A0A077Z4P5_TRITR Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 399 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
1M36.6Very low57.4Low242 Ų242127.3 Ų127.3100%1.19264%0.644SS**  0101.80-69.1160.19900109.1
2K40.1Very low59Low205 Ų205120.5 Ų120.589%0.89161%0.611SS**  trans-10325179.6-100-174.8178.5-1790113.2S4K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.33Å
3K42.4Very low60.7Low191 Ų191115.3 Ų115.383%0.8359%0.592SS**THydrogen-bonded Turntrans-79.90.3-177.7-81.9-172.4175.1-177.80115T7K3-T7 PolarHBondContact O-OG1 3.3Å
4S52.7Low62.1Low82 Ų82109.9 Ų109.957%0.57357%0.573SS**Hα-helixtrans-88.7-27.4-172.3163.70000115K2 T7K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.33Å; S4-T7 PolarHBondContact O-OG1 2.92Å
5S54Low63.4Low81 Ų81102.5 Ų102.557%0.56654%0.535SS*.Hα-helixtrans-78.4-42.5-175.360.60000112.6T7 N8 D9S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 3.26Å; S5-N8 PolarHBondContact O-N 3.15Å; S5-D9 PolarHBondContact O-N 3.28Å
6K55Low64.3Low145 Ų14597 Ų9763%0.6351%0.505SS*.Hα-helixtrans-65.1-35.7-175.8-166.3170.5-178.8175.80113.1E10K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 2.95Å; K6-E10 VanDerWaalsContact O-N 3.17Å
7T61.4Low65.3Low67 Ų6795.9 Ų95.941%0.41150%0.499SS..Hα-helixtrans-69.9-33.2177.541.90000112.5K3 S4 S5 N11K3-T7 PolarHBondContact O-OG1 3.3Å; S4-T7 PolarHBondContact O-OG1 2.92Å; S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 3.26Å; T7-N11 WeakPolarHBondContact O-CB 3.43Å; T7-N11 PolarHBondContact O-N 2.88Å; T7-N11 PolarHBondContact O-ND2 3.01Å
8N65.8Low66.2Low92 Ų9291.1 Ų91.149%0.49248%0.475SS..Hα-helixtrans-68.4-42.7174.8-77.6-7.4000111.9S5 N11 L12S5-N8 PolarHBondContact O-N 3.15Å; N8-N11 PolarHBondContact O-N 3.44Å; N8-L12 WeakPolarHBondContact O-CB 3.45Å; N8-L12 WeakPolarHBondContact O-CG 3.2Å; N8-L12 PolarHBondContact O-N 2.92Å
9D71.9Confident66.9Low97 Ų9786.3 Ų86.352%0.51945%0.45SS..Hα-helixtrans-64.9-39.5177.6-75.5-14.8000112.5S5 L12 S13S5-D9 PolarHBondContact O-N 3.28Å; D9-L12 PolarHBondContact O-N 3.02Å; D9-S13 WeakPolarHBondContact O-CB 3.18Å; D9-S13 PolarHBondContact O-N 2.88Å; D9-S13 PolarHBondContact O-OG 3.03Å
10E76Confident67.3Low112 Ų11287 Ų8752%0.52345%0.451SS..Hα-helixtrans-65.9-43175.5-74.3171.5-171.700111.3K6 S13 A14K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 2.95Å; K6-E10 VanDerWaalsContact O-N 3.17Å; E10-S13 PolarHBondContact O-N 3.29Å; E10-A14 WeakPolarHBondContact O-CB 3.05Å; E10-A14 PolarHBondContact O-N 3.23Å
11N75.9Confident67.9Low86 Ų8688.4 Ų88.446%0.4646%0.456SS..Hα-helixtrans-64-40175.7-76.1-22.3000112.4T7 N8 F15T7-N11 WeakPolarHBondContact O-CB 3.43Å; T7-N11 PolarHBondContact O-N 2.88Å; T7-N11 PolarHBondContact O-ND2 3.01Å; N8-N11 PolarHBondContact O-N 3.44Å; N11-F15 WeakPolarHBondContact O-CB 3.48Å; N11-F15 PolarHBondContact O-N 2.86Å
12L76.6Confident69.6Low46 Ų4678.3 Ų78.324%0.24141%0.414CS..Hα-helixtrans-65.8-43.3174.7-76.2173.1000111.5N8 D9 A14 F15 F16 C30N8-L12 WeakPolarHBondContact O-CB 3.45Å; N8-L12 WeakPolarHBondContact O-CG 3.2Å; N8-L12 PolarHBondContact O-N 2.92Å; D9-L12 PolarHBondContact O-N 3.02Å; L12-A14 PolarHBondContact O-N 3.36Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.93Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.35Å; L12-F16 PolarHBondContact O-N 2.94Å; L12-F16 VanDerWaalsContact O-N 3.07Å; L12-C30 HydrophobicContact CD2-CB 4.35Å
13S80.4Confident71.4Confident53 Ų5375.1 Ų75.137%0.37140%0.402SS..Hα-helixtrans-61.9-44.8177.1-55.40000111.2D9 E10 F15 F16 I17D9-S13 WeakPolarHBondContact O-CB 3.18Å; D9-S13 PolarHBondContact O-N 2.88Å; D9-S13 PolarHBondContact O-OG 3.03Å; E10-S13 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 2.7Å; S13-F16 PolarHBondContact O-N 2.83Å; S13-I17 WeakPolarHBondContact O-CG1 3.36Å; S13-I17 PolarHBondContact O-N 3.13Å; S13-I17 VanDerWaalsContact O-N 3.1Å
14A80.7Confident72.6Confident39 Ų3966.8 Ų66.832%0.32237%0.366SS..Hα-helixtrans-63.2-36.517600000112.5E10 L12 I17 A18 F27E10-A14 WeakPolarHBondContact O-CB 3.05Å; E10-A14 PolarHBondContact O-N 3.23Å; L12-A14 PolarHBondContact O-N 3.36Å; A14-I17 PolarHBondContact O-N 2.9Å; A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 2.88Å; A14-F27 HydrophobicContact CB-CE1 4.33Å; A14-F27 HydrophobicContact CB-CZ 4.22Å
15F81.2Confident73.2Confident0 Ų066 Ų660%037%0.371CS..Hα-helixtrans-61.8-47.1175.1170.4-121.1000112.3N11 L12 S13 A18 V19 I24 F27 C30 V31 A41N11-F15 WeakPolarHBondContact O-CB 3.48Å; N11-F15 PolarHBondContact O-N 2.86Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.93Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 2.7Å; F15-A18 WeakPolarHBondContact O-CB 3.15Å; F15-A18 PolarHBondContact O-N 3.4Å; F15-V19 HydrophobicContact CD2-CG2 4.26Å; F15-V19 HydrophobicContact CE1-CG2 4.48Å; F15-V19 HydrophobicContact CE2-CG2 3.93Å; F15-V19 HydrophobicContact CZ-CG2 4.03Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.19Å; F15-I24 HydrophobicContact CE2-CD1 3.56Å; F15-I24 HydrophobicContact CE2-CG1 3.86Å; F15-I24 HydrophobicContact CZ-CD1 4.12Å; F15-F27 HydrophobicContact CB-CB 4.31Å; F15-F27 HydrophobicContact CB-CD1 4.1Å; F15-F27 HydrophobicContact CB-CG 4.26Å; F15-F27 HydrophobicContact CD2-CB 3.22Å; F15-F27 AromaticContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CE2-CB 3.78Å; F15-F27 HydrophobicContact CG-CB 4.13Å; F15-C30 HydrophobicContact CB-CB 4.16Å; F15-C30 HydrophobicContact CD1-CB 3.51Å; F15-C30 HydrophobicContact CD2-CB 4.03Å; F15-C30 HydrophobicContact CE1-CB 3.78Å; F15-C30 WeakPolarHBondContact CE1-O 3.4Å; F15-C30 HydrophobicContact CE2-CB 4.22Å; F15-C30 HydrophobicContact CG-CB 3.62Å; F15-C30 HydrophobicContact CZ-CB 4.11Å; F15-V31 HydrophobicContact CZ-CG2 4.36Å; F15-A41 HydrophobicContact CE1-CB 3.7Å; F15-A41 HydrophobicContact CZ-CB 3.55Å
16F78.1Confident73.9Confident14 Ų1471.5 Ų71.56%0.06139%0.385CS..Hα-helixtrans-67-37.9178.7-81.4-78000112.4L12 S13 A18 V19 E20 N35 F39 V44L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.35Å; L12-F16 PolarHBondContact O-N 2.94Å; L12-F16 VanDerWaalsContact O-N 3.07Å; S13-F16 PolarHBondContact O-N 2.83Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.21Å; F16-V19 WeakPolarHBondContact O-CB 3.35Å; F16-V19 PolarHBondContact O-N 2.95Å; F16-V19 VanDerWaalsContact O-N 3.15Å; F16-E20 WeakPolarHBondContact O-CG 3.28Å; F16-E20 PolarHBondContact O-N 3.01Å; F16-N35 HydrophobicContact CD1-CB 3.96Å; F16-N35 HydrophobicContact CD2-CB 3.75Å; F16-N35 HydrophobicContact CE1-CB 3.81Å; F16-N35 HydrophobicContact CE2-CB 3.62Å; F16-N35 HydrophobicContact CG-CB 3.94Å; F16-N35 HydrophobicContact CZ-CB 3.66Å; F16-F39 WeakPolarHBondContact CE1-O 2.75Å; F16-F39 VanDerWaalsContact CZ-O 3.29Å; F16-F39 WeakPolarHBondContact CZ-O 3.27Å; F16-V44 HydrophobicContact CD1-CG2 3.89Å; F16-V44 HydrophobicContact CE1-CG2 3.98Å
17I82.1Confident74.5Confident79 Ų7967.2 Ų67.241%0.40537%0.366SS..Hα-helixtrans-60-41.9171.8-66.3165.7000110.9S13 A14 V19 E20 Q21S13-I17 WeakPolarHBondContact O-CG1 3.36Å; S13-I17 PolarHBondContact O-N 3.13Å; S13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 2.9Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.87Å; I17-E20 WeakPolarHBondContact O-CB 3.39Å; I17-E20 PolarHBondContact O-N 3.32Å; I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 WeakPolarHBondContact O-CB 3.37Å; I17-Q21 VanDerWaalsContact O-CG 3.3Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 3.16Å
18A81.3Confident74.7Confident8 Ų867.6 Ų67.67%0.06637%0.365CS..Hα-helixtrans-63.6-37.2175.900000112.3A14 F15 F16 Q21 G22 E23 F27A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 2.88Å; F15-A18 WeakPolarHBondContact O-CB 3.15Å; F15-A18 PolarHBondContact O-N 3.4Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.21Å; A18-Q21 PolarHBondContact O-N 2.68Å; A18-G22 PolarHBondContact O-N 3.45Å; A18-E23 WeakPolarHBondContact CB-O 3.5Å; A18-E23 PolarHBondContact O-N 2.75Å; A18-F27 HydrophobicContact CB-CD2 4.03Å; A18-F27 HydrophobicContact CB-CE2 4.02Å
19V78.3Confident74.8Confident0 Ų074.9 Ų74.90%039%0.386CS..Hα-helixtrans-64.1-42.4172.8173.90000111.2F15 F16 I17 Q21 G22 I24 A41 V44 A45F15-V19 HydrophobicContact CD2-CG2 4.26Å; F15-V19 HydrophobicContact CE1-CG2 4.48Å; F15-V19 HydrophobicContact CE2-CG2 3.93Å; F15-V19 HydrophobicContact CZ-CG2 4.03Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.19Å; F16-V19 WeakPolarHBondContact O-CB 3.35Å; F16-V19 PolarHBondContact O-N 2.95Å; F16-V19 VanDerWaalsContact O-N 3.15Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.87Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.04Å; V19-G22 PolarHBondContact O-N 3.43Å; V19-I24 HydrophobicContact CG2-CD1 4.3Å; V19-A41 WeakPolarHBondContact CG1-O 3.18Å; V19-A41 HydrophobicContact CG2-CB 3.9Å; V19-V44 HydrophobicContact CG1-CB 4.11Å; V19-V44 HydrophobicContact CG1-CG1 4.02Å; V19-A45 HydrophobicContact CG1-CB 4.17Å
20E75.5Confident74.7Confident100 Ų10071.4 Ų71.447%0.46737%0.369SS..Hα-helixtrans-61.7-37.5175.7-66.8173.417300112.5F16 I17 V44 L48 R50F16-E20 WeakPolarHBondContact O-CG 3.28Å; F16-E20 PolarHBondContact O-N 3.01Å; I17-E20 WeakPolarHBondContact O-CB 3.39Å; I17-E20 PolarHBondContact O-N 3.32Å; E20-V44 HydrophobicContact CG-CG1 4Å; E20-L48 HydrophobicContact CB-CD1 4Å; E20-L48 HydrophobicContact CG-CD1 3.9Å; E20-R50 PolarHBondContact O-NE 2.93Å; E20-R50 PolarHBondContact O-NH2 2.8Å
21Q79Confident74.5Confident117 Ų11766.6 Ų66.655%0.54735%0.347SS..Hα-helixtrans-81.6-19.1-179.9-69.3176.6-1.600113.7I17 A18 V19I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 WeakPolarHBondContact O-CB 3.37Å; I17-Q21 VanDerWaalsContact O-CG 3.3Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 3.16Å; A18-Q21 PolarHBondContact O-N 2.68Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.04Å
22G73.6Confident74.2Confident30 Ų3068 Ų6831%0.30936%0.363SS..THydrogen-bonded Turntrans89.719.6-178.100000114.9A18 V19 M53A18-G22 PolarHBondContact O-N 3.45Å; V19-G22 PolarHBondContact O-N 3.43Å; G22-M53 VanDerWaalsContact C-SD 3.57Å
23E77.7Confident74.2Confident138 Ų13867.3 Ų67.365%0.64536%0.363SS*.  trans-12276.7-170.2-65.3-166.8-175.400113.5A18 G25A18-E23 WeakPolarHBondContact CB-O 3.5Å; A18-E23 PolarHBondContact O-N 2.75Å; E23-G25 PolarHBondContact O-N 3.04Å
24I67.8Low74Confident16 Ų1668.4 Ų68.48%0.08237%0.367CS..  trans-96.947.9-177-158.1168.9000113.8F15 V19 V31 M53 L56 L57F15-I24 HydrophobicContact CE2-CD1 3.56Å; F15-I24 HydrophobicContact CE2-CG1 3.86Å; F15-I24 HydrophobicContact CZ-CD1 4.12Å; V19-I24 HydrophobicContact CG2-CD1 4.3Å; I24-V31 HydrophobicContact CD1-CG2 4.37Å; I24-M53 HydrophobicContact CB-CE 3.85Å; I24-M53 HydrophobicContact CB-SD 4.48Å; I24-M53 HydrophobicContact CG2-CE 4.03Å; I24-M53 HydrophobicContact CG2-SD 4.05Å; I24-L56 HydrophobicContact CG2-CD2 3.19Å; I24-L56 HydrophobicContact CG2-CG 4.49Å; I24-L57 HydrophobicContact CD1-CD2 3.47Å; I24-L57 VanDerWaalsContact CD1-CD2 3.47Å; I24-L57 HydrophobicContact CD1-CG 4.37Å
25G66.2Low73.5Confident65 Ų6568.2 Ų68.267%0.6736%0.36SS*.SBendtrans-71.4-46.5-177.600000114.5E23E23-G25 PolarHBondContact O-N 3.04Å
26K67.6Low72.8Confident197 Ų19778.8 Ų78.886%0.85740%0.4SS*.SBendtrans-106.4-3.6-168.7-66.4-179.7-177.8173.60114.7
27F67.1Low71.9Confident55 Ų5583 Ų8324%0.24142%0.423CS..  trans-111.320.8-164.9-60-79.1000114.8A14 F15 A18 R29 C30A14-F27 HydrophobicContact CB-CE1 4.33Å; A14-F27 HydrophobicContact CB-CZ 4.22Å; F15-F27 HydrophobicContact CB-CB 4.31Å; F15-F27 HydrophobicContact CB-CD1 4.1Å; F15-F27 HydrophobicContact CB-CG 4.26Å; F15-F27 HydrophobicContact CD2-CB 3.22Å; F15-F27 AromaticContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CE2-CB 3.78Å; F15-F27 HydrophobicContact CG-CB 4.13Å; A18-F27 HydrophobicContact CB-CD2 4.03Å; A18-F27 HydrophobicContact CB-CE2 4.02Å; F27-R29 PolarHBondContact O-N 2.79Å; F27-C30 PolarHBondContact O-N 3.45Å
28I66.5Low71.1Confident76 Ų7680.3 Ų80.339%0.3942%0.415SS..G310 helixtrans-54-27.4-179.6-62.1165.8000112.4C30 V31 Y60I28-C30 VanDerWaalsContact C-N 3.28Å; I28-C30 PolarHBondContact O-N 3.41Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 WeakPolarHBondContact O-CG2 3.26Å; I28-Y60 HydrophobicContact CD1-CE1 3.7Å; I28-Y60 HydrophobicContact CG1-CD1 4.45Å; I28-Y60 HydrophobicContact CG1-CE1 3.99Å; I28-Y60 HydrophobicContact CG2-CD1 3.68Å; I28-Y60 HydrophobicContact CG2-CE1 3.83Å; I28-Y60 HydrophobicContact CG2-CG 4.46Å
29R68.1Low70.4Confident245 Ų24581.1 Ų81.193%0.92542%0.417SS*.G310 helixtrans-70.9-17.5178.4-68.8-175.4176.3178.6-0.9114.7F27F27-R29 PolarHBondContact O-N 2.79Å
30C69.5Low70.4Confident24 Ų2481.6 Ų81.616%0.16242%0.421CS..G310 helixtrans-99.43.8-176.4-63.90000113.1L12 F15 F27 I28 S32 S33L12-C30 HydrophobicContact CD2-CB 4.35Å; F15-C30 HydrophobicContact CB-CB 4.16Å; F15-C30 HydrophobicContact CD1-CB 3.51Å; F15-C30 HydrophobicContact CD2-CB 4.03Å; F15-C30 HydrophobicContact CE1-CB 3.78Å; F15-C30 WeakPolarHBondContact CE1-O 3.4Å; F15-C30 HydrophobicContact CE2-CB 4.22Å; F15-C30 HydrophobicContact CG-CB 3.62Å; F15-C30 HydrophobicContact CZ-CB 4.11Å; F27-C30 PolarHBondContact O-N 3.45Å; I28-C30 VanDerWaalsContact C-N 3.28Å; I28-C30 PolarHBondContact O-N 3.41Å; C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 2.82Å; C30-S33 WeakPolarHBondContact O-CB 3.32Å; C30-S33 PolarHBondContact O-N 2.97Å; C30-S33 PolarHBondContact O-OG 3.15Å
31V71Confident70.6Confident11 Ų1176.8 Ų76.87%0.06740%0.398CS..THydrogen-bonded Turntrans-59.5-31.2-170.81720000113.6F15 I24 I28 L57 C62F15-V31 HydrophobicContact CZ-CG2 4.36Å; I24-V31 HydrophobicContact CD1-CG2 4.37Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 WeakPolarHBondContact O-CG2 3.26Å; V31-L57 HydrophobicContact CG1-CD2 4.15Å; V31-L57 HydrophobicContact CG2-CD2 4.37Å; V31-C62 HydrophobicContact CG1-CB 4.42Å; V31-C62 WeakPolarHBondContact CG1-SG 3.13Å; V31-C62 PolarHBondContact O-SG 3.26Å; V31-C62 VanDerWaalsContact O-SG 3.36Å
32S70.7Confident70.6Confident114 Ų11471.5 Ų71.580%0.79737%0.374SS*.THydrogen-bonded Turntrans-89.12.5175.258.50000114.7C30C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 2.82Å
33S77Confident70.4Confident33 Ų3370 Ų7023%0.23136%0.359CS..  trans-83.2152.9-179.2-55.30000111.6C30C30-S33 WeakPolarHBondContact O-CB 3.32Å; C30-S33 PolarHBondContact O-N 2.97Å; C30-S33 PolarHBondContact O-OG 3.15Å
34V75.8Confident70.2Confident75 Ų7563.9 Ų63.946%0.45533%0.331SS..BIsolated β-bridgetrans-108.2149.8172.8-64.40000110.9F39V34-F39 CarbonylContact C-O 3.56Å; V34-F39 VanDerWaalsContact CA-O 3.24Å; V34-F39 WeakPolarHBondContact CA-O 3.5Å
35N68.8Low70.6Confident36 Ų3663.1 Ų63.119%0.19333%0.327CS..  trans-75.8-178.4174.278-6.7000110.9F16 D37 G38 F39F16-N35 HydrophobicContact CD1-CB 3.96Å; F16-N35 HydrophobicContact CD2-CB 3.75Å; F16-N35 HydrophobicContact CE1-CB 3.81Å; F16-N35 HydrophobicContact CE2-CB 3.62Å; F16-N35 HydrophobicContact CG-CB 3.94Å; F16-N35 HydrophobicContact CZ-CB 3.66Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact O-N 3.15Å; N35-D37 WeakPolarHBondContact OD1-CA 3.48Å; N35-D37 WeakPolarHBondContact OD1-CB 3.47Å; N35-D37 PolarHBondContact OD1-N 2.8Å; N35-G38 PolarHBondContact O-N 3.33Å; N35-G38 PolarHBondContact OD1-N 3.16Å; N35-F39 PolarHBondContact N-O 3.25Å; N35-F39 PolarHBondContact OD1-N 2.8Å
36R68.3Low70.9Confident221 Ų22162.6 Ų62.683%0.83431%0.311SS*.THydrogen-bonded Turntrans-59.2-25.3178.3-67.6-176.3-176.7173.33.3113.8
37D58.6Low70.8Confident103 Ų10355.8 Ų55.855%0.55128%0.283SS*.THydrogen-bonded Turntrans-92.1-1.5-178.8-48.3-51.2000112.3N35 F39N35-D37 PolarHBondContact ND2-OD2 3.27Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact O-N 3.15Å; N35-D37 WeakPolarHBondContact OD1-CA 3.48Å; N35-D37 WeakPolarHBondContact OD1-CB 3.47Å; N35-D37 PolarHBondContact OD1-N 2.8Å; D37-F39 HydrophobicContact CB-CD2 3.61Å; D37-F39 HydrophobicContact CB-CE2 3.69Å
38G64.5Low71.1Confident23 Ų2357.3 Ų57.324%0.23729%0.293CS..SBendtrans86.511.6-179.600000115.1N35 K100N35-G38 PolarHBondContact O-N 3.33Å; N35-G38 PolarHBondContact OD1-N 3.16Å; G38-K100 VanDerWaalsContact O-CE 3.24Å; G38-K100 WeakPolarHBondContact O-CE 3.3Å
39F67.8Low71.1Confident24 Ų2458.1 Ų58.111%0.10530%0.298CS..  trans-86.8132.3176.5-62.5-64.1000111.8F16 V34 N35 D37 D43 V44 M47 P96 K100F16-F39 WeakPolarHBondContact CE1-O 2.75Å; F16-F39 VanDerWaalsContact CZ-O 3.29Å; F16-F39 WeakPolarHBondContact CZ-O 3.27Å; V34-F39 CarbonylContact C-O 3.56Å; V34-F39 VanDerWaalsContact CA-O 3.24Å; V34-F39 WeakPolarHBondContact CA-O 3.5Å; N35-F39 PolarHBondContact N-O 3.25Å; N35-F39 PolarHBondContact OD1-N 2.8Å; D37-F39 HydrophobicContact CB-CD2 3.61Å; D37-F39 HydrophobicContact CB-CE2 3.69Å; F39-D43 HydrophobicContact CB-CB 4.04Å; F39-D43 HydrophobicContact CD1-CB 4.01Å; F39-D43 HydrophobicContact CG-CB 4.47Å; F39-V44 HydrophobicContact CB-CG2 4.03Å; F39-M47 HydrophobicContact CB-CE 4.49Å; F39-M47 HydrophobicContact CD1-CE 3.99Å; F39-M47 HydrophobicContact CD2-CE 4.15Å; F39-M47 HydrophobicContact CE1-CE 4.19Å; F39-M47 HydrophobicContact CE1-SD 4.25Å; F39-M47 HydrophobicContact CE2-CE 4.36Å; F39-M47 HydrophobicContact CG-CE 3.96Å; F39-M47 HydrophobicContact CZ-CE 4.36Å; F39-M47 HydrophobicContact CZ-SD 4.37Å; F39-P96 HydrophobicContact CE1-CB 4.34Å; F39-P96 HydrophobicContact CE2-CB 4.13Å; F39-P96 HydrophobicContact CZ-CB 3.5Å; F39-P96 VanDerWaalsContact CZ-CB 3.5Å; F39-K100 HydrophobicContact CD1-CG 3.81Å; F39-K100 HydrophobicContact CE1-CG 3.89Å; F39-K100 WeakPolarHBondContact CE1-O 3.26Å
40S77.2Confident71.4Confident10 Ų1051.9 Ų51.97%0.0727%0.274CS..BIsolated β-bridgetrans-72164.516773.50000111L42 D43 V44S40-L42 PolarHBondContact O-N 3.25Å; S40-L42 PolarHBondContact OG-N 3.28Å; S40-D43 WeakPolarHBondContact CB-OD2 3.48Å; S40-D43 PolarHBondContact N-OD2 2.96Å; S40-D43 WeakPolarHBondContact O-CB 3.48Å; S40-D43 PolarHBondContact O-N 3.41Å; S40-D43 VanDerWaalsContact O-N 3.13Å; S40-D43 PolarHBondContact OG-N 2.99Å; S40-D43 VanDerWaalsContact OG-N 3.16Å; S40-D43 PolarHBondContact OG-OD1 3.14Å; S40-D43 PolarHBondContact OG-OD2 2.74Å; S40-V44 PolarHBondContact O-N 2.89Å; S40-V44 VanDerWaalsContact O-N 3.15Å
41A79.7Confident71.7Confident0 Ų056.7 Ų56.70%029%0.294CS..Hα-helixtrans-57.5-36.517300000112.6F15 V19 D43 V44 A45 L57F15-A41 HydrophobicContact CE1-CB 3.7Å; F15-A41 HydrophobicContact CZ-CB 3.55Å; V19-A41 WeakPolarHBondContact CG1-O 3.18Å; V19-A41 HydrophobicContact CG2-CB 3.9Å; A41-D43 VanDerWaalsContact C-N 3.33Å; A41-V44 PolarHBondContact O-N 3.42Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.24Å; A41-L57 HydrophobicContact CB-CD1 4.06Å; A41-L57 HydrophobicContact CB-CD2 3.87Å; A41-L57 WeakPolarHBondContact O-CD1 3.26Å
42L78.4Confident72.2Confident5 Ų564.3 Ų64.33%0.02633%0.329CS..Hα-helixtrans-66-38.2177.7-177.362.2000111.3S40 T46 L57 L58 C62 E64S40-L42 PolarHBondContact O-N 3.25Å; S40-L42 PolarHBondContact OG-N 3.28Å; L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.16Å; L42-T46 PolarHBondContact O-N 2.8Å; L42-T46 PolarHBondContact O-OG1 2.8Å; L42-L57 HydrophobicContact CB-CD1 4.48Å; L42-L57 HydrophobicContact CD1-CB 4.07Å; L42-L58 HydrophobicContact CD1-CD2 4.42Å; L42-L58 HydrophobicContact CD1-CG 4.09Å; L42-L58 HydrophobicContact CD2-CD2 3.76Å; L42-L58 HydrophobicContact CD2-CG 4.33Å; L42-C62 HydrophobicContact CB-CB 4.04Å; L42-C62 HydrophobicContact CD2-CB 3.99Å; L42-E64 HydrophobicContact CD2-CG 4.23Å
43D70Confident72.6Confident0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-61.6-48.9175.8-55.9-33.2000110.2F39 S40 A41 T46 M47 K100 Y101F39-D43 HydrophobicContact CB-CB 4.04Å; F39-D43 HydrophobicContact CD1-CB 4.01Å; F39-D43 HydrophobicContact CG-CB 4.47Å; S40-D43 WeakPolarHBondContact CB-OD2 3.48Å; S40-D43 PolarHBondContact N-OD2 2.96Å; S40-D43 WeakPolarHBondContact O-CB 3.48Å; S40-D43 PolarHBondContact O-N 3.41Å; S40-D43 VanDerWaalsContact O-N 3.13Å; S40-D43 PolarHBondContact OG-N 2.99Å; S40-D43 VanDerWaalsContact OG-N 3.16Å; S40-D43 PolarHBondContact OG-OD1 3.14Å; S40-D43 PolarHBondContact OG-OD2 2.74Å; A41-D43 VanDerWaalsContact C-N 3.33Å; D43-T46 PolarHBondContact O-N 2.92Å; D43-M47 WeakPolarHBondContact O-CB 3.31Å; D43-M47 VanDerWaalsContact O-CG 3.32Å; D43-M47 WeakPolarHBondContact O-CG 3.26Å; D43-M47 PolarHBondContact O-N 2.87Å; D43-K100 IonicContact OD1-NZ 3.36Å; D43-K100 WeakPolarHBondContact OD2-CD 3.25Å; D43-K100 WeakPolarHBondContact OD2-CE 3.42Å; D43-K100 IonicContact OD2-NZ 3.36Å; D43-K100 PolarHBondContact OD2-NZ 3.03Å; D43-Y101 PolarHBondContact OD1-OH 3.02Å
44V72.7Confident72.7Confident9 Ų958.8 Ų58.86%0.05529%0.289CS..Hα-helixtrans-62.7-46.6179.9177.50000111.8F16 V19 E20 F39 S40 A41 T46 M47 L48F16-V44 HydrophobicContact CD1-CG2 3.89Å; F16-V44 HydrophobicContact CE1-CG2 3.98Å; V19-V44 HydrophobicContact CG1-CB 4.11Å; V19-V44 HydrophobicContact CG1-CG1 4.02Å; E20-V44 HydrophobicContact CG-CG1 4Å; F39-V44 HydrophobicContact CB-CG2 4.03Å; S40-V44 PolarHBondContact O-N 2.89Å; S40-V44 VanDerWaalsContact O-N 3.15Å; A41-V44 PolarHBondContact O-N 3.42Å; V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.88Å; V44-M47 HydrophobicContact CB-CE 4.49Å; V44-M47 HydrophobicContact CG2-CE 4.09Å; V44-M47 PolarHBondContact O-N 3.46Å; V44-L48 HydrophobicContact CG1-CD1 3.89Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.32Å; V44-L48 PolarHBondContact O-N 3.47Å
45A76.7Confident72.8Confident0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-59-41.7176.800000111.9V19 A41 L48 N49 R50 M53 L57V19-A45 HydrophobicContact CG1-CB 4.17Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.24Å; A45-L48 PolarHBondContact O-N 3.01Å; A45-N49 PolarHBondContact O-N 3.44Å; A45-R50 HydrophobicContact CB-CB 4.48Å; A45-R50 PolarHBondContact O-N 2.9Å; A45-M53 HydrophobicContact CB-CB 3.99Å; A45-L57 HydrophobicContact CB-CD1 3.75Å
46T72.1Confident73.4Confident54 Ų5461.1 Ų61.133%0.33130%0.295SS..Hα-helixtrans-69.9-42.4180-550000111.8L42 D43 V44 L48 N49 S54 Y101L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.16Å; L42-T46 PolarHBondContact O-N 2.8Å; L42-T46 PolarHBondContact O-OG1 2.8Å; D43-T46 PolarHBondContact O-N 2.92Å; V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.88Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.88Å; T46-N49 PolarHBondContact O-N 3.36Å; T46-S54 PolarHBondContact OG1-OG 2.81Å; T46-Y101 HydrophobicContact CG2-CD1 3.89Å; T46-Y101 HydrophobicContact CG2-CE1 3.84Å
47M66Low74.1Confident54 Ų5450.6 Ų50.627%0.26626%0.255SS..Hα-helixtrans-60.1-39.3175.9-75.3-171.4-66.300112.3F39 D43 V44 N49 K102F39-M47 HydrophobicContact CB-CE 4.49Å; F39-M47 HydrophobicContact CD1-CE 3.99Å; F39-M47 HydrophobicContact CD2-CE 4.15Å; F39-M47 HydrophobicContact CE1-CE 4.19Å; F39-M47 HydrophobicContact CE1-SD 4.25Å; F39-M47 HydrophobicContact CE2-CE 4.36Å; F39-M47 HydrophobicContact CG-CE 3.96Å; F39-M47 HydrophobicContact CZ-CE 4.36Å; F39-M47 HydrophobicContact CZ-SD 4.37Å; D43-M47 WeakPolarHBondContact O-CB 3.31Å; D43-M47 VanDerWaalsContact O-CG 3.32Å; D43-M47 WeakPolarHBondContact O-CG 3.26Å; D43-M47 PolarHBondContact O-N 2.87Å; V44-M47 HydrophobicContact CB-CE 4.49Å; V44-M47 HydrophobicContact CG2-CE 4.09Å; V44-M47 PolarHBondContact O-N 3.46Å; M47-N49 PolarHBondContact O-N 3.36Å; M47-K102 WeakPolarHBondContact O-CE 3.47Å
48L73.2Confident75.1Confident86 Ų8649.4 Ų49.445%0.4525%0.249SC..THydrogen-bonded Turntrans-80.92.1177.6-63.9174.7000113.8E20 V44 A45 T46 R50E20-L48 HydrophobicContact CB-CD1 4Å; E20-L48 HydrophobicContact CG-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CD1 3.89Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.32Å; V44-L48 PolarHBondContact O-N 3.47Å; A45-L48 PolarHBondContact O-N 3.01Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.88Å; L48-R50 HydrophobicContact CB-CG 3.83Å; L48-R50 PolarHBondContact O-N 2.91Å
49N66.4Low75.8Confident94 Ų9457.6 Ų57.650%0.50327%0.272SS..THydrogen-bonded Turntrans57.133.9-178.3-155.262.2000113.3A45 T46 M47 H51A45-N49 PolarHBondContact O-N 3.44Å; T46-N49 PolarHBondContact O-N 3.36Å; M47-N49 PolarHBondContact O-N 3.36Å; N49-H51 PolarHBondContact ND2-NE2 2.84Å; N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 PolarHBondContact OD1-CE1 2.95Å; N49-H51 PolarHBondContact OD1-NE2 2.88Å
50R76.1Confident76.4Confident113 Ų11362 Ų6243%0.42629%0.289SS..  trans-87.974.2178-64.1-76.5-165.1-1794.1109.7E20 A45 L48 E52 M53 S54E20-R50 PolarHBondContact O-NE 2.93Å; E20-R50 PolarHBondContact O-NH2 2.8Å; A45-R50 HydrophobicContact CB-CB 4.48Å; A45-R50 PolarHBondContact O-N 2.9Å; L48-R50 HydrophobicContact CB-CG 3.83Å; L48-R50 PolarHBondContact O-N 2.91Å; R50-E52 PolarHBondContact O-N 3.11Å; R50-M53 HydrophobicContact CB-CB 3.92Å; R50-M53 HydrophobicContact CB-CG 4.19Å; R50-M53 WeakPolarHBondContact O-CB 3.4Å; R50-M53 PolarHBondContact O-N 2.84Å; R50-S54 PolarHBondContact O-N 3.02Å; R50-S54 PolarHBondContact O-OG 3.06Å
51H75.7Confident76.2Confident126 Ų12664.2 Ų64.258%0.58331%0.313SS*.Hα-helixtrans-55.2-44.3-172.4-59.5-65.1000114.3N49 M53 S54 E55N49-H51 PolarHBondContact ND2-NE2 2.84Å; N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 PolarHBondContact OD1-CE1 2.95Å; N49-H51 PolarHBondContact OD1-NE2 2.88Å; H51-M53 VanDerWaalsContact C-N 3.28Å; H51-M53 PolarHBondContact O-N 3.3Å; H51-S54 PolarHBondContact O-N 2.74Å; H51-E55 PolarHBondContact O-N 3.41Å
52E80.1Confident75.9Confident170 Ų17064.9 Ų64.979%0.79432%0.318SS*.Hα-helixtrans-60.8-38.3178-65.2176.8179.900112R50 L56R50-E52 PolarHBondContact O-N 3.11Å; E52-L56 VanDerWaalsContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 PolarHBondContact O-N 3.08Å
53M79.7Confident75.4Confident16 Ų1671.7 Ų71.78%0.07935%0.35CS..Hα-helixtrans-71.1-41.6177-71.7-72.2-82.200111.5G22 I24 A45 R50 H51 E55 L56 L57G22-M53 VanDerWaalsContact C-SD 3.57Å; I24-M53 HydrophobicContact CB-CE 3.85Å; I24-M53 HydrophobicContact CB-SD 4.48Å; I24-M53 HydrophobicContact CG2-CE 4.03Å; I24-M53 HydrophobicContact CG2-SD 4.05Å; A45-M53 HydrophobicContact CB-CB 3.99Å; R50-M53 HydrophobicContact CB-CB 3.92Å; R50-M53 HydrophobicContact CB-CG 4.19Å; R50-M53 WeakPolarHBondContact O-CB 3.4Å; R50-M53 PolarHBondContact O-N 2.84Å; H51-M53 VanDerWaalsContact C-N 3.28Å; H51-M53 PolarHBondContact O-N 3.3Å; M53-E55 VanDerWaalsContact C-N 3.34Å; M53-E55 PolarHBondContact O-N 2.88Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L57 VanDerWaalsContact O-CB 3.31Å; M53-L57 WeakPolarHBondContact O-CB 3.45Å; M53-L57 WeakPolarHBondContact O-CD1 3.44Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 2.95Å
54S78.7Confident75.2Confident15 Ų1575.2 Ų75.211%0.10537%0.366CS..Hα-helixtrans-59.6-45.7174.6-63.20000111.1T46 R50 H51 L56 L57 L58T46-S54 PolarHBondContact OG1-OG 2.81Å; R50-S54 PolarHBondContact O-N 3.02Å; R50-S54 PolarHBondContact O-OG 3.06Å; H51-S54 PolarHBondContact O-N 2.74Å; S54-L56 PolarHBondContact O-N 3.05Å; S54-L57 PolarHBondContact O-N 3.42Å; S54-L58 VanDerWaalsContact O-CG 3.26Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 2.76Å
55E77.4Confident74.4Confident100 Ų10079.4 Ų79.447%0.46739%0.388SS..Hα-helixtrans-61.6-45.2176.6-170-173.9165.400111.6H51 M53 L58 R59H51-E55 PolarHBondContact O-N 3.41Å; M53-E55 VanDerWaalsContact C-N 3.34Å; M53-E55 PolarHBondContact O-N 2.88Å; E55-L58 WeakPolarHBondContact O-CB 3.32Å; E55-L58 PolarHBondContact O-N 3.42Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.79Å; E55-R59 IonicContact OE1-CZ 3.98Å; E55-R59 IonicContact OE1-NE 2.65Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 2.82Å
56L81.7Confident73.4Confident60 Ų6080.2 Ų80.231%0.31439%0.394SS..Hα-helixtrans-64.7-43179.5-178143.8000111.6I24 E52 M53 S54 L58 R59 Y60I24-L56 HydrophobicContact CG2-CD2 3.19Å; I24-L56 HydrophobicContact CG2-CG 4.49Å; E52-L56 VanDerWaalsContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 PolarHBondContact O-N 3.08Å; M53-L56 PolarHBondContact O-N 2.9Å; S54-L56 PolarHBondContact O-N 3.05Å; L56-L58 PolarHBondContact O-N 3.46Å; L56-R59 WeakPolarHBondContact O-CB 3.36Å; L56-R59 PolarHBondContact O-N 3.38Å; L56-Y60 HydrophobicContact CD1-CE2 4.3Å; L56-Y60 HydrophobicContact CD2-CD2 3.59Å; L56-Y60 HydrophobicContact CD2-CE2 3.55Å; L56-Y60 HydrophobicContact CG-CD2 3.93Å; L56-Y60 HydrophobicContact CG-CE2 3.72Å; L56-Y60 WeakPolarHBondContact O-CD2 3.46Å; L56-Y60 PolarHBondContact O-N 3.21Å
57L82.6Confident72.5Confident0 Ų085.3 Ų85.30%041%0.414CS..Hα-helixtrans-60.9-42.4175.3-74.7166.4000111.9I24 V31 A41 L42 A45 M53 S54 R59 Y60 G61 C62I24-L57 HydrophobicContact CD1-CD2 3.47Å; I24-L57 VanDerWaalsContact CD1-CD2 3.47Å; I24-L57 HydrophobicContact CD1-CG 4.37Å; V31-L57 HydrophobicContact CG1-CD2 4.15Å; V31-L57 HydrophobicContact CG2-CD2 4.37Å; A41-L57 HydrophobicContact CB-CD1 4.06Å; A41-L57 HydrophobicContact CB-CD2 3.87Å; A41-L57 WeakPolarHBondContact O-CD1 3.26Å; L42-L57 HydrophobicContact CB-CD1 4.48Å; L42-L57 HydrophobicContact CD1-CB 4.07Å; A45-L57 HydrophobicContact CB-CD1 3.75Å; M53-L57 VanDerWaalsContact O-CB 3.31Å; M53-L57 WeakPolarHBondContact O-CB 3.45Å; M53-L57 WeakPolarHBondContact O-CD1 3.44Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 2.95Å; S54-L57 PolarHBondContact O-N 3.42Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 2.95Å; L57-Y60 PolarHBondContact O-N 3.42Å; L57-G61 PolarHBondContact O-N 2.92Å; L57-C62 HydrophobicContact CB-CB 4.22Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.45Å; L57-C62 PolarHBondContact O-N 2.91Å
58L80.8Confident72.4Confident78 Ų7886.7 Ų86.741%0.40843%0.429SS..Hα-helixtrans-59.7-43173.3-72.4167.7000111.5L42 S54 E55 L56 Y60 G61 E64L42-L58 HydrophobicContact CD1-CD2 4.42Å; L42-L58 HydrophobicContact CD1-CG 4.09Å; L42-L58 HydrophobicContact CD2-CD2 3.76Å; L42-L58 HydrophobicContact CD2-CG 4.33Å; S54-L58 VanDerWaalsContact O-CG 3.26Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 2.76Å; E55-L58 WeakPolarHBondContact O-CB 3.32Å; E55-L58 PolarHBondContact O-N 3.42Å; L56-L58 PolarHBondContact O-N 3.46Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.86Å; L58-G61 PolarHBondContact O-N 3.42Å; L58-E64 HydrophobicContact CD2-CG 4.31Å
59R78.8Confident72.1Confident195 Ų19585.5 Ų85.574%0.73643%0.425SS*.Hα-helixtrans-62.8-31.4175.4-71.3-179.8-175.3-161.54113.1E55 L56 L57 G61E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.79Å; E55-R59 IonicContact OE1-CZ 3.98Å; E55-R59 IonicContact OE1-NE 2.65Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 2.82Å; L56-R59 WeakPolarHBondContact O-CB 3.36Å; L56-R59 PolarHBondContact O-N 3.38Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 2.95Å; R59-G61 PolarHBondContact O-N 3.42Å
60Y81.6Confident72.3Confident117 Ų11781.7 Ų81.746%0.45941%0.405SS..THydrogen-bonded Turntrans-81.23.4175.1-79.6-71.6000114I28 L56 L57 L58I28-Y60 HydrophobicContact CD1-CE1 3.7Å; I28-Y60 HydrophobicContact CG1-CD1 4.45Å; I28-Y60 HydrophobicContact CG1-CE1 3.99Å; I28-Y60 HydrophobicContact CG2-CD1 3.68Å; I28-Y60 HydrophobicContact CG2-CE1 3.83Å; I28-Y60 HydrophobicContact CG2-CG 4.46Å; L56-Y60 HydrophobicContact CD1-CE2 4.3Å; L56-Y60 HydrophobicContact CD2-CD2 3.59Å; L56-Y60 HydrophobicContact CD2-CE2 3.55Å; L56-Y60 HydrophobicContact CG-CD2 3.93Å; L56-Y60 HydrophobicContact CG-CE2 3.72Å; L56-Y60 WeakPolarHBondContact O-CD2 3.46Å; L56-Y60 PolarHBondContact O-N 3.21Å; L57-Y60 PolarHBondContact O-N 3.42Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.86Å
61G71.8Confident72.2Confident56 Ų5680.3 Ų80.358%0.57742%0.418SS*.THydrogen-bonded Turntrans91.212.7175.300000114.8L57 L58 R59 Q63L57-G61 PolarHBondContact O-N 2.92Å; L58-G61 PolarHBondContact O-N 3.42Å; R59-G61 PolarHBondContact O-N 3.42Å; G61-Q63 PolarHBondContact O-N 3.16Å
62C73.8Confident72.3Confident14 Ų1479.3 Ų79.310%0.09541%0.414CS..  trans-57.2127.6160.9-82.50000108.5V31 L42 L57V31-C62 HydrophobicContact CG1-CB 4.42Å; V31-C62 WeakPolarHBondContact CG1-SG 3.13Å; V31-C62 PolarHBondContact O-SG 3.26Å; V31-C62 VanDerWaalsContact O-SG 3.36Å; L42-C62 HydrophobicContact CB-CB 4.04Å; L42-C62 HydrophobicContact CD2-CB 3.99Å; L57-C62 HydrophobicContact CB-CB 4.22Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.45Å; L57-C62 PolarHBondContact O-N 2.91Å
63Q67.6Low72.2Confident149 Ų14971.4 Ų71.470%0.69638%0.377SS*.  trans-97.3147.3170.6-67.6-176.6-35.200109.3G61 D65G61-Q63 PolarHBondContact O-N 3.16Å; Q63-D65 PolarHBondContact O-N 3.43Å
64E65.1Low72.2Confident74 Ų7479.9 Ų79.935%0.34641%0.408SS..  trans-66.4102.3169.9-64.1175176.600108.7L42 L58 C66 F151 K152L42-E64 HydrophobicContact CD2-CG 4.23Å; L58-E64 HydrophobicContact CD2-CG 4.31Å; E64-C66 PolarHBondContact O-N 2.93Å; E64-F151 HydrophobicContact CB-CE2 4.48Å; E64-F151 HydrophobicContact CB-CZ 4.23Å; E64-F151 HydrophobicContact CG-CE2 4.44Å; E64-F151 WeakPolarHBondContact OE2-CE2 3.31Å; E64-K152 IonicContact OE2-NZ 3.24Å; E64-K152 PolarHBondContact OE2-NZ 2.79Å
65D57Low72.3Confident97 Ų9779.5 Ų79.552%0.51941%0.405SS..SBendtrans-67.6-20.5179.5-86.8-13.4000113Q63 Q67 K100Q63-D65 PolarHBondContact O-N 3.43Å; D65-Q67 VanDerWaalsContact C-N 3.25Å; D65-Q67 PolarHBondContact O-N 3.45Å; D65-K100 IonicContact OD2-NZ 3.52Å; D65-K100 PolarHBondContact OD2-NZ 2.69Å; D65-K100 VanDerWaalsContact OD2-NZ 3.09Å
66C54.6Low72.7Confident17 Ų1778.9 Ų78.912%0.11540%0.401CS..  trans-81.377.3175.6-133.10000109.3E64 S68 Y101 N150 F151 K152E64-C66 PolarHBondContact O-N 2.93Å; C66-S68 VanDerWaalsContact C-N 3.26Å; C66-Y101 HydrophobicContact CB-CD2 4.19Å; C66-Y101 HydrophobicContact CB-CE2 3.71Å; C66-N150 PolarHBondContact SG-ND2 3.34Å; C66-F151 HydrophobicContact CB-CE1 3.46Å; C66-F151 VanDerWaalsContact CB-CE1 3.46Å; C66-F151 HydrophobicContact CB-CZ 3.64Å; C66-K152 WeakPolarHBondContact O-CE 3.47Å; C66-K152 WeakPolarHBondContact O-CG 3.29Å
67Q54.2Low72.9Confident161 Ų16176 Ų7675%0.75239%0.387SS*.  trans-78.7-11.8176.7-64.6-154.74.100113.3D65D65-Q67 VanDerWaalsContact C-N 3.25Å; D65-Q67 PolarHBondContact O-N 3.45Å
68S63.9Low73.1Confident82 Ų8281 Ų8157%0.57341%0.41SS*.SBendtrans-124.9150.2-177.264.20000112.8C66 N150C66-S68 VanDerWaalsContact C-N 3.26Å; S68-N150 PolarHBondContact O-ND2 2.86Å
69V67.2Low73.3Confident61 Ų6179.4 Ų79.437%0.3740%0.403SS..PPolyproline II helixtrans-57.1146.9163.4176.20000109.4K152 F154V69-K152 HydrophobicContact CG2-CB 4.49Å; V69-F154 WeakPolarHBondContact CG1-O 3.25Å
70P70.8Confident73.4Confident14 Ų1472.2 Ų72.29%0.09139%0.39CS..PPolyproline II helixtrans-61.1158.5178.9-21.734.9000112.8A148 N150 S155P70-A148 HydrophobicContact CB-CB 3.75Å; P70-A148 WeakPolarHBondContact CD-O 3.41Å; P70-A148 HydrophobicContact CG-CB 4.35Å; P70-A148 WeakPolarHBondContact CG-O 3.33Å; P70-N150 HydrophobicContact CG-CB 3.96Å; P70-S155 WeakPolarHBondContact O-CB 3.45Å
71A74.1Confident73.4Confident85 Ų8569 Ų6970%0.70238%0.384SS*.PPolyproline II helixtrans-68.6156.5170.100000111.4
72Q76.8Confident74Confident104 Ų10467.8 Ų67.849%0.48637%0.369SS..PPolyproline II helixtrans-54.4129175.5-68-174.56.300111.1E156 A158Q72-E156 HydrophobicContact CG-CB 3.84Å; Q72-E156 VanDerWaalsContact NE2-CB 3.32Å; Q72-E156 PolarHBondContact NE2-OE2 2.92Å; Q72-A158 HydrophobicContact CB-CB 4.21Å
73P77.6Confident74.6Confident4 Ų469.5 Ų69.53%0.02638%0.381CS..PPolyproline II helixtrans-74.6142.1-179.828.4-33.1000111.8C75 A93 Y105 A146 A148 A158P73-C75 PolarHBondContact O-N 3.03Å; P73-C75 PolarHBondContact O-SG 2.77Å; P73-C75 VanDerWaalsContact O-SG 3.34Å; P73-A93 HydrophobicContact CB-CB 4.13Å; P73-Y105 HydrophobicContact CB-CE1 3.87Å; P73-Y105 HydrophobicContact CG-CD1 4.48Å; P73-Y105 HydrophobicContact CG-CE1 4.29Å; P73-A146 HydrophobicContact CG-CB 4.38Å; P73-A148 HydrophobicContact CB-CB 4.36Å; P73-A148 HydrophobicContact CG-CB 4.14Å; P73-A158 HydrophobicContact CG-CB 3.97Å; P73-A158 WeakPolarHBondContact O-CB 3.46Å
74R80.2Confident75.5Confident194 Ų19463.1 Ų63.173%0.73235%0.353SS*.PPolyproline II helixtrans-75.6117.1169.8-172.2175.2-176.7162.41.6109.3F89 G90R74-F89 CarbonylContact O-C 3.58Å; R74-F89 WeakPolarHBondContact O-CA 3.41Å; R74-G90 PolarHBondContact O-N 2.82Å
75C81.6Confident76.5Confident7 Ų759.6 Ų59.65%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-114.7132-175.5-58.10000111.2P73 W88 A160 N161P73-C75 PolarHBondContact O-N 3.03Å; P73-C75 PolarHBondContact O-SG 2.77Å; P73-C75 VanDerWaalsContact O-SG 3.34Å; C75-W88 CarbonylContact C-O 3.41Å; C75-W88 WeakPolarHBondContact CA-O 3.49Å; C75-A160 HydrophobicContact CB-CB 3.9Å; C75-A160 WeakPolarHBondContact O-CA 3.35Å; C75-N161 PolarHBondContact O-N 2.96Å
76F84.1Confident77.8Confident87 Ų8756 Ų5638%0.38232%0.318SS..EExtended strand (participates in β ladder)trans-121.2139.5172176.5-97.5000109.4Q78 I87 W88 N161F76-Q78 HydrophobicContact CE1-CB 4.08Å; F76-I87 CarbonylContact O-C 3.6Å; F76-I87 WeakPolarHBondContact O-CA 3.44Å; F76-W88 HydrophobicContact CB-CB 4.22Å; F76-W88 HydrophobicContact CD1-CB 4.44Å; F76-W88 AromaticContact CD1-CD1 3.96Å; F76-W88 HydrophobicContact CD1-CG 4.39Å; F76-W88 PolarHBondContact N-O 2.73Å; F76-W88 PolarHBondContact O-N 2.76Å; F76-N161 CarbonylContact C-O 3.41Å; F76-N161 VanDerWaalsContact CA-O 3.23Å; F76-N161 WeakPolarHBondContact CA-O 3.46Å; F76-N161 WeakPolarHBondContact CD2-O 3.4Å; F76-N161 WeakPolarHBondContact CE2-O 3.24Å; F76-N161 WeakPolarHBondContact CG-O 3.18Å
77M86.2Confident79.1Confident1 Ų155.2 Ų55.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-116.9148177.261.3163.281.600111.5V86 V144 A160 N161 P162 L165M77-V86 CarbonylContact C-O 3.6Å; M77-V86 WeakPolarHBondContact CA-O 2.77Å; M77-V144 HydrophobicContact CE-CB 3.58Å; M77-V144 HydrophobicContact CE-CG2 3.68Å; M77-A160 HydrophobicContact CB-CB 4.14Å; M77-A160 HydrophobicContact CE-CB 3.4Å; M77-A160 VanDerWaalsContact CE-CB 3.4Å; M77-A160 HydrophobicContact CG-CB 4.11Å; M77-N161 PolarHBondContact N-O 3.39Å; M77-P162 VanDerWaalsContact CE-O 3.28Å; M77-P162 WeakPolarHBondContact CE-O 3.46Å; M77-P162 HydrophobicContact CG-CG 4.16Å; M77-P162 VanDerWaalsContact CG-O 3.26Å; M77-P162 WeakPolarHBondContact CG-O 3.48Å; M77-P162 WeakPolarHBondContact O-CD 3.31Å; M77-L165 VanDerWaalsContact C-CD1 3.42Å; M77-L165 HydrophobicContact CB-CD1 3.94Å; M77-L165 HydrophobicContact CG-CD1 3.49Å; M77-L165 VanDerWaalsContact CG-CD1 3.49Å; M77-L165 HydrophobicContact CG-CG 3.87Å; M77-L165 WeakPolarHBondContact O-CD1 3.43Å; M77-L165 HydrophobicContact SD-CB 3.66Å; M77-L165 HydrophobicContact SD-CD1 3.72Å; M77-L165 HydrophobicContact SD-CG 3.52Å; M77-L165 VanDerWaalsContact SD-CG 3.52Å
78Q87.1Confident80.3Confident105 Ų10552.6 Ų52.649%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-143153.6175.2-163.5-176.6-56.100110.5F76 G80 L85 V86 L165F76-Q78 HydrophobicContact CE1-CB 4.08Å; Q78-G80 PolarHBondContact O-N 2.8Å; Q78-L85 CarbonylContact O-C 3.56Å; Q78-L85 WeakPolarHBondContact O-CA 3.25Å; Q78-V86 PolarHBondContact N-O 2.64Å; Q78-V86 PolarHBondContact O-N 3.14Å; Q78-L165 VanDerWaalsContact CA-CD1 3.44Å
79V85.8Confident80.9Confident43 Ų4349.1 Ų49.126%0.26127%0.271SS..EExtended strand (participates in β ladder)trans-67.2124168.7-177.60000110S81 L85 L165 T166 S168V79-S81 WeakPolarHBondContact CG1-O 3.36Å; V79-L85 HydrophobicContact CB-CD2 4.49Å; V79-L85 HydrophobicContact CG2-CD2 4.12Å; V79-L165 HydrophobicContact CG2-CD1 4.5Å; V79-T166 WeakPolarHBondContact CG2-O 3.39Å; V79-S168 WeakPolarHBondContact CG1-O 3.37Å
80G79.8Confident80.9Confident45 Ų4547.4 Ų47.446%0.46427%0.265SS..EExtended strand (participates in β ladder)trans-93.2-42.4173.900000112.3Q78 S84Q78-G80 PolarHBondContact O-N 2.8Å; G80-S84 PolarHBondContact N-O 2.78Å
81S82.2Confident80.2Confident48 Ų4852.8 Ų52.834%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-155.4-174178.476.60000111.8V79 S83 S84V79-S81 WeakPolarHBondContact CG1-O 3.36Å; S81-S83 PolarHBondContact O-N 3.08Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-N 2.88Å; S81-S83 VanDerWaalsContact OG-N 3.15Å; S81-S84 WeakPolarHBondContact CB-OG 3.21Å; S81-S84 PolarHBondContact N-O 3.25Å; S81-S84 VanDerWaalsContact N-O 3.12Å; S81-S84 PolarHBondContact N-OG 3.29Å; S81-S84 WeakPolarHBondContact OG-CB 3.48Å; S81-S84 PolarHBondContact OG-N 2.89Å; S81-S84 VanDerWaalsContact OG-N 3.14Å; S81-S84 PolarHBondContact OG-OG 3.45Å
82A84.3Confident79Confident32 Ų3255.4 Ų55.426%0.26430%0.295SS..THydrogen-bonded Turntrans-57.3-24.2171.900000113.2P138 P167 C169A82-P138 WeakPolarHBondContact O-CA 3.39Å; A82-P138 WeakPolarHBondContact O-CB 3.45Å; A82-P167 CarbonylContact O-C 3.51Å; A82-P167 WeakPolarHBondContact O-CB 3.49Å; A82-C169 HydrophobicContact CB-CB 3.93Å
83S86.2Confident77.5Confident50 Ų5050.9 Ų50.935%0.3528%0.275SS..THydrogen-bonded Turntrans-135.522.5-172.963.90000112.5S81 N135 L136S81-S83 PolarHBondContact O-N 3.08Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-N 2.88Å; S81-S83 VanDerWaalsContact OG-N 3.15Å; S83-N135 PolarHBondContact O-N 3.33Å; S83-L136 VanDerWaalsContact CA-O 3.27Å; S83-L136 WeakPolarHBondContact CA-O 3.14Å; S83-L136 WeakPolarHBondContact CB-O 3.32Å; S83-L136 PolarHBondContact O-N 3.44Å
84S86.4Confident75.9Confident14 Ų1453.2 Ų53.210%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-150.614717868.40000113.8G80 S81 I133G80-S84 PolarHBondContact N-O 2.78Å; S81-S84 WeakPolarHBondContact CB-OG 3.21Å; S81-S84 PolarHBondContact N-O 3.25Å; S81-S84 VanDerWaalsContact N-O 3.12Å; S81-S84 PolarHBondContact N-OG 3.29Å; S81-S84 WeakPolarHBondContact OG-CB 3.48Å; S81-S84 PolarHBondContact OG-N 2.89Å; S81-S84 VanDerWaalsContact OG-N 3.14Å; S81-S84 PolarHBondContact OG-OG 3.45Å; S84-I133 WeakPolarHBondContact CA-O 3.45Å; S84-I133 WeakPolarHBondContact CB-O 3.35Å
85L86.1Confident74Confident0 Ų046.1 Ų46.10%027%0.268CS..EExtended strand (participates in β ladder)trans-111.7151.7169.2-63.2-179.9000109.7Q78 V79 T132 I133 L136 Y142 L165 P167Q78-L85 CarbonylContact O-C 3.56Å; Q78-L85 WeakPolarHBondContact O-CA 3.25Å; V79-L85 HydrophobicContact CB-CD2 4.49Å; V79-L85 HydrophobicContact CG2-CD2 4.12Å; L85-T132 CarbonylContact O-C 3.49Å; L85-T132 WeakPolarHBondContact O-CA 3.47Å; L85-I133 PolarHBondContact N-O 3.19Å; L85-I133 PolarHBondContact O-N 3.33Å; L85-L136 HydrophobicContact CB-CD1 4.05Å; L85-L136 HydrophobicContact CD1-CD1 3.99Å; L85-L136 HydrophobicContact CG-CD1 3.66Å; L85-Y142 HydrophobicContact CD1-CG 4.5Å; L85-L165 HydrophobicContact CD1-CB 4.14Å; L85-L165 HydrophobicContact CD2-CB 3.86Å; L85-L165 HydrophobicContact CD2-CD1 4.46Å; L85-P167 HydrophobicContact CD2-CG 4.07Å; L85-P167 HydrophobicContact CG-CG 4.05Å
86V84.4Confident72.2Confident23 Ų2348.9 Ų48.914%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-115.6128.2173.2-176.80000107.9M77 Q78 W88 C130M77-V86 CarbonylContact C-O 3.6Å; M77-V86 WeakPolarHBondContact CA-O 2.77Å; Q78-V86 PolarHBondContact N-O 2.64Å; Q78-V86 PolarHBondContact O-N 3.14Å; V86-W88 HydrophobicContact CG1-CZ2 4.49Å; V86-C130 HydrophobicContact CG1-CB 4.12Å
87I82.1Confident70Confident0 Ų049.2 Ų49.20%030%0.295CS..EExtended strand (participates in β ladder)trans-105.2135.7175.5-58.1156.8000107.7F76 F89 R107 C130 A131 I133 V144F76-I87 CarbonylContact O-C 3.6Å; F76-I87 WeakPolarHBondContact O-CA 3.44Å; I87-F89 HydrophobicContact CG2-CE1 4.02Å; I87-F89 HydrophobicContact CG2-CZ 4.06Å; I87-R107 HydrophobicContact CD1-CG 4.45Å; I87-C130 CarbonylContact O-C 3.56Å; I87-C130 WeakPolarHBondContact O-CA 3.26Å; I87-C130 VanDerWaalsContact O-CB 3.27Å; I87-C130 WeakPolarHBondContact O-CB 3.29Å; I87-A131 PolarHBondContact N-O 3.48Å; I87-A131 PolarHBondContact O-N 3.15Å; I87-I133 HydrophobicContact CD1-CD1 3.37Å; I87-I133 HydrophobicContact CD1-CG1 3.76Å; I87-I133 HydrophobicContact CG1-CD1 4.12Å; I87-V144 HydrophobicContact CD1-CB 4.38Å; I87-V144 HydrophobicContact CD1-CG1 3.32Å; I87-V144 HydrophobicContact CD1-CG2 4.28Å; I87-V144 HydrophobicContact CG1-CG1 3.9Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å
88W80.1Confident67.8Low106 Ų10651.6 Ų51.640%0.40232%0.315SS..EExtended strand (participates in β ladder)trans-114.9139.1177.4-6683.2000109.3C75 F76 V86 P129 C130C75-W88 CarbonylContact C-O 3.41Å; C75-W88 WeakPolarHBondContact CA-O 3.49Å; F76-W88 HydrophobicContact CB-CB 4.22Å; F76-W88 HydrophobicContact CD1-CB 4.44Å; F76-W88 AromaticContact CD1-CD1 3.96Å; F76-W88 HydrophobicContact CD1-CG 4.39Å; F76-W88 PolarHBondContact N-O 2.73Å; F76-W88 PolarHBondContact O-N 2.76Å; V86-W88 HydrophobicContact CG1-CZ2 4.49Å; W88-P129 CarbonylContact C-O 3.56Å; W88-P129 WeakPolarHBondContact CA-O 3.41Å; W88-P129 HydrophobicContact CZ3-CG 4.41Å; W88-C130 HydrophobicContact CD2-CB 3.52Å; W88-C130 HydrophobicContact CE3-CB 3.51Å; W88-C130 HydrophobicContact CG-CB 4.03Å; W88-C130 HydrophobicContact CH2-CB 4.13Å; W88-C130 HydrophobicContact CZ2-CB 4.16Å; W88-C130 HydrophobicContact CZ3-CB 3.81Å
89F75.5Confident65.7Low9 Ų947.3 Ų47.34%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-108126.6175.2-55.5-70.7000108.5R74 I87 Y105 R107 P129 A146R74-F89 CarbonylContact O-C 3.58Å; R74-F89 WeakPolarHBondContact O-CA 3.41Å; I87-F89 HydrophobicContact CG2-CE1 4.02Å; I87-F89 HydrophobicContact CG2-CZ 4.06Å; F89-Y105 HydrophobicContact CB-CE2 4.17Å; F89-Y105 HydrophobicContact CD1-CD1 4.02Å; F89-Y105 HydrophobicContact CD1-CD2 4.39Å; F89-Y105 AromaticContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE2 4.27Å; F89-Y105 HydrophobicContact CD1-CG 4.26Å; F89-Y105 AromaticContact CD2-CD2 3.75Å; F89-Y105 HydrophobicContact CD2-CD2 3.75Å; F89-Y105 AromaticContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CG 4.32Å; F89-Y105 AromaticContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD2 4.28Å; F89-Y105 HydrophobicContact CE1-CE1 4.26Å; F89-Y105 AromaticContact CE1-CG 3.88Å; F89-Y105 HydrophobicContact CE1-CG 3.88Å; F89-Y105 AromaticContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CE2 4.07Å; F89-Y105 AromaticContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CG-CD1 4.48Å; F89-Y105 HydrophobicContact CG-CD2 4.12Å; F89-Y105 HydrophobicContact CG-CE1 4.21Å; F89-Y105 AromaticContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CG 4.46Å; F89-Y105 AromaticContact CG-CZ 3.84Å; F89-Y105 HydrophobicContact CZ-CD1 4.15Å; F89-Y105 AromaticContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CE2 4.49Å; F89-Y105 AromaticContact CZ-CG 3.68Å; F89-Y105 HydrophobicContact CZ-CG 3.68Å; F89-R107 HydrophobicContact CZ-CG 4.06Å; F89-P129 PolarHBondContact N-O 3.29Å; F89-A146 HydrophobicContact CE1-CB 3.73Å; F89-A146 HydrophobicContact CZ-CB 4.48Å
90G68.4Low63.5Low24 Ų2446.3 Ų46.325%0.24729%0.288CS..  trans-73.2154.2-179.900000113.1R74 N92 A93R74-G90 PolarHBondContact O-N 2.82Å; G90-N92 PolarHBondContact O-N 3.31Å; G90-A93 WeakPolarHBondContact O-CB 3.47Å; G90-A93 PolarHBondContact O-N 2.86Å
91D55.4Low61.5Low128 Ų12845 Ų4568%0.68427%0.269SS*.G310 helixtrans-53.5-27.4-174.3-67.7-22.2000115.4A93 L94 S95D91-A93 PolarHBondContact O-N 3.24Å; D91-L94 PolarHBondContact O-N 2.94Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 VanDerWaalsContact O-N 3.09Å
92N49Very low59.5Low139 Ų13948.9 Ų48.974%0.74328%0.28SS*.G310 helixtrans-58-20.6174.8-72.14.5000112.8G90G90-N92 PolarHBondContact O-N 3.31Å
93A46.2Very low57.7Low9 Ų947.5 Ų47.57%0.07427%0.268CS..G310 helixtrans-98-13.5176.500000113.9P73 G90 D91 T99 Y105P73-A93 HydrophobicContact CB-CB 4.13Å; G90-A93 WeakPolarHBondContact O-CB 3.47Å; G90-A93 PolarHBondContact O-N 2.86Å; D91-A93 PolarHBondContact O-N 3.24Å; A93-T99 PolarHBondContact O-OG1 2.89Å; A93-Y105 HydrophobicContact CB-CE1 4.43Å; A93-Y105 WeakPolarHBondContact CB-OH 3.22Å; A93-Y105 PolarHBondContact O-OH 3.06Å
94L42.2Very low56.2Low53 Ų5345.9 Ų45.928%0.27726%0.258SS..THydrogen-bonded Turntrans-95.1-8.9176.1-75.1152.9000112.8D91 P96 L126 P129D91-L94 PolarHBondContact O-N 2.94Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å; L94-L126 VanDerWaalsContact CD2-O 3.3Å; L94-L126 WeakPolarHBondContact CD2-O 3.43Å; L94-P129 HydrophobicContact CD1-CB 3.83Å
95S40.6Very low55Low45 Ų4545.4 Ų45.432%0.31525%0.254SS..  trans-56.5116.1170178.50000108.1D91 T97 A98 T99D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 VanDerWaalsContact O-N 3.09Å; S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.05Å; S95-A98 PolarHBondContact O-N 3.39Å; S95-T99 PolarHBondContact O-N 2.88Å; S95-T99 VanDerWaalsContact O-N 3.16Å; S95-T99 PolarHBondContact O-OG1 3.46Å
96P43.2Very low54.1Low65 Ų6547 Ų4742%0.42226%0.262SS..THydrogen-bonded Turntrans-58.9-18.9179.8-1018.5000111.6F39 L94 T99 K100F39-P96 HydrophobicContact CE1-CB 4.34Å; F39-P96 HydrophobicContact CE2-CB 4.13Å; F39-P96 HydrophobicContact CZ-CB 3.5Å; F39-P96 VanDerWaalsContact CZ-CB 3.5Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-T99 CarbonylContact O-C 3.55Å; P96-K100 WeakPolarHBondContact O-CA 3.31Å; P96-K100 PolarHBondContact O-N 2.71Å
97T38.7Very low53.2Low95 Ų9546 Ų4658%0.58326%0.256SS*.THydrogen-bonded Turntrans-78.1-28.4174.46.80000113.5S95S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.05Å
98A40.5Very low53Low51 Ų5146.9 Ų46.942%0.42126%0.26SS..THydrogen-bonded Turntrans-85.9-30.617800000112.4S95S95-A98 PolarHBondContact O-N 3.39Å
99T42.6Very low53Low15 Ų1542.9 Ų42.99%0.09224%0.244CC..SBendtrans-120.967173.339.30000108.8A93 S95 P96 Y101A93-T99 PolarHBondContact O-OG1 2.89Å; S95-T99 PolarHBondContact O-N 2.88Å; S95-T99 VanDerWaalsContact O-N 3.16Å; S95-T99 PolarHBondContact O-OG1 3.46Å; P96-T99 CarbonylContact O-C 3.55Å; T99-Y101 PolarHBondContact O-N 2.86Å; T99-Y101 VanDerWaalsContact O-O 3.11Å
100K40.2Very low53.3Low22 Ų2242.6 Ų42.610%0.09624%0.244CC..  trans-58.4-7.9-175.4-144.5-174.2-167.1-154.70115.7G38 F39 D43 D65 P96G38-K100 VanDerWaalsContact O-CE 3.24Å; G38-K100 WeakPolarHBondContact O-CE 3.3Å; F39-K100 HydrophobicContact CD1-CG 3.81Å; F39-K100 HydrophobicContact CE1-CG 3.89Å; F39-K100 WeakPolarHBondContact CE1-O 3.26Å; D43-K100 IonicContact OD1-NZ 3.36Å; D43-K100 WeakPolarHBondContact OD2-CD 3.25Å; D43-K100 WeakPolarHBondContact OD2-CE 3.42Å; D43-K100 IonicContact OD2-NZ 3.36Å; D43-K100 PolarHBondContact OD2-NZ 3.03Å; D65-K100 IonicContact OD2-NZ 3.52Å; D65-K100 PolarHBondContact OD2-NZ 2.69Å; D65-K100 VanDerWaalsContact OD2-NZ 3.09Å; P96-K100 WeakPolarHBondContact O-CA 3.31Å; P96-K100 PolarHBondContact O-N 2.71Å
101Y36.7Very low53.9Low16 Ų1644.5 Ų44.56%0.06325%0.251CS..SBendtrans-134.3165.4-177.5-66.9-94.8000108.6D43 T46 C66 T99 G103 F151D43-Y101 PolarHBondContact OD1-OH 3.02Å; T46-Y101 HydrophobicContact CG2-CD1 3.89Å; T46-Y101 HydrophobicContact CG2-CE1 3.84Å; C66-Y101 HydrophobicContact CB-CD2 4.19Å; C66-Y101 HydrophobicContact CB-CE2 3.71Å; T99-Y101 PolarHBondContact O-N 2.86Å; T99-Y101 VanDerWaalsContact O-O 3.11Å; Y101-G103 PolarHBondContact O-N 2.82Å; Y101-F151 AromaticContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CE1 4.17Å; Y101-F151 AromaticContact CD2-CD1 3.89Å; Y101-F151 HydrophobicContact CD2-CD1 3.89Å; Y101-F151 AromaticContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CE1-CD1 4.14Å; Y101-F151 AromaticContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE2-CD1 4.14Å; Y101-F151 AromaticContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CE1 3.43Å; Y101-F151 VanDerWaalsContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CZ 4.37Å; Y101-F151 AromaticContact CG-CD1 3.83Å; Y101-F151 HydrophobicContact CG-CD1 3.83Å; Y101-F151 AromaticContact CG-CE1 3.99Å; Y101-F151 HydrophobicContact CG-CE1 3.99Å; Y101-F151 AromaticContact CZ-CE1 3.54Å
102K40.4Very low55.2Low131 Ų13139.8 Ų39.857%0.5723%0.226SC*.  trans-41.491.4163.4-75.2179.2-179.9170.40109.1M47M47-K102 WeakPolarHBondContact O-CE 3.47Å
103G48.1Very low56.8Low2 Ų236.1 Ų36.12%0.02121%0.209CC..  trans-78.914418000000107.4Y101 L126 G149Y101-G103 PolarHBondContact O-N 2.82Å; G103-L126 WeakPolarHBondContact O-CD2 3.33Å; G103-L126 WeakPolarHBondContact O-CG 3.48Å; G103-G149 CarbonylContact C-O 3.42Å; G103-G149 WeakPolarHBondContact CA-O 3.34Å
104A53.4Low58.7Low17 Ų1741 Ų4114%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-104.8128.3171.700000107.9I122 I123 G149 F154A104-I122 HydrophobicContact CB-CG2 4.1Å; A104-I123 CarbonylContact C-O 3.46Å; A104-I123 WeakPolarHBondContact CA-O 3.39Å; A104-G149 PolarHBondContact N-O 2.94Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 WeakPolarHBondContact O-CA 3.43Å; A104-G149 PolarHBondContact O-N 3.12Å; A104-F154 HydrophobicContact CB-CE1 4.05Å; A104-F154 HydrophobicContact CB-CZ 4.31Å
105Y60.8Low60.7Low3 Ų339.4 Ų39.41%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-86.9109.1161.4-68.7-61.4000108P73 F89 A93 I123 L126 Y147 A148P73-Y105 HydrophobicContact CB-CE1 3.87Å; P73-Y105 HydrophobicContact CG-CD1 4.48Å; P73-Y105 HydrophobicContact CG-CE1 4.29Å; F89-Y105 HydrophobicContact CB-CE2 4.17Å; F89-Y105 HydrophobicContact CD1-CD1 4.02Å; F89-Y105 HydrophobicContact CD1-CD2 4.39Å; F89-Y105 AromaticContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE2 4.27Å; F89-Y105 HydrophobicContact CD1-CG 4.26Å; F89-Y105 AromaticContact CD2-CD2 3.75Å; F89-Y105 HydrophobicContact CD2-CD2 3.75Å; F89-Y105 AromaticContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CG 4.32Å; F89-Y105 AromaticContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD2 4.28Å; F89-Y105 HydrophobicContact CE1-CE1 4.26Å; F89-Y105 AromaticContact CE1-CG 3.88Å; F89-Y105 HydrophobicContact CE1-CG 3.88Å; F89-Y105 AromaticContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CE2 4.07Å; F89-Y105 AromaticContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CG-CD1 4.48Å; F89-Y105 HydrophobicContact CG-CD2 4.12Å; F89-Y105 HydrophobicContact CG-CE1 4.21Å; F89-Y105 AromaticContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CG 4.46Å; F89-Y105 AromaticContact CG-CZ 3.84Å; F89-Y105 HydrophobicContact CZ-CD1 4.15Å; F89-Y105 AromaticContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CE2 4.49Å; F89-Y105 AromaticContact CZ-CG 3.68Å; F89-Y105 HydrophobicContact CZ-CG 3.68Å; A93-Y105 HydrophobicContact CB-CE1 4.43Å; A93-Y105 WeakPolarHBondContact CB-OH 3.22Å; A93-Y105 PolarHBondContact O-OH 3.06Å; Y105-I123 PolarHBondContact N-O 3.17Å; Y105-I123 PolarHBondContact O-N 2.91Å; Y105-L126 HydrophobicContact CD2-CD2 3.56Å; Y105-L126 HydrophobicContact CE2-CD2 3.24Å; Y105-L126 HydrophobicContact CG-CD2 4.42Å; Y105-Y147 VanDerWaalsContact CA-O 3.31Å; Y105-Y147 WeakPolarHBondContact CA-O 3.44Å; Y105-A148 HydrophobicContact CE1-CB 4.27Å
106E67Low62.7Low34 Ų3446.7 Ų46.716%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-80.6126.8160.9-173178.7156.900107.7Q108 I122 A146 Y147 F154E106-Q108 HydrophobicContact CG-CG 4.42Å; E106-Q108 PolarHBondContact OE1-NE2 3.2Å; E106-I122 HydrophobicContact CB-CG1 4.37Å; E106-I122 HydrophobicContact CG-CG1 4.03Å; E106-A146 CarbonylContact O-C 3.5Å; E106-A146 VanDerWaalsContact O-CA 3.25Å; E106-A146 WeakPolarHBondContact O-CA 3.3Å; E106-Y147 HydrophobicContact CB-CD2 4.15Å; E106-Y147 HydrophobicContact CG-CD2 4.39Å; E106-Y147 PolarHBondContact N-O 3.32Å; E106-Y147 WeakPolarHBondContact O-CD2 3.21Å; E106-Y147 PolarHBondContact O-N 3.04Å; E106-F154 HydrophobicContact CB-CD1 4.16Å; E106-F154 HydrophobicContact CB-CE1 3.8Å; E106-F154 HydrophobicContact CB-CZ 4.37Å
107R66.8Low64.6Low3 Ų349 Ų491%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-116.9135.6176.1-61.5176.7-63.2159.45.6108.7I87 F89 T120 M121 I123 A131 T132 A146I87-R107 HydrophobicContact CD1-CG 4.45Å; F89-R107 HydrophobicContact CZ-CG 4.06Å; R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 3.46Å; R107-M121 PolarHBondContact N-O 3.46Å; R107-M121 PolarHBondContact NH2-SD 3.37Å; R107-M121 PolarHBondContact O-N 3.04Å; R107-I123 VanDerWaalsContact NE-CD1 3.26Å; R107-A131 PolarHBondContact NH1-O 2.93Å; R107-T132 PolarHBondContact NH1-O 2.99Å; R107-A146 HydrophobicContact CG-CB 4.33Å
108Q77.9Confident66.6Low17 Ų1747.3 Ų47.38%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-126.7133.2177.4-60.5-167.6-5.500108.3E106 I118 Q119 T120 V144 R145 Y147E106-Q108 HydrophobicContact CG-CG 4.42Å; E106-Q108 PolarHBondContact OE1-NE2 3.2Å; Q108-I118 HydrophobicContact CB-CG2 3.64Å; Q108-I118 HydrophobicContact CG-CG2 3.97Å; Q108-Q119 VanDerWaalsContact CA-O 3.32Å; Q108-Q119 WeakPolarHBondContact CA-O 3.31Å; Q108-T120 HydrophobicContact CG-CG2 3.91Å; Q108-V144 WeakPolarHBondContact O-CA 3.29Å; Q108-R145 HydrophobicContact CB-CG 3.8Å; Q108-R145 PolarHBondContact N-O 3.11Å; Q108-R145 PolarHBondContact O-N 3.33Å; Q108-Y147 HydrophobicContact CG-CE2 3.92Å
109W79.2Confident68.5Low22 Ų2250.2 Ų50.28%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-130.9148.3173.665.592.8000111.2Q119 M121 I133 Y142 Y143 V144W109-Q119 HydrophobicContact CD2-CB 3.97Å; W109-Q119 HydrophobicContact CG-CB 4.37Å; W109-Q119 HydrophobicContact CH2-CB 4.24Å; W109-Q119 HydrophobicContact CZ2-CB 3.54Å; W109-Q119 PolarHBondContact N-O 3.49Å; W109-Q119 PolarHBondContact O-N 3.3Å; W109-M121 HydrophobicContact CH2-CB 3.83Å; W109-M121 HydrophobicContact CZ3-CB 3.64Å; W109-I133 HydrophobicContact CB-CD1 4.16Å; W109-I133 HydrophobicContact CD2-CD1 4.11Å; W109-I133 HydrophobicContact CD2-CG1 4.47Å; W109-I133 HydrophobicContact CD2-CG2 3.76Å; W109-I133 HydrophobicContact CE3-CD1 4.1Å; W109-I133 HydrophobicContact CE3-CG1 4.27Å; W109-I133 HydrophobicContact CE3-CG2 4.17Å; W109-I133 HydrophobicContact CG-CD1 4.15Å; W109-I133 HydrophobicContact CG-CG2 4.25Å; W109-I133 HydrophobicContact CH2-CG2 4.25Å; W109-I133 HydrophobicContact CZ2-CG2 3.82Å; W109-I133 HydrophobicContact CZ3-CG2 4.4Å; W109-Y142 AromaticContact CD1-CD1 3.99Å; W109-Y143 WeakPolarHBondContact CA-O 3.28Å; W109-Y143 WeakPolarHBondContact CB-O 3.48Å; W109-V144 HydrophobicContact CB-CG2 4.09Å
110S82.1Confident70Confident4 Ų453.6 Ų53.63%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-148.6156.2-178.9-1720000109.9D112 D117 Y142 Y143S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact OG-N 3.03Å; S110-D112 PolarHBondContact OG-O 3.15Å; S110-D117 WeakPolarHBondContact CB-O 3.4Å; S110-D117 PolarHBondContact OG-O 3.22Å; S110-Y142 WeakPolarHBondContact O-CA 3.28Å; S110-Y143 PolarHBondContact N-O 3.14Å; S110-Y143 PolarHBondContact O-N 3.39Å
111T82Confident71.5Confident63 Ų6356.8 Ų56.839%0.38728%0.279SS..SBendtrans-81.1-11.1165.5530000112.3M140 N141 Y142T111-M140 HydrophobicContact CG2-CE 3.77Å; T111-N141 WeakPolarHBondContact CA-O 3.44Å; T111-Y142 HydrophobicContact CG2-CD1 4.03Å; T111-Y142 HydrophobicContact CG2-CE1 3.63Å
112D82.8Confident72.6Confident30 Ų3060.7 Ų60.716%0.1630%0.3CS..SBendtrans-99.6126.6178178.89.3000110.5S110 E114 F115 R116S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact OG-N 3.03Å; S110-D112 PolarHBondContact OG-O 3.15Å; D112-E114 PolarHBondContact O-N 3.22Å; D112-E114 PolarHBondContact OD1-N 2.85Å; D112-F115 PolarHBondContact O-N 3.18Å; D112-R116 WeakPolarHBondContact OD2-CB 3.4Å; D112-R116 WeakPolarHBondContact OD2-CD 3.3Å; D112-R116 WeakPolarHBondContact OD2-CG 3.25Å; D112-R116 PolarHBondContact OD2-N 3.18Å; D112-R116 IonicContact OD2-NE 3.39Å; D112-R116 PolarHBondContact OD2-NE 3.13Å
113P82.6Confident73.6Confident61 Ų6156 Ų5640%0.39628%0.281SS..THydrogen-bonded Turntrans-56.1-28.9173.922.1-34.4000114F115 Y143P113-F115 VanDerWaalsContact C-N 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3.34Å; P113-Y143 HydrophobicContact CB-CD1 4.09Å; P113-Y143 HydrophobicContact CB-CD2 4.43Å; P113-Y143 HydrophobicContact CB-CE1 3.7Å; P113-Y143 HydrophobicContact CB-CE2 4.11Å; P113-Y143 HydrophobicContact CB-CG 4.43Å; P113-Y143 HydrophobicContact CG-CE2 4.38Å
114E84.9Confident73.8Confident113 Ų11360.2 Ų60.253%0.52831%0.307SS..THydrogen-bonded Turntrans-85.30.1177.3-66.595.6-139.300113.8D112 R116D112-E114 PolarHBondContact O-N 3.22Å; D112-E114 PolarHBondContact OD1-N 2.85Å; E114-R116 HydrophobicContact CB-CG 4.28Å; E114-R116 PolarHBondContact O-N 3.12Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 2.8Å; E114-R116 PolarHBondContact OE2-NE 3.17Å; E114-R116 IonicContact OE2-NH2 2.74Å; E114-R116 PolarHBondContact OE2-NH2 3.28Å
115F84.2Confident73.9Confident19 Ų1963 Ų638%0.08332%0.319CS..  trans55.546.1-178.3-67.5-96.4000112.3D112 P113 I118 R145D112-F115 PolarHBondContact O-N 3.18Å; P113-F115 VanDerWaalsContact C-N 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3.34Å; F115-I118 HydrophobicContact CB-CD1 4.01Å; F115-I118 HydrophobicContact CB-CG1 3.83Å; F115-I118 HydrophobicContact CD1-CG1 4.48Å; F115-I118 WeakPolarHBondContact O-CD1 3.38Å; F115-I118 WeakPolarHBondContact O-CG1 3.44Å; F115-R145 HydrophobicContact CD1-CG 4.14Å; F115-R145 HydrophobicContact CE1-CB 4.22Å; F115-R145 HydrophobicContact CE1-CG 3.64Å; F115-R145 HydrophobicContact CE2-CB 4.42Å; F115-R145 HydrophobicContact CE2-CG 4.35Å; F115-R145 HydrophobicContact CZ-CB 3.85Å; F115-R145 HydrophobicContact CZ-CG 3.76Å
116R83.7Confident73.7Confident197 Ų19764.3 Ų64.374%0.74333%0.326SS*.SBendtrans-76-32174.6-61.2170-151.2-139.63.9113.1D112 E114D112-R116 WeakPolarHBondContact OD2-CB 3.4Å; D112-R116 WeakPolarHBondContact OD2-CD 3.3Å; D112-R116 WeakPolarHBondContact OD2-CG 3.25Å; D112-R116 PolarHBondContact OD2-N 3.18Å; D112-R116 IonicContact OD2-NE 3.39Å; D112-R116 PolarHBondContact OD2-NE 3.13Å; E114-R116 HydrophobicContact CB-CG 4.28Å; E114-R116 PolarHBondContact O-N 3.12Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 2.8Å; E114-R116 PolarHBondContact OE2-NE 3.17Å; E114-R116 IonicContact OE2-NH2 2.74Å; E114-R116 PolarHBondContact OE2-NH2 3.28Å
117D82.1Confident73Confident114 Ų11471 Ų7161%0.6136%0.358SS*.SBendtrans-115.599.2174.5-17722.4000109.6S110S110-D117 WeakPolarHBondContact CB-O 3.4Å; S110-D117 PolarHBondContact OG-O 3.22Å
118I81.9Confident72.5Confident60 Ų6075.8 Ų75.831%0.30838%0.38SS..  trans-107.7131.8-167.7-56.5168000110.6Q108 F115 T120 R145Q108-I118 HydrophobicContact CB-CG2 3.64Å; Q108-I118 HydrophobicContact CG-CG2 3.97Å; F115-I118 HydrophobicContact CB-CD1 4.01Å; F115-I118 HydrophobicContact CB-CG1 3.83Å; F115-I118 HydrophobicContact CD1-CG1 4.48Å; F115-I118 WeakPolarHBondContact O-CD1 3.38Å; F115-I118 WeakPolarHBondContact O-CG1 3.44Å; I118-T120 HydrophobicContact CG2-CG2 3.66Å; I118-R145 VanDerWaalsContact CD1-NH2 3.32Å
119Q80.3Confident72.1Confident111 Ų11177.5 Ų77.552%0.51939%0.392SS..EExtended strand (participates in β ladder)trans-100.9126.2160-64.9-171.7-19.800109.6Q108 W109Q108-Q119 VanDerWaalsContact CA-O 3.32Å; Q108-Q119 WeakPolarHBondContact CA-O 3.31Å; W109-Q119 HydrophobicContact CD2-CB 3.97Å; W109-Q119 HydrophobicContact CG-CB 4.37Å; W109-Q119 HydrophobicContact CH2-CB 4.24Å; W109-Q119 HydrophobicContact CZ2-CB 3.54Å; W109-Q119 PolarHBondContact N-O 3.49Å; W109-Q119 PolarHBondContact O-N 3.3Å
120T72.8Confident71.8Confident87 Ų8778 Ų7853%0.53440%0.399SS..EExtended strand (participates in β ladder)trans-112.2139.5-175.362.90000111.2R107 Q108 I118R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 3.46Å; Q108-T120 HydrophobicContact CG-CG2 3.91Å; I118-T120 HydrophobicContact CG2-CG2 3.66Å
121M71.6Confident71.4Confident88 Ų8878.3 Ų78.343%0.43340%0.402SS..EExtended strand (participates in β ladder)trans-141.7126.1168.4-170.8179-175.900110.3R107 W109R107-M121 PolarHBondContact N-O 3.46Å; R107-M121 PolarHBondContact NH2-SD 3.37Å; R107-M121 PolarHBondContact O-N 3.04Å; W109-M121 HydrophobicContact CH2-CB 3.83Å; W109-M121 HydrophobicContact CZ3-CB 3.64Å
122I60.5Low71.3Confident98 Ų9878.8 Ų78.850%0.50341%0.405SS..EExtended strand (participates in β ladder)trans-93.2125175.9-59.4170.6000108.6A104 E106 V124A104-I122 HydrophobicContact CB-CG2 4.1Å; E106-I122 HydrophobicContact CB-CG1 4.37Å; E106-I122 HydrophobicContact CG-CG1 4.03Å; I122-V124 HydrophobicContact CG2-CG2 4.47Å
123I61.2Low71.3Confident32 Ų3277.4 Ų77.416%0.16440%0.397CS..EExtended strand (participates in β ladder)trans-106.1129.6169.3-64.5176.8000108.4A104 Y105 R107 D125 A131A104-I123 CarbonylContact C-O 3.46Å; A104-I123 WeakPolarHBondContact CA-O 3.39Å; Y105-I123 PolarHBondContact N-O 3.17Å; Y105-I123 PolarHBondContact O-N 2.91Å; R107-I123 VanDerWaalsContact NE-CD1 3.26Å; I123-D125 HydrophobicContact CG2-CB 4.33Å; I123-D125 WeakPolarHBondContact CG2-O 3.49Å; I123-A131 HydrophobicContact CD1-CB 3.27Å
124V52.6Low71.5Confident92 Ų9277.7 Ų77.756%0.55840%0.399SS*.  trans-98.5-16.1176-173.80000111.9I122 L126I122-V124 HydrophobicContact CG2-CG2 4.47Å; V124-L126 PolarHBondContact O-N 3.01Å
125D54.7Low71.5Confident75 Ų7579.6 Ų79.640%0.40141%0.413SS..  trans-90.2103.4-178.2-1715.8000112.1I123 Q127I123-D125 HydrophobicContact CG2-CB 4.33Å; I123-D125 WeakPolarHBondContact CG2-O 3.49Å; D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; D125-Q127 PolarHBondContact OD1-N 2.84Å
126L56Low71.7Confident31 Ų3179 Ų7916%0.16241%0.41CS..THydrogen-bonded Turntrans-81.8-5.8174.6-64.8-178000113.9L94 G103 Y105 V124 Q128L94-L126 VanDerWaalsContact CD2-O 3.3Å; L94-L126 WeakPolarHBondContact CD2-O 3.43Å; G103-L126 WeakPolarHBondContact O-CD2 3.33Å; G103-L126 WeakPolarHBondContact O-CG 3.48Å; Y105-L126 HydrophobicContact CD2-CD2 3.56Å; Y105-L126 HydrophobicContact CE2-CD2 3.24Å; Y105-L126 HydrophobicContact CG-CD2 4.42Å; V124-L126 PolarHBondContact O-N 3.01Å; L126-Q128 PolarHBondContact O-N 3.06Å
127Q53.4Low71.8Confident175 Ų17572.7 Ų72.782%0.81840%0.396SS*.THydrogen-bonded Turntrans-67.7-20-179.1-63.5-169.7-8.200112.1D125D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; D125-Q127 PolarHBondContact OD1-N 2.84Å
128Q56.6Low72Confident102 Ų10270.5 Ų70.548%0.47739%0.388SS..  trans-97.8116.6177.7-58.8-168.64.500110.1L126 C130L126-Q128 PolarHBondContact O-N 3.06Å; Q128-C130 WeakPolarHBondContact CB-O 3.33Å; Q128-C130 PolarHBondContact O-N 3.44Å
129P68.2Low72Confident53 Ų5373 Ų7334%0.34440%0.402SS..SBendtrans-71.30.5177.232.6-37.6000112.2W88 F89 L94W88-P129 CarbonylContact C-O 3.56Å; W88-P129 WeakPolarHBondContact CA-O 3.41Å; W88-P129 HydrophobicContact CZ3-CG 4.41Å; F89-P129 PolarHBondContact N-O 3.29Å; L94-P129 HydrophobicContact CD1-CB 3.83Å
130C73.4Confident72.4Confident32 Ų3271.7 Ų71.722%0.21640%0.397CS..EExtended strand (participates in β ladder)trans-147.9160.618068.60000111.9V86 I87 W88 Q128V86-C130 HydrophobicContact CG1-CB 4.12Å; I87-C130 CarbonylContact O-C 3.56Å; I87-C130 WeakPolarHBondContact O-CA 3.26Å; I87-C130 VanDerWaalsContact O-CB 3.27Å; I87-C130 WeakPolarHBondContact O-CB 3.29Å; W88-C130 HydrophobicContact CD2-CB 3.52Å; W88-C130 HydrophobicContact CE3-CB 3.51Å; W88-C130 HydrophobicContact CG-CB 4.03Å; W88-C130 HydrophobicContact CH2-CB 4.13Å; W88-C130 HydrophobicContact CZ2-CB 4.16Å; W88-C130 HydrophobicContact CZ3-CB 3.81Å; Q128-C130 WeakPolarHBondContact CB-O 3.33Å; Q128-C130 PolarHBondContact O-N 3.44Å
131A73.7Confident73.2Confident11 Ų1171.1 Ų71.19%0.09139%0.391CS..EExtended strand (participates in β ladder)trans-150.7144.6177.300000111.5I87 R107 I123I87-A131 PolarHBondContact N-O 3.48Å; I87-A131 PolarHBondContact O-N 3.15Å; R107-A131 PolarHBondContact NH1-O 2.93Å; I123-A131 HydrophobicContact CD1-CB 3.27Å
132T80.5Confident74.2Confident74 Ų7467.8 Ų67.845%0.45437%0.373SS..EExtended strand (participates in β ladder)trans-91.9140.3-179.1-57.30000110.4L85 R107L85-T132 CarbonylContact O-C 3.49Å; L85-T132 WeakPolarHBondContact O-CA 3.47Å; R107-T132 PolarHBondContact NH1-O 2.99Å
133I83.3Confident75.5Confident1 Ų165.6 Ų65.61%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-101.1106.2164.4-55.6168.1000107S84 L85 I87 W109 L136 V144S84-I133 WeakPolarHBondContact CA-O 3.45Å; S84-I133 WeakPolarHBondContact CB-O 3.35Å; L85-I133 PolarHBondContact N-O 3.19Å; L85-I133 PolarHBondContact O-N 3.33Å; I87-I133 HydrophobicContact CD1-CD1 3.37Å; I87-I133 HydrophobicContact CD1-CG1 3.76Å; I87-I133 HydrophobicContact CG1-CD1 4.12Å; W109-I133 HydrophobicContact CB-CD1 4.16Å; W109-I133 HydrophobicContact CD2-CD1 4.11Å; W109-I133 HydrophobicContact CD2-CG1 4.47Å; W109-I133 HydrophobicContact CD2-CG2 3.76Å; W109-I133 HydrophobicContact CE3-CD1 4.1Å; W109-I133 HydrophobicContact CE3-CG1 4.27Å; W109-I133 HydrophobicContact CE3-CG2 4.17Å; W109-I133 HydrophobicContact CG-CD1 4.15Å; W109-I133 HydrophobicContact CG-CG2 4.25Å; W109-I133 HydrophobicContact CH2-CG2 4.25Å; W109-I133 HydrophobicContact CZ2-CG2 3.82Å; W109-I133 HydrophobicContact CZ3-CG2 4.4Å; I133-L136 HydrophobicContact CB-CD1 4.14Å; I133-L136 HydrophobicContact CG2-CD1 3.92Å; I133-L136 HydrophobicContact CG2-CD2 3.7Å; I133-L136 HydrophobicContact CG2-CG 3.92Å; I133-V144 HydrophobicContact CD1-CG2 3.87Å
134P86.3Confident76.8Confident67 Ų6764 Ų6444%0.43535%0.351SS..  trans-83.8174.4179.335.1-35.3000112.2L136P134-L136 VanDerWaalsContact C-N 3.3Å; P134-L136 PolarHBondContact O-N 3.3Å
135N85.1Confident78.4Confident152 Ų15262.3 Ų62.381%0.81334%0.335SS*.SBendtrans58.532.5168.6-54-30.7000115.5S83S83-N135 PolarHBondContact O-N 3.33Å
136L87.7Confident79.9Confident6 Ų658.7 Ų58.73%0.03132%0.315CS..PPolyproline II helixtrans-84.7150.1175-59.3179.7000111.2S83 L85 I133 P134 Y142 P167S83-L136 VanDerWaalsContact CA-O 3.27Å; S83-L136 WeakPolarHBondContact CA-O 3.14Å; S83-L136 WeakPolarHBondContact CB-O 3.32Å; S83-L136 PolarHBondContact O-N 3.44Å; L85-L136 HydrophobicContact CB-CD1 4.05Å; L85-L136 HydrophobicContact CD1-CD1 3.99Å; L85-L136 HydrophobicContact CG-CD1 3.66Å; I133-L136 HydrophobicContact CB-CD1 4.14Å; I133-L136 HydrophobicContact CG2-CD1 3.92Å; I133-L136 HydrophobicContact CG2-CD2 3.7Å; I133-L136 HydrophobicContact CG2-CG 3.92Å; P134-L136 VanDerWaalsContact C-N 3.3Å; P134-L136 PolarHBondContact O-N 3.3Å; L136-Y142 HydrophobicContact CB-CD2 4.45Å; L136-Y142 HydrophobicContact CB-CE2 3.82Å; L136-Y142 HydrophobicContact CD1-CD2 4.22Å; L136-Y142 HydrophobicContact CD1-CE2 4.38Å; L136-Y142 HydrophobicContact CD1-CG 4.36Å; L136-Y142 HydrophobicContact CD2-CD1 4.06Å; L136-Y142 HydrophobicContact CD2-CE1 3.68Å; L136-Y142 HydrophobicContact CD2-CE2 4.28Å; L136-Y142 HydrophobicContact CD2-CG 4.5Å; L136-Y142 HydrophobicContact CG-CE2 4.39Å; L136-P167 HydrophobicContact CB-CB 4.46Å; L136-P167 HydrophobicContact CB-CG 3.77Å; L136-P167 HydrophobicContact CD1-CG 3.88Å
137C87Confident81.1Confident65 Ų6558.8 Ų58.844%0.43931%0.314SS..PPolyproline II helixtrans-72.4131.5174.1-68.70000110.1M140 Y142C137-M140 HydrophobicContact CB-CB 4.39Å; C137-M140 HydrophobicContact CB-CG 3.97Å; C137-M140 HydrophobicContact CB-SD 3.45Å; C137-M140 WeakPolarHBondContact CB-SD 3.4Å; C137-Y142 PolarHBondContact N-OH 3.06Å
138P85.6Confident82.2Confident68 Ų6850.6 Ų50.644%0.44228%0.276SS..THydrogen-bonded Turntrans-62.5152.1173.226-32.8000110.6A82 M140 P167A82-P138 WeakPolarHBondContact O-CA 3.39Å; A82-P138 WeakPolarHBondContact O-CB 3.45Å; P138-M140 PolarHBondContact O-N 2.88Å; P138-M140 VanDerWaalsContact O-N 3.16Å; P138-P167 WeakPolarHBondContact CA-O 3.39Å
139N81.9Confident82.8Confident114 Ų11445.9 Ų45.961%0.6125%0.254SS*.THydrogen-bonded Turntrans62.117.4175-56.7-37.1000115.4P167N139-P167 PolarHBondContact N-O 3.39Å
140M87.6Confident82.7Confident82 Ų8244.3 Ų44.340%0.40424%0.243SC..  trans-110.1138.8172.4-66.5-170.672.600111.4T111 C137 P138 Y142 T166 P167T111-M140 HydrophobicContact CG2-CE 3.77Å; C137-M140 HydrophobicContact CB-CB 4.39Å; C137-M140 HydrophobicContact CB-CG 3.97Å; C137-M140 HydrophobicContact CB-SD 3.45Å; C137-M140 WeakPolarHBondContact CB-SD 3.4Å; P138-M140 PolarHBondContact O-N 2.88Å; P138-M140 VanDerWaalsContact O-N 3.16Å; M140-Y142 HydrophobicContact CB-CE2 3.85Å; M140-Y142 VanDerWaalsContact O-CD2 3.24Å; M140-Y142 WeakPolarHBondContact O-CD2 3.42Å; M140-T166 WeakPolarHBondContact O-CA 3.33Å; M140-T166 WeakPolarHBondContact O-CG2 3.42Å; M140-P167 WeakPolarHBondContact O-CD 3.39Å
141N90.8Very high82.2Confident76 Ų7647.1 Ų47.141%0.40625%0.252SS..  trans-75130.9175.9-70-19.2000110T111 Y143 C164 T166T111-N141 WeakPolarHBondContact CA-O 3.44Å; N141-Y143 HydrophobicContact CB-CE2 4.49Å; N141-C164 HydrophobicContact CB-CB 4.5Å; N141-T166 PolarHBondContact OD1-OG1 3.31Å
142Y91.3Very high81.7Confident17 Ų1751.1 Ų51.17%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-118133.9172.3-70.2-87.6000110.4L85 W109 S110 T111 L136 C137 M140 C164 L165 P167L85-Y142 HydrophobicContact CD1-CG 4.5Å; W109-Y142 AromaticContact CD1-CD1 3.99Å; S110-Y142 WeakPolarHBondContact O-CA 3.28Å; T111-Y142 HydrophobicContact CG2-CD1 4.03Å; T111-Y142 HydrophobicContact CG2-CE1 3.63Å; L136-Y142 HydrophobicContact CB-CD2 4.45Å; L136-Y142 HydrophobicContact CB-CE2 3.82Å; L136-Y142 HydrophobicContact CD1-CD2 4.22Å; L136-Y142 HydrophobicContact CD1-CE2 4.38Å; L136-Y142 HydrophobicContact CD1-CG 4.36Å; L136-Y142 HydrophobicContact CD2-CD1 4.06Å; L136-Y142 HydrophobicContact CD2-CE1 3.68Å; L136-Y142 HydrophobicContact CD2-CE2 4.28Å; L136-Y142 HydrophobicContact CD2-CG 4.5Å; L136-Y142 HydrophobicContact CG-CE2 4.39Å; C137-Y142 PolarHBondContact N-OH 3.06Å; M140-Y142 HydrophobicContact CB-CE2 3.85Å; M140-Y142 VanDerWaalsContact O-CD2 3.24Å; M140-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y142-C164 VanDerWaalsContact O-CA 3.23Å; Y142-C164 WeakPolarHBondContact O-CA 3.39Å; Y142-C164 WeakPolarHBondContact O-CB 3.38Å; Y142-L165 PolarHBondContact N-O 3.24Å; Y142-L165 PolarHBondContact O-N 3.15Å; Y142-P167 HydrophobicContact CD2-CG 3.76Å; Y142-P167 HydrophobicContact CE2-CG 3.85Å
143Y89.7Confident81.1Confident52 Ų5248.7 Ų48.720%0.20426%0.257CS..EExtended strand (participates in β ladder)trans-99.6139.1170.8-59.2-93.9000107.7W109 S110 P113 N141 L163 C164W109-Y143 WeakPolarHBondContact CA-O 3.28Å; W109-Y143 WeakPolarHBondContact CB-O 3.48Å; S110-Y143 PolarHBondContact N-O 3.14Å; S110-Y143 PolarHBondContact O-N 3.39Å; P113-Y143 HydrophobicContact CB-CD1 4.09Å; P113-Y143 HydrophobicContact CB-CD2 4.43Å; P113-Y143 HydrophobicContact CB-CE1 3.7Å; P113-Y143 HydrophobicContact CB-CE2 4.11Å; P113-Y143 HydrophobicContact CB-CG 4.43Å; P113-Y143 HydrophobicContact CG-CE2 4.38Å; N141-Y143 HydrophobicContact CB-CE2 4.49Å; Y143-L163 WeakPolarHBondContact CD1-O 3.5Å; Y143-C164 HydrophobicContact CD1-CB 3.78Å; Y143-C164 HydrophobicContact CE1-CB 3.58Å; Y143-C164 HydrophobicContact CE2-CB 4.31Å; Y143-C164 HydrophobicContact CG-CB 4.25Å
144V87.5Confident80.8Confident0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-129.2133.6179.4179.90000109M77 I87 Q108 W109 I133 A160M77-V144 HydrophobicContact CE-CB 3.58Å; M77-V144 HydrophobicContact CE-CG2 3.68Å; I87-V144 HydrophobicContact CD1-CB 4.38Å; I87-V144 HydrophobicContact CD1-CG1 3.32Å; I87-V144 HydrophobicContact CD1-CG2 4.28Å; I87-V144 HydrophobicContact CG1-CG1 3.9Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å; Q108-V144 WeakPolarHBondContact O-CA 3.29Å; W109-V144 HydrophobicContact CB-CG2 4.09Å; I133-V144 HydrophobicContact CD1-CG2 3.87Å; V144-A160 HydrophobicContact CB-CB 4.17Å; V144-A160 HydrophobicContact CG1-CB 4.48Å; V144-A160 PolarHBondContact O-N 2.99Å
145R86.4Confident80.5Confident55 Ų5550 Ų5021%0.20826%0.257CS..EExtended strand (participates in β ladder)trans-123.5148.616566.1-170.6-175.6-178.44.8110.5Q108 F115 I118 Y147 A157 A158Q108-R145 HydrophobicContact CB-CG 3.8Å; Q108-R145 PolarHBondContact N-O 3.11Å; Q108-R145 PolarHBondContact O-N 3.33Å; F115-R145 HydrophobicContact CD1-CG 4.14Å; F115-R145 HydrophobicContact CE1-CB 4.22Å; F115-R145 HydrophobicContact CE1-CG 3.64Å; F115-R145 HydrophobicContact CE2-CB 4.42Å; F115-R145 HydrophobicContact CE2-CG 4.35Å; F115-R145 HydrophobicContact CZ-CB 3.85Å; F115-R145 HydrophobicContact CZ-CG 3.76Å; I118-R145 VanDerWaalsContact CD1-NH2 3.32Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; R145-Y147 HydrophobicContact CG-CE2 3.93Å; R145-Y147 PolarHBondContact NE-OH 3.36Å; R145-Y147 PolarHBondContact NH2-OH 3.31Å; R145-A157 HydrophobicContact CB-CB 4.34Å; R145-A158 CarbonylContact C-O 3.44Å; R145-A158 WeakPolarHBondContact CA-O 3.33Å
146A85.2Confident80.4Confident0 Ų049.6 Ų49.60%025%0.25CS..EExtended strand (participates in β ladder)trans-131.7153.9175.800000111.8P73 F89 E106 R107 A158P73-A146 HydrophobicContact CG-CB 4.38Å; F89-A146 HydrophobicContact CE1-CB 3.73Å; F89-A146 HydrophobicContact CZ-CB 4.48Å; E106-A146 CarbonylContact O-C 3.5Å; E106-A146 VanDerWaalsContact O-CA 3.25Å; E106-A146 WeakPolarHBondContact O-CA 3.3Å; R107-A146 HydrophobicContact CG-CB 4.33Å; A146-A158 PolarHBondContact N-O 3.46Å; A146-A158 PolarHBondContact O-N 3.07Å
147Y81.4Confident80.2Confident33 Ų3351 Ų5113%0.12926%0.263CS..EExtended strand (participates in β ladder)trans-125.2136.6-177.9-56.4-101.8000108.4Y105 E106 Q108 R145 S155 A157Y105-Y147 VanDerWaalsContact CA-O 3.31Å; Y105-Y147 WeakPolarHBondContact CA-O 3.44Å; E106-Y147 HydrophobicContact CB-CD2 4.15Å; E106-Y147 HydrophobicContact CG-CD2 4.39Å; E106-Y147 PolarHBondContact N-O 3.32Å; E106-Y147 WeakPolarHBondContact O-CD2 3.21Å; E106-Y147 PolarHBondContact O-N 3.04Å; Q108-Y147 HydrophobicContact CG-CE2 3.92Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; R145-Y147 HydrophobicContact CG-CE2 3.93Å; R145-Y147 PolarHBondContact NE-OH 3.36Å; R145-Y147 PolarHBondContact NH2-OH 3.31Å; Y147-S155 VanDerWaalsContact CD1-O 3.31Å; Y147-S155 WeakPolarHBondContact CD1-O 3.45Å; Y147-A157 HydrophobicContact CD1-CB 4.24Å; Y147-A157 HydrophobicContact CE1-CB 3.49Å; Y147-A157 VanDerWaalsContact CE1-CB 3.49Å; Y147-A157 HydrophobicContact CE2-CB 4.33Å
148A77.9Confident80.1Confident3 Ų348.2 Ų48.23%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-93.2118.1170.200000108.7P70 P73 Y105 S155P70-A148 HydrophobicContact CB-CB 3.75Å; P70-A148 WeakPolarHBondContact CD-O 3.41Å; P70-A148 HydrophobicContact CG-CB 4.35Å; P70-A148 WeakPolarHBondContact CG-O 3.33Å; P73-A148 HydrophobicContact CB-CB 4.36Å; P73-A148 HydrophobicContact CG-CB 4.14Å; Y105-A148 HydrophobicContact CE1-CB 4.27Å; A148-S155 PolarHBondContact N-OG 3.01Å; A148-S155 WeakPolarHBondContact O-CB 3.42Å; A148-S155 PolarHBondContact O-N 3.28Å
149G68.9Low80.2Confident2 Ų248.7 Ų48.72%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-106.4147.8-17900000113G103 A104 G153 F154G103-G149 CarbonylContact C-O 3.42Å; G103-G149 WeakPolarHBondContact CA-O 3.34Å; A104-G149 PolarHBondContact N-O 2.94Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 WeakPolarHBondContact O-CA 3.43Å; A104-G149 PolarHBondContact O-N 3.12Å; G149-G153 CarbonylContact C-O 3.59Å; G149-G153 WeakPolarHBondContact CA-O 3.17Å; G149-F154 VanDerWaalsContact CA-CD1 3.45Å
150N66.1Low80.4Confident21 Ų2143.3 Ų43.311%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-134.3-170.3161.266.212.3000108.9C66 S68 P70 K152 G153C66-N150 PolarHBondContact SG-ND2 3.34Å; S68-N150 PolarHBondContact O-ND2 2.86Å; P70-N150 HydrophobicContact CG-CB 3.96Å; N150-K152 PolarHBondContact O-N 2.79Å; N150-K152 WeakPolarHBondContact OD1-CA 3.22Å; N150-K152 VanDerWaalsContact OD1-CB 3.29Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 PolarHBondContact OD1-N 2.87Å; N150-G153 PolarHBondContact N-O 2.82Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 VanDerWaalsContact O-N 3.17Å; N150-G153 PolarHBondContact OD1-N 3.23Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; N150-G153 PolarHBondContact OD1-O 3.25Å
151F62.3Low80.3Confident90 Ų9044.4 Ų44.440%0.39523%0.225SC..THydrogen-bonded Turntrans-66.5-17.1178.670.8-85.2000114.2E64 C66 Y101E64-F151 HydrophobicContact CB-CE2 4.48Å; E64-F151 HydrophobicContact CB-CZ 4.23Å; E64-F151 HydrophobicContact CG-CE2 4.44Å; E64-F151 WeakPolarHBondContact OE2-CE2 3.31Å; C66-F151 HydrophobicContact CB-CE1 3.46Å; C66-F151 VanDerWaalsContact CB-CE1 3.46Å; C66-F151 HydrophobicContact CB-CZ 3.64Å; Y101-F151 AromaticContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CE1 4.17Å; Y101-F151 AromaticContact CD2-CD1 3.89Å; Y101-F151 HydrophobicContact CD2-CD1 3.89Å; Y101-F151 AromaticContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CE1-CD1 4.14Å; Y101-F151 AromaticContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE2-CD1 4.14Å; Y101-F151 AromaticContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CE1 3.43Å; Y101-F151 VanDerWaalsContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CZ 4.37Å; Y101-F151 AromaticContact CG-CD1 3.83Å; Y101-F151 HydrophobicContact CG-CD1 3.83Å; Y101-F151 AromaticContact CG-CE1 3.99Å; Y101-F151 HydrophobicContact CG-CE1 3.99Å; Y101-F151 AromaticContact CZ-CE1 3.54Å
152K63.2Low80.3Confident96 Ų9642.9 Ų42.942%0.41722%0.219SC..THydrogen-bonded Turntrans-80.3-29.3173.1-66.7-62.3-174-167.70112.5E64 C66 V69 N150E64-K152 IonicContact OE2-NZ 3.24Å; E64-K152 PolarHBondContact OE2-NZ 2.79Å; C66-K152 WeakPolarHBondContact O-CE 3.47Å; C66-K152 WeakPolarHBondContact O-CG 3.29Å; V69-K152 HydrophobicContact CG2-CB 4.49Å; N150-K152 PolarHBondContact O-N 2.79Å; N150-K152 WeakPolarHBondContact OD1-CA 3.22Å; N150-K152 VanDerWaalsContact OD1-CB 3.29Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 PolarHBondContact OD1-N 2.87Å
153G67.1Low80.2Confident23 Ų2347.8 Ų47.824%0.23725%0.246CC..EExtended strand (participates in β ladder)trans148.9-167.6178.300000113G149 N150G149-G153 CarbonylContact C-O 3.59Å; G149-G153 WeakPolarHBondContact CA-O 3.17Å; N150-G153 PolarHBondContact N-O 2.82Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 VanDerWaalsContact O-N 3.17Å; N150-G153 PolarHBondContact OD1-N 3.23Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; N150-G153 PolarHBondContact OD1-O 3.25Å
154F77.7Confident80.3Confident86 Ų8647.3 Ų47.338%0.37725%0.25SC..EExtended strand (participates in β ladder)trans-101.6140.5-178.9-70.4-82.6000111.7V69 A104 E106 G149V69-F154 WeakPolarHBondContact CG1-O 3.25Å; A104-F154 HydrophobicContact CB-CE1 4.05Å; A104-F154 HydrophobicContact CB-CZ 4.31Å; E106-F154 HydrophobicContact CB-CD1 4.16Å; E106-F154 HydrophobicContact CB-CE1 3.8Å; E106-F154 HydrophobicContact CB-CZ 4.37Å; G149-F154 VanDerWaalsContact CA-CD1 3.45Å
155S79.3Confident80.4Confident10 Ų1048.9 Ų48.97%0.0726%0.258CS..  trans-56.4174.2173.473.20000111.6P70 Y147 A148P70-S155 WeakPolarHBondContact O-CB 3.45Å; Y147-S155 VanDerWaalsContact CD1-O 3.31Å; Y147-S155 WeakPolarHBondContact CD1-O 3.45Å; A148-S155 PolarHBondContact N-OG 3.01Å; A148-S155 WeakPolarHBondContact O-CB 3.42Å; A148-S155 PolarHBondContact O-N 3.28Å
156E83.4Confident80.6Confident142 Ų14248.2 Ų48.266%0.66426%0.26SS*.PPolyproline II helixtrans-62.5161.3160.2-68.9-175.4161.300111.3Q72 A158Q72-E156 HydrophobicContact CG-CB 3.84Å; Q72-E156 VanDerWaalsContact NE2-CB 3.32Å; Q72-E156 PolarHBondContact NE2-OE2 2.92Å; E156-A158 PolarHBondContact O-N 2.97Å
157A84.3Confident80.7Confident36 Ų3648.2 Ų48.230%0.29826%0.26SS..PPolyproline II helixtrans-70.5122.6-179.400000111.3R145 Y147R145-A157 HydrophobicContact CB-CB 4.34Å; Y147-A157 HydrophobicContact CD1-CB 4.24Å; Y147-A157 HydrophobicContact CE1-CB 3.49Å; Y147-A157 VanDerWaalsContact CE1-CB 3.49Å; Y147-A157 HydrophobicContact CE2-CB 4.33Å
158A84.6Confident80.7Confident7 Ų748.8 Ų48.86%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-95.3121.3168.700000110.5Q72 P73 R145 A146 E156Q72-A158 HydrophobicContact CB-CB 4.21Å; P73-A158 HydrophobicContact CG-CB 3.97Å; P73-A158 WeakPolarHBondContact O-CB 3.46Å; R145-A158 CarbonylContact C-O 3.44Å; R145-A158 WeakPolarHBondContact CA-O 3.33Å; A146-A158 PolarHBondContact N-O 3.46Å; A146-A158 PolarHBondContact O-N 3.07Å; E156-A158 PolarHBondContact O-N 2.97Å
159V86.8Confident80.6Confident78 Ų7850.4 Ų50.447%0.47328%0.28SS..EExtended strand (participates in β ladder)trans-78.2135.5174.5-172.80000109.4L163V159-L163 HydrophobicContact CG1-CD2 3.75Å
160A86.2Confident80.6Confident1 Ų159.5 Ų59.51%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-71.9151.1177.800000112.2C75 M77 V144 P162 L163C75-A160 HydrophobicContact CB-CB 3.9Å; C75-A160 WeakPolarHBondContact O-CA 3.35Å; M77-A160 HydrophobicContact CB-CB 4.14Å; M77-A160 HydrophobicContact CE-CB 3.4Å; M77-A160 VanDerWaalsContact CE-CB 3.4Å; M77-A160 HydrophobicContact CG-CB 4.11Å; V144-A160 HydrophobicContact CB-CB 4.17Å; V144-A160 HydrophobicContact CG1-CB 4.48Å; V144-A160 PolarHBondContact O-N 2.99Å; A160-P162 CarbonylContact C-O 3.5Å; A160-P162 CarbonylContact O-C 3.25Å; A160-P162 VanDerWaalsContact O-C 3.25Å; A160-L163 WeakPolarHBondContact O-CA 3.44Å
161N86.8Confident80.6Confident104 Ų10469.3 Ų69.356%0.55635%0.349SS*.EExtended strand (participates in β ladder)trans-107.3132173.1179.361.6000110.4C75 F76 M77C75-N161 PolarHBondContact O-N 2.96Å; F76-N161 CarbonylContact C-O 3.41Å; F76-N161 VanDerWaalsContact CA-O 3.23Å; F76-N161 WeakPolarHBondContact CA-O 3.46Å; F76-N161 WeakPolarHBondContact CD2-O 3.4Å; F76-N161 WeakPolarHBondContact CE2-O 3.24Å; F76-N161 WeakPolarHBondContact CG-O 3.18Å; M77-N161 PolarHBondContact N-O 3.39Å
162P91.1Very high80.8Confident44 Ų4469.4 Ų69.429%0.28635%0.353SS..EExtended strand (participates in β ladder)cis-62.8161.1-8.330.3-37.9000112.6M77 A160 C164 L165M77-P162 VanDerWaalsContact CE-O 3.28Å; M77-P162 WeakPolarHBondContact CE-O 3.46Å; M77-P162 HydrophobicContact CG-CG 4.16Å; M77-P162 VanDerWaalsContact CG-O 3.26Å; M77-P162 WeakPolarHBondContact CG-O 3.48Å; M77-P162 WeakPolarHBondContact O-CD 3.31Å; A160-P162 CarbonylContact C-O 3.5Å; A160-P162 CarbonylContact O-C 3.25Å; A160-P162 VanDerWaalsContact O-C 3.25Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 2.92Å; P162-L165 HydrophobicContact CG-CD1 4.07Å; P162-L165 HydrophobicContact CG-CD2 3.61Å; P162-L165 HydrophobicContact CG-CG 3.67Å
163L88.9Confident80.9Confident121 Ų12168.2 Ų68.263%0.63435%0.352SS*.EExtended strand (participates in β ladder)trans-59.2-33.5-172.3-69.2171.7000114.1Y143 V159 A160Y143-L163 WeakPolarHBondContact CD1-O 3.5Å; V159-L163 HydrophobicContact CG1-CD2 3.75Å; A160-L163 WeakPolarHBondContact O-CA 3.44Å
164C90.5Very high80.5Confident41 Ų4169.3 Ų69.328%0.27736%0.355SS..EExtended strand (participates in β ladder)trans-142.4153171.763.90000110.5N141 Y142 Y143 P162N141-C164 HydrophobicContact CB-CB 4.5Å; Y142-C164 VanDerWaalsContact O-CA 3.23Å; Y142-C164 WeakPolarHBondContact O-CA 3.39Å; Y142-C164 WeakPolarHBondContact O-CB 3.38Å; Y143-C164 HydrophobicContact CD1-CB 3.78Å; Y143-C164 HydrophobicContact CE1-CB 3.58Å; Y143-C164 HydrophobicContact CE2-CB 4.31Å; Y143-C164 HydrophobicContact CG-CB 4.25Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 2.92Å
165L90.6Very high79.5Confident34 Ų3468.8 Ų68.818%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-137.4150.6170.5-78.9178.9000111.3M77 Q78 V79 L85 Y142 P162M77-L165 VanDerWaalsContact C-CD1 3.42Å; M77-L165 HydrophobicContact CB-CD1 3.94Å; M77-L165 HydrophobicContact CG-CD1 3.49Å; M77-L165 VanDerWaalsContact CG-CD1 3.49Å; M77-L165 HydrophobicContact CG-CG 3.87Å; M77-L165 WeakPolarHBondContact O-CD1 3.43Å; M77-L165 HydrophobicContact SD-CB 3.66Å; M77-L165 HydrophobicContact SD-CD1 3.72Å; M77-L165 HydrophobicContact SD-CG 3.52Å; M77-L165 VanDerWaalsContact SD-CG 3.52Å; Q78-L165 VanDerWaalsContact CA-CD1 3.44Å; V79-L165 HydrophobicContact CG2-CD1 4.5Å; L85-L165 HydrophobicContact CD1-CB 4.14Å; L85-L165 HydrophobicContact CD2-CB 3.86Å; L85-L165 HydrophobicContact CD2-CD1 4.46Å; Y142-L165 PolarHBondContact N-O 3.24Å; Y142-L165 PolarHBondContact O-N 3.15Å; P162-L165 HydrophobicContact CG-CD1 4.07Å; P162-L165 HydrophobicContact CG-CD2 3.61Å; P162-L165 HydrophobicContact CG-CG 3.67Å
166T89.6Confident78.4Confident41 Ų4175.4 Ų75.425%0.25239%0.39SS..  trans-105.8115.6176.4-360000109.3V79 M140 N141 S168V79-T166 WeakPolarHBondContact CG2-O 3.39Å; M140-T166 WeakPolarHBondContact O-CA 3.33Å; M140-T166 WeakPolarHBondContact O-CG2 3.42Å; N141-T166 PolarHBondContact OD1-OG1 3.31Å; T166-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact O-N 3.13Å; T166-S168 PolarHBondContact O-OG 3.19Å
167P87.5Confident77.1Confident0 Ų075.9 Ų75.90%039%0.39CS..  trans-55.9120.3168.1-18.829.2000108.7A82 L85 L136 P138 N139 M140 Y142A82-P167 CarbonylContact O-C 3.51Å; A82-P167 WeakPolarHBondContact O-CB 3.49Å; L85-P167 HydrophobicContact CD2-CG 4.07Å; L85-P167 HydrophobicContact CG-CG 4.05Å; L136-P167 HydrophobicContact CB-CB 4.46Å; L136-P167 HydrophobicContact CB-CG 3.77Å; L136-P167 HydrophobicContact CD1-CG 3.88Å; P138-P167 WeakPolarHBondContact CA-O 3.39Å; N139-P167 PolarHBondContact N-O 3.39Å; M140-P167 WeakPolarHBondContact O-CD 3.39Å; Y142-P167 HydrophobicContact CD2-CG 3.76Å; Y142-P167 HydrophobicContact CE2-CG 3.85Å
168S81.9Confident75.7Confident44 Ų4477.3 Ų77.331%0.30839%0.39SS..  trans-154.1148.4-175.153.20000110.1V79 T166V79-S168 WeakPolarHBondContact CG1-O 3.37Å; T166-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact O-N 3.13Å; T166-S168 PolarHBondContact O-OG 3.19Å
169C76.2Confident74.2Confident38 Ų3881.6 Ų81.626%0.25742%0.417SS..  trans-112.1140.3168.7-168.30000109.7A82 R171 D172A82-C169 HydrophobicContact CB-CB 3.93Å; C169-R171 HydrophobicContact CB-CB 4.48Å; C169-R171 PolarHBondContact O-N 3.16Å; C169-D172 VanDerWaalsContact CB-OD2 3.28Å; C169-D172 WeakPolarHBondContact CB-OD2 3.47Å; C169-D172 PolarHBondContact N-OD2 3Å; C169-D172 PolarHBondContact O-N 3.18Å
170W68.2Low72.6Confident193 Ų19389 Ų8973%0.73144%0.437SS*.THydrogen-bonded Turntrans-54.8-19.9170-68.198.1000113.4L173 F178W170-L173 HydrophobicContact CD2-CD1 4.4Å; W170-L173 HydrophobicContact CE3-CD1 3.64Å; W170-L173 HydrophobicContact CZ3-CD1 4Å; W170-F178 HydrophobicContact CD2-CZ 4.41Å; W170-F178 AromaticContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE1 3.46Å; W170-F178 VanDerWaalsContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE2 4.01Å; W170-F178 AromaticContact CE3-CZ 3.11Å; W170-F178 HydrophobicContact CE3-CZ 3.11Å; W170-F178 AromaticContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE1 3.44Å; W170-F178 VanDerWaalsContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE2 4.46Å; W170-F178 AromaticContact CZ3-CZ 3.26Å; W170-F178 HydrophobicContact CZ3-CZ 3.26Å
171R66Low71Confident227 Ų22792.1 Ų92.186%0.85746%0.462SS*.THydrogen-bonded Turntrans-75-25.5175.3-63.5178.4-172.8-91.31.7113.6C169C169-R171 HydrophobicContact CB-CB 4.48Å; C169-R171 PolarHBondContact O-N 3.16Å
172D67.9Low69.4Low91 Ų9191 Ų9149%0.48747%0.467SS..THydrogen-bonded Turntrans-87.1-20.2-177.3-52.6-30.6000111.4C169 S174C169-D172 VanDerWaalsContact CB-OD2 3.28Å; C169-D172 WeakPolarHBondContact CB-OD2 3.47Å; C169-D172 PolarHBondContact N-OD2 3Å; C169-D172 PolarHBondContact O-N 3.18Å; D172-S174 PolarHBondContact O-N 3.02Å
173L63.3Low68.1Low72 Ų7292.3 Ų92.338%0.37747%0.472SS..SBendtrans-65.9133.5172.3-67.1177.2000109.5W170 F178W170-L173 HydrophobicContact CD2-CD1 4.4Å; W170-L173 HydrophobicContact CE3-CD1 3.64Å; W170-L173 HydrophobicContact CZ3-CD1 4Å; L173-F178 HydrophobicContact CB-CE2 3.65Å; L173-F178 HydrophobicContact CB-CZ 4.44Å; L173-F178 HydrophobicContact CD1-CE2 3.82Å; L173-F178 HydrophobicContact CD1-CZ 3.78Å; L173-F178 HydrophobicContact CG-CE2 4.41Å
174S60.3Low67.1Low45 Ų4592.1 Ų92.132%0.31547%0.471SS..  trans-57.3138.7-175.182.90000110.5D172 Q176 F177D172-S174 PolarHBondContact O-N 3.02Å; S174-Q176 PolarHBondContact O-N 2.75Å; S174-Q176 PolarHBondContact OG-OE1 3.05Å; S174-F177 PolarHBondContact O-N 3.29Å; S174-F177 WeakPolarHBondContact OG-CD2 3.41Å; S174-F177 WeakPolarHBondContact OG-CE2 3.49Å
175P55.5Low66.2Low76 Ų7697.5 Ų97.549%0.49449%0.492SS..G310 helixtrans-58.9-16.6-173.920.2-31000113.4F177 F178 A181P175-F177 PolarHBondContact O-N 3.42Å; P175-F178 CarbonylContact O-C 3.45Å; P175-F178 PolarHBondContact O-N 2.65Å; P175-F178 VanDerWaalsContact O-N 3.14Å; P175-A181 HydrophobicContact CB-CB 4.19Å
176Q57.6Low65.4Low148 Ų14898.5 Ų98.569%0.69250%0.5SS*.G310 helixtrans-63-27.4174.5-5980.211.800113S174 F178S174-Q176 PolarHBondContact O-N 2.75Å; S174-Q176 PolarHBondContact OG-OE1 3.05Å; Q176-F178 VanDerWaalsContact C-N 3.33Å
177F55.7Low64.7Low152 Ų15299.5 Ų99.567%0.66751%0.506SS*.G310 helixtrans-79.9-13.6175.8-67.4-75000113.4S174 P175S174-F177 PolarHBondContact O-N 3.29Å; S174-F177 WeakPolarHBondContact OG-CD2 3.41Å; S174-F177 WeakPolarHBondContact OG-CE2 3.49Å; P175-F177 PolarHBondContact O-N 3.42Å
178F54.8Low64.3Low66 Ų66103.5 Ų103.529%0.28953%0.528SS..  trans-12296176.4-57.4-74.3000110.6W170 L173 P175 Q176 R180 A181W170-F178 HydrophobicContact CD2-CZ 4.41Å; W170-F178 AromaticContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE1 3.46Å; W170-F178 VanDerWaalsContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE2 4.01Å; W170-F178 AromaticContact CE3-CZ 3.11Å; W170-F178 HydrophobicContact CE3-CZ 3.11Å; W170-F178 AromaticContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE1 3.44Å; W170-F178 VanDerWaalsContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE2 4.46Å; W170-F178 AromaticContact CZ3-CZ 3.26Å; W170-F178 HydrophobicContact CZ3-CZ 3.26Å; L173-F178 HydrophobicContact CB-CE2 3.65Å; L173-F178 HydrophobicContact CB-CZ 4.44Å; L173-F178 HydrophobicContact CD1-CE2 3.82Å; L173-F178 HydrophobicContact CD1-CZ 3.78Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; P175-F178 CarbonylContact O-C 3.45Å; P175-F178 PolarHBondContact O-N 2.65Å; P175-F178 VanDerWaalsContact O-N 3.14Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; F178-R180 PolarHBondContact O-N 3.37Å; F178-A181 PolarHBondContact O-N 3.28Å
179P52.2Low64.4Low97 Ų97105.1 Ų105.163%0.6354%0.536SS*.Hα-helixtrans-53.5-16.6173.2-24.632.2000114A181 N183P179-A181 PolarHBondContact O-N 2.92Å; P179-N183 PolarHBondContact O-N 3.33Å
180R53.8Low64.6Low234 Ų234108 Ų10888%0.88355%0.547SS*.Hα-helixtrans-63.8-33.9175.4-77.8-174.1179.6154.11.4113.9F178F178-R180 PolarHBondContact O-N 3.37Å
181A52.7Low65.2Low66 Ų66104.1 Ų104.155%0.54554%0.539SS..Hα-helixtrans-80.6-33.4179.800000112.1P175 F178 P179 N183P175-A181 HydrophobicContact CB-CB 4.19Å; F178-A181 PolarHBondContact O-N 3.28Å; P179-A181 PolarHBondContact O-N 2.92Å; A181-N183 PolarHBondContact O-N 3.48Å
182A53.9Low66Low80 Ų8097.1 Ų97.166%0.66152%0.518SS*.Hα-helixtrans-67.4-18.2176.900000113.1L184A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.21Å
183N62Low66.6Low73 Ų73100.6 Ų100.639%0.3953%0.525SS..THydrogen-bonded Turntrans-9337.1-175.4-114-4.5000113.2P179 A181 E185 T186 T187P179-N183 PolarHBondContact O-N 3.33Å; A181-N183 PolarHBondContact O-N 3.48Å; N183-E185 PolarHBondContact O-N 3.17Å; N183-T186 HydrophobicContact CB-CG2 4.47Å; N183-T186 WeakPolarHBondContact CB-OG1 3.29Å; N183-T186 VanDerWaalsContact CG-CG2 3.44Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.07Å; N183-T186 PolarHBondContact ND2-OG1 3.22Å; N183-T186 PolarHBondContact O-N 2.76Å; N183-T186 PolarHBondContact O-OG1 3.03Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.42Å; N183-T186 PolarHBondContact OD1-OG1 3.39Å; N183-T187 WeakPolarHBondContact O-CB 3.07Å; N183-T187 WeakPolarHBondContact O-CG2 3.47Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 3.25Å
184L68.7Low67.2Low116 Ų116100.6 Ų100.661%0.60753%0.528SS*.Hα-helixtrans-53-36.2168.6-176.662.3000110.6A182 T187 N188A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.21Å; L184-T187 VanDerWaalsContact C-OG1 3.31Å; L184-T187 VanDerWaalsContact CA-OG1 3.22Å; L184-T187 WeakPolarHBondContact CA-OG1 3.41Å; L184-T187 PolarHBondContact O-OG1 2.88Å; L184-N188 VanDerWaalsContact O-CB 3.31Å; L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.91Å; L184-N188 PolarHBondContact O-ND2 3.42Å; L184-N188 VanDerWaalsContact O-ND2 3.16Å
185E71.6Confident67.9Low154 Ų154103.8 Ų103.872%0.7254%0.536SS*.Hα-helixtrans-68.7-47.2177.1-162.9163.6-161.800112.6N183 T187 N188 V189N183-E185 PolarHBondContact O-N 3.17Å; E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.15Å; E185-N188 PolarHBondContact O-N 2.78Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.49Å; E185-V189 PolarHBondContact O-N 3.44Å
186T74.6Confident69Low56 Ų56106.9 Ų106.934%0.34454%0.541SS..Hα-helixtrans-69.4-32176.465.40000112.6N183 V189 L190N183-T186 HydrophobicContact CB-CG2 4.47Å; N183-T186 WeakPolarHBondContact CB-OG1 3.29Å; N183-T186 VanDerWaalsContact CG-CG2 3.44Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.07Å; N183-T186 PolarHBondContact ND2-OG1 3.22Å; N183-T186 PolarHBondContact O-N 2.76Å; N183-T186 PolarHBondContact O-OG1 3.03Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.42Å; N183-T186 PolarHBondContact OD1-OG1 3.39Å; T186-V189 PolarHBondContact O-N 2.79Å; T186-L190 VanDerWaalsContact O-CB 3.25Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.02Å
187T73.9Confident69.5Low61 Ų61104.6 Ų104.637%0.37453%0.534SS..Hα-helixtrans-66.7-40.4172.251.70000111N183 L184 E185 L190 M191N183-T187 WeakPolarHBondContact O-CB 3.07Å; N183-T187 WeakPolarHBondContact O-CG2 3.47Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 3.25Å; L184-T187 VanDerWaalsContact C-OG1 3.31Å; L184-T187 VanDerWaalsContact CA-OG1 3.22Å; L184-T187 WeakPolarHBondContact CA-OG1 3.41Å; L184-T187 PolarHBondContact O-OG1 2.88Å; E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.15Å; T187-L190 PolarHBondContact O-N 3.16Å; T187-M191 WeakPolarHBondContact O-CB 3.29Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.86Å
188N80.1Confident69.8Low85 Ų85102.7 Ų102.746%0.45553%0.527SS..Hα-helixtrans-62.4-45.4171.7-74.7-26.4000111.8L184 E185 L190 M191 D192L184-N188 VanDerWaalsContact O-CB 3.31Å; L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.91Å; L184-N188 PolarHBondContact O-ND2 3.42Å; L184-N188 VanDerWaalsContact O-ND2 3.16Å; E185-N188 PolarHBondContact O-N 2.78Å; N188-L190 VanDerWaalsContact C-N 3.32Å; N188-L190 PolarHBondContact O-N 3.33Å; N188-M191 PolarHBondContact O-N 2.85Å; N188-D192 WeakPolarHBondContact O-CB 3.29Å; N188-D192 PolarHBondContact O-N 3.31Å
189V84.1Confident69.9Low78 Ų78107.5 Ų107.547%0.47355%0.548SS..Hα-helixtrans-60.9-41175.1170.50000111.6E185 T186 R193E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.49Å; E185-V189 PolarHBondContact O-N 3.44Å; T186-V189 PolarHBondContact O-N 2.79Å; V189-R193 WeakPolarHBondContact O-CB 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.12Å
190L80.5Confident69.9Low97 Ų97108.6 Ų108.651%0.50855%0.548SS..Hα-helixtrans-66.5-43.4175.3-76.7166.2000111.3T186 T187 N188 D192 R193 V194T186-L190 VanDerWaalsContact O-CB 3.25Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.02Å; T187-L190 PolarHBondContact O-N 3.16Å; N188-L190 VanDerWaalsContact C-N 3.32Å; N188-L190 PolarHBondContact O-N 3.33Å; L190-D192 VanDerWaalsContact C-N 3.34Å; L190-R193 WeakPolarHBondContact O-CB 3.19Å; L190-R193 PolarHBondContact O-N 2.91Å; L190-V194 WeakPolarHBondContact O-CG2 3.28Å; L190-V194 PolarHBondContact O-N 3.36Å
191M80.3Confident69.6Low113 Ų113103.9 Ų103.956%0.55754%0.54SS*.Hα-helixtrans-64-39.5176.2-72.5-70.2-93.900111.3T187 N188 V194 K195T187-M191 WeakPolarHBondContact O-CB 3.29Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.86Å; N188-M191 PolarHBondContact O-N 2.85Å; M191-V194 PolarHBondContact O-N 3.43Å; M191-K195 WeakPolarHBondContact O-CB 3.13Å; M191-K195 VanDerWaalsContact O-CG 3.28Å; M191-K195 WeakPolarHBondContact O-CG 3.45Å; M191-K195 PolarHBondContact O-N 2.87Å
192D82.9Confident69.2Low79 Ų79108.1 Ų108.142%0.42255%0.547SS..Hα-helixtrans-69.9-34.7174.8-73.9-16.7000112N188 L190 K195 K196N188-D192 WeakPolarHBondContact O-CB 3.29Å; N188-D192 PolarHBondContact O-N 3.31Å; L190-D192 VanDerWaalsContact C-N 3.34Å; D192-K195 IonicContact OD1-NZ 2.86Å; D192-K196 WeakPolarHBondContact O-CB 3.1Å; D192-K196 VanDerWaalsContact O-CG 3.28Å; D192-K196 WeakPolarHBondContact O-CG 3.39Å; D192-K196 PolarHBondContact O-N 2.95Å
193R80.6Confident68.3Low165 Ų165108.9 Ų108.962%0.62355%0.548SS*.Hα-helixtrans-63.2-45.3168.9-86.8178.3157.7-177.2-4.5111.7V189 L190 K196 L197V189-R193 WeakPolarHBondContact O-CB 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.12Å; L190-R193 WeakPolarHBondContact O-CB 3.19Å; L190-R193 PolarHBondContact O-N 2.91Å; R193-K196 PolarHBondContact O-N 3.46Å; R193-L197 WeakPolarHBondContact O-CG 3.37Å; R193-L197 PolarHBondContact O-N 3.41Å
194V75.1Confident67.1Low71 Ų71114.3 Ų114.343%0.4356%0.564SS.*Hα-helixtrans-61.2-46.1175.9170.80000110.3L190 M191 K196 L197 E198L190-V194 WeakPolarHBondContact O-CG2 3.28Å; L190-V194 PolarHBondContact O-N 3.36Å; M191-V194 PolarHBondContact O-N 3.43Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.96Å; V194-L197 CarbonylContact O-C 3.54Å; V194-L197 PolarHBondContact O-N 2.96Å; V194-E198 HydrophobicContact CG1-CG 4.43Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.41Å; V194-E198 PolarHBondContact O-N 3.3Å
195K76Confident65.3Low113 Ų113112.8 Ų112.849%0.49156%0.563SS.*Hα-helixtrans-60.9-34.4174.9-72.7171.7-171.3165.90113.2M191 D192 K199M191-K195 WeakPolarHBondContact O-CB 3.13Å; M191-K195 VanDerWaalsContact O-CG 3.28Å; M191-K195 WeakPolarHBondContact O-CG 3.45Å; M191-K195 PolarHBondContact O-N 2.87Å; D192-K195 IonicContact OD1-NZ 2.86Å; K195-K199 WeakPolarHBondContact O-CG 3.3Å; K195-K199 PolarHBondContact O-N 3.23Å; K195-K199 VanDerWaalsContact O-N 3.15Å
196K77.4Confident63.3Low140 Ų140110.2 Ų110.261%0.60956%0.562SS**Hα-helixtrans-69.5-47.1174.2-77.3175.7-178.2-177.50111D192 R193 V194 E198 K199 D200D192-K196 WeakPolarHBondContact O-CB 3.1Å; D192-K196 VanDerWaalsContact O-CG 3.28Å; D192-K196 WeakPolarHBondContact O-CG 3.39Å; D192-K196 PolarHBondContact O-N 2.95Å; R193-K196 PolarHBondContact O-N 3.46Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.96Å; K196-E198 VanDerWaalsContact C-N 3.29Å; K196-E198 PolarHBondContact O-N 3.21Å; K196-K199 WeakPolarHBondContact O-CA 3.4Å; K196-K199 WeakPolarHBondContact O-CB 3.21Å; K196-K199 PolarHBondContact O-N 2.96Å; K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 3.1Å
197L68.3Low61.4Low101 Ų101113.3 Ų113.353%0.52958%0.575SS.*Hα-helixtrans-60.6-38.4174.5-69.1171.5000111.8R193 V194 K199 D200 D201R193-L197 WeakPolarHBondContact O-CG 3.37Å; R193-L197 PolarHBondContact O-N 3.41Å; V194-L197 CarbonylContact O-C 3.54Å; V194-L197 PolarHBondContact O-N 2.96Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3.49Å; L197-D200 PolarHBondContact O-N 3.15Å; L197-D201 WeakPolarHBondContact O-CB 3.36Å; L197-D201 PolarHBondContact O-N 3.41Å
198E62.1Low59.2Low111 Ų111117.8 Ų117.852%0.51959%0.592SS.*Hα-helixtrans-60.8-40.7172.4-77.4179.1163.200111.5V194 K196 F202V194-E198 HydrophobicContact CG1-CG 4.43Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.41Å; V194-E198 PolarHBondContact O-N 3.3Å; K196-E198 VanDerWaalsContact C-N 3.29Å; K196-E198 PolarHBondContact O-N 3.21Å; E198-F202 WeakPolarHBondContact O-CB 3.3Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 3.34Å
199K58Low57Low168 Ų168118.3 Ų118.373%0.7361%0.608SS**Hα-helixtrans-69.4-35.3175.4-76.1-177.9178.3-176.40112.9K195 K196 L197K195-K199 WeakPolarHBondContact O-CG 3.3Å; K195-K199 PolarHBondContact O-N 3.23Å; K195-K199 VanDerWaalsContact O-N 3.15Å; K196-K199 WeakPolarHBondContact O-CA 3.4Å; K196-K199 WeakPolarHBondContact O-CB 3.21Å; K196-K199 PolarHBondContact O-N 2.96Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3.49Å
200D52.1Low54.2Low119 Ų119123 Ų12364%0.63662%0.624SS**Hα-helixtrans-80.9-38.7-175.7-65.1-19.8000111.9K196 L197K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 3.1Å; L197-D200 PolarHBondContact O-N 3.15Å
201D47.3Very low51.9Low136 Ų136122.1 Ų122.173%0.72764%0.639SS**Hα-helixtrans-82.9-24176.5-77.6-24.9000113L197L197-D201 WeakPolarHBondContact O-CB 3.36Å; L197-D201 PolarHBondContact O-N 3.41Å
202F44.8Very low49.7Very low154 Ų154120.9 Ų120.968%0.67565%0.647SS**THydrogen-bonded Turntrans-97.835.7173.1-73.3-97.9000113.8E198 Y204E198-F202 WeakPolarHBondContact O-CB 3.3Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 3.34Å; F202-Y204 PolarHBondContact O-N 3.07Å
203S33.1Very low47.3Very low97 Ų97123.4 Ų123.468%0.67867%0.671SS**  trans-66.164.7151171.80000109.6S205S203-S205 PolarHBondContact O-N 3.43Å
204Y37.2Very low45.1Very low187 Ų187122.3 Ų122.373%0.73367%0.673SS**  trans-67.197155.8-153.6-96.9000104.4F202 S206 I207F202-Y204 PolarHBondContact O-N 3.07Å; Y204-S206 PolarHBondContact O-N 3.23Å; Y204-I207 HydrophobicContact CE1-CD1 4.48Å
205S30.9Very low43.1Very low83 Ų83128.5 Ų128.558%0.5869%0.694SS**  trans-44121.3164.147.70000106.5S203 I207S203-S205 PolarHBondContact O-N 3.43Å; S205-I207 PolarHBondContact O-N 2.95Å
206S29.8Very low40.8Very low100 Ų100134.7 Ų134.770%0.69971%0.714SS**  trans-50.290171.347.40000108.6Y204 Q208Y204-S206 PolarHBondContact O-N 3.23Å; S206-Q208 PolarHBondContact O-N 2.93Å
207I34.4Very low38.8Very low122 Ų122138.7 Ų138.763%0.62673%0.725SS**  trans-71.294.4161.1-62.2176.7000103Y204 S205 A209Y204-I207 HydrophobicContact CE1-CD1 4.48Å; S205-I207 PolarHBondContact O-N 2.95Å; I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 2.91Å
208Q27.5Very low37.2Very low155 Ų155142.5 Ų142.572%0.72474%0.738SS**  trans-50.7101.4165.6-67176.5-0.900106.6S206 E210S206-Q208 PolarHBondContact O-N 2.93Å; Q208-E210 PolarHBondContact O-N 3.26Å
209A34.5Very low36.2Very low96 Ų96143.6 Ų143.679%0.79375%0.746SS**  trans-7568.4170.200000107.8I207 G211I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 2.91Å; A209-G211 PolarHBondContact O-N 3.49Å
210E26.4Very low35.4Very low175 Ų175138.1 Ų138.182%0.81873%0.729SS**  trans-72.8117.9160.8-77.1-161.3150.600108.1Q208Q208-E210 PolarHBondContact O-N 3.26Å
211G32.1Very low35.3Very low80 Ų80133.8 Ų133.883%0.82571%0.706SS**  trans87.960.116300000116.3A209A209-G211 PolarHBondContact O-N 3.49Å
212A34.2Very low35.1Very low87 Ų87133.6 Ų133.672%0.71970%0.699SS**  trans-130.967.8154.300000110.3E214A212-E214 PolarHBondContact O-N 3.23Å
213S31.8Very low35.1Very low132 Ų132130.9 Ų130.992%0.92369%0.691SS**  trans-72.366.2156.9-77.40000109.1
214E34.6Very low35.8Very low141 Ų141128.7 Ų128.766%0.65967%0.672SS**  trans-122.1117.9167.3-77.8-172.2163.200109A212 R216A212-E214 PolarHBondContact O-N 3.23Å; E214-R216 PolarHBondContact O-N 3.38Å
215K31.7Very low36.2Very low201 Ų201122.2 Ų122.287%0.87465%0.649SS**  trans-24.7105.8179-67.2171.7-179.8174.20111.3R217K215-R217 VanDerWaalsContact C-N 3.25Å; K215-R217 PolarHBondContact O-N 3.23Å
216R29.3Very low37Very low244 Ų244119.8 Ų119.892%0.92163%0.63SS**  trans-46.188.1169.8-153177.8-163170.84.4108.6E214 K218E214-R216 PolarHBondContact O-N 3.38Å; R216-K218 PolarHBondContact O-N 3.21Å
217R33.8Very low37.5Very low224 Ų224119.3 Ų119.385%0.84562%0.623SS**  trans-67.5103.7175-75.7-175.1178.11600.6104.7K215 L219K215-R217 VanDerWaalsContact C-N 3.25Å; K215-R217 PolarHBondContact O-N 3.23Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.22Å
218K34.7Very low37.5Very low180 Ų180119.7 Ų119.778%0.78363%0.626SS**  trans-58.297.9173.1-66.2175.7-177.6172.70106.2R216 S220R216-K218 PolarHBondContact O-N 3.21Å; K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 3.19Å
219L41.3Very low38Very low134 Ų134119.9 Ų119.970%0.70263%0.632SS**  trans-65.1100.5174.7-64.4174.6000106.1R217 L221R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.22Å; L219-L221 PolarHBondContact O-N 2.83Å
220S42.3Very low38.2Very low53 Ų53125.8 Ų125.837%0.37163%0.634SS.*  trans-61.2132.6168.3-175.20000106.9K218 K222 N223K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 3.19Å; S220-K222 PolarHBondContact O-N 2.92Å; S220-K222 WeakPolarHBondContact OG-CG 3.32Å; S220-N223 PolarHBondContact O-N 3.23Å
221L48.7Very low38.9Very low29 Ų29120.4 Ų120.415%0.15261%0.61CS.*G310 helixtrans-49-23.3174.3-76177.1000112.7L219 N223 L224 D336 N340 V342L219-L221 PolarHBondContact O-N 2.83Å; L221-N223 PolarHBondContact O-N 3.03Å; L221-N223 VanDerWaalsContact O-N 3.13Å; L221-L224 HydrophobicContact CD2-CD1 4.01Å; L221-L224 PolarHBondContact O-N 3.23Å; L221-D336 HydrophobicContact CD1-CB 3.41Å; L221-D336 VanDerWaalsContact CD1-CB 3.41Å; L221-D336 HydrophobicContact CG-CB 4.24Å; L221-N340 HydrophobicContact CD1-CB 3.88Å; L221-V342 HydrophobicContact CD1-CG2 4.3Å; L221-V342 HydrophobicContact CD2-CG2 3.86Å
222K43.1Very low39.3Very low131 Ų131124.1 Ų124.157%0.5761%0.606SS**G310 helixtrans-53.7-26173-63.4-176.2178.1-169.40114.1S220 N235S220-K222 PolarHBondContact O-N 2.92Å; S220-K222 WeakPolarHBondContact OG-CG 3.32Å; K222-N235 PolarHBondContact NZ-OD1 2.94Å
223N46.5Very low39.5Very low98 Ų98130.4 Ų130.452%0.52462%0.617SS.*G310 helixtrans-87.2-4.6-179.2-63.1-3.4000113.3S220 L221S220-N223 PolarHBondContact O-N 3.23Å; L221-N223 PolarHBondContact O-N 3.03Å; L221-N223 VanDerWaalsContact O-N 3.13Å
224L47.8Very low40Very low51 Ų51126.1 Ų126.127%0.26759%0.594SS.*G310 helixtrans-100.7-4.3-178.2-63.3179.1000113.4L221 I259 V261L221-L224 HydrophobicContact CD2-CD1 4.01Å; L221-L224 PolarHBondContact O-N 3.23Å; L224-I259 HydrophobicContact CD2-CB 4.24Å; L224-I259 HydrophobicContact CD2-CD1 3.75Å; L224-I259 HydrophobicContact CD2-CG1 3.94Å; L224-V261 HydrophobicContact CB-CG2 4.42Å; L224-V261 WeakPolarHBondContact O-CG2 3.38Å
225L44.2Very low40.4Very low50 Ų50126 Ų12626%0.26260%0.598SS.*  trans-102.3105.9-167.1-63.9174.7000112.5T227 Y240 Q258 V261L225-T227 PolarHBondContact O-N 3.39Å; L225-Y240 HydrophobicContact CD1-CE1 4.31Å; L225-Y240 HydrophobicContact CD2-CD1 3.79Å; L225-Y240 HydrophobicContact CD2-CE1 4.01Å; L225-Y240 HydrophobicContact CD2-CG 4.46Å; L225-Q258 VanDerWaalsContact N-OE1 3.14Å; L225-Q258 PolarHBondContact O-OE1 3.21Å; L225-V261 HydrophobicContact CD2-CB 3.83Å; L225-V261 HydrophobicContact CD2-CG1 3.41Å; L225-V261 VanDerWaalsContact CD2-CG1 3.41Å; L225-V261 HydrophobicContact CD2-CG2 4.4Å
226L49.2Very low41.6Very low32 Ų32123.3 Ų123.317%0.16859%0.586CS.*  trans-47.3128.1166.2-85.1175.3000111.9D228 T254 P260L226-D228 PolarHBondContact O-N 3.28Å; L226-T254 HydrophobicContact CD1-CG2 3.74Å; L226-T254 HydrophobicContact CD2-CG2 3.57Å; L226-T254 HydrophobicContact CG-CG2 3.86Å; L226-P260 HydrophobicContact CD1-CB 4.15Å
227T38.7Very low43.5Very low91 Ų91113.2 Ų113.256%0.55855%0.553SS**  trans-89.181.2174.81.90000110.3L225 E256L225-T227 PolarHBondContact O-N 3.39Å; T227-E256 PolarHBondContact OG1-OE2 3.05Å
228D35.6Very low45.7Very low130 Ų130102.6 Ų102.670%0.69551%0.513SS*.  trans-92.5144.1148.5-153.8-16.2000107.9L226 R230 L231L226-D228 PolarHBondContact O-N 3.28Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-L231 PolarHBondContact O-N 3.37Å
229N36.7Very low48.2Very low158 Ų15894.2 Ų94.285%0.84548%0.476SS*.THydrogen-bonded Turntrans-65.433.9-164.1-81.4-34.1000115.5
230R39.4Very low50.3Low221 Ų22189.2 Ų89.283%0.83445%0.448SS*.THydrogen-bonded Turntrans-125.75.9172-60-168.8-174.1-139.32.7114D228D228-R230 PolarHBondContact O-N 3.22Å
231L41.4Very low52.6Low61 Ų6186.7 Ų86.732%0.31943%0.431SS..  trans-103113.5174.6-76.4162.6000112.2D228 K233 L263D228-L231 PolarHBondContact O-N 3.37Å; L231-K233 PolarHBondContact O-N 3.05Å; L231-L263 HydrophobicContact CD2-CB 3.68Å; L231-L263 HydrophobicContact CD2-CD2 3.72Å; L231-L263 HydrophobicContact CD2-CG 4.25Å
232H40.2Very low54.4Low159 Ų15985.5 Ų85.574%0.73643%0.426SS*.  trans-62.8128.7-180-62.751.9000108.8G234H232-G234 PolarHBondContact O-N 3.42Å
233K38.7Very low56.5Low219 Ų21979.3 Ų79.395%0.95240%0.398SS*.  trans-62.619.4170.4-74.4-179.8173.91760114.3L231L231-K233 PolarHBondContact O-N 3.05Å
234G43Very low58.3Low42 Ų4275.9 Ų75.943%0.43338%0.381SS..SBendtrans-93.5138.9-174.400000112.4H232 K236H232-G234 PolarHBondContact O-N 3.42Å; G234-K236 PolarHBondContact O-N 3.29Å
235N43Very low60Low138 Ų13873.9 Ų73.974%0.73837%0.371SS*.  trans-65.843.2173.9-58.6-46.3000113.4K222K222-N235 PolarHBondContact NZ-OD1 2.94Å
236K55.6Low61.7Low145 Ų14575.5 Ų75.563%0.6337%0.374SS*.  trans-86.4131.7-178.1-67.4-172.1177.4-176.30109.8G234 G238 N340G234-K236 PolarHBondContact O-N 3.29Å; K236-G238 PolarHBondContact O-N 2.97Å; K236-N340 PolarHBondContact O-OD1 2.85Å
237S70.3Confident63.2Low32 Ų3280.3 Ų80.322%0.22439%0.39CS..  trans-52.1132.6169.3176.90000109.3N340S237-N340 WeakPolarHBondContact CA-OD1 3.2Å
238G79.5Confident65Low1 Ų177.4 Ų77.41%0.0138%0.378CS..  trans-158.8165.1-177.600000112.8K236 Y240 D265 N340 A341K236-G238 PolarHBondContact O-N 2.97Å; G238-Y240 WeakPolarHBondContact O-CE2 3.31Å; G238-D265 WeakPolarHBondContact CA-O 3.33Å; G238-N340 PolarHBondContact N-OD1 3.22Å; G238-N340 WeakPolarHBondContact O-CA 3.4Å; G238-A341 PolarHBondContact O-N 2.79Å
239L85.9Confident67.1Low3 Ų379.6 Ų79.62%0.01639%0.39CS..EExtended strand (participates in β ladder)trans-113.5130.1175.7-17573.5000110.7I264 D265 I272 Y306 A341 F343L239-I264 HydrophobicContact CD2-CD1 4.05Å; L239-I264 HydrophobicContact CG-CD1 3.96Å; L239-I264 WeakPolarHBondContact O-CB 3.26Å; L239-I264 PolarHBondContact O-N 2.91Å; L239-D265 PolarHBondContact N-O 3.49Å; L239-D265 PolarHBondContact O-N 3.46Å; L239-I272 HydrophobicContact CD1-CG1 4.44Å; L239-Y306 HydrophobicContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y306 WeakPolarHBondContact CD2-OH 3.46Å; L239-A341 WeakPolarHBondContact CA-O 3.47Å; L239-A341 HydrophobicContact CD1-CB 3.33Å; L239-A341 WeakPolarHBondContact CD1-O 3.38Å; L239-F343 HydrophobicContact CD1-CD1 4.03Å; L239-F343 HydrophobicContact CD1-CE1 3.65Å; L239-F343 HydrophobicContact CD1-CZ 3.93Å; L239-F343 HydrophobicContact CD2-CE1 4.5Å; L239-F343 HydrophobicContact CD2-CE2 4.11Å; L239-F343 HydrophobicContact CD2-CZ 3.96Å
240Y86.6Confident68.9Low29 Ų2976.9 Ų76.911%0.11437%0.371CS..EExtended strand (participates in β ladder)trans-124.5155-171.9-55.5-93.9000111L225 G238 V261 V262 L263 N340 A341 V342 F343L225-Y240 HydrophobicContact CD1-CE1 4.31Å; L225-Y240 HydrophobicContact CD2-CD1 3.79Å; L225-Y240 HydrophobicContact CD2-CE1 4.01Å; L225-Y240 HydrophobicContact CD2-CG 4.46Å; G238-Y240 WeakPolarHBondContact O-CE2 3.31Å; Y240-V261 HydrophobicContact CD1-CG1 4.16Å; Y240-V261 HydrophobicContact CG-CG1 4.36Å; Y240-V262 CarbonylContact C-O 3.58Å; Y240-V262 WeakPolarHBondContact CA-O 3.26Å; Y240-L263 HydrophobicContact CD1-CB 4.19Å; Y240-L263 HydrophobicContact CD1-CD1 3.87Å; Y240-L263 HydrophobicContact CE1-CB 4.22Å; Y240-L263 HydrophobicContact CE1-CD1 3.48Å; Y240-L263 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L263 HydrophobicContact CE1-CG 4.45Å; Y240-L263 HydrophobicContact CE2-CD1 4.47Å; Y240-N340 HydrophobicContact CE2-CB 4.38Å; Y240-A341 WeakPolarHBondContact CD2-O 3.2Å; Y240-A341 PolarHBondContact N-O 2.88Å; Y240-V342 HydrophobicContact CD2-CG2 4.49Å; Y240-V342 CarbonylContact O-C 3.54Å; Y240-V342 WeakPolarHBondContact O-CA 3.21Å; Y240-F343 PolarHBondContact O-N 2.93Å
241L90.3Very high70.8Confident0 Ų069.6 Ų69.60%035%0.35CS..EExtended strand (participates in β ladder)trans-119.1124.7171.1-179.664.7000109.1V261 V262 I264 F279 A313 M314 L317 F343L241-V261 CarbonylContact O-C 3.53Å; L241-V261 VanDerWaalsContact O-CA 3.26Å; L241-V261 WeakPolarHBondContact O-CA 3.06Å; L241-V261 WeakPolarHBondContact O-CG1 3.37Å; L241-V262 PolarHBondContact N-O 3.02Å; L241-V262 PolarHBondContact O-N 2.97Å; L241-I264 HydrophobicContact CB-CD1 3.9Å; L241-I264 HydrophobicContact CB-CG1 4.11Å; L241-F279 HydrophobicContact CD1-CD2 4.21Å; L241-F279 HydrophobicContact CD1-CE2 3.45Å; L241-F279 VanDerWaalsContact CD1-CE2 3.45Å; L241-F279 HydrophobicContact CD1-CZ 3.85Å; L241-A313 HydrophobicContact CD2-CB 4.2Å; L241-M314 HydrophobicContact CD2-CB 4.24Å; L241-M314 HydrophobicContact CD2-CG 3.46Å; L241-M314 VanDerWaalsContact CD2-CG 3.46Å; L241-L317 HydrophobicContact CB-CD1 4.28Å; L241-L317 HydrophobicContact CD2-CD1 3.58Å; L241-L317 HydrophobicContact CG-CD1 3.53Å; L241-F343 CarbonylContact C-O 3.48Å; L241-F343 WeakPolarHBondContact CA-O 3.44Å; L241-F343 HydrophobicContact CD1-CB 3.81Å
242A87.3Confident72.5Confident5 Ų568.5 Ų68.54%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-114.8144.517800000110.9I259 P260 V261 V342 F343 V344 T345A242-I259 HydrophobicContact CB-CG2 4.38Å; A242-P260 VanDerWaalsContact CA-O 3.32Å; A242-P260 WeakPolarHBondContact CA-O 3.27Å; A242-V261 HydrophobicContact CB-CG2 3.7Å; A242-V342 HydrophobicContact CB-CG1 3.76Å; A242-F343 PolarHBondContact N-O 3.28Å; A242-V344 HydrophobicContact CB-CG2 4.28Å; A242-V344 CarbonylContact O-C 3.5Å; A242-V344 WeakPolarHBondContact O-CA 3.31Å; A242-T345 PolarHBondContact O-N 3.15Å
243A85.9Confident74Confident0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-120.1116.717200000110.8I259 P260 L317 L321 T345A243-I259 WeakPolarHBondContact O-CG2 3.46Å; A243-P260 PolarHBondContact N-O 3.44Å; A243-P260 WeakPolarHBondContact O-CD 3.46Å; A243-L317 HydrophobicContact CB-CD1 4.01Å; A243-L317 HydrophobicContact CB-CD2 4.35Å; A243-L321 HydrophobicContact CB-CD1 3.64Å; A243-T345 WeakPolarHBondContact CA-OG1 3.08Å
244V85.6Confident75.6Confident26 Ų2653.5 Ų53.516%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-100.8112178.8-176.10000108.9V251 I259 V344 T345 V346 K347V244-V251 HydrophobicContact CG1-CG1 3.88Å; V244-I259 HydrophobicContact CG2-CD1 4.17Å; V244-I259 HydrophobicContact CG2-CG2 4.03Å; V244-V344 HydrophobicContact CG2-CG1 3.71Å; V244-T345 WeakPolarHBondContact CB-O 3.43Å; V244-T345 PolarHBondContact N-O 3.07Å; V244-V346 HydrophobicContact CB-CG2 4.36Å; V244-V346 CarbonylContact O-C 3.56Å; V244-V346 VanDerWaalsContact O-CA 3.26Å; V244-V346 WeakPolarHBondContact O-CA 3.41Å; V244-K347 PolarHBondContact O-N 3.37Å
245M82.6Confident76.5Confident10 Ų1056.6 Ų56.65%0.04928%0.28CS..EExtended strand (participates in β ladder)trans-101.5136.3176.2-51.8-63.3-70.300108.6L252 L321 K347 V349M245-L252 HydrophobicContact CB-CB 4.17Å; M245-L252 HydrophobicContact CB-CD1 3.97Å; M245-L252 HydrophobicContact CB-CG 4.38Å; M245-L252 WeakPolarHBondContact O-CB 3.46Å; M245-L252 PolarHBondContact O-N 3.35Å; M245-L321 HydrophobicContact CG-CD1 4.34Å; M245-L321 HydrophobicContact CG-CD2 4.34Å; M245-L321 HydrophobicContact SD-CD1 4.22Å; M245-K347 WeakPolarHBondContact CA-O 2.99Å; M245-K347 HydrophobicContact CE-CB 3.78Å; M245-K347 HydrophobicContact CE-CD 3.68Å; M245-K347 HydrophobicContact CE-CG 3.78Å; M245-K347 HydrophobicContact SD-CB 3.69Å; M245-K347 HydrophobicContact SD-CD 4.43Å; M245-K347 HydrophobicContact SD-CG 4.36Å; M245-V349 HydrophobicContact CB-CG2 3.99Å; M245-V349 HydrophobicContact CE-CG2 3.62Å
246Y81.2Confident77.6Confident84 Ų8453.4 Ų53.433%0.32926%0.261SS..EExtended strand (participates in β ladder)trans-135.1155.1176.477.6-84.7000111.8G248 K250 V346 K347 N348 V349Y246-G248 WeakPolarHBondContact CD2-O 3.31Å; Y246-K250 CarbonylContact C-O 3.49Å; Y246-K250 WeakPolarHBondContact CA-O 3.45Å; Y246-K250 WeakPolarHBondContact CB-O 3.15Å; Y246-V346 HydrophobicContact CD1-CG1 3.84Å; Y246-V346 HydrophobicContact CE1-CG1 3.83Å; Y246-K347 VanDerWaalsContact CD1-O 3.25Å; Y246-K347 WeakPolarHBondContact CD1-O 3.12Å; Y246-K347 PolarHBondContact N-O 3.37Å; Y246-N348 HydrophobicContact CE1-CB 3.83Å; Y246-N348 HydrophobicContact CE2-CB 3.97Å; Y246-N348 WeakPolarHBondContact O-CA 3.38Å; Y246-N348 PolarHBondContact O-OD1 2.97Å; Y246-V349 PolarHBondContact O-N 3.34Å
247R79.8Confident78.2Confident132 Ų13250.7 Ų50.750%0.49825%0.253SS..EExtended strand (participates in β ladder)trans-137.7117.3177.9177.4170.8-176.7178.20.5109N249 K250 E350R247-N249 PolarHBondContact O-N 3.02Å; R247-N249 VanDerWaalsContact O-N 3.15Å; R247-K250 PolarHBondContact N-O 2.84Å; R247-K250 PolarHBondContact O-N 2.94Å; R247-E350 HydrophobicContact CG-CG 3.68Å; R247-E350 VanDerWaalsContact CG-OE1 3.22Å; R247-E350 WeakPolarHBondContact CG-OE1 3.17Å; R247-E350 IonicContact NE-OE1 3.58Å
248G76.6Confident78.1Confident31 Ų3150.8 Ų50.832%0.3225%0.25SS..THydrogen-bonded Turntrans53.7-118.6-169.400000110.6Y246 E350Y246-G248 WeakPolarHBondContact CD2-O 3.31Å; G248-E350 PolarHBondContact N-OE1 2.87Å
249N78.6Confident78Confident175 Ų17552 Ų5294%0.93626%0.256SS*.THydrogen-bonded Turntrans-99.718.3178.7-63.2-16.4000113.6R247R247-N249 PolarHBondContact O-N 3.02Å; R247-N249 VanDerWaalsContact O-N 3.15Å
250K76.1Confident77.8Confident102 Ų10251.9 Ų51.944%0.44326%0.256SS..EExtended strand (participates in β ladder)trans-118.8129.6-174.5-59.9-176.6-179.8-1760110.9Y246 R247 V377 V379Y246-K250 CarbonylContact C-O 3.49Å; Y246-K250 WeakPolarHBondContact CA-O 3.45Å; Y246-K250 WeakPolarHBondContact CB-O 3.15Å; R247-K250 PolarHBondContact N-O 2.84Å; R247-K250 PolarHBondContact O-N 2.94Å; K250-V377 HydrophobicContact CD-CG1 3.63Å; K250-V379 HydrophobicContact CD-CG2 4.07Å; K250-V379 VanDerWaalsContact CE-CG2 3.46Å
251V78.9Confident77.5Confident68 Ų6851 Ų5141%0.41225%0.253SS..EExtended strand (participates in β ladder)trans-84.2136.3169.2-177.80000108.6V244 H253V244-V251 HydrophobicContact CG1-CG1 3.88Å; V251-H253 WeakPolarHBondContact CG1-NE2 3.2Å; V251-H253 PolarHBondContact O-CD2 3.15Å
252L77Confident77.3Confident38 Ų3852.1 Ų52.120%0.19926%0.26CS..EExtended strand (participates in β ladder)trans-90.9130.1177.6-53.1179.6000108.8M245 V349 F375M245-L252 HydrophobicContact CB-CB 4.17Å; M245-L252 HydrophobicContact CB-CD1 3.97Å; M245-L252 HydrophobicContact CB-CG 4.38Å; M245-L252 WeakPolarHBondContact O-CB 3.46Å; M245-L252 PolarHBondContact O-N 3.35Å; L252-V349 HydrophobicContact CD1-CG2 3.8Å; L252-F375 HydrophobicContact CB-CD1 3.92Å; L252-F375 HydrophobicContact CB-CE1 4.33Å
253H71.8Confident77.2Confident57 Ų5754.6 Ų54.626%0.26427%0.272SS..  trans-124.3150.2179.4-62-84.1000110.5V251 Q258 F375V251-H253 WeakPolarHBondContact CG1-NE2 3.2Å; V251-H253 PolarHBondContact O-CD2 3.15Å; H253-Q258 CarbonylContact C-O 3.54Å; H253-Q258 WeakPolarHBondContact CA-O 3.16Å; H253-F375 WeakPolarHBondContact O-CA 3.24Å; H253-F375 WeakPolarHBondContact O-CB 3.09Å; H253-F375 WeakPolarHBondContact O-CD1 3.27Å; H253-F375 VanDerWaalsContact O-CG 3.27Å; H253-F375 WeakPolarHBondContact O-CG 3.49Å
254T71.5Confident77.3Confident5 Ų555 Ų553%0.03128%0.275CS..  trans-57.1169.5176.4660000110.9L226 E256 D257 Q258 P260L226-T254 HydrophobicContact CD1-CG2 3.74Å; L226-T254 HydrophobicContact CD2-CG2 3.57Å; L226-T254 HydrophobicContact CG-CG2 3.86Å; T254-E256 PolarHBondContact O-N 3.04Å; T254-D257 WeakPolarHBondContact O-CA 3.38Å; T254-D257 PolarHBondContact O-N 3.36Å; T254-Q258 WeakPolarHBondContact CG2-O 3.37Å; T254-Q258 PolarHBondContact N-O 2.89Å; T254-Q258 PolarHBondContact OG1-N 3.22Å; T254-Q258 PolarHBondContact OG1-O 3.18Å; T254-P260 HydrophobicContact CG2-CG 3.87Å
255F61.6Low77.2Confident107 Ų10754.8 Ų54.847%0.46927%0.272SS..THydrogen-bonded Turntrans-60.6-14.3176.870.5-83.5000114.2D257 V373 G374F255-D257 VanDerWaalsContact C-N 3.31Å; F255-V373 HydrophobicContact CD1-CB 4.1Å; F255-V373 HydrophobicContact CD1-CG1 3.56Å; F255-V373 HydrophobicContact CD1-CG2 4.31Å; F255-V373 HydrophobicContact CE1-CG1 4.09Å; F255-V373 HydrophobicContact CE1-CG2 4.31Å; F255-G374 WeakPolarHBondContact CA-O 3.36Å; F255-G374 WeakPolarHBondContact CB-O 3.42Å
256E67.6Low76.8Confident71 Ų7158 Ų5833%0.33230%0.296SS..THydrogen-bonded Turntrans-93.211.4174.5-55.5-172158.700112.3T227 T254 Q258T227-E256 PolarHBondContact OG1-OE2 3.05Å; T254-E256 PolarHBondContact O-N 3.04Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 HydrophobicContact CB-CG 4.18Å; E256-Q258 WeakPolarHBondContact O-CG 3.35Å; E256-Q258 PolarHBondContact O-N 2.94Å
257D67.6Low76.2Confident88 Ų8857.2 Ų57.247%0.47130%0.302SS..SBendtrans57.736.1-173.4-60.1-39.9000113.2T254 F255 S376T254-D257 WeakPolarHBondContact O-CA 3.38Å; T254-D257 PolarHBondContact O-N 3.36Å; F255-D257 VanDerWaalsContact C-N 3.31Å; D257-S376 PolarHBondContact OD1-OG 2.99Å
258Q67.4Low75.4Confident35 Ų3552.2 Ų52.216%0.16429%0.292CS..  trans-119.4161.8-178.5-55.8-164.320.100113.4L225 H253 T254 E256L225-Q258 VanDerWaalsContact N-OE1 3.14Å; L225-Q258 PolarHBondContact O-OE1 3.21Å; H253-Q258 CarbonylContact C-O 3.54Å; H253-Q258 WeakPolarHBondContact CA-O 3.16Å; T254-Q258 WeakPolarHBondContact CG2-O 3.37Å; T254-Q258 PolarHBondContact N-O 2.89Å; T254-Q258 PolarHBondContact OG1-N 3.22Å; T254-Q258 PolarHBondContact OG1-O 3.18Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 HydrophobicContact CB-CG 4.18Å; E256-Q258 WeakPolarHBondContact O-CG 3.35Å; E256-Q258 PolarHBondContact O-N 2.94Å
259I78.6Confident74.6Confident25 Ų2552.5 Ų52.513%0.12829%0.289CS..  trans-83.1137.4172.5-60.2-175.4000108.1L224 A242 A243 V244 V261L224-I259 HydrophobicContact CD2-CB 4.24Å; L224-I259 HydrophobicContact CD2-CD1 3.75Å; L224-I259 HydrophobicContact CD2-CG1 3.94Å; A242-I259 HydrophobicContact CB-CG2 4.38Å; A243-I259 WeakPolarHBondContact O-CG2 3.46Å; V244-I259 HydrophobicContact CG2-CD1 4.17Å; V244-I259 HydrophobicContact CG2-CG2 4.03Å; I259-V261 PolarHBondContact O-N 3.26Å
260P80.2Confident73.9Confident2 Ų250.2 Ų50.21%0.01328%0.281CS..  trans-59.6121.5172.2-20.728.8000111.7L226 A242 A243 T254 L317 L321L226-P260 HydrophobicContact CD1-CB 4.15Å; A242-P260 VanDerWaalsContact CA-O 3.32Å; A242-P260 WeakPolarHBondContact CA-O 3.27Å; A243-P260 PolarHBondContact N-O 3.44Å; A243-P260 WeakPolarHBondContact O-CD 3.46Å; T254-P260 HydrophobicContact CG2-CG 3.87Å; P260-L317 HydrophobicContact CB-CD2 3.9Å; P260-L321 HydrophobicContact CG-CD2 3.98Å
261V81.6Confident73.9Confident11 Ų1148.4 Ų48.47%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-137.2140.6179.6-177.20000110.9L224 L225 Y240 L241 A242 I259L224-V261 HydrophobicContact CB-CG2 4.42Å; L224-V261 WeakPolarHBondContact O-CG2 3.38Å; L225-V261 HydrophobicContact CD2-CB 3.83Å; L225-V261 HydrophobicContact CD2-CG1 3.41Å; L225-V261 VanDerWaalsContact CD2-CG1 3.41Å; L225-V261 HydrophobicContact CD2-CG2 4.4Å; Y240-V261 HydrophobicContact CD1-CG1 4.16Å; Y240-V261 HydrophobicContact CG-CG1 4.36Å; L241-V261 CarbonylContact O-C 3.53Å; L241-V261 VanDerWaalsContact O-CA 3.26Å; L241-V261 WeakPolarHBondContact O-CA 3.06Å; L241-V261 WeakPolarHBondContact O-CG1 3.37Å; A242-V261 HydrophobicContact CB-CG2 3.7Å; I259-V261 PolarHBondContact O-N 3.26Å
262V85.7Confident74.1Confident23 Ų2346.9 Ų46.914%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-125135.2176.3178.90000109.7Y240 L241 A313 T316 L317Y240-V262 CarbonylContact C-O 3.58Å; Y240-V262 WeakPolarHBondContact CA-O 3.26Å; L241-V262 PolarHBondContact N-O 3.02Å; L241-V262 PolarHBondContact O-N 2.97Å; V262-A313 HydrophobicContact CB-CB 4.29Å; V262-A313 HydrophobicContact CG1-CB 3.73Å; V262-T316 HydrophobicContact CG1-CG2 4.46Å; V262-T316 HydrophobicContact CG2-CG2 3.88Å; V262-L317 HydrophobicContact CB-CG 4.48Å; V262-L317 HydrophobicContact CG2-CD2 3.74Å; V262-L317 HydrophobicContact CG2-CG 3.73Å
263L86Confident74.4Confident57 Ų5748.6 Ų48.630%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-73.6125.5171.4176.573.4000109.7L231 Y240 D265L231-L263 HydrophobicContact CD2-CB 3.68Å; L231-L263 HydrophobicContact CD2-CD2 3.72Å; L231-L263 HydrophobicContact CD2-CG 4.25Å; Y240-L263 HydrophobicContact CD1-CB 4.19Å; Y240-L263 HydrophobicContact CD1-CD1 3.87Å; Y240-L263 HydrophobicContact CE1-CB 4.22Å; Y240-L263 HydrophobicContact CE1-CD1 3.48Å; Y240-L263 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L263 HydrophobicContact CE1-CG 4.45Å; Y240-L263 HydrophobicContact CE2-CD1 4.47Å; L263-D265 WeakPolarHBondContact CD1-O 3.47Å
264I86.7Confident75.1Confident9 Ų948.4 Ų48.45%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-85.9-53.5172.7-61.3156.3000109.1L239 L241 Y306 K309 L310 A313 F343L239-I264 HydrophobicContact CD2-CD1 4.05Å; L239-I264 HydrophobicContact CG-CD1 3.96Å; L239-I264 WeakPolarHBondContact O-CB 3.26Å; L239-I264 PolarHBondContact O-N 2.91Å; L241-I264 HydrophobicContact CB-CD1 3.9Å; L241-I264 HydrophobicContact CB-CG1 4.11Å; I264-Y306 HydrophobicContact CG2-CD2 4.36Å; I264-Y306 HydrophobicContact CG2-CE2 3.72Å; I264-K309 HydrophobicContact CG2-CB 4.05Å; I264-K309 WeakPolarHBondContact O-CD 3.36Å; I264-L310 HydrophobicContact CD1-CD1 3.59Å; I264-L310 HydrophobicContact CG1-CD1 4.08Å; I264-L310 HydrophobicContact CG2-CB 4.1Å; I264-A313 HydrophobicContact CG1-CB 3.81Å; I264-F343 HydrophobicContact CD1-CD2 4.32Å
265D83.6Confident75.8Confident21 Ų2148.5 Ų48.511%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-149.1143.6-178-161.426.8000112.9G238 L239 L263 S267 Y306 K309G238-D265 WeakPolarHBondContact CA-O 3.33Å; L239-D265 PolarHBondContact N-O 3.49Å; L239-D265 PolarHBondContact O-N 3.46Å; L263-D265 WeakPolarHBondContact CD1-O 3.47Å; D265-S267 PolarHBondContact OD2-OG 2.83Å; D265-Y306 HydrophobicContact CB-CD2 4.41Å; D265-K309 HydrophobicContact CB-CD 4.48Å; D265-K309 IonicContact OD1-NZ 3.98Å; D265-K309 PolarHBondContact OD1-NZ 2.85Å; D265-K309 IonicContact OD2-NZ 2.7Å
266S73.7Confident77.2Confident78 Ų7844 Ų4455%0.54527%0.272SS..SBendtrans-97.2-14.9179.363.60000113.2
267S69.1Low78.2Confident66 Ų6645.8 Ų45.846%0.46228%0.281SS..SBendtrans-76.5129165.383.90000106.9D265D265-S267 PolarHBondContact OD2-OG 2.83Å
268G63.9Low79.2Confident28 Ų2843.7 Ų43.729%0.28927%0.266SS..  trans-52.6161-178.600000112.2T270G268-T270 PolarHBondContact O-N 3.22Å
269P59.6Low80.4Confident37 Ų3742 Ų4224%0.2426%0.259CS..  trans-74.489.9-167.727.7-33.3000112.7T271 I272P269-T271 PolarHBondContact O-N 2.71Å; P269-T271 VanDerWaalsContact O-N 3.08Å; P269-I272 HydrophobicContact CB-CB 4.26Å; P269-I272 HydrophobicContact CB-CD1 3.32Å; P269-I272 HydrophobicContact CB-CG1 3.27Å; P269-I272 HydrophobicContact CG-CD1 3.2Å; P269-I272 HydrophobicContact CG-CG1 3.79Å
270T63Low81Confident126 Ų12643.1 Ų43.177%0.77327%0.265SS*.THydrogen-bonded Turntrans-66.2-13.2177.249.70000113.1G268G268-T270 PolarHBondContact O-N 3.22Å
271T76.6Confident81.4Confident64 Ų6449.8 Ų49.839%0.39329%0.293SS..THydrogen-bonded Turntrans-155.256.3173.250.70000114.8P269 A273 S274 Q275P269-T271 PolarHBondContact O-N 2.71Å; P269-T271 VanDerWaalsContact O-N 3.08Å; T271-A273 PolarHBondContact O-N 2.81Å; T271-S274 VanDerWaalsContact CB-OG 3.25Å; T271-S274 WeakPolarHBondContact CB-OG 3.16Å; T271-S274 PolarHBondContact O-N 3.46Å; T271-S274 VanDerWaalsContact O-N 3.13Å; T271-S274 PolarHBondContact O-OG 3.05Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; T271-S274 PolarHBondContact OG1-OG 2.82Å; T271-Q275 WeakPolarHBondContact O-CG 3.31Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 PolarHBondContact OG1-NE2 3.09Å
272I82.9Confident81.8Confident37 Ų3749.7 Ų49.719%0.1929%0.293CS..Hα-helixtrans-42.6-48.2180-90.2140.5000112.8L239 P269 S274 Q275 F276 P333 A341 F343L239-I272 HydrophobicContact CD1-CG1 4.44Å; P269-I272 HydrophobicContact CB-CB 4.26Å; P269-I272 HydrophobicContact CB-CD1 3.32Å; P269-I272 HydrophobicContact CB-CG1 3.27Å; P269-I272 HydrophobicContact CG-CD1 3.2Å; P269-I272 HydrophobicContact CG-CG1 3.79Å; I272-S274 PolarHBondContact O-N 3.14Å; I272-Q275 PolarHBondContact O-N 3.15Å; I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 PolarHBondContact O-N 3.12Å; I272-P333 HydrophobicContact CG2-CB 4.05Å; I272-P333 HydrophobicContact CG2-CG 3.62Å; I272-A341 HydrophobicContact CD1-CB 3.69Å; I272-A341 HydrophobicContact CG1-CB 3.76Å; I272-F343 HydrophobicContact CG2-CE1 4.49Å
273A83.9Confident81.9Confident73 Ų7350.1 Ų50.160%0.60330%0.296SS*.Hα-helixtrans-63.1-44.3-172.400000112.4T271 Q275 F276 Q277T271-A273 PolarHBondContact O-N 2.81Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; A273-F276 PolarHBondContact O-N 2.92Å; A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 2.92Å; A273-Q277 PolarHBondContact O-N 2.88Å
274S85.9Confident81.7Confident53 Ų5352.7 Ų52.737%0.37132%0.318SS..Hα-helixtrans-68.4-37.2179.477.40000111.2T271 I272 Q277 W278T271-S274 VanDerWaalsContact CB-OG 3.25Å; T271-S274 WeakPolarHBondContact CB-OG 3.16Å; T271-S274 PolarHBondContact O-N 3.46Å; T271-S274 VanDerWaalsContact O-N 3.13Å; T271-S274 PolarHBondContact O-OG 3.05Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; T271-S274 PolarHBondContact OG1-OG 2.82Å; I272-S274 PolarHBondContact O-N 3.14Å; S274-Q277 PolarHBondContact O-N 2.7Å; S274-W278 PolarHBondContact O-N 3.01Å
275Q87.6Confident81.4Confident8 Ų854.4 Ų54.44%0.03733%0.333CS..Hα-helixtrans-71-38.2178.1-59.4-45.7-20.700112.3T271 I272 A273 W278 F279 Y306 F343T271-Q275 WeakPolarHBondContact O-CG 3.31Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 PolarHBondContact OG1-NE2 3.09Å; I272-Q275 PolarHBondContact O-N 3.15Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; Q275-W278 PolarHBondContact O-N 3.09Å; Q275-F279 WeakPolarHBondContact O-CB 3.33Å; Q275-F279 PolarHBondContact O-N 2.84Å; Q275-Y306 HydrophobicContact CB-CD1 4.22Å; Q275-Y306 HydrophobicContact CB-CE1 3.44Å; Q275-Y306 VanDerWaalsContact CB-CE1 3.44Å; Q275-Y306 HydrophobicContact CB-CE2 4.5Å; Q275-Y306 HydrophobicContact CG-CD1 3.64Å; Q275-Y306 HydrophobicContact CG-CD2 4.38Å; Q275-Y306 HydrophobicContact CG-CE1 3.34Å; Q275-Y306 HydrophobicContact CG-CE2 4.09Å; Q275-Y306 HydrophobicContact CG-CG 4.18Å; Q275-F343 HydrophobicContact CB-CE2 4.33Å; Q275-F343 HydrophobicContact CB-CZ 4.16Å
276F90Very high80.9Confident11 Ų1163.8 Ų63.85%0.04837%0.373CS..Hα-helixtrans-64.7-42.8175.5-176-107.1000111.1I272 A273 W278 F279 L280 H330 V331 R332 P333 F343I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 PolarHBondContact O-N 3.12Å; A273-F276 PolarHBondContact O-N 2.92Å; F276-W278 PolarHBondContact O-N 3.41Å; F276-F279 AromaticContact CD2-CD1 3.89Å; F276-F279 HydrophobicContact CD2-CD1 3.89Å; F276-F279 AromaticContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CE1 4.12Å; F276-F279 WeakPolarHBondContact O-CB 3.49Å; F276-F279 PolarHBondContact O-N 3.24Å; F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.37Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CD2 4.16Å; F276-L280 HydrophobicContact CE1-CG 4.03Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD1 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.9Å; F276-L280 HydrophobicContact CZ-CG 4.21Å; F276-L280 WeakPolarHBondContact O-CG 3.41Å; F276-L280 PolarHBondContact O-N 3.27Å; F276-H330 VanDerWaalsContact CZ-O 3.25Å; F276-H330 WeakPolarHBondContact CZ-O 3.4Å; F276-V331 WeakPolarHBondContact CE1-O 3.15Å; F276-R332 VanDerWaalsContact CZ-CA 3.49Å; F276-P333 HydrophobicContact CD2-CB 4.14Å; F276-P333 HydrophobicContact CD2-CG 4.37Å; F276-P333 HydrophobicContact CE2-CB 4.5Å; F276-P333 HydrophobicContact CG-CG 4.28Å; F276-F343 HydrophobicContact CB-CE1 3.87Å; F276-F343 HydrophobicContact CB-CE2 4.39Å; F276-F343 HydrophobicContact CB-CZ 3.7Å; F276-F343 AromaticContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD2 4.44Å; F276-F343 AromaticContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE2 4.44Å; F276-F343 HydrophobicContact CD2-CG 4.06Å; F276-F343 HydrophobicContact CD2-CZ 4.08Å; F276-F343 HydrophobicContact CE2-CD1 4.33Å; F276-F343 HydrophobicContact CG-CE1 4.22Å; F276-F343 HydrophobicContact CG-CZ 4.41Å
277Q88.5Confident81.2Confident110 Ų11064.5 Ų64.551%0.51438%0.378SS..Hα-helixtrans-59.2-36.3173.6-73.8-65.1-38.500112.7A273 S274 K281A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 2.92Å; A273-Q277 PolarHBondContact O-N 2.88Å; S274-Q277 PolarHBondContact O-N 2.7Å; Q277-K281 WeakPolarHBondContact O-CG 3.48Å; Q277-K281 PolarHBondContact O-N 3.27Å
278W88.6Confident81.9Confident43 Ų4362.4 Ų62.416%0.16336%0.361CS..Hα-helixtrans-75.7-36.6176.3-167.980.4000112.5S274 Q275 F276 L280 K281 L282 R307 L310 I311S274-W278 PolarHBondContact O-N 3.01Å; Q275-W278 PolarHBondContact O-N 3.09Å; F276-W278 PolarHBondContact O-N 3.41Å; W278-L280 VanDerWaalsContact C-N 3.35Å; W278-L280 PolarHBondContact O-N 3.33Å; W278-K281 WeakPolarHBondContact O-CB 3.02Å; W278-K281 PolarHBondContact O-N 2.98Å; W278-K281 VanDerWaalsContact O-N 3.15Å; W278-L282 HydrophobicContact CD2-CD1 4.47Å; W278-L282 HydrophobicContact CD2-CG 4.37Å; W278-L282 HydrophobicContact CE3-CD1 3.69Å; W278-L282 HydrophobicContact CE3-CG 4.04Å; W278-L282 HydrophobicContact CH2-CD1 3.69Å; W278-L282 HydrophobicContact CH2-CD2 4.08Å; W278-L282 HydrophobicContact CH2-CG 4.14Å; W278-L282 HydrophobicContact CZ2-CD1 4.41Å; W278-L282 HydrophobicContact CZ2-CD2 4.1Å; W278-L282 HydrophobicContact CZ2-CG 4.38Å; W278-L282 HydrophobicContact CZ3-CD1 3.26Å; W278-L282 HydrophobicContact CZ3-CD2 4.4Å; W278-L282 HydrophobicContact CZ3-CG 3.96Å; W278-L282 PolarHBondContact O-N 3.16Å; W278-R307 HydrophobicContact CD2-CG 3.78Å; W278-R307 HydrophobicContact CE3-CB 4.27Å; W278-R307 HydrophobicContact CE3-CG 3.78Å; W278-R307 HydrophobicContact CG-CG 4.43Å; W278-R307 HydrophobicContact CH2-CB 3.43Å; W278-R307 VanDerWaalsContact CH2-CB 3.43Å; W278-R307 HydrophobicContact CH2-CG 3.75Å; W278-R307 WeakPolarHBondContact CH2-O 3.16Å; W278-R307 HydrophobicContact CZ2-CB 3.83Å; W278-R307 HydrophobicContact CZ2-CG 3.85Å; W278-R307 HydrophobicContact CZ3-CB 3.69Å; W278-R307 HydrophobicContact CZ3-CG 3.73Å; W278-R307 WeakPolarHBondContact CZ3-O 3.24Å; W278-L310 HydrophobicContact CE3-CD2 3.48Å; W278-L310 VanDerWaalsContact CE3-CD2 3.48Å; W278-L310 HydrophobicContact CE3-CG 4.32Å; W278-L310 HydrophobicContact CZ3-CB 4.06Å; W278-L310 HydrophobicContact CZ3-CD2 3.65Å; W278-L310 HydrophobicContact CZ3-CG 3.99Å; W278-I311 HydrophobicContact CH2-CD1 3.56Å; W278-I311 HydrophobicContact CH2-CG1 3.58Å; W278-I311 HydrophobicContact CZ2-CD1 4.17Å; W278-I311 HydrophobicContact CZ3-CG1 4.19Å
279F92.3Very high82.8Confident0 Ų064.1 Ų64.10%037%0.367CS..Hα-helixtrans-56.7-45.7169.8164.7-109.1000112L241 Q275 F276 K281 L282 C283 L310 M314 A329 F343 T345L241-F279 HydrophobicContact CD1-CD2 4.21Å; L241-F279 HydrophobicContact CD1-CE2 3.45Å; L241-F279 VanDerWaalsContact CD1-CE2 3.45Å; L241-F279 HydrophobicContact CD1-CZ 3.85Å; Q275-F279 WeakPolarHBondContact O-CB 3.33Å; Q275-F279 PolarHBondContact O-N 2.84Å; F276-F279 AromaticContact CD2-CD1 3.89Å; F276-F279 HydrophobicContact CD2-CD1 3.89Å; F276-F279 AromaticContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CE1 4.12Å; F276-F279 WeakPolarHBondContact O-CB 3.49Å; F276-F279 PolarHBondContact O-N 3.24Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.39Å; F279-L282 WeakPolarHBondContact O-CA 3.11Å; F279-L282 WeakPolarHBondContact O-CB 3.48Å; F279-L282 PolarHBondContact O-N 3.3Å; F279-C283 WeakPolarHBondContact CE2-SG 3.43Å; F279-C283 VanDerWaalsContact CZ-SG 3.52Å; F279-C283 PolarHBondContact O-N 3.49Å; F279-L310 HydrophobicContact CB-CD2 3.93Å; F279-L310 HydrophobicContact CD2-CD1 4.29Å; F279-M314 HydrophobicContact CD2-SD 4.3Å; F279-M314 HydrophobicContact CE2-SD 4.45Å; F279-A329 HydrophobicContact CD1-CB 4.41Å; F279-A329 HydrophobicContact CE1-CB 3.61Å; F279-A329 HydrophobicContact CZ-CB 4.05Å; F279-F343 HydrophobicContact CB-CD2 3.75Å; F279-F343 HydrophobicContact CB-CE2 3.89Å; F279-F343 HydrophobicContact CD1-CB 4.07Å; F279-F343 AromaticContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CG 4.11Å; F279-F343 HydrophobicContact CD2-CD2 4.17Å; F279-F343 HydrophobicContact CE1-CB 3.91Å; F279-F343 HydrophobicContact CE1-CG 4.43Å; F279-F343 HydrophobicContact CE2-CB 4.4Å; F279-F343 HydrophobicContact CG-CB 4.37Å; F279-F343 AromaticContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CE2 4.32Å; F279-F343 HydrophobicContact CG-CG 4.29Å; F279-F343 HydrophobicContact CZ-CB 4.07Å; F279-T345 HydrophobicContact CE2-CG2 4.08Å; F279-T345 HydrophobicContact CZ-CG2 3.7Å
280L91Very high83.5Confident48 Ų4867.6 Ų67.625%0.25139%0.393SS..Hα-helixtrans-56.4-41.7175.1-67.3179.6000111.8F276 W278 L282 C283 C284 A329F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.37Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CD2 4.16Å; F276-L280 HydrophobicContact CE1-CG 4.03Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD1 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.9Å; F276-L280 HydrophobicContact CZ-CG 4.21Å; F276-L280 WeakPolarHBondContact O-CG 3.41Å; F276-L280 PolarHBondContact O-N 3.27Å; W278-L280 VanDerWaalsContact C-N 3.35Å; W278-L280 PolarHBondContact O-N 3.33Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.43Å; L280-C283 PolarHBondContact O-N 2.97Å; L280-C284 PolarHBondContact O-N 3.5Å; L280-C284 PolarHBondContact O-SG 2.82Å; L280-C284 VanDerWaalsContact O-SG 3.33Å; L280-A329 HydrophobicContact CD2-CB 3.44Å; L280-A329 VanDerWaalsContact CD2-CB 3.44Å
281K88.3Confident83.8Confident142 Ų14263.3 Ų63.362%0.61737%0.366SS*.Hα-helixtrans-62.9-37.8175.6-66.3173.3-176-177.50112.4Q277 W278 F279 C284 A285Q277-K281 WeakPolarHBondContact O-CG 3.48Å; Q277-K281 PolarHBondContact O-N 3.27Å; W278-K281 WeakPolarHBondContact O-CB 3.02Å; W278-K281 PolarHBondContact O-N 2.98Å; W278-K281 VanDerWaalsContact O-N 3.15Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.39Å; K281-C284 PolarHBondContact O-N 3.15Å; K281-A285 PolarHBondContact O-N 3.13Å
282L90Very high82.8Confident10 Ų1066.1 Ų66.15%0.05239%0.387CS..Hα-helixtrans-66.4-41.1175.9-71.4-177.5000112.1W278 F279 L280 C284 A285 L288 P289 L310 I311 M314W278-L282 HydrophobicContact CD2-CD1 4.47Å; W278-L282 HydrophobicContact CD2-CG 4.37Å; W278-L282 HydrophobicContact CE3-CD1 3.69Å; W278-L282 HydrophobicContact CE3-CG 4.04Å; W278-L282 HydrophobicContact CH2-CD1 3.69Å; W278-L282 HydrophobicContact CH2-CD2 4.08Å; W278-L282 HydrophobicContact CH2-CG 4.14Å; W278-L282 HydrophobicContact CZ2-CD1 4.41Å; W278-L282 HydrophobicContact CZ2-CD2 4.1Å; W278-L282 HydrophobicContact CZ2-CG 4.38Å; W278-L282 HydrophobicContact CZ3-CD1 3.26Å; W278-L282 HydrophobicContact CZ3-CD2 4.4Å; W278-L282 HydrophobicContact CZ3-CG 3.96Å; W278-L282 PolarHBondContact O-N 3.16Å; F279-L282 WeakPolarHBondContact O-CA 3.11Å; F279-L282 WeakPolarHBondContact O-CB 3.48Å; F279-L282 PolarHBondContact O-N 3.3Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.43Å; L282-C284 PolarHBondContact O-N 2.8Å; L282-A285 WeakPolarHBondContact O-CB 3.5Å; L282-A285 PolarHBondContact O-N 2.74Å; L282-L288 HydrophobicContact CB-CD2 4.37Å; L282-L288 HydrophobicContact CD2-CD2 4.27Å; L282-P289 HydrophobicContact CD2-CG 4.21Å; L282-L310 HydrophobicContact CD1-CD2 4.3Å; L282-L310 HydrophobicContact CD1-CG 4.14Å; L282-I311 HydrophobicContact CD1-CG1 3.98Å; L282-I311 HydrophobicContact CD2-CG1 4.3Å; L282-M314 HydrophobicContact CB-CE 4.18Å; L282-M314 HydrophobicContact CB-SD 3.69Å; L282-M314 HydrophobicContact CD1-SD 3.57Å; L282-M314 VanDerWaalsContact CD1-SD 3.57Å; L282-M314 HydrophobicContact CG-SD 4.31Å
283C88.1Confident81.4Confident31 Ų3167.4 Ų67.421%0.20940%0.399CS..Hα-helixtrans-63.2-25.8175.3-68.40000112.8F279 L280 A329F279-C283 WeakPolarHBondContact CE2-SG 3.43Å; F279-C283 VanDerWaalsContact CZ-SG 3.52Å; F279-C283 PolarHBondContact O-N 3.49Å; L280-C283 PolarHBondContact O-N 2.97Å; C283-A329 HydrophobicContact CB-CB 4.14Å
284C82.5Confident79.7Confident112 Ų11269.5 Ų69.576%0.75740%0.404SS*.THydrogen-bonded Turntrans-86.7-6.7173.6-60.50000113.9L280 K281 L282L280-C284 PolarHBondContact O-N 3.5Å; L280-C284 PolarHBondContact O-SG 2.82Å; L280-C284 VanDerWaalsContact O-SG 3.33Å; K281-C284 PolarHBondContact O-N 3.15Å; L282-C284 PolarHBondContact O-N 2.8Å
285A80.7Confident78.1Confident44 Ų4470.1 Ų70.136%0.36442%0.419SS..SBendtrans-77.4138.9179.600000110.5K281 L282 S287K281-A285 PolarHBondContact O-N 3.13Å; L282-A285 WeakPolarHBondContact O-CB 3.5Å; L282-A285 PolarHBondContact O-N 2.74Å; A285-S287 PolarHBondContact O-N 3.47Å
286K72.8Confident76.4Confident218 Ų21876.2 Ų76.295%0.94845%0.452SS*.SBendtrans-62.3-29.5176.5-68.9-176.5177.2-178.70112.9
287S80.2Confident74.6Confident93 Ų9379.6 Ų79.665%0.6548%0.481SS*.SBendtrans-152151177570000109.3A285A285-S287 PolarHBondContact O-N 3.47Å
288L84.6Confident73.2Confident23 Ų2375.6 Ų75.612%0.1247%0.465CS..PPolyproline II helixtrans-69.7135.5177.1-71.4179.2000110.8L282 S290 I311 M314 R315L282-L288 HydrophobicContact CB-CD2 4.37Å; L282-L288 HydrophobicContact CD2-CD2 4.27Å; L288-S290 PolarHBondContact O-N 3.17Å; L288-I311 HydrophobicContact CB-CG2 4.47Å; L288-M314 HydrophobicContact CD1-CB 3.56Å; L288-M314 HydrophobicContact CD2-CB 4.25Å; L288-M314 HydrophobicContact CD2-CE 3.87Å; L288-M314 HydrophobicContact CD2-SD 3.82Å; L288-R315 HydrophobicContact CD1-CG 3.76Å
289P81Confident71.7Confident63 Ų6376.5 Ų76.541%0.40948%0.477SS..PPolyproline II helixtrans-57.2134177.8-2332.2000112L282 V291 I311 R315L282-P289 HydrophobicContact CD2-CG 4.21Å; P289-V291 PolarHBondContact O-N 2.92Å; P289-I311 HydrophobicContact CB-CD1 4.31Å; P289-I311 HydrophobicContact CG-CD1 4.35Å; P289-R315 PolarHBondContact O-NH2 3.35Å
290S75.7Confident70.2Confident111 Ų11184.6 Ų84.678%0.77652%0.515SS*.PPolyproline II helixtrans-59.6130.1170.752.70000109.7L288L288-S290 PolarHBondContact O-N 3.17Å
291V68Low69.2Low36 Ų3684.8 Ų84.822%0.21852%0.52CS..  trans-106.599.8174.9-178.20000106.5P289 C293 V308 I311P289-V291 PolarHBondContact O-N 2.92Å; V291-C293 WeakPolarHBondContact CG1-O 3.24Å; V291-V308 HydrophobicContact CG1-CB 4.38Å; V291-V308 HydrophobicContact CG1-CG1 3.81Å; V291-V308 HydrophobicContact CG1-CG2 3.83Å; V291-I311 HydrophobicContact CG2-CB 4.1Å; V291-I311 HydrophobicContact CG2-CD1 3.73Å; V291-I311 HydrophobicContact CG2-CG2 3.75Å
292C55.7Low68.5Low122 Ų12282.6 Ų82.682%0.82452%0.523SS*.  trans-83.9-25.5175.3-1680000111.6T294C292-T294 PolarHBondContact O-N 3.48Å
293C53.3Low68Low65 Ų6585.1 Ų85.144%0.43954%0.536SS..  trans-85.6101.9-177.2-51.20000110.1V291 A297 V298V291-C293 WeakPolarHBondContact CG1-O 3.24Å; C293-A297 HydrophobicContact CB-CB 4.37Å; C293-V298 HydrophobicContact CB-CG2 3.65Å
294T49.5Very low67.7Low117 Ų11787.6 Ų87.672%0.71855%0.546SS*.  trans-113.1152.6169.756.10000110.2C292 D296C292-T294 PolarHBondContact O-N 3.48Å; T294-D296 PolarHBondContact O-N 3.05Å
295G52Low67.7Low66 Ų6684.2 Ų84.268%0.6852%0.522SS*.THydrogen-bonded Turntrans80.6-81.1171.500000114.5
296D51.6Low67.9Low135 Ų13583 Ų8372%0.72251%0.508SS*.THydrogen-bonded Turntrans-112.2-37.6-156-59.5-32.9000113.9T294 V298 S299T294-D296 PolarHBondContact O-N 3.05Å; D296-V298 PolarHBondContact O-N 3.04Å; D296-V298 VanDerWaalsContact O-N 3.12Å; D296-S299 WeakPolarHBondContact O-CB 3.35Å; D296-S299 PolarHBondContact O-N 3.36Å; D296-S299 PolarHBondContact O-OG 2.7Å
297A53.2Low68.6Low82 Ų8276.4 Ų76.468%0.67848%0.477SS*.THydrogen-bonded Turntrans-65.5-21.2-173.800000114.7C293C293-A297 HydrophobicContact CB-CB 4.37Å
298V57.6Low69Low27 Ų2774 Ų7416%0.16446%0.459CS..THydrogen-bonded Turntrans-109.5-2.6-177.5-166.90000111.8C293 D296 H300 C301 L304 T305C293-V298 HydrophobicContact CB-CG2 3.65Å; D296-V298 PolarHBondContact O-N 3.04Å; D296-V298 VanDerWaalsContact O-N 3.12Å; V298-H300 PolarHBondContact O-N 2.91Å; V298-H300 VanDerWaalsContact O-N 3.16Å; V298-C301 PolarHBondContact O-N 3.4Å; V298-L304 VanDerWaalsContact CG1-C 3.46Å; V298-L304 HydrophobicContact CG1-CB 3.27Å; V298-T305 PolarHBondContact O-OG1 3.17Å
299S58.2Low69.2Low61 Ų6176.7 Ų76.743%0.42747%0.469SS..THydrogen-bonded Turntrans-58.9-32.4-170.262.60000113.4D296 C301D296-S299 WeakPolarHBondContact O-CB 3.35Å; D296-S299 PolarHBondContact O-N 3.36Å; D296-S299 PolarHBondContact O-OG 2.7Å; S299-C301 PolarHBondContact O-N 3.49Å
300H59.8Low69.6Low170 Ų17073.7 Ų73.779%0.78745%0.45SS*.THydrogen-bonded Turntrans-82.9-6.5-175.8-56.9-65.1000114.8V298V298-H300 PolarHBondContact O-N 2.91Å; V298-H300 VanDerWaalsContact O-N 3.16Å
301C69.7Low70.4Confident52 Ų5268.8 Ų68.835%0.35142%0.415SS..  trans-124.196-179.4-173.30000111.7V298 S299 L303 L304 T305V298-C301 PolarHBondContact O-N 3.4Å; S299-C301 PolarHBondContact O-N 3.49Å; C301-L303 PolarHBondContact O-N 3.35Å; C301-L304 HydrophobicContact CB-CB 4.13Å; C301-L304 HydrophobicContact CB-CD1 3.99Å; C301-L304 HydrophobicContact CB-CG 4.17Å; C301-L304 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-OG1 2.97Å
302S75.1Confident71.4Confident97 Ų9771.5 Ų71.568%0.67843%0.426SS*.Hα-helixtrans-50.2-37.3-178.558.60000113.8Y306S302-Y306 VanDerWaalsContact O-CB 3.31Å; S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 3.14Å
303L78.9Confident73Confident63 Ų6365.9 Ų65.933%0.3339%0.387SS..Hα-helixtrans-64.7-43.7177.1-164.187.7000112.5C301 R307C301-L303 PolarHBondContact O-N 3.35Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 3.26Å; L303-R307 VanDerWaalsContact O-N 3.15Å
304L81.3Confident74.8Confident82 Ų8263.1 Ų63.143%0.42937%0.368SS..Hα-helixtrans-73.8-39178.4-68176.3000110.9V298 C301 Y306 R307 V308V298-L304 VanDerWaalsContact CG1-C 3.46Å; V298-L304 HydrophobicContact CG1-CB 3.27Å; C301-L304 HydrophobicContact CB-CB 4.13Å; C301-L304 HydrophobicContact CB-CD1 3.99Å; C301-L304 HydrophobicContact CB-CG 4.17Å; C301-L304 PolarHBondContact O-N 2.9Å; L304-Y306 PolarHBondContact O-N 3.13Å; L304-R307 PolarHBondContact O-N 3.46Å; L304-R307 VanDerWaalsContact O-N 3.11Å; L304-V308 WeakPolarHBondContact O-CG2 3.19Å; L304-V308 PolarHBondContact O-N 3.24Å
305T82.2Confident76.6Confident41 Ų4160.1 Ų60.125%0.25234%0.344SS..Hα-helixtrans-56.7-43.2174.2-43.60000110.3V298 C301 V308 K309V298-T305 PolarHBondContact O-OG1 3.17Å; C301-T305 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-OG1 2.97Å; T305-V308 PolarHBondContact O-N 3.16Å; T305-K309 WeakPolarHBondContact O-CG 3.32Å; T305-K309 PolarHBondContact O-N 3.16Å
306Y84.9Confident78.1Confident19 Ų1958.9 Ų58.98%0.07532%0.323CS..Hα-helixtrans-62.4-45.7175.9175.9-79000112.2L239 I264 D265 Q275 S302 L304 V308 K309 L310L239-Y306 HydrophobicContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y306 WeakPolarHBondContact CD2-OH 3.46Å; I264-Y306 HydrophobicContact CG2-CD2 4.36Å; I264-Y306 HydrophobicContact CG2-CE2 3.72Å; D265-Y306 HydrophobicContact CB-CD2 4.41Å; Q275-Y306 HydrophobicContact CB-CD1 4.22Å; Q275-Y306 HydrophobicContact CB-CE1 3.44Å; Q275-Y306 VanDerWaalsContact CB-CE1 3.44Å; Q275-Y306 HydrophobicContact CB-CE2 4.5Å; Q275-Y306 HydrophobicContact CG-CD1 3.64Å; Q275-Y306 HydrophobicContact CG-CD2 4.38Å; Q275-Y306 HydrophobicContact CG-CE1 3.34Å; Q275-Y306 HydrophobicContact CG-CE2 4.09Å; Q275-Y306 HydrophobicContact CG-CG 4.18Å; S302-Y306 VanDerWaalsContact O-CB 3.31Å; S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 3.14Å; L304-Y306 PolarHBondContact O-N 3.13Å; Y306-V308 VanDerWaalsContact C-N 3.29Å; Y306-V308 PolarHBondContact O-N 3.22Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.78Å; Y306-K309 VanDerWaalsContact O-N 3.14Å; Y306-L310 HydrophobicContact CE1-CB 4.05Å; Y306-L310 HydrophobicContact CE1-CD2 3.9Å; Y306-L310 PolarHBondContact O-N 3.49Å
307R88.3Confident79.7Confident79 Ų7952.5 Ų52.530%0.29829%0.289SS..Hα-helixtrans-60.8-39.3179.2-76.9-178.4-178.9170.44.7112.4W278 L303 L304 L310 I311W278-R307 HydrophobicContact CD2-CG 3.78Å; W278-R307 HydrophobicContact CE3-CB 4.27Å; W278-R307 HydrophobicContact CE3-CG 3.78Å; W278-R307 HydrophobicContact CG-CG 4.43Å; W278-R307 HydrophobicContact CH2-CB 3.43Å; W278-R307 VanDerWaalsContact CH2-CB 3.43Å; W278-R307 HydrophobicContact CH2-CG 3.75Å; W278-R307 WeakPolarHBondContact CH2-O 3.16Å; W278-R307 HydrophobicContact CZ2-CB 3.83Å; W278-R307 HydrophobicContact CZ2-CG 3.85Å; W278-R307 HydrophobicContact CZ3-CB 3.69Å; W278-R307 HydrophobicContact CZ3-CG 3.73Å; W278-R307 WeakPolarHBondContact CZ3-O 3.24Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 3.26Å; L303-R307 VanDerWaalsContact O-N 3.15Å; L304-R307 PolarHBondContact O-N 3.46Å; L304-R307 VanDerWaalsContact O-N 3.11Å; R307-L310 PolarHBondContact O-N 2.85Å; R307-I311 WeakPolarHBondContact O-CG1 3.4Å; R307-I311 PolarHBondContact O-N 3.2Å
308V87.9Confident81.2Confident43 Ų4350.1 Ų50.126%0.26126%0.264SS..Hα-helixtrans-61.9-47.8173.3167.30000111V291 L304 T305 Y306 L310 I311 Q312V291-V308 HydrophobicContact CG1-CB 4.38Å; V291-V308 HydrophobicContact CG1-CG1 3.81Å; V291-V308 HydrophobicContact CG1-CG2 3.83Å; L304-V308 WeakPolarHBondContact O-CG2 3.19Å; L304-V308 PolarHBondContact O-N 3.24Å; T305-V308 PolarHBondContact O-N 3.16Å; Y306-V308 VanDerWaalsContact C-N 3.29Å; Y306-V308 PolarHBondContact O-N 3.22Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 2.83Å; V308-I311 PolarHBondContact O-N 2.63Å; V308-Q312 WeakPolarHBondContact O-CB 3.44Å; V308-Q312 PolarHBondContact O-N 2.76Å
309K88.7Confident82.3Confident79 Ų7954.7 Ų54.734%0.34328%0.283SS..Hα-helixtrans-58.5-41.4175.7-72.4171.4171.6-179.50112.4I264 D265 T305 Y306 Q312 A313I264-K309 HydrophobicContact CG2-CB 4.05Å; I264-K309 WeakPolarHBondContact O-CD 3.36Å; D265-K309 HydrophobicContact CB-CD 4.48Å; D265-K309 IonicContact OD1-NZ 3.98Å; D265-K309 PolarHBondContact OD1-NZ 2.85Å; D265-K309 IonicContact OD2-NZ 2.7Å; T305-K309 WeakPolarHBondContact O-CG 3.32Å; T305-K309 PolarHBondContact O-N 3.16Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.78Å; Y306-K309 VanDerWaalsContact O-N 3.14Å; K309-Q312 PolarHBondContact O-N 2.96Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 3.38Å
310L90.1Very high83.2Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-67.4-42.3178.7175.759.5000112.3I264 W278 F279 L282 Y306 R307 V308 Q312 A313 M314 F343I264-L310 HydrophobicContact CD1-CD1 3.59Å; I264-L310 HydrophobicContact CG1-CD1 4.08Å; I264-L310 HydrophobicContact CG2-CB 4.1Å; W278-L310 HydrophobicContact CE3-CD2 3.48Å; W278-L310 VanDerWaalsContact CE3-CD2 3.48Å; W278-L310 HydrophobicContact CE3-CG 4.32Å; W278-L310 HydrophobicContact CZ3-CB 4.06Å; W278-L310 HydrophobicContact CZ3-CD2 3.65Å; W278-L310 HydrophobicContact CZ3-CG 3.99Å; F279-L310 HydrophobicContact CB-CD2 3.93Å; F279-L310 HydrophobicContact CD2-CD1 4.29Å; L282-L310 HydrophobicContact CD1-CD2 4.3Å; L282-L310 HydrophobicContact CD1-CG 4.14Å; Y306-L310 HydrophobicContact CE1-CB 4.05Å; Y306-L310 HydrophobicContact CE1-CD2 3.9Å; Y306-L310 PolarHBondContact O-N 3.49Å; R307-L310 PolarHBondContact O-N 2.85Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 2.83Å; L310-Q312 VanDerWaalsContact C-N 3.29Å; L310-Q312 PolarHBondContact O-N 2.88Å; L310-A313 PolarHBondContact O-N 2.85Å; L310-M314 PolarHBondContact O-N 2.72Å; L310-F343 HydrophobicContact CD1-CD2 4.42Å
311I91.8Very high84.2Confident9 Ų949.7 Ų49.75%0.04626%0.257CS..Hα-helixtrans-60.2-43.7172.1-70.7164.1000110.2W278 L282 L288 P289 V291 R307 V308 A313 M314 R315W278-I311 HydrophobicContact CH2-CD1 3.56Å; W278-I311 HydrophobicContact CH2-CG1 3.58Å; W278-I311 HydrophobicContact CZ2-CD1 4.17Å; W278-I311 HydrophobicContact CZ3-CG1 4.19Å; L282-I311 HydrophobicContact CD1-CG1 3.98Å; L282-I311 HydrophobicContact CD2-CG1 4.3Å; L288-I311 HydrophobicContact CB-CG2 4.47Å; P289-I311 HydrophobicContact CB-CD1 4.31Å; P289-I311 HydrophobicContact CG-CD1 4.35Å; V291-I311 HydrophobicContact CG2-CB 4.1Å; V291-I311 HydrophobicContact CG2-CD1 3.73Å; V291-I311 HydrophobicContact CG2-CG2 3.75Å; R307-I311 WeakPolarHBondContact O-CG1 3.4Å; R307-I311 PolarHBondContact O-N 3.2Å; V308-I311 PolarHBondContact O-N 2.63Å; I311-A313 VanDerWaalsContact C-N 3.35Å; I311-A313 PolarHBondContact O-N 2.93Å; I311-M314 PolarHBondContact O-N 2.84Å; I311-R315 PolarHBondContact O-N 3.24Å
312Q89.1Confident84.5Confident93 Ų9348.7 Ų48.744%0.43526%0.255SS..Hα-helixtrans-62.8-42.1179.1-171.460.620.500111.6V308 K309 L310 M314 R315 T316V308-Q312 WeakPolarHBondContact O-CB 3.44Å; V308-Q312 PolarHBondContact O-N 2.76Å; K309-Q312 PolarHBondContact O-N 2.96Å; L310-Q312 VanDerWaalsContact C-N 3.29Å; L310-Q312 PolarHBondContact O-N 2.88Å; Q312-M314 PolarHBondContact O-N 2.7Å; Q312-R315 WeakPolarHBondContact O-CB 3.28Å; Q312-R315 PolarHBondContact O-N 3.34Å; Q312-T316 PolarHBondContact O-N 3.12Å; Q312-T316 PolarHBondContact O-OG1 3.46Å; Q312-T316 VanDerWaalsContact O-OG1 3.05Å
313A89.1Confident84.6Confident3 Ų345.5 Ų45.53%0.02523%0.229CC..Hα-helixtrans-62.2-40.9176.200000112.4L241 V262 I264 K309 L310 I311 T316 L317L241-A313 HydrophobicContact CD2-CB 4.2Å; V262-A313 HydrophobicContact CB-CB 4.29Å; V262-A313 HydrophobicContact CG1-CB 3.73Å; I264-A313 HydrophobicContact CG1-CB 3.81Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 3.38Å; L310-A313 PolarHBondContact O-N 2.85Å; I311-A313 VanDerWaalsContact C-N 3.35Å; I311-A313 PolarHBondContact O-N 2.93Å; A313-T316 PolarHBondContact O-N 3.02Å; A313-L317 PolarHBondContact O-N 2.94Å
314M90.7Very high84.8Confident7 Ų749.3 Ų49.33%0.03425%0.25CC..Hα-helixtrans-63.6-44.2174.1-70.9-175.37500111.5L241 F279 L282 L288 L310 I311 Q312 T316 L317 Q318 L326L241-M314 HydrophobicContact CD2-CB 4.24Å; L241-M314 HydrophobicContact CD2-CG 3.46Å; L241-M314 VanDerWaalsContact CD2-CG 3.46Å; F279-M314 HydrophobicContact CD2-SD 4.3Å; F279-M314 HydrophobicContact CE2-SD 4.45Å; L282-M314 HydrophobicContact CB-CE 4.18Å; L282-M314 HydrophobicContact CB-SD 3.69Å; L282-M314 HydrophobicContact CD1-SD 3.57Å; L282-M314 VanDerWaalsContact CD1-SD 3.57Å; L282-M314 HydrophobicContact CG-SD 4.31Å; L288-M314 HydrophobicContact CD1-CB 3.56Å; L288-M314 HydrophobicContact CD2-CB 4.25Å; L288-M314 HydrophobicContact CD2-CE 3.87Å; L288-M314 HydrophobicContact CD2-SD 3.82Å; L310-M314 PolarHBondContact O-N 2.72Å; I311-M314 PolarHBondContact O-N 2.84Å; Q312-M314 PolarHBondContact O-N 2.7Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 3.36Å; M314-L317 PolarHBondContact O-N 3.01Å; M314-Q318 VanDerWaalsContact O-CG 3.31Å; M314-Q318 WeakPolarHBondContact O-CG 3.44Å; M314-Q318 PolarHBondContact O-N 2.91Å; M314-L326 HydrophobicContact CE-CD1 4.5Å
315R88.1Confident84.9Confident55 Ų5549.6 Ų49.621%0.20825%0.252CS..Hα-helixtrans-59-44.7174.4-76.4-172.1177.5123.19.4112.2L288 P289 I311 Q312 L317 Q318 E319L288-R315 HydrophobicContact CD1-CG 3.76Å; P289-R315 PolarHBondContact O-NH2 3.35Å; I311-R315 PolarHBondContact O-N 3.24Å; Q312-R315 WeakPolarHBondContact O-CB 3.28Å; Q312-R315 PolarHBondContact O-N 3.34Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.34Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 VanDerWaalsContact O-N 3.12Å; R315-E319 WeakPolarHBondContact O-CB 3.46Å; R315-E319 VanDerWaalsContact O-CG 3.3Å; R315-E319 WeakPolarHBondContact O-CG 3.48Å; R315-E319 PolarHBondContact O-N 3.16Å
316T84.5Confident85Confident40 Ų4048 Ų4825%0.24524%0.241CC..Hα-helixtrans-59.2-42177-61.50000111.2V262 Q312 A313 M314 E319 I320V262-T316 HydrophobicContact CG1-CG2 4.46Å; V262-T316 HydrophobicContact CG2-CG2 3.88Å; Q312-T316 PolarHBondContact O-N 3.12Å; Q312-T316 PolarHBondContact O-OG1 3.46Å; Q312-T316 VanDerWaalsContact O-OG1 3.05Å; A313-T316 PolarHBondContact O-N 3.02Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 3.36Å; T316-E319 PolarHBondContact O-N 2.85Å; T316-I320 HydrophobicContact CG2-CD1 3.69Å; T316-I320 HydrophobicContact CG2-CG1 4.4Å; T316-I320 WeakPolarHBondContact O-CB 3.46Å; T316-I320 WeakPolarHBondContact O-CD1 2.95Å; T316-I320 WeakPolarHBondContact O-CG1 3.46Å; T316-I320 PolarHBondContact O-N 2.96Å
317L83.9Confident85Confident0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-66.2-40.6173.6-75.9176.6000112.9L241 A243 P260 V262 A313 M314 R315 E319 I320 L321 L326L241-L317 HydrophobicContact CB-CD1 4.28Å; L241-L317 HydrophobicContact CD2-CD1 3.58Å; L241-L317 HydrophobicContact CG-CD1 3.53Å; A243-L317 HydrophobicContact CB-CD1 4.01Å; A243-L317 HydrophobicContact CB-CD2 4.35Å; P260-L317 HydrophobicContact CB-CD2 3.9Å; V262-L317 HydrophobicContact CB-CG 4.48Å; V262-L317 HydrophobicContact CG2-CD2 3.74Å; V262-L317 HydrophobicContact CG2-CG 3.73Å; A313-L317 PolarHBondContact O-N 2.94Å; M314-L317 PolarHBondContact O-N 3.01Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.34Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.47Å; L317-I320 PolarHBondContact O-N 2.51Å; L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 2.99Å; L317-L321 PolarHBondContact O-N 3.27Å; L317-L326 HydrophobicContact CB-CD1 3.94Å; L317-L326 HydrophobicContact CB-CD2 4.28Å; L317-L326 HydrophobicContact CD1-CD1 4.49Å
318Q85Confident84.9Confident33 Ų3350 Ų5015%0.15426%0.262CS..Hα-helixtrans-60.6-41.9175.4-70.1172.4-27.800111.5M314 R315 G322 Q323 D324 L326M314-Q318 VanDerWaalsContact O-CG 3.31Å; M314-Q318 WeakPolarHBondContact O-CG 3.44Å; M314-Q318 PolarHBondContact O-N 2.91Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 VanDerWaalsContact O-N 3.12Å; Q318-G322 VanDerWaalsContact O-CA 3.31Å; Q318-G322 WeakPolarHBondContact O-CA 3.19Å; Q318-G322 PolarHBondContact O-N 3.05Å; Q318-Q323 WeakPolarHBondContact CA-O 3.46Å; Q318-Q323 VanDerWaalsContact CB-O 3.22Å; Q318-Q323 WeakPolarHBondContact CB-O 3.23Å; Q318-Q323 VanDerWaalsContact CG-O 3.26Å; Q318-Q323 WeakPolarHBondContact CG-O 3.32Å; Q318-Q323 PolarHBondContact O-N 2.97Å; Q318-D324 PolarHBondContact NE2-O 3.26Å; Q318-L326 HydrophobicContact CG-CD1 4.17Å; Q318-L326 HydrophobicContact CG-CD2 4.21Å; Q318-L326 HydrophobicContact CG-CG 4.02Å
319E80Confident85Confident122 Ų12249 Ų4957%0.5726%0.258SS*.Hα-helixtrans-66.1-47.1177.2-73.8170.6-178.800111.9R315 T316 L317 G322R315-E319 WeakPolarHBondContact O-CB 3.46Å; R315-E319 VanDerWaalsContact O-CG 3.3Å; R315-E319 WeakPolarHBondContact O-CG 3.48Å; R315-E319 PolarHBondContact O-N 3.16Å; T316-E319 PolarHBondContact O-N 2.85Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.47Å; E319-G322 PolarHBondContact O-N 3.36Å
320I78.9Confident84.6Confident98 Ų9848.1 Ų48.150%0.50326%0.255SS..Hα-helixtrans-64.3-41.8179.3-70.2166.8000111.1T316 L317T316-I320 HydrophobicContact CG2-CD1 3.69Å; T316-I320 HydrophobicContact CG2-CG1 4.4Å; T316-I320 WeakPolarHBondContact O-CB 3.46Å; T316-I320 WeakPolarHBondContact O-CD1 2.95Å; T316-I320 WeakPolarHBondContact O-CG1 3.46Å; T316-I320 PolarHBondContact O-N 2.96Å; L317-I320 PolarHBondContact O-N 2.51Å
321L80.5Confident84.2Confident29 Ų2953.9 Ų53.915%0.15229%0.29CS..Hα-helixtrans-85.5-13.2-177.8-66.3172.5000113.3A243 M245 P260 L317 Q323 L326 F375A243-L321 HydrophobicContact CB-CD1 3.64Å; M245-L321 HydrophobicContact CG-CD1 4.34Å; M245-L321 HydrophobicContact CG-CD2 4.34Å; M245-L321 HydrophobicContact SD-CD1 4.22Å; P260-L321 HydrophobicContact CG-CD2 3.98Å; L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 2.99Å; L317-L321 PolarHBondContact O-N 3.27Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 HydrophobicContact CB-CB 4.45Å; L321-Q323 PolarHBondContact O-N 3.43Å; L321-L326 HydrophobicContact CD1-CD2 3.75Å; L321-F375 HydrophobicContact CD2-CZ 4.41Å
322G74.6Confident83.7Confident30 Ų3061.7 Ų61.731%0.30932%0.319SS..THydrogen-bonded Turntrans61.135.3-173.900000112.7Q318 E319Q318-G322 VanDerWaalsContact O-CA 3.31Å; Q318-G322 WeakPolarHBondContact O-CA 3.19Å; Q318-G322 PolarHBondContact O-N 3.05Å; E319-G322 PolarHBondContact O-N 3.36Å
323Q77Confident83.3Confident31 Ų3158.6 Ų58.615%0.14531%0.307CS..  trans-136.5124.6-176.8-67.2-67-72.800109.9Q318 L321 D325Q318-Q323 WeakPolarHBondContact CA-O 3.46Å; Q318-Q323 VanDerWaalsContact CB-O 3.22Å; Q318-Q323 WeakPolarHBondContact CB-O 3.23Å; Q318-Q323 VanDerWaalsContact CG-O 3.26Å; Q318-Q323 WeakPolarHBondContact CG-O 3.32Å; Q318-Q323 PolarHBondContact O-N 2.97Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 HydrophobicContact CB-CB 4.45Å; L321-Q323 PolarHBondContact O-N 3.43Å; Q323-D325 VanDerWaalsContact C-N 3.34Å
324D84.5Confident82.8Confident142 Ų14262.2 Ų62.276%0.75933%0.325SS*.SBendtrans-69.3-37.4173.2-60.1-43.5000111.2Q318Q318-D324 PolarHBondContact NE2-O 3.26Å
325D82.6Confident82.4Confident88 Ų8865.7 Ų65.747%0.47135%0.347SS..  trans-93.9120.117816639.6000110.5Q323 G327 K347Q323-D325 VanDerWaalsContact C-N 3.34Å; D325-G327 WeakPolarHBondContact OD1-CA 3.4Å; D325-G327 PolarHBondContact OD1-N 3.09Å; D325-K347 WeakPolarHBondContact O-CD 3.13Å; D325-K347 WeakPolarHBondContact O-CE 3.04Å; D325-K347 PolarHBondContact O-NZ 3.04Å; D325-K347 WeakPolarHBondContact OD2-CE 3.35Å; D325-K347 IonicContact OD2-NZ 2.73Å; D325-K347 PolarHBondContact OD2-NZ 2.92Å
326L85.7Confident81.5Confident7 Ų765.6 Ų65.64%0.03735%0.35CS..  trans-94.23.7177-62.9179.9000113.1M314 L317 Q318 L321 T345M314-L326 HydrophobicContact CE-CD1 4.5Å; L317-L326 HydrophobicContact CB-CD1 3.94Å; L317-L326 HydrophobicContact CB-CD2 4.28Å; L317-L326 HydrophobicContact CD1-CD1 4.49Å; Q318-L326 HydrophobicContact CG-CD1 4.17Å; Q318-L326 HydrophobicContact CG-CD2 4.21Å; Q318-L326 HydrophobicContact CG-CG 4.02Å; L321-L326 HydrophobicContact CD1-CD2 3.75Å; L326-T345 HydrophobicContact CB-CG2 4.18Å; L326-T345 VanDerWaalsContact O-CB 3.26Å; L326-T345 WeakPolarHBondContact O-CB 3.06Å; L326-T345 PolarHBondContact O-OG1 3.24Å; L326-T345 VanDerWaalsContact O-OG1 3.08Å
327G84.8Confident80.8Confident17 Ų1774 Ų7418%0.17538%0.378CS..  trans83.2-153.2179.900000113.7D325D325-G327 WeakPolarHBondContact OD1-CA 3.4Å; D325-G327 PolarHBondContact OD1-N 3.09Å
328I85.7Confident80.1Confident124 Ų12478.7 Ų78.764%0.63640%0.403SS*.EExtended strand (participates in β ladder)trans-85.3143.7-175.457.8168.8000111.1T345 V346I328-T345 CarbonylContact O-C 3.56Å; I328-T345 VanDerWaalsContact O-CA 3.26Å; I328-T345 WeakPolarHBondContact O-CA 3.47Å; I328-V346 HydrophobicContact CG1-CB 4.31Å; I328-V346 VanDerWaalsContact CG1-O 3.29Å; I328-V346 WeakPolarHBondContact CG1-O 3.29Å; I328-V346 PolarHBondContact N-O 2.81Å; I328-V346 PolarHBondContact O-N 2.95Å
329A89.1Confident79.4Confident21 Ų2183.7 Ų83.717%0.17443%0.426CS..EExtended strand (participates in β ladder)trans-72.4140.3170.100000110.8F279 L280 C283F279-A329 HydrophobicContact CD1-CB 4.41Å; F279-A329 HydrophobicContact CE1-CB 3.61Å; F279-A329 HydrophobicContact CZ-CB 4.05Å; L280-A329 HydrophobicContact CD2-CB 3.44Å; L280-A329 VanDerWaalsContact CD2-CB 3.44Å; C283-A329 HydrophobicContact CB-CB 4.14Å
330H81.8Confident79.3Confident62 Ų6278.8 Ų78.829%0.28740%0.404SS..PPolyproline II helixtrans-62145.4166-177-97.8000109.7F276 R332 V344F276-H330 VanDerWaalsContact CZ-O 3.25Å; F276-H330 WeakPolarHBondContact CZ-O 3.4Å; H330-R332 PolarHBondContact ND1-N 3.16Å; H330-R332 PolarHBondContact ND1-O 2.68Å; H330-R332 PolarHBondContact O-N 2.96Å; H330-R332 VanDerWaalsContact O-N 3.14Å; H330-V344 HydrophobicContact CB-CB 3.88Å; H330-V344 HydrophobicContact CB-CG1 4.47Å; H330-V344 WeakPolarHBondContact CB-O 3.15Å; H330-V344 PolarHBondContact N-O 3.17Å
331V81.4Confident79.5Confident121 Ų12174.1 Ų74.173%0.73338%0.38SS*.SBendtrans-64.2-24.1-168.1-176.80000114F276F276-V331 WeakPolarHBondContact CE1-O 3.15Å
332R80Confident79.7Confident172 Ų17273.3 Ų73.365%0.64938%0.376SS*.SBendtrans-144.4152.8-179.261.2-178.712796.12112.2F276 H330F276-R332 VanDerWaalsContact CZ-CA 3.49Å; H330-R332 PolarHBondContact ND1-N 3.16Å; H330-R332 PolarHBondContact ND1-O 2.68Å; H330-R332 PolarHBondContact O-N 2.96Å; H330-R332 VanDerWaalsContact O-N 3.14Å
333P82.1Confident80.5Confident29 Ų2971.9 Ų71.919%0.18836%0.361CS..  trans-64141.8170.828.9-34.5000110.1I272 F276 V335 F343I272-P333 HydrophobicContact CG2-CB 4.05Å; I272-P333 HydrophobicContact CG2-CG 3.62Å; F276-P333 HydrophobicContact CD2-CB 4.14Å; F276-P333 HydrophobicContact CD2-CG 4.37Å; F276-P333 HydrophobicContact CE2-CB 4.5Å; F276-P333 HydrophobicContact CG-CG 4.28Å; P333-V335 HydrophobicContact CB-CG2 4.48Å; P333-F343 HydrophobicContact CB-CD1 3.85Å; P333-F343 HydrophobicContact CB-CE1 3.75Å
334I78.9Confident81Confident78 Ų7871 Ų7140%0.436%0.358SS..EExtended strand (participates in β ladder)trans-89.9116.6173.5-57.6-179.8000107.2A341 V342 V344I334-A341 CarbonylContact O-C 3.55Å; I334-A341 VanDerWaalsContact O-CA 3.31Å; I334-A341 WeakPolarHBondContact O-CA 3.23Å; I334-V342 HydrophobicContact CB-CB 4.43Å; I334-V342 PolarHBondContact N-O 2.95Å; I334-V342 PolarHBondContact O-N 3.34Å; I334-V344 HydrophobicContact CD1-CG2 3.71Å; I334-V344 HydrophobicContact CG1-CG2 4.28Å
335V80.9Confident81.3Confident80 Ų8064.2 Ų64.249%0.48532%0.322SS..EExtended strand (participates in β ladder)trans-113.2130.4-177.7-171.40000109.6P333 N340 A341P333-V335 HydrophobicContact CB-CG2 4.48Å; V335-N340 CarbonylContact C-O 3.58Å; V335-N340 VanDerWaalsContact CA-O 3.28Å; V335-N340 WeakPolarHBondContact CA-O 3.48Å; V335-A341 HydrophobicContact CG2-CB 4.16Å
336D70.6Confident81.5Confident53 Ų5362 Ų6228%0.28331%0.311SS..  trans-94.9167.7175.3-177.329.3000111.7L221 N338 E339 N340L221-D336 HydrophobicContact CD1-CB 3.41Å; L221-D336 VanDerWaalsContact CD1-CB 3.41Å; L221-D336 HydrophobicContact CG-CB 4.24Å; D336-N338 PolarHBondContact O-N 2.86Å; D336-N338 VanDerWaalsContact O-N 3.14Å; D336-N338 PolarHBondContact OD2-ND2 2.89Å; D336-E339 PolarHBondContact O-N 3.06Å; D336-N340 HydrophobicContact CB-CB 4.45Å; D336-N340 PolarHBondContact N-O 2.91Å
337R68.7Low81.4Confident218 Ų21862.2 Ų62.282%0.82331%0.312SS*.THydrogen-bonded Turntrans-56.4-26.2176.9-62-178.9178.4-158.3-7.2113.7E339R337-E339 PolarHBondContact O-N 2.91Å
338N69.7Low81.2Confident98 Ų9863.3 Ų63.352%0.52431%0.314SS..THydrogen-bonded Turntrans-87.217.1177.7-58.6-37.6000112.7D336 N340D336-N338 PolarHBondContact O-N 2.86Å; D336-N338 VanDerWaalsContact O-N 3.14Å; D336-N338 PolarHBondContact OD2-ND2 2.89Å; N338-N340 PolarHBondContact O-N 2.95Å
339E71.2Confident80.9Confident137 Ų13759.5 Ų59.564%0.6430%0.296SS*.SBendtrans59.514.3-176.5-55.6-172.9161.100114.9D336 R337D336-E339 PolarHBondContact O-N 3.06Å; R337-E339 PolarHBondContact O-N 2.91Å
340N77.9Confident79.9Confident20 Ų2063.5 Ų63.511%0.10731%0.311CS..  trans-70.1136.2169.5-68-41.4000109.3L221 K236 S237 G238 Y240 V335 D336 N338L221-N340 HydrophobicContact CD1-CB 3.88Å; K236-N340 PolarHBondContact O-OD1 2.85Å; S237-N340 WeakPolarHBondContact CA-OD1 3.2Å; G238-N340 PolarHBondContact N-OD1 3.22Å; G238-N340 WeakPolarHBondContact O-CA 3.4Å; Y240-N340 HydrophobicContact CE2-CB 4.38Å; V335-N340 CarbonylContact C-O 3.58Å; V335-N340 VanDerWaalsContact CA-O 3.28Å; V335-N340 WeakPolarHBondContact CA-O 3.48Å; D336-N340 HydrophobicContact CB-CB 4.45Å; D336-N340 PolarHBondContact N-O 2.91Å; N338-N340 PolarHBondContact O-N 2.95Å
341A82.4Confident78.7Confident0 Ų064.7 Ų64.70%033%0.326CS..EExtended strand (participates in β ladder)trans-119.8144.4175.200000111.2G238 L239 Y240 I272 I334 V335G238-A341 PolarHBondContact O-N 2.79Å; L239-A341 WeakPolarHBondContact CA-O 3.47Å; L239-A341 HydrophobicContact CD1-CB 3.33Å; L239-A341 WeakPolarHBondContact CD1-O 3.38Å; Y240-A341 WeakPolarHBondContact CD2-O 3.2Å; Y240-A341 PolarHBondContact N-O 2.88Å; I272-A341 HydrophobicContact CD1-CB 3.69Å; I272-A341 HydrophobicContact CG1-CB 3.76Å; I334-A341 CarbonylContact O-C 3.55Å; I334-A341 VanDerWaalsContact O-CA 3.31Å; I334-A341 WeakPolarHBondContact O-CA 3.23Å; V335-A341 HydrophobicContact CG2-CB 4.16Å
342V85.2Confident77.3Confident11 Ų1160.6 Ų60.67%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-128.1123.3177.6-169.50000109L221 Y240 A242 I334 V344L221-V342 HydrophobicContact CD1-CG2 4.3Å; L221-V342 HydrophobicContact CD2-CG2 3.86Å; Y240-V342 HydrophobicContact CD2-CG2 4.49Å; Y240-V342 CarbonylContact O-C 3.54Å; Y240-V342 WeakPolarHBondContact O-CA 3.21Å; A242-V342 HydrophobicContact CB-CG1 3.76Å; I334-V342 HydrophobicContact CB-CB 4.43Å; I334-V342 PolarHBondContact N-O 2.95Å; I334-V342 PolarHBondContact O-N 3.34Å; V342-V344 HydrophobicContact CG1-CG2 3.97Å
343F90.4Very high75.4Confident0 Ų063.5 Ų63.50%031%0.314CS..EExtended strand (participates in β ladder)trans-87.5135.5166.2-64.1-4.9000107.7L239 Y240 L241 A242 I264 I272 Q275 F276 F279 L310 P333L239-F343 HydrophobicContact CD1-CD1 4.03Å; L239-F343 HydrophobicContact CD1-CE1 3.65Å; L239-F343 HydrophobicContact CD1-CZ 3.93Å; L239-F343 HydrophobicContact CD2-CE1 4.5Å; L239-F343 HydrophobicContact CD2-CE2 4.11Å; L239-F343 HydrophobicContact CD2-CZ 3.96Å; Y240-F343 PolarHBondContact O-N 2.93Å; L241-F343 CarbonylContact C-O 3.48Å; L241-F343 WeakPolarHBondContact CA-O 3.44Å; L241-F343 HydrophobicContact CD1-CB 3.81Å; A242-F343 PolarHBondContact N-O 3.28Å; I264-F343 HydrophobicContact CD1-CD2 4.32Å; I272-F343 HydrophobicContact CG2-CE1 4.49Å; Q275-F343 HydrophobicContact CB-CE2 4.33Å; Q275-F343 HydrophobicContact CB-CZ 4.16Å; F276-F343 HydrophobicContact CB-CE1 3.87Å; F276-F343 HydrophobicContact CB-CE2 4.39Å; F276-F343 HydrophobicContact CB-CZ 3.7Å; F276-F343 AromaticContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD2 4.44Å; F276-F343 AromaticContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE2 4.44Å; F276-F343 HydrophobicContact CD2-CG 4.06Å; F276-F343 HydrophobicContact CD2-CZ 4.08Å; F276-F343 HydrophobicContact CE2-CD1 4.33Å; F276-F343 HydrophobicContact CG-CE1 4.22Å; F276-F343 HydrophobicContact CG-CZ 4.41Å; F279-F343 HydrophobicContact CB-CD2 3.75Å; F279-F343 HydrophobicContact CB-CE2 3.89Å; F279-F343 HydrophobicContact CD1-CB 4.07Å; F279-F343 AromaticContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CG 4.11Å; F279-F343 HydrophobicContact CD2-CD2 4.17Å; F279-F343 HydrophobicContact CE1-CB 3.91Å; F279-F343 HydrophobicContact CE1-CG 4.43Å; F279-F343 HydrophobicContact CE2-CB 4.4Å; F279-F343 HydrophobicContact CG-CB 4.37Å; F279-F343 AromaticContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CE2 4.32Å; F279-F343 HydrophobicContact CG-CG 4.29Å; F279-F343 HydrophobicContact CZ-CB 4.07Å; L310-F343 HydrophobicContact CD1-CD2 4.42Å; P333-F343 HydrophobicContact CB-CD1 3.85Å; P333-F343 HydrophobicContact CB-CE1 3.75Å
344V88.3Confident73.2Confident13 Ų1367.2 Ų67.28%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-126.1131.9-172.2-176.30000109A242 V244 H330 I334 V342 V346A242-V344 HydrophobicContact CB-CG2 4.28Å; A242-V344 CarbonylContact O-C 3.5Å; A242-V344 WeakPolarHBondContact O-CA 3.31Å; V244-V344 HydrophobicContact CG2-CG1 3.71Å; H330-V344 HydrophobicContact CB-CB 3.88Å; H330-V344 HydrophobicContact CB-CG1 4.47Å; H330-V344 WeakPolarHBondContact CB-O 3.15Å; H330-V344 PolarHBondContact N-O 3.17Å; I334-V344 HydrophobicContact CD1-CG2 3.71Å; I334-V344 HydrophobicContact CG1-CG2 4.28Å; V342-V344 HydrophobicContact CG1-CG2 3.97Å; V344-V346 HydrophobicContact CG1-CG2 4.27Å
345T90Very high71.1Confident0 Ų066.7 Ų66.70%034%0.338CS..EExtended strand (participates in β ladder)trans-104151.5163.169.70000110.3A242 A243 V244 F279 L326 I328A242-T345 PolarHBondContact O-N 3.15Å; A243-T345 WeakPolarHBondContact CA-OG1 3.08Å; V244-T345 WeakPolarHBondContact CB-O 3.43Å; V244-T345 PolarHBondContact N-O 3.07Å; F279-T345 HydrophobicContact CE2-CG2 4.08Å; F279-T345 HydrophobicContact CZ-CG2 3.7Å; L326-T345 HydrophobicContact CB-CG2 4.18Å; L326-T345 VanDerWaalsContact O-CB 3.26Å; L326-T345 WeakPolarHBondContact O-CB 3.06Å; L326-T345 PolarHBondContact O-OG1 3.24Å; L326-T345 VanDerWaalsContact O-OG1 3.08Å; I328-T345 CarbonylContact O-C 3.56Å; I328-T345 VanDerWaalsContact O-CA 3.26Å; I328-T345 WeakPolarHBondContact O-CA 3.47Å
346V87.6Confident68.5Low40 Ų4067.6 Ų67.624%0.24235%0.345CS..EExtended strand (participates in β ladder)trans-132.9125.8179.5-172.30000108.9V244 Y246 I328 V344V244-V346 HydrophobicContact CB-CG2 4.36Å; V244-V346 CarbonylContact O-C 3.56Å; V244-V346 VanDerWaalsContact O-CA 3.26Å; V244-V346 WeakPolarHBondContact O-CA 3.41Å; Y246-V346 HydrophobicContact CD1-CG1 3.84Å; Y246-V346 HydrophobicContact CE1-CG1 3.83Å; I328-V346 HydrophobicContact CG1-CB 4.31Å; I328-V346 VanDerWaalsContact CG1-O 3.29Å; I328-V346 WeakPolarHBondContact CG1-O 3.29Å; I328-V346 PolarHBondContact N-O 2.81Å; I328-V346 PolarHBondContact O-N 2.95Å; V344-V346 HydrophobicContact CG1-CG2 4.27Å
347K83.9Confident66.6Low13 Ų1370.8 Ų70.86%0.05737%0.366CS..EExtended strand (participates in β ladder)trans-134.3131.8179.8-179.1161.8166.1165.30112.7V244 M245 Y246 D325V244-K347 PolarHBondContact O-N 3.37Å; M245-K347 WeakPolarHBondContact CA-O 2.99Å; M245-K347 HydrophobicContact CE-CB 3.78Å; M245-K347 HydrophobicContact CE-CD 3.68Å; M245-K347 HydrophobicContact CE-CG 3.78Å; M245-K347 HydrophobicContact SD-CB 3.69Å; M245-K347 HydrophobicContact SD-CD 4.43Å; M245-K347 HydrophobicContact SD-CG 4.36Å; Y246-K347 VanDerWaalsContact CD1-O 3.25Å; Y246-K347 WeakPolarHBondContact CD1-O 3.12Å; Y246-K347 PolarHBondContact N-O 3.37Å; D325-K347 WeakPolarHBondContact O-CD 3.13Å; D325-K347 WeakPolarHBondContact O-CE 3.04Å; D325-K347 PolarHBondContact O-NZ 3.04Å; D325-K347 WeakPolarHBondContact OD2-CE 3.35Å; D325-K347 IonicContact OD2-NZ 2.73Å; D325-K347 PolarHBondContact OD2-NZ 2.92Å
348N80.5Confident64.6Low40 Ų4071 Ų7121%0.21437%0.369CS..EExtended strand (participates in β ladder)trans-78.2121.2164.3-168.2-13.4000109.3Y246 E350 S351Y246-N348 HydrophobicContact CE1-CB 3.83Å; Y246-N348 HydrophobicContact CE2-CB 3.97Å; Y246-N348 WeakPolarHBondContact O-CA 3.38Å; Y246-N348 PolarHBondContact O-OD1 2.97Å; N348-E350 VanDerWaalsContact C-N 3.3Å; N348-E350 WeakPolarHBondContact OD1-CB 3.37Å; N348-E350 PolarHBondContact OD1-N 2.88Å; N348-S351 PolarHBondContact O-OG 3.29Å
349V78.3Confident62.5Low43 Ų4369.4 Ų69.426%0.26137%0.365SS..SBendtrans-79-15178.6-172.10000111.7M245 Y246 L252 S352M245-V349 HydrophobicContact CB-CG2 3.99Å; M245-V349 HydrophobicContact CE-CG2 3.62Å; Y246-V349 PolarHBondContact O-N 3.34Å; L252-V349 HydrophobicContact CD1-CG2 3.8Å; V349-S352 PolarHBondContact O-OG 3.04Å
350E67.7Low60.4Low106 Ų10668.2 Ų68.250%0.49537%0.37SS..THydrogen-bonded Turntrans-74.4-26177.3-60.5-175.8157.200113R247 G248 N348 S352R247-E350 HydrophobicContact CG-CG 3.68Å; R247-E350 VanDerWaalsContact CG-OE1 3.22Å; R247-E350 WeakPolarHBondContact CG-OE1 3.17Å; R247-E350 IonicContact NE-OE1 3.58Å; G248-E350 PolarHBondContact N-OE1 2.87Å; N348-E350 VanDerWaalsContact C-N 3.3Å; N348-E350 WeakPolarHBondContact OD1-CB 3.37Å; N348-E350 PolarHBondContact OD1-N 2.88Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 2.65Å
351S57.2Low57.9Low87 Ų8776.6 Ų76.661%0.60840%0.4SS*.THydrogen-bonded Turntrans-77.7-10.4-178.751.90000114.1N348 R353N348-S351 PolarHBondContact O-OG 3.29Å; S351-R353 PolarHBondContact O-N 3.26Å
352S52.4Low55.4Low35 Ų3578.7 Ų78.725%0.24541%0.411CS..SBendtrans-7593.9172.257.90000109.6V349 E350 S354V349-S352 PolarHBondContact O-OG 3.04Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 2.65Å; S352-S354 PolarHBondContact O-N 3.31Å
353R38.8Very low52.5Low233 Ų23384 Ų8488%0.87944%0.438SS*.  trans-53.8124.5170.6-75-176.4176.1-157-0.7109.7S351S351-R353 PolarHBondContact O-N 3.26Å
354S36.4Very low49.4Very low106 Ų10687.7 Ų87.774%0.74146%0.457SS*.  trans46.287.1164.161.10000115.9S352 P356S352-S354 PolarHBondContact O-N 3.31Å; S354-P356 VanDerWaalsContact O-CD 3.29Å; S354-P356 WeakPolarHBondContact O-CD 3.06Å
355I34.5Very low46.5Very low68 Ų6890.8 Ų90.835%0.34948%0.477SS..  trans-75.8116.1158.4-59.8167.5000106.9V357 L362I355-V357 PolarHBondContact O-N 2.95Å; I355-L362 HydrophobicContact CD1-CD1 3.84Å; I355-L362 HydrophobicContact CD1-CD2 3.66Å; I355-L362 HydrophobicContact CD1-CG 4.41Å; I355-L362 HydrophobicContact CG2-CD1 4.1Å; I355-L362 HydrophobicContact CG2-CD2 4.23Å
356P27.1Very low43.6Very low98 Ų9896.6 Ų96.664%0.63651%0.507SS*.  trans-68.2128.8170.9-1026.7000108.3S354 Y358S354-P356 VanDerWaalsContact O-CD 3.29Å; S354-P356 WeakPolarHBondContact O-CD 3.06Å; P356-Y358 PolarHBondContact O-N 2.58Å
357V30.3Very low40.6Very low120 Ų120102 Ų10273%0.72753%0.534SS*.THydrogen-bonded Turntrans-66.218.9-174.6178.70000113.8I355I355-V357 PolarHBondContact O-N 2.95Å
358Y26.4Very low37.8Very low222 Ų222110.2 Ų110.287%0.87157%0.573SS**THydrogen-bonded Turntrans-108.99.6-178.2-68.3-70.7000115.3P356 P360P356-Y358 PolarHBondContact O-N 2.58Å; Y358-P360 WeakPolarHBondContact O-CD 3.11Å
359S25.3Very low35Very low65 Ų65111.7 Ų111.746%0.45560%0.597SS.*  trans-97.2111.4163.4-174.60000110.3R361 L362S359-R361 PolarHBondContact O-N 2.94Å; S359-L362 PolarHBondContact O-N 3.04Å; S359-L362 VanDerWaalsContact O-N 3.16Å
360P27.4Very low32.4Very low113 Ų113121.3 Ų121.373%0.73463%0.629SS**THydrogen-bonded Turntrans-62.5-5.3179.923.2-31.8000114.1Y358Y358-P360 WeakPolarHBondContact O-CD 3.11Å
361R25.7Very low30.2Very low196 Ų196121.7 Ų121.774%0.7464%0.644SS**THydrogen-bonded Turntrans-78.1-16174.7-74-174.4173.5-178.5-3.1114.5S359S359-R361 PolarHBondContact O-N 2.94Å
362L29.8Very low28.7Very low43 Ų43121.8 Ų121.823%0.22564%0.64CS.*SBendtrans-104.3-1.4-179.4-135.5128.5000114I355 S359 L364 T365I355-L362 HydrophobicContact CD1-CD1 3.84Å; I355-L362 HydrophobicContact CD1-CD2 3.66Å; I355-L362 HydrophobicContact CD1-CG 4.41Å; I355-L362 HydrophobicContact CG2-CD1 4.1Å; I355-L362 HydrophobicContact CG2-CD2 4.23Å; S359-L362 PolarHBondContact O-N 3.04Å; S359-L362 VanDerWaalsContact O-N 3.16Å; L362-L364 PolarHBondContact O-N 2.83Å; L362-T365 HydrophobicContact CD2-CG2 3.91Å; L362-T365 PolarHBondContact O-N 2.97Å; L362-T365 VanDerWaalsContact O-N 3.11Å; L362-T365 PolarHBondContact O-OG1 2.93Å
363L25.1Very low27.5Very low123 Ų123123.1 Ų123.164%0.64465%0.647SS**THydrogen-bonded Turntrans-6917.9175.4-97.7164.5000114.6
364L24.9Very low26.7Very low77 Ų77114.1 Ų114.140%0.40363%0.626SS.*THydrogen-bonded Turntrans-92.11.9164.8-54.5-173.9000112.5L362 L366 V372 V373L362-L364 PolarHBondContact O-N 2.83Å; L364-L366 PolarHBondContact O-N 2.74Å; L364-V372 HydrophobicContact CD1-CG1 3.93Å; L364-V372 HydrophobicContact CD2-CB 3.82Å; L364-V372 HydrophobicContact CD2-CG1 3.99Å; L364-V372 WeakPolarHBondContact CD2-O 2.96Å; L364-V373 HydrophobicContact CD1-CB 4.12Å
365T28.6Very low26.2Very low79 Ų79112.6 Ų112.649%0.48561%0.606SS.*SBendtrans-73.1108.9165.935.60000111.1L362 N367L362-T365 HydrophobicContact CD2-CG2 3.91Å; L362-T365 PolarHBondContact O-N 2.97Å; L362-T365 VanDerWaalsContact O-N 3.11Å; L362-T365 PolarHBondContact O-OG1 2.93Å; T365-N367 PolarHBondContact O-N 2.99Å
366L28.7Very low25.7Very low122 Ų122111.9 Ų111.964%0.63961%0.607SS**SBendtrans51.959.1140.7-67.3158000114.4L364L364-L366 PolarHBondContact O-N 2.74Å
367N23Very low25.6Very low152 Ų152110.5 Ų110.581%0.81360%0.597SS**  trans-143145.3160-106.6-28.9000113.4T365T365-N367 PolarHBondContact O-N 2.99Å
368Q25.3Very low25.2Very low187 Ų187112 Ų11287%0.87460%0.596SS**SBendtrans-49.5133-169.3-60.6169.56.900112.5
369G23.3Very low25Very low70 Ų70104.5 Ų104.572%0.72257%0.574SS**SBendtrans75.7104.8156.900000115.8
370R22Very low24.9Very low246 Ų246107.7 Ų107.793%0.92859%0.59SS**SBendtrans84.6104.8157.8-55.8-177.7171.9-176.5-2.5116.9
371S23.1Very low24.7Very low114 Ų114108.9 Ų108.980%0.79759%0.589SS**  trans6198141.1-156.90000117.9
372V24.2Very low24.7Very low88 Ų88105.6 Ų105.653%0.53359%0.587SS.*SBend-178.8121.8109.2163.90000105.3L364 G374L364-V372 HydrophobicContact CD1-CG1 3.93Å; L364-V372 HydrophobicContact CD2-CB 3.82Å; L364-V372 HydrophobicContact CD2-CG1 3.99Å; L364-V372 WeakPolarHBondContact CD2-O 2.96Å; V372-G374 PolarHBondContact O-N 3.24Å
373V27.5Very low24.5Very low64 Ų64114.6 Ų114.639%0.38862%0.617SS.*  trans41.561176.1-164.90000114.5F255 L364 F375F255-V373 HydrophobicContact CD1-CB 4.1Å; F255-V373 HydrophobicContact CD1-CG1 3.56Å; F255-V373 HydrophobicContact CD1-CG2 4.31Å; F255-V373 HydrophobicContact CE1-CG1 4.09Å; F255-V373 HydrophobicContact CE1-CG2 4.31Å; L364-V373 HydrophobicContact CD1-CB 4.12Å; V373-F375 PolarHBondContact O-N 2.84Å
374G22.9Very low24.8Very low44 Ų44118.7 Ų118.745%0.45463%0.63SS.*  trans-75.3115.1177.400000111.6F255 V372 S376F255-G374 WeakPolarHBondContact CA-O 3.36Å; F255-G374 WeakPolarHBondContact CB-O 3.42Å; V372-G374 PolarHBondContact O-N 3.24Å; G374-S376 PolarHBondContact O-N 3.4Å; G374-S376 VanDerWaalsContact O-N 3.16Å
375F24.4Very low25Very low73 Ų73120.5 Ų120.532%0.3264%0.644SS.*  trans-63.3113166.8-72.2-106.5000108.4L252 H253 L321 V373L252-F375 HydrophobicContact CB-CD1 3.92Å; L252-F375 HydrophobicContact CB-CE1 4.33Å; H253-F375 WeakPolarHBondContact O-CA 3.24Å; H253-F375 WeakPolarHBondContact O-CB 3.09Å; H253-F375 WeakPolarHBondContact O-CD1 3.27Å; H253-F375 VanDerWaalsContact O-CG 3.27Å; H253-F375 WeakPolarHBondContact O-CG 3.49Å; L321-F375 HydrophobicContact CD2-CZ 4.41Å; V373-F375 PolarHBondContact O-N 2.84Å
376S24.6Very low25Very low53 Ų53126.6 Ų126.637%0.37166%0.664SS.*  trans-84.6121.9175.5118.50000108.4D257 G374 Q378D257-S376 PolarHBondContact OD1-OG 2.99Å; G374-S376 PolarHBondContact O-N 3.4Å; G374-S376 VanDerWaalsContact O-N 3.16Å; S376-Q378 PolarHBondContact O-N 2.86Å
377V24.5Very low25.1Very low69 Ų69128.9 Ų128.942%0.41867%0.671SS.*  trans-91.784178.8-178.80000108.1K250 V379K250-V377 HydrophobicContact CD-CG1 3.63Å; V377-V379 HydrophobicContact CG1-CG2 3.98Å; V377-V379 PolarHBondContact O-N 3.04Å
378Q22.1Very low25.4Very low152 Ų152127.7 Ų127.771%0.7167%0.67SS**  trans-87.5101.2171.1-140.5179.411.200110.2S376 V380S376-Q378 PolarHBondContact O-N 2.86Å; Q378-V380 PolarHBondContact O-N 3.46Å
379V23.5Very low25.6Very low65 Ų65122.2 Ų122.239%0.39466%0.664SS.*  trans-76.9100.5173.1-179.20000108.3K250 V377 L381K250-V379 HydrophobicContact CD-CG2 4.07Å; K250-V379 VanDerWaalsContact CE-CG2 3.46Å; V377-V379 HydrophobicContact CG1-CG2 3.98Å; V377-V379 PolarHBondContact O-N 3.04Å; V379-L381 HydrophobicContact CG1-CB 3.81Å; V379-L381 HydrophobicContact CG1-CD1 3.37Å; V379-L381 HydrophobicContact CG1-CG 3.3Å; V379-L381 PolarHBondContact O-N 3.23Å
380V22.7Very low25.9Very low131 Ų131129.6 Ų129.679%0.79467%0.67SS**  trans-79.174.7160.1-173.40000107.6Q378Q378-V380 PolarHBondContact O-N 3.46Å
381L23.2Very low26.3Very low139 Ų139124.5 Ų124.573%0.72867%0.666SS**  trans-84.6112158.5-83165.3000105.8V379 R383V379-L381 HydrophobicContact CG1-CB 3.81Å; V379-L381 HydrophobicContact CG1-CD1 3.37Å; V379-L381 HydrophobicContact CG1-CG 3.3Å; V379-L381 PolarHBondContact O-N 3.23Å; L381-R383 PolarHBondContact O-N 2.98Å
382N24.8Very low26.8Very low127 Ų127124.7 Ų124.768%0.67966%0.658SS**  trans-57.8102.6169.8-113.7-15000108.2K384N382-K384 PolarHBondContact O-N 3.49Å
383R25.7Very low27Very low231 Ų231123.6 Ų123.687%0.87267%0.665SS**  trans-69.4112.6166.8-84.8-177.2173.9176.8-1.3107L381 T385L381-R383 PolarHBondContact O-N 2.98Å; R383-T385 PolarHBondContact O-N 3.47Å; R383-T385 VanDerWaalsContact O-N 3.15Å
384K30.9Very low27.3Very low210 Ų210128.2 Ų128.291%0.91368%0.682SS**  trans-64.8110149.4-99.7-178.2176.4176.20106.7N382 K386N382-K384 PolarHBondContact O-N 3.49Å; K384-K386 PolarHBondContact O-N 3.21Å
385T30.6Very low27.7Very low114 Ų114135.4 Ų135.470%0.69970%0.704SS**  trans-50123.1161.225.10000108.5R383 E387R383-T385 PolarHBondContact O-N 3.47Å; R383-T385 VanDerWaalsContact O-N 3.15Å; T385-E387 PolarHBondContact O-N 2.8Å
386K28.5Very low28Very low208 Ų208141 Ų14190%0.90472%0.722SS**  trans-63.287155.5-92.6-179.7168.6178.90106.5K384 T388K384-K386 PolarHBondContact O-N 3.21Å; K386-T388 VanDerWaalsContact C-N 3.33Å; K386-T388 PolarHBondContact O-N 3.36Å
387E30.8Very low28.3Very low169 Ų169146.6 Ų146.679%0.7974%0.736SS**  trans-84.493.9156-81.6-172.4167.800107.5T385T385-E387 PolarHBondContact O-N 2.8Å
388T29.6Very low28.6Very low128 Ų128149.9 Ų149.979%0.78575%0.751SS**  trans5.2130.1142.447.90000116.8K386K386-T388 VanDerWaalsContact C-N 3.33Å; K386-T388 PolarHBondContact O-N 3.36Å
389G27.9Very low29.6Very low72 Ų72152.3 Ų152.374%0.74279%0.785SS**  trans-54150.5-176.200000115.3
390R30.6Very low29.9Very low224 Ų224156.7 Ų156.785%0.84580%0.804SS**  trans-128.790.1146.5-128.1175.9-177.1167.61107.5N392R390-N392 PolarHBondContact O-N 3.24Å
391V30.8Very low30.3Very low140 Ų140158.1 Ų158.185%0.84881%0.805SS**  trans-61.894.8156175.90000105.7
392N32.4Very low30.7Very low118 Ų118159.1 Ų159.163%0.63181%0.809SS**  trans-105.181.7158.7-85.7-3.3000106.6R390 Q394R390-N392 PolarHBondContact O-N 3.24Å; N392-Q394 PolarHBondContact O-N 2.74Å
393G28.6Very low31Very low65 Ų65161 Ų16167%0.6782%0.817SS**  trans-62113.6151.300000107.3
394Q34.5Very low31.4Very low161 Ų161156.6 Ų156.675%0.75281%0.813SS**  trans-132.875.8161.5-139124.5-7.300108.3N392 R396N392-Q394 PolarHBondContact O-N 2.74Å; Q394-R396 PolarHBondContact O-N 3.02Å
395Q30.3Very low31.4Very low195 Ų195153.1 Ų153.191%0.91181%0.807SS**  trans-70.899.6157-167.8170.69.500107.5
396R31.3Very low31.4Very low189 Ų189155.9 Ų155.971%0.71381%0.814SS**  trans-166.5137.8163.4-80.2-159.4176.6177.1-1.1106.4Q394Q394-R396 PolarHBondContact O-N 3.02Å
397R31.4Very low31.7Very low172 Ų172151.8 Ų151.865%0.64981%0.807SS**  cis-169.1147.11.1-104.6178.7-168.9179.7-2.8105.3
398D30.8Very low31.7Very low138 Ų138150.4 Ų150.474%0.73881%0.809SS**  trans37.8108.8135.5-44.9-29.1000118.8
399S42.5Very low31.9Very low203 Ų203152.5 Ų152.5100%1.4281%0.811SS**  -1750127.8-67.30000108.6

Retrieved 399 of 399 residues in 226.1 ms (Link to these results)