G4VEL9_SCHMA Loading...

Putative gas41

AlphaFold DB , UniProt , Accession G4VEL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low55.4Low240 Ų240146.9 Ų146.9100%1.18278%0.776SS**  089.40-60.9174.172.800105.5
2S46.4Very low58.7Low110 Ų110141.2 Ų141.277%0.76975%0.751SS**  -173.871.877.851.10000111.3
3E46.7Very low61.6Low185 Ų185131.1 Ų131.186%0.86470%0.698SS**SBendtrans-104.8-14.5171-80-178.2160.700113.4
4D47.1Very low64.1Low162 Ų162126.3 Ų126.387%0.86668%0.676SS**SBendtrans-102.115.6-174.4-60.9-45.6000115.2
5V48.6Very low66.3Low120 Ų120119.3 Ų119.373%0.72764%0.637SS**  trans-120.842.7175.9-159.60000110.8E7V5-E7 PolarHBondContact O-N 3.01Å
6V48.2Very low68.2Low128 Ų128114.1 Ų114.178%0.77661%0.612SS**SBendtrans-85.383.6146.2-172.30000104.6N8V6-N8 PolarHBondContact O-N 3.47Å
7E51.9Low69.9Low150 Ų150107.4 Ų107.470%0.70158%0.576SS**  trans-36.4128.1168.6-118.5169.8174.900109.2V5 L9V5-E7 PolarHBondContact O-N 3.01Å; E7-L9 PolarHBondContact O-N 3.33Å
8N54.5Low71.5Confident162 Ų162101.4 Ų101.487%0.86654%0.544SS*.  trans-54.580.6171.8-77.9-30.8000109.9V6 K10V6-N8 PolarHBondContact O-N 3.47Å; N8-K10 VanDerWaalsContact C-N 3.31Å; N8-K10 PolarHBondContact O-N 3.48Å
9L60.3Low72.9Confident136 Ų13697.4 Ų97.471%0.71252%0.52SS*.  trans-68.498.9169.5-71.4175.4000105.6E7 T11E7-L9 PolarHBondContact O-N 3.33Å; L9-T11 PolarHBondContact O-N 3.12Å; L9-T11 PolarHBondContact O-OG1 3.47Å; L9-T11 VanDerWaalsContact O-OG1 3.11Å
10K77.4Confident74.2Confident167 Ų16792.6 Ų92.673%0.72649%0.494SS*.  trans-54.3112.5174.8-73.9-170.7176.6-176.80108.3N8 D139N8-K10 VanDerWaalsContact C-N 3.31Å; N8-K10 PolarHBondContact O-N 3.48Å; K10-D139 WeakPolarHBondContact CA-OD1 3.41Å
11T91Very high75.3Confident56 Ų5688.1 Ų88.134%0.34447%0.471SS..  trans-97.4114.4-176.1-630000107.5L9 V13 D139 P140 Y145L9-T11 PolarHBondContact O-N 3.12Å; L9-T11 PolarHBondContact O-OG1 3.47Å; L9-T11 VanDerWaalsContact O-OG1 3.11Å; T11-V13 HydrophobicContact CG2-CG2 4.36Å; T11-D139 PolarHBondContact N-OD1 2.98Å; T11-D139 PolarHBondContact O-N 3.42Å; T11-P140 WeakPolarHBondContact O-CD 3.44Å; T11-Y145 HydrophobicContact CG2-CD2 3.83Å; T11-Y145 HydrophobicContact CG2-CE2 3.41Å; T11-Y145 VanDerWaalsContact CG2-CE2 3.41Å
12T95.2Very high78.2Confident78 Ų7878.6 Ų78.648%0.47943%0.426SS..EExtended strand (participates in β ladder)trans-106.5125.2175.1-58.80000109.3V14 V136 F137T12-V14 HydrophobicContact CG2-CG2 4.28Å; T12-V136 HydrophobicContact CG2-CG1 3.68Å; T12-F137 CarbonylContact C-O 3.51Å; T12-F137 WeakPolarHBondContact CA-O 3.32Å
13V96.1Very high80.7Confident10 Ų1073.5 Ų73.56%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-112.9128.8173.8-1750000108.9T11 F137 P140 Y145 L148 M149T11-V13 HydrophobicContact CG2-CG2 4.36Å; V13-F137 PolarHBondContact N-O 3.04Å; V13-F137 PolarHBondContact O-N 3.35Å; V13-P140 HydrophobicContact CG2-CG 4.25Å; V13-Y145 HydrophobicContact CG2-CD2 3.59Å; V13-Y145 HydrophobicContact CG2-CE2 3.53Å; V13-L148 HydrophobicContact CB-CD1 4.15Å; V13-L148 HydrophobicContact CG1-CB 4Å; V13-L148 HydrophobicContact CG1-CD1 4.25Å; V13-L148 HydrophobicContact CG2-CD1 4.44Å; V13-M149 HydrophobicContact CG1-SD 4.15Å; V13-M149 HydrophobicContact CG2-SD 4.43Å
14V96.7Very high83.1Confident64 Ų6471.4 Ų71.439%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-111.5129.1179.7-176.60000109.3T12 E134 M135 V136T12-V14 HydrophobicContact CG2-CG2 4.28Å; V14-E134 HydrophobicContact CG1-CB 3.79Å; V14-E134 HydrophobicContact CG1-CG 3.97Å; V14-M135 CarbonylContact C-O 3.6Å; V14-M135 WeakPolarHBondContact CA-O 3.13Å; V14-V136 HydrophobicContact CG2-CG2 4.39Å
15K96.9Very high85.5Confident22 Ų2266.8 Ų66.810%0.09635%0.345CS..EExtended strand (participates in β ladder)trans-119.6100.1178-71.1-60.9-165.4170.20110.9E50 F55 M135 F137 L148K15-E50 IonicContact NZ-OE1 2.71Å; K15-E50 PolarHBondContact NZ-OE1 3.38Å; K15-F55 HydrophobicContact CB-CE2 4.35Å; K15-F55 HydrophobicContact CB-CZ 4.14Å; K15-F55 HydrophobicContact CD-CE1 4.04Å; K15-F55 HydrophobicContact CD-CZ 4.06Å; K15-F55 HydrophobicContact CG-CE1 4.26Å; K15-F55 HydrophobicContact CG-CE2 4.25Å; K15-F55 HydrophobicContact CG-CZ 3.94Å; K15-M135 HydrophobicContact CB-CB 4.18Å; K15-M135 PolarHBondContact N-O 3.02Å; K15-M135 PolarHBondContact O-N 3.45Å; K15-F137 HydrophobicContact CB-CE2 4.17Å; K15-F137 HydrophobicContact CG-CD2 4.44Å; K15-F137 HydrophobicContact CG-CE2 3.98Å; K15-L148 WeakPolarHBondContact CE-O 3.48Å; K15-L148 HydrophobicContact CG-CD2 3.95Å; K15-L148 PolarHBondContact NZ-O 2.88Å
16P97.1Very high87.7Confident35 Ų3564.3 Ų64.323%0.22733%0.327CS..EExtended strand (participates in β ladder)trans-64.2130.4175.5-26.137.9000112.7Y46 Y132P16-Y46 HydrophobicContact CB-CD1 4.14Å; P16-Y46 HydrophobicContact CB-CG 4.14Å; P16-Y46 PolarHBondContact O-N 2.9Å; P16-Y46 VanDerWaalsContact O-N 3.13Å; P16-Y132 HydrophobicContact CB-CE2 3.86Å; P16-Y132 WeakPolarHBondContact CB-OH 3.44Å
17I97.4Very high89.8Confident0 Ų060.5 Ų60.50%032%0.315CS..EExtended strand (participates in β ladder)trans-131.7163.4179.854.3157.2000111.2Y19 L43 R44 L52 I107 D133 M135I17-Y19 HydrophobicContact CD1-CD1 4.38Å; I17-L43 HydrophobicContact CB-CD1 4.16Å; I17-L43 HydrophobicContact CD1-CD1 3.65Å; I17-L43 HydrophobicContact CG1-CD1 4.47Å; I17-R44 WeakPolarHBondContact CA-O 3.18Å; I17-L52 HydrophobicContact CG2-CD2 4.44Å; I17-I107 HydrophobicContact CD1-CD1 3.89Å; I17-D133 HydrophobicContact CD1-CB 4.22Å; I17-D133 HydrophobicContact CG1-CB 4.11Å; I17-D133 VanDerWaalsContact CG1-O 3.32Å; I17-D133 WeakPolarHBondContact CG1-O 3.03Å; I17-D133 PolarHBondContact N-O 3.48Å; I17-D133 PolarHBondContact O-N 2.67Å; I17-D133 VanDerWaalsContact O-O 3.1Å; I17-M135 HydrophobicContact CD1-CE 3.69Å; I17-M135 HydrophobicContact CD1-CG 3.94Å; I17-M135 HydrophobicContact CG1-CE 4.43Å; I17-M135 HydrophobicContact CG1-CG 4.18Å; I17-M135 HydrophobicContact CG2-CE 3.8Å; I17-M135 HydrophobicContact CG2-CG 4.22Å; I17-M135 HydrophobicContact CG2-SD 4.31Å
18V98.1Very high91.8Very high0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-129.1123.3171.2178.60000107.9F42 R44 Y46 E130 I131 F167V18-F42 HydrophobicContact CG1-CE2 4.4Å; V18-R44 PolarHBondContact N-O 3.39Å; V18-R44 PolarHBondContact O-N 3.1Å; V18-Y46 HydrophobicContact CG2-CD2 4.05Å; V18-E130 HydrophobicContact CG1-CB 3.86Å; V18-E130 HydrophobicContact CG1-CG 4.18Å; V18-I131 WeakPolarHBondContact CA-O 3.34Å; V18-F167 HydrophobicContact CB-CE2 4.41Å; V18-F167 HydrophobicContact CB-CZ 4.42Å; V18-F167 HydrophobicContact CG1-CE2 3.92Å; V18-F167 HydrophobicContact CG1-CZ 3.65Å; V18-F167 HydrophobicContact CG2-CD2 4.3Å; V18-F167 HydrophobicContact CG2-CE2 3.55Å; V18-F167 HydrophobicContact CG2-CZ 3.84Å
19Y98.4Very high93.7Very high26 Ų2659 Ų5910%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-121.4157.5170.667.1-92.5000110.4I17 F42 I107 H109 I131 D133I17-Y19 HydrophobicContact CD1-CD1 4.38Å; Y19-F42 VanDerWaalsContact CA-O 3.22Å; Y19-F42 WeakPolarHBondContact CA-O 3.43Å; Y19-F42 WeakPolarHBondContact CB-O 3.49Å; Y19-I107 HydrophobicContact CD1-CD1 4.03Å; Y19-I107 HydrophobicContact CD1-CG2 3.84Å; Y19-I107 HydrophobicContact CD2-CG2 3.62Å; Y19-I107 HydrophobicContact CE1-CD1 4.4Å; Y19-I107 HydrophobicContact CE1-CG2 3.62Å; Y19-I107 HydrophobicContact CE2-CG2 3.41Å; Y19-I107 VanDerWaalsContact CE2-CG2 3.41Å; Y19-I107 HydrophobicContact CG-CD1 4.46Å; Y19-I107 HydrophobicContact CG-CG2 3.82Å; Y19-I107 VanDerWaalsContact CZ-CG2 3.42Å; Y19-H109 HydrophobicContact CD2-CB 3.96Å; Y19-H109 HydrophobicContact CE2-CB 3.95Å; Y19-I131 HydrophobicContact CD2-CB 4.33Å; Y19-I131 HydrophobicContact CE1-CB 4.19Å; Y19-I131 HydrophobicContact CE1-CG2 3.91Å; Y19-I131 HydrophobicContact CE2-CB 3.92Å; Y19-I131 HydrophobicContact CE2-CD1 3.72Å; Y19-I131 HydrophobicContact CE2-CG1 4.33Å; Y19-I131 HydrophobicContact CE2-CG2 4.2Å; Y19-I131 PolarHBondContact N-O 2.87Å; Y19-I131 PolarHBondContact O-N 2.83Å; Y19-D133 HydrophobicContact CD1-CB 4.18Å; Y19-D133 HydrophobicContact CE1-CB 3.66Å
20G98.4Very high95.2Very high0 Ų055.6 Ų55.60%028%0.276CS..EExtended strand (participates in β ladder)trans169-163.1-17600000113.9A41 F42 R129G20-A41 CarbonylContact O-C 3.59Å; G20-A41 WeakPolarHBondContact O-CA 3.48Å; G20-F42 PolarHBondContact N-O 2.69Å; G20-F42 VanDerWaalsContact N-O 3.08Å; G20-F42 PolarHBondContact O-N 3.21Å; G20-R129 CarbonylContact C-O 3.48Å; G20-R129 WeakPolarHBondContact CA-O 3.43Å
21N98.6Very high95.9Very high0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans-143149.8169.178-83.9000112.6T40 H109 I111 K112 R129N21-T40 CarbonylContact C-O 3.55Å; N21-T40 WeakPolarHBondContact CA-O 3.36Å; N21-T40 WeakPolarHBondContact CB-O 3.49Å; N21-H109 PolarHBondContact N-NE2 2.68Å; N21-H109 PolarHBondContact OD1-NE2 3.48Å; N21-I111 HydrophobicContact CB-CD1 3.69Å; N21-K112 PolarHBondContact ND2-O 3.38Å; N21-K112 PolarHBondContact OD1-N 3.22Å; N21-K112 VanDerWaalsContact OD1-N 3.08Å; N21-R129 PolarHBondContact N-O 2.79Å; N21-R129 PolarHBondContact O-N 2.91Å
22V98.2Very high95.9Very high39 Ų3960.3 Ų60.324%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-107.5139.6162.3177.70000107.2W39 T40 F42 L127 V128V22-W39 CarbonylContact O-C 3.6Å; V22-W39 VanDerWaalsContact O-CA 3.22Å; V22-W39 WeakPolarHBondContact O-CA 3.41Å; V22-T40 PolarHBondContact N-O 3.02Å; V22-T40 PolarHBondContact O-N 2.61Å; V22-F42 HydrophobicContact CG2-CE1 3.78Å; V22-F42 HydrophobicContact CG2-CZ 4.47Å; V22-L127 CarbonylContact C-O 3.52Å; V22-L127 VanDerWaalsContact CA-O 3.29Å; V22-L127 WeakPolarHBondContact CA-O 3.32Å; V22-V128 HydrophobicContact CG1-CG2 4.17Å; V22-V128 HydrophobicContact CG2-CB 4.47Å; V22-V128 HydrophobicContact CG2-CG1 4.06Å; V22-V128 HydrophobicContact CG2-CG2 3.97Å
23S98.1Very high95.7Very high3 Ų359.8 Ų59.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-136.8150.5174.660.40000111.9Q38 K112 S126 L127S23-Q38 CarbonylContact C-O 3.59Å; S23-Q38 VanDerWaalsContact CA-O 3.23Å; S23-Q38 WeakPolarHBondContact CA-O 3.19Å; S23-K112 WeakPolarHBondContact CB-O 3.38Å; S23-K112 PolarHBondContact OG-O 3.25Å; S23-S126 CarbonylContact O-C 3.5Å; S23-S126 VanDerWaalsContact O-CA 3.3Å; S23-S126 WeakPolarHBondContact O-CA 3.1Å; S23-S126 WeakPolarHBondContact O-CB 3.19Å; S23-L127 PolarHBondContact N-O 2.9Å; S23-L127 PolarHBondContact O-N 3.19Å
24R97.2Very high95.6Very high141 Ų14160 Ų6053%0.53229%0.294SS..EExtended strand (participates in β ladder)trans-136.8129.5-178.4-176.6177.7-175.2169.14.6109.7H37 Q38R24-H37 VanDerWaalsContact O-CA 3.26Å; R24-H37 WeakPolarHBondContact O-CA 3.4Å; R24-Q38 PolarHBondContact N-O 2.89Å; R24-Q38 PolarHBondContact O-N 3.23Å
25Y97.1Very high95.6Very high66 Ų6658.7 Ų58.726%0.25928%0.283SS..EExtended strand (participates in β ladder)trans-66.5133.1171.2-178.3-129.6000110.3G27 T36 H37 M121Y25-G27 VanDerWaalsContact CE1-C 3.41Å; Y25-G27 WeakPolarHBondContact CE1-O 3.29Å; Y25-G27 VanDerWaalsContact CZ-C 3.48Å; Y25-G27 PolarHBondContact O-N 2.85Å; Y25-G27 PolarHBondContact OH-O 3.11Å; Y25-T36 WeakPolarHBondContact CD2-O 3.32Å; Y25-H37 AromaticContact CD2-CE1 3.58Å; Y25-H37 AromaticContact CD2-NE2 3.63Å; Y25-M121 VanDerWaalsContact CD1-O 3.22Å; Y25-M121 WeakPolarHBondContact CD1-O 3.5Å
26L95.6Very high95.6Very high67 Ų6758.8 Ų58.835%0.35129%0.285SS..  trans-77.42.6-178.8-62.7175.6000112.9K28 R30 T36 Q38L26-K28 PolarHBondContact O-N 3.27Å; L26-K28 VanDerWaalsContact O-N 3.12Å; L26-R30 HydrophobicContact CD1-CG 3.98Å; L26-T36 WeakPolarHBondContact CB-O 3.38Å; L26-T36 WeakPolarHBondContact CG-O 3.22Å; L26-T36 PolarHBondContact N-O 2.87Å; L26-Q38 HydrophobicContact CD2-CB 4.09Å
27G92.5Very high95.6Very high49 Ų4957.7 Ų57.751%0.50528%0.277SS..SBendtrans80.3-24.3-176.500000113.9Y25Y25-G27 VanDerWaalsContact CE1-C 3.41Å; Y25-G27 WeakPolarHBondContact CE1-O 3.29Å; Y25-G27 VanDerWaalsContact CZ-C 3.48Å; Y25-G27 PolarHBondContact O-N 2.85Å; Y25-G27 PolarHBondContact OH-O 3.11Å
28K92.6Very high95.6Very high142 Ų14262 Ų6262%0.61730%0.297SS*.SBendtrans-150.9160.6172.763.4178.3-178.5172.50111.5L26 R30L26-K28 PolarHBondContact O-N 3.27Å; L26-K28 VanDerWaalsContact O-N 3.12Å; K28-R30 PolarHBondContact O-N 3.43Å
29K94.5Very high95.7Very high139 Ų13962.1 Ų62.160%0.60430%0.297SS*.  trans-68.8126.1165.6-175.3176.2177.7-178.30108.7G34 T36K29-G34 WeakPolarHBondContact CE-O 3.28Å; K29-G34 WeakPolarHBondContact CG-O 3.47Å; K29-T36 HydrophobicContact CB-CG2 3.9Å; K29-T36 HydrophobicContact CG-CG2 3.96Å
30R91.5Very high95.7Very high64 Ų6462 Ų6224%0.24230%0.3CS..  trans-67.2139.7173.4-65.7-164.1-49-169.1-13.2110.5L26 K28 E32 D33 G34 R35 T84L26-R30 HydrophobicContact CD1-CG 3.98Å; K28-R30 PolarHBondContact O-N 3.43Å; R30-E32 WeakPolarHBondContact CD-OE1 3.22Å; R30-E32 IonicContact CZ-OE1 3.44Å; R30-E32 IonicContact NE-OE1 2.9Å; R30-E32 PolarHBondContact NE-OE1 3.42Å; R30-D33 IonicContact CZ-OD1 2.67Å; R30-D33 IonicContact CZ-OD2 3.7Å; R30-D33 IonicContact NE-OD1 3.98Å; R30-D33 PolarHBondContact NE-OD1 2.94Å; R30-D33 IonicContact NE-OD2 3.48Å; R30-D33 VanDerWaalsContact NH2-CG 3.29Å; R30-D33 IonicContact NH2-OD1 3.24Å; R30-D33 PolarHBondContact NH2-OD1 3.27Å; R30-D33 IonicContact NH2-OD2 3.85Å; R30-D33 PolarHBondContact NH2-OD2 3.34Å; R30-G34 WeakPolarHBondContact O-CA 3.37Å; R30-G34 PolarHBondContact O-N 3.4Å; R30-R35 PolarHBondContact N-O 3.02Å; R30-T84 PolarHBondContact NH2-OG1 3.26Å
31E92.5Very high95.7Very high182 Ų18262 Ų6285%0.8530%0.3SS*.THydrogen-bonded Turntrans-77.4-35.9-174.7-68.6178.5-173.500111.4D33E31-D33 PolarHBondContact O-N 3.03Å
32E91.4Very high95.7Very high140 Ų14062 Ų6265%0.65430%0.3SS*.THydrogen-bonded Turntrans-66-37.4-174.260.3-86.4-160.600113.9R30R30-E32 WeakPolarHBondContact CD-OE1 3.22Å; R30-E32 IonicContact CZ-OE1 3.44Å; R30-E32 IonicContact NE-OE1 2.9Å; R30-E32 PolarHBondContact NE-OE1 3.42Å
33D91.5Very high95.7Very high66 Ų6660.3 Ų60.335%0.35329%0.289SS..THydrogen-bonded Turntrans-141.63.9-172.969.9-3.9000114.3R30 E31 R35R30-D33 IonicContact CZ-OD1 2.67Å; R30-D33 IonicContact CZ-OD2 3.7Å; R30-D33 IonicContact NE-OD1 3.98Å; R30-D33 PolarHBondContact NE-OD1 2.94Å; R30-D33 IonicContact NE-OD2 3.48Å; R30-D33 VanDerWaalsContact NH2-CG 3.29Å; R30-D33 IonicContact NH2-OD1 3.24Å; R30-D33 PolarHBondContact NH2-OD1 3.27Å; R30-D33 IonicContact NH2-OD2 3.85Å; R30-D33 PolarHBondContact NH2-OD2 3.34Å; E31-D33 PolarHBondContact O-N 3.03Å; D33-R35 HydrophobicContact CB-CG 4.32Å; D33-R35 PolarHBondContact O-N 2.98Å; D33-R35 WeakPolarHBondContact OD1-CB 3.48Å; D33-R35 WeakPolarHBondContact OD1-CG 3.15Å; D33-R35 PolarHBondContact OD1-N 3.42Å; D33-R35 VanDerWaalsContact OD1-N 3.1Å; D33-R35 WeakPolarHBondContact OD2-CG 3.34Å
34G94Very high95.6Very high14 Ų1461.6 Ų61.614%0.14429%0.294CS..  trans69.210.7177.100000115.3K29 R30K29-G34 WeakPolarHBondContact CE-O 3.28Å; K29-G34 WeakPolarHBondContact CG-O 3.47Å; R30-G34 WeakPolarHBondContact O-CA 3.37Å; R30-G34 PolarHBondContact O-N 3.4Å
35R95.4Very high95.5Very high38 Ų3855.6 Ų55.614%0.14327%0.273CS..  trans-72.8144179.7-56.8-70.7171.495.44.3110.7R30 D33 T84R30-R35 PolarHBondContact N-O 3.02Å; D33-R35 HydrophobicContact CB-CG 4.32Å; D33-R35 PolarHBondContact O-N 2.98Å; D33-R35 WeakPolarHBondContact OD1-CB 3.48Å; D33-R35 WeakPolarHBondContact OD1-CG 3.15Å; D33-R35 PolarHBondContact OD1-N 3.42Å; D33-R35 VanDerWaalsContact OD1-N 3.1Å; D33-R35 WeakPolarHBondContact OD2-CG 3.34Å; R35-T84 PolarHBondContact NH1-O 3.46Å
36T96.9Very high95.4Very high24 Ų2455.9 Ų55.915%0.14727%0.274CS..  trans-117.7-23.7-175.2530000112.5Y25 L26 K29 G85 W86Y25-T36 WeakPolarHBondContact CD2-O 3.32Å; L26-T36 WeakPolarHBondContact CB-O 3.38Å; L26-T36 WeakPolarHBondContact CG-O 3.22Å; L26-T36 PolarHBondContact N-O 2.87Å; K29-T36 HydrophobicContact CB-CG2 3.9Å; K29-T36 HydrophobicContact CG-CG2 3.96Å; T36-G85 PolarHBondContact N-O 3.48Å; T36-G85 PolarHBondContact OG1-O 3.25Å; T36-W86 WeakPolarHBondContact OG1-CA 3.32Å
37H98Very high95.3Very high11 Ų1156.8 Ų56.85%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-129.6150.2-176.3-63.370.3000110.8R24 Y25 T84 G85 L113 F114R24-H37 VanDerWaalsContact O-CA 3.26Å; R24-H37 WeakPolarHBondContact O-CA 3.4Å; Y25-H37 AromaticContact CD2-CE1 3.58Å; Y25-H37 AromaticContact CD2-NE2 3.63Å; H37-T84 CarbonylContact O-C 3.44Å; H37-T84 WeakPolarHBondContact O-CA 3.18Å; H37-G85 PolarHBondContact N-O 2.76Å; H37-G85 PolarHBondContact O-N 2.76Å; H37-L113 HydrophobicContact CB-CD1 4.14Å; H37-L113 HydrophobicContact CB-CD2 3.95Å; H37-L113 HydrophobicContact CB-CG 4.44Å; H37-L113 PolarHBondContact NE2-O 2.93Å; H37-F114 AromaticContact CE1-CD1 3.95Å; H37-F114 AromaticContact CE1-CE1 3.48Å; H37-F114 VanDerWaalsContact CE1-CE1 3.48Å; H37-F114 WeakPolarHBondContact CE1-CE1 3.41Å
38Q98.1Very high95.2Very high92 Ų9256.7 Ų56.743%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-96.4142155.5-178.2176.984.400108.1S23 R24 L26 T82 T84S23-Q38 CarbonylContact C-O 3.59Å; S23-Q38 VanDerWaalsContact CA-O 3.23Å; S23-Q38 WeakPolarHBondContact CA-O 3.19Å; R24-Q38 PolarHBondContact N-O 2.89Å; R24-Q38 PolarHBondContact O-N 3.23Å; L26-Q38 HydrophobicContact CD2-CB 4.09Å; Q38-T82 HydrophobicContact CG-CG2 3.84Å; Q38-T84 HydrophobicContact CB-CG2 4.49Å
39W98.3Very high95.1Very high1 Ų151.6 Ų51.60%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-137.4148.2175.757-96.1000110.5V22 A41 L63 Y67 L81 T82 E83 T84 F89 I91 I111 L113V22-W39 CarbonylContact O-C 3.6Å; V22-W39 VanDerWaalsContact O-CA 3.22Å; V22-W39 WeakPolarHBondContact O-CA 3.41Å; W39-A41 HydrophobicContact CE3-CB 4.21Å; W39-A41 HydrophobicContact CZ3-CB 3.9Å; W39-L63 HydrophobicContact CH2-CD2 3.67Å; W39-L63 HydrophobicContact CH2-CG 4.07Å; W39-L63 HydrophobicContact CZ2-CD2 3.91Å; W39-Y67 HydrophobicContact CZ2-CE1 4.25Å; W39-Y67 PolarHBondContact NE1-OH 3.15Å; W39-L81 HydrophobicContact CH2-CD2 4.32Å; W39-L81 HydrophobicContact CZ3-CD2 4.48Å; W39-T82 CarbonylContact O-C 3.48Å; W39-T82 WeakPolarHBondContact O-CA 3.23Å; W39-E83 HydrophobicContact CD2-CB 4.34Å; W39-E83 HydrophobicContact CH2-CB 3.71Å; W39-E83 HydrophobicContact CH2-CG 4.3Å; W39-E83 HydrophobicContact CZ2-CB 3.47Å; W39-E83 VanDerWaalsContact CZ2-CB 3.47Å; W39-E83 HydrophobicContact CZ2-CG 3.74Å; W39-E83 HydrophobicContact CZ3-CB 4.22Å; W39-E83 PolarHBondContact N-O 2.82Å; W39-E83 PolarHBondContact O-N 2.9Å; W39-T84 PolarHBondContact NE1-O 2.88Å; W39-F89 AromaticContact CH2-CZ 3.98Å; W39-F89 HydrophobicContact CH2-CZ 3.98Å; W39-F89 AromaticContact CZ2-CE1 3.92Å; W39-F89 HydrophobicContact CZ2-CE1 3.92Å; W39-F89 AromaticContact CZ2-CZ 3.62Å; W39-F89 HydrophobicContact CZ2-CZ 3.62Å; W39-I91 HydrophobicContact CH2-CD1 4.24Å; W39-I91 HydrophobicContact CZ3-CD1 4.16Å; W39-I111 HydrophobicContact CB-CG2 4.35Å; W39-I111 HydrophobicContact CD2-CG2 4.25Å; W39-I111 HydrophobicContact CE3-CD1 4.12Å; W39-I111 HydrophobicContact CG-CG2 4.1Å; W39-I111 HydrophobicContact CZ3-CD1 4.32Å; W39-L113 HydrophobicContact CB-CD2 3.85Å; W39-L113 HydrophobicContact CG-CD2 4.13Å
40T98.5Very high95Very high25 Ų2546.4 Ų46.415%0.15323%0.229CC..EExtended strand (participates in β ladder)trans-125.4114.2174.4-58.90000108N21 V22 E80 L81 T82N21-T40 CarbonylContact C-O 3.55Å; N21-T40 WeakPolarHBondContact CA-O 3.36Å; N21-T40 WeakPolarHBondContact CB-O 3.49Å; V22-T40 PolarHBondContact N-O 3.02Å; V22-T40 PolarHBondContact O-N 2.61Å; T40-E80 HydrophobicContact CG2-CB 4.06Å; T40-E80 HydrophobicContact CG2-CG 4.42Å; T40-L81 CarbonylContact C-O 3.53Å; T40-L81 WeakPolarHBondContact CA-O 3.2Å; T40-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T40-T82 PolarHBondContact OG1-OG1 2.81Å
41A98.6Very high95.1Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-88.6143.3170.800000109.5G20 W39 F61 E80 L81 I91 M93 I111G20-A41 CarbonylContact O-C 3.59Å; G20-A41 WeakPolarHBondContact O-CA 3.48Å; W39-A41 HydrophobicContact CE3-CB 4.21Å; W39-A41 HydrophobicContact CZ3-CB 3.9Å; A41-F61 HydrophobicContact CB-CE1 4.4Å; A41-E80 CarbonylContact O-C 3.54Å; A41-E80 WeakPolarHBondContact O-CA 3.36Å; A41-E80 WeakPolarHBondContact O-CB 3.29Å; A41-L81 PolarHBondContact N-O 3.43Å; A41-L81 PolarHBondContact O-N 3.09Å; A41-I91 HydrophobicContact CB-CD1 3.8Å; A41-M93 HydrophobicContact CB-CE 4.12Å; A41-I111 HydrophobicContact CB-CD1 3.88Å
42F98.3Very high95.2Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-147.9155.9-175.955-97.4000113.5V18 Y19 G20 V22 R44 F79 E80 E130V18-F42 HydrophobicContact CG1-CE2 4.4Å; Y19-F42 VanDerWaalsContact CA-O 3.22Å; Y19-F42 WeakPolarHBondContact CA-O 3.43Å; Y19-F42 WeakPolarHBondContact CB-O 3.49Å; G20-F42 PolarHBondContact N-O 2.69Å; G20-F42 VanDerWaalsContact N-O 3.08Å; G20-F42 PolarHBondContact O-N 3.21Å; V22-F42 HydrophobicContact CG2-CE1 3.78Å; V22-F42 HydrophobicContact CG2-CZ 4.47Å; F42-R44 HydrophobicContact CB-CG 4.35Å; F42-R44 HydrophobicContact CD2-CG 3.86Å; F42-R44 HydrophobicContact CG-CG 4.41Å; F42-F79 CarbonylContact C-O 3.58Å; F42-F79 WeakPolarHBondContact CA-O 3.37Å; F42-E80 HydrophobicContact CB-CB 3.85Å; F42-E130 HydrophobicContact CE2-CG 4.06Å; F42-E130 HydrophobicContact CZ-CG 3.68Å
43L98.2Very high95.4Very high2 Ų232 Ų321%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-123.8120.3163.4176.769.1000108.3I17 I56 V59 F79 M93 V95 I107 M135I17-L43 HydrophobicContact CB-CD1 4.16Å; I17-L43 HydrophobicContact CD1-CD1 3.65Å; I17-L43 HydrophobicContact CG1-CD1 4.47Å; L43-I56 HydrophobicContact CD2-CD1 3.95Å; L43-V59 HydrophobicContact CD2-CG2 3.85Å; L43-F79 HydrophobicContact CB-CB 4.26Å; L43-F79 PolarHBondContact N-O 3.14Å; L43-M93 HydrophobicContact CB-SD 4.47Å; L43-V95 HydrophobicContact CD2-CG1 4.28Å; L43-V95 HydrophobicContact CD2-CG2 3.56Å; L43-I107 HydrophobicContact CD1-CD1 4.18Å; L43-M135 HydrophobicContact CD1-CE 4.37Å; L43-M135 HydrophobicContact CD2-CE 4.1Å
44R96.6Very high95.6Very high30 Ų3030.1 Ų30.111%0.11316%0.162CC..EExtended strand (participates in β ladder)trans-130.4155.1-174-68.4177.2-176.7151.22.6110.5I17 V18 F42 E80I17-R44 WeakPolarHBondContact CA-O 3.18Å; V18-R44 PolarHBondContact N-O 3.39Å; V18-R44 PolarHBondContact O-N 3.1Å; F42-R44 HydrophobicContact CB-CG 4.35Å; F42-R44 HydrophobicContact CD2-CG 3.86Å; F42-R44 HydrophobicContact CG-CG 4.41Å; R44-E80 IonicContact NH2-OE2 3.02Å; R44-E80 PolarHBondContact NH2-OE2 2.73Å
45P95.5Very high95.7Very high15 Ų1529.5 Ų29.510%0.09716%0.156CC..EExtended strand (participates in β ladder)trans-69.6147.4169.832.2-35.9000109.5N47 E50 L52 H163P45-N47 VanDerWaalsContact CB-O 3.27Å; P45-N47 WeakPolarHBondContact CB-O 3.5Å; P45-N47 VanDerWaalsContact CG-O 3.28Å; P45-N47 WeakPolarHBondContact CG-O 3.48Å; P45-E50 HydrophobicContact CB-CB 3.94Å; P45-E50 HydrophobicContact CG-CB 4.46Å; P45-E50 WeakPolarHBondContact CG-O 3.49Å; P45-L52 HydrophobicContact CB-CD1 4.4Å; P45-L52 HydrophobicContact CB-CD2 3.84Å; P45-L52 HydrophobicContact CB-CG 3.95Å; P45-L52 HydrophobicContact CG-CG 4.25Å; P45-H163 PolarHBondContact O-CE1 3.35Å; P45-H163 PolarHBondContact O-NE2 3.04Å; P45-H163 VanDerWaalsContact O-NE2 3.07Å
46Y95.6Very high95.9Very high72 Ų7227.8 Ų27.828%0.28215%0.149SC..SBendtrans-63.6-44.9170.5173.7-111.4000111P16 V18 T48 Y132 H163 F167P16-Y46 HydrophobicContact CB-CD1 4.14Å; P16-Y46 HydrophobicContact CB-CG 4.14Å; P16-Y46 PolarHBondContact O-N 2.9Å; P16-Y46 VanDerWaalsContact O-N 3.13Å; V18-Y46 HydrophobicContact CG2-CD2 4.05Å; Y46-T48 PolarHBondContact O-N 3.47Å; Y46-Y132 HydrophobicContact CD1-CE2 4.18Å; Y46-Y132 AromaticContact CD2-CD2 3.65Å; Y46-Y132 HydrophobicContact CD2-CD2 3.65Å; Y46-Y132 AromaticContact CD2-CE2 3.71Å; Y46-Y132 HydrophobicContact CD2-CE2 3.71Å; Y46-Y132 HydrophobicContact CE2-CD2 4.06Å; Y46-Y132 HydrophobicContact CE2-CE2 4.11Å; Y46-Y132 HydrophobicContact CG-CD2 4.12Å; Y46-Y132 AromaticContact CG-CE2 3.75Å; Y46-Y132 HydrophobicContact CG-CE2 3.75Å; Y46-H163 PolarHBondContact O-NE2 2.87Å; Y46-F167 HydrophobicContact CD2-CD2 4.16Å; Y46-F167 HydrophobicContact CE2-CB 3.87Å; Y46-F167 AromaticContact CE2-CD2 3.86Å; Y46-F167 HydrophobicContact CE2-CD2 3.86Å; Y46-F167 HydrophobicContact CE2-CG 4.16Å
47N92.8Very high95.9Very high86 Ų8632.3 Ų32.346%0.4616%0.163SC..SBendtrans-81.5110.2168.8-177.54.6000109.6P45 S49 E50P45-N47 VanDerWaalsContact CB-O 3.27Å; P45-N47 WeakPolarHBondContact CB-O 3.5Å; P45-N47 VanDerWaalsContact CG-O 3.28Å; P45-N47 WeakPolarHBondContact CG-O 3.48Å; N47-S49 PolarHBondContact O-N 2.88Å; N47-S49 PolarHBondContact OD1-N 3.11Å; N47-S49 PolarHBondContact OD1-OG 3.06Å; N47-S49 VanDerWaalsContact OD1-OG 3.13Å; N47-E50 HydrophobicContact CB-CB 4.41Å; N47-E50 WeakPolarHBondContact O-CB 3.45Å; N47-E50 PolarHBondContact O-N 2.9Å
48T91Very high96Very high47 Ų4734.5 Ų34.529%0.28817%0.173SC..THydrogen-bonded Turntrans-64.7-14.6-169.962.60000114.6Y46 T160Y46-T48 PolarHBondContact O-N 3.47Å; T48-T160 HydrophobicContact CG2-CG2 4.34Å; T48-T160 VanDerWaalsContact OG1-CG2 3.29Å; T48-T160 WeakPolarHBondContact OG1-CG2 3.3Å
49S89.8Confident96Very high36 Ų3630.1 Ų30.125%0.25215%0.153SC..THydrogen-bonded Turntrans-87.2-12.5174.562.90000114.4N47 Q153 I154N47-S49 PolarHBondContact O-N 2.88Å; N47-S49 PolarHBondContact OD1-N 3.11Å; N47-S49 PolarHBondContact OD1-OG 3.06Å; N47-S49 VanDerWaalsContact OD1-OG 3.13Å; S49-Q153 CarbonylContact O-C 3.51Å; S49-Q153 WeakPolarHBondContact O-CA 3.26Å; S49-Q153 WeakPolarHBondContact O-CB 3.14Å; S49-I154 PolarHBondContact O-N 2.87Å
50E92.2Very high96Very high30 Ų3032.2 Ų32.214%0.1416%0.162CC..BIsolated β-bridgetrans-73.6133.9-176.2-176.6170.2-17600111.8K15 P45 N47 L52K15-E50 IonicContact NZ-OE1 2.71Å; K15-E50 PolarHBondContact NZ-OE1 3.38Å; P45-E50 HydrophobicContact CB-CB 3.94Å; P45-E50 HydrophobicContact CG-CB 4.46Å; P45-E50 WeakPolarHBondContact CG-O 3.49Å; N47-E50 HydrophobicContact CB-CB 4.41Å; N47-E50 WeakPolarHBondContact O-CB 3.45Å; N47-E50 PolarHBondContact O-N 2.9Å; E50-L52 PolarHBondContact O-N 2.96Å
51D93.5Very high96Very high26 Ų2631 Ų3114%0.13916%0.155CC..  trans-89.7100.7175.6179.711.3000111.4S53 T54 S152 I154D51-S53 PolarHBondContact O-N 3.18Å; D51-S53 VanDerWaalsContact OD1-CB 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 2.83Å; D51-S53 PolarHBondContact OD1-OG 2.81Å; D51-S53 PolarHBondContact OD2-OG 3.49Å; D51-T54 HydrophobicContact CB-CG2 4.37Å; D51-T54 WeakPolarHBondContact O-CB 3.44Å; D51-T54 WeakPolarHBondContact O-CG2 3.22Å; D51-T54 PolarHBondContact O-N 3.02Å; D51-T54 PolarHBondContact O-OG1 2.92Å; D51-S152 PolarHBondContact N-O 3.3Å; D51-I154 HydrophobicContact CB-CG1 4.1Å
52L95.5Very high96Very high7 Ų735.9 Ų35.94%0.03718%0.176CC..G310 helixtrans-60.7-22.1176.4-69.1-174.1000113.7I17 P45 E50 T54 F55 I56 F79I17-L52 HydrophobicContact CG2-CD2 4.44Å; P45-L52 HydrophobicContact CB-CD1 4.4Å; P45-L52 HydrophobicContact CB-CD2 3.84Å; P45-L52 HydrophobicContact CB-CG 3.95Å; P45-L52 HydrophobicContact CG-CG 4.25Å; E50-L52 PolarHBondContact O-N 2.96Å; L52-T54 PolarHBondContact O-N 3.44Å; L52-T54 VanDerWaalsContact O-N 3.15Å; L52-F55 HydrophobicContact CD2-CE1 4.13Å; L52-F55 HydrophobicContact CD2-CE2 3.99Å; L52-F55 HydrophobicContact CD2-CZ 3.37Å; L52-F55 PolarHBondContact O-N 2.92Å; L52-I56 HydrophobicContact CB-CD1 4.06Å; L52-I56 HydrophobicContact CB-CG1 4.5Å; L52-I56 HydrophobicContact CD1-CD1 4.07Å; L52-I56 HydrophobicContact CD2-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.41Å; L52-I56 WeakPolarHBondContact O-CB 3.36Å; L52-I56 PolarHBondContact O-N 2.74Å; L52-F79 HydrophobicContact CB-CD2 4.31Å; L52-F79 HydrophobicContact CB-CE2 3.88Å; L52-F79 HydrophobicContact CD1-CD2 4.24Å
53S95.3Very high96Very high49 Ų4936.1 Ų36.134%0.34318%0.177SC..G310 helixtrans-67.5-13.7-178.876.40000113.4D51 F55D51-S53 PolarHBondContact O-N 3.18Å; D51-S53 VanDerWaalsContact OD1-CB 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 2.83Å; D51-S53 PolarHBondContact OD1-OG 2.81Å; D51-S53 PolarHBondContact OD2-OG 3.49Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.87Å
54T95.9Very high96Very high28 Ų2840.9 Ų40.917%0.17220%0.199CC..G310 helixtrans-60.6-37.8172.853.40000112.7D51 L52 A147 S152D51-T54 HydrophobicContact CB-CG2 4.37Å; D51-T54 WeakPolarHBondContact O-CB 3.44Å; D51-T54 WeakPolarHBondContact O-CG2 3.22Å; D51-T54 PolarHBondContact O-N 3.02Å; D51-T54 PolarHBondContact O-OG1 2.92Å; L52-T54 PolarHBondContact O-N 3.44Å; L52-T54 VanDerWaalsContact O-N 3.15Å; T54-A147 WeakPolarHBondContact O-CB 3.42Å; T54-S152 VanDerWaalsContact CG2-CB 3.4Å
55F96.7Very high95.9Very high1 Ų147 Ų470%0.00423%0.229CC..THydrogen-bonded Turntrans-125-15-178.157.7-95000114.3K15 L52 S53 F97 T98 M135 F144 L148K15-F55 HydrophobicContact CB-CE2 4.35Å; K15-F55 HydrophobicContact CB-CZ 4.14Å; K15-F55 HydrophobicContact CD-CE1 4.04Å; K15-F55 HydrophobicContact CD-CZ 4.06Å; K15-F55 HydrophobicContact CG-CE1 4.26Å; K15-F55 HydrophobicContact CG-CE2 4.25Å; K15-F55 HydrophobicContact CG-CZ 3.94Å; L52-F55 HydrophobicContact CD2-CE1 4.13Å; L52-F55 HydrophobicContact CD2-CE2 3.99Å; L52-F55 HydrophobicContact CD2-CZ 3.37Å; L52-F55 PolarHBondContact O-N 2.92Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.87Å; F55-F97 CarbonylContact O-C 3.58Å; F55-F97 VanDerWaalsContact O-CA 3.26Å; F55-F97 WeakPolarHBondContact O-CA 3.49Å; F55-F97 WeakPolarHBondContact O-CB 3.27Å; F55-F97 WeakPolarHBondContact O-CD1 3.41Å; F55-T98 PolarHBondContact O-N 2.94Å; F55-T98 PolarHBondContact O-OG1 2.83Å; F55-M135 HydrophobicContact CE2-SD 4.14Å; F55-F144 HydrophobicContact CB-CE2 3.85Å; F55-F144 HydrophobicContact CB-CZ 4.31Å; F55-L148 HydrophobicContact CB-CD2 3.76Å; F55-L148 HydrophobicContact CB-CG 4.38Å; F55-L148 HydrophobicContact CD1-CD2 4.2Å; F55-L148 HydrophobicContact CD2-CD2 4.06Å; F55-L148 HydrophobicContact CG-CD2 3.76Å
56I98.1Very high95.8Very high2 Ų249.7 Ų49.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-100.6119.9173.2-57.1-177.6000109.8L43 L52 V59 F79 V95 F97 M135L43-I56 HydrophobicContact CD2-CD1 3.95Å; L52-I56 HydrophobicContact CB-CD1 4.06Å; L52-I56 HydrophobicContact CB-CG1 4.5Å; L52-I56 HydrophobicContact CD1-CD1 4.07Å; L52-I56 HydrophobicContact CD2-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.41Å; L52-I56 WeakPolarHBondContact O-CB 3.36Å; L52-I56 PolarHBondContact O-N 2.74Å; I56-V59 HydrophobicContact CG2-CG2 4.05Å; I56-F79 HydrophobicContact CB-CE2 4Å; I56-F79 HydrophobicContact CB-CZ 4.03Å; I56-F79 HydrophobicContact CD1-CE2 4.49Å; I56-F79 HydrophobicContact CG2-CE1 4.14Å; I56-F79 HydrophobicContact CG2-CE2 3.85Å; I56-F79 HydrophobicContact CG2-CZ 3.63Å; I56-V95 HydrophobicContact CB-CG1 4.39Å; I56-V95 HydrophobicContact CD1-CG1 3.74Å; I56-V95 HydrophobicContact CG1-CG1 3.89Å; I56-V95 HydrophobicContact CG2-CG1 3.72Å; I56-F97 HydrophobicContact CG1-CD1 4.39Å; I56-F97 HydrophobicContact CG1-CE1 4.42Å; I56-M135 HydrophobicContact CD1-CE 3.83Å
57R98.3Very high95.9Very high118 Ų11847 Ų4745%0.44524%0.238SC..EExtended strand (participates in β ladder)trans-80.6-44.8175.7179.7173.763.3-179.4-3112.3I96 F97 T98R57-I96 WeakPolarHBondContact CA-O 3.4Å; R57-I96 WeakPolarHBondContact CB-O 3.49Å; R57-I96 PolarHBondContact N-O 3.09Å; R57-F97 WeakPolarHBondContact CB-O 3.45Å; R57-T98 HydrophobicContact CB-CG2 4.24Å
58K98.6Very high95.9Very high58 Ų5847.8 Ų47.825%0.25225%0.25SC..EExtended strand (participates in β ladder)trans-162.1156.4-179.663.6-173.8-176.3-179.40111.4I73 V74 N75 I96K58-I73 HydrophobicContact CB-CG2 4.25Å; K58-I73 HydrophobicContact CD-CG2 3.86Å; K58-I73 HydrophobicContact CG-CG2 4.43Å; K58-V74 CarbonylContact C-O 3.51Å; K58-V74 VanDerWaalsContact CA-O 3.28Å; K58-V74 WeakPolarHBondContact CA-O 3.12Å; K58-V74 WeakPolarHBondContact CB-O 3.35Å; K58-N75 HydrophobicContact CB-CB 4.48Å; K58-N75 WeakPolarHBondContact CD-OD1 3.47Å; K58-I96 HydrophobicContact CD-CD1 4.37Å; K58-I96 HydrophobicContact CG-CB 3.89Å; K58-I96 HydrophobicContact CG-CD1 3.75Å; K58-I96 HydrophobicContact CG-CG1 4.4Å; K58-I96 HydrophobicContact CG-CG2 4.4Å; K58-I96 PolarHBondContact N-O 3.44Å; K58-I96 VanDerWaalsContact N-O 3.15Å; K58-I96 PolarHBondContact O-N 3.41Å
59V98.8Very high96.2Very high0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-117.1127.3170.7-179.10000108.7L43 I56 F61 V74 F79 M93 K94 V95L43-V59 HydrophobicContact CD2-CG2 3.85Å; I56-V59 HydrophobicContact CG2-CG2 4.05Å; V59-F61 HydrophobicContact CB-CE2 4.05Å; V59-F61 HydrophobicContact CB-CZ 4.42Å; V59-F61 HydrophobicContact CG1-CD2 4.09Å; V59-F61 HydrophobicContact CG1-CE1 4.21Å; V59-F61 HydrophobicContact CG1-CE2 3.62Å; V59-F61 HydrophobicContact CG1-CZ 3.69Å; V59-V74 PolarHBondContact N-O 3.08Å; V59-V74 PolarHBondContact O-N 3.17Å; V59-F79 HydrophobicContact CB-CB 4.36Å; V59-F79 HydrophobicContact CB-CD1 4.07Å; V59-F79 HydrophobicContact CB-CG 4.44Å; V59-F79 HydrophobicContact CG2-CB 3.86Å; V59-F79 HydrophobicContact CG2-CD1 3.6Å; V59-F79 HydrophobicContact CG2-CD2 4.37Å; V59-F79 HydrophobicContact CG2-CE1 4.21Å; V59-F79 HydrophobicContact CG2-CG 3.69Å; V59-M93 HydrophobicContact CG1-CB 4.17Å; V59-K94 WeakPolarHBondContact CA-O 3.34Å; V59-V95 HydrophobicContact CG2-CG1 4.46Å; V59-V95 HydrophobicContact CG2-CG2 4.45Å
60Q98.8Very high96.5Very high45 Ų4551 Ų5121%0.2127%0.265CS..EExtended strand (participates in β ladder)trans-102.2114.5172.7175.5-172.8-27.900108.9I71 R72 I73 K94 I96Q60-I71 HydrophobicContact CG-CG2 3.62Å; Q60-R72 CarbonylContact C-O 3.54Å; Q60-R72 WeakPolarHBondContact CA-O 3.44Å; Q60-I73 HydrophobicContact CB-CG1 4.27Å; Q60-I73 HydrophobicContact CG-CG1 4.15Å; Q60-K94 HydrophobicContact CB-CB 4.2Å; Q60-K94 PolarHBondContact N-O 2.81Å; Q60-K94 PolarHBondContact O-N 3.46Å; Q60-I96 HydrophobicContact CB-CD1 4.23Å
61F98.7Very high96.8Very high0 Ų053.3 Ų53.30%028%0.277CS..EExtended strand (participates in β ladder)trans-88126.1172.2-64-88.1000109.6A41 V59 L63 I71 R72 V74 L81 I91 T92 M93A41-F61 HydrophobicContact CB-CE1 4.4Å; V59-F61 HydrophobicContact CB-CE2 4.05Å; V59-F61 HydrophobicContact CB-CZ 4.42Å; V59-F61 HydrophobicContact CG1-CD2 4.09Å; V59-F61 HydrophobicContact CG1-CE1 4.21Å; V59-F61 HydrophobicContact CG1-CE2 3.62Å; V59-F61 HydrophobicContact CG1-CZ 3.69Å; F61-L63 HydrophobicContact CB-CD1 4.18Å; F61-I71 CarbonylContact O-C 3.59Å; F61-I71 WeakPolarHBondContact O-CA 3.44Å; F61-R72 PolarHBondContact N-O 3.28Å; F61-R72 PolarHBondContact O-N 3.04Å; F61-V74 HydrophobicContact CD2-CG2 3.96Å; F61-V74 HydrophobicContact CE2-CB 4.19Å; F61-V74 HydrophobicContact CE2-CG2 3.72Å; F61-L81 HydrophobicContact CB-CD2 3.8Å; F61-L81 HydrophobicContact CD1-CB 4.37Å; F61-L81 HydrophobicContact CD2-CB 4.1Å; F61-L81 HydrophobicContact CE2-CB 4.33Å; F61-L81 HydrophobicContact CG-CB 4.13Å; F61-L81 HydrophobicContact CG-CD2 4.14Å; F61-I91 HydrophobicContact CB-CD1 4.23Å; F61-I91 HydrophobicContact CD1-CD1 3.81Å; F61-I91 HydrophobicContact CD1-CG1 4.45Å; F61-I91 HydrophobicContact CG-CD1 4.46Å; F61-T92 CarbonylContact C-O 3.49Å; F61-T92 WeakPolarHBondContact CA-O 3.31Å; F61-M93 HydrophobicContact CD1-CG 3.81Å; F61-M93 HydrophobicContact CD1-SD 4.44Å; F61-M93 HydrophobicContact CE1-CB 4.48Å; F61-M93 HydrophobicContact CE1-CE 4.05Å; F61-M93 HydrophobicContact CE1-CG 3.72Å; F61-M93 HydrophobicContact CE1-SD 3.79Å
62K98.6Very high97.1Very high102 Ų10253.7 Ų53.744%0.44328%0.277SS..EExtended strand (participates in β ladder)trans-107.6113169.5-171.8-172.4175.5-172.40108.8P70 I71 I91 T92K62-P70 CarbonylContact C-O 3.56Å; K62-P70 WeakPolarHBondContact CA-O 3.49Å; K62-I71 HydrophobicContact CG-CG1 4.37Å; K62-I91 WeakPolarHBondContact O-CA 3.39Å; K62-I91 WeakPolarHBondContact O-CG1 3.34Å; K62-T92 PolarHBondContact N-O 2.95Å; K62-T92 PolarHBondContact O-N 2.85Å
63L98.4Very high97.2Very high5 Ų557.2 Ų57.23%0.02630%0.295CS..  trans-88172.1176.8-71.875.5000110.2W39 F61 Y67 P70 R72 L81 E83 F89 I91W39-L63 HydrophobicContact CH2-CD2 3.67Å; W39-L63 HydrophobicContact CH2-CG 4.07Å; W39-L63 HydrophobicContact CZ2-CD2 3.91Å; F61-L63 HydrophobicContact CB-CD1 4.18Å; L63-Y67 HydrophobicContact CB-CD2 4.04Å; L63-Y67 HydrophobicContact CB-CG 4.23Å; L63-Y67 HydrophobicContact CD2-CD1 3.84Å; L63-Y67 HydrophobicContact CD2-CD2 4.15Å; L63-Y67 HydrophobicContact CD2-CE1 4.23Å; L63-Y67 HydrophobicContact CD2-CG 3.79Å; L63-P70 PolarHBondContact N-O 3.43Å; L63-R72 HydrophobicContact CD1-CG 4.34Å; L63-L81 HydrophobicContact CD1-CD2 3.28Å; L63-L81 HydrophobicContact CD2-CD2 4.17Å; L63-L81 HydrophobicContact CG-CD2 4.13Å; L63-E83 HydrophobicContact CD2-CG 4.26Å; L63-F89 HydrophobicContact CB-CE2 4.3Å; L63-I91 HydrophobicContact CD1-CD1 4.41Å; L63-I91 HydrophobicContact CG-CD1 4.44Å
64H96.4Very high97.3Very high101 Ų10156.2 Ų56.247%0.46829%0.287SS..  trans-57.9149.3168.6-174.1-100.5000111.5S66 Y67 F89H64-S66 VanDerWaalsContact ND1-CB 3.32Å; H64-S66 WeakPolarHBondContact ND1-CB 3.34Å; H64-S66 PolarHBondContact ND1-N 2.89Å; H64-S66 PolarHBondContact ND1-OG 2.8Å; H64-S66 PolarHBondContact O-N 3.01Å; H64-S66 VanDerWaalsContact O-N 3.11Å; H64-Y67 HydrophobicContact CB-CD2 4.05Å; H64-Y67 HydrophobicContact CB-CE2 4.14Å; H64-Y67 WeakPolarHBondContact O-CD2 3.29Å; H64-Y67 PolarHBondContact O-N 2.83Å; H64-Y67 VanDerWaalsContact O-N 3.11Å; H64-F89 HydrophobicContact CB-CB 4.4Å; H64-F89 HydrophobicContact CB-CD2 3.72Å; H64-F89 HydrophobicContact CB-CE2 4.2Å; H64-F89 HydrophobicContact CB-CG 4.04Å
65E95.4Very high97.4Very high159 Ų15959.6 Ų59.674%0.74330%0.304SS*.THydrogen-bonded Turntrans-66.5-16.9-173.3-62.9179.7175.200113.7Y67E65-Y67 PolarHBondContact O-N 2.78Å
66S94.4Very high97.3Very high72 Ų7267.3 Ų67.350%0.50334%0.337SS..THydrogen-bonded Turntrans-68.4-13.1174.265.90000114.2H64H64-S66 VanDerWaalsContact ND1-CB 3.32Å; H64-S66 WeakPolarHBondContact ND1-CB 3.34Å; H64-S66 PolarHBondContact ND1-N 2.89Å; H64-S66 PolarHBondContact ND1-OG 2.8Å; H64-S66 PolarHBondContact O-N 3.01Å; H64-S66 VanDerWaalsContact O-N 3.11Å
67Y96.3Very high97.1Very high15 Ų1569.8 Ų69.86%0.05935%0.354CS..SBendtrans-85.9138.7177.4-71.1-95.2000110.5W39 L63 H64 E65 N69 P70 E83 T84 F89W39-Y67 HydrophobicContact CZ2-CE1 4.25Å; W39-Y67 PolarHBondContact NE1-OH 3.15Å; L63-Y67 HydrophobicContact CB-CD2 4.04Å; L63-Y67 HydrophobicContact CB-CG 4.23Å; L63-Y67 HydrophobicContact CD2-CD1 3.84Å; L63-Y67 HydrophobicContact CD2-CD2 4.15Å; L63-Y67 HydrophobicContact CD2-CE1 4.23Å; L63-Y67 HydrophobicContact CD2-CG 3.79Å; H64-Y67 HydrophobicContact CB-CD2 4.05Å; H64-Y67 HydrophobicContact CB-CE2 4.14Å; H64-Y67 WeakPolarHBondContact O-CD2 3.29Å; H64-Y67 PolarHBondContact O-N 2.83Å; H64-Y67 VanDerWaalsContact O-N 3.11Å; E65-Y67 PolarHBondContact O-N 2.78Å; Y67-N69 PolarHBondContact O-N 3.09Å; Y67-P70 WeakPolarHBondContact O-CD 3.4Å; Y67-E83 HydrophobicContact CD1-CG 3.77Å; Y67-E83 HydrophobicContact CE1-CG 3.41Å; Y67-E83 VanDerWaalsContact CE1-CG 3.41Å; Y67-T84 VanDerWaalsContact CE1-O 3.29Å; Y67-T84 WeakPolarHBondContact CE1-O 3.15Å; Y67-T84 PolarHBondContact OH-O 3Å; Y67-T84 VanDerWaalsContact OH-O 3.09Å; Y67-F89 AromaticContact CE2-CE1 3.98Å; Y67-F89 HydrophobicContact CE2-CE1 3.98Å; Y67-F89 HydrophobicContact CE2-CZ 4.01Å
68S94.1Very high96.9Very high102 Ų10268 Ų6871%0.71336%0.357SS*.SBendtrans-63.9136.1165.358.70000109.4R72S68-R72 PolarHBondContact O-NH2 3.36Å
69N95.7Very high96.8Very high110 Ų11065.4 Ų65.459%0.58835%0.346SS*.SBendtrans49.468.6-173.5-171.628.3000111.9Y67 I71 R72Y67-N69 PolarHBondContact O-N 3.09Å; N69-I71 PolarHBondContact O-N 2.8Å; N69-I71 VanDerWaalsContact O-N 3.15Å; N69-I71 PolarHBondContact OD1-O 2.98Å; N69-R72 WeakPolarHBondContact O-CG 3.37Å; N69-R72 PolarHBondContact O-NE 3.36Å; N69-R72 VanDerWaalsContact O-NE 3.09Å
70P97.4Very high96.8Very high42 Ų4268.1 Ų68.127%0.27336%0.359SS..  trans-69.2-12-173.729.2-35.5000112.5K62 L63 Y67K62-P70 CarbonylContact C-O 3.56Å; K62-P70 WeakPolarHBondContact CA-O 3.49Å; L63-P70 PolarHBondContact N-O 3.43Å; Y67-P70 WeakPolarHBondContact O-CD 3.4Å
71I98.4Very high96.7Very high77 Ų7767 Ų6740%0.39535%0.354SS..EExtended strand (participates in β ladder)trans-106.3115.4174.9-63.9173.6000108.8Q60 F61 K62 N69Q60-I71 HydrophobicContact CG-CG2 3.62Å; F61-I71 CarbonylContact O-C 3.59Å; F61-I71 WeakPolarHBondContact O-CA 3.44Å; K62-I71 HydrophobicContact CG-CG1 4.37Å; N69-I71 PolarHBondContact O-N 2.8Å; N69-I71 VanDerWaalsContact O-N 3.15Å; N69-I71 PolarHBondContact OD1-O 2.98Å
72R98.4Very high96.7Very high35 Ų3570.1 Ų70.113%0.13237%0.373CS..EExtended strand (participates in β ladder)trans-123.8133.7-178.4-59-174.5-172.7159.9-6.5110.1Q60 F61 L63 S68 N69 L81 E83Q60-R72 CarbonylContact C-O 3.54Å; Q60-R72 WeakPolarHBondContact CA-O 3.44Å; F61-R72 PolarHBondContact N-O 3.28Å; F61-R72 PolarHBondContact O-N 3.04Å; L63-R72 HydrophobicContact CD1-CG 4.34Å; S68-R72 PolarHBondContact O-NH2 3.36Å; N69-R72 WeakPolarHBondContact O-CG 3.37Å; N69-R72 PolarHBondContact O-NE 3.36Å; N69-R72 VanDerWaalsContact O-NE 3.09Å; R72-L81 HydrophobicContact CB-CD1 4.28Å; R72-L81 HydrophobicContact CB-CD2 4.35Å; R72-E83 IonicContact CZ-OE2 3.33Å; R72-E83 VanDerWaalsContact CZ-OE2 3.25Å; R72-E83 IonicContact NH1-OE2 2.62Å; R72-E83 PolarHBondContact NH1-OE2 3.36Å; R72-E83 IonicContact NH2-OE2 3.54Å; R72-E83 PolarHBondContact NH2-OE2 3.26Å
73I98.5Very high96.7Very high81 Ų8167.4 Ų67.442%0.41536%0.362SS..EExtended strand (participates in β ladder)trans-114.7124.1-173.8-59.7176.2000108.9K58 Q60 N75K58-I73 HydrophobicContact CB-CG2 4.25Å; K58-I73 HydrophobicContact CD-CG2 3.86Å; K58-I73 HydrophobicContact CG-CG2 4.43Å; Q60-I73 HydrophobicContact CB-CG1 4.27Å; Q60-I73 HydrophobicContact CG-CG1 4.15Å; I73-N75 WeakPolarHBondContact CG2-OD1 3.32Å
74V98.4Very high96.6Very high28 Ų2867.9 Ų67.917%0.1737%0.365CS..EExtended strand (participates in β ladder)trans-109.6111.5174.2-177.80000108K58 V59 F61 K76 F79K58-V74 CarbonylContact C-O 3.51Å; K58-V74 VanDerWaalsContact CA-O 3.28Å; K58-V74 WeakPolarHBondContact CA-O 3.12Å; K58-V74 WeakPolarHBondContact CB-O 3.35Å; V59-V74 PolarHBondContact N-O 3.08Å; V59-V74 PolarHBondContact O-N 3.17Å; F61-V74 HydrophobicContact CD2-CG2 3.96Å; F61-V74 HydrophobicContact CE2-CB 4.19Å; F61-V74 HydrophobicContact CE2-CG2 3.72Å; V74-K76 WeakPolarHBondContact CG1-O 3.43Å; V74-F79 HydrophobicContact CB-CD1 4.41Å; V74-F79 HydrophobicContact CG1-CD1 3.97Å
75N97.8Very high96.6Very high98 Ų9863.1 Ų63.152%0.52434%0.343SS..  trans-92.3-6.9-172.5-61.7-67.7000114K58 I73K58-N75 HydrophobicContact CB-CB 4.48Å; K58-N75 WeakPolarHBondContact CD-OD1 3.47Å; I73-N75 WeakPolarHBondContact CG2-OD1 3.32Å
76K94.3Very high96.6Very high163 Ų16363.6 Ų63.671%0.70934%0.338SS*.SBendtrans-147.8152.4-179-68.8-171.9179.4-178.40109.9V74V74-K76 WeakPolarHBondContact CG1-O 3.43Å
77P93.2Very high96.7Very high55 Ų5561 Ų6136%0.35732%0.323SS..SBendtrans-63.4155.3173.127.5-34.8000111.9F79P77-F79 HydrophobicContact CB-CD2 4.26Å; P77-F79 HydrophobicContact CB-CE2 4.16Å
78P93.9Very high96.8Very high79 Ų7963.1 Ų63.151%0.51333%0.333SS..SBendcis-67.4133.7-429.3-34.6000111.4E80P78-E80 HydrophobicContact CB-CG 3.97Å; P78-E80 HydrophobicContact CG-CG 4.03Å; P78-E80 PolarHBondContact O-N 3.35Å
79F97.1Very high97Very high4 Ų459.4 Ų59.42%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-80.274.3178.5-64.1-66.5000109.2F42 L43 L52 I56 V59 V74 P77F42-F79 CarbonylContact C-O 3.58Å; F42-F79 WeakPolarHBondContact CA-O 3.37Å; L43-F79 HydrophobicContact CB-CB 4.26Å; L43-F79 PolarHBondContact N-O 3.14Å; L52-F79 HydrophobicContact CB-CD2 4.31Å; L52-F79 HydrophobicContact CB-CE2 3.88Å; L52-F79 HydrophobicContact CD1-CD2 4.24Å; I56-F79 HydrophobicContact CB-CE2 4Å; I56-F79 HydrophobicContact CB-CZ 4.03Å; I56-F79 HydrophobicContact CD1-CE2 4.49Å; I56-F79 HydrophobicContact CG2-CE1 4.14Å; I56-F79 HydrophobicContact CG2-CE2 3.85Å; I56-F79 HydrophobicContact CG2-CZ 3.63Å; V59-F79 HydrophobicContact CB-CB 4.36Å; V59-F79 HydrophobicContact CB-CD1 4.07Å; V59-F79 HydrophobicContact CB-CG 4.44Å; V59-F79 HydrophobicContact CG2-CB 3.86Å; V59-F79 HydrophobicContact CG2-CD1 3.6Å; V59-F79 HydrophobicContact CG2-CD2 4.37Å; V59-F79 HydrophobicContact CG2-CE1 4.21Å; V59-F79 HydrophobicContact CG2-CG 3.69Å; V74-F79 HydrophobicContact CB-CD1 4.41Å; V74-F79 HydrophobicContact CG1-CD1 3.97Å; P77-F79 HydrophobicContact CB-CD2 4.26Å; P77-F79 HydrophobicContact CB-CE2 4.16Å
80E97.6Very high97.1Very high58 Ų5858.8 Ų58.827%0.27130%0.301SS..EExtended strand (participates in β ladder)trans-136.8157.3-177.566.3-174.3-15800112.2T40 A41 F42 R44 P78T40-E80 HydrophobicContact CG2-CB 4.06Å; T40-E80 HydrophobicContact CG2-CG 4.42Å; A41-E80 CarbonylContact O-C 3.54Å; A41-E80 WeakPolarHBondContact O-CA 3.36Å; A41-E80 WeakPolarHBondContact O-CB 3.29Å; F42-E80 HydrophobicContact CB-CB 3.85Å; R44-E80 IonicContact NH2-OE2 3.02Å; R44-E80 PolarHBondContact NH2-OE2 2.73Å; P78-E80 HydrophobicContact CB-CG 3.97Å; P78-E80 HydrophobicContact CG-CG 4.03Å; P78-E80 PolarHBondContact O-N 3.35Å
81L98.2Very high97.1Very high21 Ų2156.8 Ų56.811%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-137.6118.9178.6175.970000109.1W39 T40 A41 F61 L63 R72 I91W39-L81 HydrophobicContact CH2-CD2 4.32Å; W39-L81 HydrophobicContact CZ3-CD2 4.48Å; T40-L81 CarbonylContact C-O 3.53Å; T40-L81 WeakPolarHBondContact CA-O 3.2Å; A41-L81 PolarHBondContact N-O 3.43Å; A41-L81 PolarHBondContact O-N 3.09Å; F61-L81 HydrophobicContact CB-CD2 3.8Å; F61-L81 HydrophobicContact CD1-CB 4.37Å; F61-L81 HydrophobicContact CD2-CB 4.1Å; F61-L81 HydrophobicContact CE2-CB 4.33Å; F61-L81 HydrophobicContact CG-CB 4.13Å; F61-L81 HydrophobicContact CG-CD2 4.14Å; L63-L81 HydrophobicContact CD1-CD2 3.28Å; L63-L81 HydrophobicContact CD2-CD2 4.17Å; L63-L81 HydrophobicContact CG-CD2 4.13Å; R72-L81 HydrophobicContact CB-CD1 4.28Å; R72-L81 HydrophobicContact CB-CD2 4.35Å; L81-I91 HydrophobicContact CD2-CD1 4.45Å
82T98.2Very high97.2Very high66 Ų6654.9 Ų54.941%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-100.7135.7174.3-58.90000110.7Q38 W39 T40Q38-T82 HydrophobicContact CG-CG2 3.84Å; W39-T82 CarbonylContact O-C 3.48Å; W39-T82 WeakPolarHBondContact O-CA 3.23Å; T40-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T40-T82 PolarHBondContact OG1-OG1 2.81Å
83E97.7Very high97.2Very high44 Ų4453.2 Ų53.221%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-158.1172179.5-176.555.6-90.600109.9W39 L63 Y67 R72W39-E83 HydrophobicContact CD2-CB 4.34Å; W39-E83 HydrophobicContact CH2-CB 3.71Å; W39-E83 HydrophobicContact CH2-CG 4.3Å; W39-E83 HydrophobicContact CZ2-CB 3.47Å; W39-E83 VanDerWaalsContact CZ2-CB 3.47Å; W39-E83 HydrophobicContact CZ2-CG 3.74Å; W39-E83 HydrophobicContact CZ3-CB 4.22Å; W39-E83 PolarHBondContact N-O 2.82Å; W39-E83 PolarHBondContact O-N 2.9Å; L63-E83 HydrophobicContact CD2-CG 4.26Å; Y67-E83 HydrophobicContact CD1-CG 3.77Å; Y67-E83 HydrophobicContact CE1-CG 3.41Å; Y67-E83 VanDerWaalsContact CE1-CG 3.41Å; R72-E83 IonicContact CZ-OE2 3.33Å; R72-E83 VanDerWaalsContact CZ-OE2 3.25Å; R72-E83 IonicContact NH1-OE2 2.62Å; R72-E83 PolarHBondContact NH1-OE2 3.36Å; R72-E83 IonicContact NH2-OE2 3.54Å; R72-E83 PolarHBondContact NH2-OE2 3.26Å
84T97.4Very high97.2Very high16 Ų1653.1 Ų53.110%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-104.7151.6176.253.50000111.6R30 R35 H37 Q38 W39 Y67R30-T84 PolarHBondContact NH2-OG1 3.26Å; R35-T84 PolarHBondContact NH1-O 3.46Å; H37-T84 CarbonylContact O-C 3.44Å; H37-T84 WeakPolarHBondContact O-CA 3.18Å; Q38-T84 HydrophobicContact CB-CG2 4.49Å; W39-T84 PolarHBondContact NE1-O 2.88Å; Y67-T84 VanDerWaalsContact CE1-O 3.29Å; Y67-T84 WeakPolarHBondContact CE1-O 3.15Å; Y67-T84 PolarHBondContact OH-O 3Å; Y67-T84 VanDerWaalsContact OH-O 3.09Å
85G96.6Very high97.2Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-150.9160.3-176.500000112.2T36 H37T36-G85 PolarHBondContact N-O 3.48Å; T36-G85 PolarHBondContact OG1-O 3.25Å; H37-G85 PolarHBondContact N-O 2.76Å; H37-G85 PolarHBondContact O-N 2.76Å
86W95.3Very high97.2Very high169 Ų16947.8 Ų47.864%0.6424%0.241SC*.SBendtrans-118.3-10.4170.662.6-100.2000113.2T36 F114T36-W86 WeakPolarHBondContact OG1-CA 3.32Å; W86-F114 WeakPolarHBondContact O-CZ 3.4Å
87G96.2Very high97.4Very high18 Ų1840.2 Ų40.219%0.18621%0.208CC..SBendtrans-146.1163.3-177.500000111.6L113G87-L113 VanDerWaalsContact O-CD1 3.23Å; G87-L113 WeakPolarHBondContact O-CD1 3.43Å
88E97.9Very high97.6Very high59 Ų5940.2 Ų40.228%0.27621%0.207SC..  trans-83.1142.4176.7-57-167.4155.400110L110 I111 K112 L113 F114E88-L110 HydrophobicContact CB-CD1 4.13Å; E88-I111 WeakPolarHBondContact CA-O 3.36Å; E88-I111 WeakPolarHBondContact CB-O 3.37Å; E88-I111 WeakPolarHBondContact CG-O 3.35Å; E88-K112 VanDerWaalsContact CD-CD 3.41Å; E88-K112 WeakPolarHBondContact OE1-CA 3.35Å; E88-K112 WeakPolarHBondContact OE1-CD 3.26Å; E88-K112 IonicContact OE1-NZ 3.86Å; E88-K112 VanDerWaalsContact OE2-CD 3.22Å; E88-K112 WeakPolarHBondContact OE2-CD 3.37Å; E88-K112 IonicContact OE2-NZ 3.12Å; E88-K112 PolarHBondContact OE2-NZ 2.89Å; E88-L113 HydrophobicContact CG-CB 4.27Å; E88-L113 HydrophobicContact CG-CG 4.4Å; E88-L113 PolarHBondContact OE1-N 2.88Å; E88-F114 HydrophobicContact CG-CD2 3.85Å; E88-F114 HydrophobicContact CG-CE2 4.14Å; E88-F114 PolarHBondContact OE1-N 3.08Å
89F98Very high97.8Very high24 Ų2437.2 Ų37.211%0.10519%0.187CC..EExtended strand (participates in β ladder)trans-158.2162.4179.769.7-81.6000110.4W39 L63 H64 Y67 I91 I111W39-F89 AromaticContact CH2-CZ 3.98Å; W39-F89 HydrophobicContact CH2-CZ 3.98Å; W39-F89 AromaticContact CZ2-CE1 3.92Å; W39-F89 HydrophobicContact CZ2-CE1 3.92Å; W39-F89 AromaticContact CZ2-CZ 3.62Å; W39-F89 HydrophobicContact CZ2-CZ 3.62Å; L63-F89 HydrophobicContact CB-CE2 4.3Å; H64-F89 HydrophobicContact CB-CB 4.4Å; H64-F89 HydrophobicContact CB-CD2 3.72Å; H64-F89 HydrophobicContact CB-CE2 4.2Å; H64-F89 HydrophobicContact CB-CG 4.04Å; Y67-F89 AromaticContact CE2-CE1 3.98Å; Y67-F89 HydrophobicContact CE2-CE1 3.98Å; Y67-F89 HydrophobicContact CE2-CZ 4.01Å; F89-I91 HydrophobicContact CE2-CB 4.17Å; F89-I111 HydrophobicContact CD1-CB 4.36Å; F89-I111 HydrophobicContact CE1-CB 4.2Å; F89-I111 HydrophobicContact CE1-CG1 4.09Å; F89-I111 HydrophobicContact CE1-CG2 4.34Å; F89-I111 HydrophobicContact CE2-CG1 4.38Å; F89-I111 HydrophobicContact CZ-CG1 3.98Å; F89-I111 WeakPolarHBondContact O-CB 3.48Å; F89-I111 PolarHBondContact O-N 3.43Å
90D98.3Very high97.7Very high98 Ų9841.6 Ų41.652%0.52422%0.216SC..EExtended strand (participates in β ladder)trans-80.1122.8174.6-69.5-37.9000111.4T108 H109 L110D90-T108 HydrophobicContact CB-CG2 3.93Å; D90-H109 CarbonylContact C-O 3.59Å; D90-H109 WeakPolarHBondContact CA-O 3.42Å; D90-L110 WeakPolarHBondContact OD1-CA 3.32Å; D90-L110 WeakPolarHBondContact OD1-CB 3.38Å
91I98.6Very high97.6Very high0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-97.1135.3167.3-165.2170.9000109.1W39 A41 F61 K62 L63 L81 F89 M93 H109 I111W39-I91 HydrophobicContact CH2-CD1 4.24Å; W39-I91 HydrophobicContact CZ3-CD1 4.16Å; A41-I91 HydrophobicContact CB-CD1 3.8Å; F61-I91 HydrophobicContact CB-CD1 4.23Å; F61-I91 HydrophobicContact CD1-CD1 3.81Å; F61-I91 HydrophobicContact CD1-CG1 4.45Å; F61-I91 HydrophobicContact CG-CD1 4.46Å; K62-I91 WeakPolarHBondContact O-CA 3.39Å; K62-I91 WeakPolarHBondContact O-CG1 3.34Å; L63-I91 HydrophobicContact CD1-CD1 4.41Å; L63-I91 HydrophobicContact CG-CD1 4.44Å; L81-I91 HydrophobicContact CD2-CD1 4.45Å; F89-I91 HydrophobicContact CE2-CB 4.17Å; I91-M93 HydrophobicContact CG2-CE 4.07Å; I91-H109 HydrophobicContact CG2-CB 3.98Å; I91-H109 WeakPolarHBondContact CG2-O 3.43Å; I91-H109 PolarHBondContact N-O 2.81Å; I91-H109 PolarHBondContact O-N 3.44Å; I91-I111 HydrophobicContact CB-CD1 4.27Å; I91-I111 HydrophobicContact CB-CG1 4.04Å; I91-I111 HydrophobicContact CG2-CD1 3.67Å; I91-I111 HydrophobicContact CG2-CG1 3.86Å
92T98.7Very high97.6Very high37 Ų3747 Ų4723%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-100128.3171.6-47.70000110F61 K62 I106 I107F61-T92 CarbonylContact C-O 3.49Å; F61-T92 WeakPolarHBondContact CA-O 3.31Å; K62-T92 PolarHBondContact N-O 2.95Å; K62-T92 PolarHBondContact O-N 2.85Å; T92-I106 HydrophobicContact CG2-CG2 3.5Å; T92-I107 CarbonylContact C-O 3.47Å; T92-I107 WeakPolarHBondContact CA-O 3.28Å
93M98.7Very high97.5Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-107.6106.9172-47.8-179-171.600108.7A41 L43 V59 F61 I91 I107 H109A41-M93 HydrophobicContact CB-CE 4.12Å; L43-M93 HydrophobicContact CB-SD 4.47Å; V59-M93 HydrophobicContact CG1-CB 4.17Å; F61-M93 HydrophobicContact CD1-CG 3.81Å; F61-M93 HydrophobicContact CD1-SD 4.44Å; F61-M93 HydrophobicContact CE1-CB 4.48Å; F61-M93 HydrophobicContact CE1-CE 4.05Å; F61-M93 HydrophobicContact CE1-CG 3.72Å; F61-M93 HydrophobicContact CE1-SD 3.79Å; I91-M93 HydrophobicContact CG2-CE 4.07Å; M93-I107 HydrophobicContact CB-CB 4.28Å; M93-I107 PolarHBondContact N-O 3.05Å; M93-I107 PolarHBondContact O-N 2.75Å; M93-H109 HydrophobicContact CE-CB 4.26Å
94K98.7Very high97.5Very high78 Ų7852.5 Ų52.534%0.33927%0.268SS..EExtended strand (participates in β ladder)trans-92.1105.6172.3174.4173.4-172.8178.50109.1V59 Q60 I96 P104 L105 I106V59-K94 WeakPolarHBondContact CA-O 3.34Å; Q60-K94 HydrophobicContact CB-CB 4.2Å; Q60-K94 PolarHBondContact N-O 2.81Å; Q60-K94 PolarHBondContact O-N 3.46Å; K94-I96 HydrophobicContact CD-CD1 4.41Å; K94-I96 HydrophobicContact CG-CD1 3.93Å; K94-I96 HydrophobicContact CG-CG1 4.12Å; K94-I96 WeakPolarHBondContact O-CD1 3.43Å; K94-P104 HydrophobicContact CG-CB 4.04Å; K94-L105 CarbonylContact C-O 3.56Å; K94-L105 WeakPolarHBondContact CA-O 3.18Å; K94-I106 HydrophobicContact CB-CD1 3.56Å; K94-I106 HydrophobicContact CD-CD1 3.78Å; K94-I106 HydrophobicContact CG-CD1 3.41Å; K94-I106 VanDerWaalsContact CG-CD1 3.41Å
95V98.7Very high97.6Very high0 Ų054.4 Ų54.40%028%0.277CS..EExtended strand (participates in β ladder)trans-85.7120.8177.4-171.50000108.7L43 I56 V59 F97 P104 L105 I107 M135L43-V95 HydrophobicContact CD2-CG1 4.28Å; L43-V95 HydrophobicContact CD2-CG2 3.56Å; I56-V95 HydrophobicContact CB-CG1 4.39Å; I56-V95 HydrophobicContact CD1-CG1 3.74Å; I56-V95 HydrophobicContact CG1-CG1 3.89Å; I56-V95 HydrophobicContact CG2-CG1 3.72Å; V59-V95 HydrophobicContact CG2-CG1 4.46Å; V59-V95 HydrophobicContact CG2-CG2 4.45Å; V95-F97 HydrophobicContact CG1-CD1 4.36Å; V95-F97 HydrophobicContact CG1-CE1 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.22Å; V95-P104 CarbonylContact O-C 3.57Å; V95-P104 WeakPolarHBondContact O-CA 3.44Å; V95-P104 VanDerWaalsContact O-CB 3.32Å; V95-P104 WeakPolarHBondContact O-CB 3.48Å; V95-L105 HydrophobicContact CB-CB 4.17Å; V95-L105 PolarHBondContact N-O 2.76Å; V95-L105 PolarHBondContact O-N 2.79Å; V95-I107 HydrophobicContact CG2-CD1 4.34Å; V95-M135 HydrophobicContact CG1-CE 4.09Å; V95-M135 HydrophobicContact CG2-CE 4.31Å
96I98.6Very high97.7Very high14 Ų1458.7 Ų58.77%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-110.9123.3178.6-60.6112.9000108.4R57 K58 Q60 K94 P104R57-I96 WeakPolarHBondContact CA-O 3.4Å; R57-I96 WeakPolarHBondContact CB-O 3.49Å; R57-I96 PolarHBondContact N-O 3.09Å; K58-I96 HydrophobicContact CD-CD1 4.37Å; K58-I96 HydrophobicContact CG-CB 3.89Å; K58-I96 HydrophobicContact CG-CD1 3.75Å; K58-I96 HydrophobicContact CG-CG1 4.4Å; K58-I96 HydrophobicContact CG-CG2 4.4Å; K58-I96 PolarHBondContact N-O 3.44Å; K58-I96 VanDerWaalsContact N-O 3.15Å; K58-I96 PolarHBondContact O-N 3.41Å; Q60-I96 HydrophobicContact CB-CD1 4.23Å; K94-I96 HydrophobicContact CD-CD1 4.41Å; K94-I96 HydrophobicContact CG-CD1 3.93Å; K94-I96 HydrophobicContact CG-CG1 4.12Å; K94-I96 WeakPolarHBondContact O-CD1 3.43Å; I96-P104 HydrophobicContact CG1-CB 4.28Å; I96-P104 HydrophobicContact CG1-CG 4.33Å
97F98.4Very high97.8Very high5 Ų550.9 Ų50.92%0.02227%0.27CS..EExtended strand (participates in β ladder)trans-80.4166.8-174.8-57.3-65.4000113F55 I56 R57 V95 E102 K103 L105 M135 F137 F144F55-F97 CarbonylContact O-C 3.58Å; F55-F97 VanDerWaalsContact O-CA 3.26Å; F55-F97 WeakPolarHBondContact O-CA 3.49Å; F55-F97 WeakPolarHBondContact O-CB 3.27Å; F55-F97 WeakPolarHBondContact O-CD1 3.41Å; I56-F97 HydrophobicContact CG1-CD1 4.39Å; I56-F97 HydrophobicContact CG1-CE1 4.42Å; R57-F97 WeakPolarHBondContact CB-O 3.45Å; V95-F97 HydrophobicContact CG1-CD1 4.36Å; V95-F97 HydrophobicContact CG1-CE1 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.22Å; F97-E102 HydrophobicContact CB-CB 4.23Å; F97-E102 HydrophobicContact CB-CG 4.37Å; F97-E102 HydrophobicContact CD2-CB 4.07Å; F97-E102 HydrophobicContact CD2-CG 3.48Å; F97-E102 VanDerWaalsContact CD2-CG 3.48Å; F97-E102 HydrophobicContact CE2-CG 4.05Å; F97-E102 HydrophobicContact CG-CB 4.49Å; F97-E102 HydrophobicContact CG-CG 4.11Å; F97-K103 WeakPolarHBondContact CD2-O 3.22Å; F97-K103 WeakPolarHBondContact CE2-O 3.4Å; F97-L105 HydrophobicContact CE2-CB 4.12Å; F97-L105 HydrophobicContact CZ-CB 3.82Å; F97-M135 HydrophobicContact CE1-SD 3.8Å; F97-M135 HydrophobicContact CZ-SD 4.15Å; F97-F137 HydrophobicContact CD1-CE1 4.17Å; F97-F137 HydrophobicContact CD1-CZ 4.14Å; F97-F137 HydrophobicContact CD2-CE1 4.26Å; F97-F137 AromaticContact CE1-CE1 3.78Å; F97-F137 HydrophobicContact CE1-CE1 3.78Å; F97-F137 AromaticContact CE1-CZ 3.55Å; F97-F137 HydrophobicContact CE1-CZ 3.55Å; F97-F137 AromaticContact CE2-CE1 3.84Å; F97-F137 HydrophobicContact CE2-CE1 3.84Å; F97-F137 HydrophobicContact CE2-CZ 4.41Å; F97-F137 HydrophobicContact CG-CE1 4.4Å; F97-F137 AromaticContact CZ-CE1 3.59Å; F97-F137 HydrophobicContact CZ-CE1 3.59Å; F97-F137 AromaticContact CZ-CZ 3.7Å; F97-F137 HydrophobicContact CZ-CZ 3.7Å; F97-F144 HydrophobicContact CB-CE2 3.93Å; F97-F144 HydrophobicContact CB-CZ 3.83Å; F97-F144 HydrophobicContact CD1-CZ 4.07Å; F97-F144 HydrophobicContact CG-CE2 4.5Å; F97-F144 AromaticContact CG-CZ 3.94Å; F97-F144 HydrophobicContact CG-CZ 3.94Å
98T97.5Very high97.9Very high54 Ų5454 Ų5433%0.33129%0.285SS..SBendtrans-69.1-34.3176.151.90000112F55 R57 P100F55-T98 PolarHBondContact O-N 2.94Å; F55-T98 PolarHBondContact O-OG1 2.83Å; R57-T98 HydrophobicContact CB-CG2 4.24Å; T98-P100 WeakPolarHBondContact O-CD 3.45Å
99D97.2Very high98Very high17 Ų1751.2 Ų51.29%0.09127%0.272CS..SBendtrans-77.3116168.1-168.6-18.8000109.9N101 E102 S141 F144D99-N101 PolarHBondContact O-N 2.88Å; D99-N101 WeakPolarHBondContact OD1-CB 3.06Å; D99-N101 PolarHBondContact OD1-N 2.79Å; D99-N101 PolarHBondContact OD1-ND2 2.91Å; D99-E102 HydrophobicContact CB-CB 4.19Å; D99-E102 PolarHBondContact O-N 2.78Å; D99-S141 WeakPolarHBondContact OD2-CB 3.27Å; D99-S141 PolarHBondContact OD2-OG 3.32Å; D99-F144 HydrophobicContact CB-CB 3.84Å; D99-F144 HydrophobicContact CB-CD1 4.38Å; D99-F144 HydrophobicContact CB-CD2 3.61Å; D99-F144 HydrophobicContact CB-CE2 4.26Å; D99-F144 HydrophobicContact CB-CG 3.7Å
100P96.1Very high98Very high96 Ų9652.5 Ų52.562%0.62328%0.28SS*.THydrogen-bonded Turntrans-68.2-17178.729.4-36.3000113.7T98T98-P100 WeakPolarHBondContact O-CD 3.45Å
101N95.5Very high98Very high142 Ų14247.8 Ų47.876%0.75926%0.255SS*.THydrogen-bonded Turntrans-84.1-17.5177.5-54.2-66.4000112.3D99D99-N101 PolarHBondContact O-N 2.88Å; D99-N101 WeakPolarHBondContact OD1-CB 3.06Å; D99-N101 PolarHBondContact OD1-N 2.79Å; D99-N101 PolarHBondContact OD1-ND2 2.91Å
102E96.6Very high98Very high49 Ų4950.9 Ų50.923%0.22927%0.268CS..SBendtrans-75.2134174.6-172.456.8-101.600110.2F97 D99 F137 F144F97-E102 HydrophobicContact CB-CB 4.23Å; F97-E102 HydrophobicContact CB-CG 4.37Å; F97-E102 HydrophobicContact CD2-CB 4.07Å; F97-E102 HydrophobicContact CD2-CG 3.48Å; F97-E102 VanDerWaalsContact CD2-CG 3.48Å; F97-E102 HydrophobicContact CE2-CG 4.05Å; F97-E102 HydrophobicContact CG-CB 4.49Å; F97-E102 HydrophobicContact CG-CG 4.11Å; D99-E102 HydrophobicContact CB-CB 4.19Å; D99-E102 PolarHBondContact O-N 2.78Å; E102-F137 HydrophobicContact CG-CD1 4.16Å; E102-F137 HydrophobicContact CG-CE1 4.16Å; E102-F144 HydrophobicContact CB-CD1 4.47Å; E102-F144 HydrophobicContact CB-CE1 4.13Å; E102-F144 HydrophobicContact CB-CZ 4.47Å; E102-F144 HydrophobicContact CG-CD1 4.41Å; E102-F144 HydrophobicContact CG-CE1 3.73Å; E102-F144 HydrophobicContact CG-CZ 4.17Å
103K97Very high97.9Very high170 Ų17049.1 Ų49.174%0.73926%0.258SS*.PPolyproline II helixtrans-69.8136.1-177.2-71.9179.6-177.3172.30109.6F97 L105F97-K103 WeakPolarHBondContact CD2-O 3.22Å; F97-K103 WeakPolarHBondContact CE2-O 3.4Å; K103-L105 PolarHBondContact O-N 2.81Å
104P98.2Very high97.8Very high57 Ų5754.3 Ų54.337%0.3728%0.281SS..PPolyproline II helixtrans-58.6137.8174.1-25.935.2000112.4K94 V95 I96K94-P104 HydrophobicContact CG-CB 4.04Å; V95-P104 CarbonylContact O-C 3.57Å; V95-P104 WeakPolarHBondContact O-CA 3.44Å; V95-P104 VanDerWaalsContact O-CB 3.32Å; V95-P104 WeakPolarHBondContact O-CB 3.48Å; I96-P104 HydrophobicContact CG1-CB 4.28Å; I96-P104 HydrophobicContact CG1-CG 4.33Å
105L98.4Very high97.6Very high55 Ų5555.3 Ų55.329%0.28829%0.286SS..EExtended strand (participates in β ladder)trans-82.7133.7170.2174.668.2000109.6K94 V95 F97 K103 I107 M135K94-L105 CarbonylContact C-O 3.56Å; K94-L105 WeakPolarHBondContact CA-O 3.18Å; V95-L105 HydrophobicContact CB-CB 4.17Å; V95-L105 PolarHBondContact N-O 2.76Å; V95-L105 PolarHBondContact O-N 2.79Å; F97-L105 HydrophobicContact CE2-CB 4.12Å; F97-L105 HydrophobicContact CZ-CB 3.82Å; K103-L105 PolarHBondContact O-N 2.81Å; L105-I107 HydrophobicContact CD2-CD1 4Å; L105-I107 HydrophobicContact CD2-CG1 4.1Å; L105-I107 HydrophobicContact CG-CD1 4.46Å; L105-I107 HydrophobicContact CG-CG1 4.05Å; L105-M135 HydrophobicContact CD2-CE 3.91Å; L105-M135 HydrophobicContact CD2-CG 3.74Å; L105-M135 HydrophobicContact CD2-SD 4.15Å
106I98.5Very high97.3Very high90 Ų9060.7 Ų60.746%0.46232%0.323SS..EExtended strand (participates in β ladder)trans-113.4115.9178.1-53.3-61.8000108.7T92 K94T92-I106 HydrophobicContact CG2-CG2 3.5Å; K94-I106 HydrophobicContact CB-CD1 3.56Å; K94-I106 HydrophobicContact CD-CD1 3.78Å; K94-I106 HydrophobicContact CG-CD1 3.41Å; K94-I106 VanDerWaalsContact CG-CD1 3.41Å
107I98.6Very high97.1Very high6 Ų662.4 Ų62.43%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-109.3133.1176.6-57.1171.5000107.9I17 Y19 L43 T92 M93 V95 L105I17-I107 HydrophobicContact CD1-CD1 3.89Å; Y19-I107 HydrophobicContact CD1-CD1 4.03Å; Y19-I107 HydrophobicContact CD1-CG2 3.84Å; Y19-I107 HydrophobicContact CD2-CG2 3.62Å; Y19-I107 HydrophobicContact CE1-CD1 4.4Å; Y19-I107 HydrophobicContact CE1-CG2 3.62Å; Y19-I107 HydrophobicContact CE2-CG2 3.41Å; Y19-I107 VanDerWaalsContact CE2-CG2 3.41Å; Y19-I107 HydrophobicContact CG-CD1 4.46Å; Y19-I107 HydrophobicContact CG-CG2 3.82Å; Y19-I107 VanDerWaalsContact CZ-CG2 3.42Å; L43-I107 HydrophobicContact CD1-CD1 4.18Å; T92-I107 CarbonylContact C-O 3.47Å; T92-I107 WeakPolarHBondContact CA-O 3.28Å; M93-I107 HydrophobicContact CB-CB 4.28Å; M93-I107 PolarHBondContact N-O 3.05Å; M93-I107 PolarHBondContact O-N 2.75Å; V95-I107 HydrophobicContact CG2-CD1 4.34Å; L105-I107 HydrophobicContact CD2-CD1 4Å; L105-I107 HydrophobicContact CD2-CG1 4.1Å; L105-I107 HydrophobicContact CG-CD1 4.46Å; L105-I107 HydrophobicContact CG-CG1 4.05Å
108T98.5Very high97Very high82 Ų8268 Ų6850%0.50336%0.358SS..EExtended strand (participates in β ladder)trans-111.5124.8171.1-58.20000108.5D90D90-T108 HydrophobicContact CB-CG2 3.93Å
109H98.5Very high96.9Very high1 Ų169.6 Ų69.61%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-128.5132.4-177.7176.258.7000110.2Y19 N21 D90 I91 M93 I111Y19-H109 HydrophobicContact CD2-CB 3.96Å; Y19-H109 HydrophobicContact CE2-CB 3.95Å; N21-H109 PolarHBondContact N-NE2 2.68Å; N21-H109 PolarHBondContact OD1-NE2 3.48Å; D90-H109 CarbonylContact C-O 3.59Å; D90-H109 WeakPolarHBondContact CA-O 3.42Å; I91-H109 HydrophobicContact CG2-CB 3.98Å; I91-H109 WeakPolarHBondContact CG2-O 3.43Å; I91-H109 PolarHBondContact N-O 2.81Å; I91-H109 PolarHBondContact O-N 3.44Å; M93-H109 HydrophobicContact CE-CB 4.26Å; H109-I111 PolarHBondContact O-N 3.35Å
110L98.5Very high96.8Very high51 Ų5169.5 Ų69.527%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-83.2113.4174167.668.4000109.5E88 D90 K112 R129E88-L110 HydrophobicContact CB-CD1 4.13Å; D90-L110 WeakPolarHBondContact OD1-CA 3.32Å; D90-L110 WeakPolarHBondContact OD1-CB 3.38Å; L110-K112 HydrophobicContact CD2-CD 4.42Å; L110-K112 PolarHBondContact O-N 2.99Å; L110-R129 PolarHBondContact O-NH1 2.85Å
111I98.5Very high96.7Very high0 Ų070.3 Ų70.30%036%0.358CS..EExtended strand (participates in β ladder)trans-63.4115.3173.5-63.7-64.4000109.2N21 W39 A41 E88 F89 I91 H109 L113N21-I111 HydrophobicContact CB-CD1 3.69Å; W39-I111 HydrophobicContact CB-CG2 4.35Å; W39-I111 HydrophobicContact CD2-CG2 4.25Å; W39-I111 HydrophobicContact CE3-CD1 4.12Å; W39-I111 HydrophobicContact CG-CG2 4.1Å; W39-I111 HydrophobicContact CZ3-CD1 4.32Å; A41-I111 HydrophobicContact CB-CD1 3.88Å; E88-I111 WeakPolarHBondContact CA-O 3.36Å; E88-I111 WeakPolarHBondContact CB-O 3.37Å; E88-I111 WeakPolarHBondContact CG-O 3.35Å; F89-I111 HydrophobicContact CD1-CB 4.36Å; F89-I111 HydrophobicContact CE1-CB 4.2Å; F89-I111 HydrophobicContact CE1-CG1 4.09Å; F89-I111 HydrophobicContact CE1-CG2 4.34Å; F89-I111 HydrophobicContact CE2-CG1 4.38Å; F89-I111 HydrophobicContact CZ-CG1 3.98Å; F89-I111 WeakPolarHBondContact O-CB 3.48Å; F89-I111 PolarHBondContact O-N 3.43Å; I91-I111 HydrophobicContact CB-CD1 4.27Å; I91-I111 HydrophobicContact CB-CG1 4.04Å; I91-I111 HydrophobicContact CG2-CD1 3.67Å; I91-I111 HydrophobicContact CG2-CG1 3.86Å; H109-I111 PolarHBondContact O-N 3.35Å; I111-L113 HydrophobicContact CG2-CD2 3.89Å; I111-L113 HydrophobicContact CG2-CG 4.33Å
112K98Very high96.6Very high64 Ų6468.2 Ų68.228%0.27835%0.345SS..  trans-93.7129.2174.7-76.4-60.6-171.4176.30111.7N21 S23 E88 L110 L127 R129N21-K112 PolarHBondContact ND2-O 3.38Å; N21-K112 PolarHBondContact OD1-N 3.22Å; N21-K112 VanDerWaalsContact OD1-N 3.08Å; S23-K112 WeakPolarHBondContact CB-O 3.38Å; S23-K112 PolarHBondContact OG-O 3.25Å; E88-K112 VanDerWaalsContact CD-CD 3.41Å; E88-K112 WeakPolarHBondContact OE1-CA 3.35Å; E88-K112 WeakPolarHBondContact OE1-CD 3.26Å; E88-K112 IonicContact OE1-NZ 3.86Å; E88-K112 VanDerWaalsContact OE2-CD 3.22Å; E88-K112 WeakPolarHBondContact OE2-CD 3.37Å; E88-K112 IonicContact OE2-NZ 3.12Å; E88-K112 PolarHBondContact OE2-NZ 2.89Å; L110-K112 HydrophobicContact CD2-CD 4.42Å; L110-K112 PolarHBondContact O-N 2.99Å; K112-L127 HydrophobicContact CB-CD2 3.88Å; K112-R129 HydrophobicContact CB-CB 4.43Å; K112-R129 VanDerWaalsContact CG-CD 3.42Å
113L97.4Very high96.4Very high1 Ų166.2 Ų66.21%0.00534%0.337CS..  trans-117.2-28.8175.1-57.5-174.3000111.6H37 W39 G87 E88 I111H37-L113 HydrophobicContact CB-CD1 4.14Å; H37-L113 HydrophobicContact CB-CD2 3.95Å; H37-L113 HydrophobicContact CB-CG 4.44Å; H37-L113 PolarHBondContact NE2-O 2.93Å; W39-L113 HydrophobicContact CB-CD2 3.85Å; W39-L113 HydrophobicContact CG-CD2 4.13Å; G87-L113 VanDerWaalsContact O-CD1 3.23Å; G87-L113 WeakPolarHBondContact O-CD1 3.43Å; E88-L113 HydrophobicContact CG-CB 4.27Å; E88-L113 HydrophobicContact CG-CG 4.4Å; E88-L113 PolarHBondContact OE1-N 2.88Å; I111-L113 HydrophobicContact CG2-CD2 3.89Å; I111-L113 HydrophobicContact CG2-CG 4.33Å
114F95.6Very high96.3Very high109 Ų10964.3 Ų64.348%0.47833%0.331SS..  trans-113.6140.2-170.9-50.1-62000112H37 W86 E88H37-F114 AromaticContact CE1-CD1 3.95Å; H37-F114 AromaticContact CE1-CE1 3.48Å; H37-F114 VanDerWaalsContact CE1-CE1 3.48Å; H37-F114 WeakPolarHBondContact CE1-CE1 3.41Å; W86-F114 WeakPolarHBondContact O-CZ 3.4Å; E88-F114 HydrophobicContact CG-CD2 3.85Å; E88-F114 HydrophobicContact CG-CE2 4.14Å; E88-F114 PolarHBondContact OE1-N 3.08Å
115H94.3Very high96.1Very high98 Ų9867 Ų6745%0.45434%0.336SS..  trans-148.6155.9173.4-161.866.4000109.3D117 I120 M121 L127H115-D117 VanDerWaalsContact C-N 3.25Å; H115-D117 PolarHBondContact O-N 3.05Å; H115-I120 HydrophobicContact CB-CD1 4.2Å; H115-I120 HydrophobicContact CB-CG2 4.17Å; H115-M121 VanDerWaalsContact O-CG 3.28Å; H115-M121 WeakPolarHBondContact O-CG 3.39Å; H115-L127 HydrophobicContact CB-CD1 3.77Å; H115-L127 HydrophobicContact CB-CD2 4.19Å
116C93.1Very high96.1Very high114 Ų11466.5 Ų66.577%0.7734%0.338SS*.SBendtrans-79.5-4.4-178.755.20000114.1H118C116-H118 PolarHBondContact O-N 3.47Å
117D95.1Very high96Very high50 Ų5062.9 Ų62.927%0.26732%0.319SS..  trans-67.8124.1174.5-178.9-31000110.3H115 E119 I120 M121 K125H115-D117 VanDerWaalsContact C-N 3.25Å; H115-D117 PolarHBondContact O-N 3.05Å; D117-E119 VanDerWaalsContact C-N 3.34Å; D117-E119 PolarHBondContact O-N 3.32Å; D117-E119 WeakPolarHBondContact OD1-CB 3.44Å; D117-E119 PolarHBondContact OD1-N 3.27Å; D117-I120 HydrophobicContact CB-CB 4.19Å; D117-I120 HydrophobicContact CB-CD1 3.94Å; D117-I120 HydrophobicContact CB-CG1 4.02Å; D117-I120 WeakPolarHBondContact O-CB 3.42Å; D117-I120 PolarHBondContact O-N 3.15Å; D117-M121 WeakPolarHBondContact O-CG 3.38Å; D117-M121 PolarHBondContact O-N 3.38Å; D117-K125 IonicContact OD2-NZ 3.99Å
118H94.9Very high96Very high122 Ų12264.7 Ų64.757%0.56533%0.33SS*.Hα-helixtrans-59.5-39.6-177-172.366.9000113.1C116 I120 M121 M122C116-H118 PolarHBondContact O-N 3.47Å; H118-I120 VanDerWaalsContact C-N 3.28Å; H118-I120 PolarHBondContact O-N 2.98Å; H118-M121 PolarHBondContact O-N 3.46Å; H118-M122 WeakPolarHBondContact O-CB 3.48Å; H118-M122 VanDerWaalsContact O-CG 3.29Å; H118-M122 WeakPolarHBondContact O-CG 3.39Å; H118-M122 PolarHBondContact O-N 3.31Å
119E95.7Very high95.9Very high88 Ų8864.4 Ų64.441%0.41132%0.32SS..Hα-helixtrans-68.5-31.6-179.8-65.9-58.6126.600111.6D117 G123 H124 K125D117-E119 VanDerWaalsContact C-N 3.34Å; D117-E119 PolarHBondContact O-N 3.32Å; D117-E119 WeakPolarHBondContact OD1-CB 3.44Å; D117-E119 PolarHBondContact OD1-N 3.27Å; E119-G123 PolarHBondContact O-N 3.24Å; E119-H124 HydrophobicContact CB-CB 4.39Å; E119-H124 PolarHBondContact O-N 3.46Å; E119-H124 WeakPolarHBondContact OE2-CB 3.5Å; E119-H124 IonicContact OE2-CG 3.74Å; E119-H124 IonicContact OE2-ND1 2.74Å; E119-H124 PolarHBondContact OE2-ND1 2.99Å; E119-K125 HydrophobicContact CB-CB 3.9Å; E119-K125 PolarHBondContact O-N 2.87Å
120I95.3Very high95.9Very high14 Ų1465.2 Ų65.27%0.07232%0.324CS..Hα-helixtrans-71.3-45.5173.7-64.2-178.3000110.3H115 D117 H118 M122 G123 K125 L127H115-I120 HydrophobicContact CB-CD1 4.2Å; H115-I120 HydrophobicContact CB-CG2 4.17Å; D117-I120 HydrophobicContact CB-CB 4.19Å; D117-I120 HydrophobicContact CB-CD1 3.94Å; D117-I120 HydrophobicContact CB-CG1 4.02Å; D117-I120 WeakPolarHBondContact O-CB 3.42Å; D117-I120 PolarHBondContact O-N 3.15Å; H118-I120 VanDerWaalsContact C-N 3.28Å; H118-I120 PolarHBondContact O-N 2.98Å; I120-M122 VanDerWaalsContact C-N 3.26Å; I120-M122 PolarHBondContact O-N 2.8Å; I120-G123 PolarHBondContact O-N 3.08Å; I120-K125 WeakPolarHBondContact CA-O 3.26Å; I120-K125 HydrophobicContact CG1-CB 4.04Å; I120-K125 HydrophobicContact CG1-CD 4.16Å; I120-K125 HydrophobicContact CG1-CG 4.14Å; I120-L127 HydrophobicContact CD1-CB 4.22Å; I120-L127 HydrophobicContact CD1-CD1 3.86Å; I120-L127 HydrophobicContact CG2-CB 3.79Å
121M93.6Very high95.9Very high114 Ų11465 Ų6556%0.56232%0.323SS*.Hα-helixtrans-61-35.4178.2-68.7-178.771.600112.6Y25 H115 D117 H118 G123Y25-M121 VanDerWaalsContact CD1-O 3.22Å; Y25-M121 WeakPolarHBondContact CD1-O 3.5Å; H115-M121 VanDerWaalsContact O-CG 3.28Å; H115-M121 WeakPolarHBondContact O-CG 3.39Å; D117-M121 WeakPolarHBondContact O-CG 3.38Å; D117-M121 PolarHBondContact O-N 3.38Å; H118-M121 PolarHBondContact O-N 3.46Å; M121-G123 VanDerWaalsContact C-N 3.3Å
122M93.3Very high95.8Very high98 Ų9868.8 Ų68.848%0.48334%0.337SS..THydrogen-bonded Turntrans-82-5.9176.9-64.7-58.8-6600113.3H118 I120 H124H118-M122 WeakPolarHBondContact O-CB 3.48Å; H118-M122 VanDerWaalsContact O-CG 3.29Å; H118-M122 WeakPolarHBondContact O-CG 3.39Å; H118-M122 PolarHBondContact O-N 3.31Å; I120-M122 VanDerWaalsContact C-N 3.26Å; I120-M122 PolarHBondContact O-N 2.8Å; M122-H124 VanDerWaalsContact C-N 3.26Å; M122-H124 PolarHBondContact O-N 2.88Å
123G92.8Very high95.8Very high7 Ų768.7 Ų68.77%0.07234%0.34CS..THydrogen-bonded Turntrans73.913.3-179.100000114.8E119 I120 M121E119-G123 PolarHBondContact O-N 3.24Å; I120-G123 PolarHBondContact O-N 3.08Å; M121-G123 VanDerWaalsContact C-N 3.3Å
124H94.5Very high95.8Very high130 Ų13072.8 Ų72.860%0.60236%0.359SS*.SBendtrans-75.8-29.7173.6-60.8167.9000111.8E119 M122E119-H124 HydrophobicContact CB-CB 4.39Å; E119-H124 PolarHBondContact O-N 3.46Å; E119-H124 WeakPolarHBondContact OE2-CB 3.5Å; E119-H124 IonicContact OE2-CG 3.74Å; E119-H124 IonicContact OE2-ND1 2.74Å; E119-H124 PolarHBondContact OE2-ND1 2.99Å; M122-H124 VanDerWaalsContact C-N 3.26Å; M122-H124 PolarHBondContact O-N 2.88Å
125K95.6Very high95.9Very high112 Ų11267.8 Ų67.849%0.48734%0.337SS..SBendtrans-123.1140.4177.4-173.6178.6174.1-171.70110.3D117 E119 I120D117-K125 IonicContact OD2-NZ 3.99Å; E119-K125 HydrophobicContact CB-CB 3.9Å; E119-K125 PolarHBondContact O-N 2.87Å; I120-K125 WeakPolarHBondContact CA-O 3.26Å; I120-K125 HydrophobicContact CG1-CB 4.04Å; I120-K125 HydrophobicContact CG1-CD 4.16Å; I120-K125 HydrophobicContact CG1-CG 4.14Å
126S96.9Very high96.1Very high45 Ų4567 Ų6732%0.31534%0.34SS..  trans-75.6140.8171.3-60.50000110.4S23S23-S126 CarbonylContact O-C 3.5Å; S23-S126 VanDerWaalsContact O-CA 3.3Å; S23-S126 WeakPolarHBondContact O-CA 3.1Å; S23-S126 WeakPolarHBondContact O-CB 3.19Å
127L97.7Very high96.2Very high14 Ų1462 Ų627%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-80127.8166.6177.460.4000108.9V22 S23 K112 H115 I120V22-L127 CarbonylContact C-O 3.52Å; V22-L127 VanDerWaalsContact CA-O 3.29Å; V22-L127 WeakPolarHBondContact CA-O 3.32Å; S23-L127 PolarHBondContact N-O 2.9Å; S23-L127 PolarHBondContact O-N 3.19Å; K112-L127 HydrophobicContact CB-CD2 3.88Å; H115-L127 HydrophobicContact CB-CD1 3.77Å; H115-L127 HydrophobicContact CB-CD2 4.19Å; I120-L127 HydrophobicContact CD1-CB 4.22Å; I120-L127 HydrophobicContact CD1-CD1 3.86Å; I120-L127 HydrophobicContact CG2-CB 3.79Å
128V97.6Very high96.2Very high44 Ų4463.6 Ų63.627%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-120.1128.9178.4-175.40000108.7V22 E130 E164V22-V128 HydrophobicContact CG1-CG2 4.17Å; V22-V128 HydrophobicContact CG2-CB 4.47Å; V22-V128 HydrophobicContact CG2-CG1 4.06Å; V22-V128 HydrophobicContact CG2-CG2 3.97Å; V128-E130 HydrophobicContact CG1-CG 3.82Å; V128-E164 HydrophobicContact CB-CB 4.43Å; V128-E164 HydrophobicContact CG1-CB 4Å; V128-E164 HydrophobicContact CG1-CG 4.26Å; V128-E164 HydrophobicContact CG2-CB 4.47Å; V128-E164 HydrophobicContact CG2-CG 4.2Å
129R97.6Very high96.2Very high76 Ų7661.9 Ų61.929%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-129.4107.5171.8-179.5178.5176.8-1747108.7G20 N21 L110 K112G20-R129 CarbonylContact C-O 3.48Å; G20-R129 WeakPolarHBondContact CA-O 3.43Å; N21-R129 PolarHBondContact N-O 2.79Å; N21-R129 PolarHBondContact O-N 2.91Å; L110-R129 PolarHBondContact O-NH1 2.85Å; K112-R129 HydrophobicContact CB-CB 4.43Å; K112-R129 VanDerWaalsContact CG-CD 3.42Å
130E97.9Very high96.2Very high18 Ų1858.4 Ų58.48%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-115.6146.9176.5-64.8168148.200110.7V18 F42 V128 E164 T165 F167V18-E130 HydrophobicContact CG1-CB 3.86Å; V18-E130 HydrophobicContact CG1-CG 4.18Å; F42-E130 HydrophobicContact CE2-CG 4.06Å; F42-E130 HydrophobicContact CZ-CG 3.68Å; V128-E130 HydrophobicContact CG1-CG 3.82Å; E130-E164 PolarHBondContact OE1-N 3.49Å; E130-E164 PolarHBondContact OE2-N 3.35Å; E130-E164 VanDerWaalsContact OE2-N 3.12Å; E130-T165 WeakPolarHBondContact OE2-CB 3.48Å; E130-T165 PolarHBondContact OE2-N 3.33Å; E130-T165 PolarHBondContact OE2-OG1 3.37Å; E130-F167 HydrophobicContact CB-CE1 4.46Å; E130-F167 HydrophobicContact CB-CZ 3.75Å
131I98Very high96.1Very high48 Ų4859.5 Ų59.525%0.24631%0.305CS..EExtended strand (participates in β ladder)trans-130.6123.4178.8-61.2174.1000107.4V18 Y19V18-I131 WeakPolarHBondContact CA-O 3.34Å; Y19-I131 HydrophobicContact CD2-CB 4.33Å; Y19-I131 HydrophobicContact CE1-CB 4.19Å; Y19-I131 HydrophobicContact CE1-CG2 3.91Å; Y19-I131 HydrophobicContact CE2-CB 3.92Å; Y19-I131 HydrophobicContact CE2-CD1 3.72Å; Y19-I131 HydrophobicContact CE2-CG1 4.33Å; Y19-I131 HydrophobicContact CE2-CG2 4.2Å; Y19-I131 PolarHBondContact N-O 2.87Å; Y19-I131 PolarHBondContact O-N 2.83Å
132Y97.7Very high96.1Very high78 Ų7858.7 Ų58.731%0.30631%0.308SS..EExtended strand (participates in β ladder)trans-76.8135.7168176.4-87.7000109.6P16 Y46 E134P16-Y132 HydrophobicContact CB-CE2 3.86Å; P16-Y132 WeakPolarHBondContact CB-OH 3.44Å; Y46-Y132 HydrophobicContact CD1-CE2 4.18Å; Y46-Y132 AromaticContact CD2-CD2 3.65Å; Y46-Y132 HydrophobicContact CD2-CD2 3.65Å; Y46-Y132 AromaticContact CD2-CE2 3.71Å; Y46-Y132 HydrophobicContact CD2-CE2 3.71Å; Y46-Y132 HydrophobicContact CE2-CD2 4.06Å; Y46-Y132 HydrophobicContact CE2-CE2 4.11Å; Y46-Y132 HydrophobicContact CG-CD2 4.12Å; Y46-Y132 AromaticContact CG-CE2 3.75Å; Y46-Y132 HydrophobicContact CG-CE2 3.75Å; Y132-E134 HydrophobicContact CE1-CG 3.64Å; Y132-E134 WeakPolarHBondContact CE1-OE1 3.32Å; Y132-E134 WeakPolarHBondContact OH-CG 3.26Å; Y132-E134 PolarHBondContact OH-OE1 3.02Å
133D97.9Very high96.2Very high63 Ų6357.8 Ų57.834%0.33731%0.312SS..EExtended strand (participates in β ladder)trans-149.2168.8174.4-159.4-1.2000110.4I17 Y19I17-D133 HydrophobicContact CD1-CB 4.22Å; I17-D133 HydrophobicContact CG1-CB 4.11Å; I17-D133 VanDerWaalsContact CG1-O 3.32Å; I17-D133 WeakPolarHBondContact CG1-O 3.03Å; I17-D133 PolarHBondContact N-O 3.48Å; I17-D133 PolarHBondContact O-N 2.67Å; I17-D133 VanDerWaalsContact O-O 3.1Å; Y19-D133 HydrophobicContact CD1-CB 4.18Å; Y19-D133 HydrophobicContact CE1-CB 3.66Å
134E97.4Very high96.4Very high86 Ų8657.6 Ų57.640%0.40231%0.309SS..EExtended strand (participates in β ladder)trans-129.6119.7-176.3-71.8-179.9177.400110.2V14 Y132 V136V14-E134 HydrophobicContact CG1-CB 3.79Å; V14-E134 HydrophobicContact CG1-CG 3.97Å; Y132-E134 HydrophobicContact CE1-CG 3.64Å; Y132-E134 WeakPolarHBondContact CE1-OE1 3.32Å; Y132-E134 WeakPolarHBondContact OH-CG 3.26Å; Y132-E134 PolarHBondContact OH-OE1 3.02Å; E134-V136 PolarHBondContact O-N 3.27Å
135M97.6Very high96.4Very high4 Ų455.8 Ų55.82%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-78.1119.8168.5-47.8-175.2172.600108.7V14 K15 I17 L43 F55 I56 V95 F97 L105 F137V14-M135 CarbonylContact C-O 3.6Å; V14-M135 WeakPolarHBondContact CA-O 3.13Å; K15-M135 HydrophobicContact CB-CB 4.18Å; K15-M135 PolarHBondContact N-O 3.02Å; K15-M135 PolarHBondContact O-N 3.45Å; I17-M135 HydrophobicContact CD1-CE 3.69Å; I17-M135 HydrophobicContact CD1-CG 3.94Å; I17-M135 HydrophobicContact CG1-CE 4.43Å; I17-M135 HydrophobicContact CG1-CG 4.18Å; I17-M135 HydrophobicContact CG2-CE 3.8Å; I17-M135 HydrophobicContact CG2-CG 4.22Å; I17-M135 HydrophobicContact CG2-SD 4.31Å; L43-M135 HydrophobicContact CD1-CE 4.37Å; L43-M135 HydrophobicContact CD2-CE 4.1Å; F55-M135 HydrophobicContact CE2-SD 4.14Å; I56-M135 HydrophobicContact CD1-CE 3.83Å; V95-M135 HydrophobicContact CG1-CE 4.09Å; V95-M135 HydrophobicContact CG2-CE 4.31Å; F97-M135 HydrophobicContact CE1-SD 3.8Å; F97-M135 HydrophobicContact CZ-SD 4.15Å; L105-M135 HydrophobicContact CD2-CE 3.91Å; L105-M135 HydrophobicContact CD2-CG 3.74Å; L105-M135 HydrophobicContact CD2-SD 4.15Å; M135-F137 HydrophobicContact CB-CD2 4.5Å; M135-F137 HydrophobicContact CB-CE2 3.6Å; M135-F137 HydrophobicContact CB-CZ 3.76Å; M135-F137 HydrophobicContact SD-CE2 4.5Å; M135-F137 HydrophobicContact SD-CZ 4.08Å
136V96.9Very high96.4Very high83 Ų8359.1 Ų59.150%0.50331%0.307SS..EExtended strand (participates in β ladder)trans-108.8117.9-179.3-175.70000109.5T12 V14 E134 V138T12-V136 HydrophobicContact CG2-CG1 3.68Å; V14-V136 HydrophobicContact CG2-CG2 4.39Å; E134-V136 PolarHBondContact O-N 3.27Å; V136-V138 HydrophobicContact CG1-CG2 4.29Å
137F96.6Very high96.4Very high7 Ų758 Ų583%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-109.2118.4177.8-55.1-80.3000109.1T12 V13 K15 F97 E102 M135 F144 L148T12-F137 CarbonylContact C-O 3.51Å; T12-F137 WeakPolarHBondContact CA-O 3.32Å; V13-F137 PolarHBondContact N-O 3.04Å; V13-F137 PolarHBondContact O-N 3.35Å; K15-F137 HydrophobicContact CB-CE2 4.17Å; K15-F137 HydrophobicContact CG-CD2 4.44Å; K15-F137 HydrophobicContact CG-CE2 3.98Å; F97-F137 HydrophobicContact CD1-CE1 4.17Å; F97-F137 HydrophobicContact CD1-CZ 4.14Å; F97-F137 HydrophobicContact CD2-CE1 4.26Å; F97-F137 AromaticContact CE1-CE1 3.78Å; F97-F137 HydrophobicContact CE1-CE1 3.78Å; F97-F137 AromaticContact CE1-CZ 3.55Å; F97-F137 HydrophobicContact CE1-CZ 3.55Å; F97-F137 AromaticContact CE2-CE1 3.84Å; F97-F137 HydrophobicContact CE2-CE1 3.84Å; F97-F137 HydrophobicContact CE2-CZ 4.41Å; F97-F137 HydrophobicContact CG-CE1 4.4Å; F97-F137 AromaticContact CZ-CE1 3.59Å; F97-F137 HydrophobicContact CZ-CE1 3.59Å; F97-F137 AromaticContact CZ-CZ 3.7Å; F97-F137 HydrophobicContact CZ-CZ 3.7Å; E102-F137 HydrophobicContact CG-CD1 4.16Å; E102-F137 HydrophobicContact CG-CE1 4.16Å; M135-F137 HydrophobicContact CB-CD2 4.5Å; M135-F137 HydrophobicContact CB-CE2 3.6Å; M135-F137 HydrophobicContact CB-CZ 3.76Å; M135-F137 HydrophobicContact SD-CE2 4.5Å; M135-F137 HydrophobicContact SD-CZ 4.08Å; F137-F144 AromaticContact CD1-CE1 3.55Å; F137-F144 HydrophobicContact CD1-CE1 3.55Å; F137-F144 HydrophobicContact CD1-CZ 4.16Å; F137-F144 AromaticContact CE1-CE1 3.71Å; F137-F144 HydrophobicContact CE1-CE1 3.71Å; F137-F144 AromaticContact CE1-CZ 3.84Å; F137-F144 HydrophobicContact CE1-CZ 3.84Å; F137-F144 HydrophobicContact CG-CE1 4.11Å; F137-F144 HydrophobicContact CZ-CE1 4.41Å; F137-F144 HydrophobicContact CZ-CZ 4.25Å; F137-L148 HydrophobicContact CB-CD1 3.99Å; F137-L148 HydrophobicContact CD2-CD1 3.89Å; F137-L148 HydrophobicContact CD2-CD2 3.63Å; F137-L148 HydrophobicContact CD2-CG 4.44Å; F137-L148 HydrophobicContact CE2-CD2 3.5Å; F137-L148 VanDerWaalsContact CE2-CD2 3.5Å; F137-L148 HydrophobicContact CG-CD1 3.92Å; F137-L148 HydrophobicContact CG-CD2 4.31Å; F137-L148 HydrophobicContact CZ-CD2 4.08Å
138V95.5Very high96.3Very high85 Ų8557.3 Ų57.352%0.51530%0.297SS..EExtended strand (participates in β ladder)trans-105.3124.4179.6-179.40000108.4V136V136-V138 HydrophobicContact CG1-CG2 4.29Å
139D93.4Very high96.1Very high86 Ų8660 Ų6046%0.4631%0.307SS..SBendtrans5252-179.2-57.3-33.9000113.4K10 T11K10-D139 WeakPolarHBondContact CA-OD1 3.41Å; T11-D139 PolarHBondContact N-OD1 2.98Å; T11-D139 PolarHBondContact O-N 3.42Å
140P95.3Very high95.9Very high15 Ų1558.5 Ų58.510%0.09731%0.309CS..  trans-61.6149.6178.528.1-35.3000111.1T11 V13 F144 Y145 L148T11-P140 WeakPolarHBondContact O-CD 3.44Å; V13-P140 HydrophobicContact CG2-CG 4.25Å; P140-F144 HydrophobicContact CB-CB 4.38Å; P140-F144 HydrophobicContact CB-CD1 3.75Å; P140-Y145 HydrophobicContact CG-CD2 3.97Å; P140-L148 HydrophobicContact CB-CD1 3.97Å; P140-L148 HydrophobicContact CG-CD1 4.1Å
141S94.5Very high95.5Very high37 Ų3768.8 Ų68.826%0.25935%0.347SS..  trans-54.7149.8175.375.80000110.9D99 S143 F144 Y145D99-S141 WeakPolarHBondContact OD2-CB 3.27Å; D99-S141 PolarHBondContact OD2-OG 3.32Å; S141-S143 PolarHBondContact O-N 3.47Å; S141-S143 PolarHBondContact OG-OG 2.95Å; S141-F144 CarbonylContact O-C 3.59Å; S141-F144 PolarHBondContact O-N 2.73Å; S141-F144 VanDerWaalsContact OG-CB 3.28Å; S141-F144 WeakPolarHBondContact OG-CB 3.37Å; S141-F144 PolarHBondContact OG-N 3.13Å; S141-Y145 WeakPolarHBondContact O-CB 3.21Å; S141-Y145 PolarHBondContact O-N 2.96Å
142P94.1Very high95Very high97 Ų9768.8 Ų68.863%0.6335%0.351SS*.Hα-helixtrans-54.7-33.3-178-29.435.7000114.3R146P142-R146 WeakPolarHBondContact O-CG 3.47Å; P142-R146 PolarHBondContact O-N 3.07Å
143S94.2Very high94.5Very high79 Ų7971.4 Ų71.455%0.55237%0.366SS*.Hα-helixtrans-71.3-42.3173.944.60000112.6S141 R146 A147S141-S143 PolarHBondContact O-N 3.47Å; S141-S143 PolarHBondContact OG-OG 2.95Å; S143-R146 PolarHBondContact O-N 3.46Å; S143-A147 PolarHBondContact O-N 3.47Å; S143-A147 VanDerWaalsContact O-N 3.09Å
144F96.7Very high93.9Very high3 Ų370.7 Ų70.71%0.01336%0.362CS..Hα-helixtrans-70.8-37.1178.8-167.5-128.6000111.8F55 F97 D99 E102 F137 P140 S141 R146 A147 L148F55-F144 HydrophobicContact CB-CE2 3.85Å; F55-F144 HydrophobicContact CB-CZ 4.31Å; F97-F144 HydrophobicContact CB-CE2 3.93Å; F97-F144 HydrophobicContact CB-CZ 3.83Å; F97-F144 HydrophobicContact CD1-CZ 4.07Å; F97-F144 HydrophobicContact CG-CE2 4.5Å; F97-F144 AromaticContact CG-CZ 3.94Å; F97-F144 HydrophobicContact CG-CZ 3.94Å; D99-F144 HydrophobicContact CB-CB 3.84Å; D99-F144 HydrophobicContact CB-CD1 4.38Å; D99-F144 HydrophobicContact CB-CD2 3.61Å; D99-F144 HydrophobicContact CB-CE2 4.26Å; D99-F144 HydrophobicContact CB-CG 3.7Å; E102-F144 HydrophobicContact CB-CD1 4.47Å; E102-F144 HydrophobicContact CB-CE1 4.13Å; E102-F144 HydrophobicContact CB-CZ 4.47Å; E102-F144 HydrophobicContact CG-CD1 4.41Å; E102-F144 HydrophobicContact CG-CE1 3.73Å; E102-F144 HydrophobicContact CG-CZ 4.17Å; F137-F144 AromaticContact CD1-CE1 3.55Å; F137-F144 HydrophobicContact CD1-CE1 3.55Å; F137-F144 HydrophobicContact CD1-CZ 4.16Å; F137-F144 AromaticContact CE1-CE1 3.71Å; F137-F144 HydrophobicContact CE1-CE1 3.71Å; F137-F144 AromaticContact CE1-CZ 3.84Å; F137-F144 HydrophobicContact CE1-CZ 3.84Å; F137-F144 HydrophobicContact CG-CE1 4.11Å; F137-F144 HydrophobicContact CZ-CE1 4.41Å; F137-F144 HydrophobicContact CZ-CZ 4.25Å; P140-F144 HydrophobicContact CB-CB 4.38Å; P140-F144 HydrophobicContact CB-CD1 3.75Å; S141-F144 CarbonylContact O-C 3.59Å; S141-F144 PolarHBondContact O-N 2.73Å; S141-F144 VanDerWaalsContact OG-CB 3.28Å; S141-F144 WeakPolarHBondContact OG-CB 3.37Å; S141-F144 PolarHBondContact OG-N 3.13Å; F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.14Å; F144-A147 HydrophobicContact CD2-CB 4.42Å; F144-A147 CarbonylContact O-C 3.6Å; F144-A147 WeakPolarHBondContact O-CA 3.39Å; F144-A147 WeakPolarHBondContact O-CB 3.33Å; F144-A147 PolarHBondContact O-N 3.37Å; F144-A147 VanDerWaalsContact O-N 3.09Å; F144-L148 HydrophobicContact CD1-CD1 3.74Å; F144-L148 HydrophobicContact CD1-CG 4.26Å; F144-L148 HydrophobicContact CE1-CD1 3.72Å; F144-L148 HydrophobicContact CE1-CD2 4.22Å; F144-L148 HydrophobicContact CE1-CG 4.1Å; F144-L148 HydrophobicContact CE2-CD2 4.47Å; F144-L148 HydrophobicContact CE2-CG 4.41Å; F144-L148 HydrophobicContact CG-CD1 4.32Å; F144-L148 HydrophobicContact CG-CG 4.48Å; F144-L148 HydrophobicContact CZ-CD1 4.29Å; F144-L148 HydrophobicContact CZ-CD2 3.99Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CB 3.45Å; F144-L148 VanDerWaalsContact O-CG 3.28Å; F144-L148 WeakPolarHBondContact O-CG 3.34Å; F144-L148 PolarHBondContact O-N 3.21Å
145Y96Very high93.3Very high91 Ų9170.3 Ų70.336%0.35737%0.367SS..Hα-helixtrans-55.2-46.3170.3-178.3-99.9000111.6T11 V13 P140 S141 A147 L148 M149T11-Y145 HydrophobicContact CG2-CD2 3.83Å; T11-Y145 HydrophobicContact CG2-CE2 3.41Å; T11-Y145 VanDerWaalsContact CG2-CE2 3.41Å; V13-Y145 HydrophobicContact CG2-CD2 3.59Å; V13-Y145 HydrophobicContact CG2-CE2 3.53Å; P140-Y145 HydrophobicContact CG-CD2 3.97Å; S141-Y145 WeakPolarHBondContact O-CB 3.21Å; S141-Y145 PolarHBondContact O-N 2.96Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.35Å; Y145-L148 PolarHBondContact O-N 3.37Å; Y145-M149 HydrophobicContact CD1-CG 4.17Å; Y145-M149 HydrophobicContact CD2-CG 4.18Å; Y145-M149 HydrophobicContact CE1-CG 3.79Å; Y145-M149 HydrophobicContact CE2-CG 3.78Å; Y145-M149 HydrophobicContact CE2-SD 4.26Å; Y145-M149 HydrophobicContact CG-CG 4.36Å; Y145-M149 WeakPolarHBondContact O-CB 3.17Å; Y145-M149 VanDerWaalsContact O-CG 3.24Å; Y145-M149 WeakPolarHBondContact O-CG 3.17Å; Y145-M149 PolarHBondContact O-N 3.44Å
146R95.6Very high92.3Very high182 Ų18276.8 Ų76.869%0.68741%0.409SS*.Hα-helixtrans-62.6-39.1175.3-69.4175.4-154.71564.3112.4P142 S143 F144 M149 S150P142-R146 WeakPolarHBondContact O-CG 3.47Å; P142-R146 PolarHBondContact O-N 3.07Å; S143-R146 PolarHBondContact O-N 3.46Å; F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.14Å; R146-M149 PolarHBondContact O-N 3.29Å; R146-S150 PolarHBondContact O-N 3.26Å
147A95.9Very high91.6Very high22 Ų2278.2 Ų78.218%0.18242%0.423CS..Hα-helixtrans-64.1-44.8176.300000111.7T54 S143 F144 Y145 S150T54-A147 WeakPolarHBondContact O-CB 3.42Å; S143-A147 PolarHBondContact O-N 3.47Å; S143-A147 VanDerWaalsContact O-N 3.09Å; F144-A147 HydrophobicContact CD2-CB 4.42Å; F144-A147 CarbonylContact O-C 3.6Å; F144-A147 WeakPolarHBondContact O-CA 3.39Å; F144-A147 WeakPolarHBondContact O-CB 3.33Å; F144-A147 PolarHBondContact O-N 3.37Å; F144-A147 VanDerWaalsContact O-N 3.09Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.35Å; A147-S150 WeakPolarHBondContact O-CB 3.32Å; A147-S150 PolarHBondContact O-N 2.95Å
148L95.7Very high90.7Very high0 Ų079.3 Ų79.30%043%0.433CS..Hα-helixtrans-63.6-42.2174.9-68166.5000111.5V13 K15 F55 F137 P140 F144 Y145 S150V13-L148 HydrophobicContact CB-CD1 4.15Å; V13-L148 HydrophobicContact CG1-CB 4Å; V13-L148 HydrophobicContact CG1-CD1 4.25Å; V13-L148 HydrophobicContact CG2-CD1 4.44Å; K15-L148 WeakPolarHBondContact CE-O 3.48Å; K15-L148 HydrophobicContact CG-CD2 3.95Å; K15-L148 PolarHBondContact NZ-O 2.88Å; F55-L148 HydrophobicContact CB-CD2 3.76Å; F55-L148 HydrophobicContact CB-CG 4.38Å; F55-L148 HydrophobicContact CD1-CD2 4.2Å; F55-L148 HydrophobicContact CD2-CD2 4.06Å; F55-L148 HydrophobicContact CG-CD2 3.76Å; F137-L148 HydrophobicContact CB-CD1 3.99Å; F137-L148 HydrophobicContact CD2-CD1 3.89Å; F137-L148 HydrophobicContact CD2-CD2 3.63Å; F137-L148 HydrophobicContact CD2-CG 4.44Å; F137-L148 HydrophobicContact CE2-CD2 3.5Å; F137-L148 VanDerWaalsContact CE2-CD2 3.5Å; F137-L148 HydrophobicContact CG-CD1 3.92Å; F137-L148 HydrophobicContact CG-CD2 4.31Å; F137-L148 HydrophobicContact CZ-CD2 4.08Å; P140-L148 HydrophobicContact CB-CD1 3.97Å; P140-L148 HydrophobicContact CG-CD1 4.1Å; F144-L148 HydrophobicContact CD1-CD1 3.74Å; F144-L148 HydrophobicContact CD1-CG 4.26Å; F144-L148 HydrophobicContact CE1-CD1 3.72Å; F144-L148 HydrophobicContact CE1-CD2 4.22Å; F144-L148 HydrophobicContact CE1-CG 4.1Å; F144-L148 HydrophobicContact CE2-CD2 4.47Å; F144-L148 HydrophobicContact CE2-CG 4.41Å; F144-L148 HydrophobicContact CG-CD1 4.32Å; F144-L148 HydrophobicContact CG-CG 4.48Å; F144-L148 HydrophobicContact CZ-CD1 4.29Å; F144-L148 HydrophobicContact CZ-CD2 3.99Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CB 3.45Å; F144-L148 VanDerWaalsContact O-CG 3.28Å; F144-L148 WeakPolarHBondContact O-CG 3.34Å; F144-L148 PolarHBondContact O-N 3.21Å; Y145-L148 PolarHBondContact O-N 3.37Å; L148-S150 PolarHBondContact O-N 3.08Å
149M94.6Very high89.8Confident99 Ų9981.1 Ų81.149%0.48845%0.447SS..THydrogen-bonded Turntrans-81.20.6-179.2-62-57.8-76.700113.6V13 Y145 R146 R151V13-M149 HydrophobicContact CG1-SD 4.15Å; V13-M149 HydrophobicContact CG2-SD 4.43Å; Y145-M149 HydrophobicContact CD1-CG 4.17Å; Y145-M149 HydrophobicContact CD2-CG 4.18Å; Y145-M149 HydrophobicContact CE1-CG 3.79Å; Y145-M149 HydrophobicContact CE2-CG 3.78Å; Y145-M149 HydrophobicContact CE2-SD 4.26Å; Y145-M149 HydrophobicContact CG-CG 4.36Å; Y145-M149 WeakPolarHBondContact O-CB 3.17Å; Y145-M149 VanDerWaalsContact O-CG 3.24Å; Y145-M149 WeakPolarHBondContact O-CG 3.17Å; Y145-M149 PolarHBondContact O-N 3.44Å; R146-M149 PolarHBondContact O-N 3.29Å; M149-R151 PolarHBondContact O-N 3.46Å
150S92.7Very high89Confident45 Ų4580.9 Ų80.932%0.31545%0.449SS..  trans-57.3131.4175.4-176.70000110.4R146 A147 L148 S152R146-S150 PolarHBondContact O-N 3.26Å; A147-S150 WeakPolarHBondContact O-CB 3.32Å; A147-S150 PolarHBondContact O-N 2.95Å; L148-S150 PolarHBondContact O-N 3.08Å; S150-S152 PolarHBondContact O-N 3.07Å; S150-S152 WeakPolarHBondContact OG-CB 3.41Å; S150-S152 PolarHBondContact OG-N 2.93Å
151R88.2Confident88.4Confident235 Ų23583.9 Ų83.989%0.88746%0.463SS*.  trans-91.723172-62.9-176.6178.5179.2-0.7111.8M149 Q153M149-R151 PolarHBondContact O-N 3.46Å; R151-Q153 PolarHBondContact O-N 3.46Å
152S88.4Confident88.2Confident48 Ų4885.5 Ų85.534%0.33648%0.478SS..  trans-58127.4174.9-165.20000109.2D51 T54 S150D51-S152 PolarHBondContact N-O 3.3Å; T54-S152 VanDerWaalsContact CG2-CB 3.4Å; S150-S152 PolarHBondContact O-N 3.07Å; S150-S152 WeakPolarHBondContact OG-CB 3.41Å; S150-S152 PolarHBondContact OG-N 2.93Å
153Q87Confident88.2Confident132 Ų13282.6 Ų82.662%0.61746%0.456SS*.BIsolated β-bridgetrans-111.6150.2175.1-70.1179.9-6.500109.1S49 R151S49-Q153 CarbonylContact O-C 3.51Å; S49-Q153 WeakPolarHBondContact O-CA 3.26Å; S49-Q153 WeakPolarHBondContact O-CB 3.14Å; R151-Q153 PolarHBondContact O-N 3.46Å
154I85.6Confident88.2Confident49 Ų4986 Ų8625%0.25146%0.464SS..  trans-59.9140170.2-60175.3000108.1S49 D51 A158S49-I154 PolarHBondContact O-N 2.87Å; D51-I154 HydrophobicContact CB-CG1 4.1Å; I154-A158 HydrophobicContact CG2-CB 3.31Å
155P83.9Confident88Confident77 Ų7788 Ų8850%0.548%0.476SS..  trans-53.1142.7177.9-26.834.3000111.9S157 A158P155-S157 PolarHBondContact O-N 3.48Å; P155-A158 WeakPolarHBondContact O-CB 3.41Å; P155-A158 PolarHBondContact O-N 3.36Å
156P78Confident88Confident141 Ų14188.1 Ų88.192%0.91648%0.483SS*.THydrogen-bonded Turntrans-58.3-21.9179.4-24.933.2000114.4A158P156-A158 VanDerWaalsContact C-N 3.34Å
157S81.2Confident87.9Confident113 Ų11380.6 Ų80.679%0.7946%0.455SS*.THydrogen-bonded Turntrans-80-13.1176.5550000113.9P155P155-S157 PolarHBondContact O-N 3.48Å
158A78Confident87.9Confident30 Ų3087 Ų8725%0.24848%0.479CS..SBendtrans-81.1140.4-179.200000110.5I154 P155 P156 T160I154-A158 HydrophobicContact CG2-CB 3.31Å; P155-A158 WeakPolarHBondContact O-CB 3.41Å; P155-A158 PolarHBondContact O-N 3.36Å; P156-A158 VanDerWaalsContact C-N 3.34Å; A158-T160 PolarHBondContact O-N 3.01Å; A158-T160 VanDerWaalsContact O-N 3.15Å
159P76.7Confident87.9Confident123 Ų12389.7 Ų89.780%0.79949%0.491SS*.PPolyproline II helixtrans-61.2121.1178.123.7-31.5000110.1
160T77.9Confident87.9Confident81 Ų8188.4 Ų88.450%0.49749%0.489SS..PPolyproline II helixtrans-97.9117.7174.6-58.10000108.3T48 A158T48-T160 HydrophobicContact CG2-CG2 4.34Å; T48-T160 VanDerWaalsContact OG1-CG2 3.29Å; T48-T160 WeakPolarHBondContact OG1-CG2 3.3Å; A158-T160 PolarHBondContact O-N 3.01Å; A158-T160 VanDerWaalsContact O-N 3.15Å
161I82.6Confident88Confident78 Ų7893 Ų9340%0.450%0.503SS..PPolyproline II helixtrans-89.7116.2178.3-55.2173.6000107.7
162A89.5Confident88.4Confident70 Ų7088.4 Ų88.458%0.57949%0.486SS*.PPolyproline II helixtrans-68.9147.4171.900000110.3
163H93.6Very high88.8Confident36 Ų3691.2 Ų91.217%0.16749%0.494CS..PPolyproline II helixtrans-76.2133170.1-53.1-59000108.9P45 Y46 T165 F167P45-H163 PolarHBondContact O-CE1 3.35Å; P45-H163 PolarHBondContact O-NE2 3.04Å; P45-H163 VanDerWaalsContact O-NE2 3.07Å; Y46-H163 PolarHBondContact O-NE2 2.87Å; H163-T165 VanDerWaalsContact C-N 3.3Å; H163-F167 HydrophobicContact CB-CD2 4.29Å; H163-F167 HydrophobicContact CB-CE2 3.73Å; H163-F167 AromaticContact CG-CE2 3.85Å
164E93.6Very high89.2Confident152 Ų15287.1 Ų87.171%0.7148%0.482SS*.SBendtrans-77.7-23.9178.6-64.6-75.4-164.100111.2V128 E130V128-E164 HydrophobicContact CB-CB 4.43Å; V128-E164 HydrophobicContact CG1-CB 4Å; V128-E164 HydrophobicContact CG1-CG 4.26Å; V128-E164 HydrophobicContact CG2-CB 4.47Å; V128-E164 HydrophobicContact CG2-CG 4.2Å; E130-E164 PolarHBondContact OE1-N 3.49Å; E130-E164 PolarHBondContact OE2-N 3.35Å; E130-E164 VanDerWaalsContact OE2-N 3.12Å
165T94.2Very high89.8Confident43 Ų4388.8 Ų88.826%0.26449%0.492SS..SBendtrans-83121.7176-50.20000110.5E130 H163 F167E130-T165 WeakPolarHBondContact OE2-CB 3.48Å; E130-T165 PolarHBondContact OE2-N 3.33Å; E130-T165 PolarHBondContact OE2-OG1 3.37Å; H163-T165 VanDerWaalsContact C-N 3.3Å; T165-F167 VanDerWaalsContact C-N 3.32Å; T165-F167 HydrophobicContact CG2-CD1 3.92Å; T165-F167 HydrophobicContact CG2-CE1 3.76Å; T165-F167 HydrophobicContact CG2-CG 4.46Å; T165-F167 HydrophobicContact CG2-CZ 4.19Å; T165-F167 WeakPolarHBondContact O-CD2 3.35Å; T165-F167 PolarHBondContact O-N 3.48Å
166D94.5Very high90.4Very high95 Ų9588.3 Ų88.351%0.50849%0.489SS..  trans-74.288.5167.3-170.7-18.3000110.1K168 E169 T170D166-K168 PolarHBondContact O-N 2.9Å; D166-K168 WeakPolarHBondContact OD1-CB 3.42Å; D166-K168 PolarHBondContact OD1-N 3.37Å; D166-E169 HydrophobicContact CB-CB 4Å; D166-E169 VanDerWaalsContact CG-CB 3.44Å; D166-E169 PolarHBondContact O-N 2.97Å; D166-E169 PolarHBondContact OD1-N 2.93Å; D166-T170 WeakPolarHBondContact O-CB 3.41Å; D166-T170 PolarHBondContact O-N 3.46Å; D166-T170 PolarHBondContact O-OG1 3.35Å
167F95Very high91.4Very high23 Ų2384.4 Ų84.410%0.10147%0.465CS..Hα-helixtrans-65.3-26.6178-65.7-66000113.4V18 Y46 E130 H163 T165 K171V18-F167 HydrophobicContact CB-CE2 4.41Å; V18-F167 HydrophobicContact CB-CZ 4.42Å; V18-F167 HydrophobicContact CG1-CE2 3.92Å; V18-F167 HydrophobicContact CG1-CZ 3.65Å; V18-F167 HydrophobicContact CG2-CD2 4.3Å; V18-F167 HydrophobicContact CG2-CE2 3.55Å; V18-F167 HydrophobicContact CG2-CZ 3.84Å; Y46-F167 HydrophobicContact CD2-CD2 4.16Å; Y46-F167 HydrophobicContact CE2-CB 3.87Å; Y46-F167 AromaticContact CE2-CD2 3.86Å; Y46-F167 HydrophobicContact CE2-CD2 3.86Å; Y46-F167 HydrophobicContact CE2-CG 4.16Å; E130-F167 HydrophobicContact CB-CE1 4.46Å; E130-F167 HydrophobicContact CB-CZ 3.75Å; H163-F167 HydrophobicContact CB-CD2 4.29Å; H163-F167 HydrophobicContact CB-CE2 3.73Å; H163-F167 AromaticContact CG-CE2 3.85Å; T165-F167 VanDerWaalsContact C-N 3.32Å; T165-F167 HydrophobicContact CG2-CD1 3.92Å; T165-F167 HydrophobicContact CG2-CE1 3.76Å; T165-F167 HydrophobicContact CG2-CG 4.46Å; T165-F167 HydrophobicContact CG2-CZ 4.19Å; T165-F167 WeakPolarHBondContact O-CD2 3.35Å; T165-F167 PolarHBondContact O-N 3.48Å; F167-K171 WeakPolarHBondContact O-CB 2.88Å; F167-K171 PolarHBondContact O-N 2.93Å
168K94.2Very high92.2Very high156 Ų15683.3 Ų83.368%0.67845%0.45SS*.Hα-helixtrans-69.4-46.8178-65.6179.1-178.2173.10109.6D166 K171 R172D166-K168 PolarHBondContact O-N 2.9Å; D166-K168 WeakPolarHBondContact OD1-CB 3.42Å; D166-K168 PolarHBondContact OD1-N 3.37Å; K168-K171 PolarHBondContact O-N 3.44Å; K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 2.97Å
169E95.9Very high93.1Very high58 Ų5888.2 Ų88.227%0.27147%0.467SS..Hα-helixtrans-65.6-45.6176.3177.757.1-167.400111.4D166 K171 R172 Q173D166-E169 HydrophobicContact CB-CB 4Å; D166-E169 VanDerWaalsContact CG-CB 3.44Å; D166-E169 PolarHBondContact O-N 2.97Å; D166-E169 PolarHBondContact OD1-N 2.93Å; E169-K171 VanDerWaalsContact C-N 3.32Å; E169-K171 PolarHBondContact O-N 3.25Å; E169-R172 VanDerWaalsContact CD-NH2 3.27Å; E169-R172 WeakPolarHBondContact O-CB 3.49Å; E169-R172 PolarHBondContact O-N 2.9Å; E169-R172 VanDerWaalsContact O-N 3.1Å; E169-R172 IonicContact OE1-CZ 2.76Å; E169-R172 IonicContact OE1-NE 3.25Å; E169-R172 IonicContact OE1-NH2 3.19Å; E169-R172 PolarHBondContact OE1-NH2 3.4Å; E169-R172 IonicContact OE2-CZ 3.44Å; E169-R172 IonicContact OE2-NE 2.73Å; E169-R172 PolarHBondContact OE2-NE 2.78Å; E169-R172 IonicContact OE2-NH2 3.47Å; E169-R172 PolarHBondContact OE2-NH2 3.37Å; E169-R172 VanDerWaalsContact OE2-NH2 3.12Å; E169-Q173 HydrophobicContact CG-CG 4.44Å; E169-Q173 WeakPolarHBondContact O-CG 3.42Å; E169-Q173 PolarHBondContact O-N 2.9Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.43Å; E169-Q173 PolarHBondContact OE1-NE2 3.07Å
170T94.3Very high94.1Very high71 Ų7187.2 Ų87.244%0.43645%0.452SS..Hα-helixtrans-57-45.9176.9-56.80000111.3D166 R172 Q173 A174D166-T170 WeakPolarHBondContact O-CB 3.41Å; D166-T170 PolarHBondContact O-N 3.46Å; D166-T170 PolarHBondContact O-OG1 3.35Å; T170-R172 PolarHBondContact O-N 3.35Å; T170-Q173 PolarHBondContact O-N 2.93Å; T170-A174 WeakPolarHBondContact O-CB 3.44Å; T170-A174 PolarHBondContact O-N 2.99Å
171K95.7Very high95Very high141 Ų14187.8 Ų87.861%0.61345%0.451SS*.Hα-helixtrans-60.8-44.8175.5179.7176.2-177.8170.80111.7F167 K168 E169 A174 L175F167-K171 WeakPolarHBondContact O-CB 2.88Å; F167-K171 PolarHBondContact O-N 2.93Å; K168-K171 PolarHBondContact O-N 3.44Å; E169-K171 VanDerWaalsContact C-N 3.32Å; E169-K171 PolarHBondContact O-N 3.25Å; K171-A174 PolarHBondContact O-N 3.21Å; K171-L175 HydrophobicContact CG-CD1 4.02Å; K171-L175 HydrophobicContact CG-CG 4.48Å; K171-L175 WeakPolarHBondContact O-CB 3.35Å; K171-L175 VanDerWaalsContact O-CG 3.31Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 2.98Å
172R97.1Very high95.8Very high140 Ų14088.5 Ų88.553%0.52846%0.456SS..Hα-helixtrans-61.4-46.5179.6-171.6-167.767.874.8-2.4111.5K168 E169 T170 L175 C176K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 2.97Å; E169-R172 VanDerWaalsContact CD-NH2 3.27Å; E169-R172 WeakPolarHBondContact O-CB 3.49Å; E169-R172 PolarHBondContact O-N 2.9Å; E169-R172 VanDerWaalsContact O-N 3.1Å; E169-R172 IonicContact OE1-CZ 2.76Å; E169-R172 IonicContact OE1-NE 3.25Å; E169-R172 IonicContact OE1-NH2 3.19Å; E169-R172 PolarHBondContact OE1-NH2 3.4Å; E169-R172 IonicContact OE2-CZ 3.44Å; E169-R172 IonicContact OE2-NE 2.73Å; E169-R172 PolarHBondContact OE2-NE 2.78Å; E169-R172 IonicContact OE2-NH2 3.47Å; E169-R172 PolarHBondContact OE2-NH2 3.37Å; E169-R172 VanDerWaalsContact OE2-NH2 3.12Å; T170-R172 PolarHBondContact O-N 3.35Å; R172-L175 PolarHBondContact O-N 3.49Å; R172-C176 WeakPolarHBondContact O-CB 3.47Å; R172-C176 PolarHBondContact O-N 3.02Å
173Q97.2Very high96.2Very high106 Ų10691.6 Ų91.650%0.49546%0.456SS..Hα-helixtrans-62.9-46.3177.9-69.8178.3-3.400111.6E169 T170 L175 C176 S177E169-Q173 HydrophobicContact CG-CG 4.44Å; E169-Q173 WeakPolarHBondContact O-CG 3.42Å; E169-Q173 PolarHBondContact O-N 2.9Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.43Å; E169-Q173 PolarHBondContact OE1-NE2 3.07Å; T170-Q173 PolarHBondContact O-N 2.93Å; Q173-L175 PolarHBondContact O-N 2.83Å; Q173-C176 PolarHBondContact O-N 3.42Å; Q173-S177 WeakPolarHBondContact O-CB 3.32Å; Q173-S177 PolarHBondContact O-N 3.12Å
174A95.5Very high96.4Very high46 Ų4695.1 Ų95.138%0.3847%0.471SS..Hα-helixtrans-59.9-46.2177.600000111.9T170 K171 C176 S177 I178T170-A174 WeakPolarHBondContact O-CB 3.44Å; T170-A174 PolarHBondContact O-N 2.99Å; K171-A174 PolarHBondContact O-N 3.21Å; A174-C176 PolarHBondContact O-N 2.82Å; A174-S177 PolarHBondContact O-N 3.03Å; A174-I178 VanDerWaalsContact O-CG1 3.27Å; A174-I178 WeakPolarHBondContact O-CG1 3.28Å; A174-I178 PolarHBondContact O-N 3.15Å
175L97.2Very high96.6Very high85 Ų8591.6 Ų91.645%0.44546%0.46SS..Hα-helixtrans-61.8-44.4177.4-74.7172.9000112.2K171 R172 Q173 S177 I178 Q179K171-L175 HydrophobicContact CG-CD1 4.02Å; K171-L175 HydrophobicContact CG-CG 4.48Å; K171-L175 WeakPolarHBondContact O-CB 3.35Å; K171-L175 VanDerWaalsContact O-CG 3.31Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 2.98Å; R172-L175 PolarHBondContact O-N 3.49Å; Q173-L175 PolarHBondContact O-N 2.83Å; L175-S177 VanDerWaalsContact C-N 3.35Å; L175-S177 PolarHBondContact O-N 2.86Å; L175-I178 PolarHBondContact O-N 2.84Å; L175-Q179 WeakPolarHBondContact O-CB 3.44Å; L175-Q179 VanDerWaalsContact O-CG 3.25Å; L175-Q179 WeakPolarHBondContact O-CG 3.39Å; L175-Q179 PolarHBondContact O-N 2.62Å
176C97.2Very high96.7Very high67 Ų6793.1 Ų93.145%0.45347%0.469SS..Hα-helixtrans-59.2-47.3176.6-170.40000111.1R172 Q173 A174 I178 Q179 E180R172-C176 WeakPolarHBondContact O-CB 3.47Å; R172-C176 PolarHBondContact O-N 3.02Å; Q173-C176 PolarHBondContact O-N 3.42Å; A174-C176 PolarHBondContact O-N 2.82Å; C176-I178 PolarHBondContact O-N 2.78Å; C176-Q179 PolarHBondContact O-N 3.45Å; C176-E180 PolarHBondContact O-N 3.27Å
177S97.6Very high96.9Very high58 Ų5893.2 Ų93.241%0.40647%0.467SS..Hα-helixtrans-61.8-43.4178.2-178.70000112.4Q173 A174 L175 E180 L181Q173-S177 WeakPolarHBondContact O-CB 3.32Å; Q173-S177 PolarHBondContact O-N 3.12Å; A174-S177 PolarHBondContact O-N 3.03Å; L175-S177 VanDerWaalsContact C-N 3.35Å; L175-S177 PolarHBondContact O-N 2.86Å; S177-E180 PolarHBondContact O-N 2.95Å; S177-L181 WeakPolarHBondContact O-CB 3.25Å; S177-L181 VanDerWaalsContact O-CG 3.32Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.1Å
178I97.9Very high97Very high91 Ų9194.1 Ų94.147%0.46748%0.478SS..Hα-helixtrans-63-43.6177.6-71165.2000110.5A174 L175 C176 L181 N182A174-I178 VanDerWaalsContact O-CG1 3.27Å; A174-I178 WeakPolarHBondContact O-CG1 3.28Å; A174-I178 PolarHBondContact O-N 3.15Å; L175-I178 PolarHBondContact O-N 2.84Å; C176-I178 PolarHBondContact O-N 2.78Å; I178-L181 PolarHBondContact O-N 3.17Å; I178-N182 VanDerWaalsContact O-CB 3.28Å; I178-N182 WeakPolarHBondContact O-CB 3.44Å; I178-N182 VanDerWaalsContact O-CG 3.25Å; I178-N182 PolarHBondContact O-N 3.34Å; I178-N182 PolarHBondContact O-ND2 3.12Å
179Q97.8Very high97.2Very high133 Ų13390.4 Ų90.462%0.62147%0.465SS*.Hα-helixtrans-62.6-44.4178.4-74.3171.8-18.300111.8L175 C176 N182 K183L175-Q179 WeakPolarHBondContact O-CB 3.44Å; L175-Q179 VanDerWaalsContact O-CG 3.25Å; L175-Q179 WeakPolarHBondContact O-CG 3.39Å; L175-Q179 PolarHBondContact O-N 2.62Å; C176-Q179 PolarHBondContact O-N 3.45Å; Q179-N182 PolarHBondContact O-N 3.25Å; Q179-K183 PolarHBondContact O-N 3.05Å
180E97.6Very high97.3Very high102 Ų10292.6 Ų92.648%0.47748%0.475SS..Hα-helixtrans-62.8-45.6177.3-169.1-169161.200111.7C176 S177 K183 K184C176-E180 PolarHBondContact O-N 3.27Å; S177-E180 PolarHBondContact O-N 2.95Å; E180-K183 WeakPolarHBondContact O-CB 3.19Å; E180-K183 PolarHBondContact O-N 3.2Å; E180-K184 WeakPolarHBondContact O-CG 3.29Å; E180-K184 PolarHBondContact O-N 3.02Å; E180-K184 VanDerWaalsContact O-N 3.1Å; E180-K184 VanDerWaalsContact OE1-CE 3.26Å; E180-K184 WeakPolarHBondContact OE1-CE 3.44Å; E180-K184 IonicContact OE1-NZ 2.61Å; E180-K184 PolarHBondContact OE1-NZ 3.49Å
181L97.8Very high97.4Very high92 Ų9292.7 Ų92.748%0.48248%0.476SS..Hα-helixtrans-65.2-43.7178.1-72.5171.8000111.8S177 I178 K183 K184 V185S177-L181 WeakPolarHBondContact O-CB 3.25Å; S177-L181 VanDerWaalsContact O-CG 3.32Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.1Å; I178-L181 PolarHBondContact O-N 3.17Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.36Å; L181-K184 PolarHBondContact O-N 3.47Å; L181-V185 WeakPolarHBondContact O-CG2 3.46Å; L181-V185 PolarHBondContact O-N 3.33Å
182N98Very high97.5Very high94 Ų9493 Ų9350%0.50347%0.474SS..Hα-helixtrans-60.2-38.2176.5-79.4-16.4000111.8I178 Q179 T186I178-N182 VanDerWaalsContact O-CB 3.28Å; I178-N182 WeakPolarHBondContact O-CB 3.44Å; I178-N182 VanDerWaalsContact O-CG 3.25Å; I178-N182 PolarHBondContact O-N 3.34Å; I178-N182 PolarHBondContact O-ND2 3.12Å; Q179-N182 PolarHBondContact O-N 3.25Å; N182-T186 WeakPolarHBondContact O-CB 3.32Å; N182-T186 PolarHBondContact O-N 3.29Å; N182-T186 PolarHBondContact O-OG1 3.47Å
183K97.9Very high97.5Very high134 Ų13492.6 Ų92.658%0.58348%0.476SS*.Hα-helixtrans-61.3-51.9173.8-179.3179.4172.7-179.40111.3Q179 E180 L181 V185 T186 E187Q179-K183 PolarHBondContact O-N 3.05Å; E180-K183 WeakPolarHBondContact O-CB 3.19Å; E180-K183 PolarHBondContact O-N 3.2Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.36Å; K183-V185 VanDerWaalsContact C-N 3.31Å; K183-V185 PolarHBondContact O-N 3.42Å; K183-T186 PolarHBondContact O-N 2.96Å; K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 WeakPolarHBondContact CG-OE1 3.28Å; K183-E187 IonicContact NZ-OE1 2.9Å; K183-E187 WeakPolarHBondContact O-CG 3.5Å; K183-E187 PolarHBondContact O-N 3.02Å
184K97.5Very high97.5Very high110 Ų11094.5 Ų94.548%0.47848%0.483SS..Hα-helixtrans-57.6-43.2178.2-70.1174.8-175.1168.10112.2E180 L181 A188E180-K184 WeakPolarHBondContact O-CG 3.29Å; E180-K184 PolarHBondContact O-N 3.02Å; E180-K184 VanDerWaalsContact O-N 3.1Å; E180-K184 VanDerWaalsContact OE1-CE 3.26Å; E180-K184 WeakPolarHBondContact OE1-CE 3.44Å; E180-K184 IonicContact OE1-NZ 2.61Å; E180-K184 PolarHBondContact OE1-NZ 3.49Å; L181-K184 PolarHBondContact O-N 3.47Å; K184-A188 WeakPolarHBondContact O-CB 3.4Å; K184-A188 PolarHBondContact O-N 3.47Å
185V98Very high97.6Very high78 Ų7896.1 Ų96.147%0.47348%0.483SS..Hα-helixtrans-64.7-44.2177.9170.80000110.9L181 K183 A188 I189L181-V185 WeakPolarHBondContact O-CG2 3.46Å; L181-V185 PolarHBondContact O-N 3.33Å; K183-V185 VanDerWaalsContact C-N 3.31Å; K183-V185 PolarHBondContact O-N 3.42Å; V185-A188 PolarHBondContact O-N 2.88Å; V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 VanDerWaalsContact O-CG1 3.26Å; V185-I189 WeakPolarHBondContact O-CG1 3.44Å; V185-I189 PolarHBondContact O-N 3.1Å
186T97.8Very high97.5Very high75 Ų7597 Ų9746%0.4649%0.487SS..Hα-helixtrans-62.6-46.3179.4-57.20000111.2N182 K183 A188 I189 E190N182-T186 WeakPolarHBondContact O-CB 3.32Å; N182-T186 PolarHBondContact O-N 3.29Å; N182-T186 PolarHBondContact O-OG1 3.47Å; K183-T186 PolarHBondContact O-N 2.96Å; T186-A188 PolarHBondContact O-N 3.44Å; T186-I189 PolarHBondContact O-N 3.36Å; T186-E190 WeakPolarHBondContact O-CG 3.24Å; T186-E190 PolarHBondContact O-N 3.05Å
187E97.8Very high97.5Very high97 Ų9799.8 Ų99.845%0.45350%0.496SS..Hα-helixtrans-60.2-44176.6-71.6171.2-179.300111.8K183 E190 V191K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 WeakPolarHBondContact CG-OE1 3.28Å; K183-E187 IonicContact NZ-OE1 2.9Å; K183-E187 WeakPolarHBondContact O-CG 3.5Å; K183-E187 PolarHBondContact O-N 3.02Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-V191 WeakPolarHBondContact O-CG2 3.46Å; E187-V191 PolarHBondContact O-N 3.01Å
188A97.4Very high97.4Very high42 Ų42100.5 Ų100.535%0.34750%0.501SS..Hα-helixtrans-62.6-44.1176.400000112K184 V185 T186 E190 V191 Y192K184-A188 WeakPolarHBondContact O-CB 3.4Å; K184-A188 PolarHBondContact O-N 3.47Å; V185-A188 PolarHBondContact O-N 2.88Å; T186-A188 PolarHBondContact O-N 3.44Å; A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 2.74Å; A188-V191 PolarHBondContact O-N 2.71Å; A188-Y192 HydrophobicContact CB-CE2 4.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.39Å; A188-Y192 PolarHBondContact O-N 2.96Å
189I98Very high97.3Very high79 Ų79103.6 Ų103.641%0.40551%0.507SS..Hα-helixtrans-58-41.8176.1-72.4167.8000110.7V185 T186 Y192 K193V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 VanDerWaalsContact O-CG1 3.26Å; V185-I189 WeakPolarHBondContact O-CG1 3.44Å; V185-I189 PolarHBondContact O-N 3.1Å; T186-I189 PolarHBondContact O-N 3.36Å; I189-Y192 PolarHBondContact O-N 2.96Å; I189-K193 HydrophobicContact CG2-CD 3.98Å; I189-K193 HydrophobicContact CG2-CG 4.37Å; I189-K193 WeakPolarHBondContact O-CB 3.38Å; I189-K193 VanDerWaalsContact O-CG 3.28Å; I189-K193 WeakPolarHBondContact O-CG 3.27Å; I189-K193 PolarHBondContact O-N 3.49Å
190E97.6Very high97.2Very high103 Ų103103.6 Ų103.648%0.48151%0.505SS..Hα-helixtrans-64.8-43.6177.7-73.2-179-174.500112.7T186 E187 A188 K193 K194T186-E190 WeakPolarHBondContact O-CG 3.24Å; T186-E190 PolarHBondContact O-N 3.05Å; E187-E190 PolarHBondContact O-N 3.49Å; A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 2.74Å; E190-K193 PolarHBondContact O-N 2.93Å; E190-K194 WeakPolarHBondContact O-CG 3.4Å; E190-K194 PolarHBondContact O-N 2.94Å
191V97.3Very high97.1Very high74 Ų74100.3 Ų100.345%0.44850%0.499SS..Hα-helixtrans-59.8-47.7175.6171.90000110.6E187 A188 K193 K194 Q195E187-V191 WeakPolarHBondContact O-CG2 3.46Å; E187-V191 PolarHBondContact O-N 3.01Å; A188-V191 PolarHBondContact O-N 2.71Å; V191-K193 PolarHBondContact O-N 2.92Å; V191-K194 PolarHBondContact O-N 2.85Å; V191-Q195 WeakPolarHBondContact O-CG 3.17Å; V191-Q195 PolarHBondContact O-N 3.46Å
192Y97.4Very high97Very high147 Ų147100.2 Ų100.258%0.57650%0.498SS*.Hα-helixtrans-66.6-37.1179.3-70.9-56.7000112.9A188 I189 K194 Q195 L196A188-Y192 HydrophobicContact CB-CE2 4.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.39Å; A188-Y192 PolarHBondContact O-N 2.96Å; I189-Y192 PolarHBondContact O-N 2.96Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 3.01Å; Y192-Q195 PolarHBondContact O-N 3Å; Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 WeakPolarHBondContact O-CG 3.26Å; Y192-L196 PolarHBondContact O-N 3Å
193K97.6Very high96.9Very high131 Ų131100 Ų10057%0.5750%0.496SS*.Hα-helixtrans-59.4-44.9173.3-79.8175.9177.9177.50111.5I189 E190 V191 L196 I197I189-K193 HydrophobicContact CG2-CD 3.98Å; I189-K193 HydrophobicContact CG2-CG 4.37Å; I189-K193 WeakPolarHBondContact O-CB 3.38Å; I189-K193 VanDerWaalsContact O-CG 3.28Å; I189-K193 WeakPolarHBondContact O-CG 3.27Å; I189-K193 PolarHBondContact O-N 3.49Å; E190-K193 PolarHBondContact O-N 2.93Å; V191-K193 PolarHBondContact O-N 2.92Å; K193-L196 PolarHBondContact O-N 3.07Å; K193-I197 WeakPolarHBondContact O-CG1 3.37Å; K193-I197 PolarHBondContact O-N 3.15Å
194K96.9Very high96.8Very high147 Ų147100.1 Ų100.164%0.63950%0.498SS*.Hα-helixtrans-62.3-44.5176.6-71.4174.7-177.8173.70111.9E190 V191 Y192 L196 I197 S198E190-K194 WeakPolarHBondContact O-CG 3.4Å; E190-K194 PolarHBondContact O-N 2.94Å; V191-K194 PolarHBondContact O-N 2.85Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 3.01Å; K194-L196 PolarHBondContact O-N 3.42Å; K194-I197 PolarHBondContact O-N 2.59Å; K194-S198 PolarHBondContact O-N 2.81Å
195Q96.5Very high96.7Very high80 Ų80100.8 Ų100.837%0.37450%0.503SS..Hα-helixtrans-63.2-40.5176.6-70.3177.64.700112.4V191 Y192 S198 R199V191-Q195 WeakPolarHBondContact O-CG 3.17Å; V191-Q195 PolarHBondContact O-N 3.46Å; Y192-Q195 PolarHBondContact O-N 3Å; Q195-S198 PolarHBondContact O-N 3.13Å; Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 VanDerWaalsContact O-CG 3.31Å; Q195-R199 WeakPolarHBondContact O-CG 3.48Å; Q195-R199 PolarHBondContact O-N 3.42Å
196L96.7Very high96.5Very high102 Ų102100.9 Ų100.953%0.53450%0.504SS..Hα-helixtrans-64-41.5176.8-77.3172.6000112.1Y192 K193 K194 R199 K200Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 WeakPolarHBondContact O-CG 3.26Å; Y192-L196 PolarHBondContact O-N 3Å; K193-L196 PolarHBondContact O-N 3.07Å; K194-L196 PolarHBondContact O-N 3.42Å; L196-R199 PolarHBondContact O-N 2.89Å; L196-K200 WeakPolarHBondContact O-CB 3.41Å; L196-K200 VanDerWaalsContact O-CG 3.32Å; L196-K200 WeakPolarHBondContact O-CG 2.87Å; L196-K200 PolarHBondContact O-N 2.66Å
197I96.5Very high96.4Very high126 Ų126103.7 Ų103.765%0.64651%0.51SS*.Hα-helixtrans-61.9-47.3175.3-68.8163.3000110.1K193 K194 R199 K200 G201K193-I197 WeakPolarHBondContact O-CG1 3.37Å; K193-I197 PolarHBondContact O-N 3.15Å; K194-I197 PolarHBondContact O-N 2.59Å; I197-R199 PolarHBondContact O-N 3.41Å; I197-K200 PolarHBondContact O-N 2.91Å; I197-G201 PolarHBondContact O-N 2.83Å; I197-G201 VanDerWaalsContact O-N 3.07Å
198S95.8Very high96.3Very high73 Ų73101.9 Ų101.951%0.5151%0.508SS..Hα-helixtrans-60.1-46.1177.21720000112.4K194 Q195 K200 G201 I202K194-S198 PolarHBondContact O-N 2.81Å; Q195-S198 PolarHBondContact O-N 3.13Å; S198-K200 PolarHBondContact O-N 2.88Å; S198-G201 PolarHBondContact O-N 3.23Å; S198-I202 WeakPolarHBondContact O-CG1 3.36Å; S198-I202 PolarHBondContact O-N 3.15Å; S198-I202 VanDerWaalsContact O-N 3.08Å
199R95.8Very high96.1Very high156 Ų156104 Ų10459%0.58951%0.512SS*.Hα-helixtrans-64.4-37.4177.8-73177.6-177.6-174.92.1112.6Q195 L196 I197 I202 I203Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 VanDerWaalsContact O-CG 3.31Å; Q195-R199 WeakPolarHBondContact O-CG 3.48Å; Q195-R199 PolarHBondContact O-N 3.42Å; L196-R199 PolarHBondContact O-N 2.89Å; I197-R199 PolarHBondContact O-N 3.41Å; R199-I202 PolarHBondContact O-N 2.98Å; R199-I203 VanDerWaalsContact O-CG1 3.26Å; R199-I203 WeakPolarHBondContact O-CG1 3.36Å; R199-I203 PolarHBondContact O-N 3.26Å
200K95.8Very high95.9Very high133 Ų133103.6 Ų103.658%0.57851%0.513SS*.Hα-helixtrans-61.8-44.7174.4-79-177.8178.2-171.60111.3L196 I197 S198 I202 I203 E204L196-K200 WeakPolarHBondContact O-CB 3.41Å; L196-K200 VanDerWaalsContact O-CG 3.32Å; L196-K200 WeakPolarHBondContact O-CG 2.87Å; L196-K200 PolarHBondContact O-N 2.66Å; I197-K200 PolarHBondContact O-N 2.91Å; S198-K200 PolarHBondContact O-N 2.88Å; K200-I202 VanDerWaalsContact C-N 3.35Å; K200-I202 PolarHBondContact O-N 3.44Å; K200-I203 PolarHBondContact O-N 3.02Å; K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.3Å
201G95.2Very high95.7Very high34 Ų34103.9 Ų103.935%0.35152%0.518SS..Hα-helixtrans-57.9-45.1174.600000112.7I197 S198 I203 E204 E205I197-G201 PolarHBondContact O-N 2.83Å; I197-G201 VanDerWaalsContact O-N 3.07Å; S198-G201 PolarHBondContact O-N 3.23Å; G201-I203 PolarHBondContact O-N 2.92Å; G201-E204 PolarHBondContact O-N 3.44Å; G201-E205 PolarHBondContact O-N 3.13Å
202I95.3Very high95.4Very high89 Ų89106 Ų10646%0.45652%0.523SS..Hα-helixtrans-63.3-41.5176.6-64.3165.7000111.5S198 R199 K200 E204 E205 V206S198-I202 WeakPolarHBondContact O-CG1 3.36Å; S198-I202 PolarHBondContact O-N 3.15Å; S198-I202 VanDerWaalsContact O-N 3.08Å; R199-I202 PolarHBondContact O-N 2.98Å; K200-I202 VanDerWaalsContact C-N 3.35Å; K200-I202 PolarHBondContact O-N 3.44Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 2.96Å; I202-E205 PolarHBondContact O-N 3.47Å; I202-V206 HydrophobicContact CG2-CG2 4.38Å; I202-V206 WeakPolarHBondContact O-CG2 3.15Å; I202-V206 PolarHBondContact O-N 3.01Å
203I95.8Very high95Very high91 Ų91102.7 Ų102.747%0.46752%0.518SS..Hα-helixtrans-63.5-39.3178-72165.8000111.1R199 K200 G201 K207R199-I203 VanDerWaalsContact O-CG1 3.26Å; R199-I203 WeakPolarHBondContact O-CG1 3.36Å; R199-I203 PolarHBondContact O-N 3.26Å; K200-I203 PolarHBondContact O-N 3.02Å; G201-I203 PolarHBondContact O-N 2.92Å; I203-K207 HydrophobicContact CG2-CD 4.12Å; I203-K207 HydrophobicContact CG2-CG 4.48Å; I203-K207 WeakPolarHBondContact O-CB 3.47Å; I203-K207 VanDerWaalsContact O-CG 3.27Å; I203-K207 WeakPolarHBondContact O-CG 3.38Å; I203-K207 PolarHBondContact O-N 2.66Å
204E95.7Very high94.6Very high135 Ų135100.8 Ų100.863%0.63151%0.514SS*.Hα-helixtrans-64.7-42.7176.9-73.5167.1-169.500111.5K200 G201 I202 K207 S208K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.3Å; G201-E204 PolarHBondContact O-N 3.44Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 2.96Å; E204-K207 PolarHBondContact O-N 2.71Å; E204-S208 PolarHBondContact O-N 3.18Å
205E94.8Very high94.1Very high125 Ų12597.8 Ų97.858%0.58451%0.512SS*.Hα-helixtrans-61.7-49175-174.2176.6-167.100111.9G201 I202 K207 S208 I209G201-E205 PolarHBondContact O-N 3.13Å; I202-E205 PolarHBondContact O-N 3.47Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 2.98Å; E205-S208 WeakPolarHBondContact O-CB 3.48Å; E205-S208 PolarHBondContact O-N 3.02Å; E205-S208 VanDerWaalsContact O-N 3.14Å; E205-I209 HydrophobicContact CG-CD1 4.38Å; E205-I209 WeakPolarHBondContact O-CG1 3.28Å; E205-I209 PolarHBondContact O-N 2.96Å; E205-I209 VanDerWaalsContact O-N 3.13Å
206V95.4Very high93.6Very high80 Ų8096.8 Ų96.849%0.48552%0.517SS..Hα-helixtrans-61-40.4177.6171.40000111.5I202 S208 I209 V210I202-V206 HydrophobicContact CG2-CG2 4.38Å; I202-V206 WeakPolarHBondContact O-CG2 3.15Å; I202-V206 PolarHBondContact O-N 3.01Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 2.82Å; V206-I209 PolarHBondContact O-N 2.71Å; V206-V210 HydrophobicContact CG1-CG2 4.4Å; V206-V210 WeakPolarHBondContact O-CG2 3.41Å; V206-V210 PolarHBondContact O-N 2.88Å
207K94.9Very high92.6Very high134 Ų13495 Ų9558%0.58351%0.511SS*.Hα-helixtrans-63.1-37.4176.1-78.6176.6178.2-176.80112.5I203 E204 E205 N211I203-K207 HydrophobicContact CG2-CD 4.12Å; I203-K207 HydrophobicContact CG2-CG 4.48Å; I203-K207 WeakPolarHBondContact O-CB 3.47Å; I203-K207 VanDerWaalsContact O-CG 3.27Å; I203-K207 WeakPolarHBondContact O-CG 3.38Å; I203-K207 PolarHBondContact O-N 2.66Å; E204-K207 PolarHBondContact O-N 2.71Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 2.98Å; K207-N211 VanDerWaalsContact O-CG 3.27Å; K207-N211 PolarHBondContact O-N 3.33Å; K207-N211 VanDerWaalsContact O-N 3.15Å; K207-N211 PolarHBondContact O-ND2 3.28Å
208S94.9Very high91.4Very high58 Ų5893.4 Ų93.441%0.40651%0.507SS..Hα-helixtrans-61.4-47.9174.7-164.80000111.1E204 E205 V206 V210 N211 E212E204-S208 PolarHBondContact O-N 3.18Å; E205-S208 WeakPolarHBondContact O-CB 3.48Å; E205-S208 PolarHBondContact O-N 3.02Å; E205-S208 VanDerWaalsContact O-N 3.14Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 2.82Å; S208-V210 PolarHBondContact O-N 2.88Å; S208-N211 PolarHBondContact O-N 2.81Å; S208-E212 WeakPolarHBondContact O-CG 3.38Å; S208-E212 PolarHBondContact O-N 2.84Å; S208-E212 VanDerWaalsContact O-N 3.08Å
209I94.1Very high90Very high87 Ų8792.1 Ų92.145%0.44650%0.504SS..Hα-helixtrans-63.2-42.3-179.6-63.5168.1000111.3E205 V206 N211 E212 V213E205-I209 HydrophobicContact CG-CD1 4.38Å; E205-I209 WeakPolarHBondContact O-CG1 3.28Å; E205-I209 PolarHBondContact O-N 2.96Å; E205-I209 VanDerWaalsContact O-N 3.13Å; V206-I209 PolarHBondContact O-N 2.71Å; I209-N211 PolarHBondContact O-N 3.27Å; I209-E212 WeakPolarHBondContact O-CB 3.5Å; I209-E212 PolarHBondContact O-N 3.39Å; I209-V213 HydrophobicContact CG2-CG2 4.47Å; I209-V213 WeakPolarHBondContact O-CG2 3.14Å; I209-V213 PolarHBondContact O-N 2.93Å
210V93.3Very high88.8Confident70 Ų7089.3 Ų89.342%0.42451%0.505SS..Hα-helixtrans-60.8-44.6177169.80000111.3V206 S208 E212 V213 D214V206-V210 HydrophobicContact CG1-CG2 4.4Å; V206-V210 WeakPolarHBondContact O-CG2 3.41Å; V206-V210 PolarHBondContact O-N 2.88Å; S208-V210 PolarHBondContact O-N 2.88Å; V210-E212 VanDerWaalsContact C-N 3.3Å; V210-E212 PolarHBondContact O-N 3.09Å; V210-V213 PolarHBondContact O-N 3.21Å; V210-D214 WeakPolarHBondContact O-CB 3.47Å; V210-D214 PolarHBondContact O-N 3.47Å
211N93Very high87.2Confident109 Ų10989.4 Ų89.458%0.58351%0.51SS*.Hα-helixtrans-61.6-38.7177.3-69.8-22.3000112.1K207 S208 I209 S215K207-N211 VanDerWaalsContact O-CG 3.27Å; K207-N211 PolarHBondContact O-N 3.33Å; K207-N211 VanDerWaalsContact O-N 3.15Å; K207-N211 PolarHBondContact O-ND2 3.28Å; S208-N211 PolarHBondContact O-N 2.81Å; I209-N211 PolarHBondContact O-N 3.27Å; N211-S215 WeakPolarHBondContact O-CB 3.24Å; N211-S215 PolarHBondContact O-N 3.31Å; N211-S215 PolarHBondContact O-OG 3.27Å
212E91.7Very high85.5Confident118 Ų11894.7 Ų94.755%0.55153%0.53SS*.Hα-helixtrans-63.2-45.9175.2-72.3170.2-154.300111.3S208 I209 V210 S215 A216S208-E212 WeakPolarHBondContact O-CG 3.38Å; S208-E212 PolarHBondContact O-N 2.84Å; S208-E212 VanDerWaalsContact O-N 3.08Å; I209-E212 WeakPolarHBondContact O-CB 3.5Å; I209-E212 PolarHBondContact O-N 3.39Å; V210-E212 VanDerWaalsContact C-N 3.3Å; V210-E212 PolarHBondContact O-N 3.09Å; E212-S215 PolarHBondContact O-N 3.2Å; E212-S215 PolarHBondContact O-OG 3.24Å; E212-A216 PolarHBondContact O-N 2.84Å
213V90.3Very high83.4Confident79 Ų79101.2 Ų101.248%0.47956%0.558SS.*Hα-helixtrans-66-41.9178.5173.80000112.3I209 V210 S215 A216 T217I209-V213 HydrophobicContact CG2-CG2 4.47Å; I209-V213 WeakPolarHBondContact O-CG2 3.14Å; I209-V213 PolarHBondContact O-N 2.93Å; V210-V213 PolarHBondContact O-N 3.21Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 2.62Å; V213-A216 PolarHBondContact O-N 3.38Å; V213-T217 WeakPolarHBondContact O-CB 3.48Å; V213-T217 PolarHBondContact O-N 3.06Å; V213-T217 PolarHBondContact O-OG1 3.28Å
214D89.2Confident82.8Confident91 Ų91101.8 Ų101.849%0.48756%0.563SS.*Hα-helixtrans-61.7-42.3176.2-76-18.1000110.7V210 A216 T217 V218V210-D214 WeakPolarHBondContact O-CB 3.47Å; V210-D214 PolarHBondContact O-N 3.47Å; D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 3.45Å; D214-T217 PolarHBondContact O-N 2.92Å; D214-V218 WeakPolarHBondContact O-CG2 3.34Å; D214-V218 PolarHBondContact O-N 3.35Å; D214-V218 VanDerWaalsContact O-N 3.09Å
215S86.4Confident82.1Confident83 Ų83100 Ų10058%0.5856%0.559SS**Hα-helixtrans-63.2-38176.376.30000112.9N211 E212 V213 G219N211-S215 WeakPolarHBondContact O-CB 3.24Å; N211-S215 PolarHBondContact O-N 3.31Å; N211-S215 PolarHBondContact O-OG 3.27Å; E212-S215 PolarHBondContact O-N 3.2Å; E212-S215 PolarHBondContact O-OG 3.24Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 2.62Å; S215-G219 PolarHBondContact O-N 3.44Å
216A84.2Confident81.4Confident59 Ų5998.6 Ų98.649%0.48856%0.558SS.*Hα-helixtrans-72.6-36.7177.300000112.8E212 V213 D214 G219 T220E212-A216 PolarHBondContact O-N 2.84Å; V213-A216 PolarHBondContact O-N 3.38Å; D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 3.45Å; A216-G219 PolarHBondContact O-N 3.32Å; A216-T220 PolarHBondContact O-N 2.78Å; A216-T220 PolarHBondContact O-OG1 3.3Å
217T77.6Confident80.6Confident66 Ų6699.7 Ų99.741%0.40556%0.562SS.*Hα-helixtrans-70.9-41.5-178.8-54.30000111.6V213 D214 G219 T220 I221V213-T217 WeakPolarHBondContact O-CB 3.48Å; V213-T217 PolarHBondContact O-N 3.06Å; V213-T217 PolarHBondContact O-OG1 3.28Å; D214-T217 PolarHBondContact O-N 2.92Å; T217-G219 PolarHBondContact O-N 2.83Å; T217-T220 PolarHBondContact O-N 3.09Å; T217-I221 HydrophobicContact CG2-CD1 4.1Å; T217-I221 PolarHBondContact O-N 2.95Å; T217-I221 VanDerWaalsContact O-N 3.14Å
218V70.7Confident79.7Confident92 Ų9297.6 Ų97.656%0.55856%0.561SS**Hα-helixtrans-60.5-37173.4173.60000111.2D214 T220 L222D214-V218 WeakPolarHBondContact O-CG2 3.34Å; D214-V218 PolarHBondContact O-N 3.35Å; D214-V218 VanDerWaalsContact O-N 3.09Å; V218-T220 VanDerWaalsContact C-N 3.25Å; V218-T220 PolarHBondContact O-N 3.06Å; V218-L222 HydrophobicContact CG1-CD1 4.29Å
219G66.9Low78.6Confident45 Ų45100.2 Ų100.246%0.46457%0.571SS.*Hα-helixtrans-64.4-27.3174.600000114.1S215 A216 T217S215-G219 PolarHBondContact O-N 3.44Å; A216-G219 PolarHBondContact O-N 3.32Å; T217-G219 PolarHBondContact O-N 2.83Å
220T69.4Low77.5Confident97 Ų97101.1 Ų101.160%0.59558%0.58SS**Hα-helixtrans-89.4-32.6-176.4-49.60000112.8A216 T217 V218 L222 Q223A216-T220 PolarHBondContact O-N 2.78Å; A216-T220 PolarHBondContact O-OG1 3.3Å; T217-T220 PolarHBondContact O-N 3.09Å; V218-T220 VanDerWaalsContact C-N 3.25Å; V218-T220 PolarHBondContact O-N 3.06Å; T220-L222 VanDerWaalsContact C-N 3.28Å; T220-L222 PolarHBondContact O-N 3.11Å; T220-Q223 PolarHBondContact O-N 2.64Å
221I61.8Low76.3Confident135 Ų135103.5 Ų103.569%0.69259%0.592SS**Hα-helixtrans-73.5-19.3178.3-65.5171.9000112.4T217 Q223T217-I221 HydrophobicContact CG2-CD1 4.1Å; T217-I221 PolarHBondContact O-N 2.95Å; T217-I221 VanDerWaalsContact O-N 3.14Å; I221-Q223 VanDerWaalsContact C-N 3.28Å; I221-Q223 PolarHBondContact O-N 3.32Å
222L60.3Low74.9Confident146 Ų146103.1 Ų103.176%0.76459%0.593SS**THydrogen-bonded Turntrans-858.3177.7-71.1171.7000114.2V218 T220V218-L222 HydrophobicContact CG1-CD1 4.29Å; T220-L222 VanDerWaalsContact C-N 3.28Å; T220-L222 PolarHBondContact O-N 3.11Å
223Q51.1Low73.4Confident226 Ų226101.7 Ų101.7100%1.05660%0.597SS**  trans-109.40173.4-68.4-171.4-20.900111T220 I221T220-Q223 PolarHBondContact O-N 2.64Å; I221-Q223 VanDerWaalsContact C-N 3.28Å; I221-Q223 PolarHBondContact O-N 3.32Å

Retrieved 223 of 223 residues in 571.3 ms (Link to these results)

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