A0A077Z5D2_TRITR Loading...

UBX and Thioredoxin 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5D2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M58.7Low77.5Confident170 Ų17066.7 Ų66.784%0.83734%0.341SS*.  032.60-83.3-165.1-84.800112.4A3 K4 A5M1-A3 PolarHBondContact O-N 3.48Å; M1-K4 PolarHBondContact O-N 3.02Å; M1-K4 HydrophobicContact SD-CD 4.37Å; M1-A5 PolarHBondContact O-N 2.92Å; M1-A5 VanDerWaalsContact O-N 3.15Å
2E71.1Confident78.9Confident108 Ų10861.4 Ų61.451%0.50531%0.314SS..Hα-helixtrans-65.7-41.8-178.5-174.9-178.2170.900112.8K4 A5 K6 V44E2-K4 PolarHBondContact O-N 2.99Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-K6 HydrophobicContact CG-CD 3.95Å; E2-K6 HydrophobicContact CG-CG 4.46Å; E2-K6 WeakPolarHBondContact O-CB 3.38Å; E2-K6 WeakPolarHBondContact O-CG 3.49Å; E2-K6 PolarHBondContact O-N 3.46Å; E2-K6 WeakPolarHBondContact OE1-CE 3.41Å; E2-K6 IonicContact OE1-NZ 3.4Å; E2-K6 PolarHBondContact OE1-NZ 3.06Å; E2-V44 HydrophobicContact CG-CG2 4.34Å
3A64.4Low80.1Confident6 Ų656.7 Ų56.75%0.0529%0.289CS..Hα-helixtrans-58.8-45.2178.500000112.4M1 K6 N7 R8 L10 V44 P75M1-A3 PolarHBondContact O-N 3.48Å; A3-K6 PolarHBondContact O-N 3.2Å; A3-N7 PolarHBondContact O-N 3.04Å; A3-N7 VanDerWaalsContact O-N 3.09Å; A3-R8 CarbonylContact C-O 3.52Å; A3-R8 WeakPolarHBondContact CB-O 3.46Å; A3-R8 PolarHBondContact O-N 2.95Å; A3-L10 HydrophobicContact CB-CB 4.46Å; A3-V44 HydrophobicContact CB-CB 3.9Å; A3-V44 HydrophobicContact CB-CG2 3.75Å; A3-P75 HydrophobicContact CB-CB 3.52Å; A3-P75 HydrophobicContact CB-CG 4.01Å
4K62.7Low81Confident63 Ų6352.6 Ų52.627%0.27427%0.269SS..Hα-helixtrans-62.2-47175.2-175177-178.4177.50111.5M1 E2 K6 N7 R76 H255M1-K4 PolarHBondContact O-N 3.02Å; M1-K4 HydrophobicContact SD-CD 4.37Å; E2-K4 PolarHBondContact O-N 2.99Å; K4-K6 VanDerWaalsContact C-N 3.27Å; K4-K6 PolarHBondContact O-N 3.1Å; K4-N7 PolarHBondContact O-N 3.25Å; K4-R76 HydrophobicContact CD-CG 4.3Å; K4-R76 HydrophobicContact CG-CG 4.23Å; K4-H255 PolarHBondContact NZ-O 3.22Å; K4-H255 VanDerWaalsContact NZ-O 3.14Å
5A67.1Low81.9Confident91 Ų9149.5 Ų49.575%0.75225%0.252SS*.Hα-helixtrans-63.2-33.318000000112.8M1 E2M1-A5 PolarHBondContact O-N 2.92Å; M1-A5 VanDerWaalsContact O-N 3.15Å; E2-A5 PolarHBondContact O-N 3.23Å
6K76.3Confident82.7Confident107 Ų10747.1 Ų47.147%0.46524%0.24SC..THydrogen-bonded Turntrans-88.3-0.5178.2-67.2-177.4176.4178.50114E2 A3 K4 R8E2-K6 HydrophobicContact CG-CD 3.95Å; E2-K6 HydrophobicContact CG-CG 4.46Å; E2-K6 WeakPolarHBondContact O-CB 3.38Å; E2-K6 WeakPolarHBondContact O-CG 3.49Å; E2-K6 PolarHBondContact O-N 3.46Å; E2-K6 WeakPolarHBondContact OE1-CE 3.41Å; E2-K6 IonicContact OE1-NZ 3.4Å; E2-K6 PolarHBondContact OE1-NZ 3.06Å; A3-K6 PolarHBondContact O-N 3.2Å; K4-K6 VanDerWaalsContact C-N 3.27Å; K4-K6 PolarHBondContact O-N 3.1Å; K6-R8 HydrophobicContact CB-CB 4.33Å; K6-R8 HydrophobicContact CB-CG 4.05Å; K6-R8 PolarHBondContact O-N 3.29Å
7N82.5Confident83.2Confident63 Ų6348.3 Ų48.334%0.33725%0.252SS..THydrogen-bonded Turntrans4647-168-166.731.8000112.6A3 K4 S105 P106 S107A3-N7 PolarHBondContact O-N 3.04Å; A3-N7 VanDerWaalsContact O-N 3.09Å; K4-N7 PolarHBondContact O-N 3.25Å; N7-S105 VanDerWaalsContact ND2-CB 3.32Å; N7-S105 WeakPolarHBondContact ND2-CB 3.32Å; N7-S105 PolarHBondContact ND2-OG 3.42Å; N7-P106 WeakPolarHBondContact O-CD 3.31Å; N7-P106 WeakPolarHBondContact OD1-CD 3.3Å; N7-S107 WeakPolarHBondContact OD1-CB 3.33Å; N7-S107 PolarHBondContact OD1-N 2.79Å; N7-S107 PolarHBondContact OD1-OG 3.37Å; N7-S107 VanDerWaalsContact OD1-OG 3.12Å
8R88Confident83.9Confident83 Ų8356.1 Ų56.131%0.31328%0.284SS..  trans-118.8148179.2-73.9-177-170.8-163.4-4.8110.4A3 K6 S40 N41 N42 V44 P75 P106A3-R8 CarbonylContact C-O 3.52Å; A3-R8 WeakPolarHBondContact CB-O 3.46Å; A3-R8 PolarHBondContact O-N 2.95Å; K6-R8 HydrophobicContact CB-CB 4.33Å; K6-R8 HydrophobicContact CB-CG 4.05Å; K6-R8 PolarHBondContact O-N 3.29Å; R8-S40 PolarHBondContact NH1-O 3.4Å; R8-N41 PolarHBondContact NE-O 3.08Å; R8-N42 WeakPolarHBondContact CA-O 3.47Å; R8-N42 VanDerWaalsContact CB-O 3.3Å; R8-N42 WeakPolarHBondContact CB-O 3.39Å; R8-V44 HydrophobicContact CB-CG2 4.37Å; R8-P75 WeakPolarHBondContact O-CG 3.35Å; R8-P106 VanDerWaalsContact C-CG 3.46Å
9W92.4Very high84.4Confident7 Ų757.7 Ų57.73%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-66.6153.1176-67.6108.4000111.3N42 F43 V44 I72 D74 M81 F99 H103 S105 P106W9-N42 PolarHBondContact N-O 3.49Å; W9-F43 HydrophobicContact CB-CD1 3.36Å; W9-F43 HydrophobicContact CB-CE1 3.4Å; W9-F43 VanDerWaalsContact CB-CE1 3.4Å; W9-F43 HydrophobicContact CB-CG 4.28Å; W9-F43 HydrophobicContact CB-CZ 4.38Å; W9-F43 HydrophobicContact CG-CD1 4.44Å; W9-F43 HydrophobicContact CG-CE1 4.08Å; W9-F43 CarbonylContact O-C 3.57Å; W9-F43 VanDerWaalsContact O-CA 3.22Å; W9-F43 WeakPolarHBondContact O-CA 3.48Å; W9-V44 PolarHBondContact O-N 3.27Å; W9-I72 HydrophobicContact CB-CG2 4.21Å; W9-I72 HydrophobicContact CD2-CG2 4.48Å; W9-I72 HydrophobicContact CE3-CG2 4.28Å; W9-I72 HydrophobicContact CG-CG2 4.46Å; W9-D74 HydrophobicContact CZ3-CB 3.85Å; W9-M81 HydrophobicContact CH2-CE 4.35Å; W9-M81 HydrophobicContact CZ3-CE 4.4Å; W9-M81 HydrophobicContact CZ3-CG 4.29Å; W9-F99 AromaticContact CD1-CE1 3.8Å; W9-F99 AromaticContact CD2-CE1 3.78Å; W9-F99 HydrophobicContact CD2-CE1 3.78Å; W9-F99 AromaticContact CD2-CZ 3.87Å; W9-F99 HydrophobicContact CD2-CZ 3.87Å; W9-F99 AromaticContact CE2-CE1 3.71Å; W9-F99 AromaticContact CE2-CZ 3.87Å; W9-F99 HydrophobicContact CE3-CE1 4.4Å; W9-F99 HydrophobicContact CE3-CZ 4.04Å; W9-F99 AromaticContact CG-CE1 3.89Å; W9-F99 HydrophobicContact CG-CE1 3.89Å; W9-F99 HydrophobicContact CG-CZ 4.42Å; W9-F99 HydrophobicContact CH2-CZ 4.26Å; W9-F99 HydrophobicContact CZ2-CE1 4.33Å; W9-F99 HydrophobicContact CZ2-CZ 4.11Å; W9-F99 HydrophobicContact CZ3-CZ 4.22Å; W9-F99 AromaticContact NE1-CE1 3.66Å; W9-H103 HydrophobicContact CH2-CB 4.28Å; W9-H103 HydrophobicContact CZ2-CB 3.62Å; W9-H103 PolarHBondContact NE1-O 3.13Å; W9-S105 WeakPolarHBondContact CZ2-O 3.23Å; W9-P106 HydrophobicContact CD2-CG 3.78Å; W9-P106 HydrophobicContact CE3-CB 4.44Å; W9-P106 HydrophobicContact CE3-CG 4Å; W9-P106 HydrophobicContact CG-CG 4.13Å; W9-P106 HydrophobicContact CH2-CB 4.38Å; W9-P106 HydrophobicContact CZ2-CB 4.48Å; W9-P106 HydrophobicContact CZ2-CG 4.33Å; W9-P106 HydrophobicContact CZ3-CB 4.36Å; W9-P106 HydrophobicContact CZ3-CG 4.39Å
10L93.3Very high84.9Confident36 Ų3662.3 Ų62.319%0.18831%0.308CS..EExtended strand (participates in β ladder)trans-94.4118.2172.6179.766000108.6A3 I12 V44 V73 P75A3-L10 HydrophobicContact CB-CB 4.46Å; L10-I12 HydrophobicContact CD2-CD1 4.11Å; L10-I12 HydrophobicContact CD2-CG1 4.05Å; L10-I12 HydrophobicContact CG-CG1 3.97Å; L10-V44 HydrophobicContact CD1-CB 4.46Å; L10-V44 HydrophobicContact CD1-CG1 4.33Å; L10-V73 HydrophobicContact CB-CB 4.2Å; L10-V73 WeakPolarHBondContact CB-O 3.09Å; L10-V73 HydrophobicContact CD2-CB 4.29Å; L10-V73 HydrophobicContact CD2-CG1 4.18Å; L10-V73 HydrophobicContact CG-CB 4.48Å; L10-V73 PolarHBondContact N-O 3.5Å; L10-V73 PolarHBondContact O-N 2.74Å; L10-P75 HydrophobicContact CB-CB 4.4Å
11M96.1Very high85.4Confident0 Ų061.3 Ų61.30%031%0.31CS..EExtended strand (participates in β ladder)trans-101.1112.1171.6-176175.5-67.300109W30 V39 F43 V44 F45 Y46 V70 G71 I72 L84 I96M11-W30 HydrophobicContact SD-CH2 3.94Å; M11-W30 HydrophobicContact SD-CZ3 4.25Å; M11-V39 HydrophobicContact CE-CG2 3.89Å; M11-V39 HydrophobicContact SD-CG1 4.43Å; M11-V39 HydrophobicContact SD-CG2 3.89Å; M11-F43 HydrophobicContact CB-CB 4.05Å; M11-F43 HydrophobicContact CB-CD1 3.83Å; M11-F43 HydrophobicContact CB-CG 4.15Å; M11-F43 HydrophobicContact CE-CD1 3.86Å; M11-F43 HydrophobicContact CE-CD2 4.03Å; M11-F43 HydrophobicContact CE-CE1 3.96Å; M11-F43 HydrophobicContact CE-CE2 4.1Å; M11-F43 HydrophobicContact CE-CG 3.91Å; M11-F43 HydrophobicContact CE-CZ 4.08Å; M11-V44 PolarHBondContact N-O 2.99Å; M11-F45 HydrophobicContact CB-CD2 4.07Å; M11-F45 HydrophobicContact CG-CD2 3.88Å; M11-F45 HydrophobicContact CG-CE2 4.08Å; M11-F45 HydrophobicContact SD-CD2 3.75Å; M11-F45 HydrophobicContact SD-CE2 3.8Å; M11-Y46 PolarHBondContact O-N 2.82Å; M11-V70 HydrophobicContact CG-CG1 4.11Å; M11-V70 HydrophobicContact SD-CG1 4.16Å; M11-G71 CarbonylContact C-O 3.59Å; M11-G71 WeakPolarHBondContact CA-O 3.28Å; M11-I72 HydrophobicContact CE-CG1 4.38Å; M11-L84 HydrophobicContact CE-CD1 3.65Å; M11-L84 HydrophobicContact SD-CD1 4.42Å; M11-I96 HydrophobicContact CE-CD1 4.05Å; M11-I96 HydrophobicContact CE-CG1 4.36Å
12I94Very high87Confident3 Ų353.2 Ų53.22%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-92.2127.4178.5-57.7-174.4000108.5L10 I14 Y46 L58 Y62 V70 G71 V73L10-I12 HydrophobicContact CD2-CD1 4.11Å; L10-I12 HydrophobicContact CD2-CG1 4.05Å; L10-I12 HydrophobicContact CG-CG1 3.97Å; I12-I14 HydrophobicContact CG2-CD1 4.24Å; I12-I14 HydrophobicContact CG2-CG1 3.77Å; I12-Y46 WeakPolarHBondContact CA-O 3.34Å; I12-L58 HydrophobicContact CD1-CD1 4.46Å; I12-L58 HydrophobicContact CD1-CD2 3.86Å; I12-L58 HydrophobicContact CG2-CD1 3.79Å; I12-Y62 HydrophobicContact CD1-CD2 4.36Å; I12-Y62 HydrophobicContact CD1-CE2 3.64Å; I12-V70 CarbonylContact O-C 3.58Å; I12-V70 VanDerWaalsContact O-CA 3.3Å; I12-V70 WeakPolarHBondContact O-CA 3.49Å; I12-G71 PolarHBondContact N-O 3Å; I12-G71 PolarHBondContact O-N 3.49Å; I12-V73 HydrophobicContact CD1-CB 4.33Å; I12-V73 HydrophobicContact CD1-CG2 3.67Å; I12-V73 HydrophobicContact CG1-CG2 4.15Å
13N95.3Very high88Confident0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-121107.6172.7175.425.6000109.5Q15 W30 F45 Y46 Q47 V48 F69N13-Q15 PolarHBondContact ND2-NE2 3.45Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.12Å; N13-Q15 PolarHBondContact OD1-NE2 3.47Å; N13-W30 HydrophobicContact CB-CZ2 4.43Å; N13-W30 PolarHBondContact ND2-NE1 3.19Å; N13-F45 HydrophobicContact CB-CE1 4.3Å; N13-F45 HydrophobicContact CB-CE2 3.84Å; N13-F45 HydrophobicContact CB-CZ 3.53Å; N13-F45 WeakPolarHBondContact ND2-CZ 3.46Å; N13-Y46 PolarHBondContact N-O 2.97Å; N13-Q47 HydrophobicContact CB-CB 4.35Å; N13-Q47 HydrophobicContact CB-CG 4.47Å; N13-Q47 PolarHBondContact ND2-OE1 3.05Å; N13-Q47 CarbonylContact O-C 3.55Å; N13-Q47 VanDerWaalsContact O-CA 3.28Å; N13-Q47 WeakPolarHBondContact O-CA 3.49Å; N13-V48 PolarHBondContact O-N 3.14Å; N13-F69 CarbonylContact C-O 3.55Å; N13-F69 VanDerWaalsContact CA-O 3.31Å; N13-F69 WeakPolarHBondContact CA-O 3.31Å
14I92.9Very high89.4Confident0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-103.8123.3177.2-44.4174.8000108.9I12 V48 K50 L58 V64 F67 P68 F69I12-I14 HydrophobicContact CG2-CD1 4.24Å; I12-I14 HydrophobicContact CG2-CG1 3.77Å; I14-V48 WeakPolarHBondContact CA-O 3.25Å; I14-V48 HydrophobicContact CB-CG2 4.39Å; I14-V48 HydrophobicContact CG1-CG2 3.97Å; I14-V48 HydrophobicContact CG2-CG2 4.24Å; I14-K50 HydrophobicContact CG2-CB 4.41Å; I14-L58 HydrophobicContact CD1-CB 3.7Å; I14-L58 HydrophobicContact CD1-CD1 4.46Å; I14-V64 HydrophobicContact CD1-CG2 4.3Å; I14-F67 HydrophobicContact CB-CD1 4.42Å; I14-F67 HydrophobicContact CB-CE1 4.36Å; I14-F67 HydrophobicContact CG2-CD1 4.06Å; I14-F67 HydrophobicContact CG2-CE1 3.71Å; I14-P68 WeakPolarHBondContact O-CA 3.47Å; I14-F69 HydrophobicContact CB-CB 4.24Å; I14-F69 HydrophobicContact CD1-CD1 3.81Å; I14-F69 HydrophobicContact CD1-CE1 4.37Å; I14-F69 HydrophobicContact CG1-CD1 3.96Å; I14-F69 PolarHBondContact N-O 2.81Å; I14-F69 PolarHBondContact O-N 3.2Å
15Q94.1Very high90.9Very high5 Ų550.7 Ų50.72%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-118.7143.7-177.8-62.4-170.2-1300112.1N13 C22 N26 V48 F49 K50N13-Q15 PolarHBondContact ND2-NE2 3.45Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.12Å; N13-Q15 PolarHBondContact OD1-NE2 3.47Å; Q15-C22 HydrophobicContact CB-CB 4.17Å; Q15-C22 HydrophobicContact CG-CB 4.26Å; Q15-N26 PolarHBondContact NE2-OD1 2.56Å; Q15-N26 PolarHBondContact OE1-ND2 2.92Å; Q15-N26 VanDerWaalsContact OE1-ND2 3.1Å; Q15-V48 PolarHBondContact N-O 3.38Å; Q15-F49 HydrophobicContact CB-CD1 4.3Å; Q15-F49 CarbonylContact O-C 3.52Å; Q15-F49 VanDerWaalsContact O-CA 3.3Å; Q15-F49 WeakPolarHBondContact O-CA 3.25Å; Q15-K50 PolarHBondContact O-N 2.91Å
16D95Very high92Very high11 Ų1148.8 Ų48.86%0.05924%0.237CC..  trans-107.4116.8164.5-170.7-20.9000107.8K18 E19 C22 K50 F67D16-K18 PolarHBondContact O-N 3.46Å; D16-K18 WeakPolarHBondContact OD1-CB 3.41Å; D16-K18 PolarHBondContact OD1-N 2.78Å; D16-E19 HydrophobicContact CB-CB 4.21Å; D16-E19 HydrophobicContact CB-CG 3.77Å; D16-E19 WeakPolarHBondContact O-CB 3.3Å; D16-E19 PolarHBondContact O-N 2.87Å; D16-C22 PolarHBondContact N-SG 3.41Å; D16-C22 VanDerWaalsContact N-SG 3.42Å; D16-C22 PolarHBondContact O-SG 3.26Å; D16-K50 HydrophobicContact CB-CB 4.37Å; D16-K50 HydrophobicContact CB-CD 3.95Å; D16-K50 WeakPolarHBondContact OD2-CD 3.41Å; D16-K50 IonicContact OD2-NZ 2.78Å; D16-K50 PolarHBondContact OD2-NZ 2.82Å; D16-F67 HydrophobicContact CB-CB 3.96Å; D16-F67 HydrophobicContact CB-CD1 4.45Å; D16-F67 HydrophobicContact CB-CD2 4.11Å; D16-F67 HydrophobicContact CB-CG 3.9Å
17P91.2Very high92.8Very high68 Ų6850.3 Ų50.344%0.44224%0.24SC..THydrogen-bonded Turntrans-57.2-21.5178.4-25.234.4000114.2E19 F49P17-E19 VanDerWaalsContact C-N 3.28Å; P17-F49 HydrophobicContact CG-CD1 3.77Å; P17-F49 HydrophobicContact CG-CE1 3.97Å; P17-F49 HydrophobicContact CG-CG 4.46Å
18K94.6Very high93.3Very high189 Ų18950.2 Ų50.282%0.82224%0.239SC*.THydrogen-bonded Turntrans-77.3-14.9176.4-61-178.1179.2-177.60113D16D16-K18 PolarHBondContact O-N 3.46Å; D16-K18 WeakPolarHBondContact OD1-CB 3.41Å; D16-K18 PolarHBondContact OD1-N 2.78Å
19E94.7Very high93.6Very high86 Ų8646.3 Ų46.340%0.40223%0.225SC..  trans-94.5114.5-176.8-69-64.7166.300111.3D16 P17 A21 C22 F67D16-E19 HydrophobicContact CB-CB 4.21Å; D16-E19 HydrophobicContact CB-CG 3.77Å; D16-E19 WeakPolarHBondContact O-CB 3.3Å; D16-E19 PolarHBondContact O-N 2.87Å; P17-E19 VanDerWaalsContact C-N 3.28Å; E19-A21 PolarHBondContact O-N 3.22Å; E19-C22 WeakPolarHBondContact O-CB 3.41Å; E19-C22 PolarHBondContact O-N 3.23Å; E19-F67 HydrophobicContact CG-CB 4.16Å
20F94.3Very high93.6Very high149 Ų14947.9 Ų47.965%0.65423%0.231SC*.Hα-helixtrans-59.4-33179.8-176.3-104.4000112.3C22 Q23 V24F20-C22 PolarHBondContact O-N 2.97Å; F20-Q23 WeakPolarHBondContact O-CA 3.34Å; F20-Q23 WeakPolarHBondContact O-CB 3.37Å; F20-Q23 PolarHBondContact O-N 3.12Å; F20-V24 HydrophobicContact CD1-CG2 3.69Å; F20-V24 HydrophobicContact CE1-CG2 3.37Å; F20-V24 HydrophobicContact CZ-CG2 4Å; F20-V24 PolarHBondContact O-N 3.35Å
21A94Very high93.5Very high42 Ų4249.5 Ų49.535%0.34725%0.245SC..Hα-helixtrans-57.9-30.2175.400000113E19 Q23 V24 L25E19-A21 PolarHBondContact O-N 3.22Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; A21-V24 PolarHBondContact O-N 2.82Å; A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 2.68Å
22C92.6Very high93.3Very high0 Ų052.5 Ų52.50%026%0.259CS..Hα-helixtrans-67.3-36.7174.4-64.30000111.6Q15 D16 E19 F20 L25 N26 P68Q15-C22 HydrophobicContact CB-CB 4.17Å; Q15-C22 HydrophobicContact CG-CB 4.26Å; D16-C22 PolarHBondContact N-SG 3.41Å; D16-C22 VanDerWaalsContact N-SG 3.42Å; D16-C22 PolarHBondContact O-SG 3.26Å; E19-C22 WeakPolarHBondContact O-CB 3.41Å; E19-C22 PolarHBondContact O-N 3.23Å; F20-C22 PolarHBondContact O-N 2.97Å; C22-L25 PolarHBondContact O-N 2.96Å; C22-N26 VanDerWaalsContact O-CG 3.27Å; C22-N26 PolarHBondContact O-N 3.43Å; C22-N26 VanDerWaalsContact O-N 3.08Å; C22-N26 PolarHBondContact O-ND2 2.97Å; C22-P68 HydrophobicContact CB-CB 4.5Å
23Q92.4Very high93.2Very high98 Ų9856 Ų5646%0.45828%0.284SS..Hα-helixtrans-70.5-41.6177.4-55.5-61.8-10.500111.4F20 A21 L25 N26 R27F20-Q23 WeakPolarHBondContact O-CA 3.34Å; F20-Q23 WeakPolarHBondContact O-CB 3.37Å; F20-Q23 PolarHBondContact O-N 3.12Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 3.17Å; Q23-N26 PolarHBondContact O-N 3Å; Q23-R27 WeakPolarHBondContact O-CB 3.45Å; Q23-R27 PolarHBondContact O-N 3.43Å
24V93.6Very high93Very high20 Ų2056.5 Ų56.512%0.12129%0.288CS..Hα-helixtrans-57.8-47.8173174.70000110.3F20 A21 N26 R27 D28F20-V24 HydrophobicContact CD1-CG2 3.69Å; F20-V24 HydrophobicContact CE1-CG2 3.37Å; F20-V24 HydrophobicContact CZ-CG2 4Å; F20-V24 PolarHBondContact O-N 3.35Å; A21-V24 PolarHBondContact O-N 2.82Å; V24-N26 PolarHBondContact O-N 2.78Å; V24-R27 PolarHBondContact O-N 3.42Å; V24-D28 WeakPolarHBondContact CG1-OD2 3.48Å; V24-D28 WeakPolarHBondContact O-CB 3.38Å; V24-D28 PolarHBondContact O-N 2.95Å
25L94.1Very high93Very high7 Ų756.5 Ų56.54%0.03729%0.288CS..Iπ-helixtrans-58.9-43.6177.6177.6124.6000112.4A21 C22 Q23 R27 I29 W30 P68 V70A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 2.68Å; C22-L25 PolarHBondContact O-N 2.96Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 3.17Å; L25-R27 PolarHBondContact O-N 2.96Å; L25-I29 HydrophobicContact CD1-CG1 4.45Å; L25-I29 HydrophobicContact CG-CB 4.38Å; L25-I29 HydrophobicContact CG-CG1 4.32Å; L25-I29 WeakPolarHBondContact O-CA 3.28Å; L25-I29 VanDerWaalsContact O-CB 3.28Å; L25-I29 WeakPolarHBondContact O-CB 3.45Å; L25-I29 PolarHBondContact O-N 2.97Å; L25-W30 HydrophobicContact CD2-CZ2 3.84Å; L25-W30 HydrophobicContact CG-CZ2 4.39Å; L25-W30 PolarHBondContact O-N 3.38Å; L25-P68 HydrophobicContact CB-CG 4.07Å; L25-P68 HydrophobicContact CD1-CB 4.2Å; L25-P68 HydrophobicContact CD1-CG 3.79Å; L25-P68 HydrophobicContact CD2-CB 4.18Å; L25-P68 HydrophobicContact CD2-CG 4.43Å; L25-P68 HydrophobicContact CG-CG 4.33Å; L25-V70 HydrophobicContact CD1-CG2 3.8Å; L25-V70 HydrophobicContact CD2-CG2 4.45Å
26N91Very high92.9Very high50 Ų5063.3 Ų63.327%0.26731%0.313SS..Iπ-helixtrans-64.7-38.5177.2-68.6-26.1000112.9Q15 C22 Q23 V24 W30Q15-N26 PolarHBondContact NE2-OD1 2.56Å; Q15-N26 PolarHBondContact OE1-ND2 2.92Å; Q15-N26 VanDerWaalsContact OE1-ND2 3.1Å; C22-N26 VanDerWaalsContact O-CG 3.27Å; C22-N26 PolarHBondContact O-N 3.43Å; C22-N26 VanDerWaalsContact O-N 3.08Å; C22-N26 PolarHBondContact O-ND2 2.97Å; Q23-N26 PolarHBondContact O-N 3Å; V24-N26 PolarHBondContact O-N 2.78Å; N26-W30 PolarHBondContact OD1-NE1 2.92Å
27R92.8Very high92.6Very high140 Ų14067.1 Ų67.153%0.52833%0.333SS..Iπ-helixtrans-77.7-41.3-178.5-173.6-170.966-138.4-8.2112.9Q23 V24 L25 S31Q23-R27 WeakPolarHBondContact O-CB 3.45Å; Q23-R27 PolarHBondContact O-N 3.43Å; V24-R27 PolarHBondContact O-N 3.42Å; L25-R27 PolarHBondContact O-N 2.96Å; R27-S31 VanDerWaalsContact O-CB 3.23Å; R27-S31 WeakPolarHBondContact O-CB 3.28Å; R27-S31 PolarHBondContact O-OG 3.18Å
28D93.1Very high92.7Very high60 Ų6064.8 Ų64.832%0.32132%0.317SS..Iπ-helixtrans-103.5-30.6-166.1-61.2-13.1000112.5V24V24-D28 WeakPolarHBondContact CG1-OD2 3.48Å; V24-D28 WeakPolarHBondContact O-CB 3.38Å; V24-D28 PolarHBondContact O-N 2.95Å
29I93.8Very high92.5Very high2 Ų256.4 Ų56.41%0.0128%0.282CS..Iπ-helixtrans-98.2-56.8-176.4-51.1-62.4000110.9L25 S31 H32 V35 D88 A89 C92L25-I29 HydrophobicContact CD1-CG1 4.45Å; L25-I29 HydrophobicContact CG-CB 4.38Å; L25-I29 HydrophobicContact CG-CG1 4.32Å; L25-I29 WeakPolarHBondContact O-CA 3.28Å; L25-I29 VanDerWaalsContact O-CB 3.28Å; L25-I29 WeakPolarHBondContact O-CB 3.45Å; L25-I29 PolarHBondContact O-N 2.97Å; I29-S31 PolarHBondContact O-N 3Å; I29-H32 WeakPolarHBondContact O-CB 3.36Å; I29-H32 PolarHBondContact O-N 3.41Å; I29-H32 VanDerWaalsContact O-N 3.1Å; I29-V35 HydrophobicContact CG2-CG1 4.13Å; I29-V35 HydrophobicContact CG2-CG2 4.39Å; I29-D88 VanDerWaalsContact CD1-C 3.42Å; I29-A89 HydrophobicContact CD1-CB 4Å; I29-A89 VanDerWaalsContact CD1-N 3.28Å; I29-C92 HydrophobicContact CG2-CB 4.15Å
30W93.5Very high92.3Very high39 Ų3955.3 Ų55.315%0.14828%0.284CS..THydrogen-bonded Turntrans-71.6-16.6-175.6-58144.9000114.2M11 N13 L25 N26 V35 R36 V39 F45 V70M11-W30 HydrophobicContact SD-CH2 3.94Å; M11-W30 HydrophobicContact SD-CZ3 4.25Å; N13-W30 HydrophobicContact CB-CZ2 4.43Å; N13-W30 PolarHBondContact ND2-NE1 3.19Å; L25-W30 HydrophobicContact CD2-CZ2 3.84Å; L25-W30 HydrophobicContact CG-CZ2 4.39Å; L25-W30 PolarHBondContact O-N 3.38Å; N26-W30 PolarHBondContact OD1-NE1 2.92Å; W30-V35 HydrophobicContact CE3-CG1 3.85Å; W30-V35 HydrophobicContact CZ3-CG1 3.86Å; W30-R36 VanDerWaalsContact O-CD 3.25Å; W30-R36 WeakPolarHBondContact O-CD 3.32Å; W30-R36 WeakPolarHBondContact O-CG 3.46Å; W30-V39 HydrophobicContact CZ3-CG2 4.27Å; W30-F45 HydrophobicContact CD2-CZ 4.24Å; W30-F45 AromaticContact CE2-CZ 3.66Å; W30-F45 AromaticContact CH2-CE2 3.56Å; W30-F45 HydrophobicContact CH2-CE2 3.56Å; W30-F45 AromaticContact CH2-CZ 3.98Å; W30-F45 HydrophobicContact CH2-CZ 3.98Å; W30-F45 AromaticContact CZ2-CE2 3.6Å; W30-F45 HydrophobicContact CZ2-CE2 3.6Å; W30-F45 AromaticContact CZ2-CZ 3.54Å; W30-F45 HydrophobicContact CZ2-CZ 3.54Å; W30-F45 HydrophobicContact CZ3-CE2 4.04Å; W30-F45 HydrophobicContact CZ3-CZ 4.45Å; W30-F45 AromaticContact NE1-CZ 3.98Å; W30-V70 HydrophobicContact CH2-CG1 3.91Å; W30-V70 HydrophobicContact CH2-CG2 4.36Å; W30-V70 HydrophobicContact CZ2-CG1 4.27Å; W30-V70 HydrophobicContact CZ2-CG2 3.96Å
31S90.5Very high92.1Very high70 Ų7051.5 Ų51.549%0.4927%0.27SS..THydrogen-bonded Turntrans-79.4-21.4172.667.80000112.8R27 I29 S33R27-S31 VanDerWaalsContact O-CB 3.23Å; R27-S31 WeakPolarHBondContact O-CB 3.28Å; R27-S31 PolarHBondContact O-OG 3.18Å; I29-S31 PolarHBondContact O-N 3Å; S31-S33 PolarHBondContact O-N 3.42Å
32H91.3Very high91.9Very high63 Ų6350.7 Ų50.729%0.29226%0.26SS..  trans-69.3125.6-175.4-165.6-78.4000110.8I29 A34 V35 R36 A89I29-H32 WeakPolarHBondContact O-CB 3.36Å; I29-H32 PolarHBondContact O-N 3.41Å; I29-H32 VanDerWaalsContact O-N 3.1Å; H32-A34 PolarHBondContact ND1-N 2.63Å; H32-A34 PolarHBondContact O-N 3.02Å; H32-V35 HydrophobicContact CB-CB 4.28Å; H32-V35 HydrophobicContact CB-CG2 3.97Å; H32-V35 PolarHBondContact O-N 3.1Å; H32-R36 PolarHBondContact O-N 2.88Å; H32-A89 HydrophobicContact CB-CB 3.7Å; H32-A89 VanDerWaalsContact CD2-CB 3.46Å; H32-A89 WeakPolarHBondContact CD2-CB 3.44Å
33S92.3Very high92Very high77 Ų7751 Ų5154%0.53826%0.261SS..Hα-helixtrans-57.2-50.2-17351.70000112.8S31 V35 R36 D37S31-S33 PolarHBondContact O-N 3.42Å; S33-V35 VanDerWaalsContact C-N 3.29Å; S33-V35 PolarHBondContact O-N 3.35Å; S33-R36 WeakPolarHBondContact O-CB 3.34Å; S33-R36 PolarHBondContact O-N 2.95Å; S33-R36 VanDerWaalsContact O-N 3.15Å; S33-D37 PolarHBondContact O-N 3.15Å
34A91.6Very high92Very high10 Ų1047.4 Ų47.48%0.08325%0.246CC..Hα-helixtrans-61.7-35.1-179.700000113H32 L38 I145H32-A34 PolarHBondContact ND1-N 2.63Å; H32-A34 PolarHBondContact O-N 3.02Å; A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 WeakPolarHBondContact O-CG 3.43Å; A34-L38 PolarHBondContact O-N 3.3Å; A34-L38 VanDerWaalsContact O-N 3.07Å; A34-I145 HydrophobicContact CB-CD1 4.34Å
35V92.6Very high92.1Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-67.4-48.2175.8176.90000109.3I29 W30 H32 S33 D37 L38 V39 A89 C92 C93I29-V35 HydrophobicContact CG2-CG1 4.13Å; I29-V35 HydrophobicContact CG2-CG2 4.39Å; W30-V35 HydrophobicContact CE3-CG1 3.85Å; W30-V35 HydrophobicContact CZ3-CG1 3.86Å; H32-V35 HydrophobicContact CB-CB 4.28Å; H32-V35 HydrophobicContact CB-CG2 3.97Å; H32-V35 PolarHBondContact O-N 3.1Å; S33-V35 VanDerWaalsContact C-N 3.29Å; S33-V35 PolarHBondContact O-N 3.35Å; V35-D37 VanDerWaalsContact C-N 3.29Å; V35-D37 PolarHBondContact O-N 3.29Å; V35-L38 PolarHBondContact O-N 3.38Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CB 3.41Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.43Å; V35-V39 PolarHBondContact O-N 3.31Å; V35-A89 HydrophobicContact CG2-CB 4.24Å; V35-C92 HydrophobicContact CG2-CB 4.32Å; V35-C93 WeakPolarHBondContact CG2-SG 3.44Å
36R91Very high92.1Very high149 Ų14954.2 Ų54.256%0.56227%0.272SS*.Hα-helixtrans-56-45178.3-73.7175.752.2-155.3-9.3111.9W30 H32 S33 V39 S40W30-R36 VanDerWaalsContact O-CD 3.25Å; W30-R36 WeakPolarHBondContact O-CD 3.32Å; W30-R36 WeakPolarHBondContact O-CG 3.46Å; H32-R36 PolarHBondContact O-N 2.88Å; S33-R36 WeakPolarHBondContact O-CB 3.34Å; S33-R36 PolarHBondContact O-N 2.95Å; S33-R36 VanDerWaalsContact O-N 3.15Å; R36-V39 PolarHBondContact O-N 3.41Å; R36-S40 WeakPolarHBondContact O-CB 3.3Å; R36-S40 PolarHBondContact O-N 3.09Å; R36-S40 PolarHBondContact O-OG 2.84Å; R36-S40 VanDerWaalsContact O-OG 3.09Å
37D89.7Confident92.3Very high90 Ų9055.8 Ų55.848%0.48128%0.278SS..Hα-helixtrans-66.6-45.4-179-68.1-20.1000111.7S33 V35 V39 S40 N41S33-D37 PolarHBondContact O-N 3.15Å; V35-D37 VanDerWaalsContact C-N 3.29Å; V35-D37 PolarHBondContact O-N 3.29Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.35Å; D37-S40 PolarHBondContact O-OG 3.34Å; D37-N41 VanDerWaalsContact O-CB 3.31Å; D37-N41 WeakPolarHBondContact O-CB 3.31Å; D37-N41 PolarHBondContact O-N 2.84Å; D37-N41 VanDerWaalsContact O-N 3.16Å; D37-N41 PolarHBondContact O-ND2 3.16Å
38L92.3Very high92.3Very high19 Ų1949.8 Ų49.810%0.09926%0.257CS..Hα-helixtrans-60-44.4175.4-76.4171.1000111.5A34 V35 N42 C93 I96 L100A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 WeakPolarHBondContact O-CG 3.43Å; A34-L38 PolarHBondContact O-N 3.3Å; A34-L38 VanDerWaalsContact O-N 3.07Å; V35-L38 PolarHBondContact O-N 3.38Å; L38-N42 WeakPolarHBondContact O-CB 3.46Å; L38-N42 PolarHBondContact O-N 3.25Å; L38-N42 PolarHBondContact O-ND2 3.33Å; L38-C93 HydrophobicContact CD1-CB 4.08Å; L38-I96 HydrophobicContact CB-CG2 4.01Å; L38-I96 HydrophobicContact CD1-CB 4.3Å; L38-I96 HydrophobicContact CD1-CG2 4.11Å; L38-I96 HydrophobicContact CD2-CG2 4.48Å; L38-I96 HydrophobicContact CG-CG2 4.44Å; L38-L100 HydrophobicContact CD2-CD1 4.43Å
39V92.2Very high92.4Very high14 Ų1451.6 Ų51.69%0.08526%0.262CS..Hα-helixtrans-65.7-51179.7173.40000111.1M11 W30 V35 R36 D37 N41 N42 F43 F45 I96M11-V39 HydrophobicContact CE-CG2 3.89Å; M11-V39 HydrophobicContact SD-CG1 4.43Å; M11-V39 HydrophobicContact SD-CG2 3.89Å; W30-V39 HydrophobicContact CZ3-CG2 4.27Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CB 3.41Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.43Å; V35-V39 PolarHBondContact O-N 3.31Å; R36-V39 PolarHBondContact O-N 3.41Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.35Å; V39-N41 VanDerWaalsContact C-N 3.26Å; V39-N41 PolarHBondContact O-N 3.06Å; V39-N42 PolarHBondContact O-N 3.48Å; V39-F43 HydrophobicContact CG1-CB 4.39Å; V39-F43 WeakPolarHBondContact O-CA 3.35Å; V39-F43 WeakPolarHBondContact O-CB 3.31Å; V39-F43 PolarHBondContact O-N 2.69Å; V39-F45 HydrophobicContact CG1-CB 4.05Å; V39-F45 HydrophobicContact CG1-CD2 3.96Å; V39-F45 HydrophobicContact CG1-CG 4.26Å; V39-I96 HydrophobicContact CG2-CD1 4.34Å
40S88.9Confident92.4Very high63 Ų6355 Ų5544%0.44128%0.276SS..Hα-helixtrans-65.3-29.2-175.164.60000113.5R8 R36 D37R8-S40 PolarHBondContact NH1-O 3.4Å; R36-S40 WeakPolarHBondContact O-CB 3.3Å; R36-S40 PolarHBondContact O-N 3.09Å; R36-S40 PolarHBondContact O-OG 2.84Å; R36-S40 VanDerWaalsContact O-OG 3.09Å; D37-S40 PolarHBondContact O-OG 3.34Å
41N90.1Very high92.3Very high68 Ų6857.6 Ų57.636%0.36430%0.297SS..Hα-helixtrans-82.9-38.8-177.9-67.7-28.8000112.2R8 D37 V39R8-N41 PolarHBondContact NE-O 3.08Å; D37-N41 VanDerWaalsContact O-CB 3.31Å; D37-N41 WeakPolarHBondContact O-CB 3.31Å; D37-N41 PolarHBondContact O-N 2.84Å; D37-N41 VanDerWaalsContact O-N 3.16Å; D37-N41 PolarHBondContact O-ND2 3.16Å; V39-N41 VanDerWaalsContact C-N 3.26Å; V39-N41 PolarHBondContact O-N 3.06Å
42N91.3Very high92.4Very high25 Ų2555.7 Ų55.713%0.13428%0.283CS..Hα-helixtrans-111.6-15.9-167.1-56.7-73.6000114.3R8 W9 L38 V39 L100R8-N42 WeakPolarHBondContact CA-O 3.47Å; R8-N42 VanDerWaalsContact CB-O 3.3Å; R8-N42 WeakPolarHBondContact CB-O 3.39Å; W9-N42 PolarHBondContact N-O 3.49Å; L38-N42 WeakPolarHBondContact O-CB 3.46Å; L38-N42 PolarHBondContact O-N 3.25Å; L38-N42 PolarHBondContact O-ND2 3.33Å; V39-N42 PolarHBondContact O-N 3.48Å; N42-L100 HydrophobicContact CB-CD1 3.9Å; N42-L100 HydrophobicContact CB-CD2 3.99Å
43F94.5Very high92.3Very high6 Ų657.3 Ų57.33%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-123.9151.4-171.1-59.1-95000112.5W9 M11 V39 I72 I96 F99 L100W9-F43 HydrophobicContact CB-CD1 3.36Å; W9-F43 HydrophobicContact CB-CE1 3.4Å; W9-F43 VanDerWaalsContact CB-CE1 3.4Å; W9-F43 HydrophobicContact CB-CG 4.28Å; W9-F43 HydrophobicContact CB-CZ 4.38Å; W9-F43 HydrophobicContact CG-CD1 4.44Å; W9-F43 HydrophobicContact CG-CE1 4.08Å; W9-F43 CarbonylContact O-C 3.57Å; W9-F43 VanDerWaalsContact O-CA 3.22Å; W9-F43 WeakPolarHBondContact O-CA 3.48Å; M11-F43 HydrophobicContact CB-CB 4.05Å; M11-F43 HydrophobicContact CB-CD1 3.83Å; M11-F43 HydrophobicContact CB-CG 4.15Å; M11-F43 HydrophobicContact CE-CD1 3.86Å; M11-F43 HydrophobicContact CE-CD2 4.03Å; M11-F43 HydrophobicContact CE-CE1 3.96Å; M11-F43 HydrophobicContact CE-CE2 4.1Å; M11-F43 HydrophobicContact CE-CG 3.91Å; M11-F43 HydrophobicContact CE-CZ 4.08Å; V39-F43 HydrophobicContact CG1-CB 4.39Å; V39-F43 WeakPolarHBondContact O-CA 3.35Å; V39-F43 WeakPolarHBondContact O-CB 3.31Å; V39-F43 PolarHBondContact O-N 2.69Å; F43-I72 HydrophobicContact CD1-CG1 4.43Å; F43-I72 HydrophobicContact CE1-CB 4.46Å; F43-I72 HydrophobicContact CE1-CD1 3.52Å; F43-I72 HydrophobicContact CE1-CG1 3.64Å; F43-I72 HydrophobicContact CE1-CG2 4Å; F43-I72 HydrophobicContact CZ-CD1 3.7Å; F43-I72 HydrophobicContact CZ-CG1 4.31Å; F43-I96 HydrophobicContact CE2-CG2 3.7Å; F43-I96 HydrophobicContact CZ-CG2 4.02Å; F43-F99 HydrophobicContact CZ-CD1 4.37Å; F43-L100 HydrophobicContact CE2-CD1 4.19Å; F43-L100 HydrophobicContact CE2-CD2 4.34Å; F43-L100 HydrophobicContact CZ-CD2 4.11Å; F43-L100 HydrophobicContact CZ-CG 4.41Å
44V92.2Very high91.9Very high24 Ų2454.4 Ų54.415%0.14528%0.28CS..EExtended strand (participates in β ladder)trans-92.5116.3152.3173.60000106.6E2 A3 R8 W9 L10 M11E2-V44 HydrophobicContact CG-CG2 4.34Å; A3-V44 HydrophobicContact CB-CB 3.9Å; A3-V44 HydrophobicContact CB-CG2 3.75Å; R8-V44 HydrophobicContact CB-CG2 4.37Å; W9-V44 PolarHBondContact O-N 3.27Å; L10-V44 HydrophobicContact CD1-CB 4.46Å; L10-V44 HydrophobicContact CD1-CG1 4.33Å; M11-V44 PolarHBondContact N-O 2.99Å
45F94.3Very high91.7Very high73 Ų7353.9 Ų53.932%0.3228%0.276SS..EExtended strand (participates in β ladder)trans-87.7117.1-178.9-169.9-107.6000110.3M11 N13 W30 V39 Q47M11-F45 HydrophobicContact CB-CD2 4.07Å; M11-F45 HydrophobicContact CG-CD2 3.88Å; M11-F45 HydrophobicContact CG-CE2 4.08Å; M11-F45 HydrophobicContact SD-CD2 3.75Å; M11-F45 HydrophobicContact SD-CE2 3.8Å; N13-F45 HydrophobicContact CB-CE1 4.3Å; N13-F45 HydrophobicContact CB-CE2 3.84Å; N13-F45 HydrophobicContact CB-CZ 3.53Å; N13-F45 WeakPolarHBondContact ND2-CZ 3.46Å; W30-F45 HydrophobicContact CD2-CZ 4.24Å; W30-F45 AromaticContact CE2-CZ 3.66Å; W30-F45 AromaticContact CH2-CE2 3.56Å; W30-F45 HydrophobicContact CH2-CE2 3.56Å; W30-F45 AromaticContact CH2-CZ 3.98Å; W30-F45 HydrophobicContact CH2-CZ 3.98Å; W30-F45 AromaticContact CZ2-CE2 3.6Å; W30-F45 HydrophobicContact CZ2-CE2 3.6Å; W30-F45 AromaticContact CZ2-CZ 3.54Å; W30-F45 HydrophobicContact CZ2-CZ 3.54Å; W30-F45 HydrophobicContact CZ3-CE2 4.04Å; W30-F45 HydrophobicContact CZ3-CZ 4.45Å; W30-F45 AromaticContact NE1-CZ 3.98Å; V39-F45 HydrophobicContact CG1-CB 4.05Å; V39-F45 HydrophobicContact CG1-CD2 3.96Å; V39-F45 HydrophobicContact CG1-CG 4.26Å; F45-Q47 HydrophobicContact CD1-CB 4.32Å; F45-Q47 HydrophobicContact CE1-CB 3.84Å
46Y95.5Very high91.4Very high96 Ų9659.7 Ų59.738%0.37630%0.303SS..EExtended strand (participates in β ladder)trans-114.996.4-178.8-174-124000110.7M11 I12 N13 V48 A54 L58M11-Y46 PolarHBondContact O-N 2.82Å; I12-Y46 WeakPolarHBondContact CA-O 3.34Å; N13-Y46 PolarHBondContact N-O 2.97Å; Y46-V48 HydrophobicContact CD1-CG1 4.3Å; Y46-V48 HydrophobicContact CE1-CG1 3.63Å; Y46-V48 HydrophobicContact CE2-CG1 3.96Å; Y46-V48 VanDerWaalsContact CZ-CG1 3.42Å; Y46-V48 WeakPolarHBondContact OH-CG1 3.41Å; Y46-A54 WeakPolarHBondContact OH-CB 3.47Å; Y46-L58 HydrophobicContact CD1-CD1 4.09Å; Y46-L58 HydrophobicContact CE1-CD1 3.73Å
47Q94.9Very high91Very high83 Ų8360.5 Ų60.539%0.38831%0.306SS..EExtended strand (participates in β ladder)trans-94.8131.8177.8-179167.5-42.100111.6N13 F45N13-Q47 HydrophobicContact CB-CB 4.35Å; N13-Q47 HydrophobicContact CB-CG 4.47Å; N13-Q47 PolarHBondContact ND2-OE1 3.05Å; N13-Q47 CarbonylContact O-C 3.55Å; N13-Q47 VanDerWaalsContact O-CA 3.28Å; N13-Q47 WeakPolarHBondContact O-CA 3.49Å; F45-Q47 HydrophobicContact CD1-CB 4.32Å; F45-Q47 HydrophobicContact CE1-CB 3.84Å
48V93.3Very high90.8Very high14 Ų1457.5 Ų57.59%0.08529%0.29CS..EExtended strand (participates in β ladder)trans-140.2154.1175.9-69.90000111.4N13 I14 Q15 Y46 A54 L58N13-V48 PolarHBondContact O-N 3.14Å; I14-V48 WeakPolarHBondContact CA-O 3.25Å; I14-V48 HydrophobicContact CB-CG2 4.39Å; I14-V48 HydrophobicContact CG1-CG2 3.97Å; I14-V48 HydrophobicContact CG2-CG2 4.24Å; Q15-V48 PolarHBondContact N-O 3.38Å; Y46-V48 HydrophobicContact CD1-CG1 4.3Å; Y46-V48 HydrophobicContact CE1-CG1 3.63Å; Y46-V48 HydrophobicContact CE2-CG1 3.96Å; Y46-V48 VanDerWaalsContact CZ-CG1 3.42Å; Y46-V48 WeakPolarHBondContact OH-CG1 3.41Å; V48-A54 HydrophobicContact CG1-CB 4.01Å; V48-L58 HydrophobicContact CG2-CD1 3.79Å
49F95.2Very high90.4Very high99 Ų9957.6 Ų57.643%0.43429%0.292SS..EExtended strand (participates in β ladder)trans-85.1141.9167.7-64.7-60.5000110.7Q15 P17 T51 S52 G55Q15-F49 HydrophobicContact CB-CD1 4.3Å; Q15-F49 CarbonylContact O-C 3.52Å; Q15-F49 VanDerWaalsContact O-CA 3.3Å; Q15-F49 WeakPolarHBondContact O-CA 3.25Å; P17-F49 HydrophobicContact CG-CD1 3.77Å; P17-F49 HydrophobicContact CG-CE1 3.97Å; P17-F49 HydrophobicContact CG-CG 4.46Å; F49-T51 PolarHBondContact O-N 3Å; F49-T51 VanDerWaalsContact O-N 3.17Å; F49-S52 WeakPolarHBondContact O-CB 3.4Å; F49-S52 PolarHBondContact O-N 2.82Å; F49-S52 PolarHBondContact O-OG 3.48Å; F49-G55 WeakPolarHBondContact O-CA 3.22Å
50K93.1Very high89.7Confident72 Ų7259.5 Ų59.531%0.31331%0.314SS..THydrogen-bonded Turntrans-45.5-43.7171171-170.1179.9173.60112.2I14 Q15 D16 S52 H56 F67I14-K50 HydrophobicContact CG2-CB 4.41Å; Q15-K50 PolarHBondContact O-N 2.91Å; D16-K50 HydrophobicContact CB-CB 4.37Å; D16-K50 HydrophobicContact CB-CD 3.95Å; D16-K50 WeakPolarHBondContact OD2-CD 3.41Å; D16-K50 IonicContact OD2-NZ 2.78Å; D16-K50 PolarHBondContact OD2-NZ 2.82Å; K50-S52 VanDerWaalsContact C-N 3.27Å; K50-S52 PolarHBondContact O-N 3.42Å; K50-H56 PolarHBondContact O-CE1 2.91Å; K50-H56 PolarHBondContact O-N 2.92Å; K50-H56 PolarHBondContact O-ND1 3.45Å; K50-F67 HydrophobicContact CB-CD1 4.35Å; K50-F67 HydrophobicContact CB-CE1 3.83Å; K50-F67 HydrophobicContact CB-CZ 4.06Å; K50-F67 HydrophobicContact CD-CD2 4.1Å; K50-F67 HydrophobicContact CD-CE1 4.09Å; K50-F67 HydrophobicContact CD-CE2 3.54Å; K50-F67 HydrophobicContact CD-CZ 3.53Å; K50-F67 HydrophobicContact CG-CE1 3.96Å; K50-F67 HydrophobicContact CG-CE2 4.2Å; K50-F67 HydrophobicContact CG-CZ 3.64Å
51T91.6Very high89.3Confident95 Ų9561.4 Ų61.458%0.58331%0.312SS*.THydrogen-bonded Turntrans-74.7-11.6-176.853.40000114.2F49 H56F49-T51 PolarHBondContact O-N 3Å; F49-T51 VanDerWaalsContact O-N 3.17Å; T51-H56 VanDerWaalsContact C-CE1 3.5Å; T51-H56 PolarHBondContact O-CE1 3.47Å; T51-H56 VanDerWaalsContact O-CE1 3.23Å; T51-H56 PolarHBondContact O-ND1 3.38Å
52S91.6Very high89Confident29 Ų2959.9 Ų59.920%0.20330%0.302CS..SBendtrans-75.4155.7177.572.90000111.5F49 K50 A54 G55 H56F49-S52 WeakPolarHBondContact O-CB 3.4Å; F49-S52 PolarHBondContact O-N 2.82Å; F49-S52 PolarHBondContact O-OG 3.48Å; K50-S52 VanDerWaalsContact C-N 3.27Å; K50-S52 PolarHBondContact O-N 3.42Å; S52-A54 PolarHBondContact O-N 3.05Å; S52-G55 PolarHBondContact O-N 2.78Å; S52-G55 VanDerWaalsContact O-N 3.12Å; S52-G55 PolarHBondContact OG-N 2.95Å; S52-H56 PolarHBondContact O-N 2.91Å; S52-H56 PolarHBondContact O-ND1 3.27Å
53P89.1Confident88.7Confident98 Ų9865.4 Ų65.464%0.63633%0.332SS*.Hα-helixtrans-57-33.9173.9-27.235.3000113.5R57P53-R57 WeakPolarHBondContact O-CG 3.41Å; P53-R57 PolarHBondContact O-N 3.45Å; P53-R57 PolarHBondContact O-NH1 3.31Å
54A85.1Confident88.3Confident15 Ų1565.8 Ų65.812%0.12433%0.334CS..Hα-helixtrans-70.5-43.4175.100000112Y46 V48 S52 R57 L58Y46-A54 WeakPolarHBondContact OH-CB 3.47Å; V48-A54 HydrophobicContact CG1-CB 4.01Å; S52-A54 PolarHBondContact O-N 3.05Å; A54-R57 PolarHBondContact O-N 2.9Å; A54-L58 WeakPolarHBondContact O-CG 3.49Å; A54-L58 PolarHBondContact O-N 3.07Å
55G86.4Confident88.3Confident0 Ų070.9 Ų70.90%036%0.361CS..Hα-helixtrans-57-49.5174.800000112.3F49 S52 R57 L58 C59F49-G55 WeakPolarHBondContact O-CA 3.22Å; S52-G55 PolarHBondContact O-N 2.78Å; S52-G55 VanDerWaalsContact O-N 3.12Å; S52-G55 PolarHBondContact OG-N 2.95Å; G55-R57 VanDerWaalsContact C-N 3.34Å; G55-R57 PolarHBondContact O-N 3.24Å; G55-L58 PolarHBondContact O-N 3.5Å; G55-L58 VanDerWaalsContact O-N 3.16Å; G55-C59 PolarHBondContact O-N 2.99Å; G55-C59 PolarHBondContact O-SG 2.75Å; G55-C59 VanDerWaalsContact O-SG 3.34Å
56H87.1Confident88.2Confident121 Ų12171.1 Ų71.156%0.5637%0.368SS*.Hα-helixtrans-56.7-45177-74.590.6000112.7K50 T51 S52 C59 G60K50-H56 PolarHBondContact O-CE1 2.91Å; K50-H56 PolarHBondContact O-N 2.92Å; K50-H56 PolarHBondContact O-ND1 3.45Å; T51-H56 VanDerWaalsContact C-CE1 3.5Å; T51-H56 PolarHBondContact O-CE1 3.47Å; T51-H56 VanDerWaalsContact O-CE1 3.23Å; T51-H56 PolarHBondContact O-ND1 3.38Å; S52-H56 PolarHBondContact O-N 2.91Å; S52-H56 PolarHBondContact O-ND1 3.27Å; H56-C59 PolarHBondContact O-N 2.81Å; H56-G60 PolarHBondContact O-N 2.93Å
57R83.4Confident88.1Confident166 Ų16667.7 Ų67.763%0.62636%0.355SS*.Hα-helixtrans-63.1-42.8177.3-71.4-169.6-53.7-92.83.7112P53 A54 G55 G60 Y61P53-R57 WeakPolarHBondContact O-CG 3.41Å; P53-R57 PolarHBondContact O-N 3.45Å; P53-R57 PolarHBondContact O-NH1 3.31Å; A54-R57 PolarHBondContact O-N 2.9Å; G55-R57 VanDerWaalsContact C-N 3.34Å; G55-R57 PolarHBondContact O-N 3.24Å; R57-G60 PolarHBondContact O-N 3.32Å; R57-Y61 VanDerWaalsContact O-CB 3.25Å; R57-Y61 WeakPolarHBondContact O-CB 3.36Å; R57-Y61 PolarHBondContact O-N 2.88Å
58L84.2Confident88.2Confident28 Ų2864.3 Ų64.315%0.14734%0.341CS..Hα-helixtrans-68-40.8179.1-73.9175.5000112.3I12 I14 Y46 V48 A54 G55 G60 Y61 Y62I12-L58 HydrophobicContact CD1-CD1 4.46Å; I12-L58 HydrophobicContact CD1-CD2 3.86Å; I12-L58 HydrophobicContact CG2-CD1 3.79Å; I14-L58 HydrophobicContact CD1-CB 3.7Å; I14-L58 HydrophobicContact CD1-CD1 4.46Å; Y46-L58 HydrophobicContact CD1-CD1 4.09Å; Y46-L58 HydrophobicContact CE1-CD1 3.73Å; V48-L58 HydrophobicContact CG2-CD1 3.79Å; A54-L58 WeakPolarHBondContact O-CG 3.49Å; A54-L58 PolarHBondContact O-N 3.07Å; G55-L58 PolarHBondContact O-N 3.5Å; G55-L58 VanDerWaalsContact O-N 3.16Å; L58-G60 VanDerWaalsContact C-N 3.33Å; L58-G60 PolarHBondContact O-N 3.16Å; L58-Y61 PolarHBondContact O-N 3.42Å; L58-Y62 HydrophobicContact CD2-CD2 4.06Å; L58-Y62 HydrophobicContact CD2-CE2 3.75Å; L58-Y62 PolarHBondContact O-N 3.49Å
59C84.3Confident88.3Confident20 Ų2064 Ų6414%0.13534%0.338CS..Hα-helixtrans-59.8-44.2174.6-710000111.6G55 H56 N63 V64G55-C59 PolarHBondContact O-N 2.99Å; G55-C59 PolarHBondContact O-SG 2.75Å; G55-C59 VanDerWaalsContact O-SG 3.34Å; H56-C59 PolarHBondContact O-N 2.81Å; C59-N63 CarbonylContact O-C 3.52Å; C59-N63 VanDerWaalsContact O-CA 3.28Å; C59-N63 WeakPolarHBondContact O-CA 3.47Å; C59-N63 PolarHBondContact O-N 2.93Å; C59-V64 HydrophobicContact CB-CB 4.35Å; C59-V64 PolarHBondContact O-N 3.23Å
60G76.6Confident88.4Confident54 Ų5459.4 Ų59.456%0.55732%0.318SS*.Hα-helixtrans-67.5-39.6175.100000113.2H56 R57 L58H56-G60 PolarHBondContact O-N 2.93Å; R57-G60 PolarHBondContact O-N 3.32Å; L58-G60 VanDerWaalsContact C-N 3.33Å; L58-G60 PolarHBondContact O-N 3.16Å
61Y81.1Confident88.4Confident103 Ų10356 Ų5640%0.40430%0.303SS..Hα-helixtrans-72.4-34.4-176.4-172.9-94.2000113.3R57 L58 R220R57-Y61 VanDerWaalsContact O-CB 3.25Å; R57-Y61 WeakPolarHBondContact O-CB 3.36Å; R57-Y61 PolarHBondContact O-N 2.88Å; L58-Y61 PolarHBondContact O-N 3.42Å; Y61-R220 PolarHBondContact OH-NH2 2.98Å; Y61-R220 VanDerWaalsContact OH-NH2 3.1Å
62Y83.9Confident88.4Confident37 Ų3751.5 Ų51.515%0.14528%0.276CS..THydrogen-bonded Turntrans-108.611.8-179-65.2-63.8000113.8I12 L58 V64 V73 G78 F80I12-Y62 HydrophobicContact CD1-CD2 4.36Å; I12-Y62 HydrophobicContact CD1-CE2 3.64Å; L58-Y62 HydrophobicContact CD2-CD2 4.06Å; L58-Y62 HydrophobicContact CD2-CE2 3.75Å; L58-Y62 PolarHBondContact O-N 3.49Å; Y62-V64 VanDerWaalsContact C-N 3.34Å; Y62-V64 PolarHBondContact O-N 3.47Å; Y62-V73 HydrophobicContact CE1-CG2 4.17Å; Y62-V73 HydrophobicContact CE2-CG2 4.18Å; Y62-V73 VanDerWaalsContact OH-CG1 3.26Å; Y62-V73 WeakPolarHBondContact OH-CG1 3.44Å; Y62-G78 WeakPolarHBondContact CE1-O 3.39Å; Y62-G78 PolarHBondContact OH-O 2.92Å; Y62-F80 HydrophobicContact CD1-CB 3.78Å; Y62-F80 HydrophobicContact CD1-CD2 4.18Å; Y62-F80 HydrophobicContact CD1-CG 4.3Å; Y62-F80 HydrophobicContact CE1-CB 3.77Å; Y62-F80 HydrophobicContact CE1-CD2 4.46Å
63N84.8Confident88.2Confident141 Ų14150.1 Ų50.175%0.75427%0.266SS*.THydrogen-bonded Turntrans50.648.3-178.5-61.1-35.5000113.4C59C59-N63 CarbonylContact O-C 3.52Å; C59-N63 VanDerWaalsContact O-CA 3.28Å; C59-N63 WeakPolarHBondContact O-CA 3.47Å; C59-N63 PolarHBondContact O-N 2.93Å
64V87.3Confident87.9Confident14 Ų1445.5 Ų45.59%0.08524%0.236CC..  trans-91.8119.6-177.8-177.10000110.7I14 C59 Y62 T66 F67 F69I14-V64 HydrophobicContact CD1-CG2 4.3Å; C59-V64 HydrophobicContact CB-CB 4.35Å; C59-V64 PolarHBondContact O-N 3.23Å; Y62-V64 VanDerWaalsContact C-N 3.34Å; Y62-V64 PolarHBondContact O-N 3.47Å; V64-T66 WeakPolarHBondContact CG1-O 3.44Å; V64-F67 HydrophobicContact CG1-CE1 4.06Å; V64-F67 HydrophobicContact CG1-CZ 4.35Å; V64-F69 HydrophobicContact CB-CD2 4.3Å; V64-F69 HydrophobicContact CB-CG 4.36Å; V64-F69 HydrophobicContact CG1-CB 3.47Å; V64-F69 VanDerWaalsContact CG1-CB 3.47Å; V64-F69 HydrophobicContact CG1-CD1 4.43Å; V64-F69 HydrophobicContact CG1-CD2 3.76Å; V64-F69 HydrophobicContact CG1-CG 3.64Å; V64-F69 HydrophobicContact CG2-CB 4.48Å; V64-F69 HydrophobicContact CG2-CD1 3.93Å; V64-F69 HydrophobicContact CG2-CD2 3.57Å; V64-F69 HydrophobicContact CG2-CE1 3.92Å; V64-F69 HydrophobicContact CG2-CE2 3.57Å; V64-F69 HydrophobicContact CG2-CG 3.73Å; V64-F69 HydrophobicContact CG2-CZ 3.71Å
65D91Very high87.7Confident131 Ų13146.1 Ų46.170%0.70124%0.239SC*.  trans-119.4-13.1176.960.8-4.3000113.7
66T92Very high87.1Confident78 Ų7848.1 Ų48.148%0.47925%0.246SC..SBendtrans-114.9144.5-178.249.10000111.9V64V64-T66 WeakPolarHBondContact CG1-O 3.44Å
67F94.4Very high86.5Confident23 Ų2342.9 Ų42.910%0.10122%0.223CC..SBendtrans-133.2143.7-175.7-53-86000111.6I14 D16 E19 K50 V64I14-F67 HydrophobicContact CB-CD1 4.42Å; I14-F67 HydrophobicContact CB-CE1 4.36Å; I14-F67 HydrophobicContact CG2-CD1 4.06Å; I14-F67 HydrophobicContact CG2-CE1 3.71Å; D16-F67 HydrophobicContact CB-CB 3.96Å; D16-F67 HydrophobicContact CB-CD1 4.45Å; D16-F67 HydrophobicContact CB-CD2 4.11Å; D16-F67 HydrophobicContact CB-CG 3.9Å; E19-F67 HydrophobicContact CG-CB 4.16Å; K50-F67 HydrophobicContact CB-CD1 4.35Å; K50-F67 HydrophobicContact CB-CE1 3.83Å; K50-F67 HydrophobicContact CB-CZ 4.06Å; K50-F67 HydrophobicContact CD-CD2 4.1Å; K50-F67 HydrophobicContact CD-CE1 4.09Å; K50-F67 HydrophobicContact CD-CE2 3.54Å; K50-F67 HydrophobicContact CD-CZ 3.53Å; K50-F67 HydrophobicContact CG-CE1 3.96Å; K50-F67 HydrophobicContact CG-CE2 4.2Å; K50-F67 HydrophobicContact CG-CZ 3.64Å; V64-F67 HydrophobicContact CG1-CE1 4.06Å; V64-F67 HydrophobicContact CG1-CZ 4.35Å
68P96.4Very high86.2Confident13 Ų1335.9 Ų35.98%0.08420%0.202CC..SBendcis-68.2149.7-0.629.7-34.4000111.2I14 C22 L25 N85I14-P68 WeakPolarHBondContact O-CA 3.47Å; C22-P68 HydrophobicContact CB-CB 4.5Å; L25-P68 HydrophobicContact CB-CG 4.07Å; L25-P68 HydrophobicContact CD1-CB 4.2Å; L25-P68 HydrophobicContact CD1-CG 3.79Å; L25-P68 HydrophobicContact CD2-CB 4.18Å; L25-P68 HydrophobicContact CD2-CG 4.43Å; L25-P68 HydrophobicContact CG-CG 4.33Å; P68-N85 PolarHBondContact O-ND2 2.8Å
69F95.6Very high86Confident7 Ų736.4 Ų36.43%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-109.5121168.5171-92.6000108.5N13 I14 V64 F80 Q83N13-F69 CarbonylContact C-O 3.55Å; N13-F69 VanDerWaalsContact CA-O 3.31Å; N13-F69 WeakPolarHBondContact CA-O 3.31Å; I14-F69 HydrophobicContact CB-CB 4.24Å; I14-F69 HydrophobicContact CD1-CD1 3.81Å; I14-F69 HydrophobicContact CD1-CE1 4.37Å; I14-F69 HydrophobicContact CG1-CD1 3.96Å; I14-F69 PolarHBondContact N-O 2.81Å; I14-F69 PolarHBondContact O-N 3.2Å; V64-F69 HydrophobicContact CB-CD2 4.3Å; V64-F69 HydrophobicContact CB-CG 4.36Å; V64-F69 HydrophobicContact CG1-CB 3.47Å; V64-F69 VanDerWaalsContact CG1-CB 3.47Å; V64-F69 HydrophobicContact CG1-CD1 4.43Å; V64-F69 HydrophobicContact CG1-CD2 3.76Å; V64-F69 HydrophobicContact CG1-CG 3.64Å; V64-F69 HydrophobicContact CG2-CB 4.48Å; V64-F69 HydrophobicContact CG2-CD1 3.93Å; V64-F69 HydrophobicContact CG2-CD2 3.57Å; V64-F69 HydrophobicContact CG2-CE1 3.92Å; V64-F69 HydrophobicContact CG2-CE2 3.57Å; V64-F69 HydrophobicContact CG2-CG 3.73Å; V64-F69 HydrophobicContact CG2-CZ 3.71Å; F69-F80 HydrophobicContact CE1-CE2 4.31Å; F69-F80 HydrophobicContact CE2-CE2 4.01Å; F69-F80 HydrophobicContact CE2-CZ 4.16Å; F69-F80 HydrophobicContact CZ-CD2 4.11Å; F69-F80 AromaticContact CZ-CE2 3.39Å; F69-F80 HydrophobicContact CZ-CE2 3.39Å; F69-F80 HydrophobicContact CZ-CZ 4.01Å; F69-Q83 HydrophobicContact CD2-CG 4.35Å; F69-Q83 HydrophobicContact CE2-CG 4.19Å
70V96.4Very high85.9Confident3 Ų338.7 Ų38.72%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-120.7121.5173.7-172.90000108.4M11 I12 L25 W30 L84 N85M11-V70 HydrophobicContact CG-CG1 4.11Å; M11-V70 HydrophobicContact SD-CG1 4.16Å; I12-V70 CarbonylContact O-C 3.58Å; I12-V70 VanDerWaalsContact O-CA 3.3Å; I12-V70 WeakPolarHBondContact O-CA 3.49Å; L25-V70 HydrophobicContact CD1-CG2 3.8Å; L25-V70 HydrophobicContact CD2-CG2 4.45Å; W30-V70 HydrophobicContact CH2-CG1 3.91Å; W30-V70 HydrophobicContact CH2-CG2 4.36Å; W30-V70 HydrophobicContact CZ2-CG1 4.27Å; W30-V70 HydrophobicContact CZ2-CG2 3.96Å; V70-L84 HydrophobicContact CB-CB 4.14Å; V70-L84 HydrophobicContact CG1-CB 3.9Å; V70-L84 HydrophobicContact CG1-CD1 4.17Å; V70-L84 PolarHBondContact O-N 2.91Å; V70-N85 PolarHBondContact N-OD1 3.29Å; V70-N85 PolarHBondContact O-OD1 2.8Å
71G93.3Very high86.5Confident0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-139.6142.6-173.800000112.8M11 I12 I82M11-G71 CarbonylContact C-O 3.59Å; M11-G71 WeakPolarHBondContact CA-O 3.28Å; I12-G71 PolarHBondContact N-O 3Å; I12-G71 PolarHBondContact O-N 3.49Å; G71-I82 WeakPolarHBondContact CA-O 3.25Å
72I93.3Very high86.9Confident0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-93.4133.5169.6-64172.3000109.3W9 M11 F43 M81 I82 L84 F99W9-I72 HydrophobicContact CB-CG2 4.21Å; W9-I72 HydrophobicContact CD2-CG2 4.48Å; W9-I72 HydrophobicContact CE3-CG2 4.28Å; W9-I72 HydrophobicContact CG-CG2 4.46Å; M11-I72 HydrophobicContact CE-CG1 4.38Å; F43-I72 HydrophobicContact CD1-CG1 4.43Å; F43-I72 HydrophobicContact CE1-CB 4.46Å; F43-I72 HydrophobicContact CE1-CD1 3.52Å; F43-I72 HydrophobicContact CE1-CG1 3.64Å; F43-I72 HydrophobicContact CE1-CG2 4Å; F43-I72 HydrophobicContact CZ-CD1 3.7Å; F43-I72 HydrophobicContact CZ-CG1 4.31Å; I72-M81 HydrophobicContact CB-CB 4.39Å; I72-M81 HydrophobicContact CG2-CB 4.2Å; I72-M81 HydrophobicContact CG2-CG 4.31Å; I72-M81 WeakPolarHBondContact O-CB 3.25Å; I72-M81 PolarHBondContact O-N 2.99Å; I72-I82 HydrophobicContact CB-CG1 4.1Å; I72-I82 HydrophobicContact CD1-CD1 3.98Å; I72-I82 HydrophobicContact CD1-CG1 3.89Å; I72-I82 HydrophobicContact CG1-CG1 4.26Å; I72-I82 PolarHBondContact N-O 2.85Å; I72-L84 HydrophobicContact CD1-CD1 3.83Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I72-L84 HydrophobicContact CD1-CG 4.29Å; I72-L84 HydrophobicContact CG1-CD1 3.85Å; I72-L84 HydrophobicContact CG1-CG 4.34Å; I72-F99 HydrophobicContact CB-CZ 4.43Å; I72-F99 HydrophobicContact CD1-CB 4.4Å; I72-F99 HydrophobicContact CD1-CD1 3.63Å; I72-F99 HydrophobicContact CD1-CD2 4.3Å; I72-F99 HydrophobicContact CD1-CE1 3.97Å; I72-F99 HydrophobicContact CD1-CG 3.82Å; I72-F99 HydrophobicContact CD1-CZ 4.45Å; I72-F99 HydrophobicContact CG2-CD1 4.44Å; I72-F99 HydrophobicContact CG2-CE1 3.68Å; I72-F99 HydrophobicContact CG2-CE2 4.07Å; I72-F99 HydrophobicContact CG2-CZ 3.48Å; I72-F99 VanDerWaalsContact CG2-CZ 3.48Å
73V86.1Confident87.3Confident1 Ų138 Ų381%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-128.4137.9-178.3170.70000110.1L10 I12 Y62 P75 Q79 F80L10-V73 HydrophobicContact CB-CB 4.2Å; L10-V73 WeakPolarHBondContact CB-O 3.09Å; L10-V73 HydrophobicContact CD2-CB 4.29Å; L10-V73 HydrophobicContact CD2-CG1 4.18Å; L10-V73 HydrophobicContact CG-CB 4.48Å; L10-V73 PolarHBondContact N-O 3.5Å; L10-V73 PolarHBondContact O-N 2.74Å; I12-V73 HydrophobicContact CD1-CB 4.33Å; I12-V73 HydrophobicContact CD1-CG2 3.67Å; I12-V73 HydrophobicContact CG1-CG2 4.15Å; Y62-V73 HydrophobicContact CE1-CG2 4.17Å; Y62-V73 HydrophobicContact CE2-CG2 4.18Å; Y62-V73 VanDerWaalsContact OH-CG1 3.26Å; Y62-V73 WeakPolarHBondContact OH-CG1 3.44Å; V73-P75 WeakPolarHBondContact O-CD 3.38Å; V73-Q79 CarbonylContact C-O 3.49Å; V73-Q79 VanDerWaalsContact CA-O 3.23Å; V73-Q79 WeakPolarHBondContact CA-O 3.43Å; V73-Q79 WeakPolarHBondContact CG1-O 3.4Å; V73-F80 HydrophobicContact CG2-CD2 4.34Å
74D84.4Confident87.6Confident0 Ų031.5 Ų31.50%017%0.166CC..  trans-70.5115.8167179-11.4000109.2W9 R76 T77 G78 Q79 M81 Q277W9-D74 HydrophobicContact CZ3-CB 3.85Å; D74-R76 PolarHBondContact O-N 2.99Å; D74-R76 WeakPolarHBondContact OD1-CB 3.49Å; D74-R76 IonicContact OD1-CZ 2.79Å; D74-R76 PolarHBondContact OD1-N 2.91Å; D74-R76 IonicContact OD1-NE 2.84Å; D74-R76 PolarHBondContact OD1-NE 3.27Å; D74-R76 VanDerWaalsContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 3.26Å; D74-R76 IonicContact OD2-CZ 3.59Å; D74-R76 IonicContact OD2-NE 3.43Å; D74-R76 PolarHBondContact OD2-NE 2.89Å; D74-R76 IonicContact OD2-NH2 3.41Å; D74-R76 PolarHBondContact OD2-NH2 3.47Å; D74-T77 VanDerWaalsContact CB-OG1 3.28Å; D74-T77 WeakPolarHBondContact CB-OG1 3.35Å; D74-T77 VanDerWaalsContact CG-OG1 3.31Å; D74-T77 PolarHBondContact O-N 2.94Å; D74-T77 WeakPolarHBondContact OD2-CG2 3.3Å; D74-T77 PolarHBondContact OD2-OG1 2.79Å; D74-G78 VanDerWaalsContact O-CA 3.32Å; D74-G78 WeakPolarHBondContact O-CA 3.38Å; D74-G78 PolarHBondContact O-N 3.35Å; D74-Q79 HydrophobicContact CB-CB 4.4Å; D74-Q79 PolarHBondContact N-O 3.33Å; D74-M81 HydrophobicContact CB-SD 4.34Å; D74-Q277 PolarHBondContact OD2-OE1 3.46Å; D74-Q277 VanDerWaalsContact OD2-OE1 3.05Å
75P79.7Confident87.5Confident28 Ų2833.1 Ų33.118%0.18217%0.174CC..THydrogen-bonded Turntrans-67.6-14.9-176.831.7-40000114.4A3 R8 L10 V73 P106A3-P75 HydrophobicContact CB-CB 3.52Å; A3-P75 HydrophobicContact CB-CG 4.01Å; R8-P75 WeakPolarHBondContact O-CG 3.35Å; L10-P75 HydrophobicContact CB-CB 4.4Å; V73-P75 WeakPolarHBondContact O-CD 3.38Å; P75-P106 HydrophobicContact CG-CB 4.15Å; P75-P106 HydrophobicContact CG-CG 4.07Å
76R75Confident87.4Confident43 Ų4328.3 Ų28.316%0.16215%0.149CC..THydrogen-bonded Turntrans-85.1-39.8179.4-56.7168-61.5166.15111.2K4 D74 P106 S276K4-R76 HydrophobicContact CD-CG 4.3Å; K4-R76 HydrophobicContact CG-CG 4.23Å; D74-R76 PolarHBondContact O-N 2.99Å; D74-R76 WeakPolarHBondContact OD1-CB 3.49Å; D74-R76 IonicContact OD1-CZ 2.79Å; D74-R76 PolarHBondContact OD1-N 2.91Å; D74-R76 IonicContact OD1-NE 2.84Å; D74-R76 PolarHBondContact OD1-NE 3.27Å; D74-R76 VanDerWaalsContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 3.26Å; D74-R76 IonicContact OD2-CZ 3.59Å; D74-R76 IonicContact OD2-NE 3.43Å; D74-R76 PolarHBondContact OD2-NE 2.89Å; D74-R76 IonicContact OD2-NH2 3.41Å; D74-R76 PolarHBondContact OD2-NH2 3.47Å; R76-P106 PolarHBondContact NH1-O 3.38Å; R76-P106 PolarHBondContact NH2-O 3.21Å; R76-S276 PolarHBondContact NH1-OG 3.29Å; R76-S276 VanDerWaalsContact NH1-OG 3.12Å
77T73Confident87.2Confident11 Ų1129.9 Ų29.97%0.06716%0.159CC..THydrogen-bonded Turntrans-105-20.7-171.4650000112.5D74 Q79 I212 Q277 I279D74-T77 VanDerWaalsContact CB-OG1 3.28Å; D74-T77 WeakPolarHBondContact CB-OG1 3.35Å; D74-T77 VanDerWaalsContact CG-OG1 3.31Å; D74-T77 PolarHBondContact O-N 2.94Å; D74-T77 WeakPolarHBondContact OD2-CG2 3.3Å; D74-T77 PolarHBondContact OD2-OG1 2.79Å; T77-Q79 PolarHBondContact O-N 3.48Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.46Å; T77-Q79 PolarHBondContact OG1-N 3.29Å; T77-Q79 VanDerWaalsContact OG1-N 3.13Å; T77-I212 HydrophobicContact CG2-CD1 3.85Å; T77-Q277 HydrophobicContact CG2-CG 4.27Å; T77-I279 HydrophobicContact CG2-CD1 4.08Å; T77-I279 HydrophobicContact CG2-CG1 3.81Å; T77-I279 WeakPolarHBondContact O-CD1 3.32Å
78G77.7Confident87Confident18 Ų1831.5 Ų31.519%0.18617%0.169CC..  trans67.214.7-167.400000112.4Y62 D74Y62-G78 WeakPolarHBondContact CE1-O 3.39Å; Y62-G78 PolarHBondContact OH-O 2.92Å; D74-G78 VanDerWaalsContact O-CA 3.32Å; D74-G78 WeakPolarHBondContact O-CA 3.38Å; D74-G78 PolarHBondContact O-N 3.35Å
79Q79.4Confident86.8Confident39 Ų3931.3 Ų31.318%0.18217%0.168CC..  trans-66.1133.3175.2175.5174.1-400110V73 D74 T77 M81 I212V73-Q79 CarbonylContact C-O 3.49Å; V73-Q79 VanDerWaalsContact CA-O 3.23Å; V73-Q79 WeakPolarHBondContact CA-O 3.43Å; V73-Q79 WeakPolarHBondContact CG1-O 3.4Å; D74-Q79 HydrophobicContact CB-CB 4.4Å; D74-Q79 PolarHBondContact N-O 3.33Å; T77-Q79 PolarHBondContact O-N 3.48Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.46Å; T77-Q79 PolarHBondContact OG1-N 3.29Å; T77-Q79 VanDerWaalsContact OG1-N 3.13Å; Q79-M81 HydrophobicContact CG-SD 4.02Å; Q79-I212 HydrophobicContact CB-CD1 4.41Å
80F83.2Confident86.6Confident68 Ų6833.5 Ų33.530%0.29818%0.182SC..EExtended strand (participates in β ladder)trans-74.2124.1166.1-174.8-106.2000109.7Y62 F69 V73 I82 Q83Y62-F80 HydrophobicContact CD1-CB 3.78Å; Y62-F80 HydrophobicContact CD1-CD2 4.18Å; Y62-F80 HydrophobicContact CD1-CG 4.3Å; Y62-F80 HydrophobicContact CE1-CB 3.77Å; Y62-F80 HydrophobicContact CE1-CD2 4.46Å; F69-F80 HydrophobicContact CE1-CE2 4.31Å; F69-F80 HydrophobicContact CE2-CE2 4.01Å; F69-F80 HydrophobicContact CE2-CZ 4.16Å; F69-F80 HydrophobicContact CZ-CD2 4.11Å; F69-F80 AromaticContact CZ-CE2 3.39Å; F69-F80 HydrophobicContact CZ-CE2 3.39Å; F69-F80 HydrophobicContact CZ-CZ 4.01Å; V73-F80 HydrophobicContact CG2-CD2 4.34Å; F80-I82 WeakPolarHBondContact CZ-O 3.48Å; F80-Q83 HydrophobicContact CE1-CB 4.34Å; F80-Q83 HydrophobicContact CZ-CB 3.73Å; F80-Q83 HydrophobicContact CZ-CG 4.32Å
81M88.3Confident86.5Confident39 Ų3936.6 Ų36.619%0.19220%0.198CC..EExtended strand (participates in β ladder)trans-95.1-66.1-177.8-57.2-63.5-70.500110.2W9 I72 D74 Q79 F99W9-M81 HydrophobicContact CH2-CE 4.35Å; W9-M81 HydrophobicContact CZ3-CE 4.4Å; W9-M81 HydrophobicContact CZ3-CG 4.29Å; I72-M81 HydrophobicContact CB-CB 4.39Å; I72-M81 HydrophobicContact CG2-CB 4.2Å; I72-M81 HydrophobicContact CG2-CG 4.31Å; I72-M81 WeakPolarHBondContact O-CB 3.25Å; I72-M81 PolarHBondContact O-N 2.99Å; D74-M81 HydrophobicContact CB-SD 4.34Å; Q79-M81 HydrophobicContact CG-SD 4.02Å; M81-F99 HydrophobicContact CB-CE2 3.69Å; M81-F99 HydrophobicContact CB-CZ 4.2Å; M81-F99 HydrophobicContact CE-CE2 4.12Å; M81-F99 HydrophobicContact CE-CZ 4.42Å; M81-F99 HydrophobicContact CG-CE2 4.19Å; M81-F99 HydrophobicContact CG-CZ 4.28Å
82I89.7Confident86.4Confident55 Ų5536.7 Ų36.728%0.28220%0.199SC..EExtended strand (participates in β ladder)trans-145152.2-178.364.2165.3000112.1G71 I72 F80 L84 F99G71-I82 WeakPolarHBondContact CA-O 3.25Å; I72-I82 HydrophobicContact CB-CG1 4.1Å; I72-I82 HydrophobicContact CD1-CD1 3.98Å; I72-I82 HydrophobicContact CD1-CG1 3.89Å; I72-I82 HydrophobicContact CG1-CG1 4.26Å; I72-I82 PolarHBondContact N-O 2.85Å; F80-I82 WeakPolarHBondContact CZ-O 3.48Å; I82-L84 HydrophobicContact CD1-CD2 3.63Å; I82-L84 HydrophobicContact CD1-CG 4.47Å; I82-L84 HydrophobicContact CG1-CD2 4.22Å; I82-F99 HydrophobicContact CD1-CB 3.7Å; I82-F99 HydrophobicContact CD1-CD2 3.71Å; I82-F99 HydrophobicContact CD1-CG 3.89Å; I82-F99 HydrophobicContact CG1-CD2 3.87Å; I82-F99 HydrophobicContact CG1-CE2 4.41Å; I82-F99 HydrophobicContact CG1-CG 4.4Å; I82-F99 HydrophobicContact CG2-CD2 4.27Å
83Q92.7Very high86.4Confident87 Ų8737.5 Ų37.541%0.40720%0.204SC..EExtended strand (participates in β ladder)trans-95130.6170.1-159.2167.3-31.200110.6F69 F80 N85F69-Q83 HydrophobicContact CD2-CG 4.35Å; F69-Q83 HydrophobicContact CE2-CG 4.19Å; F80-Q83 HydrophobicContact CE1-CB 4.34Å; F80-Q83 HydrophobicContact CZ-CB 3.73Å; F80-Q83 HydrophobicContact CZ-CG 4.32Å; Q83-N85 HydrophobicContact CG-CB 4.37Å; Q83-N85 WeakPolarHBondContact CG-OD1 3.3Å; Q83-N85 PolarHBondContact NE2-ND2 3.45Å; Q83-N85 PolarHBondContact NE2-OD1 3.02Å
84L91.7Very high86.7Confident3 Ų342 Ų422%0.01623%0.225CC..  trans-103.45.7-175.9-67-179.3000114.1M11 V70 I72 I82 T86 K95 I96M11-L84 HydrophobicContact CE-CD1 3.65Å; M11-L84 HydrophobicContact SD-CD1 4.42Å; V70-L84 HydrophobicContact CB-CB 4.14Å; V70-L84 HydrophobicContact CG1-CB 3.9Å; V70-L84 HydrophobicContact CG1-CD1 4.17Å; V70-L84 PolarHBondContact O-N 2.91Å; I72-L84 HydrophobicContact CD1-CD1 3.83Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I72-L84 HydrophobicContact CD1-CG 4.29Å; I72-L84 HydrophobicContact CG1-CD1 3.85Å; I72-L84 HydrophobicContact CG1-CG 4.34Å; I82-L84 HydrophobicContact CD1-CD2 3.63Å; I82-L84 HydrophobicContact CD1-CG 4.47Å; I82-L84 HydrophobicContact CG1-CD2 4.22Å; L84-T86 WeakPolarHBondContact O-CG2 3.45Å; L84-T86 PolarHBondContact O-N 3.05Å; L84-K95 HydrophobicContact CD2-CB 3.62Å; L84-K95 HydrophobicContact CD2-CD 4.24Å; L84-I96 HydrophobicContact CD1-CD1 4.31Å; L84-I96 HydrophobicContact CD1-CG1 3.83Å; L84-I96 HydrophobicContact CD2-CG1 4.31Å
85N84Confident87.1Confident49 Ų4945.6 Ų45.626%0.26224%0.24SC..  trans-49.4119.3-178.2-71.836.5000111.6P68 V70 Q83 K95P68-N85 PolarHBondContact O-ND2 2.8Å; V70-N85 PolarHBondContact N-OD1 3.29Å; V70-N85 PolarHBondContact O-OD1 2.8Å; Q83-N85 HydrophobicContact CG-CB 4.37Å; Q83-N85 WeakPolarHBondContact CG-OD1 3.3Å; Q83-N85 PolarHBondContact NE2-ND2 3.45Å; Q83-N85 PolarHBondContact NE2-OD1 3.02Å; N85-K95 PolarHBondContact O-NZ 3.42Å
86T89.2Confident87.8Confident30 Ų3044.2 Ų44.218%0.18423%0.232CC..  trans-162.3153.2177.1-176.50000108.9L84 D88 C92L84-T86 WeakPolarHBondContact O-CG2 3.45Å; L84-T86 PolarHBondContact O-N 3.05Å; T86-D88 VanDerWaalsContact CG2-O 3.31Å; T86-D88 WeakPolarHBondContact CG2-O 3.25Å; T86-D88 PolarHBondContact OG1-N 3.31Å; T86-D88 VanDerWaalsContact OG1-N 3.14Å; T86-D88 PolarHBondContact OG1-O 3.32Å; T86-C92 HydrophobicContact CG2-CB 3.59Å
87T87.6Confident88.5Confident111 Ų11143 Ų4368%0.68123%0.231SC*.SBendtrans-101.50.1171.755.30000112.4
88D91.4Very high89.4Confident56 Ų5646.1 Ų46.130%0.29925%0.25SS..  trans-112.7122178.7-171.9-39.6000110.2I29 T86 V90 I91 C92I29-D88 VanDerWaalsContact CD1-C 3.42Å; T86-D88 VanDerWaalsContact CG2-O 3.31Å; T86-D88 WeakPolarHBondContact CG2-O 3.25Å; T86-D88 PolarHBondContact OG1-N 3.31Å; T86-D88 VanDerWaalsContact OG1-N 3.14Å; T86-D88 PolarHBondContact OG1-O 3.32Å; D88-V90 VanDerWaalsContact C-N 3.32Å; D88-V90 PolarHBondContact O-N 2.99Å; D88-V90 WeakPolarHBondContact OD1-CA 3.22Å; D88-V90 WeakPolarHBondContact OD1-CB 3.32Å; D88-V90 PolarHBondContact OD1-N 2.9Å; D88-I91 HydrophobicContact CB-CB 4.1Å; D88-I91 HydrophobicContact CB-CD1 3.79Å; D88-I91 HydrophobicContact CB-CG1 3.86Å; D88-I91 PolarHBondContact O-N 2.83Å; D88-I91 PolarHBondContact OD1-N 3.37Å; D88-C92 PolarHBondContact O-N 3.16Å
89A92Very high90Very high10 Ų1045.6 Ų45.68%0.08324%0.243CC..Hα-helixtrans-66.2-32.5-178.100000113I29 H32 V35 C92 C93I29-A89 HydrophobicContact CD1-CB 4Å; I29-A89 VanDerWaalsContact CD1-N 3.28Å; H32-A89 HydrophobicContact CB-CB 3.7Å; H32-A89 VanDerWaalsContact CD2-CB 3.46Å; H32-A89 WeakPolarHBondContact CD2-CB 3.44Å; V35-A89 HydrophobicContact CG2-CB 4.24Å; A89-C92 WeakPolarHBondContact O-CB 3.25Å; A89-C92 PolarHBondContact O-N 3.18Å; A89-C93 PolarHBondContact O-N 3.46Å; A89-C93 PolarHBondContact O-SG 3.48Å
90V91.9Very high90.5Very high52 Ų5244.2 Ų44.232%0.31524%0.237SC..Hα-helixtrans-67.4-46177.2-177.80000109.5D88 C92 C93 E94D88-V90 VanDerWaalsContact C-N 3.32Å; D88-V90 PolarHBondContact O-N 2.99Å; D88-V90 WeakPolarHBondContact OD1-CA 3.22Å; D88-V90 WeakPolarHBondContact OD1-CB 3.32Å; D88-V90 PolarHBondContact OD1-N 2.9Å; V90-C92 PolarHBondContact O-N 3.22Å; V90-C93 WeakPolarHBondContact O-CB 3.17Å; V90-C93 PolarHBondContact O-N 3.15Å; V90-C93 VanDerWaalsContact O-N 3.15Å; V90-E94 WeakPolarHBondContact O-CG 3.19Å; V90-E94 PolarHBondContact O-N 3.43Å
91I92.3Very high90.6Very high68 Ų6848.2 Ų48.235%0.34926%0.256SS..Hα-helixtrans-61.9-36175-59.9-179.6000110.8D88 E94 K95D88-I91 HydrophobicContact CB-CB 4.1Å; D88-I91 HydrophobicContact CB-CD1 3.79Å; D88-I91 HydrophobicContact CB-CG1 3.86Å; D88-I91 PolarHBondContact O-N 2.83Å; D88-I91 PolarHBondContact OD1-N 3.37Å; I91-E94 PolarHBondContact O-N 3.15Å; I91-K95 HydrophobicContact CG2-CD 4.42Å; I91-K95 HydrophobicContact CG2-CG 4.5Å; I91-K95 WeakPolarHBondContact O-CG 3.48Å; I91-K95 PolarHBondContact O-N 3.5Å
92C92.8Very high90.3Very high3 Ų351.2 Ų51.22%0.0227%0.273CS..Hα-helixtrans-61.9-48.9174.5-167.90000111.2I29 V35 T86 D88 A89 V90 E94 K95 I96I29-C92 HydrophobicContact CG2-CB 4.15Å; V35-C92 HydrophobicContact CG2-CB 4.32Å; T86-C92 HydrophobicContact CG2-CB 3.59Å; D88-C92 PolarHBondContact O-N 3.16Å; A89-C92 WeakPolarHBondContact O-CB 3.25Å; A89-C92 PolarHBondContact O-N 3.18Å; V90-C92 PolarHBondContact O-N 3.22Å; C92-E94 VanDerWaalsContact C-N 3.35Å; C92-E94 PolarHBondContact O-N 3.09Å; C92-K95 PolarHBondContact O-N 3.36Å; C92-I96 VanDerWaalsContact O-CG1 3.32Å; C92-I96 WeakPolarHBondContact O-CG1 3.26Å; C92-I96 PolarHBondContact O-N 2.92Å
93C92.9Very high90.1Very high16 Ų1651.5 Ų51.511%0.10827%0.273CS..Hα-helixtrans-57.9-45.6175.6-76.20000112V35 L38 A89 V90 I96 A97V35-C93 WeakPolarHBondContact CG2-SG 3.44Å; L38-C93 HydrophobicContact CD1-CB 4.08Å; A89-C93 PolarHBondContact O-N 3.46Å; A89-C93 PolarHBondContact O-SG 3.48Å; V90-C93 WeakPolarHBondContact O-CB 3.17Å; V90-C93 PolarHBondContact O-N 3.15Å; V90-C93 VanDerWaalsContact O-N 3.15Å; C93-I96 PolarHBondContact O-N 3Å; C93-A97 VanDerWaalsContact O-CB 3.3Å; C93-A97 WeakPolarHBondContact O-CB 3.44Å; C93-A97 PolarHBondContact O-N 3.29Å
94E91.2Very high89.6Confident95 Ų9549.5 Ų49.544%0.44427%0.267SS..Hα-helixtrans-58.6-51.6177.8-72.4171.5-179.500110.9V90 I91 C92 I96 A97 T98V90-E94 WeakPolarHBondContact O-CG 3.19Å; V90-E94 PolarHBondContact O-N 3.43Å; I91-E94 PolarHBondContact O-N 3.15Å; C92-E94 VanDerWaalsContact C-N 3.35Å; C92-E94 PolarHBondContact O-N 3.09Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.17Å; E94-A97 PolarHBondContact O-N 3.38Å; E94-A97 VanDerWaalsContact O-N 3.16Å; E94-T98 PolarHBondContact O-N 3.47Å; E94-T98 PolarHBondContact O-OG1 3.32Å; E94-T98 VanDerWaalsContact O-OG1 3.08Å
95K93.6Very high89.2Confident76 Ų7650.4 Ų50.433%0.3327%0.274SS..Hα-helixtrans-58.5-41.1177.9-73-178.7176.6-173.10112.6L84 N85 I91 C92 F99L84-K95 HydrophobicContact CD2-CB 3.62Å; L84-K95 HydrophobicContact CD2-CD 4.24Å; N85-K95 PolarHBondContact O-NZ 3.42Å; I91-K95 HydrophobicContact CG2-CD 4.42Å; I91-K95 HydrophobicContact CG2-CG 4.5Å; I91-K95 WeakPolarHBondContact O-CG 3.48Å; I91-K95 PolarHBondContact O-N 3.5Å; C92-K95 PolarHBondContact O-N 3.36Å; K95-F99 VanDerWaalsContact O-CB 3.31Å; K95-F99 WeakPolarHBondContact O-CB 3.23Å; K95-F99 PolarHBondContact O-N 3.46Å; K95-F99 VanDerWaalsContact O-N 3.09Å
96I93.8Very high88.9Confident0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-67.7-43.4177.5-67.8167.1000110.6M11 L38 V39 F43 L84 C92 C93 E94 F99 L100M11-I96 HydrophobicContact CE-CD1 4.05Å; M11-I96 HydrophobicContact CE-CG1 4.36Å; L38-I96 HydrophobicContact CB-CG2 4.01Å; L38-I96 HydrophobicContact CD1-CB 4.3Å; L38-I96 HydrophobicContact CD1-CG2 4.11Å; L38-I96 HydrophobicContact CD2-CG2 4.48Å; L38-I96 HydrophobicContact CG-CG2 4.44Å; V39-I96 HydrophobicContact CG2-CD1 4.34Å; F43-I96 HydrophobicContact CE2-CG2 3.7Å; F43-I96 HydrophobicContact CZ-CG2 4.02Å; L84-I96 HydrophobicContact CD1-CD1 4.31Å; L84-I96 HydrophobicContact CD1-CG1 3.83Å; L84-I96 HydrophobicContact CD2-CG1 4.31Å; C92-I96 VanDerWaalsContact O-CG1 3.32Å; C92-I96 WeakPolarHBondContact O-CG1 3.26Å; C92-I96 PolarHBondContact O-N 2.92Å; C93-I96 PolarHBondContact O-N 3Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.17Å; I96-F99 PolarHBondContact O-N 3.48Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.36Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.32Å; I96-L100 PolarHBondContact O-N 3.36Å
97A91.2Very high88.1Confident18 Ų1847.6 Ų47.615%0.14926%0.259CS..Hα-helixtrans-64.9-48.1-179.200000111.5C93 E94 F99 L100 E101 L142C93-A97 VanDerWaalsContact O-CB 3.3Å; C93-A97 WeakPolarHBondContact O-CB 3.44Å; C93-A97 PolarHBondContact O-N 3.29Å; E94-A97 PolarHBondContact O-N 3.38Å; E94-A97 VanDerWaalsContact O-N 3.16Å; A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 2.94Å; A97-L100 PolarHBondContact O-N 2.85Å; A97-L100 VanDerWaalsContact O-N 3.14Å; A97-E101 PolarHBondContact O-N 3.35Å; A97-L142 HydrophobicContact CB-CD1 4.28Å; A97-L142 HydrophobicContact CB-CD2 4.11Å
98T90.7Very high87.1Confident76 Ų7643.4 Ų43.447%0.46624%0.239SC..Hα-helixtrans-57.2-45.4174.8-58.10000110.9E94 L100 E101 D102E94-T98 PolarHBondContact O-N 3.47Å; E94-T98 PolarHBondContact O-OG1 3.32Å; E94-T98 VanDerWaalsContact O-OG1 3.08Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.94Å; T98-E101 WeakPolarHBondContact O-CB 3.46Å; T98-E101 PolarHBondContact O-N 3.19Å; T98-D102 PolarHBondContact O-N 3.19Å
99F90.2Very high84.9Confident7 Ų747.2 Ų47.23%0.03126%0.259CS..Hα-helixtrans-59.2-43.1176.1175.3-93.1000112.8W9 F43 I72 M81 I82 K95 I96 A97 E101 D102 H103W9-F99 AromaticContact CD1-CE1 3.8Å; W9-F99 AromaticContact CD2-CE1 3.78Å; W9-F99 HydrophobicContact CD2-CE1 3.78Å; W9-F99 AromaticContact CD2-CZ 3.87Å; W9-F99 HydrophobicContact CD2-CZ 3.87Å; W9-F99 AromaticContact CE2-CE1 3.71Å; W9-F99 AromaticContact CE2-CZ 3.87Å; W9-F99 HydrophobicContact CE3-CE1 4.4Å; W9-F99 HydrophobicContact CE3-CZ 4.04Å; W9-F99 AromaticContact CG-CE1 3.89Å; W9-F99 HydrophobicContact CG-CE1 3.89Å; W9-F99 HydrophobicContact CG-CZ 4.42Å; W9-F99 HydrophobicContact CH2-CZ 4.26Å; W9-F99 HydrophobicContact CZ2-CE1 4.33Å; W9-F99 HydrophobicContact CZ2-CZ 4.11Å; W9-F99 HydrophobicContact CZ3-CZ 4.22Å; W9-F99 AromaticContact NE1-CE1 3.66Å; F43-F99 HydrophobicContact CZ-CD1 4.37Å; I72-F99 HydrophobicContact CB-CZ 4.43Å; I72-F99 HydrophobicContact CD1-CB 4.4Å; I72-F99 HydrophobicContact CD1-CD1 3.63Å; I72-F99 HydrophobicContact CD1-CD2 4.3Å; I72-F99 HydrophobicContact CD1-CE1 3.97Å; I72-F99 HydrophobicContact CD1-CG 3.82Å; I72-F99 HydrophobicContact CD1-CZ 4.45Å; I72-F99 HydrophobicContact CG2-CD1 4.44Å; I72-F99 HydrophobicContact CG2-CE1 3.68Å; I72-F99 HydrophobicContact CG2-CE2 4.07Å; I72-F99 HydrophobicContact CG2-CZ 3.48Å; I72-F99 VanDerWaalsContact CG2-CZ 3.48Å; M81-F99 HydrophobicContact CB-CE2 3.69Å; M81-F99 HydrophobicContact CB-CZ 4.2Å; M81-F99 HydrophobicContact CE-CE2 4.12Å; M81-F99 HydrophobicContact CE-CZ 4.42Å; M81-F99 HydrophobicContact CG-CE2 4.19Å; M81-F99 HydrophobicContact CG-CZ 4.28Å; I82-F99 HydrophobicContact CD1-CB 3.7Å; I82-F99 HydrophobicContact CD1-CD2 3.71Å; I82-F99 HydrophobicContact CD1-CG 3.89Å; I82-F99 HydrophobicContact CG1-CD2 3.87Å; I82-F99 HydrophobicContact CG1-CE2 4.41Å; I82-F99 HydrophobicContact CG1-CG 4.4Å; I82-F99 HydrophobicContact CG2-CD2 4.27Å; K95-F99 VanDerWaalsContact O-CB 3.31Å; K95-F99 WeakPolarHBondContact O-CB 3.23Å; K95-F99 PolarHBondContact O-N 3.46Å; K95-F99 VanDerWaalsContact O-N 3.09Å; I96-F99 PolarHBondContact O-N 3.48Å; A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 2.94Å; F99-E101 VanDerWaalsContact C-N 3.31Å; F99-D102 PolarHBondContact O-N 2.94Å; F99-H103 AromaticContact CD2-CD2 3.66Å; F99-H103 HydrophobicContact CE1-CB 4.13Å; F99-H103 HydrophobicContact CE2-CB 4.21Å; F99-H103 AromaticContact CE2-CD2 3.32Å; F99-H103 WeakPolarHBondContact CE2-CD2 3.28Å; F99-H103 HydrophobicContact CZ-CB 3.91Å; F99-H103 AromaticContact CZ-CD2 3.9Å; F99-H103 WeakPolarHBondContact O-CA 3.42Å; F99-H103 VanDerWaalsContact O-CB 3.25Å; F99-H103 WeakPolarHBondContact O-CB 3.49Å; F99-H103 PolarHBondContact O-N 2.78Å
100L89.8Confident82.3Confident10 Ų1052 Ų525%0.05228%0.278CS..Hα-helixtrans-74.1-21.9-179.4-68.8173.4000113.1L38 N42 F43 I96 A97 T98 H103 P104L38-L100 HydrophobicContact CD2-CD1 4.43Å; N42-L100 HydrophobicContact CB-CD1 3.9Å; N42-L100 HydrophobicContact CB-CD2 3.99Å; F43-L100 HydrophobicContact CE2-CD1 4.19Å; F43-L100 HydrophobicContact CE2-CD2 4.34Å; F43-L100 HydrophobicContact CZ-CD2 4.11Å; F43-L100 HydrophobicContact CZ-CG 4.41Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.36Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.32Å; I96-L100 PolarHBondContact O-N 3.36Å; A97-L100 PolarHBondContact O-N 2.85Å; A97-L100 VanDerWaalsContact O-N 3.14Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.94Å; L100-H103 CarbonylContact O-C 3.55Å; L100-P104 VanDerWaalsContact O-CA 3.28Å; L100-P104 WeakPolarHBondContact O-CA 3.36Å
101E86.4Confident79.3Confident152 Ų15255.4 Ų55.471%0.7130%0.299SS*.Hα-helixtrans-68.2-46.7171.7-171.7165.8-16000110.6A97 T98 F99A97-E101 PolarHBondContact O-N 3.35Å; T98-E101 WeakPolarHBondContact O-CB 3.46Å; T98-E101 PolarHBondContact O-N 3.19Å; F99-E101 VanDerWaalsContact C-N 3.31Å
102D82.2Confident76.2Confident101 Ų10153.5 Ų53.554%0.5430%0.297SS..Hα-helixtrans-74.6-28.6176.7-60.4-24.4000112.2T98 F99T98-D102 PolarHBondContact O-N 3.19Å; F99-D102 PolarHBondContact O-N 2.94Å
103H84.3Confident72.8Confident61 Ų6159.7 Ų59.728%0.28233%0.334SS..  trans-135.975.3-172.9-56.5-47.7000112.6W9 F99 L100 S105W9-H103 HydrophobicContact CH2-CB 4.28Å; W9-H103 HydrophobicContact CZ2-CB 3.62Å; W9-H103 PolarHBondContact NE1-O 3.13Å; F99-H103 AromaticContact CD2-CD2 3.66Å; F99-H103 HydrophobicContact CE1-CB 4.13Å; F99-H103 HydrophobicContact CE2-CB 4.21Å; F99-H103 AromaticContact CE2-CD2 3.32Å; F99-H103 WeakPolarHBondContact CE2-CD2 3.28Å; F99-H103 HydrophobicContact CZ-CB 3.91Å; F99-H103 AromaticContact CZ-CD2 3.9Å; F99-H103 WeakPolarHBondContact O-CA 3.42Å; F99-H103 VanDerWaalsContact O-CB 3.25Å; F99-H103 WeakPolarHBondContact O-CB 3.49Å; F99-H103 PolarHBondContact O-N 2.78Å; L100-H103 CarbonylContact O-C 3.55Å; H103-S105 VanDerWaalsContact C-N 3.3Å; H103-S105 PolarHBondContact O-N 2.79Å
104P82.5Confident69.7Low45 Ų4566.1 Ų66.129%0.29236%0.36SS..SBendtrans-60.7-35.1-173-25.534000114.3L100L100-P104 VanDerWaalsContact O-CA 3.28Å; L100-P104 WeakPolarHBondContact O-CA 3.36Å
105S82.6Confident66.5Low22 Ų2266.7 Ų66.715%0.15437%0.367CS..  trans-153.8157.8174.381.80000110.9N7 W9 H103 S107 G108N7-S105 VanDerWaalsContact ND2-CB 3.32Å; N7-S105 WeakPolarHBondContact ND2-CB 3.32Å; N7-S105 PolarHBondContact ND2-OG 3.42Å; W9-S105 WeakPolarHBondContact CZ2-O 3.23Å; H103-S105 VanDerWaalsContact C-N 3.3Å; H103-S105 PolarHBondContact O-N 2.79Å; S105-S107 VanDerWaalsContact C-N 3.28Å; S105-S107 PolarHBondContact O-N 2.84Å; S105-G108 PolarHBondContact O-N 2.97Å; S105-G108 PolarHBondContact OG-N 3.05Å; S105-G108 PolarHBondContact OG-O 3.04Å
106P79.1Confident63.4Low4 Ų468.1 Ų68.13%0.02638%0.384CS..THydrogen-bonded Turntrans-50.2-48.7174.2-2733.4000112.3N7 R8 W9 P75 R76 G108N7-P106 WeakPolarHBondContact O-CD 3.31Å; N7-P106 WeakPolarHBondContact OD1-CD 3.3Å; R8-P106 VanDerWaalsContact C-CG 3.46Å; W9-P106 HydrophobicContact CD2-CG 3.78Å; W9-P106 HydrophobicContact CE3-CB 4.44Å; W9-P106 HydrophobicContact CE3-CG 4Å; W9-P106 HydrophobicContact CG-CG 4.13Å; W9-P106 HydrophobicContact CH2-CB 4.38Å; W9-P106 HydrophobicContact CZ2-CB 4.48Å; W9-P106 HydrophobicContact CZ2-CG 4.33Å; W9-P106 HydrophobicContact CZ3-CB 4.36Å; W9-P106 HydrophobicContact CZ3-CG 4.39Å; P75-P106 HydrophobicContact CG-CB 4.15Å; P75-P106 HydrophobicContact CG-CG 4.07Å; R76-P106 PolarHBondContact NH1-O 3.38Å; R76-P106 PolarHBondContact NH2-O 3.21Å; P106-G108 PolarHBondContact O-N 3.41Å; P106-G108 VanDerWaalsContact O-N 3.17Å
107S71.9Confident60.1Low16 Ų1674.6 Ų74.611%0.11242%0.418CS..THydrogen-bonded Turntrans-73.4-2179.4-60.30000114.7N7 S105 S276N7-S107 WeakPolarHBondContact OD1-CB 3.33Å; N7-S107 PolarHBondContact OD1-N 2.79Å; N7-S107 PolarHBondContact OD1-OG 3.37Å; N7-S107 VanDerWaalsContact OD1-OG 3.12Å; S105-S107 VanDerWaalsContact C-N 3.28Å; S105-S107 PolarHBondContact O-N 2.84Å; S107-S276 WeakPolarHBondContact O-CB 3.28Å; S107-S276 PolarHBondContact O-OG 3.33Å; S107-S276 VanDerWaalsContact O-OG 3.09Å
108G65.6Low57Low24 Ų2480.9 Ų80.925%0.24745%0.448CS..THydrogen-bonded Turntrans66.7-155.2-174.500000113S105 P106 F110S105-G108 PolarHBondContact O-N 2.97Å; S105-G108 PolarHBondContact OG-N 3.05Å; S105-G108 PolarHBondContact OG-O 3.04Å; P106-G108 PolarHBondContact O-N 3.41Å; P106-G108 VanDerWaalsContact O-N 3.17Å; G108-F110 PolarHBondContact O-N 3.17Å
109N46.8Very low53.7Low136 Ų13683.1 Ų83.173%0.72746%0.461SS*.THydrogen-bonded Turntrans-76.726.7176.8-75.318.4000113.3T111N109-T111 VanDerWaalsContact C-N 3.33Å; N109-T111 PolarHBondContact O-N 2.83Å
110F35.8Very low50.5Low111 Ų11190.7 Ų90.749%0.48750%0.495SS..  trans-69.693.7178.7-165-99.2000109.8G108 G112G108-F110 PolarHBondContact O-N 3.17Å; F110-G112 WeakPolarHBondContact CD1-O 3.33Å; F110-G112 VanDerWaalsContact CE1-CA 3.45Å; F110-G112 WeakPolarHBondContact CE1-O 3.41Å
111T30.6Very low47.3Very low122 Ų12298.2 Ų98.275%0.74853%0.534SS*.  trans-85.96.1168.1540000112N109 T113N109-T111 VanDerWaalsContact C-N 3.33Å; N109-T111 PolarHBondContact O-N 2.83Å; T111-T113 PolarHBondContact O-N 3.39Å
112G25.5Very low44.2Very low29 Ų2994.2 Ų94.230%0.29953%0.533SS..SBendtrans-58.8113.7168.200000108F110 F114F110-G112 WeakPolarHBondContact CD1-O 3.33Å; F110-G112 VanDerWaalsContact CE1-CA 3.45Å; F110-G112 WeakPolarHBondContact CE1-O 3.41Å; G112-F114 PolarHBondContact O-N 3.09Å
113T23.2Very low41.4Very low132 Ų13293.4 Ų93.481%0.8154%0.54SS*.  trans-42.3112.6163.429.90000107.2T111 D115T111-T113 PolarHBondContact O-N 3.39Å; T113-D115 VanDerWaalsContact C-N 3.3Å; T113-D115 PolarHBondContact O-N 3.4Å
114F27.5Very low38.4Very low151 Ų15195.9 Ų95.966%0.66256%0.564SS**  trans-52.5107.7162.5-89.6-93.8000104.9G112 P116G112-F114 PolarHBondContact O-N 3.09Å; F114-P116 WeakPolarHBondContact O-CD 3.39Å
115D24.3Very low35.6Very low108 Ų10899.1 Ų99.158%0.57859%0.589SS**  trans-59.1106.5174.1-163.4-17.3000105.9T113 D117 I118T113-D115 VanDerWaalsContact C-N 3.3Å; T113-D115 PolarHBondContact O-N 3.4Å; D115-D117 PolarHBondContact O-N 3.08Å; D115-D117 PolarHBondContact OD1-N 2.88Å; D115-I118 PolarHBondContact O-N 3.29Å
116P28.4Very low33.2Very low105 Ų105103.7 Ų103.768%0.68262%0.617SS**THydrogen-bonded Turntrans-65.5-10.7-174.6-1024.9000111.3F114 I118F114-P116 WeakPolarHBondContact O-CD 3.39Å; P116-I118 VanDerWaalsContact C-N 3.28Å; P116-I118 PolarHBondContact O-N 2.98Å
117D23.7Very low30.6Very low137 Ų137110.2 Ų110.273%0.73366%0.657SS**THydrogen-bonded Turntrans-80.8-3.7-178.1-69.5-11.7000113.5D115 V119D115-D117 PolarHBondContact O-N 3.08Å; D115-D117 PolarHBondContact OD1-N 2.88Å; D117-V119 PolarHBondContact O-N 3.4Å
118I25.5Very low28.4Very low150 Ų150114.8 Ų114.877%0.76969%0.689SS**THydrogen-bonded Turntrans-80.369.9160.3-54.5-170000109.1D115 P116 F120D115-I118 PolarHBondContact O-N 3.29Å; P116-I118 VanDerWaalsContact C-N 3.28Å; P116-I118 PolarHBondContact O-N 2.98Å; I118-F120 PolarHBondContact O-N 3.47Å; I118-F120 VanDerWaalsContact O-N 3.12Å
119V22.6Very low26.6Very low123 Ų123118.9 Ų118.975%0.74571%0.71SS**THydrogen-bonded Turntrans17.578.1162.7-165.90000114.7D117 L121D117-V119 PolarHBondContact O-N 3.4Å; V119-L121 HydrophobicContact CG1-CG 4.42Å
120F22.5Very low25.7Very low166 Ų166118.4 Ų118.473%0.72871%0.707SS**  trans-92.298.2159.8-157-93.4000108I118 G122 A123I118-F120 PolarHBondContact O-N 3.47Å; I118-F120 VanDerWaalsContact O-N 3.12Å; F120-G122 VanDerWaalsContact C-N 3.32Å; F120-G122 WeakPolarHBondContact CE1-O 3.38Å; F120-G122 PolarHBondContact O-N 3.14Å; F120-A123 HydrophobicContact CD1-CB 4.29Å; F120-A123 HydrophobicContact CE1-CB 3.77Å
121L22Very low25.4Very low168 Ų168115 Ų11588%0.8870%0.704SS**  trans-66.297166.2-76.7172.4000108.4V119V119-L121 HydrophobicContact CG1-CG 4.42Å
122G21.2Very low25.5Very low67 Ų67113.1 Ų113.169%0.69170%0.7SS**SBendtrans91.485.115900000115.7F120F120-G122 VanDerWaalsContact C-N 3.32Å; F120-G122 WeakPolarHBondContact CE1-O 3.38Å; F120-G122 PolarHBondContact O-N 3.14Å
123A23.5Very low25.7Very low84 Ų84118 Ų11869%0.69472%0.716SS**  trans-164.3124.6137.100000109.8F120F120-A123 HydrophobicContact CD1-CB 4.29Å; F120-A123 HydrophobicContact CE1-CB 3.77Å
124S20.7Very low26.3Very low113 Ų113115.1 Ų115.179%0.7970%0.697SS**  trans-80.2145.7-178.147.20000113.7
125S25.1Very low26.4Very low114 Ų114111.7 Ų111.780%0.79769%0.689SS**  trans85.1116.4153.3-59.40000119.1
126P31.6Very low26.8Very low117 Ų117112.6 Ų112.676%0.7669%0.689SS**  trans-94.8147.6179.936.4-30.6000112.2
127T24.5Very low27Very low141 Ų141111.4 Ų111.487%0.86568%0.675SS**  trans-131.5104.3154.6-0.10000107
128S26.4Very low27.5Very low112 Ų112106.8 Ų106.878%0.78365%0.652SS**  trans-73.7123.3177.1-59.20000109.7
129T27.6Very low27.8Very low111 Ų111109 Ų10968%0.68165%0.65SS**  trans-133.1119.8164.6-120000109.3
130N27.5Very low28.4Very low125 Ų125108.4 Ų108.467%0.66864%0.638SS**  trans-61.4129.4-170.2-64.2-37.8000112.3A132 Q133N130-A132 PolarHBondContact O-N 3.08Å; N130-A132 VanDerWaalsContact O-N 3.08Å; N130-Q133 PolarHBondContact O-N 3.01Å
131G29.5Very low29.1Very low41 Ų41107 Ų10742%0.42363%0.627SS.*Hα-helixtrans-59.3-21.4-174.700000116Q133 V134G131-Q133 VanDerWaalsContact C-N 3.27Å; G131-Q133 PolarHBondContact O-N 3.21Å; G131-V134 PolarHBondContact O-N 2.94Å
132A31.7Very low29.7Very low81 Ų81102.2 Ų102.267%0.66960%0.602SS**Hα-helixtrans-69.3-22.1175.300000113.5N130 T135N130-A132 PolarHBondContact O-N 3.08Å; N130-A132 VanDerWaalsContact O-N 3.08Å; A132-T135 PolarHBondContact O-OG1 3.12Å
133Q30.9Very low30.5Very low133 Ų133103.2 Ų103.262%0.62160%0.599SS**Hα-helixtrans-79.2-22.7172.9-77.1-167.7-19.100112.6N130 G131 H136 E137N130-Q133 PolarHBondContact O-N 3.01Å; G131-Q133 VanDerWaalsContact C-N 3.27Å; G131-Q133 PolarHBondContact O-N 3.21Å; Q133-H136 PolarHBondContact O-N 3.14Å; Q133-E137 VanDerWaalsContact O-CB 3.25Å; Q133-E137 WeakPolarHBondContact O-CB 3.28Å; Q133-E137 PolarHBondContact O-N 2.83Å
134V34.6Very low31.2Very low70 Ų70104.6 Ų104.642%0.42460%0.595SS.*Hα-helixtrans-67.8-40.4-176.6-177.90000110.9G131 E137 V138G131-V134 PolarHBondContact O-N 2.94Å; V134-E137 PolarHBondContact O-N 3.46Å; V134-V138 HydrophobicContact CG1-CG2 4.43Å; V134-V138 WeakPolarHBondContact O-CB 3.25Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.32Å; V134-V138 PolarHBondContact O-N 3.03Å
135T30.9Very low31.8Very low79 Ų79102.3 Ų102.349%0.48557%0.573SS.*Hα-helixtrans-65.9-41.1177.256.60000112A132 R139A132-T135 PolarHBondContact O-OG1 3.12Å; T135-R139 VanDerWaalsContact O-CB 3.31Å; T135-R139 WeakPolarHBondContact O-CB 3.41Å; T135-R139 PolarHBondContact O-N 3Å
136H31.6Very low32.2Very low127 Ų127102.4 Ų102.459%0.58857%0.573SS**Hα-helixtrans-71.8-35.1177.8-161.1-74.4000112.2Q133 K140Q133-H136 PolarHBondContact O-N 3.14Å; H136-K140 WeakPolarHBondContact O-CB 3.31Å; H136-K140 PolarHBondContact O-N 3.12Å
137E32.7Very low32.6Very low80 Ų80102.5 Ų102.537%0.37457%0.567SS.*Hα-helixtrans-70.4-40.3176.9-173.465.1-173.500111.4Q133 V134 R141Q133-E137 VanDerWaalsContact O-CB 3.25Å; Q133-E137 WeakPolarHBondContact O-CB 3.28Å; Q133-E137 PolarHBondContact O-N 2.83Å; V134-E137 PolarHBondContact O-N 3.46Å; E137-R141 WeakPolarHBondContact O-CB 3.03Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.38Å; E137-R141 IonicContact OE1-CZ 2.63Å; E137-R141 VanDerWaalsContact OE1-CZ 3.23Å; E137-R141 IonicContact OE1-NE 2.85Å; E137-R141 PolarHBondContact OE1-NE 3.42Å; E137-R141 IonicContact OE1-NH2 3.23Å; E137-R141 PolarHBondContact OE1-NH2 2.86Å
138V34.6Very low33Very low41 Ų41103.8 Ų103.825%0.24857%0.568CS.*Hα-helixtrans-63-47.4172.6173.70000110.1V134 K140 R141 L142V134-V138 HydrophobicContact CG1-CG2 4.43Å; V134-V138 WeakPolarHBondContact O-CB 3.25Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.32Å; V134-V138 PolarHBondContact O-N 3.03Å; V138-K140 PolarHBondContact O-N 3.03Å; V138-R141 PolarHBondContact O-N 3.03Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 HydrophobicContact CG1-CG 4.4Å; V138-L142 WeakPolarHBondContact O-CB 3.42Å; V138-L142 VanDerWaalsContact O-CG 3.22Å; V138-L142 WeakPolarHBondContact O-CG 3.21Å; V138-L142 PolarHBondContact O-N 3.27Å
139R32.2Very low33.2Very low195 Ų195101.7 Ų101.774%0.73657%0.565SS**Hα-helixtrans-62.8-41.7179.1-168.8174.3-173.6146.12.4113.1T135 L142 S143T135-R139 VanDerWaalsContact O-CB 3.31Å; T135-R139 WeakPolarHBondContact O-CB 3.41Å; T135-R139 PolarHBondContact O-N 3Å; R139-L142 PolarHBondContact O-N 3.4Å; R139-S143 PolarHBondContact O-N 3.42Å
140K34.8Very low33.6Very low112 Ų112105.3 Ų105.349%0.48757%0.571SS.*Hα-helixtrans-68.8-40.9177.8-171.9-178.8177.8-171.80111.7H136 V138 L142 S143 D144H136-K140 WeakPolarHBondContact O-CB 3.31Å; H136-K140 PolarHBondContact O-N 3.12Å; V138-K140 PolarHBondContact O-N 3.03Å; K140-L142 VanDerWaalsContact C-N 3.33Å; K140-L142 PolarHBondContact O-N 2.92Å; K140-S143 PolarHBondContact O-N 3.04Å; K140-S143 PolarHBondContact O-OG 3.42Å; K140-D144 VanDerWaalsContact O-CG 3.3Å; K140-D144 PolarHBondContact O-N 3.08Å
141R37.5Very low33.9Very low135 Ų135104.6 Ų104.651%0.50957%0.567SS.*Hα-helixtrans-67.3-34.1175.5-72.9-174.7-175.4-153.42.2112.6E137 V138 D144 I145E137-R141 WeakPolarHBondContact O-CB 3.03Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.38Å; E137-R141 IonicContact OE1-CZ 2.63Å; E137-R141 VanDerWaalsContact OE1-CZ 3.23Å; E137-R141 IonicContact OE1-NE 2.85Å; E137-R141 PolarHBondContact OE1-NE 3.42Å; E137-R141 IonicContact OE1-NH2 3.23Å; E137-R141 PolarHBondContact OE1-NH2 2.86Å; V138-R141 PolarHBondContact O-N 3.03Å; R141-D144 PolarHBondContact O-N 3.19Å; R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.1Å
142L34.9Very low34.3Very low68 Ų68108.9 Ų108.936%0.35659%0.585SS.*Hα-helixtrans-66.5-35.8175.1-73.8168.9000112.2A97 V138 R139 K140 D144 I145A97-L142 HydrophobicContact CB-CD1 4.28Å; A97-L142 HydrophobicContact CB-CD2 4.11Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 HydrophobicContact CG1-CG 4.4Å; V138-L142 WeakPolarHBondContact O-CB 3.42Å; V138-L142 VanDerWaalsContact O-CG 3.22Å; V138-L142 WeakPolarHBondContact O-CG 3.21Å; V138-L142 PolarHBondContact O-N 3.27Å; R139-L142 PolarHBondContact O-N 3.4Å; K140-L142 VanDerWaalsContact C-N 3.33Å; K140-L142 PolarHBondContact O-N 2.92Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-I145 HydrophobicContact CD2-CD1 3.86Å; L142-I145 PolarHBondContact O-N 3.13Å
143S38.7Very low34.5Very low88 Ų88111.6 Ų111.662%0.61559%0.588SS**Hα-helixtrans-71.1-27.2173.755.50000113.6R139 K140 I145R139-S143 PolarHBondContact O-N 3.42Å; K140-S143 PolarHBondContact O-N 3.04Å; K140-S143 PolarHBondContact O-OG 3.42Å; S143-I145 VanDerWaalsContact C-N 3.27Å; S143-I145 PolarHBondContact O-N 3.12Å
144D36.4Very low34.7Very low114 Ų114110.5 Ų110.561%0.6158%0.581SS**THydrogen-bonded Turntrans-84.20.8-180-66.3-16.6000113K140 R141 L142 S146K140-D144 VanDerWaalsContact O-CG 3.3Å; K140-D144 PolarHBondContact O-N 3.08Å; R141-D144 PolarHBondContact O-N 3.19Å; L142-D144 VanDerWaalsContact C-N 3.32Å; D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.03Å
145I35.2Very low34.6Very low65 Ų65115.1 Ų115.133%0.33360%0.596SS.*  trans-68.689.1172.2-58179.3000108.4A34 R141 L142 S143 L147A34-I145 HydrophobicContact CB-CD1 4.34Å; R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.1Å; L142-I145 HydrophobicContact CD2-CD1 3.86Å; L142-I145 PolarHBondContact O-N 3.13Å; S143-I145 VanDerWaalsContact C-N 3.27Å; S143-I145 PolarHBondContact O-N 3.12Å; I145-L147 HydrophobicContact CG2-CD2 3.84Å; I145-L147 HydrophobicContact CG2-CG 4.41Å; I145-L147 PolarHBondContact O-N 3.34Å
146S33.2Very low34.6Very low115 Ų115117.4 Ų117.480%0.80460%0.601SS**  trans-63.898.6166.6-171.30000108.4D144 D148D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.03Å; S146-D148 PolarHBondContact O-N 3.32Å
147L39.3Very low34.7Very low119 Ų119120.8 Ų120.862%0.62361%0.608SS**  trans-70.9113.9173.5-63.3173.8000108.2I145 G149I145-L147 HydrophobicContact CG2-CD2 3.84Å; I145-L147 HydrophobicContact CG2-CG 4.41Å; I145-L147 PolarHBondContact O-N 3.34Å; L147-G149 PolarHBondContact O-N 3.45Å
148D33.4Very low34.6Very low168 Ų168120.6 Ų120.690%0.89861%0.609SS**  trans-56.7132.1179.8-167.520.9000110.8S146 K150S146-D148 PolarHBondContact O-N 3.32Å; D148-K150 PolarHBondContact O-N 3.5Å
149G31Very low34.6Very low68 Ų68123.1 Ų123.170%0.70162%0.624SS**SBendtrans-78.566.8-154.300000115.2L147L147-G149 PolarHBondContact O-N 3.45Å
150K34.9Very low34.4Very low188 Ų188119.1 Ų119.182%0.81762%0.617SS**SBendtrans-136.481162.1-73.8-172.9-177.6175.80110.8D148D148-K150 PolarHBondContact O-N 3.5Å
151D33.4Very low34.3Very low110 Ų110118.7 Ų118.759%0.58862%0.62SS**  trans159.882.2143.2-84.2-32.6000109.7N153 K154D151-N153 PolarHBondContact O-N 2.7Å; D151-K154 HydrophobicContact CB-CD 4.37Å; D151-K154 HydrophobicContact CB-CG 4.31Å; D151-K154 PolarHBondContact O-N 3.36Å
152V39.2Very low33.8Very low131 Ų131119.7 Ų119.779%0.79463%0.629SS**Hα-helixtrans-56.7-23.1175.8-174.30000111.6K154 K155V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.38Å; V152-K155 PolarHBondContact O-N 2.78Å
153N34.9Very low33.4Very low137 Ų137119 Ų11973%0.73364%0.638SS**Hα-helixtrans-77.3-9.7178-72.8-13.8000114.9D151D151-N153 PolarHBondContact O-N 2.7Å
154K36Very low32.9Very low111 Ų111117.3 Ų117.348%0.48363%0.629SS.*Hα-helixtrans-77.8-31.2172-83.1-178.8178.5177.70112.5D151 V152 Q156 R157 I158D151-K154 HydrophobicContact CB-CD 4.37Å; D151-K154 HydrophobicContact CB-CG 4.31Å; D151-K154 PolarHBondContact O-N 3.36Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.38Å; K154-Q156 PolarHBondContact O-N 3.49Å; K154-R157 PolarHBondContact O-N 3.05Å; K154-I158 WeakPolarHBondContact O-CG1 3.42Å; K154-I158 PolarHBondContact O-N 3.17Å
155K31.8Very low32.5Very low167 Ų167117.6 Ų117.673%0.72663%0.63SS**Hα-helixtrans-56.8-37.8178.5-113.7-176.9179.6-179.60112.7V152 I158V152-K155 PolarHBondContact O-N 2.78Å; K155-I158 PolarHBondContact O-N 3.38Å
156Q31.5Very low32.2Very low127 Ų127118.9 Ų118.959%0.59365%0.645SS**Hα-helixtrans-73.9-30.4178.9-158.364.823.400112.9K154 I158 N160K154-Q156 PolarHBondContact O-N 3.49Å; Q156-I158 VanDerWaalsContact C-N 3.33Å; Q156-N160 PolarHBondContact O-N 3.4Å
157R32.5Very low31.9Very low197 Ų197117.9 Ų117.974%0.74363%0.634SS**Hα-helixtrans-70.8-30.6175.9-70.4-175.866.3157.6-0.2112.2K154 N160 L161K154-R157 PolarHBondContact O-N 3.05Å; R157-N160 PolarHBondContact O-N 3.21Å; R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 PolarHBondContact O-N 3.22Å
158I31Very low31.3Very low77 Ų77121.8 Ų121.840%0.39564%0.64SS.*Hα-helixtrans-60.8-48.9176-65.9170.6000110.1K154 K155 Q156 N160 L161 F162K154-I158 WeakPolarHBondContact O-CG1 3.42Å; K154-I158 PolarHBondContact O-N 3.17Å; K155-I158 PolarHBondContact O-N 3.38Å; Q156-I158 VanDerWaalsContact C-N 3.33Å; I158-N160 VanDerWaalsContact C-N 3.35Å; I158-N160 PolarHBondContact O-N 3.21Å; I158-L161 PolarHBondContact O-N 3.01Å; I158-F162 HydrophobicContact CG2-CD2 4.1Å; I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 VanDerWaalsContact O-CD2 3.28Å; I158-F162 WeakPolarHBondContact O-CD2 3.38Å; I158-F162 PolarHBondContact O-N 3.21Å
159V34.2Very low31Very low93 Ų93117.2 Ų117.256%0.56462%0.622SS**Hα-helixtrans-63.5-39.7180-178.70000112
160N29.3Very low30.8Very low111 Ų111119.4 Ų119.459%0.59462%0.617SS**Hα-helixtrans-73.4-27.4-178.8-71.5-3000113.3Q156 R157 I158 G163 A164Q156-N160 PolarHBondContact O-N 3.4Å; R157-N160 PolarHBondContact O-N 3.21Å; I158-N160 VanDerWaalsContact C-N 3.35Å; I158-N160 PolarHBondContact O-N 3.21Å; N160-G163 PolarHBondContact O-N 2.79Å; N160-A164 PolarHBondContact O-N 3.12Å
161L31.3Very low30.6Very low103 Ų103118.6 Ų118.654%0.53962%0.616SS.*Hα-helixtrans-75-34.6177-17063.7000112R157 I158 G163 A164 L165R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 PolarHBondContact O-N 3.22Å; I158-L161 PolarHBondContact O-N 3.01Å; L161-G163 PolarHBondContact O-N 3.09Å; L161-A164 PolarHBondContact O-N 3.17Å; L161-A164 VanDerWaalsContact O-N 3.12Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.13Å
162F28.4Very low30.3Very low157 Ų157120.3 Ų120.369%0.68963%0.625SS**Hα-helixtrans-58.9-35.6172.1-89.2-76.3000112.3I158I158-F162 HydrophobicContact CG2-CD2 4.1Å; I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 VanDerWaalsContact O-CD2 3.28Å; I158-F162 WeakPolarHBondContact O-CD2 3.38Å; I158-F162 PolarHBondContact O-N 3.21Å
163G25.9Very low29.6Very low53 Ų53119.3 Ų119.355%0.54661%0.614SS.*Hα-helixtrans-70.9-30.1175.300000114.2N160 L161N160-G163 PolarHBondContact O-N 2.79Å; L161-G163 PolarHBondContact O-N 3.09Å
164A28.6Very low29.2Very low52 Ų52121.4 Ų121.443%0.4362%0.619SS.*Hα-helixtrans-89.3-22.2-174.600000114.1N160 L161 T167N160-A164 PolarHBondContact O-N 3.12Å; L161-A164 PolarHBondContact O-N 3.17Å; L161-A164 VanDerWaalsContact O-N 3.12Å; A164-T167 PolarHBondContact O-OG1 3.31Å; A164-T167 VanDerWaalsContact O-OG1 3.13Å
165L27.5Very low28.8Very low120 Ų120120.4 Ų120.463%0.62863%0.632SS**Hα-helixtrans-76.1-25.6178.1-76.3165.6000112.7L161 T167L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.13Å; L165-T167 PolarHBondContact O-N 3.04Å
166S29.5Very low28.4Very low93 Ų93120 Ų12065%0.6563%0.63SS**THydrogen-bonded Turntrans-71.1-12.5178.4-160.70000113.9
167T25.7Very low28Very low94 Ų94121.5 Ų121.558%0.57764%0.637SS**THydrogen-bonded Turntrans-107.2-9.4-174.555.10000114.3A164 L165A164-T167 PolarHBondContact O-OG1 3.31Å; A164-T167 VanDerWaalsContact O-OG1 3.13Å; L165-T167 PolarHBondContact O-N 3.04Å
168R26.8Very low27.9Very low201 Ų201120.5 Ų120.576%0.75864%0.64SS**THydrogen-bonded Turntrans-91.33.6-173.8-142.9171.4179.9176.3-1.3114.3D170R168-D170 VanDerWaalsContact C-N 3.34Å
169S27.6Very low27.8Very low72 Ų72121.1 Ų121.150%0.50366%0.657SS.*THydrogen-bonded Turntrans-75.7-19.4171.449.20000113.6
170D26.4Very low27.5Very low113 Ų113121.5 Ų121.560%0.60466%0.664SS**SBendtrans-89.1-22.5-163.8-64.5-6.3000113.8R168 L172R168-D170 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 2.81Å
171E30.3Very low27.3Very low172 Ų172121 Ų12180%0.80467%0.669SS**THydrogen-bonded Turntrans-83.5-8.9-175-73.1-175.2168.600115
172L27.4Very low27Very low146 Ų146121.5 Ų121.576%0.76468%0.681SS**THydrogen-bonded Turntrans-88.5-5.1179.4-70.6171.3000113.7D170D170-L172 PolarHBondContact O-N 2.81Å
173I25.4Very low27Very low110 Ų110119.5 Ų119.556%0.56469%0.687SS**SBendtrans-89.8-25.7-168.6-64.4178000113.3A175 F176I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.27Å; I173-F176 PolarHBondContact O-N 3.3Å
174E27.1Very low27.1Very low181 Ų181125.8 Ų125.885%0.84671%0.708SS**G310 helixtrans-70.3-26179.6-76.4-161.4156.400113.7F176E174-F176 VanDerWaalsContact C-N 3.28Å; E174-F176 PolarHBondContact O-N 2.86Å
175A25.6Very low27.1Very low90 Ų90126.3 Ų126.374%0.74472%0.718SS**G310 helixtrans-74.6-13.8-177.900000114.2I173I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.27Å
176F23.6Very low27.5Very low157 Ų157125.8 Ų125.869%0.68973%0.725SS**G310 helixtrans-92.7-14.8-175.6-132.4-94.9000113.9I173 E174I173-F176 PolarHBondContact O-N 3.3Å; E174-F176 VanDerWaalsContact C-N 3.28Å; E174-F176 PolarHBondContact O-N 2.86Å
177H24.8Very low27.8Very low159 Ų159128.4 Ų128.474%0.73674%0.736SS**SBendtrans-79.6-20.5-173.4-111.5-85.2000114.6
178E29.4Very low28.9Very low176 Ų176129 Ų12982%0.82273%0.733SS**SBendtrans-85.3-16.6-177.6-76-168.9152.500114.7
179A28.9Very low30.4Very low90 Ų90125.4 Ų125.474%0.74473%0.728SS**THydrogen-bonded Turntrans-90.5-3.3-172.500000115.4
180S27.7Very low32.4Very low102 Ų102125.8 Ų125.871%0.71372%0.724SS**THydrogen-bonded Turntrans-103.97.2-171.6-61.40000115.6
181S24.9Very low35.2Very low101 Ų101122.7 Ų122.771%0.70671%0.71SS**  trans-105.762.4-178.4450000112.9
182S25.3Very low38Very low112 Ų112115.1 Ų115.178%0.78367%0.674SS**  trans-172.6105.9148.850.60000112.8
183S28.5Very low40.9Very low116 Ų116111.8 Ų111.881%0.81165%0.654SS**  -174.3112.5129.550.70000109.5G185S183-G185 PolarHBondContact O-N 2.95Å
184N28.8Very low43.9Very low184 Ų184113.4 Ų113.498%0.98466%0.657SS**  trans-73.7102.1170.3-71.8-26.6000108.2
185G27.8Very low46.9Very low63 Ų63105.8 Ų105.865%0.64962%0.622SS**  trans-139.8133.6170.700000108.8S183 V187S183-G185 PolarHBondContact O-N 2.95Å; G185-V187 PolarHBondContact O-N 3.42Å
186S35.4Very low49.9Very low110 Ų110103 Ų10377%0.76959%0.594SS**  trans-28.3124.9-173.651.60000115.1E188S186-E188 PolarHBondContact O-N 3.02Å
187V37.4Very low52.7Low147 Ų14796.4 Ų96.489%0.89157%0.566SS**  trans-60.676.5175.7-174.30000110G185 D189G185-V187 PolarHBondContact O-N 3.42Å; V187-D189 PolarHBondContact O-N 2.95Å
188E47.7Very low54.9Low108 Ų10897 Ų9751%0.50556%0.562SS.*  trans-70.5115.8155.5-77.7-165.8171.700106S186 L190 Q240 R247S186-E188 PolarHBondContact O-N 3.02Å; E188-L190 PolarHBondContact O-N 2.93Å; E188-Q240 PolarHBondContact OE2-NE2 3.18Å; E188-R247 IonicContact OE2-NH1 3.36Å; E188-R247 PolarHBondContact OE2-NH1 3.32Å
189D58.5Low56.1Low124 Ų12492.7 Ų92.766%0.66355%0.545SS*.  trans-43.3110.1-177.7-164.56.1000110.5V187 T191V187-D189 PolarHBondContact O-N 2.95Å; D189-T191 HydrophobicContact CB-CG2 3.94Å; D189-T191 VanDerWaalsContact CG-CG2 3.46Å; D189-T191 PolarHBondContact O-N 3.43Å; D189-T191 WeakPolarHBondContact OD2-CG2 3.17Å
190L70.5Confident57.2Low80 Ų8094.8 Ų94.842%0.41954%0.539SS..  trans-72.449.4-176.7-72.7162000110.5E188 W192 E193E188-L190 PolarHBondContact O-N 2.93Å; L190-W192 HydrophobicContact CD2-CZ2 3.64Å; L190-W192 PolarHBondContact O-N 2.91Å; L190-E193 HydrophobicContact CB-CG 4.14Å; L190-E193 WeakPolarHBondContact O-CB 3.11Å; L190-E193 PolarHBondContact O-N 2.84Å
191T83.6Confident58.1Low49 Ų4995.9 Ų95.930%0.30154%0.542SS..THydrogen-bonded Turntrans-58.8-19.1-172.852.90000113.6D189 K194D189-T191 HydrophobicContact CB-CG2 3.94Å; D189-T191 VanDerWaalsContact CG-CG2 3.46Å; D189-T191 PolarHBondContact O-N 3.43Å; D189-T191 WeakPolarHBondContact OD2-CG2 3.17Å; T191-K194 WeakPolarHBondContact O-CE 3.39Å; T191-K194 WeakPolarHBondContact O-CG 3.48Å
192W89.7Confident59.1Low13 Ų1397.5 Ų97.55%0.04954%0.538CS..THydrogen-bonded Turntrans-75.6-24.5176.759-98.2000113.3L190 K194 F195 I196 D233 Y237 R241L190-W192 HydrophobicContact CD2-CZ2 3.64Å; L190-W192 PolarHBondContact O-N 2.91Å; W192-K194 VanDerWaalsContact C-N 3.26Å; W192-K194 PolarHBondContact O-N 3.01Å; W192-F195 PolarHBondContact O-N 2.96Å; W192-I196 HydrophobicContact CE3-CD1 4.06Å; W192-I196 HydrophobicContact CE3-CG1 3.7Å; W192-I196 HydrophobicContact CZ3-CG1 3.88Å; W192-D233 HydrophobicContact CB-CB 4.26Å; W192-D233 WeakPolarHBondContact CB-O 3.3Å; W192-Y237 HydrophobicContact CD2-CD2 4.09Å; W192-Y237 HydrophobicContact CD2-CG 4.48Å; W192-Y237 AromaticContact CE3-CD2 3.55Å; W192-Y237 HydrophobicContact CE3-CD2 3.55Å; W192-Y237 HydrophobicContact CE3-CG 4.25Å; W192-Y237 AromaticContact CH2-CD2 3.96Å; W192-Y237 HydrophobicContact CH2-CD2 3.96Å; W192-Y237 HydrophobicContact CZ2-CD2 4.41Å; W192-Y237 AromaticContact CZ3-CD2 3.49Å; W192-Y237 HydrophobicContact CZ3-CD2 3.49Å; W192-Y237 VanDerWaalsContact CZ3-CD2 3.49Å; W192-Y237 HydrophobicContact CZ3-CE2 4.09Å; W192-R241 HydrophobicContact CH2-CB 3.97Å; W192-R241 HydrophobicContact CH2-CG 4.23Å; W192-R241 HydrophobicContact CZ2-CB 4.02Å
193E88.2Confident60.2Low76 Ų76100.1 Ų100.136%0.35554%0.543SS..G310 helixtrans-60.3-35.7-173.6-80.8-168.3175.900113L190 F195 I196 R198L190-E193 HydrophobicContact CB-CG 4.14Å; L190-E193 WeakPolarHBondContact O-CB 3.11Å; L190-E193 PolarHBondContact O-N 2.84Å; E193-F195 PolarHBondContact O-N 2.76Å; E193-I196 PolarHBondContact O-N 2.85Å; E193-R198 IonicContact OE2-NH2 2.7Å
194K88.7Confident61.5Low144 Ų14496.9 Ų96.963%0.62652%0.518SS*.G310 helixtrans-66.4-16.4178.573.8-169.3178-177.20113.9T191 W192T191-K194 WeakPolarHBondContact O-CE 3.39Å; T191-K194 WeakPolarHBondContact O-CG 3.48Å; W192-K194 VanDerWaalsContact C-N 3.26Å; W192-K194 PolarHBondContact O-N 3.01Å
195F90.4Very high63.3Low21 Ų2193.7 Ų93.79%0.09251%0.511CS..G310 helixtrans-97.4-2.6179.2-59-67.4000113W192 E193 F225 L226 A229 D233W192-F195 PolarHBondContact O-N 2.96Å; E193-F195 PolarHBondContact O-N 2.76Å; F195-F225 HydrophobicContact CB-CD1 4.27Å; F195-F225 CarbonylContact O-C 3.58Å; F195-F225 WeakPolarHBondContact O-CA 3.31Å; F195-L226 PolarHBondContact O-N 2.95Å; F195-A229 HydrophobicContact CB-CB 3.77Å; F195-A229 HydrophobicContact CD1-CB 4.12Å; F195-A229 HydrophobicContact CD2-CB 4.25Å; F195-A229 HydrophobicContact CG-CB 3.82Å; F195-D233 HydrophobicContact CD2-CB 4.18Å; F195-D233 HydrophobicContact CE2-CB 4.33Å; F195-D233 WeakPolarHBondContact CE2-OD2 3.3Å
196I87.7Confident65.5Low31 Ų3195.7 Ų95.716%0.15950%0.503CS..BIsolated β-bridgetrans-85.3125.9-179.6-55.4-49.3000110.1W192 E193 R198 F225 Y237W192-I196 HydrophobicContact CE3-CD1 4.06Å; W192-I196 HydrophobicContact CE3-CG1 3.7Å; W192-I196 HydrophobicContact CZ3-CG1 3.88Å; E193-I196 PolarHBondContact O-N 2.85Å; I196-R198 HydrophobicContact CG2-CG 4.21Å; I196-R198 PolarHBondContact O-N 3.26Å; I196-F225 HydrophobicContact CD1-CD1 3.78Å; I196-F225 HydrophobicContact CD1-CD2 4.32Å; I196-F225 HydrophobicContact CD1-CE1 3.34Å; I196-F225 HydrophobicContact CD1-CE2 3.92Å; I196-F225 HydrophobicContact CD1-CG 4.26Å; I196-F225 HydrophobicContact CD1-CZ 3.42Å; I196-F225 VanDerWaalsContact CD1-CZ 3.42Å; I196-Y237 HydrophobicContact CD1-CD2 4.32Å
197V82.7Confident67.9Low19 Ų1994.4 Ų94.412%0.11549%0.492CS..  trans-85.2109.6173-177.50000108.9V204 Y208 R224 L226V197-V204 HydrophobicContact CG1-CG1 4.3Å; V197-V204 HydrophobicContact CG1-CG2 3.82Å; V197-V204 HydrophobicContact CG2-CG1 4.32Å; V197-Y208 HydrophobicContact CG2-CG 4.26Å; V197-R224 HydrophobicContact CB-CB 3.86Å; V197-R224 HydrophobicContact CG2-CB 4.45Å; V197-R224 PolarHBondContact N-O 3.34Å; V197-L226 HydrophobicContact CG2-CD2 3.69Å; V197-L226 HydrophobicContact CG2-CG 4.16Å
198R70.3Confident70.2Confident171 Ų17192 Ų9265%0.64547%0.467SS*.  trans-91-30.2-173.6-62.4-176.3-175.3-174.20.6114E193 I196E193-R198 IonicContact OE2-NH2 2.7Å; I196-R198 HydrophobicContact CG2-CG 4.21Å; I196-R198 PolarHBondContact O-N 3.26Å
199N56.1Low72Confident86 Ų8687 Ų8746%0.4645%0.445SS..  trans-137.8148.6-173.7-85.7-18.6000113
200E51.7Low73.2Confident133 Ų13382 Ų8262%0.62142%0.419SS*.SBendtrans-83.6-17.3170.7-73.5164.9-164.900112.5R224E200-R224 IonicContact OE1-CZ 2.67Å; E200-R224 VanDerWaalsContact OE1-CZ 3.26Å; E200-R224 IonicContact OE1-NH1 3.67Å; E200-R224 PolarHBondContact OE1-NH1 3.13Å; E200-R224 IonicContact OE1-NH2 3.55Å; E200-R224 PolarHBondContact OE1-NH2 2.83Å
201T45.2Very low73.9Confident125 Ų12578.3 Ų78.377%0.76740%0.399SS*.SBendtrans-79.3-19.8-178.542.10000114.2N203T201-N203 PolarHBondContact O-N 2.78Å
202E45.9Very low73.8Confident136 Ų13676.4 Ų76.464%0.63639%0.387SS*.SBendtrans-72.8124.5162.2-73.4176.8-178.700106V204E202-V204 HydrophobicContact CB-CG2 4.39Å; E202-V204 WeakPolarHBondContact O-CG2 3.42Å; E202-V204 PolarHBondContact O-N 2.76Å
203N50Low73.5Confident167 Ų16775.8 Ų75.889%0.89339%0.385SS*.  trans-57.987.4165.4-87.7-45.1000107.1T201 S205T201-N203 PolarHBondContact O-N 2.78Å; N203-S205 PolarHBondContact O-N 2.93Å
204V54.3Low73.1Confident47 Ų4775.9 Ų75.929%0.28538%0.382SS..  trans-72.783.9178.9-165.20000105.4V197 E202 E206 Y208 L226V197-V204 HydrophobicContact CG1-CG1 4.3Å; V197-V204 HydrophobicContact CG1-CG2 3.82Å; V197-V204 HydrophobicContact CG2-CG1 4.32Å; E202-V204 HydrophobicContact CB-CG2 4.39Å; E202-V204 WeakPolarHBondContact O-CG2 3.42Å; E202-V204 PolarHBondContact O-N 2.76Å; V204-E206 WeakPolarHBondContact CG1-O 3.17Å; V204-E206 PolarHBondContact O-N 2.84Å; V204-Y208 HydrophobicContact CG1-CD1 4.3Å; V204-L226 HydrophobicContact CG1-CD2 4.26Å
205S66.6Low72.7Confident118 Ų11869.8 Ų69.883%0.82536%0.356SS*.  trans-62.6-24.3175.9-168.90000110.4N203N203-S205 PolarHBondContact O-N 2.93Å
206E74.4Confident72.1Confident104 Ų10473.1 Ų73.149%0.48639%0.387SS..SBendtrans-83.7133.1-178-64-168-168.900112.4V204 L226V204-E206 WeakPolarHBondContact CG1-O 3.17Å; V204-E206 PolarHBondContact O-N 2.84Å; E206-L226 HydrophobicContact CB-CD2 3.8Å; E206-L226 WeakPolarHBondContact OE2-CD1 3.32Å
207P85.5Confident71.5Confident83 Ų8377.6 Ų77.654%0.53941%0.411SS..  trans-62.3139.6178.123.4-31.2000111.4T227P207-T227 HydrophobicContact CB-CG2 4.13Å; P207-T227 WeakPolarHBondContact CG-OG1 3.43Å; P207-T227 PolarHBondContact O-N 2.96Å; P207-T227 PolarHBondContact O-OG1 2.84Å
208Y86.6Confident70.8Confident96 Ų9679.4 Ų79.438%0.37643%0.434SS..EExtended strand (participates in β ladder)trans-134.7161.1178.870-94.1000111.9V197 V204 R224 F225V197-Y208 HydrophobicContact CG2-CG 4.26Å; V204-Y208 HydrophobicContact CG1-CD1 4.3Å; Y208-R224 HydrophobicContact CD2-CB 4.23Å; Y208-R224 HydrophobicContact CD2-CG 4.34Å; Y208-R224 HydrophobicContact CE2-CG 4.34Å; Y208-F225 CarbonylContact C-O 3.4Å; Y208-F225 WeakPolarHBondContact CA-O 3.36Å; Y208-F225 VanDerWaalsContact CB-O 3.26Å; Y208-F225 WeakPolarHBondContact CB-O 3.21Å
209V84.8Confident70.9Confident4 Ų473.9 Ų73.92%0.02442%0.421CS..EExtended strand (participates in β ladder)trans-123.1139.5173.559.80000110L211 R224 F225 L269 L274 N275V209-L211 HydrophobicContact CG1-CD2 4.16Å; V209-L211 HydrophobicContact CG1-CG 4.35Å; V209-L211 HydrophobicContact CG2-CD2 3.88Å; V209-R224 WeakPolarHBondContact O-CA 3.22Å; V209-F225 HydrophobicContact CG1-CB 4.39Å; V209-F225 PolarHBondContact N-O 2.96Å; V209-F225 PolarHBondContact O-N 2.79Å; V209-L269 HydrophobicContact CG1-CB 4.19Å; V209-L269 HydrophobicContact CG1-CD1 3.52Å; V209-L269 HydrophobicContact CG1-CG 4.42Å; V209-L274 HydrophobicContact CG1-CD1 4.36Å; V209-L274 HydrophobicContact CG2-CB 4.13Å; V209-L274 HydrophobicContact CG2-CD1 4.22Å; V209-N275 WeakPolarHBondContact CG2-O 3.18Å
210T84.4Confident72Confident19 Ų1975.5 Ų75.512%0.11742%0.421CS..EExtended strand (participates in β ladder)trans-91.4114172.9-58.90000109.8I222 R224 S276 Q277 E278T210-I222 HydrophobicContact CG2-CG2 3.6Å; T210-R224 HydrophobicContact CG2-CG 4.43Å; T210-S276 PolarHBondContact N-O 2.94Å; T210-Q277 HydrophobicContact CG2-CG 4.05Å; T210-Q277 CarbonylContact O-C 3.52Å; T210-Q277 VanDerWaalsContact O-CA 3.22Å; T210-Q277 WeakPolarHBondContact O-CA 3.44Å; T210-E278 PolarHBondContact O-N 2.84Å
211L85Confident73.3Confident3 Ų370.4 Ų70.42%0.01640%0.4CS..EExtended strand (participates in β ladder)trans-98.9123.9176.5-57.7-177.4000110V209 F213 I222 C223 F225 V234 L269 L274 E278 V280V209-L211 HydrophobicContact CG1-CD2 4.16Å; V209-L211 HydrophobicContact CG1-CG 4.35Å; V209-L211 HydrophobicContact CG2-CD2 3.88Å; L211-F213 HydrophobicContact CB-CE1 4.08Å; L211-F213 HydrophobicContact CB-CE2 4.11Å; L211-F213 HydrophobicContact CB-CZ 3.7Å; L211-F213 HydrophobicContact CD1-CE1 4.23Å; L211-F213 HydrophobicContact CD1-CZ 3.94Å; L211-F213 HydrophobicContact CG-CZ 4.49Å; L211-I222 WeakPolarHBondContact O-CA 3.39Å; L211-C223 PolarHBondContact N-O 3.47Å; L211-C223 PolarHBondContact O-N 3.01Å; L211-F225 HydrophobicContact CD1-CD2 3.87Å; L211-F225 HydrophobicContact CD1-CE2 4.31Å; L211-F225 HydrophobicContact CD1-CG 4.49Å; L211-F225 HydrophobicContact CG-CD2 4.34Å; L211-V234 HydrophobicContact CD1-CG1 3.78Å; L211-V234 HydrophobicContact CD1-CG2 3.89Å; L211-L269 HydrophobicContact CD1-CD1 4.32Å; L211-L274 HydrophobicContact CD2-CD1 4.15Å; L211-E278 HydrophobicContact CD2-CB 4.06Å; L211-V280 HydrophobicContact CB-CG2 4.16Å; L211-V280 HydrophobicContact CD2-CG2 3.93Å; L211-V280 HydrophobicContact CG-CG2 4.44Å
212I81.3Confident75Confident9 Ų968.6 Ų68.65%0.04638%0.384CS..EExtended strand (participates in β ladder)trans-101.898.9173.1-49.1172.6000107.8T77 Q79 S221 I222 Q277 E278 I279 V280T77-I212 HydrophobicContact CG2-CD1 3.85Å; Q79-I212 HydrophobicContact CB-CD1 4.41Å; I212-S221 CarbonylContact C-O 3.57Å; I212-S221 WeakPolarHBondContact CA-O 3.27Å; I212-I222 HydrophobicContact CG1-CG1 4.3Å; I212-I222 HydrophobicContact CG2-CG1 4.17Å; I212-Q277 HydrophobicContact CD1-CG 4.08Å; I212-Q277 HydrophobicContact CG1-CG 4.24Å; I212-E278 PolarHBondContact N-O 3.32Å; I212-I279 HydrophobicContact CB-CG1 4.31Å; I212-I279 HydrophobicContact CD1-CG1 4.17Å; I212-I279 WeakPolarHBondContact O-CA 3.38Å; I212-V280 PolarHBondContact O-N 2.85Å
213F83.4Confident76.8Confident0 Ų062.6 Ų62.60%036%0.358CS..EExtended strand (participates in β ladder)trans-73.6129.3175.1-54.4-69.6000110.3L211 F215 R220 S221 C223 F225 V234 Y237 V238 L242 V280 F282L211-F213 HydrophobicContact CB-CE1 4.08Å; L211-F213 HydrophobicContact CB-CE2 4.11Å; L211-F213 HydrophobicContact CB-CZ 3.7Å; L211-F213 HydrophobicContact CD1-CE1 4.23Å; L211-F213 HydrophobicContact CD1-CZ 3.94Å; L211-F213 HydrophobicContact CG-CZ 4.49Å; F213-F215 HydrophobicContact CB-CE1 4.25Å; F213-F215 HydrophobicContact CB-CE2 3.9Å; F213-F215 HydrophobicContact CB-CZ 3.61Å; F213-F215 HydrophobicContact CG-CZ 4.42Å; F213-R220 CarbonylContact O-C 3.53Å; F213-R220 WeakPolarHBondContact O-CA 3.42Å; F213-S221 PolarHBondContact N-O 2.76Å; F213-S221 PolarHBondContact O-N 3.48Å; F213-C223 HydrophobicContact CE2-CB 3.86Å; F213-F225 HydrophobicContact CE2-CE2 4.36Å; F213-F225 HydrophobicContact CZ-CE2 4.06Å; F213-V234 HydrophobicContact CE1-CG1 3.68Å; F213-V234 HydrophobicContact CZ-CG1 3.76Å; F213-Y237 HydrophobicContact CD2-CE1 4.2Å; F213-Y237 HydrophobicContact CE2-CD1 4.03Å; F213-Y237 AromaticContact CE2-CE1 3.56Å; F213-Y237 HydrophobicContact CE2-CE1 3.56Å; F213-Y237 HydrophobicContact CZ-CD1 4.24Å; F213-Y237 HydrophobicContact CZ-CE1 4.23Å; F213-V238 HydrophobicContact CD1-CG2 3.82Å; F213-V238 HydrophobicContact CD2-CG2 4.25Å; F213-V238 HydrophobicContact CE1-CG2 3.64Å; F213-V238 HydrophobicContact CE2-CG2 4.1Å; F213-V238 HydrophobicContact CG-CG2 4.12Å; F213-V238 HydrophobicContact CZ-CG2 3.79Å; F213-L242 HydrophobicContact CD2-CD1 4Å; F213-V280 CarbonylContact C-O 3.58Å; F213-V280 WeakPolarHBondContact CA-O 3.5Å; F213-V280 HydrophobicContact CD1-CB 3.83Å; F213-V280 HydrophobicContact CD1-CG1 3.88Å; F213-V280 HydrophobicContact CD1-CG2 4.49Å; F213-V280 HydrophobicContact CE1-CB 4.17Å; F213-V280 HydrophobicContact CE1-CG1 4.09Å; F213-V280 HydrophobicContact CE1-CG2 4.4Å; F213-F282 HydrophobicContact CB-CE2 4.36Å; F213-F282 AromaticContact CD1-CE2 3.67Å; F213-F282 HydrophobicContact CD1-CE2 3.67Å; F213-F282 AromaticContact CD1-CZ 3.74Å; F213-F282 HydrophobicContact CD1-CZ 3.74Å; F213-F282 HydrophobicContact CE1-CE2 4.47Å; F213-F282 HydrophobicContact CE1-CZ 4.09Å; F213-F282 HydrophobicContact CG-CE2 4.36Å
214R80.8Confident78.6Confident77 Ų7758 Ų5829%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-116.6127.6172.4176.5-175.1-60.9-177.91.3108.8I279 V280 D281R214-I279 HydrophobicContact CB-CG2 4.49Å; R214-V280 PolarHBondContact N-O 3.23Å; R214-D281 VanDerWaalsContact CB-OD1 3.27Å; R214-D281 WeakPolarHBondContact CB-OD1 3.33Å; R214-D281 WeakPolarHBondContact CD-OD1 3.49Å; R214-D281 WeakPolarHBondContact CG-OD1 3.49Å
215F78.9Confident80.3Confident17 Ų1755.7 Ų55.78%0.07531%0.314CS..  trans-107158.6-174.7-59.6-69.6000111.4F213 N217 G218 S219 V238 L242 Y244 F282F213-F215 HydrophobicContact CB-CE1 4.25Å; F213-F215 HydrophobicContact CB-CE2 3.9Å; F213-F215 HydrophobicContact CB-CZ 3.61Å; F213-F215 HydrophobicContact CG-CZ 4.42Å; F215-N217 WeakPolarHBondContact CB-OD1 3.49Å; F215-N217 PolarHBondContact O-N 2.96Å; F215-G218 PolarHBondContact O-N 2.69Å; F215-S219 WeakPolarHBondContact CD2-OG 3.42Å; F215-S219 PolarHBondContact N-O 3.33Å; F215-V238 HydrophobicContact CE1-CG1 3.8Å; F215-V238 HydrophobicContact CZ-CG1 4.15Å; F215-L242 HydrophobicContact CE2-CD1 4.2Å; F215-L242 HydrophobicContact CZ-CB 4.24Å; F215-L242 HydrophobicContact CZ-CD1 3.66Å; F215-Y244 HydrophobicContact CB-CE2 4.32Å; F215-Y244 AromaticContact CD1-CD1 3.82Å; F215-Y244 HydrophobicContact CD1-CD1 3.82Å; F215-Y244 AromaticContact CD1-CD2 3.46Å; F215-Y244 HydrophobicContact CD1-CD2 3.46Å; F215-Y244 VanDerWaalsContact CD1-CD2 3.46Å; F215-Y244 HydrophobicContact CD1-CE1 4.07Å; F215-Y244 AromaticContact CD1-CE2 3.73Å; F215-Y244 HydrophobicContact CD1-CE2 3.73Å; F215-Y244 AromaticContact CD1-CG 3.5Å; F215-Y244 HydrophobicContact CD1-CG 3.5Å; F215-Y244 VanDerWaalsContact CD1-CG 3.5Å; F215-Y244 AromaticContact CD1-CZ 4Å; F215-Y244 AromaticContact CE1-CD1 3.81Å; F215-Y244 HydrophobicContact CE1-CD1 3.81Å; F215-Y244 HydrophobicContact CE1-CD2 4.03Å; F215-Y244 HydrophobicContact CE1-CE1 4.41Å; F215-Y244 AromaticContact CE1-CG 3.58Å; F215-Y244 HydrophobicContact CE1-CG 3.58Å; F215-Y244 HydrophobicContact CG-CD2 4.27Å; F215-Y244 HydrophobicContact CG-CE2 4.45Å; F215-F282 HydrophobicContact CD1-CD2 4.36Å; F215-F282 HydrophobicContact CE1-CD2 4.15Å; F215-F282 AromaticContact CE1-CE2 4Å; F215-F282 HydrophobicContact CE1-CE2 4Å
216A78.4Confident81.4Confident91 Ų9151.1 Ų51.175%0.75228%0.28SS*.THydrogen-bonded Turntrans-63.9-21.4-178.400000113.9G218A216-G218 PolarHBondContact O-N 2.68Å
217N75Confident82.2Confident125 Ų12547.2 Ų47.267%0.66826%0.263SS*.THydrogen-bonded Turntrans-79.62173.264.8-2.8000113F215 S219F215-N217 WeakPolarHBondContact CB-OD1 3.49Å; F215-N217 PolarHBondContact O-N 2.96Å; N217-S219 VanDerWaalsContact C-N 3.28Å; N217-S219 PolarHBondContact ND2-OG 3.19Å; N217-S219 PolarHBondContact O-N 3.27Å; N217-S219 WeakPolarHBondContact OD1-CB 3.43Å; N217-S219 PolarHBondContact OD1-N 3.46Å; N217-S219 PolarHBondContact OD1-OG 2.89Å
218G69Low82.5Confident57 Ų5746.5 Ų46.559%0.58826%0.257SS*.SBendtrans83.7-7.9-177.300000114.7F215 A216F215-G218 PolarHBondContact O-N 2.69Å; A216-G218 PolarHBondContact O-N 2.68Å
219S72.3Confident82.9Confident54 Ų5441.9 Ų41.938%0.37824%0.239SC..  trans-70.8156.2176.977.50000111.3F215 N217F215-S219 WeakPolarHBondContact CD2-OG 3.42Å; F215-S219 PolarHBondContact N-O 3.33Å; N217-S219 VanDerWaalsContact C-N 3.28Å; N217-S219 PolarHBondContact ND2-OG 3.19Å; N217-S219 PolarHBondContact O-N 3.27Å; N217-S219 WeakPolarHBondContact OD1-CB 3.43Å; N217-S219 PolarHBondContact OD1-N 3.46Å; N217-S219 PolarHBondContact OD1-OG 2.89Å
220R78.3Confident83.4Confident121 Ų12145.8 Ų45.846%0.45725%0.254SS..EExtended strand (participates in β ladder)trans-129.5145.6178.5-58.1179.8-172.4-1791.3109.8Y61 F213Y61-R220 PolarHBondContact OH-NH2 2.98Å; Y61-R220 VanDerWaalsContact OH-NH2 3.1Å; F213-R220 CarbonylContact O-C 3.53Å; F213-R220 WeakPolarHBondContact O-CA 3.42Å
221S79.1Confident83.9Confident26 Ų2645.1 Ų45.118%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-134.7144.1171-174.30000109.1I212 F213I212-S221 CarbonylContact C-O 3.57Å; I212-S221 WeakPolarHBondContact CA-O 3.27Å; F213-S221 PolarHBondContact N-O 2.76Å; F213-S221 PolarHBondContact O-N 3.48Å
222I82Confident84.4Confident86 Ų8650.4 Ų50.444%0.44127%0.269SS..EExtended strand (participates in β ladder)trans-117.6133.7-179.4-57.9176.3000108T210 L211 I212T210-I222 HydrophobicContact CG2-CG2 3.6Å; L211-I222 WeakPolarHBondContact O-CA 3.39Å; I212-I222 HydrophobicContact CG1-CG1 4.3Å; I212-I222 HydrophobicContact CG2-CG1 4.17Å
223C83.3Confident85.1Confident11 Ų1150.4 Ų50.47%0.07427%0.269CS..EExtended strand (participates in β ladder)trans-145.6142.2175.1-163.20000111.1L211 F213 F225 Y237L211-C223 PolarHBondContact N-O 3.47Å; L211-C223 PolarHBondContact O-N 3.01Å; F213-C223 HydrophobicContact CE2-CB 3.86Å; C223-F225 HydrophobicContact CB-CD2 4.28Å; C223-F225 HydrophobicContact CB-CE2 3.83Å; C223-Y237 HydrophobicContact CB-CE1 3.82Å; C223-Y237 VanDerWaalsContact SG-CZ 3.58Å
224R86.7Confident85.6Confident69 Ų6950.4 Ų50.426%0.2627%0.269SS..EExtended strand (participates in β ladder)trans-100124177.4-65.2175.2-178.1157.6-8109V197 E200 Y208 V209 T210V197-R224 HydrophobicContact CB-CB 3.86Å; V197-R224 HydrophobicContact CG2-CB 4.45Å; V197-R224 PolarHBondContact N-O 3.34Å; E200-R224 IonicContact OE1-CZ 2.67Å; E200-R224 VanDerWaalsContact OE1-CZ 3.26Å; E200-R224 IonicContact OE1-NH1 3.67Å; E200-R224 PolarHBondContact OE1-NH1 3.13Å; E200-R224 IonicContact OE1-NH2 3.55Å; E200-R224 PolarHBondContact OE1-NH2 2.83Å; Y208-R224 HydrophobicContact CD2-CB 4.23Å; Y208-R224 HydrophobicContact CD2-CG 4.34Å; Y208-R224 HydrophobicContact CE2-CG 4.34Å; V209-R224 WeakPolarHBondContact O-CA 3.22Å; T210-R224 HydrophobicContact CG2-CG 4.43Å
225F90.2Very high86.3Confident0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-116.1136.9178.6-80-96000110.6F195 I196 Y208 V209 L211 F213 C223 A229 V234 Y237 L269F195-F225 HydrophobicContact CB-CD1 4.27Å; F195-F225 CarbonylContact O-C 3.58Å; F195-F225 WeakPolarHBondContact O-CA 3.31Å; I196-F225 HydrophobicContact CD1-CD1 3.78Å; I196-F225 HydrophobicContact CD1-CD2 4.32Å; I196-F225 HydrophobicContact CD1-CE1 3.34Å; I196-F225 HydrophobicContact CD1-CE2 3.92Å; I196-F225 HydrophobicContact CD1-CG 4.26Å; I196-F225 HydrophobicContact CD1-CZ 3.42Å; I196-F225 VanDerWaalsContact CD1-CZ 3.42Å; Y208-F225 CarbonylContact C-O 3.4Å; Y208-F225 WeakPolarHBondContact CA-O 3.36Å; Y208-F225 VanDerWaalsContact CB-O 3.26Å; Y208-F225 WeakPolarHBondContact CB-O 3.21Å; V209-F225 HydrophobicContact CG1-CB 4.39Å; V209-F225 PolarHBondContact N-O 2.96Å; V209-F225 PolarHBondContact O-N 2.79Å; L211-F225 HydrophobicContact CD1-CD2 3.87Å; L211-F225 HydrophobicContact CD1-CE2 4.31Å; L211-F225 HydrophobicContact CD1-CG 4.49Å; L211-F225 HydrophobicContact CG-CD2 4.34Å; F213-F225 HydrophobicContact CE2-CE2 4.36Å; F213-F225 HydrophobicContact CZ-CE2 4.06Å; C223-F225 HydrophobicContact CB-CD2 4.28Å; C223-F225 HydrophobicContact CB-CE2 3.83Å; F225-A229 HydrophobicContact CB-CB 4.34Å; F225-A229 HydrophobicContact CD1-CB 3.88Å; F225-V234 HydrophobicContact CD1-CG2 3.96Å; F225-V234 HydrophobicContact CD2-CG2 4.4Å; F225-V234 HydrophobicContact CE1-CG2 3.92Å; F225-V234 HydrophobicContact CE2-CG2 4.36Å; F225-V234 HydrophobicContact CG-CG2 4.2Å; F225-V234 HydrophobicContact CZ-CB 4.46Å; F225-V234 HydrophobicContact CZ-CG2 4.12Å; F225-Y237 AromaticContact CE2-CD1 3.99Å; F225-Y237 HydrophobicContact CE2-CD1 3.99Å; F225-Y237 HydrophobicContact CE2-CE1 4.34Å; F225-Y237 HydrophobicContact CE2-CG 4.38Å; F225-Y237 AromaticContact CZ-CD1 3.66Å; F225-Y237 HydrophobicContact CZ-CD1 3.66Å; F225-Y237 HydrophobicContact CZ-CD2 4.37Å; F225-Y237 HydrophobicContact CZ-CE1 4.39Å; F225-Y237 AromaticContact CZ-CG 3.65Å; F225-Y237 HydrophobicContact CZ-CG 3.65Å; F225-L269 HydrophobicContact CB-CD1 3.55Å; F225-L269 HydrophobicContact CG-CD1 4.22Å
226L91.1Very high87Confident22 Ų2246.7 Ų46.712%0.11526%0.258CS..EExtended strand (participates in β ladder)trans-56.2141.8164.3-63.3177.5000109.8F195 V197 V204 E206 T228 A229F195-L226 PolarHBondContact O-N 2.95Å; V197-L226 HydrophobicContact CG2-CD2 3.69Å; V197-L226 HydrophobicContact CG2-CG 4.16Å; V204-L226 HydrophobicContact CG1-CD2 4.26Å; E206-L226 HydrophobicContact CB-CD2 3.8Å; E206-L226 WeakPolarHBondContact OE2-CD1 3.32Å; L226-T228 PolarHBondContact O-N 3.16Å; L226-T228 VanDerWaalsContact O-N 3.09Å; L226-A229 WeakPolarHBondContact O-CB 3.47Å; L226-A229 PolarHBondContact O-N 2.78Å
227T91.1Very high87.7Confident21 Ų2143.2 Ų43.213%0.12923%0.225CC..THydrogen-bonded Turntrans-67.5-13.1-178.960.10000112.8P207 A229 L269 H270P207-T227 HydrophobicContact CB-CG2 4.13Å; P207-T227 WeakPolarHBondContact CG-OG1 3.43Å; P207-T227 PolarHBondContact O-N 2.96Å; P207-T227 PolarHBondContact O-OG1 2.84Å; T227-A229 VanDerWaalsContact C-N 3.29Å; T227-L269 PolarHBondContact O-N 3.15Å; T227-H270 WeakPolarHBondContact O-CB 3.4Å; T227-H270 PolarHBondContact O-N 3.28Å
228T91.4Very high88.5Confident68 Ų6837.3 Ų37.342%0.41719%0.193SC..THydrogen-bonded Turntrans-75.2-14.9172.454.70000113.5L226L226-T228 PolarHBondContact O-N 3.16Å; L226-T228 VanDerWaalsContact O-N 3.09Å
229A94.9Very high89.6Confident0 Ų037.7 Ų37.70%018%0.18CC..  trans-61.7147.8172.900000110.7F195 F225 L226 T227 T268 L269F195-A229 HydrophobicContact CB-CB 3.77Å; F195-A229 HydrophobicContact CD1-CB 4.12Å; F195-A229 HydrophobicContact CD2-CB 4.25Å; F195-A229 HydrophobicContact CG-CB 3.82Å; F225-A229 HydrophobicContact CB-CB 4.34Å; F225-A229 HydrophobicContact CD1-CB 3.88Å; L226-A229 WeakPolarHBondContact O-CB 3.47Å; L226-A229 PolarHBondContact O-N 2.78Å; T227-A229 VanDerWaalsContact C-N 3.29Å; A229-T268 CarbonylContact O-C 3.46Å; A229-T268 WeakPolarHBondContact O-CA 3.3Å; A229-L269 HydrophobicContact CB-CD1 4.01Å; A229-L269 HydrophobicContact CB-CG 4.35Å; A229-L269 WeakPolarHBondContact O-CG 3.35Å; A229-L269 PolarHBondContact O-N 2.83Å
230R96.1Very high90.3Very high86 Ų8637.4 Ų37.433%0.32517%0.173SC..BIsolated β-bridgetrans-96.5161.7174.2-61.4176.5-179.688.5-0.8112R232 D233 V234 D266 C267 T268R230-R232 HydrophobicContact CB-CG 3.97Å; R230-R232 PolarHBondContact O-N 2.81Å; R230-D233 VanDerWaalsContact CB-OD2 3.31Å; R230-D233 WeakPolarHBondContact CB-OD2 3.37Å; R230-D233 PolarHBondContact N-OD2 3.23Å; R230-D233 WeakPolarHBondContact O-CB 3.17Å; R230-D233 PolarHBondContact O-N 3.28Å; R230-V234 PolarHBondContact O-N 3.22Å; R230-V234 VanDerWaalsContact O-N 3.14Å; R230-D266 WeakPolarHBondContact CD-O 3.39Å; R230-D266 WeakPolarHBondContact CG-O 3.33Å; R230-C267 CarbonylContact C-O 3.56Å; R230-C267 WeakPolarHBondContact CA-O 3.44Å; R230-T268 HydrophobicContact CG-CG2 4.18Å
231V94.9Very high90.7Very high5 Ų538 Ų383%0.0318%0.175CC..Hα-helixtrans-54.5-40.4173.8175.60000111.5D233 V234 C235 L251 H264 C267 L272V231-D233 VanDerWaalsContact C-N 3.28Å; V231-D233 PolarHBondContact O-N 2.91Å; V231-V234 PolarHBondContact O-N 3Å; V231-C235 PolarHBondContact O-N 3.48Å; V231-C235 PolarHBondContact O-SG 3.24Å; V231-L251 HydrophobicContact CG1-CD1 4.4Å; V231-H264 WeakPolarHBondContact CB-O 3.26Å; V231-H264 VanDerWaalsContact CG2-O 3.31Å; V231-H264 WeakPolarHBondContact CG2-O 3.21Å; V231-C267 PolarHBondContact N-O 2.81Å; V231-L272 HydrophobicContact CG2-CD1 3.64Å; V231-L272 HydrophobicContact CG2-CG 4.5Å
232R94.3Very high91Very high114 Ų11438.7 Ų38.743%0.4318%0.176SC..Hα-helixtrans-62.3-33.417670.8-170.4-169.7-177.55.5113.3R230 C235 A236 A265 D266R230-R232 HydrophobicContact CB-CG 3.97Å; R230-R232 PolarHBondContact O-N 2.81Å; R232-C235 PolarHBondContact O-N 3.29Å; R232-A236 WeakPolarHBondContact O-CB 3.43Å; R232-A236 PolarHBondContact O-N 3.37Å; R232-A265 HydrophobicContact CB-CB 4.22Å; R232-A265 VanDerWaalsContact CB-O 3.3Å; R232-A265 WeakPolarHBondContact CB-O 3.39Å; R232-A265 WeakPolarHBondContact CG-O 3.48Å; R232-A265 PolarHBondContact N-O 2.64Å; R232-D266 WeakPolarHBondContact CD-OD1 3.16Å; R232-D266 IonicContact CZ-OD1 3.68Å; R232-D266 IonicContact NE-OD1 2.78Å; R232-D266 IonicContact NH1-OD1 3.5Å; R232-D266 PolarHBondContact NH1-OD1 3.19Å
233D95.4Very high91.2Very high8 Ų842.3 Ų42.34%0.04319%0.191CC..Hα-helixtrans-71.7-40.8179.8-53.4-38.3000109.5W192 F195 R230 V231 A236 Y237W192-D233 HydrophobicContact CB-CB 4.26Å; W192-D233 WeakPolarHBondContact CB-O 3.3Å; F195-D233 HydrophobicContact CD2-CB 4.18Å; F195-D233 HydrophobicContact CE2-CB 4.33Å; F195-D233 WeakPolarHBondContact CE2-OD2 3.3Å; R230-D233 VanDerWaalsContact CB-OD2 3.31Å; R230-D233 WeakPolarHBondContact CB-OD2 3.37Å; R230-D233 PolarHBondContact N-OD2 3.23Å; R230-D233 WeakPolarHBondContact O-CB 3.17Å; R230-D233 PolarHBondContact O-N 3.28Å; V231-D233 VanDerWaalsContact C-N 3.28Å; V231-D233 PolarHBondContact O-N 2.91Å; D233-A236 PolarHBondContact O-N 3.3Å; D233-Y237 PolarHBondContact O-N 3.48Å
234V95.3Very high91.4Very high0 Ų043.2 Ų43.20%019%0.193CC..Hα-helixtrans-60.9-47.1171.7176.70000111.3L211 F213 F225 R230 V231 A236 Y237 V238 L251 L269L211-V234 HydrophobicContact CD1-CG1 3.78Å; L211-V234 HydrophobicContact CD1-CG2 3.89Å; F213-V234 HydrophobicContact CE1-CG1 3.68Å; F213-V234 HydrophobicContact CZ-CG1 3.76Å; F225-V234 HydrophobicContact CD1-CG2 3.96Å; F225-V234 HydrophobicContact CD2-CG2 4.4Å; F225-V234 HydrophobicContact CE1-CG2 3.92Å; F225-V234 HydrophobicContact CE2-CG2 4.36Å; F225-V234 HydrophobicContact CG-CG2 4.2Å; F225-V234 HydrophobicContact CZ-CB 4.46Å; F225-V234 HydrophobicContact CZ-CG2 4.12Å; R230-V234 PolarHBondContact O-N 3.22Å; R230-V234 VanDerWaalsContact O-N 3.14Å; V231-V234 PolarHBondContact O-N 3Å; V234-A236 VanDerWaalsContact C-N 3.33Å; V234-A236 PolarHBondContact O-N 2.87Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 3.35Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 2.71Å; V234-L251 HydrophobicContact CG1-CD1 3.95Å; V234-L269 HydrophobicContact CG2-CD1 4Å; V234-L269 HydrophobicContact CG2-CD2 4.07Å; V234-L269 HydrophobicContact CG2-CG 4.43Å
235C94.7Very high91.6Very high13 Ų1342.7 Ų42.79%0.08820%0.198CC..Hα-helixtrans-62.8-39.2176.9-71.30000112.1V231 R232 V238 E239 A246 R247V231-C235 PolarHBondContact O-N 3.48Å; V231-C235 PolarHBondContact O-SG 3.24Å; R232-C235 PolarHBondContact O-N 3.29Å; C235-V238 PolarHBondContact O-N 3.47Å; C235-E239 WeakPolarHBondContact O-CB 3.39Å; C235-E239 PolarHBondContact O-N 3.34Å; C235-A246 HydrophobicContact CB-CB 4.11Å; C235-R247 HydrophobicContact CB-CG 4.05Å
236A93.8Very high91.6Very high4 Ų442.7 Ų42.73%0.03320%0.198CC..Hα-helixtrans-62.4-45.3175.500000111.8R232 D233 V234 V238 E239 Q240 R247R232-A236 WeakPolarHBondContact O-CB 3.43Å; R232-A236 PolarHBondContact O-N 3.37Å; D233-A236 PolarHBondContact O-N 3.3Å; V234-A236 VanDerWaalsContact C-N 3.33Å; V234-A236 PolarHBondContact O-N 2.87Å; A236-V238 PolarHBondContact O-N 3.25Å; A236-E239 PolarHBondContact O-N 3.17Å; A236-Q240 VanDerWaalsContact O-CB 3.31Å; A236-Q240 WeakPolarHBondContact O-CB 3.19Å; A236-Q240 WeakPolarHBondContact O-CG 3.44Å; A236-Q240 PolarHBondContact O-N 3.35Å; A236-R247 VanDerWaalsContact CB-NH2 3.3Å
237Y93.6Very high91.4Very high18 Ų1846.2 Ų46.27%0.07121%0.21CC..Hα-helixtrans-56.3-50.4173.7162.5-99.5000111.8W192 I196 F213 C223 F225 D233 V234 E239 Q240 R241 L242W192-Y237 HydrophobicContact CD2-CD2 4.09Å; W192-Y237 HydrophobicContact CD2-CG 4.48Å; W192-Y237 AromaticContact CE3-CD2 3.55Å; W192-Y237 HydrophobicContact CE3-CD2 3.55Å; W192-Y237 HydrophobicContact CE3-CG 4.25Å; W192-Y237 AromaticContact CH2-CD2 3.96Å; W192-Y237 HydrophobicContact CH2-CD2 3.96Å; W192-Y237 HydrophobicContact CZ2-CD2 4.41Å; W192-Y237 AromaticContact CZ3-CD2 3.49Å; W192-Y237 HydrophobicContact CZ3-CD2 3.49Å; W192-Y237 VanDerWaalsContact CZ3-CD2 3.49Å; W192-Y237 HydrophobicContact CZ3-CE2 4.09Å; I196-Y237 HydrophobicContact CD1-CD2 4.32Å; F213-Y237 HydrophobicContact CD2-CE1 4.2Å; F213-Y237 HydrophobicContact CE2-CD1 4.03Å; F213-Y237 AromaticContact CE2-CE1 3.56Å; F213-Y237 HydrophobicContact CE2-CE1 3.56Å; F213-Y237 HydrophobicContact CZ-CD1 4.24Å; F213-Y237 HydrophobicContact CZ-CE1 4.23Å; C223-Y237 HydrophobicContact CB-CE1 3.82Å; C223-Y237 VanDerWaalsContact SG-CZ 3.58Å; F225-Y237 AromaticContact CE2-CD1 3.99Å; F225-Y237 HydrophobicContact CE2-CD1 3.99Å; F225-Y237 HydrophobicContact CE2-CE1 4.34Å; F225-Y237 HydrophobicContact CE2-CG 4.38Å; F225-Y237 AromaticContact CZ-CD1 3.66Å; F225-Y237 HydrophobicContact CZ-CD1 3.66Å; F225-Y237 HydrophobicContact CZ-CD2 4.37Å; F225-Y237 HydrophobicContact CZ-CE1 4.39Å; F225-Y237 AromaticContact CZ-CG 3.65Å; F225-Y237 HydrophobicContact CZ-CG 3.65Å; D233-Y237 PolarHBondContact O-N 3.48Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 3.35Å; Y237-E239 VanDerWaalsContact C-N 3.27Å; Y237-E239 PolarHBondContact O-N 3.18Å; Y237-Q240 PolarHBondContact O-N 3.21Å; Y237-R241 HydrophobicContact CD2-CB 3.79Å; Y237-R241 HydrophobicContact CD2-CG 4.15Å; Y237-R241 HydrophobicContact CE2-CB 3.8Å; Y237-R241 HydrophobicContact CE2-CG 3.67Å; Y237-R241 WeakPolarHBondContact O-CA 3.35Å; Y237-R241 WeakPolarHBondContact O-CB 3.33Å; Y237-R241 PolarHBondContact O-N 2.98Å; Y237-L242 HydrophobicContact CD1-CD1 4.48Å; Y237-L242 HydrophobicContact CE1-CD1 3.67Å; Y237-L242 HydrophobicContact CE1-CG 4.01Å
238V90.6Very high91.4Very high0 Ų048.5 Ų48.50%023%0.227CC..Hα-helixtrans-63.7-36.6-177.7173.80000111.6F213 F215 V234 C235 A236 L242 H243 Y244 A246 F282F213-V238 HydrophobicContact CD1-CG2 3.82Å; F213-V238 HydrophobicContact CD2-CG2 4.25Å; F213-V238 HydrophobicContact CE1-CG2 3.64Å; F213-V238 HydrophobicContact CE2-CG2 4.1Å; F213-V238 HydrophobicContact CG-CG2 4.12Å; F213-V238 HydrophobicContact CZ-CG2 3.79Å; F215-V238 HydrophobicContact CE1-CG1 3.8Å; F215-V238 HydrophobicContact CZ-CG1 4.15Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 2.71Å; C235-V238 PolarHBondContact O-N 3.47Å; A236-V238 PolarHBondContact O-N 3.25Å; V238-L242 HydrophobicContact CG1-CB 4.45Å; V238-L242 HydrophobicContact CG2-CD1 4.22Å; V238-L242 CarbonylContact O-C 3.32Å; V238-L242 WeakPolarHBondContact O-CA 3.19Å; V238-L242 VanDerWaalsContact O-CB 3.3Å; V238-L242 WeakPolarHBondContact O-CB 3.37Å; V238-L242 PolarHBondContact O-N 3Å; V238-H243 PolarHBondContact O-N 2.83Å; V238-Y244 HydrophobicContact CG1-CD1 4.07Å; V238-Y244 HydrophobicContact CG1-CG 4.39Å; V238-Y244 PolarHBondContact O-N 2.98Å; V238-A246 HydrophobicContact CB-CB 3.83Å; V238-A246 HydrophobicContact CG1-CB 3.78Å; V238-F282 HydrophobicContact CB-CZ 4.12Å; V238-F282 HydrophobicContact CG1-CE2 3.9Å; V238-F282 HydrophobicContact CG1-CZ 3.85Å; V238-F282 HydrophobicContact CG2-CE2 4.28Å; V238-F282 HydrophobicContact CG2-CZ 3.77Å
239E92Very high91.4Very high66 Ų6647.4 Ų47.431%0.30822%0.215SC..Hα-helixtrans-73.7-46179.3-163.2159.2156.900112.9C235 A236 Y237 H243 Y244 R247C235-E239 WeakPolarHBondContact O-CB 3.39Å; C235-E239 PolarHBondContact O-N 3.34Å; A236-E239 PolarHBondContact O-N 3.17Å; Y237-E239 VanDerWaalsContact C-N 3.27Å; Y237-E239 PolarHBondContact O-N 3.18Å; E239-H243 VanDerWaalsContact O-CA 3.3Å; E239-H243 WeakPolarHBondContact O-CA 3.33Å; E239-H243 PolarHBondContact O-N 3.16Å; E239-Y244 WeakPolarHBondContact CA-O 3.22Å; E239-Y244 PolarHBondContact N-O 3.04Å; E239-R247 WeakPolarHBondContact OE2-CB 3.4Å; E239-R247 WeakPolarHBondContact OE2-CD 3.43Å; E239-R247 WeakPolarHBondContact OE2-CG 3.44Å; E239-R247 PolarHBondContact OE2-N 3.5Å
240Q88.2Confident91.3Very high48 Ų4848.5 Ų48.522%0.22422%0.221CC..Hα-helixtrans-83.1-37.8-174.8-65.8172.4-1300112.5E188 A236 Y237E188-Q240 PolarHBondContact OE2-NE2 3.18Å; A236-Q240 VanDerWaalsContact O-CB 3.31Å; A236-Q240 WeakPolarHBondContact O-CB 3.19Å; A236-Q240 WeakPolarHBondContact O-CG 3.44Å; A236-Q240 PolarHBondContact O-N 3.35Å; Y237-Q240 PolarHBondContact O-N 3.21Å
241R86.3Confident91.2Very high133 Ų13344.8 Ų44.850%0.50221%0.208SC..Hα-helixtrans-96.6-35-175.5-174.859.8179.287-3.6114W192 Y237W192-R241 HydrophobicContact CH2-CB 3.97Å; W192-R241 HydrophobicContact CH2-CG 4.23Å; W192-R241 HydrophobicContact CZ2-CB 4.02Å; Y237-R241 HydrophobicContact CD2-CB 3.79Å; Y237-R241 HydrophobicContact CD2-CG 4.15Å; Y237-R241 HydrophobicContact CE2-CB 3.8Å; Y237-R241 HydrophobicContact CE2-CG 3.67Å; Y237-R241 WeakPolarHBondContact O-CA 3.35Å; Y237-R241 WeakPolarHBondContact O-CB 3.33Å; Y237-R241 PolarHBondContact O-N 2.98Å
242L84.7Confident91Very high41 Ų4144.7 Ų44.722%0.21521%0.207CC..SBendtrans-103.90.9-178.9-51.4-177.9000112.8F213 F215 Y237 V238 Y244F213-L242 HydrophobicContact CD2-CD1 4Å; F215-L242 HydrophobicContact CE2-CD1 4.2Å; F215-L242 HydrophobicContact CZ-CB 4.24Å; F215-L242 HydrophobicContact CZ-CD1 3.66Å; Y237-L242 HydrophobicContact CD1-CD1 4.48Å; Y237-L242 HydrophobicContact CE1-CD1 3.67Å; Y237-L242 HydrophobicContact CE1-CG 4.01Å; V238-L242 HydrophobicContact CG1-CB 4.45Å; V238-L242 HydrophobicContact CG2-CD1 4.22Å; V238-L242 CarbonylContact O-C 3.32Å; V238-L242 WeakPolarHBondContact O-CA 3.19Å; V238-L242 VanDerWaalsContact O-CB 3.3Å; V238-L242 WeakPolarHBondContact O-CB 3.37Å; V238-L242 PolarHBondContact O-N 3Å; L242-Y244 PolarHBondContact O-N 3.49Å
243H86.8Confident90.6Very high162 Ų16239.5 Ų39.575%0.7519%0.188SC*.  trans54.437.2176.7-5297.2000113.1V238 E239V238-H243 PolarHBondContact O-N 2.83Å; E239-H243 VanDerWaalsContact O-CA 3.3Å; E239-H243 WeakPolarHBondContact O-CA 3.33Å; E239-H243 PolarHBondContact O-N 3.16Å
244Y87.7Confident89.4Confident30 Ų3040.8 Ų40.812%0.11820%0.204CC..  trans-122.1129.9-179.2-174.2-87.4000111F215 V238 E239 L242 A246 R249 F282F215-Y244 HydrophobicContact CB-CE2 4.32Å; F215-Y244 AromaticContact CD1-CD1 3.82Å; F215-Y244 HydrophobicContact CD1-CD1 3.82Å; F215-Y244 AromaticContact CD1-CD2 3.46Å; F215-Y244 HydrophobicContact CD1-CD2 3.46Å; F215-Y244 VanDerWaalsContact CD1-CD2 3.46Å; F215-Y244 HydrophobicContact CD1-CE1 4.07Å; F215-Y244 AromaticContact CD1-CE2 3.73Å; F215-Y244 HydrophobicContact CD1-CE2 3.73Å; F215-Y244 AromaticContact CD1-CG 3.5Å; F215-Y244 HydrophobicContact CD1-CG 3.5Å; F215-Y244 VanDerWaalsContact CD1-CG 3.5Å; F215-Y244 AromaticContact CD1-CZ 4Å; F215-Y244 AromaticContact CE1-CD1 3.81Å; F215-Y244 HydrophobicContact CE1-CD1 3.81Å; F215-Y244 HydrophobicContact CE1-CD2 4.03Å; F215-Y244 HydrophobicContact CE1-CE1 4.41Å; F215-Y244 AromaticContact CE1-CG 3.58Å; F215-Y244 HydrophobicContact CE1-CG 3.58Å; F215-Y244 HydrophobicContact CG-CD2 4.27Å; F215-Y244 HydrophobicContact CG-CE2 4.45Å; V238-Y244 HydrophobicContact CG1-CD1 4.07Å; V238-Y244 HydrophobicContact CG1-CG 4.39Å; V238-Y244 PolarHBondContact O-N 2.98Å; E239-Y244 WeakPolarHBondContact CA-O 3.22Å; E239-Y244 PolarHBondContact N-O 3.04Å; L242-Y244 PolarHBondContact O-N 3.49Å; Y244-A246 PolarHBondContact O-N 3.41Å; Y244-R249 PolarHBondContact OH-NH1 2.86Å; Y244-F282 HydrophobicContact CD1-CB 4.48Å; Y244-F282 HydrophobicContact CD1-CD2 4.1Å; Y244-F282 HydrophobicContact CD1-CG 4.25Å; Y244-F282 HydrophobicContact CE1-CB 3.5Å; Y244-F282 VanDerWaalsContact CE1-CB 3.5Å; Y244-F282 AromaticContact CE1-CD2 3.78Å; Y244-F282 HydrophobicContact CE1-CD2 3.78Å; Y244-F282 AromaticContact CE1-CG 3.7Å; Y244-F282 HydrophobicContact CE1-CG 3.7Å
245P90.5Very high87.4Confident57 Ų5746.4 Ų46.437%0.3723%0.23SC..  trans-75.169.6-167.632-38000112.9S248P245-S248 PolarHBondContact O-OG 3.12Å
246A89.5Confident86Confident0 Ų049.2 Ų49.20%025%0.247CC..  trans-71.8-37.3-174.100000112.7C235 V238 Y244 S248 R249 F282C235-A246 HydrophobicContact CB-CB 4.11Å; V238-A246 HydrophobicContact CB-CB 3.83Å; V238-A246 HydrophobicContact CG1-CB 3.78Å; Y244-A246 PolarHBondContact O-N 3.41Å; A246-S248 PolarHBondContact O-N 3.33Å; A246-S248 VanDerWaalsContact O-N 3.16Å; A246-R249 PolarHBondContact O-N 3.11Å; A246-F282 HydrophobicContact CB-CD1 3.88Å; A246-F282 HydrophobicContact CB-CE1 3.52Å; A246-F282 HydrophobicContact CB-CZ 4.11Å
247R88.7Confident85.4Confident96 Ų9657.1 Ų57.136%0.36228%0.277SS..THydrogen-bonded Turntrans-63.4-24.2-180-65.9171.9177.9166.41.2112.8E188 C235 A236 E239 R249 R285E188-R247 IonicContact OE2-NH1 3.36Å; E188-R247 PolarHBondContact OE2-NH1 3.32Å; C235-R247 HydrophobicContact CB-CG 4.05Å; A236-R247 VanDerWaalsContact CB-NH2 3.3Å; E239-R247 WeakPolarHBondContact OE2-CB 3.4Å; E239-R247 WeakPolarHBondContact OE2-CD 3.43Å; E239-R247 WeakPolarHBondContact OE2-CG 3.44Å; E239-R247 PolarHBondContact OE2-N 3.5Å; R247-R249 VanDerWaalsContact C-N 3.31Å; R247-R285 PolarHBondContact O-NH2 2.83Å
248S89.3Confident85.1Confident69 Ų6960 Ų6048%0.48329%0.287SS..THydrogen-bonded Turntrans-83.5-1.7176.573.80000114.5P245 A246P245-S248 PolarHBondContact O-OG 3.12Å; A246-S248 PolarHBondContact O-N 3.33Å; A246-S248 VanDerWaalsContact O-N 3.16Å
249R92.2Very high85.1Confident46 Ų4662.6 Ų62.617%0.17430%0.303CS..EExtended strand (participates in β ladder)trans-123171.7-171-69.4-180-176.7-124.811111.3Y244 A246 R247 F282 E283Y244-R249 PolarHBondContact OH-NH1 2.86Å; A246-R249 PolarHBondContact O-N 3.11Å; R247-R249 VanDerWaalsContact C-N 3.31Å; R249-F282 HydrophobicContact CB-CB 4.15Å; R249-F282 PolarHBondContact NH1-O 3.44Å; R249-E283 CarbonylContact C-O 3.59Å; R249-E283 VanDerWaalsContact CA-O 3.32Å; R249-E283 WeakPolarHBondContact CA-O 3.48Å; R249-E283 WeakPolarHBondContact CB-O 3.36Å
250N92.9Very high85.1Confident22 Ų2259.9 Ų59.912%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-95.2139.1168.8-65.3-22000109V259 F260 F282 E283N250-V259 HydrophobicContact CB-CG1 3.62Å; N250-F260 WeakPolarHBondContact CA-O 3.21Å; N250-F282 WeakPolarHBondContact O-CA 3.38Å; N250-E283 PolarHBondContact N-O 2.9Å; N250-E283 PolarHBondContact O-N 3.26Å
251L93.2Very high85.3Confident9 Ų959.7 Ų59.75%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-84.8114.1175.2-168.5153.2000108.1V231 V234 L253 F260 V280 F282V231-L251 HydrophobicContact CG1-CD1 4.4Å; V234-L251 HydrophobicContact CG1-CD1 3.95Å; L251-L253 HydrophobicContact CD2-CD2 3.96Å; L251-F260 HydrophobicContact CB-CB 4.37Å; L251-F260 HydrophobicContact CD2-CD2 3.72Å; L251-F260 HydrophobicContact CD2-CE2 4.31Å; L251-F260 PolarHBondContact N-O 3.37Å; L251-F260 PolarHBondContact O-N 2.95Å; L251-V280 HydrophobicContact CD1-CG1 3.98Å; L251-V280 HydrophobicContact CD2-CG1 3.61Å; L251-V280 HydrophobicContact CD2-CG2 4.34Å; L251-V280 HydrophobicContact CG-CG1 3.47Å; L251-V280 VanDerWaalsContact CG-CG1 3.47Å; L251-F282 HydrophobicContact CD1-CE1 4.42Å; L251-F282 HydrophobicContact CG-CE1 4.44Å
252A91Very high85.3Confident2 Ų258.6 Ų58.62%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-112.6131.1-175.500000110.8R258 V259 V280 D281 E283A252-R258 CarbonylContact C-O 3.48Å; A252-R258 WeakPolarHBondContact CA-O 3.42Å; A252-V259 HydrophobicContact CB-CG2 4.11Å; A252-V280 CarbonylContact O-C 3.55Å; A252-V280 WeakPolarHBondContact O-CA 3.11Å; A252-D281 HydrophobicContact CB-CB 4.36Å; A252-D281 PolarHBondContact N-O 3.22Å; A252-D281 PolarHBondContact O-N 3.19Å; A252-E283 HydrophobicContact CB-CG 3.86Å; A252-E283 WeakPolarHBondContact CB-OE1 3.4Å
253L86Confident85.6Confident5 Ų564.9 Ų64.93%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-93.5149.7171-54.4-175.8000110.8L251 R257 R258 F260 L274 E278 I279 V280L251-L253 HydrophobicContact CD2-CD2 3.96Å; L253-R257 WeakPolarHBondContact O-CA 3.09Å; L253-R258 HydrophobicContact CB-CB 4.33Å; L253-R258 HydrophobicContact CD1-CB 4.27Å; L253-R258 HydrophobicContact CG-CB 4.45Å; L253-R258 PolarHBondContact N-O 3.31Å; L253-R258 PolarHBondContact O-N 3.45Å; L253-F260 HydrophobicContact CD1-CE2 3.62Å; L253-F260 HydrophobicContact CD1-CZ 4.03Å; L253-F260 HydrophobicContact CD2-CE2 4.33Å; L253-F260 HydrophobicContact CG-CD2 4.49Å; L253-F260 HydrophobicContact CG-CE2 3.69Å; L253-L274 HydrophobicContact CD1-CD2 3.45Å; L253-L274 VanDerWaalsContact CD1-CD2 3.45Å; L253-E278 HydrophobicContact CD1-CG 4.47Å; L253-E278 HydrophobicContact CD2-CB 4.17Å; L253-I279 WeakPolarHBondContact CA-O 3.38Å; L253-V280 HydrophobicContact CD2-CG2 3.87Å
254G70.4Confident85.9Confident36 Ų3660 Ų6037%0.37130%0.299SS..THydrogen-bonded Turntrans-62.8-85.9178.700000114P256 R257 I279G254-P256 CarbonylContact O-C 3.58Å; G254-R257 WeakPolarHBondContact O-CA 3.39Å; G254-R257 WeakPolarHBondContact O-CB 3.31Å; G254-R257 PolarHBondContact O-N 3.03Å; G254-I279 PolarHBondContact N-O 3.45Å
255H52.5Low86.1Confident118 Ų11859 Ų5955%0.54630%0.297SS..THydrogen-bonded Turntrans-139.1119.4-173.6-166.580.5000113.6K4K4-H255 PolarHBondContact NZ-O 3.22Å; K4-H255 VanDerWaalsContact NZ-O 3.14Å
256P66.1Low86.3Confident71 Ų7161 Ų6146%0.46130%0.304SS..THydrogen-bonded Turncis-65.1141.12.628-34.7000111.4G254 R258G254-P256 CarbonylContact O-C 3.58Å; P256-R258 PolarHBondContact O-N 3.14Å
257R81.7Confident86.5Confident171 Ų17162.7 Ų62.765%0.64532%0.316SS*.THydrogen-bonded Turntrans-68.8121-177.6-172.5175.2-178.2179.1-2108.6L253 G254 E283L253-R257 WeakPolarHBondContact O-CA 3.09Å; G254-R257 WeakPolarHBondContact O-CA 3.39Å; G254-R257 WeakPolarHBondContact O-CB 3.31Å; G254-R257 PolarHBondContact O-N 3.03Å; R257-E283 IonicContact CZ-OE1 2.74Å; R257-E283 IonicContact NE-OE1 3.08Å; R257-E283 IonicContact NH2-OE1 3.88Å; R257-E283 PolarHBondContact NH2-OE1 3.44Å; R257-E283 IonicContact NH2-OE2 3.73Å; R257-E283 PolarHBondContact NH2-OE2 3.18Å
258R86.9Confident86.8Confident77 Ų7759.3 Ų59.329%0.29131%0.306SS..EExtended strand (participates in β ladder)trans-136.5135.4-179.7-65.7172.365.3-166.11108A252 L253 P256 F260 L272 H273A252-R258 CarbonylContact C-O 3.48Å; A252-R258 WeakPolarHBondContact CA-O 3.42Å; L253-R258 HydrophobicContact CB-CB 4.33Å; L253-R258 HydrophobicContact CD1-CB 4.27Å; L253-R258 HydrophobicContact CG-CB 4.45Å; L253-R258 PolarHBondContact N-O 3.31Å; L253-R258 PolarHBondContact O-N 3.45Å; P256-R258 PolarHBondContact O-N 3.14Å; R258-F260 HydrophobicContact CB-CE2 4.4Å; R258-F260 HydrophobicContact CB-CZ 4.1Å; R258-L272 PolarHBondContact NH1-O 2.79Å; R258-L272 PolarHBondContact NH2-O 3.03Å; R258-H273 PolarHBondContact NH1-O 3.47Å
259V90Very high87Confident55 Ų5556.4 Ų56.433%0.33329%0.285SS..EExtended strand (participates in β ladder)trans-124.2120.6-176.7-177.90000108.4N250 A252N250-V259 HydrophobicContact CB-CG1 3.62Å; A252-V259 HydrophobicContact CB-CG2 4.11Å
260F92.4Very high86.8Confident10 Ų1059.7 Ų59.74%0.04430%0.302CS..EExtended strand (participates in β ladder)trans-102.2117.5178.5-52.2-70000109.4N250 L251 L253 R258 H264 L272 L274N250-F260 WeakPolarHBondContact CA-O 3.21Å; L251-F260 HydrophobicContact CB-CB 4.37Å; L251-F260 HydrophobicContact CD2-CD2 3.72Å; L251-F260 HydrophobicContact CD2-CE2 4.31Å; L251-F260 PolarHBondContact N-O 3.37Å; L251-F260 PolarHBondContact O-N 2.95Å; L253-F260 HydrophobicContact CD1-CE2 3.62Å; L253-F260 HydrophobicContact CD1-CZ 4.03Å; L253-F260 HydrophobicContact CD2-CE2 4.33Å; L253-F260 HydrophobicContact CG-CD2 4.49Å; L253-F260 HydrophobicContact CG-CE2 3.69Å; R258-F260 HydrophobicContact CB-CE2 4.4Å; R258-F260 HydrophobicContact CB-CZ 4.1Å; F260-H264 HydrophobicContact CB-CB 3.98Å; F260-H264 HydrophobicContact CD1-CB 4.32Å; F260-L272 HydrophobicContact CD1-CD1 4.18Å; F260-L272 HydrophobicContact CD1-CD2 3.86Å; F260-L272 HydrophobicContact CD2-CD1 4.1Å; F260-L272 HydrophobicContact CE1-CB 4.41Å; F260-L272 HydrophobicContact CE1-CD1 3.96Å; F260-L272 HydrophobicContact CE1-CD2 3.55Å; F260-L272 HydrophobicContact CE1-CG 4.16Å; F260-L272 HydrophobicContact CE2-CD1 3.81Å; F260-L272 HydrophobicContact CG-CD1 4.24Å; F260-L272 HydrophobicContact CZ-CB 4.12Å; F260-L272 HydrophobicContact CZ-CD1 3.75Å; F260-L272 HydrophobicContact CZ-CD2 4.09Å; F260-L272 HydrophobicContact CZ-CG 4.2Å; F260-L274 HydrophobicContact CZ-CD2 4.46Å
261T91.5Very high86.7Confident44 Ų4463.9 Ų63.927%0.2732%0.321SS..  trans-89.7-178.1177.861.30000111E263 H264T261-E263 PolarHBondContact O-N 3.25Å; T261-E263 VanDerWaalsContact O-N 3.12Å; T261-E263 PolarHBondContact OG1-N 3Å; T261-H264 PolarHBondContact N-ND1 3.09Å; T261-H264 PolarHBondContact O-N 3.12Å; T261-H264 PolarHBondContact OG1-ND1 2.98Å
262Q88.1Confident86.5Confident109 Ų10963.9 Ų63.951%0.50932%0.321SS..G310 helixtrans-54.6-28173.5-170.364.341.400113.5H264 A265Q262-H264 PolarHBondContact O-N 2.96Å; Q262-A265 WeakPolarHBondContact O-CB 3.18Å; Q262-A265 PolarHBondContact O-N 2.9Å; Q262-A265 VanDerWaalsContact O-N 3.09Å
263E90.2Very high86.1Confident173 Ų17370.7 Ų70.781%0.80835%0.352SS*.G310 helixtrans-64.8-23.6178.6-63.9172.4178.400112.3T261T261-E263 PolarHBondContact O-N 3.25Å; T261-E263 VanDerWaalsContact O-N 3.12Å; T261-E263 PolarHBondContact OG1-N 3Å
264H93.4Very high86Confident60 Ų6071.4 Ų71.428%0.27836%0.356SS..G310 helixtrans-94.74.8178.3-55.486.4000112.4V231 F260 T261 Q262 D266 C267V231-H264 WeakPolarHBondContact CB-O 3.26Å; V231-H264 VanDerWaalsContact CG2-O 3.31Å; V231-H264 WeakPolarHBondContact CG2-O 3.21Å; F260-H264 HydrophobicContact CB-CB 3.98Å; F260-H264 HydrophobicContact CD1-CB 4.32Å; T261-H264 PolarHBondContact N-ND1 3.09Å; T261-H264 PolarHBondContact O-N 3.12Å; T261-H264 PolarHBondContact OG1-ND1 2.98Å; Q262-H264 PolarHBondContact O-N 2.96Å; H264-D266 PolarHBondContact O-N 2.98Å; H264-D266 VanDerWaalsContact O-N 3.15Å; H264-C267 WeakPolarHBondContact O-CB 3.37Å; H264-C267 PolarHBondContact O-N 3.09Å
265A91.8Very high86.5Confident9 Ų971.4 Ų71.47%0.07435%0.347CS..THydrogen-bonded Turntrans-57.1-33.9-173.800000112.8R232 Q262R232-A265 HydrophobicContact CB-CB 4.22Å; R232-A265 VanDerWaalsContact CB-O 3.3Å; R232-A265 WeakPolarHBondContact CB-O 3.39Å; R232-A265 WeakPolarHBondContact CG-O 3.48Å; R232-A265 PolarHBondContact N-O 2.64Å; Q262-A265 WeakPolarHBondContact O-CB 3.18Å; Q262-A265 PolarHBondContact O-N 2.9Å; Q262-A265 VanDerWaalsContact O-N 3.09Å
266D93.6Very high87.8Confident98 Ų9867.7 Ų67.752%0.52433%0.334SS..THydrogen-bonded Turntrans-92.1-7.9-178.4-65.2-43000114R230 R232 H264R230-D266 WeakPolarHBondContact CD-O 3.39Å; R230-D266 WeakPolarHBondContact CG-O 3.33Å; R232-D266 WeakPolarHBondContact CD-OD1 3.16Å; R232-D266 IonicContact CZ-OD1 3.68Å; R232-D266 IonicContact NE-OD1 2.78Å; R232-D266 IonicContact NH1-OD1 3.5Å; R232-D266 PolarHBondContact NH1-OD1 3.19Å; H264-D266 PolarHBondContact O-N 2.98Å; H264-D266 VanDerWaalsContact O-N 3.15Å
267C94.6Very high88.3Confident37 Ų3765.2 Ų65.225%0.2532%0.317CS..  trans-68138.4173.9-62.20000110.6R230 V231 H264 E271 L272R230-C267 CarbonylContact C-O 3.56Å; R230-C267 WeakPolarHBondContact CA-O 3.44Å; V231-C267 PolarHBondContact N-O 2.81Å; H264-C267 WeakPolarHBondContact O-CB 3.37Å; H264-C267 PolarHBondContact O-N 3.09Å; C267-E271 WeakPolarHBondContact CA-OE2 3.1Å; C267-L272 HydrophobicContact CB-CD2 3.93Å
268T95.3Very high88.4Confident25 Ų2557.7 Ų57.715%0.15329%0.289CS..BIsolated β-bridgetrans-77.4153.5172.863.10000111.3A229 R230 H270 E271 L272A229-T268 CarbonylContact O-C 3.46Å; A229-T268 WeakPolarHBondContact O-CA 3.3Å; R230-T268 HydrophobicContact CG-CG2 4.18Å; T268-H270 PolarHBondContact O-N 3.08Å; T268-E271 PolarHBondContact N-OE2 3.43Å; T268-E271 PolarHBondContact O-N 3.06Å; T268-E271 VanDerWaalsContact O-N 3.08Å; T268-E271 VanDerWaalsContact OG1-CD 3.23Å; T268-E271 WeakPolarHBondContact OG1-CG 3.31Å; T268-E271 PolarHBondContact OG1-N 2.74Å; T268-E271 PolarHBondContact OG1-OE2 3.34Å; T268-L272 WeakPolarHBondContact O-CG 3.38Å; T268-L272 PolarHBondContact O-N 2.88Å
269L92.1Very high88.1Confident7 Ų755 Ų554%0.03728%0.28CS..THydrogen-bonded Turntrans-61.5-27.5175.7-60.3-179.5000112.1V209 L211 F225 T227 A229 V234 L272 L274V209-L269 HydrophobicContact CG1-CB 4.19Å; V209-L269 HydrophobicContact CG1-CD1 3.52Å; V209-L269 HydrophobicContact CG1-CG 4.42Å; L211-L269 HydrophobicContact CD1-CD1 4.32Å; F225-L269 HydrophobicContact CB-CD1 3.55Å; F225-L269 HydrophobicContact CG-CD1 4.22Å; T227-L269 PolarHBondContact O-N 3.15Å; A229-L269 HydrophobicContact CB-CD1 4.01Å; A229-L269 HydrophobicContact CB-CG 4.35Å; A229-L269 WeakPolarHBondContact O-CG 3.35Å; A229-L269 PolarHBondContact O-N 2.83Å; V234-L269 HydrophobicContact CG2-CD1 4Å; V234-L269 HydrophobicContact CG2-CD2 4.07Å; V234-L269 HydrophobicContact CG2-CG 4.43Å; L269-L272 HydrophobicContact CD2-CD1 4.2Å; L269-L272 PolarHBondContact O-N 2.76Å; L269-L274 HydrophobicContact CB-CD1 4.3Å; L269-L274 HydrophobicContact CD2-CD1 4.01Å
270H89.6Confident88.1Confident116 Ų11652.4 Ų52.454%0.53726%0.264SS..THydrogen-bonded Turntrans-61.6-49.6170.5-179.9-90.4000112.1T227 T268 L272 H273T227-H270 WeakPolarHBondContact O-CB 3.4Å; T227-H270 PolarHBondContact O-N 3.28Å; T268-H270 PolarHBondContact O-N 3.08Å; H270-L272 PolarHBondContact O-N 3.02Å; H270-H273 PolarHBondContact O-N 2.87Å
271E90.6Very high87.9Confident110 Ų11054.1 Ų54.151%0.51427%0.274SS..THydrogen-bonded Turntrans-64.5-21.7177.9-71161.9157.900112.6C267 T268 H273C267-E271 WeakPolarHBondContact CA-OE2 3.1Å; T268-E271 PolarHBondContact N-OE2 3.43Å; T268-E271 PolarHBondContact O-N 3.06Å; T268-E271 VanDerWaalsContact O-N 3.08Å; T268-E271 VanDerWaalsContact OG1-CD 3.23Å; T268-E271 WeakPolarHBondContact OG1-CG 3.31Å; T268-E271 PolarHBondContact OG1-N 2.74Å; T268-E271 PolarHBondContact OG1-OE2 3.34Å; E271-H273 VanDerWaalsContact C-N 3.27Å; E271-H273 PolarHBondContact O-CD2 3.32Å; E271-H273 PolarHBondContact O-N 3.33Å
272L89Confident87.9Confident8 Ų852.6 Ų52.64%0.04226%0.264CS..THydrogen-bonded Turntrans-78.1-7.6174.1-57.2-170.6000112.9V231 R258 F260 C267 T268 L269 H270 L274V231-L272 HydrophobicContact CG2-CD1 3.64Å; V231-L272 HydrophobicContact CG2-CG 4.5Å; R258-L272 PolarHBondContact NH1-O 2.79Å; R258-L272 PolarHBondContact NH2-O 3.03Å; F260-L272 HydrophobicContact CD1-CD1 4.18Å; F260-L272 HydrophobicContact CD1-CD2 3.86Å; F260-L272 HydrophobicContact CD2-CD1 4.1Å; F260-L272 HydrophobicContact CE1-CB 4.41Å; F260-L272 HydrophobicContact CE1-CD1 3.96Å; F260-L272 HydrophobicContact CE1-CD2 3.55Å; F260-L272 HydrophobicContact CE1-CG 4.16Å; F260-L272 HydrophobicContact CE2-CD1 3.81Å; F260-L272 HydrophobicContact CG-CD1 4.24Å; F260-L272 HydrophobicContact CZ-CB 4.12Å; F260-L272 HydrophobicContact CZ-CD1 3.75Å; F260-L272 HydrophobicContact CZ-CD2 4.09Å; F260-L272 HydrophobicContact CZ-CG 4.2Å; C267-L272 HydrophobicContact CB-CD2 3.93Å; T268-L272 WeakPolarHBondContact O-CG 3.38Å; T268-L272 PolarHBondContact O-N 2.88Å; L269-L272 HydrophobicContact CD2-CD1 4.2Å; L269-L272 PolarHBondContact O-N 2.76Å; H270-L272 PolarHBondContact O-N 3.02Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 HydrophobicContact CB-CD2 3.7Å; L272-L274 HydrophobicContact CB-CG 3.88Å; L272-L274 HydrophobicContact CD1-CD2 4.47Å; L272-L274 PolarHBondContact O-N 3.48Å
273H83.1Confident88Confident145 Ų14550.4 Ų50.467%0.67125%0.253SS*.THydrogen-bonded Turntrans49.451.1179.6-54.5-63.1000112.5R258 H270 E271R258-H273 PolarHBondContact NH1-O 3.47Å; H270-H273 PolarHBondContact O-N 2.87Å; E271-H273 VanDerWaalsContact C-N 3.27Å; E271-H273 PolarHBondContact O-CD2 3.32Å; E271-H273 PolarHBondContact O-N 3.33Å
274L83.9Confident87.8Confident21 Ų2151.7 Ų51.711%0.1125%0.251CS..  trans-74.4153178-57-170.9000110.6V209 L211 L253 F260 L269 L272 E278V209-L274 HydrophobicContact CG1-CD1 4.36Å; V209-L274 HydrophobicContact CG2-CB 4.13Å; V209-L274 HydrophobicContact CG2-CD1 4.22Å; L211-L274 HydrophobicContact CD2-CD1 4.15Å; L253-L274 HydrophobicContact CD1-CD2 3.45Å; L253-L274 VanDerWaalsContact CD1-CD2 3.45Å; F260-L274 HydrophobicContact CZ-CD2 4.46Å; L269-L274 HydrophobicContact CB-CD1 4.3Å; L269-L274 HydrophobicContact CD2-CD1 4.01Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 HydrophobicContact CB-CD2 3.7Å; L272-L274 HydrophobicContact CB-CG 3.88Å; L272-L274 HydrophobicContact CD1-CD2 4.47Å; L272-L274 PolarHBondContact O-N 3.48Å; L274-E278 HydrophobicContact CB-CG 3.86Å; L274-E278 HydrophobicContact CD1-CG 4.37Å; L274-E278 HydrophobicContact CD2-CG 4.28Å; L274-E278 HydrophobicContact CG-CG 4.39Å
275N79.4Confident87.3Confident36 Ų3653.9 Ų53.919%0.19326%0.257CS..  trans-65165.5163.6-63.8-74.8000109.9V209 Q277 E278V209-N275 WeakPolarHBondContact CG2-O 3.18Å; N275-Q277 PolarHBondContact O-N 2.88Å; N275-E278 VanDerWaalsContact CB-OE1 3.31Å; N275-E278 WeakPolarHBondContact CB-OE1 3.21Å; N275-E278 PolarHBondContact N-OE1 2.98Å; N275-E278 PolarHBondContact ND2-OE1 3.01Å
276S79.5Confident86.2Confident39 Ų3956.8 Ų56.827%0.27329%0.287SS..SBendtrans-51.8-25.4173.159.10000113.9R76 S107 T210R76-S276 PolarHBondContact NH1-OG 3.29Å; R76-S276 VanDerWaalsContact NH1-OG 3.12Å; S107-S276 WeakPolarHBondContact O-CB 3.28Å; S107-S276 PolarHBondContact O-OG 3.33Å; S107-S276 VanDerWaalsContact O-OG 3.09Å; T210-S276 PolarHBondContact N-O 2.94Å
277Q78.4Confident84.2Confident20 Ų2056.6 Ų56.69%0.09330%0.299CS..EExtended strand (participates in β ladder)trans-144.2134.4176.1-171.817218.100110.6D74 T77 T210 I212 N275D74-Q277 PolarHBondContact OD2-OE1 3.46Å; D74-Q277 VanDerWaalsContact OD2-OE1 3.05Å; T77-Q277 HydrophobicContact CG2-CG 4.27Å; T210-Q277 HydrophobicContact CG2-CG 4.05Å; T210-Q277 CarbonylContact O-C 3.52Å; T210-Q277 VanDerWaalsContact O-CA 3.22Å; T210-Q277 WeakPolarHBondContact O-CA 3.44Å; I212-Q277 HydrophobicContact CD1-CG 4.08Å; I212-Q277 HydrophobicContact CG1-CG 4.24Å; N275-Q277 PolarHBondContact O-N 2.88Å
278E82.6Confident81.9Confident12 Ų1264.8 Ų64.86%0.05633%0.331CS..EExtended strand (participates in β ladder)trans-132.3143.1-178.1-70.6-65.917300111.3T210 L211 I212 L253 L274 N275T210-E278 PolarHBondContact O-N 2.84Å; L211-E278 HydrophobicContact CD2-CB 4.06Å; I212-E278 PolarHBondContact N-O 3.32Å; L253-E278 HydrophobicContact CD1-CG 4.47Å; L253-E278 HydrophobicContact CD2-CB 4.17Å; L274-E278 HydrophobicContact CB-CG 3.86Å; L274-E278 HydrophobicContact CD1-CG 4.37Å; L274-E278 HydrophobicContact CD2-CG 4.28Å; L274-E278 HydrophobicContact CG-CG 4.39Å; N275-E278 VanDerWaalsContact CB-OE1 3.31Å; N275-E278 WeakPolarHBondContact CB-OE1 3.21Å; N275-E278 PolarHBondContact N-OE1 2.98Å; N275-E278 PolarHBondContact ND2-OE1 3.01Å
279I81.2Confident79.2Confident20 Ų2071.2 Ų71.210%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-87.7130.8164.4-67.6172.7000108.4T77 I212 R214 L253 G254T77-I279 HydrophobicContact CG2-CD1 4.08Å; T77-I279 HydrophobicContact CG2-CG1 3.81Å; T77-I279 WeakPolarHBondContact O-CD1 3.32Å; I212-I279 HydrophobicContact CB-CG1 4.31Å; I212-I279 HydrophobicContact CD1-CG1 4.17Å; I212-I279 WeakPolarHBondContact O-CA 3.38Å; R214-I279 HydrophobicContact CB-CG2 4.49Å; L253-I279 WeakPolarHBondContact CA-O 3.38Å; G254-I279 PolarHBondContact N-O 3.45Å
280V89.4Confident76.8Confident1 Ų175 Ų751%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-118.4120.8-179.2-178.30000110.1L211 I212 F213 R214 L251 A252 L253 F282L211-V280 HydrophobicContact CB-CG2 4.16Å; L211-V280 HydrophobicContact CD2-CG2 3.93Å; L211-V280 HydrophobicContact CG-CG2 4.44Å; I212-V280 PolarHBondContact O-N 2.85Å; F213-V280 CarbonylContact C-O 3.58Å; F213-V280 WeakPolarHBondContact CA-O 3.5Å; F213-V280 HydrophobicContact CD1-CB 3.83Å; F213-V280 HydrophobicContact CD1-CG1 3.88Å; F213-V280 HydrophobicContact CD1-CG2 4.49Å; F213-V280 HydrophobicContact CE1-CB 4.17Å; F213-V280 HydrophobicContact CE1-CG1 4.09Å; F213-V280 HydrophobicContact CE1-CG2 4.4Å; R214-V280 PolarHBondContact N-O 3.23Å; L251-V280 HydrophobicContact CD1-CG1 3.98Å; L251-V280 HydrophobicContact CD2-CG1 3.61Å; L251-V280 HydrophobicContact CD2-CG2 4.34Å; L251-V280 HydrophobicContact CG-CG1 3.47Å; L251-V280 VanDerWaalsContact CG-CG1 3.47Å; A252-V280 CarbonylContact O-C 3.55Å; A252-V280 WeakPolarHBondContact O-CA 3.11Å; L253-V280 HydrophobicContact CD2-CG2 3.87Å; V280-F282 HydrophobicContact CG1-CE2 4.26Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å
281D89.5Confident74.4Confident47 Ų4774.8 Ų74.825%0.25141%0.406SS..EExtended strand (participates in β ladder)trans-106.4161.9169.7-71.4-52.3000110.3R214 A252R214-D281 VanDerWaalsContact CB-OD1 3.27Å; R214-D281 WeakPolarHBondContact CB-OD1 3.33Å; R214-D281 WeakPolarHBondContact CD-OD1 3.49Å; R214-D281 WeakPolarHBondContact CG-OD1 3.49Å; A252-D281 HydrophobicContact CB-CB 4.36Å; A252-D281 PolarHBondContact N-O 3.22Å; A252-D281 PolarHBondContact O-N 3.19Å
282F91.4Very high72Confident12 Ų1276 Ų765%0.05342%0.421CS..EExtended strand (participates in β ladder)trans-123.1101.3178.8-67.2-82000112.3F213 F215 V238 Y244 A246 R249 N250 L251 V280F213-F282 HydrophobicContact CB-CE2 4.36Å; F213-F282 AromaticContact CD1-CE2 3.67Å; F213-F282 HydrophobicContact CD1-CE2 3.67Å; F213-F282 AromaticContact CD1-CZ 3.74Å; F213-F282 HydrophobicContact CD1-CZ 3.74Å; F213-F282 HydrophobicContact CE1-CE2 4.47Å; F213-F282 HydrophobicContact CE1-CZ 4.09Å; F213-F282 HydrophobicContact CG-CE2 4.36Å; F215-F282 HydrophobicContact CD1-CD2 4.36Å; F215-F282 HydrophobicContact CE1-CD2 4.15Å; F215-F282 AromaticContact CE1-CE2 4Å; F215-F282 HydrophobicContact CE1-CE2 4Å; V238-F282 HydrophobicContact CB-CZ 4.12Å; V238-F282 HydrophobicContact CG1-CE2 3.9Å; V238-F282 HydrophobicContact CG1-CZ 3.85Å; V238-F282 HydrophobicContact CG2-CE2 4.28Å; V238-F282 HydrophobicContact CG2-CZ 3.77Å; Y244-F282 HydrophobicContact CD1-CB 4.48Å; Y244-F282 HydrophobicContact CD1-CD2 4.1Å; Y244-F282 HydrophobicContact CD1-CG 4.25Å; Y244-F282 HydrophobicContact CE1-CB 3.5Å; Y244-F282 VanDerWaalsContact CE1-CB 3.5Å; Y244-F282 AromaticContact CE1-CD2 3.78Å; Y244-F282 HydrophobicContact CE1-CD2 3.78Å; Y244-F282 AromaticContact CE1-CG 3.7Å; Y244-F282 HydrophobicContact CE1-CG 3.7Å; A246-F282 HydrophobicContact CB-CD1 3.88Å; A246-F282 HydrophobicContact CB-CE1 3.52Å; A246-F282 HydrophobicContact CB-CZ 4.11Å; R249-F282 HydrophobicContact CB-CB 4.15Å; R249-F282 PolarHBondContact NH1-O 3.44Å; N250-F282 WeakPolarHBondContact O-CA 3.38Å; L251-F282 HydrophobicContact CD1-CE1 4.42Å; L251-F282 HydrophobicContact CG-CE1 4.44Å; V280-F282 HydrophobicContact CG1-CE2 4.26Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å
283E88.9Confident69.7Low62 Ų6283.6 Ų83.629%0.2946%0.457SS..EExtended strand (participates in β ladder)trans-89.2142.5-176-62.5-176.3-172.200111.8R249 N250 A252 R257R249-E283 CarbonylContact C-O 3.59Å; R249-E283 VanDerWaalsContact CA-O 3.32Å; R249-E283 WeakPolarHBondContact CA-O 3.48Å; R249-E283 WeakPolarHBondContact CB-O 3.36Å; N250-E283 PolarHBondContact N-O 2.9Å; N250-E283 PolarHBondContact O-N 3.26Å; A252-E283 HydrophobicContact CB-CG 3.86Å; A252-E283 WeakPolarHBondContact CB-OE1 3.4Å; R257-E283 IonicContact CZ-OE1 2.74Å; R257-E283 IonicContact NE-OE1 3.08Å; R257-E283 IonicContact NH2-OE1 3.88Å; R257-E283 PolarHBondContact NH2-OE1 3.44Å; R257-E283 IonicContact NH2-OE2 3.73Å; R257-E283 PolarHBondContact NH2-OE2 3.18Å
284R87.3Confident67.9Low201 Ų20182.3 Ų82.376%0.75846%0.461SS*.EExtended strand (participates in β ladder)trans-66.2140.4173.6-73.5-174.4179.2178.6-0.3109.8G286R284-G286 PolarHBondContact O-N 3.41Å
285R81.9Confident66.2Low106 Ų10689 Ų8940%0.450%0.495SS..PPolyproline II helixtrans-62.9126.6171.4-65.4177.3-177.1-171.70.2108.6R247 A287R247-R285 PolarHBondContact O-NH2 2.83Å; R285-A287 PolarHBondContact O-N 2.74Å
286G69Low64.8Low70 Ų7095 Ų9572%0.72253%0.528SS*.PPolyproline II helixtrans-57.3138175.100000110.3R284 K288R284-G286 PolarHBondContact O-N 3.41Å; G286-K288 PolarHBondContact O-N 3.05Å; G286-K288 VanDerWaalsContact O-N 3.16Å
287A51.1Low63.5Low94 Ų94106.2 Ų106.278%0.77757%0.571SS**PPolyproline II helixtrans-62.1117.4171.400000108.1R285 I289R285-A287 PolarHBondContact O-N 2.74Å; A287-I289 PolarHBondContact O-N 2.98Å
288K46.1Very low62.8Low208 Ų208110.5 Ų110.590%0.90460%0.595SS**  trans-59111.6164.4-86.2-176.6175.3179.60106.1G286 A290G286-K288 PolarHBondContact O-N 3.05Å; G286-K288 VanDerWaalsContact O-N 3.16Å; K288-A290 PolarHBondContact O-N 2.67Å
289I39.5Very low61.8Low161 Ų161115.7 Ų115.783%0.82662%0.623SS**  trans-57.4111.8172.1-61170.8000105.5A287 S291A287-I289 PolarHBondContact O-N 2.98Å; I289-S291 PolarHBondContact O-N 3.23Å; I289-S291 VanDerWaalsContact O-N 3.11Å
290A40.7Very low60.7Low86 Ų86121 Ų12171%0.71165%0.652SS**PPolyproline II helixtrans-56.7119.217700000107.6K288 T292K288-A290 PolarHBondContact O-N 2.67Å; A290-T292 PolarHBondContact O-N 3.45Å; A290-T292 VanDerWaalsContact O-N 3.12Å
291S40.5Very low59Low112 Ų112128.1 Ų128.178%0.78369%0.69SS**PPolyproline II helixtrans-49.4117.317749.50000109.9I289 Q293I289-S291 PolarHBondContact O-N 3.23Å; I289-S291 VanDerWaalsContact O-N 3.11Å; S291-Q293 PolarHBondContact O-N 2.71Å
292T40.1Very low57.1Low134 Ų134133.1 Ų133.182%0.82272%0.718SS**PPolyproline II helixtrans-51.7125176.1-42.30000110A290A290-T292 PolarHBondContact O-N 3.45Å; A290-T292 VanDerWaalsContact O-N 3.12Å
293Q39.3Very low54.8Low169 Ų169141.2 Ų141.279%0.7976%0.762SS**PPolyproline II helixtrans-54.8139.4174.8-74.8-86-26.500110.5S291S291-Q293 PolarHBondContact O-N 2.71Å
294P46.8Very low52.4Low117 Ų117146.9 Ų146.976%0.7680%0.796SS**PPolyproline II helixtrans-68.5137.8-179.728-32.1000111D296P294-D296 PolarHBondContact O-N 3.39Å
295I47.2Very low49.7Very low162 Ų162142.7 Ų142.783%0.83180%0.799SS**PPolyproline II helixtrans-65.5117.3-179.5-65.1164.3000109.2K297I295-K297 PolarHBondContact O-N 2.98Å
296D51.5Low47Very low163 Ų163145.8 Ų145.887%0.87283%0.832SS**PPolyproline II helixtrans-55.6131166-111-20.6000109.6P294P294-D296 PolarHBondContact O-N 3.39Å
297K52.1Low45Very low273 Ų273152.6 Ų152.6100%1.18784%0.842SS**  trans-110.90165.5-85.8-169.4176.6-176.50109.2I295I295-K297 PolarHBondContact O-N 2.98Å

Retrieved 297 of 297 residues in 81.7 ms (Link to these results)

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