.30000114.7W184 T205 S206W184-T208 HydrophobicContact CH2-CG2 4.3Å; W184-T208 HydrophobicContact CZ2-CG2 4.11Å; T205-T208 VanDerWaalsContact OG1-CB 3.3Å; T205-T208 WeakPolarHBondContact OG1-CB 3.36Å; T205-T208 WeakPolarHBondContact OG1-CG2 3.42Å; T205-T208 PolarHBondContact OG1-OG1 3.39Å; S206-T208 VanDerWaalsContact C-N 3.34Å; S206-T208 PolarHBondContact O-N 2.86Å
209I96.3Very high96.8Very high0 Ų023.9 Ų23.90%013%0.133CC..  trans-107.822.4-179.264.1161.7000113.7N211 Y215 L218 L234 T236 G246 F250I209-N211 PolarHBondContact O-N 2.88Å; I209-Y215 HydrophobicContact CB-CE1 3.72Å; I209-Y215 HydrophobicContact CG2-CE1 4.28Å; I209-Y215 VanDerWaalsContact O-CE1 3.29Å; I209-Y215 WeakPolarHBondContact O-CE1 3.02Å; I209-Y215 PolarHBondContact O-OH 2.69Å; I209-L218 HydrophobicContact CG2-CD2 3.5Å; I209-L218 VanDerWaalsContact CG2-CD2 3.5Å; I209-L234 HydrophobicContact CD1-CD2 4.1Å; I209-L234 HydrophobicContact CG1-CD2 4.43Å; I209-L234 HydrophobicContact CG2-CD1 3.86Å; I209-T236 HydrophobicContact CD1-CG2 3.83Å; I209-T236 WeakPolarHBondContact CD1-OG1 3.11Å; I209-T236 HydrophobicContact CG1-CG2 4.38Å; I209-T236 VanDerWaalsContact CG1-OG1 3.22Å; I209-T236 WeakPolarHBondContact CG1-OG1 3.37Å; I209-G246 PolarHBondContact O-N 3.46Å; I209-F250 HydrophobicContact CB-CB 4.4Å; I209-F250 HydrophobicContact CB-CD2 4.34Å; I209-F250 HydrophobicContact CB-CG 4.27Å; I209-F250 HydrophobicContact CD1-CB 3.57Å; I209-F250 HydrophobicContact CD1-CD1 4.07Å; I209-F250 HydrophobicContact CD1-CG 3.91Å; I209-F250 HydrophobicContact CG2-CB 4.45Å; I209-F250 HydrophobicContact CG2-CD1 4.03Å; I209-F250 HydrophobicContact CG2-CD2 3.71Å; I209-F250 HydrophobicContact CG2-CE1 4.16Å; I209-F250 HydrophobicContact CG2-CE2 3.87Å; I209-F250 HydrophobicContact CG2-CG 3.8Å; I209-F250 HydrophobicContact CG2-CZ 4.09Å
210Y91.8Very high96.8Very high20 Ų2024.4 Ų24.48%0.07814%0.137CC..SBendtrans-69.7-16.117860.2-97.2000113.9L65 K71 E207 Y240 V243 G245L65-Y210 HydrophobicContact CD2-CD1 4.29Å; L65-Y210 HydrophobicContact CD2-CD2 3.71Å; L65-Y210 HydrophobicContact CD2-CE1 3.82Å; L65-Y210 HydrophobicContact CD2-CE2 3.17Å; L65-Y210 HydrophobicContact CD2-CG 4.25Å; L65-Y210 WeakPolarHBondContact CD2-OH 3.39Å; K71-Y210 WeakPolarHBondContact CD-OH 3.49Å; E207-Y210 WeakPolarHBondContact O-CD1 3.26Å; E207-Y210 WeakPolarHBondContact O-CE1 3.38Å; Y210-Y240 VanDerWaalsContact CA-CD2 3.5Å; Y210-Y240 VanDerWaalsContact CB-CD1 3.42Å; Y210-V243 HydrophobicContact CD2-CB 4.48Å; Y210-V243 HydrophobicContact CD2-CG2 4.17Å; Y210-V243 WeakPolarHBondContact O-CB 3.26Å; Y210-V243 WeakPolarHBondContact O-CG2 3.36Å; Y210-G245 VanDerWaalsContact O-CA 3.24Å; Y210-G245 WeakPolarHBondContact O-CA 3.25Å; Y210-G245 PolarHBondContact O-N 3.32Å
211N92.3Very high96.8Very high18 Ų1824.5 Ų24.510%0.09614%0.137CC..  trans-132.1114.2-177.6-175.1-32.9000111.5I209 C213 Y214I209-N211 PolarHBondContact O-N 2.88Å; N211-C213 PolarHBondContact O-N 3.4Å; N211-C213 VanDerWaalsContact OD1-CB 3.25Å; N211-C213 WeakPolarHBondContact OD1-CB 3.43Å; N211-C213 PolarHBondContact OD1-N 3.41Å; N211-Y214 HydrophobicContact CB-CD2 3.94Å; N211-Y214 HydrophobicContact CB-CE2 4.46Å; N211-Y214 PolarHBondContact O-N 2.65Å; N211-Y214 VanDerWaalsContact O-N 3.09Å
212T94.4Very high96.8Very high60 Ų6021.6 Ų21.637%0.36812%0.122SC..G310 helixtrans-62.2-26-175.160.10000113.6Y214 Y215 L249T212-Y214 PolarHBondContact O-N 3.18Å; T212-Y214 VanDerWaalsContact O-N 3.12Å; T212-Y215 HydrophobicContact CG2-CD2 4.46Å; T212-Y215 HydrophobicContact CG2-CE1 4.39Å; T212-Y215 HydrophobicContact CG2-CE2 3.85Å; T212-Y215 WeakPolarHBondContact O-CB 3.3Å; T212-Y215 PolarHBondContact O-N 3.45Å; T212-Y215 VanDerWaalsContact O-N 3.14Å; T212-L249 HydrophobicContact CG2-CD1 3.99Å
213C94.4Very high96.9Very high103 Ų10324.8 Ų24.870%0.69614%0.137SC*.G310 helixtrans-61.5-22.2176.8-59.90000112.8N211N211-C213 PolarHBondContact O-N 3.4Å; N211-C213 VanDerWaalsContact OD1-CB 3.25Å; N211-C213 WeakPolarHBondContact OD1-CB 3.43Å; N211-C213 PolarHBondContact OD1-N 3.41Å
214Y95.3Very high96.8Very high36 Ų3629.1 Ų29.114%0.14116%0.156CC..G310 helixtrans-98.7-4.5-179.4-64.6-84.8000113.8K71 N211 T212 P216 A217 L218K71-Y214 WeakPolarHBondContact CE-OH 3.5Å; K71-Y214 PolarHBondContact NZ-OH 3.19Å; N211-Y214 HydrophobicContact CB-CD2 3.94Å; N211-Y214 HydrophobicContact CB-CE2 4.46Å; N211-Y214 PolarHBondContact O-N 2.65Å; N211-Y214 VanDerWaalsContact O-N 3.09Å; T212-Y214 PolarHBondContact O-N 3.18Å; T212-Y214 VanDerWaalsContact O-N 3.12Å; Y214-P216 VanDerWaalsContact C-CD 3.49Å; Y214-P216 VanDerWaalsContact C-N 3.34Å; Y214-A217 PolarHBondContact O-N 3.39Å; Y214-A217 VanDerWaalsContact O-N 3.12Å; Y214-L218 PolarHBondContact O-N 3.29Å
215Y97.9Very high96.8Very high6 Ų629.1 Ų29.12%0.02416%0.155CC..Hα-helixtrans-55.3-42.9178.8-69.54.7000112.9I209 T212 A217 L218 H219 G246 L249 F250 F253I209-Y215 HydrophobicContact CB-CE1 3.72Å; I209-Y215 HydrophobicContact CG2-CE1 4.28Å; I209-Y215 VanDerWaalsContact O-CE1 3.29Å; I209-Y215 WeakPolarHBondContact O-CE1 3.02Å; I209-Y215 PolarHBondContact O-OH 2.69Å; T212-Y215 HydrophobicContact CG2-CD2 4.46Å; T212-Y215 HydrophobicContact CG2-CE1 4.39Å; T212-Y215 HydrophobicContact CG2-CE2 3.85Å; T212-Y215 WeakPolarHBondContact O-CB 3.3Å; T212-Y215 PolarHBondContact O-N 3.45Å; T212-Y215 VanDerWaalsContact O-N 3.14Å; Y215-A217 PolarHBondContact O-N 3.49Å; Y215-L218 PolarHBondContact O-N 2.91Å; Y215-H219 WeakPolarHBondContact O-CB 3.39Å; Y215-H219 PolarHBondContact O-N 3.45Å; Y215-G246 PolarHBondContact OH-N 2.85Å; Y215-G246 VanDerWaalsContact OH-N 3.09Å; Y215-G246 PolarHBondContact OH-O 3.49Å; Y215-L249 HydrophobicContact CE2-CB 4.06Å; Y215-F250 AromaticContact CD1-CD2 3.85Å; Y215-F250 HydrophobicContact CD1-CD2 3.85Å; Y215-F250 HydrophobicContact CD1-CE2 4.38Å; Y215-F250 HydrophobicContact CD2-CB 4.45Å; Y215-F250 AromaticContact CD2-CD2 3.79Å; Y215-F250 HydrophobicContact CD2-CD2 3.79Å; Y215-F250 HydrophobicContact CE1-CD2 4.02Å; Y215-F250 VanDerWaalsContact CE2-CA 3.49Å; Y215-F250 HydrophobicContact CE2-CB 3.79Å; Y215-F250 AromaticContact CE2-CD2 3.93Å; Y215-F250 HydrophobicContact CE2-CD2 3.93Å; Y215-F250 HydrophobicContact CE2-CG 4.38Å; Y215-F250 AromaticContact CG-CD2 3.73Å; Y215-F250 HydrophobicContact CG-CD2 3.73Å; Y215-F250 HydrophobicContact CG-CE2 4.28Å; Y215-F253 HydrophobicContact CD2-CB 3.97Å; Y215-F253 HydrophobicContact CD2-CD2 4.4Å; Y215-F253 HydrophobicContact CD2-CG 4.05Å
216P98.4Very high96.9Very high53 Ų5329.1 Ų29.134%0.34416%0.156SC..Hα-helixtrans-60.9-44.1176.5-23.435000113.3Y214 E220 F253Y214-P216 VanDerWaalsContact C-CD 3.49Å; Y214-P216 VanDerWaalsContact C-N 3.34Å; P216-E220 VanDerWaalsContact O-CB 3.31Å; P216-E220 WeakPolarHBondContact O-CB 3.25Å; P216-E220 PolarHBondContact O-N 2.93Å; P216-F253 HydrophobicContact CB-CZ 4.21Å; P216-F253 HydrophobicContact CG-CE2 4.08Å; P216-F253 HydrophobicContact CG-CZ 3.91Å
217A98.3Very high96.9Very high9 Ų928.8 Ų28.87%0.07415%0.153CC..Hα-helixtrans-69.2-41.4-178.600000111.9W184 R185 Y214 Y215 T221W184-A217 HydrophobicContact CB-CB 4.2Å; W184-A217 HydrophobicContact CE3-CB 4.47Å; R185-A217 HydrophobicContact CG-CB 3.75Å; Y214-A217 PolarHBondContact O-N 3.39Å; Y214-A217 VanDerWaalsContact O-N 3.12Å; Y215-A217 PolarHBondContact O-N 3.49Å; A217-T221 WeakPolarHBondContact O-CB 3.09Å; A217-T221 PolarHBondContact O-N 3.2Å; A217-T221 PolarHBondContact O-OG1 3.09Å
218L98.6Very high97Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-61.1-54.3174.217958.1000110.4L102 W184 I209 Y214 Y215 E220 T221 L222 F250L102-L218 HydrophobicContact CD2-CD1 3.4Å; W184-L218 HydrophobicContact CE3-CB 3.83Å; W184-L218 HydrophobicContact CE3-CD1 4.39Å; W184-L218 HydrophobicContact CH2-CB 4.34Å; W184-L218 HydrophobicContact CH2-CD1 4.03Å; W184-L218 HydrophobicContact CH2-CD2 4.43Å; W184-L218 HydrophobicContact CH2-CG 4.5Å; W184-L218 HydrophobicContact CZ2-CD1 4.17Å; W184-L218 HydrophobicContact CZ3-CB 3.65Å; W184-L218 HydrophobicContact CZ3-CD1 4.13Å; W184-L218 HydrophobicContact CZ3-CD2 4.43Å; W184-L218 HydrophobicContact CZ3-CG 4.28Å; I209-L218 HydrophobicContact CG2-CD2 3.5Å; I209-L218 VanDerWaalsContact CG2-CD2 3.5Å; Y214-L218 PolarHBondContact O-N 3.29Å; Y215-L218 PolarHBondContact O-N 2.91Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 3.24Å; L218-T221 WeakPolarHBondContact O-CA 3.49Å; L218-T221 WeakPolarHBondContact O-CB 3.46Å; L218-T221 PolarHBondContact O-N 3.44Å; L218-T221 VanDerWaalsContact O-N 3.07Å; L218-L222 HydrophobicContact CD1-CD1 4.35Å; L218-L222 HydrophobicContact CD1-CD2 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.19Å; L218-L222 HydrophobicContact CG-CD1 4.22Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 2.91Å; L218-F250 HydrophobicContact CD2-CE2 4.05Å; L218-F250 HydrophobicContact CD2-CZ 4.08Å
219H98.7Very high97Very high10 Ų1039 Ų395%0.04622%0.224CC..Hα-helixtrans-59.3-41.9-178.5178.8-70000112.2Y215 T221 L222 H223 F253 R257 F260Y215-H219 WeakPolarHBondContact O-CB 3.39Å; Y215-H219 PolarHBondContact O-N 3.45Å; H219-T221 VanDerWaalsContact C-N 3.34Å; H219-L222 PolarHBondContact O-N 3Å; H219-H223 VanDerWaalsContact O-CB 3.32Å; H219-H223 WeakPolarHBondContact O-CB 3.22Å; H219-H223 PolarHBondContact O-N 3.28Å; H219-F253 HydrophobicContact CB-CE1 3.72Å; H219-F253 AromaticContact CG-CE1 3.98Å; H219-R257 WeakPolarHBondContact NE2-CB 2.99Å; H219-F260 AromaticContact CD2-CD2 3.95Å; H219-F260 AromaticContact NE2-CD2 3.54Å; H219-F260 AromaticContact NE2-CE2 3.87Å
220E98.6Very high97.1Very high102 Ų10239 Ų3948%0.47723%0.225SC..Hα-helixtrans-62.9-42175.4-172.3175.3-167.600111.7L188 P216 L218 H223 K224L188-E220 HydrophobicContact CD2-CB 4.49Å; L188-E220 HydrophobicContact CD2-CG 3.78Å; P216-E220 VanDerWaalsContact O-CB 3.31Å; P216-E220 WeakPolarHBondContact O-CB 3.25Å; P216-E220 PolarHBondContact O-N 2.93Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 3.24Å; E220-H223 PolarHBondContact O-N 3.01Å; E220-K224 HydrophobicContact CG-CG 4.26Å; E220-K224 WeakPolarHBondContact O-CB 3.33Å; E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.45Å
221T98.8Very high97.4Very high2 Ų240 Ų401%0.01223%0.231CC..Hα-helixtrans-60.4-48.6175.9-58.30000111.2L102 F187 A217 L218 H219 H223 K224 L225L102-T221 HydrophobicContact CD1-CG2 3.99Å; L102-T221 HydrophobicContact CD2-CG2 4.16Å; F187-T221 HydrophobicContact CD1-CG2 4.23Å; F187-T221 HydrophobicContact CE1-CG2 4.03Å; A217-T221 WeakPolarHBondContact O-CB 3.09Å; A217-T221 PolarHBondContact O-N 3.2Å; A217-T221 PolarHBondContact O-OG1 3.09Å; L218-T221 WeakPolarHBondContact O-CA 3.49Å; L218-T221 WeakPolarHBondContact O-CB 3.46Å; L218-T221 PolarHBondContact O-N 3.44Å; L218-T221 VanDerWaalsContact O-N 3.07Å; H219-T221 VanDerWaalsContact C-N 3.34Å; T221-H223 PolarHBondContact O-N 3.23Å; T221-K224 PolarHBondContact O-N 2.87Å; T221-L225 HydrophobicContact CG2-CD1 3.72Å; T221-L225 HydrophobicContact CG2-CG 4.46Å; T221-L225 VanDerWaalsContact O-CB 3.3Å; T221-L225 WeakPolarHBondContact O-CB 3.44Å; T221-L225 WeakPolarHBondContact O-CG 3.29Å; T221-L225 PolarHBondContact O-N 3.22Å
222L98.8Very high97.7Very high0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-58.5-48.2175.7-62.1-180000111L102 I203 L218 H219 K224 L225 L226 V232 F260 L279L102-L222 HydrophobicContact CD2-CD2 4.15Å; I203-L222 HydrophobicContact CB-CD2 4.42Å; I203-L222 HydrophobicContact CD1-CD2 4.05Å; I203-L222 HydrophobicContact CG2-CD2 3.75Å; L218-L222 HydrophobicContact CD1-CD1 4.35Å; L218-L222 HydrophobicContact CD1-CD2 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.19Å; L218-L222 HydrophobicContact CG-CD1 4.22Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 2.91Å; H219-L222 PolarHBondContact O-N 3Å; L222-K224 PolarHBondContact O-N 2.98Å; L222-L225 PolarHBondContact O-N 3.49Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 PolarHBondContact O-N 3.16Å; L222-V232 HydrophobicContact CD1-CG1 4.12Å; L222-V232 HydrophobicContact CD1-CG2 4.46Å; L222-V232 HydrophobicContact CD2-CG1 3.81Å; L222-V232 HydrophobicContact CD2-CG2 4.07Å; L222-F260 HydrophobicContact CB-CE2 4.07Å; L222-F260 HydrophobicContact CB-CZ 3.95Å; L222-L279 HydrophobicContact CD1-CD2 4.48Å
223H98.6Very high97.9Very high69 Ų6936.7 Ų36.732%0.31921%0.21SC..Hα-helixtrans-61.5-44.6-179.1178.2-165.9000112.2H219 E220 T221 V259 F260 F281H219-H223 VanDerWaalsContact O-CB 3.32Å; H219-H223 WeakPolarHBondContact O-CB 3.22Å; H219-H223 PolarHBondContact O-N 3.28Å; E220-H223 PolarHBondContact O-N 3.01Å; T221-H223 PolarHBondContact O-N 3.23Å; H223-V259 HydrophobicContact CB-CG1 4.37Å; H223-F260 HydrophobicContact CB-CE2 4.06Å; H223-F260 HydrophobicContact CB-CZ 3.99Å; H223-F281 AromaticContact CD2-CE1 3.63Å
224K98.5Very high98.1Very high91 Ų9131.8 Ų31.840%0.39618%0.177SC..Hα-helixtrans-77.3-26.7-176.2-67.9-60.8-174-179.90113.1L188 L192 K199 E220 T221 L222L188-K224 HydrophobicContact CD1-CB 3.7Å; L188-K224 HydrophobicContact CD1-CG 4.47Å; L188-K224 HydrophobicContact CD2-CB 4.14Å; L188-K224 HydrophobicContact CD2-CG 4.06Å; L188-K224 HydrophobicContact CG-CB 4.47Å; L192-K224 HydrophobicContact CD1-CB 4.34Å; K199-K224 PolarHBondContact NZ-O 2.67Å; E220-K224 HydrophobicContact CG-CG 4.26Å; E220-K224 WeakPolarHBondContact O-CB 3.33Å; E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.45Å; T221-K224 PolarHBondContact O-N 2.87Å; L222-K224 PolarHBondContact O-N 2.98Å
225L98.7Very high98.2Very high0 Ų030.1 Ų30.10%017%0.171CC..Hα-helixtrans-103.6-20.4-175.2-61.1-177.1000114.2L100 F187 L188 V191 L192 P198 K199 F200 I203 T221 L222L100-L225 HydrophobicContact CD2-CB 4.48Å; L100-L225 HydrophobicContact CD2-CD1 3.96Å; F187-L225 HydrophobicContact CE1-CD1 3.8Å; F187-L225 HydrophobicContact CZ-CD1 4.28Å; L188-L225 HydrophobicContact CD1-CD1 4.11Å; L188-L225 HydrophobicContact CD1-CD2 3.87Å; L188-L225 HydrophobicContact CD1-CG 3.75Å; V191-L225 HydrophobicContact CG1-CD2 4.05Å; L192-L225 HydrophobicContact CD2-CD2 3.94Å; P198-L225 HydrophobicContact CG-CD2 4.48Å; K199-L225 CarbonylContact C-O 3.59Å; K199-L225 WeakPolarHBondContact CA-O 3.28Å; F200-L225 HydrophobicContact CD2-CB 3.89Å; F200-L225 WeakPolarHBondContact CD2-O 3.07Å; F200-L225 HydrophobicContact CE2-CB 4.09Å; F200-L225 HydrophobicContact CE2-CD1 4.33Å; F200-L225 HydrophobicContact CE2-CD2 4.49Å; F200-L225 PolarHBondContact N-O 3.27Å; I203-L225 HydrophobicContact CD1-CB 4.44Å; T221-L225 HydrophobicContact CG2-CD1 3.72Å; T221-L225 HydrophobicContact CG2-CG 4.46Å; T221-L225 VanDerWaalsContact O-CB 3.3Å; T221-L225 WeakPolarHBondContact O-CB 3.44Å; T221-L225 WeakPolarHBondContact O-CG 3.29Å; T221-L225 PolarHBondContact O-N 3.22Å; L222-L225 PolarHBondContact O-N 3.49Å
226L98.8Very high98.1Very high1 Ų129.8 Ų29.81%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-69.4136.2177.3-165.468.7000111.3K199 I203 L222 V232 F260 F281K199-L226 PolarHBondContact NZ-O 2.99Å; I203-L226 HydrophobicContact CD1-CB 3.99Å; I203-L226 HydrophobicContact CD1-CD1 3.77Å; I203-L226 HydrophobicContact CG1-CD1 3.81Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 PolarHBondContact O-N 3.16Å; L226-V232 HydrophobicContact CD1-CG2 3.87Å; L226-V232 HydrophobicContact CD2-CG2 3.91Å; L226-V232 HydrophobicContact CG-CG2 4.43Å; L226-F260 HydrophobicContact CD2-CE1 3.74Å; L226-F281 HydrophobicContact CB-CE2 3.99Å; L226-F281 HydrophobicContact CB-CZ 4.07Å; L226-F281 HydrophobicContact CD2-CD2 4.22Å; L226-F281 HydrophobicContact CD2-CE2 3.95Å; L226-F281 HydrophobicContact CD2-CZ 4.34Å; L226-F281 HydrophobicContact CG-CE2 4.12Å
227G98.2Very high97.9Very high3 Ų328.2 Ų28.23%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-69.6158.5170.700000112.1F200 S229 G230 F281F200-G227 PolarHBondContact O-N 2.98Å; G227-S229 PolarHBondContact O-N 3.09Å; G227-S229 VanDerWaalsContact O-N 3.08Å; G227-G230 PolarHBondContact O-N 3.2Å; G227-F281 WeakPolarHBondContact O-CE2 3.39Å
228P96.6Very high97.6Very high115 Ų11529.3 Ų29.375%0.74716%0.164SC*.EExtended strand (participates in β ladder)trans-56.8-29.3-175.1-26.935.2000115.3
229S95.8Very high97.2Very high120 Ų12032.9 Ų32.984%0.83918%0.18SC*.EExtended strand (participates in β ladder)trans-114.516.3176.3-53.20000112.5G227G227-S229 PolarHBondContact O-N 3.09Å; G227-S229 VanDerWaalsContact O-N 3.08Å
230G97.3Very high96.7Very high2 Ų233.3 Ų33.32%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-76162.4-178.700000112.6D201 G227D201-G230 CarbonylContact O-C 3.58Å; D201-G230 WeakPolarHBondContact O-CA 3.48Å; G227-G230 PolarHBondContact O-N 3.2Å
231L97.8Very high96Very high41 Ų4136.2 Ų36.222%0.21519%0.193CC..EExtended strand (participates in β ladder)trans-120.5142.2175.9-60.4176.3000110.6D201 I202 I203 Y233 V278 R280D201-L231 PolarHBondContact O-N 3.06Å; I202-L231 CarbonylContact C-O 3.5Å; I202-L231 WeakPolarHBondContact CA-O 3.39Å; I202-L231 HydrophobicContact CD1-CB 4.3Å; I203-L231 PolarHBondContact N-O 3.49Å; L231-Y233 HydrophobicContact CB-CE2 4.05Å; L231-Y233 HydrophobicContact CD1-CE2 4.36Å; L231-V278 HydrophobicContact CB-CG2 4.01Å; L231-V278 HydrophobicContact CD1-CG2 4.48Å; L231-V278 HydrophobicContact CD2-CG2 3.97Å; L231-V278 HydrophobicContact CG-CG2 4.37Å; L231-R280 HydrophobicContact CD2-CB 3.92Å
232V98.7Very high95Very high0 Ų040.3 Ų40.30%024%0.236CC..EExtended strand (participates in β ladder)trans-105.7117.1167-173.30000107.9I203 T205 L222 L226 V278 L279I203-V232 HydrophobicContact CB-CB 4.44Å; I203-V232 HydrophobicContact CB-CG1 4.18Å; I203-V232 HydrophobicContact CB-CG2 4.17Å; I203-V232 HydrophobicContact CD1-CG2 4.37Å; I203-V232 HydrophobicContact CG2-CG1 4.3Å; I203-V232 CarbonylContact O-C 3.6Å; I203-V232 VanDerWaalsContact O-CA 3.23Å; I203-V232 WeakPolarHBondContact O-CA 3.41Å; T205-V232 HydrophobicContact CG2-CG1 4.31Å; L222-V232 HydrophobicContact CD1-CG1 4.12Å; L222-V232 HydrophobicContact CD1-CG2 4.46Å; L222-V232 HydrophobicContact CD2-CG1 3.81Å; L222-V232 HydrophobicContact CD2-CG2 4.07Å; L226-V232 HydrophobicContact CD1-CG2 3.87Å; L226-V232 HydrophobicContact CD2-CG2 3.91Å; L226-V232 HydrophobicContact CG-CG2 4.43Å; V232-V278 CarbonylContact O-C 3.59Å; V232-V278 VanDerWaalsContact O-CA 3.24Å; V232-V278 WeakPolarHBondContact O-CA 3.44Å; V232-L279 HydrophobicContact CB-CB 4.02Å; V232-L279 HydrophobicContact CB-CD1 4.41Å; V232-L279 HydrophobicContact CG1-CD1 4.5Å; V232-L279 HydrophobicContact CG2-CB 4.32Å; V232-L279 PolarHBondContact N-O 2.87Å; V232-L279 PolarHBondContact O-N 3.12Å
233Y98.5Very high93.7Very high8 Ų843.2 Ų43.23%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-92.8117.1168.9-66.4-85.7000108.5M87 E92 I202 I203 F204 T205 L231 L265 V278M87-Y233 HydrophobicContact CE-CD1 3.73Å; M87-Y233 HydrophobicContact CE-CD2 4.3Å; M87-Y233 HydrophobicContact CE-CE1 3.53Å; M87-Y233 HydrophobicContact CE-CE2 4.11Å; M87-Y233 HydrophobicContact CE-CG 4.12Å; E92-Y233 VanDerWaalsContact OE2-CZ 3.31Å; E92-Y233 PolarHBondContact OE2-OH 3.02Å; I202-Y233 HydrophobicContact CD1-CE2 4.02Å; I202-Y233 HydrophobicContact CG2-CD2 3.81Å; I202-Y233 HydrophobicContact CG2-CE2 4.04Å; I203-Y233 PolarHBondContact O-N 3.13Å; F204-Y233 HydrophobicContact CD1-CD2 4.18Å; F204-Y233 HydrophobicContact CD1-CG 4.3Å; F204-Y233 AromaticContact CE1-CD2 3.62Å; F204-Y233 HydrophobicContact CE1-CD2 3.62Å; F204-Y233 HydrophobicContact CE1-CE2 4.45Å; F204-Y233 AromaticContact CE1-CG 3.93Å; F204-Y233 HydrophobicContact CE1-CG 3.93Å; F204-Y233 HydrophobicContact CZ-CD2 4.36Å; T205-Y233 PolarHBondContact N-O 3.23Å; L231-Y233 HydrophobicContact CB-CE2 4.05Å; L231-Y233 HydrophobicContact CD1-CE2 4.36Å; Y233-L265 HydrophobicContact CD1-CD1 3.67Å; Y233-L265 HydrophobicContact CE1-CD1 3.53Å; Y233-V278 HydrophobicContact CD1-CG2 4.48Å; Y233-V278 HydrophobicContact CE1-CG2 4.34Å
234L98.6Very high92.8Very high0 Ų041.3 Ų41.30%025%0.253CS..EExtended strand (participates in β ladder)trans-118.8124-179.6-177.2152000109.3T205 I209 T236 F250 V277 L279T205-L234 HydrophobicContact CG2-CB 3.85Å; T205-L234 HydrophobicContact CG2-CD1 3.79Å; T205-L234 HydrophobicContact CG2-CG 3.78Å; T205-L234 VanDerWaalsContact O-CA 3.29Å; T205-L234 WeakPolarHBondContact O-CA 3.4Å; I209-L234 HydrophobicContact CD1-CD2 4.1Å; I209-L234 HydrophobicContact CG1-CD2 4.43Å; I209-L234 HydrophobicContact CG2-CD1 3.86Å; L234-T236 HydrophobicContact CD2-CG2 3.63Å; L234-F250 HydrophobicContact CD1-CD1 4.24Å; L234-F250 HydrophobicContact CD1-CE1 3.71Å; L234-F250 HydrophobicContact CD1-CZ 4.32Å; L234-V277 HydrophobicContact CB-CG2 3.92Å; L234-V277 HydrophobicContact CD2-CG2 3.8Å; L234-V277 HydrophobicContact CG-CG2 4.43Å; L234-V277 PolarHBondContact N-O 3.23Å; L234-V277 PolarHBondContact O-N 2.71Å; L234-L279 HydrophobicContact CB-CD1 4.12Å
235A97.9Very high92.5Very high0 Ų037 Ų370%023%0.234CC..EExtended strand (participates in β ladder)trans-113.4136.7170.600000111.4C79 I83 T205 E207 H275 V276C79-A235 HydrophobicContact CB-CB 3.68Å; C79-A235 VanDerWaalsContact O-CB 3.27Å; C79-A235 WeakPolarHBondContact O-CB 2.95Å; I83-A235 HydrophobicContact CD1-CB 3.58Å; I83-A235 HydrophobicContact CG1-CB 3.43Å; I83-A235 VanDerWaalsContact CG1-CB 3.43Å; T205-A235 PolarHBondContact O-N 3.03Å; T205-A235 VanDerWaalsContact O-N 3.08Å; E207-A235 PolarHBondContact N-O 2.86Å; A235-H275 CarbonylContact C-O 3.55Å; A235-H275 VanDerWaalsContact CA-O 3.23Å; A235-H275 WeakPolarHBondContact CA-O 3.45Å; A235-V276 HydrophobicContact CB-CG2 4.05Å
236T95.9Very high92.3Very high0 Ų037 Ų370%023%0.234CC..EExtended strand (participates in β ladder)trans-154.5157.4-170.6-177.20000111.9C79 I209 L234 Y240 L247 R274 H275C79-T236 VanDerWaalsContact SG-C 3.6Å; I209-T236 HydrophobicContact CD1-CG2 3.83Å; I209-T236 WeakPolarHBondContact CD1-OG1 3.11Å; I209-T236 HydrophobicContact CG1-CG2 4.38Å; I209-T236 VanDerWaalsContact CG1-OG1 3.22Å; I209-T236 WeakPolarHBondContact CG1-OG1 3.37Å; L234-T236 HydrophobicContact CD2-CG2 3.63Å; T236-Y240 WeakPolarHBondContact OG1-CE2 3.17Å; T236-L247 HydrophobicContact CG2-CB 3.9Å; T236-L247 HydrophobicContact CG2-CD1 3.96Å; T236-L247 HydrophobicContact CG2-CG 4.34Å; T236-R274 CarbonylContact O-C 3.49Å; T236-R274 VanDerWaalsContact O-CA 3.3Å; T236-R274 WeakPolarHBondContact O-CA 3.25Å; T236-H275 HydrophobicContact CG2-CB 4.39Å; T236-H275 PolarHBondContact N-O 3.4Å; T236-H275 PolarHBondContact O-N 3.17Å
237K93.6Very high92.1Very high20 Ų2037.2 Ų37.29%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-73.4154.3159.9-71.1151.1178.6146.60110.7E207 H239 Y240 L272 Q273 R274E207-K237 VanDerWaalsContact CD-NZ 3.3Å; E207-K237 IonicContact OE1-NZ 2.61Å; E207-K237 PolarHBondContact OE1-NZ 3Å; E207-K237 IonicContact OE2-NZ 3.47Å; E207-K237 PolarHBondContact OE2-NZ 3.15Å; K237-H239 PolarHBondContact O-N 2.83Å; K237-Y240 HydrophobicContact CB-CD2 4.33Å; K237-Y240 HydrophobicContact CB-CE1 4.34Å; K237-Y240 HydrophobicContact CB-CE2 3.83Å; K237-Y240 HydrophobicContact CD-CD1 4.25Å; K237-Y240 HydrophobicContact CD-CE1 3.66Å; K237-Y240 HydrophobicContact CG-CE1 4.49Å; K237-Y240 PolarHBondContact N-OH 3.38Å; K237-L272 HydrophobicContact CB-CD2 4.23Å; K237-L272 HydrophobicContact CD-CD2 3.57Å; K237-L272 HydrophobicContact CG-CD2 3.78Å; K237-L272 HydrophobicContact CG-CG 4.26Å; K237-Q273 CarbonylContact C-O 3.56Å; K237-Q273 WeakPolarHBondContact CA-O 3.1Å; K237-R274 HydrophobicContact CG-CG 4.06Å
238S92.6Very high92Very high31 Ų3143.2 Ų43.222%0.21726%0.262CS..SBendtrans-60.6-38.5172.7-40.30000111.2G246 L247 Q273 H275S238-G246 CarbonylContact O-C 3.52Å; S238-G246 VanDerWaalsContact O-CA 3.29Å; S238-G246 WeakPolarHBondContact O-CA 3.24Å; S238-L247 PolarHBondContact O-N 2.62Å; S238-Q273 PolarHBondContact N-O 3.16Å; S238-Q273 WeakPolarHBondContact OG-CB 3.48Å; S238-Q273 PolarHBondContact OG-O 2.72Å; S238-H275 WeakPolarHBondContact CB-NE2 3.45Å; S238-H275 PolarHBondContact OG-CD2 3.04Å; S238-H275 PolarHBondContact OG-NE2 3.29Å
239H91.3Very high92Very high75 Ų7541.4 Ų41.435%0.34725%0.246SC..  trans-148.1140.7-179.2-170.368.9000112.5K237 F241K237-H239 PolarHBondContact O-N 2.83Å; H239-F241 AromaticContact CD2-CD1 3.64Å; H239-F241 AromaticContact CD2-CE1 3.71Å; H239-F241 AromaticContact CD2-CG 3.99Å; H239-F241 AromaticContact NE2-CD1 3.94Å
240Y87.6Confident92.2Very high19 Ų1935.7 Ų35.78%0.07521%0.206CC..  trans-110.7103.7173.3-69.5-95000110.4E207 Y210 T236 K237 G244 G245E207-Y240 WeakPolarHBondContact CA-OH 3Å; E207-Y240 WeakPolarHBondContact CB-OH 3.2Å; E207-Y240 VanDerWaalsContact CD-OH 3.31Å; E207-Y240 WeakPolarHBondContact CG-OH 3.35Å; E207-Y240 WeakPolarHBondContact OE2-CE1 3.49Å; E207-Y240 VanDerWaalsContact OE2-CZ 3.31Å; E207-Y240 PolarHBondContact OE2-OH 2.7Å; Y210-Y240 VanDerWaalsContact CA-CD2 3.5Å; Y210-Y240 VanDerWaalsContact CB-CD1 3.42Å; T236-Y240 WeakPolarHBondContact OG1-CE2 3.17Å; K237-Y240 HydrophobicContact CB-CD2 4.33Å; K237-Y240 HydrophobicContact CB-CE1 4.34Å; K237-Y240 HydrophobicContact CB-CE2 3.83Å; K237-Y240 HydrophobicContact CD-CD1 4.25Å; K237-Y240 HydrophobicContact CD-CE1 3.66Å; K237-Y240 HydrophobicContact CG-CE1 4.49Å; K237-Y240 PolarHBondContact N-OH 3.38Å; Y240-G244 WeakPolarHBondContact O-CA 3.29Å; Y240-G244 PolarHBondContact O-N 2.65Å; Y240-G245 PolarHBondContact N-O 3.23Å
241F82.9Confident92.2Very high164 Ų16437.6 Ų37.672%0.71921%0.214SC*.THydrogen-bonded Turntrans-60142.1178.2-61.7-77.7000111.7H239 V243 L272H239-F241 AromaticContact CD2-CD1 3.64Å; H239-F241 AromaticContact CD2-CE1 3.71Å; H239-F241 AromaticContact CD2-CG 3.99Å; H239-F241 AromaticContact NE2-CD1 3.94Å; F241-V243 VanDerWaalsContact C-N 3.33Å; F241-V243 PolarHBondContact O-N 3.09Å; F241-V243 VanDerWaalsContact O-N 3.14Å; F241-L272 HydrophobicContact CE2-CD1 3.98Å
242G78.4Confident92.2Very high88 Ų8837.8 Ų37.891%0.90722%0.217SC*.THydrogen-bonded Turntrans85.7-58.8-179.700000114
243V72.3Confident92.2Very high61 Ų6139.3 Ų39.337%0.3722%0.224SC..THydrogen-bonded Turntrans-80.8-20.8179.4-71.30000113.4Y210 F241 G245Y210-V243 HydrophobicContact CD2-CB 4.48Å; Y210-V243 HydrophobicContact CD2-CG2 4.17Å; Y210-V243 WeakPolarHBondContact O-CB 3.26Å; Y210-V243 WeakPolarHBondContact O-CG2 3.36Å; F241-V243 VanDerWaalsContact C-N 3.33Å; F241-V243 PolarHBondContact O-N 3.09Å; F241-V243 VanDerWaalsContact O-N 3.14Å; V243-G245 PolarHBondContact O-N 3.21Å
244G79.7Confident92.2Very high29 Ų2939.1 Ų39.130%0.29922%0.223SC..  trans82.31.9163.200000116.5Y240 L249Y240-G244 WeakPolarHBondContact O-CA 3.29Å; Y240-G244 PolarHBondContact O-N 2.65Å; G244-L249 WeakPolarHBondContact O-CD1 3.34Å
245G91.5Very high92.1Very high0 Ų045.6 Ų45.60%025%0.254CS..  trans-80.2-178.7172.400000113.4Y210 Y240 V243Y210-G245 VanDerWaalsContact O-CA 3.24Å; Y210-G245 WeakPolarHBondContact O-CA 3.25Å; Y210-G245 PolarHBondContact O-N 3.32Å; Y240-G245 PolarHBondContact N-O 3.23Å; V243-G245 PolarHBondContact O-N 3.21Å
246G93.6Very high92.1Very high1 Ų152.8 Ų52.81%0.0129%0.287CS..  trans150.4170.3-176.100000112.7I209 Y215 S238 H248 L249 F250I209-G246 PolarHBondContact O-N 3.46Å; Y215-G246 PolarHBondContact OH-N 2.85Å; Y215-G246 VanDerWaalsContact OH-N 3.09Å; Y215-G246 PolarHBondContact OH-O 3.49Å; S238-G246 CarbonylContact O-C 3.52Å; S238-G246 VanDerWaalsContact O-CA 3.29Å; S238-G246 WeakPolarHBondContact O-CA 3.24Å; G246-H248 PolarHBondContact O-N 2.87Å; G246-L249 PolarHBondContact O-N 2.61Å; G246-F250 PolarHBondContact O-N 2.84Å
247L96.3Very high92.2Very high4 Ų459.1 Ų59.12%0.02131%0.311CS..Hα-helixtrans-57.5-54.9-171-177.257.4000112.4T236 S238 L249 F250 E251 H264 H275 V277T236-L247 HydrophobicContact CG2-CB 3.9Å; T236-L247 HydrophobicContact CG2-CD1 3.96Å; T236-L247 HydrophobicContact CG2-CG 4.34Å; S238-L247 PolarHBondContact O-N 2.62Å; L247-L249 VanDerWaalsContact C-N 3.28Å; L247-L249 PolarHBondContact O-N 2.85Å; L247-L249 VanDerWaalsContact O-N 3.17Å; L247-F250 CarbonylContact O-C 3.53Å; L247-F250 WeakPolarHBondContact O-CA 3.17Å; L247-F250 WeakPolarHBondContact O-CB 3.36Å; L247-F250 PolarHBondContact O-N 3.17Å; L247-E251 HydrophobicContact CD1-CG 3.82Å; L247-E251 HydrophobicContact CG-CG 4.02Å; L247-E251 WeakPolarHBondContact O-CG 3.35Å; L247-E251 PolarHBondContact O-N 3.35Å; L247-H264 VanDerWaalsContact CD2-CE1 3.43Å; L247-H264 WeakPolarHBondContact CD2-CE1 3.38Å; L247-H275 HydrophobicContact CD2-CB 3.61Å; L247-V277 HydrophobicContact CD1-CG1 3.97Å; L247-V277 HydrophobicContact CD1-CG2 4.18Å; L247-V277 HydrophobicContact CD2-CG1 3.98Å
248H95.8Very high92.4Very high129 Ų12960 Ų6060%0.59733%0.327SS*.Hα-helixtrans-54.5-42-175.2178.662.8000113.6G246 F250 E251 T252G246-H248 PolarHBondContact O-N 2.87Å; H248-F250 VanDerWaalsContact C-N 3.34Å; H248-E251 WeakPolarHBondContact CA-OE2 3.28Å; H248-T252 PolarHBondContact O-N 2.87Å; H248-T252 VanDerWaalsContact O-N 3.08Å; H248-T252 PolarHBondContact O-OG1 3.28Å
249L96.9Very high92.7Very high78 Ų7860.3 Ų60.341%0.40833%0.327SS..Hα-helixtrans-69.2-35.5177.6-66.9176.9000111.7T212 Y215 G244 G246 L247 F253T212-L249 HydrophobicContact CG2-CD1 3.99Å; Y215-L249 HydrophobicContact CE2-CB 4.06Å; G244-L249 WeakPolarHBondContact O-CD1 3.34Å; G246-L249 PolarHBondContact O-N 2.61Å; L247-L249 VanDerWaalsContact C-N 3.28Å; L247-L249 PolarHBondContact O-N 2.85Å; L247-L249 VanDerWaalsContact O-N 3.17Å; L249-F253 WeakPolarHBondContact O-CB 3.39Å; L249-F253 PolarHBondContact O-N 2.92Å; L249-F253 VanDerWaalsContact O-N 3.07Å
250F98.2Very high93.1Very high0 Ų056.8 Ų56.80%031%0.311CS..Hα-helixtrans-72.4-40178.1-172.1-111.2000111.7I209 Y215 L218 L234 G246 L247 H248 F253 V254 L262 L279I209-F250 HydrophobicContact CB-CB 4.4Å; I209-F250 HydrophobicContact CB-CD2 4.34Å; I209-F250 HydrophobicContact CB-CG 4.27Å; I209-F250 HydrophobicContact CD1-CB 3.57Å; I209-F250 HydrophobicContact CD1-CD1 4.07Å; I209-F250 HydrophobicContact CD1-CG 3.91Å; I209-F250 HydrophobicContact CG2-CB 4.45Å; I209-F250 HydrophobicContact CG2-CD1 4.03Å; I209-F250 HydrophobicContact CG2-CD2 3.71Å; I209-F250 HydrophobicContact CG2-CE1 4.16Å; I209-F250 HydrophobicContact CG2-CE2 3.87Å; I209-F250 HydrophobicContact CG2-CG 3.8Å; I209-F250 HydrophobicContact CG2-CZ 4.09Å; Y215-F250 AromaticContact CD1-CD2 3.85Å; Y215-F250 HydrophobicContact CD1-CD2 3.85Å; Y215-F250 HydrophobicContact CD1-CE2 4.38Å; Y215-F250 HydrophobicContact CD2-CB 4.45Å; Y215-F250 AromaticContact CD2-CD2 3.79Å; Y215-F250 HydrophobicContact CD2-CD2 3.79Å; Y215-F250 HydrophobicContact CE1-CD2 4.02Å; Y215-F250 VanDerWaalsContact CE2-CA 3.49Å; Y215-F250 HydrophobicContact CE2-CB 3.79Å; Y215-F250 AromaticContact CE2-CD2 3.93Å; Y215-F250 HydrophobicContact CE2-CD2 3.93Å; Y215-F250 HydrophobicContact CE2-CG 4.38Å; Y215-F250 AromaticContact CG-CD2 3.73Å; Y215-F250 HydrophobicContact CG-CD2 3.73Å; Y215-F250 HydrophobicContact CG-CE2 4.28Å; L218-F250 HydrophobicContact CD2-CE2 4.05Å; L218-F250 HydrophobicContact CD2-CZ 4.08Å; L234-F250 HydrophobicContact CD1-CD1 4.24Å; L234-F250 HydrophobicContact CD1-CE1 3.71Å; L234-F250 HydrophobicContact CD1-CZ 4.32Å; G246-F250 PolarHBondContact O-N 2.84Å; L247-F250 CarbonylContact O-C 3.53Å; L247-F250 WeakPolarHBondContact O-CA 3.17Å; L247-F250 WeakPolarHBondContact O-CB 3.36Å; L247-F250 PolarHBondContact O-N 3.17Å; H248-F250 VanDerWaalsContact C-N 3.34Å; F250-F253 WeakPolarHBondContact O-CB 3.31Å; F250-F253 PolarHBondContact O-N 2.89Å; F250-V254 HydrophobicContact CD1-CG2 4.07Å; F250-V254 HydrophobicContact CE1-CG2 3.75Å; F250-V254 HydrophobicContact CE2-CG2 4.33Å; F250-V254 HydrophobicContact CG-CG2 4.5Å; F250-V254 HydrophobicContact CZ-CG2 3.9Å; F250-V254 VanDerWaalsContact O-CG2 3.3Å; F250-V254 WeakPolarHBondContact O-CG2 3.46Å; F250-V254 PolarHBondContact O-N 3.12Å; F250-L262 HydrophobicContact CD1-CD1 4.42Å; F250-L279 HydrophobicContact CE1-CD2 4.12Å
251E98Very high93.5Very high41 Ų4157.6 Ų57.619%0.19232%0.319CS..Hα-helixtrans-57.7-51.3172.5-68.6178.1125.400111.2L247 H248 F253 V254 E255 L262 H264L247-E251 HydrophobicContact CD1-CG 3.82Å; L247-E251 HydrophobicContact CG-CG 4.02Å; L247-E251 WeakPolarHBondContact O-CG 3.35Å; L247-E251 PolarHBondContact O-N 3.35Å; H248-E251 WeakPolarHBondContact CA-OE2 3.28Å; E251-F253 PolarHBondContact O-N 2.74Å; E251-V254 PolarHBondContact O-N 2.76Å; E251-E255 WeakPolarHBondContact O-CG 3.39Å; E251-E255 PolarHBondContact O-N 2.72Å; E251-L262 HydrophobicContact CG-CD1 3.93Å; E251-L262 HydrophobicContact CG-CD2 3.97Å; E251-L262 WeakPolarHBondContact OE1-CD2 3.38Å; E251-H264 IonicContact OE1-CD2 3.94Å; E251-H264 IonicContact OE1-CE1 3.58Å; E251-H264 IonicContact OE1-NE2 3.2Å; E251-H264 PolarHBondContact OE1-NE2 2.98Å
252T98Very high94.3Very high46 Ų4651.3 Ų51.328%0.28229%0.292SS..Hα-helixtrans-54.9-43.2175.8-58.80000111H248 Q256H248-T252 PolarHBondContact O-N 2.87Å; H248-T252 VanDerWaalsContact O-N 3.08Å; H248-T252 PolarHBondContact O-OG1 3.28Å; T252-Q256 WeakPolarHBondContact O-CB 3.45Å; T252-Q256 WeakPolarHBondContact O-CG 3.44Å; T252-Q256 PolarHBondContact O-N 2.81Å; T252-Q256 VanDerWaalsContact O-N 3.07Å
253F98.4Very high95.1Very high32 Ų3250.2 Ų50.214%0.1427%0.266CS..Hα-helixtrans-64.7-43.9177-179.6-89000112.4Y215 P216 H219 L249 F250 E251 Q256 R257Y215-F253 HydrophobicContact CD2-CB 3.97Å; Y215-F253 HydrophobicContact CD2-CD2 4.4Å; Y215-F253 HydrophobicContact CD2-CG 4.05Å; P216-F253 HydrophobicContact CB-CZ 4.21Å; P216-F253 HydrophobicContact CG-CE2 4.08Å; P216-F253 HydrophobicContact CG-CZ 3.91Å; H219-F253 HydrophobicContact CB-CE1 3.72Å; H219-F253 AromaticContact CG-CE1 3.98Å; L249-F253 WeakPolarHBondContact O-CB 3.39Å; L249-F253 PolarHBondContact O-N 2.92Å; L249-F253 VanDerWaalsContact O-N 3.07Å; F250-F253 WeakPolarHBondContact O-CB 3.31Å; F250-F253 PolarHBondContact O-N 2.89Å; E251-F253 PolarHBondContact O-N 2.74Å; F253-Q256 PolarHBondContact O-N 2.98Å; F253-R257 HydrophobicContact CD1-CG 4.21Å; F253-R257 HydrophobicContact CE1-CG 3.83Å; F253-R257 HydrophobicContact CZ-CG 4.13Å; F253-R257 VanDerWaalsContact CZ-NE 3.32Å; F253-R257 VanDerWaalsContact O-CG 3.29Å; F253-R257 WeakPolarHBondContact O-CG 3.07Å; F253-R257 PolarHBondContact O-N 3.16Å; F253-R257 VanDerWaalsContact O-N 3.09Å
254V98.2Very high96.3Very high3 Ų351 Ų512%0.01827%0.266CS..Hα-helixtrans-63.7-43.4178168.10000111F250 E251 Q256 R257 G258 F260 L279F250-V254 HydrophobicContact CD1-CG2 4.07Å; F250-V254 HydrophobicContact CE1-CG2 3.75Å; F250-V254 HydrophobicContact CE2-CG2 4.33Å; F250-V254 HydrophobicContact CG-CG2 4.5Å; F250-V254 HydrophobicContact CZ-CG2 3.9Å; F250-V254 VanDerWaalsContact O-CG2 3.3Å; F250-V254 WeakPolarHBondContact O-CG2 3.46Å; F250-V254 PolarHBondContact O-N 3.12Å; E251-V254 PolarHBondContact O-N 2.76Å; V254-Q256 PolarHBondContact O-N 3.21Å; V254-R257 PolarHBondContact O-N 3.05Å; V254-G258 PolarHBondContact O-N 3.13Å; V254-F260 HydrophobicContact CG1-CB 3.87Å; V254-L279 HydrophobicContact CG1-CD2 4.43Å; V254-L279 HydrophobicContact CG2-CD2 4.08Å
255E97.8Very high97.1Very high136 Ų13652.2 Ų52.264%0.63627%0.265SS*.Hα-helixtrans-59.6-47.4176.5-74.5-179.3172.700111.8E251 R257 G258E251-E255 WeakPolarHBondContact O-CG 3.39Å; E251-E255 PolarHBondContact O-N 2.72Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 2.95Å; E255-G258 PolarHBondContact O-N 2.92Å; E255-G258 VanDerWaalsContact O-N 3.1Å
256Q97.9Very high97.3Very high152 Ų15255.9 Ų55.971%0.7128%0.279SS*.Hα-helixtrans-61.5-34.6177-73.9172.15.600112.8T252 F253 V254 G258T252-Q256 WeakPolarHBondContact O-CB 3.45Å; T252-Q256 WeakPolarHBondContact O-CG 3.44Å; T252-Q256 PolarHBondContact O-N 2.81Å; T252-Q256 VanDerWaalsContact O-N 3.07Å; F253-Q256 PolarHBondContact O-N 2.98Å; V254-Q256 PolarHBondContact O-N 3.21Å; Q256-G258 VanDerWaalsContact C-N 3.34Å
257R98Very high97.3Very high132 Ų13259.9 Ų59.950%0.49830%0.3SS..Hα-helixtrans-72.5-28.6175.8-69.9-67.5-176.8171.50.9112.6H219 F253 V254 E255 V259H219-R257 WeakPolarHBondContact NE2-CB 2.99Å; F253-R257 HydrophobicContact CD1-CG 4.21Å; F253-R257 HydrophobicContact CE1-CG 3.83Å; F253-R257 HydrophobicContact CZ-CG 4.13Å; F253-R257 VanDerWaalsContact CZ-NE 3.32Å; F253-R257 VanDerWaalsContact O-CG 3.29Å; F253-R257 WeakPolarHBondContact O-CG 3.07Å; F253-R257 PolarHBondContact O-N 3.16Å; F253-R257 VanDerWaalsContact O-N 3.09Å; V254-R257 PolarHBondContact O-N 3.05Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 2.95Å; R257-V259 PolarHBondContact O-N 2.89Å; R257-V259 VanDerWaalsContact O-N 3.16Å
258G97.8Very high96.9Very high40 Ų4060 Ų6041%0.41230%0.302SS..THydrogen-bonded Turntrans68.210.4174.400000115.4V254 E255 Q256V254-G258 PolarHBondContact O-N 3.13Å; E255-G258 PolarHBondContact O-N 2.92Å; E255-G258 VanDerWaalsContact O-N 3.1Å; Q256-G258 VanDerWaalsContact C-N 3.34Å
259V98.3Very high96Very high36 Ų3658.4 Ų58.422%0.21831%0.311CS..SBendtrans-88.6-42-177.5175.80000112.1H223 R257 F281 K282H223-V259 HydrophobicContact CB-CG1 4.37Å; R257-V259 PolarHBondContact O-N 2.89Å; R257-V259 VanDerWaalsContact O-N 3.16Å; V259-F281 HydrophobicContact CG1-CD1 3.91Å; V259-F281 HydrophobicContact CG1-CE1 3.81Å; V259-K282 PolarHBondContact O-N 3.46Å
260F98.6Very high94.8Very high2 Ų262.8 Ų62.81%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-113147.6-176.6-60.4-71.5000111.5H219 L222 H223 L226 V254 L279 R280 F281 K282H219-F260 AromaticContact CD2-CD2 3.95Å; H219-F260 AromaticContact NE2-CD2 3.54Å; H219-F260 AromaticContact NE2-CE2 3.87Å; L222-F260 HydrophobicContact CB-CE2 4.07Å; L222-F260 HydrophobicContact CB-CZ 3.95Å; H223-F260 HydrophobicContact CB-CE2 4.06Å; H223-F260 HydrophobicContact CB-CZ 3.99Å; L226-F260 HydrophobicContact CD2-CE1 3.74Å; V254-F260 HydrophobicContact CG1-CB 3.87Å; F260-L279 HydrophobicContact CB-CB 4.28Å; F260-L279 HydrophobicContact CB-CD2 4.19Å; F260-L279 HydrophobicContact CD2-CD2 4.4Å; F260-L279 HydrophobicContact CG-CB 4.46Å; F260-L279 HydrophobicContact CG-CD2 4.35Å; F260-R280 CarbonylContact C-O 3.47Å; F260-R280 VanDerWaalsContact CA-O 3.25Å; F260-R280 WeakPolarHBondContact CA-O 3.38Å; F260-F281 AromaticContact CD1-CD1 3.94Å; F260-F281 HydrophobicContact CD1-CD1 3.94Å; F260-F281 HydrophobicContact CD1-CE1 4.17Å; F260-F281 AromaticContact CE1-CD1 3.64Å; F260-F281 HydrophobicContact CE1-CD1 3.64Å; F260-F281 AromaticContact CE1-CE1 3.42Å; F260-F281 HydrophobicContact CE1-CE1 3.42Å; F260-F281 VanDerWaalsContact CE1-CE1 3.42Å; F260-F281 HydrophobicContact CE1-CG 4.29Å; F260-F281 AromaticContact CE1-CZ 3.94Å; F260-F281 HydrophobicContact CE1-CZ 3.94Å; F260-F281 HydrophobicContact CZ-CD1 4.45Å; F260-F281 AromaticContact CZ-CE1 3.87Å; F260-F281 HydrophobicContact CZ-CE1 3.87Å; F260-F281 HydrophobicContact CZ-CZ 4.36Å; F260-K282 WeakPolarHBondContact O-CE 3.4Å
261S97.8Very high93.6Very high35 Ų3566.4 Ų66.425%0.24537%0.367CS..EExtended strand (participates in β ladder)trans-89.6151.6153.761.80000108.7L279 R280S261-L279 VanDerWaalsContact O-CA 3.28Å; S261-L279 WeakPolarHBondContact O-CA 3.3Å; S261-R280 PolarHBondContact N-O 3.14Å; S261-R280 PolarHBondContact O-N 3.22Å; S261-R280 VanDerWaalsContact O-N 3.11Å; S261-R280 VanDerWaalsContact OG-CG 3.3Å; S261-R280 WeakPolarHBondContact OG-CG 3.27Å; S261-R280 PolarHBondContact OG-O 3.05Å
262L97.9Very high92.6Very high32 Ų3268.3 Ų68.317%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-128.9126.1178-175.7156.4000107.8F250 E251 V277 V278 L279F250-L262 HydrophobicContact CD1-CD1 4.42Å; E251-L262 HydrophobicContact CG-CD1 3.93Å; E251-L262 HydrophobicContact CG-CD2 3.97Å; E251-L262 WeakPolarHBondContact OE1-CD2 3.38Å; L262-V277 HydrophobicContact CD1-CG2 4.06Å; L262-V277 HydrophobicContact CD2-CB 3.76Å; L262-V277 HydrophobicContact CD2-CG1 3.92Å; L262-V277 HydrophobicContact CD2-CG2 4.12Å; L262-V277 HydrophobicContact CG-CB 4.1Å; L262-V277 HydrophobicContact CG-CG2 4.06Å; L262-V278 WeakPolarHBondContact CA-O 3.32Å; L262-L279 HydrophobicContact CB-CG 4.25Å; L262-L279 HydrophobicContact CD1-CD1 4.03Å; L262-L279 HydrophobicContact CD1-CD2 4.39Å; L262-L279 HydrophobicContact CD1-CG 4.04Å; L262-L279 HydrophobicContact CG-CD1 4.26Å; L262-L279 HydrophobicContact CG-CG 4.16Å
263D97.3Very high92.2Very high66 Ų6671.1 Ų71.135%0.35339%0.388SS..EExtended strand (participates in β ladder)trans-122145.7176.6-57.8-61.9000110.5V277 V278 R280D263-V277 CarbonylContact O-C 3.57Å; D263-V277 VanDerWaalsContact O-CA 3.23Å; D263-V277 WeakPolarHBondContact O-CA 3.44Å; D263-V277 WeakPolarHBondContact O-CB 3.48Å; D263-V278 HydrophobicContact CB-CG1 4Å; D263-V278 PolarHBondContact N-O 2.76Å; D263-V278 PolarHBondContact O-N 3.21Å; D263-R280 IonicContact OD2-CZ 3.05Å; D263-R280 IonicContact OD2-NH1 2.59Å; D263-R280 PolarHBondContact OD2-NH1 3.04Å; D263-R280 IonicContact OD2-NH2 2.99Å; D263-R280 PolarHBondContact OD2-NH2 2.9Å
264H96.9Very high92.1Very high78 Ų7872.1 Ų72.136%0.36139%0.391SS..EExtended strand (participates in β ladder)trans-80.7126.6174.2-75.5-120.7000111L247 E251 D267L247-H264 VanDerWaalsContact CD2-CE1 3.43Å; L247-H264 WeakPolarHBondContact CD2-CE1 3.38Å; E251-H264 IonicContact OE1-CD2 3.94Å; E251-H264 IonicContact OE1-CE1 3.58Å; E251-H264 IonicContact OE1-NE2 3.2Å; E251-H264 PolarHBondContact OE1-NE2 2.98Å; H264-D267 IonicContact CE1-OD1 3.57Å; H264-D267 PolarHBondContact CE1-OD1 3.22Å; H264-D267 IonicContact CG-OD1 3.22Å; H264-D267 IonicContact ND1-OD1 2.79Å; H264-D267 PolarHBondContact ND1-OD1 3.39Å; H264-D267 IonicContact ND1-OD2 2.65Å
265L95.8Very high92Very high54 Ų5473 Ų7328%0.28340%0.395SS..EExtended strand (participates in β ladder)trans-95.4-34.2171-62.2-175.3000111.5I86 Y233 V276 V278I86-L265 HydrophobicContact CG2-CD1 4.22Å; Y233-L265 HydrophobicContact CD1-CD1 3.67Å; Y233-L265 HydrophobicContact CE1-CD1 3.53Å; L265-V276 WeakPolarHBondContact CA-O 3.3Å; L265-V276 HydrophobicContact CB-CG1 4.38Å; L265-V276 WeakPolarHBondContact CB-O 3.38Å; L265-V276 HydrophobicContact CD1-CG1 4.35Å; L265-V276 PolarHBondContact N-O 2.96Å; L265-V278 HydrophobicContact CD1-CB 3.93Å; L265-V278 HydrophobicContact CD1-CG1 4.23Å; L265-V278 HydrophobicContact CD2-CB 4.39Å; L265-V278 HydrophobicContact CD2-CG1 3.77Å; L265-V278 HydrophobicContact CG-CB 4.08Å; L265-V278 HydrophobicContact CG-CG1 3.92Å
266W96Very high92Very high76 Ų7666.5 Ų66.529%0.28836%0.364SS..EExtended strand (participates in β ladder)trans-156.8143179.4176.785.6000112.2D82 I86 R274 H275 V276D82-W266 HydrophobicContact CB-CE3 4.45Å; D82-W266 HydrophobicContact CB-CZ3 4.08Å; I86-W266 HydrophobicContact CD1-CB 3.69Å; I86-W266 HydrophobicContact CD1-CG 4.28Å; I86-W266 HydrophobicContact CG1-CB 4.39Å; W266-R274 HydrophobicContact CH2-CB 4.48Å; W266-R274 HydrophobicContact CZ3-CB 3.98Å; W266-H275 CarbonylContact O-C 3.49Å; W266-H275 VanDerWaalsContact O-CA 3.31Å; W266-H275 WeakPolarHBondContact O-CA 3.09Å; W266-V276 HydrophobicContact CB-CB 4.26Å; W266-V276 HydrophobicContact CE3-CG2 4.02Å; W266-V276 PolarHBondContact N-O 3.25Å; W266-V276 VanDerWaalsContact N-O 3.07Å; W266-V276 PolarHBondContact O-N 3.15Å
267D93.8Very high92Very high85 Ų8559.3 Ų59.346%0.45533%0.331SS..EExtended strand (participates in β ladder)trans-125.7118.6175.4-61.3-64.7000109.1H264 H275H264-D267 IonicContact CE1-OD1 3.57Å; H264-D267 PolarHBondContact CE1-OD1 3.22Å; H264-D267 IonicContact CG-OD1 3.22Å; H264-D267 IonicContact ND1-OD1 2.79Å; H264-D267 PolarHBondContact ND1-OD1 3.39Å; H264-D267 IonicContact ND1-OD2 2.65Å; D267-H275 IonicContact OD1-CE1 2.88Å; D267-H275 PolarHBondContact OD1-CE1 3.05Å; D267-H275 IonicContact OD1-CG 3.7Å; D267-H275 IonicContact OD1-ND1 2.69Å; D267-H275 PolarHBondContact OD1-ND1 3.06Å
268G88.6Confident92Very high7 Ų753.1 Ų53.17%0.07231%0.307CS..  trans-72128.7177.300000111.6R274G268-R274 PolarHBondContact N-O 3.41Å
269A76Confident92.1Very high95 Ų9551.2 Ų51.279%0.78529%0.288SS*.  trans-91.1-15.5-175.500000114.4
270E72.2Confident92.1Very high170 Ų17053.9 Ų53.979%0.79429%0.294SS*.SBendtrans-117.3143.4-171.6-64.3-171.8179.400113
271G73.6Confident92.1Very high76 Ų7656.2 Ų56.278%0.78430%0.304SS*.SBendtrans68.8-146.3176.300000113.8Q273G271-Q273 PolarHBondContact O-N 3.18Å; G271-Q273 VanDerWaalsContact O-N 3.17Å
272L76.8Confident91.9Very high81 Ų8159.6 Ų59.642%0.42432%0.315SS..SBendtrans-67.3112.1169.4-177.168.5000107.8K237 F241 R274K237-L272 HydrophobicContact CB-CD2 4.23Å; K237-L272 HydrophobicContact CD-CD2 3.57Å; K237-L272 HydrophobicContact CG-CD2 3.78Å; K237-L272 HydrophobicContact CG-CG 4.26Å; F241-L272 HydrophobicContact CE2-CD1 3.98Å; L272-R274 WeakPolarHBondContact O-CG 3.43Å; L272-R274 PolarHBondContact O-N 2.74Å
273Q89.7Confident91.1Very high106 Ų10671.3 Ų71.350%0.49536%0.364SS..  trans-55.9133.1-174.8-74-174.8-26.900111.6K237 S238 G271K237-Q273 CarbonylContact C-O 3.56Å; K237-Q273 WeakPolarHBondContact CA-O 3.1Å; S238-Q273 PolarHBondContact N-O 3.16Å; S238-Q273 WeakPolarHBondContact OG-CB 3.48Å; S238-Q273 PolarHBondContact OG-O 2.72Å; G271-Q273 PolarHBondContact O-N 3.18Å; G271-Q273 VanDerWaalsContact O-N 3.17Å
274R94.8Very high90.8Very high53 Ų5371.6 Ų71.620%0.237%0.365CS..EExtended strand (participates in β ladder)trans-122.8157.3178-55.7-167.9-53.5-87.9-1.3109.2E78 D82 T236 K237 W266 G268 L272E78-R274 IonicContact OE1-NH1 3.88Å; D82-R274 IonicContact OD1-CZ 2.98Å; D82-R274 IonicContact OD1-NE 3.99Å; D82-R274 PolarHBondContact OD1-NE 3.24Å; D82-R274 IonicContact OD1-NH2 2.67Å; D82-R274 PolarHBondContact OD1-NH2 2.54Å; D82-R274 WeakPolarHBondContact OD2-CD 3.47Å; D82-R274 IonicContact OD2-CZ 2.94Å; D82-R274 IonicContact OD2-NE 2.94Å; D82-R274 PolarHBondContact OD2-NE 2.96Å; D82-R274 IonicContact OD2-NH2 3.14Å; T236-R274 CarbonylContact O-C 3.49Å; T236-R274 VanDerWaalsContact O-CA 3.3Å; T236-R274 WeakPolarHBondContact O-CA 3.25Å; K237-R274 HydrophobicContact CG-CG 4.06Å; W266-R274 HydrophobicContact CH2-CB 4.48Å; W266-R274 HydrophobicContact CZ3-CB 3.98Å; G268-R274 PolarHBondContact N-O 3.41Å; L272-R274 WeakPolarHBondContact O-CG 3.43Å; L272-R274 PolarHBondContact O-N 2.74Å
275H96.9Very high90.5Very high21 Ų2171.3 Ų71.310%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-142.1145.4-175.5-53.1-86000109.8A235 T236 S238 L247 W266 D267 V277A235-H275 CarbonylContact C-O 3.55Å; A235-H275 VanDerWaalsContact CA-O 3.23Å; A235-H275 WeakPolarHBondContact CA-O 3.45Å; T236-H275 HydrophobicContact CG2-CB 4.39Å; T236-H275 PolarHBondContact N-O 3.4Å; T236-H275 PolarHBondContact O-N 3.17Å; S238-H275 WeakPolarHBondContact CB-NE2 3.45Å; S238-H275 PolarHBondContact OG-CD2 3.04Å; S238-H275 PolarHBondContact OG-NE2 3.29Å; L247-H275 HydrophobicContact CD2-CB 3.61Å; W266-H275 CarbonylContact O-C 3.49Å; W266-H275 VanDerWaalsContact O-CA 3.31Å; W266-H275 WeakPolarHBondContact O-CA 3.09Å; D267-H275 IonicContact OD1-CE1 2.88Å; D267-H275 PolarHBondContact OD1-CE1 3.05Å; D267-H275 IonicContact OD1-CG 3.7Å; D267-H275 IonicContact OD1-ND1 2.69Å; D267-H275 PolarHBondContact OD1-ND1 3.06Å; H275-V277 HydrophobicContact CB-CG1 4.32Å
276V97.8Very high90.2Very high0 Ų072.2 Ų72.20%037%0.37CS..EExtended strand (participates in β ladder)trans-113.5121.6161.9-175.10000107.2D82 I83 I86 A235 L265 W266D82-V276 HydrophobicContact CB-CG2 3.71Å; I83-V276 HydrophobicContact CG1-CG1 4.34Å; I86-V276 HydrophobicContact CG1-CB 4.27Å; I86-V276 HydrophobicContact CG1-CG1 4.25Å; I86-V276 HydrophobicContact CG1-CG2 4.12Å; A235-V276 HydrophobicContact CB-CG2 4.05Å; L265-V276 WeakPolarHBondContact CA-O 3.3Å; L265-V276 HydrophobicContact CB-CG1 4.38Å; L265-V276 WeakPolarHBondContact CB-O 3.38Å; L265-V276 HydrophobicContact CD1-CG1 4.35Å; L265-V276 PolarHBondContact N-O 2.96Å; W266-V276 HydrophobicContact CB-CB 4.26Å; W266-V276 HydrophobicContact CE3-CG2 4.02Å; W266-V276 PolarHBondContact N-O 3.25Å; W266-V276 VanDerWaalsContact N-O 3.07Å; W266-V276 PolarHBondContact O-N 3.15Å
277V98.1Very high89.9Confident0 Ų072 Ų720%037%0.374CS..EExtended strand (participates in β ladder)trans-123.3155.4179.3-55.30000109.9L234 L247 L262 D263 H275 L279L234-V277 HydrophobicContact CB-CG2 3.92Å; L234-V277 HydrophobicContact CD2-CG2 3.8Å; L234-V277 HydrophobicContact CG-CG2 4.43Å; L234-V277 PolarHBondContact N-O 3.23Å; L234-V277 PolarHBondContact O-N 2.71Å; L247-V277 HydrophobicContact CD1-CG1 3.97Å; L247-V277 HydrophobicContact CD1-CG2 4.18Å; L247-V277 HydrophobicContact CD2-CG1 3.98Å; L262-V277 HydrophobicContact CD1-CG2 4.06Å; L262-V277 HydrophobicContact CD2-CB 3.76Å; L262-V277 HydrophobicContact CD2-CG1 3.92Å; L262-V277 HydrophobicContact CD2-CG2 4.12Å; L262-V277 HydrophobicContact CG-CB 4.1Å; L262-V277 HydrophobicContact CG-CG2 4.06Å; D263-V277 CarbonylContact O-C 3.57Å; D263-V277 VanDerWaalsContact O-CA 3.23Å; D263-V277 WeakPolarHBondContact O-CA 3.44Å; D263-V277 WeakPolarHBondContact O-CB 3.48Å; H275-V277 HydrophobicContact CB-CG1 4.32Å; V277-L279 HydrophobicContact CG2-CD1 4.18Å
278V98.1Very high89.6Confident2 Ų271.2 Ų71.21%0.01237%0.369CS..EExtended strand (participates in β ladder)trans-119129.3176.264.70000110.6L231 V232 Y233 L262 D263 L265 R280L231-V278 HydrophobicContact CB-CG2 4.01Å; L231-V278 HydrophobicContact CD1-CG2 4.48Å; L231-V278 HydrophobicContact CD2-CG2 3.97Å; L231-V278 HydrophobicContact CG-CG2 4.37Å; V232-V278 CarbonylContact O-C 3.59Å; V232-V278 VanDerWaalsContact O-CA 3.24Å; V232-V278 WeakPolarHBondContact O-CA 3.44Å; Y233-V278 HydrophobicContact CD1-CG2 4.48Å; Y233-V278 HydrophobicContact CE1-CG2 4.34Å; L262-V278 WeakPolarHBondContact CA-O 3.32Å; D263-V278 HydrophobicContact CB-CG1 4Å; D263-V278 PolarHBondContact N-O 2.76Å; D263-V278 PolarHBondContact O-N 3.21Å; L265-V278 HydrophobicContact CD1-CB 3.93Å; L265-V278 HydrophobicContact CD1-CG1 4.23Å; L265-V278 HydrophobicContact CD2-CB 4.39Å; L265-V278 HydrophobicContact CD2-CG1 3.77Å; L265-V278 HydrophobicContact CG-CB 4.08Å; L265-V278 HydrophobicContact CG-CG1 3.92Å; V278-R280 VanDerWaalsContact CG1-NH2 3.27Å
279L98.6Very high89.7Confident0 Ų075.5 Ų75.50%039%0.389CS..EExtended strand (participates in β ladder)trans-103.4142.8171-59.675.6000110.4L222 V232 L234 F250 V254 F260 S261 L262 V277L222-L279 HydrophobicContact CD1-CD2 4.48Å; V232-L279 HydrophobicContact CB-CB 4.02Å; V232-L279 HydrophobicContact CB-CD1 4.41Å; V232-L279 HydrophobicContact CG1-CD1 4.5Å; V232-L279 HydrophobicContact CG2-CB 4.32Å; V232-L279 PolarHBondContact N-O 2.87Å; V232-L279 PolarHBondContact O-N 3.12Å; L234-L279 HydrophobicContact CB-CD1 4.12Å; F250-L279 HydrophobicContact CE1-CD2 4.12Å; V254-L279 HydrophobicContact CG1-CD2 4.43Å; V254-L279 HydrophobicContact CG2-CD2 4.08Å; F260-L279 HydrophobicContact CB-CB 4.28Å; F260-L279 HydrophobicContact CB-CD2 4.19Å; F260-L279 HydrophobicContact CD2-CD2 4.4Å; F260-L279 HydrophobicContact CG-CB 4.46Å; F260-L279 HydrophobicContact CG-CD2 4.35Å; S261-L279 VanDerWaalsContact O-CA 3.28Å; S261-L279 WeakPolarHBondContact O-CA 3.3Å; L262-L279 HydrophobicContact CB-CG 4.25Å; L262-L279 HydrophobicContact CD1-CD1 4.03Å; L262-L279 HydrophobicContact CD1-CD2 4.39Å; L262-L279 HydrophobicContact CD1-CG 4.04Å; L262-L279 HydrophobicContact CG-CD1 4.26Å; L262-L279 HydrophobicContact CG-CG 4.16Å; V277-L279 HydrophobicContact CG2-CD1 4.18Å
280R98.3Very high90.7Very high92 Ų9274.1 Ų74.135%0.34736%0.361SS..EExtended strand (participates in β ladder)trans-146.6158.4171.566.4-174.879.9103.88.7110.3L231 F260 S261 D263 V278 K282L231-R280 HydrophobicContact CD2-CB 3.92Å; F260-R280 CarbonylContact C-O 3.47Å; F260-R280 VanDerWaalsContact CA-O 3.25Å; F260-R280 WeakPolarHBondContact CA-O 3.38Å; S261-R280 PolarHBondContact N-O 3.14Å; S261-R280 PolarHBondContact O-N 3.22Å; S261-R280 VanDerWaalsContact O-N 3.11Å; S261-R280 VanDerWaalsContact OG-CG 3.3Å; S261-R280 WeakPolarHBondContact OG-CG 3.27Å; S261-R280 PolarHBondContact OG-O 3.05Å; D263-R280 IonicContact OD2-CZ 3.05Å; D263-R280 IonicContact OD2-NH1 2.59Å; D263-R280 PolarHBondContact OD2-NH1 3.04Å; D263-R280 IonicContact OD2-NH2 2.99Å; D263-R280 PolarHBondContact OD2-NH2 2.9Å; V278-R280 VanDerWaalsContact CG1-NH2 3.27Å; R280-K282 PolarHBondContact O-N 3.47Å
281F98.5Very high92.1Very high52 Ų5266.7 Ų66.723%0.22833%0.327CS..EExtended strand (participates in β ladder)trans-58.5136.9176.7-73.2-60.6000110.8H223 L226 G227 V259 F260 K283H223-F281 AromaticContact CD2-CE1 3.63Å; L226-F281 HydrophobicContact CB-CE2 3.99Å; L226-F281 HydrophobicContact CB-CZ 4.07Å; L226-F281 HydrophobicContact CD2-CD2 4.22Å; L226-F281 HydrophobicContact CD2-CE2 3.95Å; L226-F281 HydrophobicContact CD2-CZ 4.34Å; L226-F281 HydrophobicContact CG-CE2 4.12Å; G227-F281 WeakPolarHBondContact O-CE2 3.39Å; V259-F281 HydrophobicContact CG1-CD1 3.91Å; V259-F281 HydrophobicContact CG1-CE1 3.81Å; F260-F281 AromaticContact CD1-CD1 3.94Å; F260-F281 HydrophobicContact CD1-CD1 3.94Å; F260-F281 HydrophobicContact CD1-CE1 4.17Å; F260-F281 AromaticContact CE1-CD1 3.64Å; F260-F281 HydrophobicContact CE1-CD1 3.64Å; F260-F281 AromaticContact CE1-CE1 3.42Å; F260-F281 HydrophobicContact CE1-CE1 3.42Å; F260-F281 VanDerWaalsContact CE1-CE1 3.42Å; F260-F281 HydrophobicContact CE1-CG 4.29Å; F260-F281 AromaticContact CE1-CZ 3.94Å; F260-F281 HydrophobicContact CE1-CZ 3.94Å; F260-F281 HydrophobicContact CZ-CD1 4.45Å; F260-F281 AromaticContact CZ-CE1 3.87Å; F260-F281 HydrophobicContact CZ-CE1 3.87Å; F260-F281 HydrophobicContact CZ-CZ 4.36Å; F281-K283 PolarHBondContact O-N 3.27Å
282K94.6Very high93.6Very high106 Ų10665.9 Ų65.946%0.46129%0.289SS..  trans-61.3137.8169.8-67.4-165.1-177.8-175.40108.9V259 F260 R280V259-K282 PolarHBondContact O-N 3.46Å; F260-K282 WeakPolarHBondContact O-CE 3.4Å; R280-K282 PolarHBondContact O-N 3.47Å
283K81.4Confident95.2Very high278 Ų27864.5 Ų64.5100%1.20928%0.277SS*.  trans-79.60172.2-68.6-175.8179.5178.50110.9F281F281-K283 PolarHBondContact O-N 3.27Å

Retrieved 283 of 283 residues in 542.5 ms (Link to these results)

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