A0A3Q0KLB4_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KLB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 918 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
1M30.3Very low54.2Low244 Ų244105.8 Ų105.8100%1.20262%0.622SS**  0790-77.7175.2158.100109.7
2V31.6Very low56.9Low118 Ų11897 Ų9772%0.71557%0.57SS**  trans-149.199.7147177.60000104.2Q4V2-Q4 VanDerWaalsContact C-N 3.32Å; V2-Q4 HydrophobicContact CG1-CB 4.31Å; V2-Q4 HydrophobicContact CG1-CG 3.78Å; V2-Q4 PolarHBondContact O-N 3.24Å
3S27.5Very low58.8Low114 Ų11494.7 Ų94.780%0.79756%0.558SS**  trans-85.282167.7520000107.4
4Q34.3Very low60.9Low159 Ų15994.7 Ų94.774%0.74356%0.559SS**  trans-76.8126.2163.1-92.1166.8-31.700107.3V2 C6V2-Q4 VanDerWaalsContact C-N 3.32Å; V2-Q4 HydrophobicContact CG1-CB 4.31Å; V2-Q4 HydrophobicContact CG1-CG 3.78Å; V2-Q4 PolarHBondContact O-N 3.24Å; Q4-C6 PolarHBondContact O-N 3.04Å
5N39.9Very low62.8Low150 Ų15089.2 Ų89.280%0.80253%0.526SS*.  trans-67100.5-178.6-68.5-29.7000108.8I7N5-I7 PolarHBondContact O-N 2.64Å
6C47.3Very low64.5Low128 Ų12885.3 Ų85.387%0.86550%0.5SS*.  trans-62.4107.5170.9-61.50000108.8Q4 S8Q4-C6 PolarHBondContact O-N 3.04Å; C6-S8 PolarHBondContact O-N 3.47Å
7I67.8Low66Low54 Ų5483.7 Ų83.728%0.27750%0.499SS..  trans-66.7126.1173.5-57.3-176.9000107.5N5 T11 F12 F103N5-I7 PolarHBondContact O-N 2.64Å; I7-T11 HydrophobicContact CG2-CG2 3.83Å; I7-F12 HydrophobicContact CB-CE2 4.05Å; I7-F12 HydrophobicContact CB-CZ 4.42Å; I7-F12 HydrophobicContact CG2-CD2 4.06Å; I7-F12 HydrophobicContact CG2-CE2 3.4Å; I7-F12 VanDerWaalsContact CG2-CE2 3.4Å; I7-F12 HydrophobicContact CG2-CZ 3.84Å; I7-F103 HydrophobicContact CD1-CE1 4.33Å; I7-F103 HydrophobicContact CD1-CZ 3.95Å; I7-F103 HydrophobicContact CG2-CZ 4.11Å
8S75.2Confident67.4Low61 Ų6185.2 Ų85.243%0.42750%0.498SS..  trans-78.3150.2-178.271.90000111.4C6 A10 T11C6-S8 PolarHBondContact O-N 3.47Å; S8-A10 PolarHBondContact O-N 2.8Å; S8-T11 WeakPolarHBondContact O-CA 3.49Å; S8-T11 WeakPolarHBondContact O-CB 3.41Å; S8-T11 PolarHBondContact O-N 3.2Å; S8-T11 PolarHBondContact O-OG1 3.19Å; S8-T11 PolarHBondContact OG-N 3.49Å; S8-T11 PolarHBondContact OG-OG1 3.26Å
9A77.1Confident68.8Low21 Ų2180.7 Ų80.717%0.17447%0.472CS..Hα-helixtrans-54-36.9172.300000112.4T11 F12 T13 V51 V57A9-T11 PolarHBondContact O-N 3.23Å; A9-F12 PolarHBondContact O-N 3.11Å; A9-F12 VanDerWaalsContact O-N 3.08Å; A9-T13 PolarHBondContact O-N 3.27Å; A9-T13 VanDerWaalsContact O-N 3.09Å; A9-T13 PolarHBondContact O-OG1 3.45Å; A9-V51 HydrophobicContact CB-CG1 3.73Å; A9-V57 HydrophobicContact CB-CG2 4.17Å
10A80.2Confident69.8Low62 Ų6280.2 Ų80.251%0.51247%0.467SS..Hα-helixtrans-58.6-27.5173.800000113.6S8 T14S8-A10 PolarHBondContact O-N 2.8Å; A10-T14 VanDerWaalsContact O-CB 3.29Å; A10-T14 WeakPolarHBondContact O-CB 3.44Å; A10-T14 PolarHBondContact O-N 3.44Å; A10-T14 PolarHBondContact O-OG1 3.28Å
11T85Confident70.8Confident53 Ų5383 Ų8333%0.32548%0.476SS..Hα-helixtrans-66.5-44.7174.5-50.60000111I7 S8 A9 T14 Q15 F103I7-T11 HydrophobicContact CG2-CG2 3.83Å; S8-T11 WeakPolarHBondContact O-CA 3.49Å; S8-T11 WeakPolarHBondContact O-CB 3.41Å; S8-T11 PolarHBondContact O-N 3.2Å; S8-T11 PolarHBondContact O-OG1 3.19Å; S8-T11 PolarHBondContact OG-N 3.49Å; S8-T11 PolarHBondContact OG-OG1 3.26Å; A9-T11 PolarHBondContact O-N 3.23Å; T11-T14 PolarHBondContact O-N 3.03Å; T11-Q15 WeakPolarHBondContact O-CB 3.31Å; T11-Q15 PolarHBondContact O-N 3.06Å; T11-F103 HydrophobicContact CG2-CE2 3.95Å; T11-F103 HydrophobicContact CG2-CZ 4.33Å
12F85.9Confident73.7Confident0 Ų072.9 Ų72.90%043%0.427CS..Hα-helixtrans-68.8-41.8177.7-67.1-79.1000112.3I7 A9 T14 Q15 K16 F47 V48 V51 V57 F103 Y104I7-F12 HydrophobicContact CB-CE2 4.05Å; I7-F12 HydrophobicContact CB-CZ 4.42Å; I7-F12 HydrophobicContact CG2-CD2 4.06Å; I7-F12 HydrophobicContact CG2-CE2 3.4Å; I7-F12 VanDerWaalsContact CG2-CE2 3.4Å; I7-F12 HydrophobicContact CG2-CZ 3.84Å; A9-F12 PolarHBondContact O-N 3.11Å; A9-F12 VanDerWaalsContact O-N 3.08Å; F12-T14 VanDerWaalsContact C-N 3.32Å; F12-T14 PolarHBondContact O-N 3.37Å; F12-Q15 WeakPolarHBondContact O-CB 3.47Å; F12-Q15 PolarHBondContact O-N 2.92Å; F12-Q15 VanDerWaalsContact O-N 3.11Å; F12-K16 PolarHBondContact O-N 3.13Å; F12-F47 HydrophobicContact CD1-CE1 4.09Å; F12-F47 AromaticContact CE1-CE1 3.8Å; F12-F47 HydrophobicContact CE1-CE1 3.8Å; F12-F47 HydrophobicContact CZ-CE1 4.06Å; F12-V48 HydrophobicContact CB-CG1 4.06Å; F12-V48 HydrophobicContact CB-CG2 4.36Å; F12-V48 HydrophobicContact CD1-CG2 4.21Å; F12-V48 WeakPolarHBondContact O-CG1 3.31Å; F12-V51 HydrophobicContact CB-CG1 4.07Å; F12-V51 HydrophobicContact CD2-CG1 4.05Å; F12-V51 HydrophobicContact CG-CG1 4.32Å; F12-V57 HydrophobicContact CD2-CG1 4.44Å; F12-V57 HydrophobicContact CD2-CG2 3.79Å; F12-V57 HydrophobicContact CE2-CB 4.3Å; F12-V57 HydrophobicContact CE2-CG1 3.56Å; F12-V57 HydrophobicContact CE2-CG2 3.69Å; F12-V57 HydrophobicContact CZ-CG1 4.15Å; F12-F103 HydrophobicContact CD1-CE1 4.45Å; F12-F103 HydrophobicContact CD1-CZ 4.4Å; F12-F103 AromaticContact CE1-CE1 3.67Å; F12-F103 HydrophobicContact CE1-CE1 3.67Å; F12-F103 AromaticContact CE1-CZ 3.86Å; F12-F103 HydrophobicContact CE1-CZ 3.86Å; F12-F103 HydrophobicContact CZ-CE1 4.14Å; F12-F103 HydrophobicContact CZ-CZ 4.12Å; F12-Y104 HydrophobicContact CE1-CE1 4.47Å
13T82.7Confident76.4Confident67 Ų6769.9 Ų69.941%0.41141%0.405SS..Hα-helixtrans-62.4-39.7174-480000111.7A9 Q15 K16 A17 S52A9-T13 PolarHBondContact O-N 3.27Å; A9-T13 VanDerWaalsContact O-N 3.09Å; A9-T13 PolarHBondContact O-OG1 3.45Å; T13-Q15 VanDerWaalsContact C-N 3.33Å; T13-K16 PolarHBondContact O-N 2.72Å; T13-A17 PolarHBondContact O-N 2.68Å; T13-A17 VanDerWaalsContact O-N 3.1Å; T13-S52 PolarHBondContact OG1-OG 3.31Å; T13-S52 VanDerWaalsContact OG1-OG 3.14Å
14T87.2Confident79.1Confident95 Ų9571.2 Ų71.258%0.58340%0.404SS*.Hα-helixtrans-65.4-37172.9-55.90000111.7A10 T11 F12 K18A10-T14 VanDerWaalsContact O-CB 3.29Å; A10-T14 WeakPolarHBondContact O-CB 3.44Å; A10-T14 PolarHBondContact O-N 3.44Å; A10-T14 PolarHBondContact O-OG1 3.28Å; T11-T14 PolarHBondContact O-N 3.03Å; F12-T14 VanDerWaalsContact C-N 3.32Å; F12-T14 PolarHBondContact O-N 3.37Å; T14-K18 WeakPolarHBondContact O-CB 3.49Å; T14-K18 PolarHBondContact O-N 3.14Å; T14-K18 VanDerWaalsContact O-N 3.07Å
15Q89.4Confident81.3Confident12 Ų1267.5 Ų67.56%0.05639%0.392CS..Hα-helixtrans-64.6-47.9176.6-168-174.732.400111.3T11 F12 T13 K18 V19 L99 F103 Y104T11-Q15 WeakPolarHBondContact O-CB 3.31Å; T11-Q15 PolarHBondContact O-N 3.06Å; F12-Q15 WeakPolarHBondContact O-CB 3.47Å; F12-Q15 PolarHBondContact O-N 2.92Å; F12-Q15 VanDerWaalsContact O-N 3.11Å; T13-Q15 VanDerWaalsContact C-N 3.33Å; Q15-K18 PolarHBondContact O-N 3.32Å; Q15-V19 WeakPolarHBondContact O-CG2 3.33Å; Q15-V19 PolarHBondContact O-N 3.21Å; Q15-L99 HydrophobicContact CG-CD2 3.71Å; Q15-F103 VanDerWaalsContact NE2-CG 3.26Å; Q15-Y104 PolarHBondContact OE1-OH 3.42Å; Q15-Y104 VanDerWaalsContact OE1-OH 3.05Å
16K90.6Very high83.2Confident27 Ų2768.5 Ų68.512%0.11739%0.391CS..Hα-helixtrans-60.4-48.9176.6179.7159.4-172.9163.90111.7F12 T13 K18 V19 D20 W44 E45 V48 D49F12-K16 PolarHBondContact O-N 3.13Å; T13-K16 PolarHBondContact O-N 2.72Å; K16-K18 PolarHBondContact O-N 3.08Å; K16-V19 PolarHBondContact O-N 3.35Å; K16-D20 VanDerWaalsContact O-CG 3.23Å; K16-D20 PolarHBondContact O-N 3.31Å; K16-W44 HydrophobicContact CB-CH2 4.22Å; K16-W44 HydrophobicContact CB-CZ2 4.42Å; K16-W44 HydrophobicContact CG-CH2 4.28Å; K16-E45 VanDerWaalsContact NZ-CG 3.32Å; K16-E45 IonicContact NZ-OE1 2.8Å; K16-E45 PolarHBondContact NZ-OE1 3.03Å; K16-V48 HydrophobicContact CB-CG1 3.67Å; K16-V48 HydrophobicContact CD-CB 4.49Å; K16-V48 HydrophobicContact CD-CG1 4.02Å; K16-V48 HydrophobicContact CG-CG1 4.46Å; K16-D49 IonicContact NZ-OD1 3.18Å; K16-D49 PolarHBondContact NZ-OD1 2.85Å
17A89.9Confident85Confident58 Ų5865.4 Ų65.448%0.47937%0.366SS..Hα-helixtrans-55.8-37.2175.700000113.2T13 E21T13-A17 PolarHBondContact O-N 2.68Å; T13-A17 VanDerWaalsContact O-N 3.1Å; A17-E21 WeakPolarHBondContact O-CB 3.36Å; A17-E21 PolarHBondContact O-N 3.15Å
18K92.1Very high85.9Confident110 Ų11066.3 Ų66.348%0.47837%0.374SS..Hα-helixtrans-75.3-31.2176.6-172.7170.1-178.9177.50113.4T14 Q15 K16 L22 L99T14-K18 WeakPolarHBondContact O-CB 3.49Å; T14-K18 PolarHBondContact O-N 3.14Å; T14-K18 VanDerWaalsContact O-N 3.07Å; Q15-K18 PolarHBondContact O-N 3.32Å; K16-K18 PolarHBondContact O-N 3.08Å; K18-L22 HydrophobicContact CG-CD1 4.2Å; K18-L22 WeakPolarHBondContact O-CB 3.38Å; K18-L22 WeakPolarHBondContact O-CD1 3.45Å; K18-L22 WeakPolarHBondContact O-CG 3.4Å; K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.13Å; K18-L99 HydrophobicContact CB-CD1 4.27Å; K18-L99 HydrophobicContact CD-CD1 3.78Å; K18-L99 HydrophobicContact CG-CD1 3.8Å
19V93.1Very high86.4Confident0 Ų070.7 Ų70.70%039%0.385CS..Hα-helixtrans-67.8-47.4170.7170.90000109.5Q15 K16 E21 L22 M23 W41 W44 V96 L99 F100Q15-V19 WeakPolarHBondContact O-CG2 3.33Å; Q15-V19 PolarHBondContact O-N 3.21Å; K16-V19 PolarHBondContact O-N 3.35Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.5Å; V19-L22 PolarHBondContact O-N 3.2Å; V19-L22 VanDerWaalsContact O-N 3.1Å; V19-M23 HydrophobicContact CG1-CG 4Å; V19-M23 WeakPolarHBondContact O-CB 3.46Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.36Å; V19-M23 PolarHBondContact O-N 3.28Å; V19-W41 HydrophobicContact CG1-CH2 3.68Å; V19-W41 HydrophobicContact CG1-CZ3 4.1Å; V19-W44 HydrophobicContact CB-CH2 3.84Å; V19-W44 HydrophobicContact CB-CZ2 4.42Å; V19-W44 HydrophobicContact CG1-CH2 3.82Å; V19-W44 HydrophobicContact CG1-CZ3 4.16Å; V19-W44 HydrophobicContact CG2-CH2 3.87Å; V19-W44 HydrophobicContact CG2-CZ2 3.98Å; V19-V96 HydrophobicContact CG1-CG1 3.97Å; V19-V96 HydrophobicContact CG2-CG1 4.28Å; V19-L99 HydrophobicContact CG2-CD1 4.37Å; V19-L99 HydrophobicContact CG2-CD2 3.72Å; V19-F100 HydrophobicContact CG1-CZ 4.22Å; V19-F100 HydrophobicContact CG2-CE1 3.71Å; V19-F100 HydrophobicContact CG2-CZ 4.05Å
20D89.3Confident86.8Confident71 Ų7171.1 Ų71.138%0.3839%0.391SS..Hα-helixtrans-59-40.6177.2-62-26.2000111.9K16 N24K16-D20 VanDerWaalsContact O-CG 3.23Å; K16-D20 PolarHBondContact O-N 3.31Å; D20-N24 PolarHBondContact O-N 3.36Å; D20-N24 PolarHBondContact O-ND2 3.47Å
21E89.9Confident87.3Confident140 Ų14070.8 Ų70.865%0.65438%0.381SS*.Hα-helixtrans-60.3-48.6172.3-176.5-172.8177.900111.8A17 V19 N24A17-E21 WeakPolarHBondContact O-CB 3.36Å; A17-E21 PolarHBondContact O-N 3.15Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.5Å; E21-N24 PolarHBondContact O-N 3.4Å
22L90.7Very high87.7Confident31 Ų3169.7 Ų69.716%0.16237%0.373CS..Hα-helixtrans-73.9-26.6-176.1-71.7171.8000113.7K18 V19 N24 V25 P93 N95 V96 L99K18-L22 HydrophobicContact CG-CD1 4.2Å; K18-L22 WeakPolarHBondContact O-CB 3.38Å; K18-L22 WeakPolarHBondContact O-CD1 3.45Å; K18-L22 WeakPolarHBondContact O-CG 3.4Å; K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.13Å; V19-L22 PolarHBondContact O-N 3.2Å; V19-L22 VanDerWaalsContact O-N 3.1Å; L22-N24 VanDerWaalsContact C-N 3.35Å; L22-V25 WeakPolarHBondContact O-CG2 3.36Å; L22-P93 WeakPolarHBondContact O-CG 3.45Å; L22-N95 HydrophobicContact CD1-CB 3.95Å; L22-N95 HydrophobicContact CD2-CB 3.85Å; L22-N95 HydrophobicContact CG-CB 4.44Å; L22-V96 HydrophobicContact CB-CG2 3.47Å; L22-V96 VanDerWaalsContact CB-CG2 3.47Å; L22-V96 HydrophobicContact CD1-CG2 4.21Å; L22-L99 HydrophobicContact CD1-CD1 4.27Å
23M89.7Confident88.1Confident55 Ų5570.7 Ų70.727%0.27138%0.377SS..Hα-helixtrans-74.7-22.8175.7-71.1-64.8-69.800112.7V19 V25 W41 I92 P93 V96V19-M23 HydrophobicContact CG1-CG 4Å; V19-M23 WeakPolarHBondContact O-CB 3.46Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.36Å; V19-M23 PolarHBondContact O-N 3.28Å; M23-V25 PolarHBondContact O-N 3.35Å; M23-V25 VanDerWaalsContact O-N 3.15Å; M23-W41 HydrophobicContact CE-CH2 4.29Å; M23-W41 HydrophobicContact CG-CH2 4.24Å; M23-W41 HydrophobicContact SD-CH2 4.33Å; M23-I92 HydrophobicContact CE-CG2 4.12Å; M23-I92 HydrophobicContact SD-CB 4.15Å; M23-I92 HydrophobicContact SD-CG2 3.89Å; M23-P93 WeakPolarHBondContact SD-CD 3.49Å; M23-P93 HydrophobicContact SD-CG 4.39Å; M23-V96 HydrophobicContact CG-CG2 4.26Å; M23-V96 HydrophobicContact SD-CG1 4.46Å; M23-V96 HydrophobicContact SD-CG2 4.04Å
24N82.7Confident88.7Confident142 Ų14268 Ų6876%0.75936%0.359SS*.THydrogen-bonded Turntrans-80.320.7179-82.2-58000114.3D20 E21 L22D20-N24 PolarHBondContact O-N 3.36Å; D20-N24 PolarHBondContact O-ND2 3.47Å; E21-N24 PolarHBondContact O-N 3.4Å; L22-N24 VanDerWaalsContact C-N 3.35Å
25V80.6Confident89Confident81 Ų8163.4 Ų63.449%0.49133%0.331SS..PPolyproline II helixtrans-92.8126.1178.7179.70000109.8L22 M23 I27L22-V25 WeakPolarHBondContact O-CG2 3.36Å; M23-V25 PolarHBondContact O-N 3.35Å; M23-V25 VanDerWaalsContact O-N 3.15Å; V25-I27 PolarHBondContact O-N 3.47Å
26E81.4Confident89.3Confident170 Ų17062.9 Ų62.979%0.79433%0.329SS*.PPolyproline II helixtrans-59.8134.4172.8-69-173.7160.800111T28E26-T28 PolarHBondContact O-N 3.23Å
27I84.5Confident89.5Confident64 Ų6461.6 Ų61.633%0.32832%0.324SS..PPolyproline II helixtrans-64.6124.3175.8-56.1169.7000108.7V25 W33 A118 A125 I127V25-I27 PolarHBondContact O-N 3.47Å; I27-W33 HydrophobicContact CB-CZ2 4.41Å; I27-W33 HydrophobicContact CG1-CH2 3.96Å; I27-W33 HydrophobicContact CG1-CZ2 3.53Å; I27-A118 HydrophobicContact CG2-CB 3.47Å; I27-A118 VanDerWaalsContact CG2-CB 3.47Å; I27-A125 HydrophobicContact CB-CB 4.4Å; I27-A125 HydrophobicContact CG2-CB 3.86Å; I27-A125 WeakPolarHBondContact O-CB 2.83Å; I27-I127 HydrophobicContact CD1-CD1 3.86Å; I27-I127 HydrophobicContact CD1-CG1 4.45Å; I27-I127 HydrophobicContact CG1-CD1 4.32Å; I27-I127 HydrophobicContact CG2-CD1 4.22Å; I27-I127 HydrophobicContact CG2-CG1 4.21Å
28T86.1Confident89.6Confident73 Ų7360.6 Ų60.645%0.44831%0.31SS..  trans-116.4153.5173.280.20000112.2E26 G30 D31 A118E26-T28 PolarHBondContact O-N 3.23Å; T28-G30 PolarHBondContact O-N 3.1Å; T28-D31 WeakPolarHBondContact CA-OD2 3.44Å; T28-D31 WeakPolarHBondContact CB-OD2 3.15Å; T28-D31 PolarHBondContact N-OD2 3.27Å; T28-D31 WeakPolarHBondContact O-CB 3.42Å; T28-D31 PolarHBondContact O-N 2.95Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 VanDerWaalsContact OG1-CG 3.22Å; T28-D31 PolarHBondContact OG1-OD1 2.79Å; T28-D31 PolarHBondContact OG1-OD2 2.91Å; T28-A118 WeakPolarHBondContact O-CB 3.44Å
29K85.5Confident89.6Confident152 Ų15260.8 Ų60.866%0.66132%0.316SS*.THydrogen-bonded Turntrans-57.6122.6-177.5-176.6-167.7-174.7170.80111Q120K29-Q120 HydrophobicContact CB-CB 4.36Å; K29-Q120 HydrophobicContact CD-CB 3.85Å; K29-Q120 HydrophobicContact CG-CB 4.01Å
30G86.9Confident89.7Confident30 Ų3061.4 Ų61.431%0.30932%0.318SS..THydrogen-bonded Turntrans96.6-8.6177.200000114.7T28 R117 A118T28-G30 PolarHBondContact O-N 3.1Å; G30-R117 PolarHBondContact O-NH1 3.31Å; G30-A118 PolarHBondContact N-O 3.14Å
31D90.2Very high89.9Confident56 Ų5659.4 Ų59.430%0.29931%0.306SS..  trans-58.7149.2174.3-76.1-32.3000112.1T28 R117 A118T28-D31 WeakPolarHBondContact CA-OD2 3.44Å; T28-D31 WeakPolarHBondContact CB-OD2 3.15Å; T28-D31 PolarHBondContact N-OD2 3.27Å; T28-D31 WeakPolarHBondContact O-CB 3.42Å; T28-D31 PolarHBondContact O-N 2.95Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 VanDerWaalsContact OG1-CG 3.22Å; T28-D31 PolarHBondContact OG1-OD1 2.79Å; T28-D31 PolarHBondContact OG1-OD2 2.91Å; D31-R117 CarbonylContact O-C 3.54Å; D31-R117 WeakPolarHBondContact O-CA 3.16Å; D31-A118 HydrophobicContact CB-CB 4.24Å; D31-A118 PolarHBondContact O-N 3.21Å
32L92.6Very high90Very high30 Ų3055.5 Ų55.516%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-101.3124.5177.1-75.3172000110.3R94 E115 R117L32-R94 HydrophobicContact CB-CB 4.13Å; L32-R94 VanDerWaalsContact O-CB 3.26Å; L32-R94 WeakPolarHBondContact O-CB 3.34Å; L32-R94 PolarHBondContact O-N 3.2Å; L32-E115 HydrophobicContact CD2-CG 3.8Å; L32-E115 VanDerWaalsContact CD2-OE1 3.3Å; L32-E115 WeakPolarHBondContact CD2-OE1 3.49Å; L32-R117 HydrophobicContact CD2-CB 4.39Å
33W94.3Very high90Very high20 Ų2057.7 Ų57.78%0.07630%0.299CS..EExtended strand (participates in β ladder)trans-126.3157.6178.2-71.670.5000108.8I27 L91 I92 P93 R116 I127I27-W33 HydrophobicContact CB-CZ2 4.41Å; I27-W33 HydrophobicContact CG1-CH2 3.96Å; I27-W33 HydrophobicContact CG1-CZ2 3.53Å; W33-L91 HydrophobicContact CE3-CB 4.06Å; W33-L91 WeakPolarHBondContact CZ3-O 3.32Å; W33-I92 CarbonylContact C-O 3.59Å; W33-I92 WeakPolarHBondContact CA-O 3.39Å; W33-I92 VanDerWaalsContact CE3-C 3.4Å; W33-P93 HydrophobicContact CD2-CB 4.5Å; W33-P93 HydrophobicContact CD2-CG 4.36Å; W33-P93 HydrophobicContact CE3-CG 4.09Å; W33-P93 HydrophobicContact CH2-CG 3.61Å; W33-P93 HydrophobicContact CZ2-CB 4.46Å; W33-P93 HydrophobicContact CZ2-CG 3.87Å; W33-P93 VanDerWaalsContact CZ3-CD 3.48Å; W33-P93 HydrophobicContact CZ3-CG 3.73Å; W33-R116 PolarHBondContact N-O 3.08Å; W33-R116 PolarHBondContact O-N 3.36Å; W33-R116 VanDerWaalsContact O-O 3.06Å; W33-I127 HydrophobicContact CB-CD1 3.7Å; W33-I127 HydrophobicContact CD2-CD1 3.45Å; W33-I127 VanDerWaalsContact CD2-CD1 3.45Å; W33-I127 HydrophobicContact CE3-CD1 3.88Å; W33-I127 HydrophobicContact CG-CD1 3.34Å; W33-I127 HydrophobicContact CG-CG1 4.36Å
34Y95.7Very high90.2Very high10 Ų1055.1 Ų55.14%0.03929%0.287CS..EExtended strand (participates in β ladder)trans-125.9139.2-179.9-68.6-95.8000110.3I92 R94 W97 F114 E115Y34-I92 PolarHBondContact N-O 3.29Å; Y34-I92 PolarHBondContact O-N 3.37Å; Y34-R94 HydrophobicContact CD2-CB 4.36Å; Y34-R94 HydrophobicContact CE2-CB 3.84Å; Y34-R94 HydrophobicContact CE2-CG 3.89Å; Y34-W97 AromaticContact CD1-CD2 3.82Å; Y34-W97 HydrophobicContact CD1-CD2 3.82Å; Y34-W97 AromaticContact CD1-CE2 3.87Å; Y34-W97 HydrophobicContact CD1-CE3 4.32Å; Y34-W97 AromaticContact CD1-CG 3.96Å; Y34-W97 HydrophobicContact CD1-CG 3.96Å; Y34-W97 HydrophobicContact CD1-CZ2 4.45Å; Y34-W97 AromaticContact CD1-NE1 3.93Å; Y34-W97 HydrophobicContact CD2-CB 3.57Å; Y34-W97 AromaticContact CD2-CD1 3.97Å; Y34-W97 HydrophobicContact CD2-CD2 4.23Å; Y34-W97 AromaticContact CD2-CG 3.63Å; Y34-W97 HydrophobicContact CD2-CG 3.63Å; Y34-W97 HydrophobicContact CE2-CB 4.28Å; Y34-W97 HydrophobicContact CE2-CG 4.21Å; Y34-W97 HydrophobicContact CG-CB 3.84Å; Y34-W97 AromaticContact CG-CD1 3.93Å; Y34-W97 AromaticContact CG-CD2 3.59Å; Y34-W97 HydrophobicContact CG-CD2 3.59Å; Y34-W97 AromaticContact CG-CE3 3.96Å; Y34-W97 HydrophobicContact CG-CE3 3.96Å; Y34-W97 AromaticContact CG-CG 3.5Å; Y34-W97 HydrophobicContact CG-CG 3.5Å; Y34-W97 VanDerWaalsContact CG-CG 3.5Å; Y34-F114 WeakPolarHBondContact CA-O 3.34Å; Y34-F114 HydrophobicContact CD1-CB 4.33Å; Y34-E115 HydrophobicContact CD1-CB 4.15Å; Y34-E115 HydrophobicContact CE1-CB 3.67Å; Y34-E115 HydrophobicContact CE1-CG 3.92Å; Y34-E115 PolarHBondContact OH-OE2 2.84Å
35I94.7Very high90.6Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-76.7125.8170.9-60.4170.3000108.2N70 I73 L79 I89 L91 F114 R116 I129I35-N70 PolarHBondContact O-ND2 2.98Å; I35-I73 HydrophobicContact CG2-CD1 3.71Å; I35-L79 HydrophobicContact CD1-CD2 3.72Å; I35-L79 HydrophobicContact CG2-CD1 4.3Å; I35-I89 HydrophobicContact CG2-CB 3.82Å; I35-I89 HydrophobicContact CG2-CD1 3.9Å; I35-I89 HydrophobicContact CG2-CG1 4.46Å; I35-I89 HydrophobicContact CG2-CG2 3.51Å; I35-L91 HydrophobicContact CG1-CD2 3.82Å; I35-F114 HydrophobicContact CB-CB 4.41Å; I35-F114 PolarHBondContact N-O 2.66Å; I35-R116 HydrophobicContact CD1-CG 3.81Å; I35-R116 VanDerWaalsContact CD1-CZ 3.48Å; I35-R116 HydrophobicContact CG1-CG 4.04Å; I35-I129 HydrophobicContact CD1-CD1 4.36Å; I35-I129 HydrophobicContact CD1-CG2 3.93Å; I35-I129 HydrophobicContact CG1-CD1 4.33Å
36L96Very high91Very high0 Ų052.8 Ų52.80%027%0.266CS..EExtended strand (participates in β ladder)trans-124.8140177.8177.367.8000109.1L38 W40 W41 V68 N70 I89 T90 I92 W97 F100L36-L38 PolarHBondContact O-N 3.01Å; L36-W40 HydrophobicContact CD1-CD2 4.4Å; L36-W40 HydrophobicContact CD1-CE3 3.9Å; L36-W40 HydrophobicContact CD2-CE3 3.98Å; L36-W40 HydrophobicContact CD2-CZ3 4.32Å; L36-W40 HydrophobicContact CG-CE3 4.37Å; L36-W41 HydrophobicContact CD2-CB 4.13Å; L36-W41 HydrophobicContact CD2-CE3 3.81Å; L36-V68 HydrophobicContact CD1-CG1 3.61Å; L36-N70 WeakPolarHBondContact CA-OD1 3.28Å; L36-I89 CarbonylContact O-C 3.56Å; L36-I89 VanDerWaalsContact O-CA 3.31Å; L36-I89 WeakPolarHBondContact O-CA 3.41Å; L36-T90 HydrophobicContact CB-CG2 3.96Å; L36-T90 HydrophobicContact CD2-CG2 4.11Å; L36-T90 HydrophobicContact CG-CG2 4.25Å; L36-T90 PolarHBondContact N-O 2.85Å; L36-T90 PolarHBondContact O-N 3.05Å; L36-I92 HydrophobicContact CB-CD1 4.37Å; L36-I92 HydrophobicContact CB-CG1 4.37Å; L36-I92 HydrophobicContact CD2-CD1 3.85Å; L36-I92 HydrophobicContact CD2-CG2 4.3Å; L36-W97 HydrophobicContact CD1-CZ3 4.17Å; L36-F100 HydrophobicContact CD2-CD2 4.17Å; L36-F100 HydrophobicContact CD2-CE2 3.92Å
37S93.5Very high91.5Very high1 Ų144.9 Ų44.91%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-53.5128.8170.6163.90000110.9N39 W40 W41 N70 D72S37-N39 PolarHBondContact O-N 3.45Å; S37-N39 WeakPolarHBondContact OG-CB 3.49Å; S37-N39 PolarHBondContact OG-N 2.77Å; S37-N39 VanDerWaalsContact OG-N 3.1Å; S37-W40 PolarHBondContact O-N 3.36Å; S37-W40 PolarHBondContact OG-N 3.41Å; S37-W40 VanDerWaalsContact OG-N 3.12Å; S37-W41 PolarHBondContact O-N 2.93Å; S37-N70 PolarHBondContact N-OD1 3.4Å; S37-D72 WeakPolarHBondContact CB-OD1 3.47Å; S37-D72 VanDerWaalsContact OG-CG 3.22Å; S37-D72 PolarHBondContact OG-OD1 2.87Å; S37-D72 VanDerWaalsContact OG-OD1 3.1Å; S37-D72 PolarHBondContact OG-OD2 3.38Å
38L92.1Very high91.7Very high37 Ų3741.9 Ų41.919%0.19421%0.213CC..Hα-helixtrans-67.7-27.7173.5-165.869.7000111.3L36 T42 E86 S87 D88 T90L36-L38 PolarHBondContact O-N 3.01Å; L38-T42 VanDerWaalsContact O-CB 3.27Å; L38-T42 WeakPolarHBondContact O-CB 3.5Å; L38-T42 PolarHBondContact O-N 2.83Å; L38-T42 PolarHBondContact O-OG1 2.77Å; L38-E86 WeakPolarHBondContact CD2-O 3.38Å; L38-S87 VanDerWaalsContact CD2-O 3.26Å; L38-S87 WeakPolarHBondContact CD2-O 3.25Å; L38-D88 WeakPolarHBondContact CB-O 3.33Å; L38-D88 PolarHBondContact N-O 3.1Å; L38-T90 HydrophobicContact CD1-CG2 4.46Å
39N92Very high91.7Very high113 Ų11341 Ų4160%0.60421%0.206SC*.Hα-helixtrans-64.3-46173.3-66.2-54.3000111.1S37 K43 D72S37-N39 PolarHBondContact O-N 3.45Å; S37-N39 WeakPolarHBondContact OG-CB 3.49Å; S37-N39 PolarHBondContact OG-N 2.77Å; S37-N39 VanDerWaalsContact OG-N 3.1Å; N39-K43 VanDerWaalsContact O-CB 3.3Å; N39-K43 WeakPolarHBondContact O-CB 3.45Å; N39-K43 PolarHBondContact O-N 2.83Å; N39-D72 PolarHBondContact ND2-OD2 3.29Å
40W94.6Very high91.7Very high13 Ų1336 Ų365%0.04919%0.19CC..Hα-helixtrans-66-44.2176.1-167.892.1000111.9L36 S37 K43 W44 P65 K67 V68 F100 Y104L36-W40 HydrophobicContact CD1-CD2 4.4Å; L36-W40 HydrophobicContact CD1-CE3 3.9Å; L36-W40 HydrophobicContact CD2-CE3 3.98Å; L36-W40 HydrophobicContact CD2-CZ3 4.32Å; L36-W40 HydrophobicContact CG-CE3 4.37Å; S37-W40 PolarHBondContact O-N 3.36Å; S37-W40 PolarHBondContact OG-N 3.41Å; S37-W40 VanDerWaalsContact OG-N 3.12Å; W40-K43 PolarHBondContact O-N 3.29Å; W40-W44 HydrophobicContact CE3-CB 4.2Å; W40-W44 HydrophobicContact CH2-CB 4.09Å; W40-W44 HydrophobicContact CH2-CG 4.16Å; W40-W44 HydrophobicContact CZ3-CB 3.84Å; W40-W44 HydrophobicContact CZ3-CG 4.09Å; W40-W44 PolarHBondContact O-N 3.13Å; W40-P65 HydrophobicContact CZ2-CB 3.88Å; W40-P65 HydrophobicContact CZ2-CG 4.41Å; W40-P65 PolarHBondContact NE1-O 2.92Å; W40-K67 PolarHBondContact NE1-O 3.21Å; W40-V68 HydrophobicContact CH2-CG2 3.82Å; W40-V68 HydrophobicContact CZ2-CB 4.41Å; W40-V68 HydrophobicContact CZ2-CG2 3.76Å; W40-V68 HydrophobicContact CZ3-CG2 4.32Å; W40-F100 HydrophobicContact CH2-CB 4.27Å; W40-F100 HydrophobicContact CH2-CD1 4.28Å; W40-F100 HydrophobicContact CH2-CD2 4.28Å; W40-F100 HydrophobicContact CH2-CG 4.07Å; W40-F100 HydrophobicContact CZ3-CD1 4.39Å; W40-F100 AromaticContact CZ3-CD2 3.77Å; W40-F100 HydrophobicContact CZ3-CD2 3.77Å; W40-F100 AromaticContact CZ3-CE2 3.91Å; W40-F100 HydrophobicContact CZ3-CE2 3.91Å; W40-F100 HydrophobicContact CZ3-CG 4.03Å; W40-F100 HydrophobicContact CZ3-CZ 4.29Å; W40-Y104 AromaticContact CH2-CD2 3.82Å; W40-Y104 HydrophobicContact CH2-CD2 3.82Å; W40-Y104 HydrophobicContact CH2-CE2 4.11Å; W40-Y104 HydrophobicContact CH2-CG 4.35Å; W40-Y104 HydrophobicContact CZ2-CD2 4.07Å; W40-Y104 HydrophobicContact CZ2-CG 4.12Å
41W93.8Very high91.7Very high30 Ų3034.6 Ų34.611%0.11418%0.176CC..Hα-helixtrans-57.8-50.2176.3174.1-84.3000112.1V19 M23 L36 S37 K43 W44 E45 T90 I92 F100V19-W41 HydrophobicContact CG1-CH2 3.68Å; V19-W41 HydrophobicContact CG1-CZ3 4.1Å; M23-W41 HydrophobicContact CE-CH2 4.29Å; M23-W41 HydrophobicContact CG-CH2 4.24Å; M23-W41 HydrophobicContact SD-CH2 4.33Å; L36-W41 HydrophobicContact CD2-CB 4.13Å; L36-W41 HydrophobicContact CD2-CE3 3.81Å; S37-W41 PolarHBondContact O-N 2.93Å; W41-K43 VanDerWaalsContact C-N 3.32Å; W41-K43 PolarHBondContact O-N 3.07Å; W41-W44 HydrophobicContact CH2-CZ3 4.15Å; W41-W44 HydrophobicContact CZ2-CZ3 4.24Å; W41-W44 HydrophobicContact CZ3-CZ3 4.41Å; W41-W44 WeakPolarHBondContact O-CB 3.38Å; W41-W44 PolarHBondContact O-N 2.87Å; W41-E45 PolarHBondContact NE1-OE2 3.01Å; W41-E45 PolarHBondContact O-N 3.39Å; W41-T90 HydrophobicContact CB-CG2 3.84Å; W41-T90 HydrophobicContact CD2-CG2 4.06Å; W41-T90 HydrophobicContact CE3-CG2 4.14Å; W41-T90 HydrophobicContact CG-CG2 3.93Å; W41-I92 HydrophobicContact CE3-CG2 4.05Å; W41-I92 HydrophobicContact CZ3-CG2 3.77Å; W41-F100 AromaticContact CE3-CE2 3.86Å; W41-F100 HydrophobicContact CE3-CE2 3.86Å; W41-F100 HydrophobicContact CE3-CZ 4.07Å; W41-F100 AromaticContact CZ3-CE2 3.7Å; W41-F100 HydrophobicContact CZ3-CE2 3.7Å; W41-F100 AromaticContact CZ3-CZ 3.7Å; W41-F100 HydrophobicContact CZ3-CZ 3.7Å
42T91.7Very high91.3Very high58 Ų5834.6 Ų34.636%0.35618%0.18SC..Hα-helixtrans-61.1-44.6-178.8-56.40000110.5L38 W44 E45 E46L38-T42 VanDerWaalsContact O-CB 3.27Å; L38-T42 WeakPolarHBondContact O-CB 3.5Å; L38-T42 PolarHBondContact O-N 2.83Å; L38-T42 PolarHBondContact O-OG1 2.77Å; T42-W44 VanDerWaalsContact C-N 3.34Å; T42-W44 PolarHBondContact O-N 3.17Å; T42-E45 PolarHBondContact O-N 3.36Å; T42-E46 HydrophobicContact CG2-CG 4.38Å; T42-E46 WeakPolarHBondContact O-CB 3.47Å; T42-E46 WeakPolarHBondContact O-CG 3.41Å; T42-E46 PolarHBondContact O-N 3.38Å
43K92.2Very high90.8Very high76 Ų7640.9 Ų40.933%0.3321%0.206SC..Hα-helixtrans-61.2-41.1176.8-168.7175.9-171.4-158.30112.5N39 W40 W41 F47 E62 E63 Y64 P65N39-K43 VanDerWaalsContact O-CB 3.3Å; N39-K43 WeakPolarHBondContact O-CB 3.45Å; N39-K43 PolarHBondContact O-N 2.83Å; W40-K43 PolarHBondContact O-N 3.29Å; W41-K43 VanDerWaalsContact C-N 3.32Å; W41-K43 PolarHBondContact O-N 3.07Å; K43-F47 VanDerWaalsContact O-CB 3.32Å; K43-F47 WeakPolarHBondContact O-CB 3.28Å; K43-F47 PolarHBondContact O-N 3.49Å; K43-E62 WeakPolarHBondContact CE-O 3.35Å; K43-E62 PolarHBondContact NZ-O 3.06Å; K43-E63 WeakPolarHBondContact CE-O 3.3Å; K43-E63 WeakPolarHBondContact CG-O 3.45Å; K43-Y64 VanDerWaalsContact CE-O 3.23Å; K43-Y64 WeakPolarHBondContact CE-O 3.43Å; K43-Y64 PolarHBondContact NZ-O 2.62Å; K43-P65 HydrophobicContact CG-CB 4.47Å
44W93.8Very high90.2Very high1 Ų142.9 Ų42.90%0.00422%0.223CC..Hα-helixtrans-63.4-45.4173.1171.583.4000111.9K16 V19 W40 W41 T42 F47 V48 P65 F100 Y104K16-W44 HydrophobicContact CB-CH2 4.22Å; K16-W44 HydrophobicContact CB-CZ2 4.42Å; K16-W44 HydrophobicContact CG-CH2 4.28Å; V19-W44 HydrophobicContact CB-CH2 3.84Å; V19-W44 HydrophobicContact CB-CZ2 4.42Å; V19-W44 HydrophobicContact CG1-CH2 3.82Å; V19-W44 HydrophobicContact CG1-CZ3 4.16Å; V19-W44 HydrophobicContact CG2-CH2 3.87Å; V19-W44 HydrophobicContact CG2-CZ2 3.98Å; W40-W44 HydrophobicContact CE3-CB 4.2Å; W40-W44 HydrophobicContact CH2-CB 4.09Å; W40-W44 HydrophobicContact CH2-CG 4.16Å; W40-W44 HydrophobicContact CZ3-CB 3.84Å; W40-W44 HydrophobicContact CZ3-CG 4.09Å; W40-W44 PolarHBondContact O-N 3.13Å; W41-W44 HydrophobicContact CH2-CZ3 4.15Å; W41-W44 HydrophobicContact CZ2-CZ3 4.24Å; W41-W44 HydrophobicContact CZ3-CZ3 4.41Å; W41-W44 WeakPolarHBondContact O-CB 3.38Å; W41-W44 PolarHBondContact O-N 2.87Å; T42-W44 VanDerWaalsContact C-N 3.34Å; T42-W44 PolarHBondContact O-N 3.17Å; W44-F47 PolarHBondContact O-N 3.14Å; W44-V48 HydrophobicContact CD2-CG2 4.43Å; W44-V48 HydrophobicContact CZ2-CG2 4.11Å; W44-V48 WeakPolarHBondContact O-CG2 3.48Å; W44-V48 PolarHBondContact O-N 3.43Å; W44-P65 HydrophobicContact CB-CB 4Å; W44-P65 HydrophobicContact CB-CG 4.15Å; W44-F100 AromaticContact CD2-CE1 3.87Å; W44-F100 HydrophobicContact CD2-CE1 3.87Å; W44-F100 AromaticContact CD2-CZ 3.91Å; W44-F100 HydrophobicContact CD2-CZ 3.91Å; W44-F100 AromaticContact CE2-CE1 3.52Å; W44-F100 HydrophobicContact CE3-CE1 4.32Å; W44-F100 AromaticContact CE3-CZ 3.95Å; W44-F100 HydrophobicContact CE3-CZ 3.95Å; W44-F100 HydrophobicContact CG-CE1 4.38Å; W44-F100 HydrophobicContact CH2-CE1 4.2Å; W44-F100 HydrophobicContact CH2-CZ 4.23Å; W44-F100 AromaticContact CZ2-CE1 3.73Å; W44-F100 HydrophobicContact CZ2-CE1 3.73Å; W44-F100 HydrophobicContact CZ2-CZ 4.19Å; W44-F100 HydrophobicContact CZ3-CE1 4.47Å; W44-F100 HydrophobicContact CZ3-CZ 4.11Å; W44-F100 AromaticContact NE1-CE1 3.8Å; W44-Y104 AromaticContact CD1-CE2 3.58Å; W44-Y104 AromaticContact CD1-CZ 3.53Å; W44-Y104 AromaticContact NE1-CE2 3.61Å; W44-Y104 AromaticContact NE1-CZ 3.67Å; W44-Y104 PolarHBondContact NE1-OH 2.93Å
45E91.1Very high89.5Confident63 Ų6344.9 Ų44.929%0.29425%0.246SC..Hα-helixtrans-65.4-43.7-177.8-166.8175174.300111.6K16 W41 T42 V48 D49K16-E45 VanDerWaalsContact NZ-CG 3.32Å; K16-E45 IonicContact NZ-OE1 2.8Å; K16-E45 PolarHBondContact NZ-OE1 3.03Å; W41-E45 PolarHBondContact NE1-OE2 3.01Å; W41-E45 PolarHBondContact O-N 3.39Å; T42-E45 PolarHBondContact O-N 3.36Å; E45-V48 PolarHBondContact O-N 2.96Å; E45-D49 WeakPolarHBondContact O-CB 3.49Å; E45-D49 PolarHBondContact O-N 3.05Å
46E89.3Confident88.7Confident112 Ų11250.4 Ų50.452%0.52328%0.275SS..Hα-helixtrans-62-45.5174.5-72.3-172.1142.800111.9T42 D49 S50T42-E46 HydrophobicContact CG2-CG 4.38Å; T42-E46 WeakPolarHBondContact O-CB 3.47Å; T42-E46 WeakPolarHBondContact O-CG 3.41Å; T42-E46 PolarHBondContact O-N 3.38Å; E46-D49 PolarHBondContact O-N 3.49Å; E46-S50 VanDerWaalsContact O-CB 3.3Å; E46-S50 WeakPolarHBondContact O-CB 3.24Å; E46-S50 PolarHBondContact O-N 3.3Å
47F90.8Very high88Confident4 Ų452.4 Ų52.42%0.01829%0.287CS..Hα-helixtrans-60.3-47.6177178.9-100.6000112.2F12 K43 W44 D49 S50 V51 D58 E63 Y64F12-F47 HydrophobicContact CD1-CE1 4.09Å; F12-F47 AromaticContact CE1-CE1 3.8Å; F12-F47 HydrophobicContact CE1-CE1 3.8Å; F12-F47 HydrophobicContact CZ-CE1 4.06Å; K43-F47 VanDerWaalsContact O-CB 3.32Å; K43-F47 WeakPolarHBondContact O-CB 3.28Å; K43-F47 PolarHBondContact O-N 3.49Å; W44-F47 PolarHBondContact O-N 3.14Å; F47-D49 VanDerWaalsContact C-N 3.3Å; F47-D49 PolarHBondContact O-N 3.36Å; F47-S50 WeakPolarHBondContact O-CB 3.36Å; F47-S50 PolarHBondContact O-N 2.81Å; F47-S50 VanDerWaalsContact O-N 3.16Å; F47-V51 HydrophobicContact CD1-CG2 4.12Å; F47-V51 HydrophobicContact CD2-CG2 4.4Å; F47-V51 HydrophobicContact CE1-CG2 3.63Å; F47-V51 HydrophobicContact CE2-CG2 3.94Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.52Å; F47-V51 WeakPolarHBondContact O-CG2 3.32Å; F47-V51 PolarHBondContact O-N 3.41Å; F47-D58 WeakPolarHBondContact CE2-O 3.29Å; F47-E63 HydrophobicContact CD2-CB 4.23Å; F47-Y64 HydrophobicContact CD1-CD2 4.28Å; F47-Y64 HydrophobicContact CD2-CD2 4.37Å; F47-Y64 AromaticContact CE1-CD2 3.78Å; F47-Y64 HydrophobicContact CE1-CD2 3.78Å; F47-Y64 HydrophobicContact CE1-CE2 4.14Å; F47-Y64 AromaticContact CE2-CD2 3.88Å; F47-Y64 HydrophobicContact CE2-CD2 3.88Å; F47-Y64 AromaticContact CZ-CD2 3.57Å; F47-Y64 HydrophobicContact CZ-CD2 3.57Å; F47-Y64 HydrophobicContact CZ-CE2 4.2Å
48V89.2Confident87.3Confident0 Ų055.7 Ų55.70%031%0.305CS..Hα-helixtrans-69.6-30.8-178.9179.90000111.8F12 K16 W44 E45 S52F12-V48 HydrophobicContact CB-CG1 4.06Å; F12-V48 HydrophobicContact CB-CG2 4.36Å; F12-V48 HydrophobicContact CD1-CG2 4.21Å; F12-V48 WeakPolarHBondContact O-CG1 3.31Å; K16-V48 HydrophobicContact CB-CG1 3.67Å; K16-V48 HydrophobicContact CD-CB 4.49Å; K16-V48 HydrophobicContact CD-CG1 4.02Å; K16-V48 HydrophobicContact CG-CG1 4.46Å; W44-V48 HydrophobicContact CD2-CG2 4.43Å; W44-V48 HydrophobicContact CZ2-CG2 4.11Å; W44-V48 WeakPolarHBondContact O-CG2 3.48Å; W44-V48 PolarHBondContact O-N 3.43Å; E45-V48 PolarHBondContact O-N 2.96Å; V48-S52 WeakPolarHBondContact O-CB 3.27Å; V48-S52 PolarHBondContact O-N 3.07Å; V48-S52 PolarHBondContact O-OG 3.04Å
49D85.9Confident86.7Confident56 Ų5658.2 Ų58.230%0.29932%0.315SS..Hα-helixtrans-66.8-40.6169.5-104.237000112.4K16 E45 E46 F47 S52 K53K16-D49 IonicContact NZ-OD1 3.18Å; K16-D49 PolarHBondContact NZ-OD1 2.85Å; E45-D49 WeakPolarHBondContact O-CB 3.49Å; E45-D49 PolarHBondContact O-N 3.05Å; E46-D49 PolarHBondContact O-N 3.49Å; F47-D49 VanDerWaalsContact C-N 3.3Å; F47-D49 PolarHBondContact O-N 3.36Å; D49-S52 PolarHBondContact O-N 2.99Å; D49-K53 WeakPolarHBondContact O-CB 3.35Å; D49-K53 WeakPolarHBondContact O-CD 3.4Å; D49-K53 VanDerWaalsContact O-CG 3.24Å; D49-K53 WeakPolarHBondContact O-CG 3.42Å; D49-K53 PolarHBondContact O-N 2.91Å; D49-K53 IonicContact OD2-NZ 3.77Å; D49-K53 PolarHBondContact OD2-NZ 3.31Å
50S85.5Confident85.9Confident45 Ų4559 Ų5932%0.31533%0.325SS..Hα-helixtrans-62.5-48175.8-168.90000111E46 F47 S52 K53 S54 E63E46-S50 VanDerWaalsContact O-CB 3.3Å; E46-S50 WeakPolarHBondContact O-CB 3.24Å; E46-S50 PolarHBondContact O-N 3.3Å; F47-S50 WeakPolarHBondContact O-CB 3.36Å; F47-S50 PolarHBondContact O-N 2.81Å; F47-S50 VanDerWaalsContact O-N 3.16Å; S50-S52 PolarHBondContact O-N 3.35Å; S50-K53 PolarHBondContact O-N 3.22Å; S50-S54 WeakPolarHBondContact O-CB 3.35Å; S50-S54 PolarHBondContact O-N 2.99Å; S50-S54 PolarHBondContact O-OG 3Å; S50-E63 PolarHBondContact OG-OE2 2.84Å
51V86Confident85Confident2 Ų260.1 Ų60.11%0.01233%0.334CS..Hα-helixtrans-62.2-42.2173.8172.80000111.8A9 F12 F47 K53 G55 V57A9-V51 HydrophobicContact CB-CG1 3.73Å; F12-V51 HydrophobicContact CB-CG1 4.07Å; F12-V51 HydrophobicContact CD2-CG1 4.05Å; F12-V51 HydrophobicContact CG-CG1 4.32Å; F47-V51 HydrophobicContact CD1-CG2 4.12Å; F47-V51 HydrophobicContact CD2-CG2 4.4Å; F47-V51 HydrophobicContact CE1-CG2 3.63Å; F47-V51 HydrophobicContact CE2-CG2 3.94Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.52Å; F47-V51 WeakPolarHBondContact O-CG2 3.32Å; F47-V51 PolarHBondContact O-N 3.41Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.25Å; V51-G55 WeakPolarHBondContact O-CA 3.27Å; V51-G55 PolarHBondContact O-N 3.38Å; V51-V57 HydrophobicContact CG1-CG2 3.84Å
52S82.5Confident84.2Confident55 Ų5567.4 Ų67.439%0.38537%0.369SS..Hα-helixtrans-70.5-26.4-178.9-610000113.1T13 V48 D49 S50T13-S52 PolarHBondContact OG1-OG 3.31Å; T13-S52 VanDerWaalsContact OG1-OG 3.14Å; V48-S52 WeakPolarHBondContact O-CB 3.27Å; V48-S52 PolarHBondContact O-N 3.07Å; V48-S52 PolarHBondContact O-OG 3.04Å; D49-S52 PolarHBondContact O-N 2.99Å; S50-S52 PolarHBondContact O-N 3.35Å
53K81.7Confident83.3Confident162 Ų16269.1 Ų69.170%0.70437%0.373SS*.Hα-helixtrans-85.6-38.3175.7-70.8162.2-166.8152.60112.9D49 S50 V51D49-K53 WeakPolarHBondContact O-CB 3.35Å; D49-K53 WeakPolarHBondContact O-CD 3.4Å; D49-K53 VanDerWaalsContact O-CG 3.24Å; D49-K53 WeakPolarHBondContact O-CG 3.42Å; D49-K53 PolarHBondContact O-N 2.91Å; D49-K53 IonicContact OD2-NZ 3.77Å; D49-K53 PolarHBondContact OD2-NZ 3.31Å; S50-K53 PolarHBondContact O-N 3.22Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.25Å
54S82.8Confident83.1Confident63 Ų6367.8 Ų67.844%0.44137%0.367SS..Hα-helixtrans-89.5-27.1-176.2650000114.1S50 I56S50-S54 WeakPolarHBondContact O-CB 3.35Å; S50-S54 PolarHBondContact O-N 2.99Å; S50-S54 PolarHBondContact O-OG 3Å; S54-I56 PolarHBondContact O-N 3.5Å; S54-I56 PolarHBondContact OG-N 3.41Å; S54-I56 VanDerWaalsContact OG-N 3.16Å; S54-I56 PolarHBondContact OG-O 2.93Å
55G81Confident82.9Confident51 Ų5168.2 Ų68.253%0.52637%0.37SS..  trans711.6-168.400000114.3V51V51-G55 WeakPolarHBondContact O-CA 3.27Å; V51-G55 PolarHBondContact O-N 3.38Å
56I77.8Confident82.9Confident117 Ų11766.3 Ų66.360%0.637%0.367SS*.  trans-102.9129.9-176.8-60.7172.7000108.5S54S54-I56 PolarHBondContact O-N 3.5Å; S54-I56 PolarHBondContact OG-N 3.41Å; S54-I56 VanDerWaalsContact OG-N 3.16Å; S54-I56 PolarHBondContact OG-O 2.93Å
57V80.9Confident83.1Confident41 Ų4167 Ų6725%0.24837%0.368CS..  trans-100111.8170.91770000107.8A9 F12 V51 E59A9-V57 HydrophobicContact CB-CG2 4.17Å; F12-V57 HydrophobicContact CD2-CG1 4.44Å; F12-V57 HydrophobicContact CD2-CG2 3.79Å; F12-V57 HydrophobicContact CE2-CB 4.3Å; F12-V57 HydrophobicContact CE2-CG1 3.56Å; F12-V57 HydrophobicContact CE2-CG2 3.69Å; F12-V57 HydrophobicContact CZ-CG1 4.15Å; V51-V57 HydrophobicContact CG1-CG2 3.84Å; V57-E59 HydrophobicContact CG1-CG 4.02Å
58D78.8Confident83.3Confident71 Ų7166.8 Ų66.838%0.3837%0.367SS..  trans-118.394.4172.6-175.93.3000110.1F47 T60 S61F47-D58 WeakPolarHBondContact CE2-O 3.29Å; D58-T60 PolarHBondContact O-N 3.42Å; D58-T60 WeakPolarHBondContact OD1-CA 3.18Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 3.02Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å; D58-S61 VanDerWaalsContact O-CB 3.31Å; D58-S61 WeakPolarHBondContact O-CB 3.38Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact OD1-N 2.92Å
59E79.7Confident83.6Confident89 Ų8969.4 Ų69.442%0.41638%0.381SS..THydrogen-bonded Turntrans-72.4-6.6175.4-58.7-178.7175.500112.8V57 Y64V57-E59 HydrophobicContact CG1-CG 4.02Å; E59-Y64 HydrophobicContact CB-CD2 4.31Å; E59-Y64 HydrophobicContact CB-CE2 4.29Å; E59-Y64 HydrophobicContact CB-CG 4.46Å; E59-Y64 HydrophobicContact CG-CD2 4.3Å; E59-Y64 HydrophobicContact CG-CE2 3.96Å
60T75.9Confident84Confident131 Ų13166.7 Ų66.780%0.80437%0.367SS*.THydrogen-bonded Turntrans-94.9-7.9173.869.50000113.3D58D58-T60 PolarHBondContact O-N 3.42Å; D58-T60 WeakPolarHBondContact OD1-CA 3.18Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 3.02Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å
61S75.7Confident84.4Confident35 Ų3567.6 Ų67.625%0.24537%0.373CS..SBendtrans-60.6141.4173.2178.80000111.4D58 E63 Y64D58-S61 VanDerWaalsContact O-CB 3.31Å; D58-S61 WeakPolarHBondContact O-CB 3.38Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact OD1-N 2.92Å; S61-E63 PolarHBondContact O-N 3.14Å; S61-E63 VanDerWaalsContact O-N 3.16Å; S61-E63 WeakPolarHBondContact OG-CB 3.44Å; S61-E63 PolarHBondContact OG-N 2.85Å; S61-E63 VanDerWaalsContact OG-N 3.08Å; S61-Y64 VanDerWaalsContact O-CB 3.32Å; S61-Y64 WeakPolarHBondContact O-CB 3.36Å; S61-Y64 PolarHBondContact O-N 3.25Å
62E75.3Confident84.6Confident184 Ų18469.9 Ų69.986%0.8639%0.385SS*.THydrogen-bonded Turntrans-59.9-21.5169.1-68.5-169.816500112.2K43 Y64K43-E62 WeakPolarHBondContact CE-O 3.35Å; K43-E62 PolarHBondContact NZ-O 3.06Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 2.83Å
63E74.1Confident85.1Confident94 Ų9467.4 Ų67.444%0.43937%0.367SS..THydrogen-bonded Turntrans-70.3-21.1173.2-60-178.7168.800112.7K43 F47 S50 S61K43-E63 WeakPolarHBondContact CE-O 3.3Å; K43-E63 WeakPolarHBondContact CG-O 3.45Å; F47-E63 HydrophobicContact CD2-CB 4.23Å; S50-E63 PolarHBondContact OG-OE2 2.84Å; S61-E63 PolarHBondContact O-N 3.14Å; S61-E63 VanDerWaalsContact O-N 3.16Å; S61-E63 WeakPolarHBondContact OG-CB 3.44Å; S61-E63 PolarHBondContact OG-N 2.85Å; S61-E63 VanDerWaalsContact OG-N 3.08Å
64Y87.3Confident85.5Confident48 Ų4861 Ų6119%0.18834%0.341CS..  trans-61.4125.8-178-174.9-112.9000110.9K43 F47 E59 S61 E62 G66 Y104K43-Y64 VanDerWaalsContact CE-O 3.23Å; K43-Y64 WeakPolarHBondContact CE-O 3.43Å; K43-Y64 PolarHBondContact NZ-O 2.62Å; F47-Y64 HydrophobicContact CD1-CD2 4.28Å; F47-Y64 HydrophobicContact CD2-CD2 4.37Å; F47-Y64 AromaticContact CE1-CD2 3.78Å; F47-Y64 HydrophobicContact CE1-CD2 3.78Å; F47-Y64 HydrophobicContact CE1-CE2 4.14Å; F47-Y64 AromaticContact CE2-CD2 3.88Å; F47-Y64 HydrophobicContact CE2-CD2 3.88Å; F47-Y64 AromaticContact CZ-CD2 3.57Å; F47-Y64 HydrophobicContact CZ-CD2 3.57Å; F47-Y64 HydrophobicContact CZ-CE2 4.2Å; E59-Y64 HydrophobicContact CB-CD2 4.31Å; E59-Y64 HydrophobicContact CB-CE2 4.29Å; E59-Y64 HydrophobicContact CB-CG 4.46Å; E59-Y64 HydrophobicContact CG-CD2 4.3Å; E59-Y64 HydrophobicContact CG-CE2 3.96Å; S61-Y64 VanDerWaalsContact O-CB 3.32Å; S61-Y64 WeakPolarHBondContact O-CB 3.36Å; S61-Y64 PolarHBondContact O-N 3.25Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 2.83Å; Y64-G66 PolarHBondContact O-N 2.85Å; Y64-Y104 HydrophobicContact CE2-CE1 4.13Å
65P89.4Confident85.5Confident10 Ų1066.7 Ų66.77%0.06535%0.354CS..  trans-67.7-22.1-17325.3-35.6000113.6W40 K43 W44 Y104W40-P65 HydrophobicContact CZ2-CB 3.88Å; W40-P65 HydrophobicContact CZ2-CG 4.41Å; W40-P65 PolarHBondContact NE1-O 2.92Å; K43-P65 HydrophobicContact CG-CB 4.47Å; W44-P65 HydrophobicContact CB-CB 4Å; W44-P65 HydrophobicContact CB-CG 4.15Å; P65-Y104 HydrophobicContact CG-CD1 4.4Å; P65-Y104 HydrophobicContact CG-CE1 3.87Å
66G90.9Very high85.5Confident23 Ų2371.6 Ų71.624%0.23737%0.368CS..  trans66.2-157.7-175.400000112.4Y64 Y104Y64-G66 PolarHBondContact O-N 2.85Å; G66-Y104 WeakPolarHBondContact O-CB 3.36Å; G66-Y104 WeakPolarHBondContact O-CD1 3.38Å
67K94.4Very high85.6Confident125 Ų12568.4 Ų68.454%0.54336%0.364SS..SBendtrans-61.6147.3173.1-69.5179.2175.2-173.50110.4W40 D69 Y104 T107W40-K67 PolarHBondContact NE1-O 3.21Å; K67-D69 PolarHBondContact O-N 2.82Å; K67-Y104 WeakPolarHBondContact CG-O 3.46Å; K67-T107 HydrophobicContact CB-CG2 3.87Å; K67-T107 HydrophobicContact CD-CG2 4.31Å
68V95.4Very high85.7Confident0 Ų073.3 Ų73.30%038%0.382CS..BIsolated β-bridgetrans-55.1112.3170.9179.20000109.1L36 W40 W97 F100 V101 G105 C106 T107L36-V68 HydrophobicContact CD1-CG1 3.61Å; W40-V68 HydrophobicContact CH2-CG2 3.82Å; W40-V68 HydrophobicContact CZ2-CB 4.41Å; W40-V68 HydrophobicContact CZ2-CG2 3.76Å; W40-V68 HydrophobicContact CZ3-CG2 4.32Å; V68-W97 HydrophobicContact CG1-CH2 4Å; V68-W97 HydrophobicContact CG1-CZ3 4.04Å; V68-F100 HydrophobicContact CG2-CB 3.71Å; V68-V101 HydrophobicContact CG2-CG2 4.36Å; V68-G105 WeakPolarHBondContact CB-O 3.42Å; V68-G105 WeakPolarHBondContact CG2-O 3.44Å; V68-G105 PolarHBondContact N-O 2.96Å; V68-C106 HydrophobicContact CB-CB 4.36Å; V68-C106 WeakPolarHBondContact O-CA 3.47Å; V68-C106 PolarHBondContact O-SG 3.16Å; V68-T107 PolarHBondContact O-N 3.43Å; V68-T107 PolarHBondContact O-OG1 2.83Å
69D94.2Very high86Confident55 Ų5570.9 Ų70.929%0.29437%0.369SS..  trans-127.4116.6-176.3-167.818.8000112.6K67 S71 T107 H108K67-D69 PolarHBondContact O-N 2.82Å; D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.18Å; D69-S71 PolarHBondContact OD1-N 2.8Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 3.21Å; D69-T107 WeakPolarHBondContact CA-OG1 3.49Å; D69-T107 HydrophobicContact CB-CG2 3.86Å; D69-T107 PolarHBondContact OD1-OG1 3.02Å; D69-H108 IonicContact OD1-CD2 3.94Å; D69-H108 IonicContact OD1-CE1 3.78Å; D69-H108 IonicContact OD1-NE2 2.67Å; D69-H108 PolarHBondContact OD1-NE2 3.29Å
70N95Very high86.3Confident0 Ų070.6 Ų70.60%037%0.366CS..  trans-103.516.8175.9-78.3-9.1000112.4I35 L36 S37 D72 I73 L74 H108 F114I35-N70 PolarHBondContact O-ND2 2.98Å; L36-N70 WeakPolarHBondContact CA-OD1 3.28Å; S37-N70 PolarHBondContact N-OD1 3.4Å; N70-D72 PolarHBondContact O-N 3.41Å; N70-I73 HydrophobicContact CB-CD1 3.83Å; N70-I73 HydrophobicContact CB-CG1 3.67Å; N70-I73 WeakPolarHBondContact O-CG1 3.45Å; N70-I73 PolarHBondContact O-N 3.04Å; N70-L74 PolarHBondContact O-N 3.3Å; N70-H108 PolarHBondContact N-NE2 2.95Å; N70-H108 VanDerWaalsContact N-NE2 3.13Å; N70-F114 HydrophobicContact CB-CD1 4.19Å; N70-F114 HydrophobicContact CB-CE1 3.4Å; N70-F114 HydrophobicContact CB-CE2 4.18Å; N70-F114 HydrophobicContact CB-CZ 3.4Å; N70-F114 VanDerWaalsContact CB-CZ 3.4Å; N70-F114 WeakPolarHBondContact ND2-CD1 3.37Å; N70-F114 WeakPolarHBondContact ND2-CE1 3.3Å; N70-F114 VanDerWaalsContact ND2-CG 3.32Å; N70-F114 WeakPolarHBondContact ND2-CG 3.34Å; N70-F114 WeakPolarHBondContact ND2-CZ 3.32Å
71S93.1Very high86.4Confident63 Ų6372.1 Ų72.144%0.44136%0.364SS..G310 helixtrans-62.9-27.4-174.7-64.40000113.5D69 I73 L74 H108D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.18Å; D69-S71 PolarHBondContact OD1-N 2.8Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 3.21Å; S71-I73 VanDerWaalsContact C-N 3.31Å; S71-L74 PolarHBondContact O-N 2.72Å; S71-H108 PolarHBondContact N-NE2 3.39Å; S71-H108 PolarHBondContact OG-CE1 2.84Å; S71-H108 VanDerWaalsContact OG-CE1 3.3Å; S71-H108 PolarHBondContact OG-NE2 2.81Å
72D91.7Very high86.2Confident51 Ų5176.1 Ų76.127%0.27338%0.383SS..G310 helixtrans-70.9-21.8175.264.7-34.4000113.7S37 N39 N70 K80S37-D72 WeakPolarHBondContact CB-OD1 3.47Å; S37-D72 VanDerWaalsContact OG-CG 3.22Å; S37-D72 PolarHBondContact OG-OD1 2.87Å; S37-D72 VanDerWaalsContact OG-OD1 3.1Å; S37-D72 PolarHBondContact OG-OD2 3.38Å; N39-D72 PolarHBondContact ND2-OD2 3.29Å; N70-D72 PolarHBondContact O-N 3.41Å; D72-K80 VanDerWaalsContact O-CE 3.23Å; D72-K80 WeakPolarHBondContact O-CE 3.15Å; D72-K80 PolarHBondContact O-NZ 3.34Å
73I91.3Very high86.1Confident2 Ų268.1 Ų68.11%0.0135%0.346CS..G310 helixtrans-100.82.5176.865.2164.2000113.2I35 N70 S71 L79 K80 L83 I89 F114I35-I73 HydrophobicContact CG2-CD1 3.71Å; N70-I73 HydrophobicContact CB-CD1 3.83Å; N70-I73 HydrophobicContact CB-CG1 3.67Å; N70-I73 WeakPolarHBondContact O-CG1 3.45Å; N70-I73 PolarHBondContact O-N 3.04Å; S71-I73 VanDerWaalsContact C-N 3.31Å; I73-L79 HydrophobicContact CB-CD1 4.44Å; I73-L79 HydrophobicContact CD1-CD1 3.99Å; I73-L79 HydrophobicContact CG1-CD1 4.31Å; I73-K80 PolarHBondContact O-N 2.86Å; I73-L83 HydrophobicContact CB-CD1 3.75Å; I73-L83 HydrophobicContact CB-CD2 4.31Å; I73-L83 HydrophobicContact CG2-CD1 4.34Å; I73-L83 HydrophobicContact CG2-CD2 4.26Å; I73-I89 HydrophobicContact CB-CG2 4.2Å; I73-I89 HydrophobicContact CD1-CG2 3.72Å; I73-I89 HydrophobicContact CG2-CG2 3.74Å; I73-F114 HydrophobicContact CD1-CD1 4.44Å; I73-F114 HydrophobicContact CD1-CE1 4.38Å
74L90.1Very high85.6Confident28 Ų2865.3 Ų65.315%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-104.5150.3175.9-66.8-177.8000113N70 S71 K78 K80 V113 F114N70-L74 PolarHBondContact O-N 3.3Å; S71-L74 PolarHBondContact O-N 2.72Å; L74-K78 CarbonylContact C-O 3.58Å; L74-K78 VanDerWaalsContact CA-O 3.27Å; L74-K78 WeakPolarHBondContact CA-O 3.48Å; L74-K78 VanDerWaalsContact CD2-O 3.29Å; L74-K78 WeakPolarHBondContact CD2-O 3.35Å; L74-K80 WeakPolarHBondContact O-CE 3.33Å; L74-V113 HydrophobicContact CD2-CG1 3.79Å; L74-F114 HydrophobicContact CD1-CE1 4.32Å; L74-F114 HydrophobicContact CD1-CZ 4Å; L74-F114 HydrophobicContact CD2-CE1 3.75Å; L74-F114 HydrophobicContact CD2-CZ 4.22Å; L74-F114 HydrophobicContact CG-CE1 4.1Å; L74-F114 HydrophobicContact CG-CZ 4.28Å
75Y82.7Confident85Confident182 Ų18266.8 Ų66.871%0.71435%0.345SS*.EExtended strand (participates in β ladder)trans-140.4124.9164.8-178-95.8000108.5G77 K78Y75-G77 PolarHBondContact O-N 3.36Å; Y75-K78 PolarHBondContact N-O 3.27Å; Y75-K78 PolarHBondContact O-N 3.1Å; Y75-K78 VanDerWaalsContact O-O 3.1Å
76D82.2Confident84.2Confident155 Ų15571.5 Ų71.583%0.82937%0.366SS*.THydrogen-bonded Turntrans48.842.4-174.2-158.931.6000114.2K78D76-K78 PolarHBondContact O-N 2.89Å
77G80.4Confident83.3Confident50 Ų5074.1 Ų74.152%0.51538%0.381SS..THydrogen-bonded Turntrans72.8-11.3-178.900000115.6Y75Y75-G77 PolarHBondContact O-N 3.36Å
78K82.6Confident82.6Confident144 Ų14471 Ų7163%0.62637%0.37SS*.EExtended strand (participates in β ladder)trans-88.3156.4170.3-67.7-174.2176.1-172.60110.6L74 Y75 D76 K80L74-K78 CarbonylContact C-O 3.58Å; L74-K78 VanDerWaalsContact CA-O 3.27Å; L74-K78 WeakPolarHBondContact CA-O 3.48Å; L74-K78 VanDerWaalsContact CD2-O 3.29Å; L74-K78 WeakPolarHBondContact CD2-O 3.35Å; Y75-K78 PolarHBondContact N-O 3.27Å; Y75-K78 PolarHBondContact O-N 3.1Å; Y75-K78 VanDerWaalsContact O-O 3.1Å; D76-K78 PolarHBondContact O-N 2.89Å; K78-K80 PolarHBondContact O-N 3.21Å
79L85Confident82.4Confident19 Ų1971 Ų7110%0.09937%0.37CS..EExtended strand (participates in β ladder)trans-60.1128.9167.1-167.371.4000108.6I35 I73 L83 V113 I129 Y130I35-L79 HydrophobicContact CD1-CD2 3.72Å; I35-L79 HydrophobicContact CG2-CD1 4.3Å; I73-L79 HydrophobicContact CB-CD1 4.44Å; I73-L79 HydrophobicContact CD1-CD1 3.99Å; I73-L79 HydrophobicContact CG1-CD1 4.31Å; L79-L83 HydrophobicContact CD1-CD1 3.4Å; L79-L83 VanDerWaalsContact CD1-CD1 3.4Å; L79-L83 HydrophobicContact CD2-CD1 4.16Å; L79-L83 HydrophobicContact CG-CD1 3.53Å; L79-V113 HydrophobicContact CB-CG1 4.2Å; L79-I129 HydrophobicContact CD2-CG2 3.92Å; L79-Y130 HydrophobicContact CB-CE1 4.37Å; L79-Y130 HydrophobicContact CD2-CD1 4.22Å; L79-Y130 HydrophobicContact CD2-CE1 3.62Å; L79-Y130 HydrophobicContact CG-CE1 4.06Å
80K85.2Confident82.3Confident83 Ų8369.4 Ų69.436%0.36136%0.362SS..PPolyproline II helixtrans-51.2147.8174.1-77.6176179.5179.50109.9D72 I73 L74 K78 L83 Y130D72-K80 VanDerWaalsContact O-CE 3.23Å; D72-K80 WeakPolarHBondContact O-CE 3.15Å; D72-K80 PolarHBondContact O-NZ 3.34Å; I73-K80 PolarHBondContact O-N 2.86Å; L74-K80 WeakPolarHBondContact O-CE 3.33Å; K78-K80 PolarHBondContact O-N 3.21Å; K80-L83 HydrophobicContact CB-CD1 4.17Å; K80-L83 HydrophobicContact CB-CD2 3.94Å; K80-L83 HydrophobicContact CB-CG 3.93Å; K80-L83 HydrophobicContact CD-CD2 4.34Å; K80-Y130 VanDerWaalsContact O-CE1 3.24Å; K80-Y130 WeakPolarHBondContact O-CE1 3.26Å; K80-Y130 VanDerWaalsContact O-CZ 3.27Å; K80-Y130 PolarHBondContact O-OH 2.91Å
81E77.7Confident82.2Confident163 Ų16370.2 Ų70.276%0.76237%0.366SS*.THydrogen-bonded Turntrans-70.9150.3172.5-67176.5-164.500111.2L83E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 3.31Å
82N73Confident82.3Confident120 Ų12067.2 Ų67.264%0.64235%0.345SS*.THydrogen-bonded Turntrans56.838.7173.4-49.6-52.8000115.2L84 Y130N82-L84 WeakPolarHBondContact O-CD2 3.31Å; N82-Y130 PolarHBondContact N-OH 3.41Å
83L71.9Confident82.4Confident16 Ų1665.4 Ų65.48%0.08434%0.336CS..  trans-77.3143.3166.1-61.6169000111.1I73 L79 K80 E81 D88 I89 Y130I73-L83 HydrophobicContact CB-CD1 3.75Å; I73-L83 HydrophobicContact CB-CD2 4.31Å; I73-L83 HydrophobicContact CG2-CD1 4.34Å; I73-L83 HydrophobicContact CG2-CD2 4.26Å; L79-L83 HydrophobicContact CD1-CD1 3.4Å; L79-L83 VanDerWaalsContact CD1-CD1 3.4Å; L79-L83 HydrophobicContact CD2-CD1 4.16Å; L79-L83 HydrophobicContact CG-CD1 3.53Å; K80-L83 HydrophobicContact CB-CD1 4.17Å; K80-L83 HydrophobicContact CB-CD2 3.94Å; K80-L83 HydrophobicContact CB-CG 3.93Å; K80-L83 HydrophobicContact CD-CD2 4.34Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 3.31Å; L83-D88 HydrophobicContact CB-CB 4.23Å; L83-D88 HydrophobicContact CD2-CB 3.66Å; L83-I89 HydrophobicContact CB-CD1 4.22Å; L83-I89 HydrophobicContact CB-CG1 4.34Å; L83-I89 HydrophobicContact CB-CG2 4.31Å; L83-I89 HydrophobicContact CD1-CG2 4.01Å; L83-Y130 WeakPolarHBondContact CB-OH 3.16Å; L83-Y130 WeakPolarHBondContact CG-OH 3.19Å; L83-Y130 PolarHBondContact N-OH 3.5Å
84L65Low82.6Confident35 Ų3572 Ų7218%0.18336%0.361CS..  trans-117.1130.2-164.7-45.7179.9000110.4N82 E86 S87 D88 I89 Y804N82-L84 WeakPolarHBondContact O-CD2 3.31Å; L84-E86 PolarHBondContact O-N 3.49Å; L84-S87 PolarHBondContact O-N 2.8Å; L84-D88 WeakPolarHBondContact CB-OD2 3.14Å; L84-D88 VanDerWaalsContact CG-OD2 3.31Å; L84-D88 WeakPolarHBondContact CG-OD2 3.31Å; L84-D88 PolarHBondContact N-OD2 3.48Å; L84-D88 PolarHBondContact O-N 3.21Å; L84-I89 WeakPolarHBondContact O-CG1 3.46Å; L84-I89 PolarHBondContact O-N 3.39Å; L84-I89 VanDerWaalsContact O-N 3.13Å; L84-Y804 HydrophobicContact CB-CE1 4.07Å; L84-Y804 HydrophobicContact CD1-CD1 3.3Å; L84-Y804 HydrophobicContact CD1-CE1 3.37Å; L84-Y804 HydrophobicContact CD1-CG 4.18Å; L84-Y804 HydrophobicContact CD2-CD1 4.04Å; L84-Y804 HydrophobicContact CD2-CE1 3.18Å; L84-Y804 HydrophobicContact CG-CD1 4.14Å; L84-Y804 HydrophobicContact CG-CE1 3.66Å
85L74.2Confident82.8Confident79 Ų7975.5 Ų75.541%0.41438%0.38SS..BIsolated β-bridgetrans-63.4135.4173.9-16567000109.9S87 I89 L91L85-S87 PolarHBondContact O-N 2.98Å; L85-I89 CarbonylContact C-O 3.56Å; L85-I89 WeakPolarHBondContact CA-O 3.43Å; L85-L91 HydrophobicContact CD1-CB 4.01Å; L85-L91 HydrophobicContact CD1-CD1 3.77Å; L85-L91 HydrophobicContact CD1-CG 3.6Å; L85-L91 HydrophobicContact CD2-CD1 4.11Å
86E73Confident83.4Confident108 Ų10866.9 Ų66.951%0.50535%0.346SS..THydrogen-bonded Turntrans67.18.9-174.9-48.8-175.6157.600115.4L38 L84 I89L38-E86 WeakPolarHBondContact CD2-O 3.38Å; L84-E86 PolarHBondContact O-N 3.49Å; E86-I89 PolarHBondContact N-O 3.21Å
87S71.5Confident84Confident79 Ų7960 Ų6055%0.55231%0.308SS*.THydrogen-bonded Turntrans-127.6-51.2172.4-163.70000113.6L38 L84 L85L38-S87 VanDerWaalsContact CD2-O 3.26Å; L38-S87 WeakPolarHBondContact CD2-O 3.25Å; L84-S87 PolarHBondContact O-N 2.8Å; L85-S87 PolarHBondContact O-N 2.98Å
88D79.6Confident84.7Confident59 Ų5963 Ų6332%0.31631%0.307SS..THydrogen-bonded Turntrans-103.6-32.8174-48.8-75.8000112.1L38 L83 L84L38-D88 WeakPolarHBondContact CB-O 3.33Å; L38-D88 PolarHBondContact N-O 3.1Å; L83-D88 HydrophobicContact CB-CB 4.23Å; L83-D88 HydrophobicContact CD2-CB 3.66Å; L84-D88 WeakPolarHBondContact CB-OD2 3.14Å; L84-D88 VanDerWaalsContact CG-OD2 3.31Å; L84-D88 WeakPolarHBondContact CG-OD2 3.31Å; L84-D88 PolarHBondContact N-OD2 3.48Å; L84-D88 PolarHBondContact O-N 3.21Å
89I90.8Very high85.2Confident0 Ų057.3 Ų57.30%028%0.284CS..EExtended strand (participates in β ladder)trans-131151.4-173.654.3168.5000112.1I35 L36 I73 L83 L84 L85 E86 I129I35-I89 HydrophobicContact CG2-CB 3.82Å; I35-I89 HydrophobicContact CG2-CD1 3.9Å; I35-I89 HydrophobicContact CG2-CG1 4.46Å; I35-I89 HydrophobicContact CG2-CG2 3.51Å; L36-I89 CarbonylContact O-C 3.56Å; L36-I89 VanDerWaalsContact O-CA 3.31Å; L36-I89 WeakPolarHBondContact O-CA 3.41Å; I73-I89 HydrophobicContact CB-CG2 4.2Å; I73-I89 HydrophobicContact CD1-CG2 3.72Å; I73-I89 HydrophobicContact CG2-CG2 3.74Å; L83-I89 HydrophobicContact CB-CD1 4.22Å; L83-I89 HydrophobicContact CB-CG1 4.34Å; L83-I89 HydrophobicContact CB-CG2 4.31Å; L83-I89 HydrophobicContact CD1-CG2 4.01Å; L84-I89 WeakPolarHBondContact O-CG1 3.46Å; L84-I89 PolarHBondContact O-N 3.39Å; L84-I89 VanDerWaalsContact O-N 3.13Å; L85-I89 CarbonylContact C-O 3.56Å; L85-I89 WeakPolarHBondContact CA-O 3.43Å; E86-I89 PolarHBondContact N-O 3.21Å; I89-I129 HydrophobicContact CD1-CD1 3.85Å; I89-I129 HydrophobicContact CD1-CG1 4.11Å; I89-I129 HydrophobicContact CD1-CG2 3.7Å
90T92.3Very high85.7Confident21 Ų2156.5 Ų56.513%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-117.3153.7162.4-173.70000109.8L36 L38 W41 I92L36-T90 HydrophobicContact CB-CG2 3.96Å; L36-T90 HydrophobicContact CD2-CG2 4.11Å; L36-T90 HydrophobicContact CG-CG2 4.25Å; L36-T90 PolarHBondContact N-O 2.85Å; L36-T90 PolarHBondContact O-N 3.05Å; L38-T90 HydrophobicContact CD1-CG2 4.46Å; W41-T90 HydrophobicContact CB-CG2 3.84Å; W41-T90 HydrophobicContact CD2-CG2 4.06Å; W41-T90 HydrophobicContact CE3-CG2 4.14Å; W41-T90 HydrophobicContact CG-CG2 3.93Å; T90-I92 HydrophobicContact CG2-CG2 4.19Å
91L93Very high86.1Confident18 Ų1854.6 Ų54.69%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-104.5123.6174.8-81.1170.9000108.9W33 I35 L85 I127 I129W33-L91 HydrophobicContact CE3-CB 4.06Å; W33-L91 WeakPolarHBondContact CZ3-O 3.32Å; I35-L91 HydrophobicContact CG1-CD2 3.82Å; L85-L91 HydrophobicContact CD1-CB 4.01Å; L85-L91 HydrophobicContact CD1-CD1 3.77Å; L85-L91 HydrophobicContact CD1-CG 3.6Å; L85-L91 HydrophobicContact CD2-CD1 4.11Å; L91-I127 HydrophobicContact CD1-CB 3.74Å; L91-I127 HydrophobicContact CD1-CD1 3.9Å; L91-I127 HydrophobicContact CD1-CG1 4.44Å; L91-I127 HydrophobicContact CD1-CG2 3.71Å; L91-I127 HydrophobicContact CD2-CG2 3.86Å; L91-I127 HydrophobicContact CG-CG2 4.46Å; L91-I129 HydrophobicContact CD1-CD1 3.77Å; L91-I129 HydrophobicContact CD2-CD1 3.91Å; L91-I129 HydrophobicContact CG-CD1 3.97Å
92I94.6Very high86.8Confident0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-119.9141.7178.963.5166.7000111.6M23 W33 Y34 L36 W41 T90 V96 W97 F100M23-I92 HydrophobicContact CE-CG2 4.12Å; M23-I92 HydrophobicContact SD-CB 4.15Å; M23-I92 HydrophobicContact SD-CG2 3.89Å; W33-I92 CarbonylContact C-O 3.59Å; W33-I92 WeakPolarHBondContact CA-O 3.39Å; W33-I92 VanDerWaalsContact CE3-C 3.4Å; Y34-I92 PolarHBondContact N-O 3.29Å; Y34-I92 PolarHBondContact O-N 3.37Å; L36-I92 HydrophobicContact CB-CD1 4.37Å; L36-I92 HydrophobicContact CB-CG1 4.37Å; L36-I92 HydrophobicContact CD2-CD1 3.85Å; L36-I92 HydrophobicContact CD2-CG2 4.3Å; W41-I92 HydrophobicContact CE3-CG2 4.05Å; W41-I92 HydrophobicContact CZ3-CG2 3.77Å; T90-I92 HydrophobicContact CG2-CG2 4.19Å; I92-V96 HydrophobicContact CB-CB 4.1Å; I92-V96 HydrophobicContact CB-CG1 4.05Å; I92-V96 HydrophobicContact CD1-CB 4.24Å; I92-V96 HydrophobicContact CD1-CG1 3.87Å; I92-V96 HydrophobicContact CG2-CG1 4.37Å; I92-W97 HydrophobicContact CD1-CB 3.94Å; I92-W97 HydrophobicContact CD1-CE3 4.03Å; I92-W97 HydrophobicContact CG1-CB 4.26Å; I92-W97 HydrophobicContact CG1-CE3 4.39Å; I92-F100 HydrophobicContact CD1-CD2 3.7Å; I92-F100 HydrophobicContact CD1-CE2 3.9Å
93P94.9Very high87.7Confident12 Ų1249.6 Ų49.68%0.07825%0.25CS..EExtended strand (participates in β ladder)trans-59.6152.1175.6-21.430.2000111.6L22 M23 W33 N95 V96 W97L22-P93 WeakPolarHBondContact O-CG 3.45Å; M23-P93 WeakPolarHBondContact SD-CD 3.49Å; M23-P93 HydrophobicContact SD-CG 4.39Å; W33-P93 HydrophobicContact CD2-CB 4.5Å; W33-P93 HydrophobicContact CD2-CG 4.36Å; W33-P93 HydrophobicContact CE3-CG 4.09Å; W33-P93 HydrophobicContact CH2-CG 3.61Å; W33-P93 HydrophobicContact CZ2-CB 4.46Å; W33-P93 HydrophobicContact CZ2-CG 3.87Å; W33-P93 VanDerWaalsContact CZ3-CD 3.48Å; W33-P93 HydrophobicContact CZ3-CG 3.73Å; P93-N95 PolarHBondContact O-N 2.8Å; P93-V96 HydrophobicContact CB-CG2 4.43Å; P93-V96 HydrophobicContact CG-CG2 4.21Å; P93-V96 WeakPolarHBondContact O-CA 3.35Å; P93-V96 PolarHBondContact O-N 3Å; P93-W97 PolarHBondContact O-N 2.9Å
94R94.8Very high88.7Confident141 Ų14149.7 Ų49.753%0.53225%0.249SC..Hα-helixtrans-47.5-34.4173.7179.1171.9-169.1-150.15114.3L32 Y34 K98L32-R94 HydrophobicContact CB-CB 4.13Å; L32-R94 VanDerWaalsContact O-CB 3.26Å; L32-R94 WeakPolarHBondContact O-CB 3.34Å; L32-R94 PolarHBondContact O-N 3.2Å; Y34-R94 HydrophobicContact CD2-CB 4.36Å; Y34-R94 HydrophobicContact CE2-CB 3.84Å; Y34-R94 HydrophobicContact CE2-CG 3.89Å; R94-K98 VanDerWaalsContact O-CB 3.26Å; R94-K98 WeakPolarHBondContact O-CB 3.37Å; R94-K98 PolarHBondContact O-N 2.94Å
95N94Very high90.1Very high102 Ų10249.1 Ų49.155%0.54525%0.252SS..Hα-helixtrans-69.7-36.2178.9-66.2-19.1000112.5L22 P93 L99L22-N95 HydrophobicContact CD1-CB 3.95Å; L22-N95 HydrophobicContact CD2-CB 3.85Å; L22-N95 HydrophobicContact CG-CB 4.44Å; P93-N95 PolarHBondContact O-N 2.8Å; N95-L99 VanDerWaalsContact O-CB 3.29Å; N95-L99 WeakPolarHBondContact O-CB 3.28Å; N95-L99 PolarHBondContact O-N 3.19Å
96V95.2Very high90.9Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-73.3-45174.6-178.10000110V19 L22 M23 I92 P93 K98 L99 F100V19-V96 HydrophobicContact CG1-CG1 3.97Å; V19-V96 HydrophobicContact CG2-CG1 4.28Å; L22-V96 HydrophobicContact CB-CG2 3.47Å; L22-V96 VanDerWaalsContact CB-CG2 3.47Å; L22-V96 HydrophobicContact CD1-CG2 4.21Å; M23-V96 HydrophobicContact CG-CG2 4.26Å; M23-V96 HydrophobicContact SD-CG1 4.46Å; M23-V96 HydrophobicContact SD-CG2 4.04Å; I92-V96 HydrophobicContact CB-CB 4.1Å; I92-V96 HydrophobicContact CB-CG1 4.05Å; I92-V96 HydrophobicContact CD1-CB 4.24Å; I92-V96 HydrophobicContact CD1-CG1 3.87Å; I92-V96 HydrophobicContact CG2-CG1 4.37Å; P93-V96 HydrophobicContact CB-CG2 4.43Å; P93-V96 HydrophobicContact CG-CG2 4.21Å; P93-V96 WeakPolarHBondContact O-CA 3.35Å; P93-V96 PolarHBondContact O-N 3Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.88Å; V96-L99 WeakPolarHBondContact O-CB 3.43Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-L99 VanDerWaalsContact O-N 3.08Å; V96-F100 HydrophobicContact CG1-CD2 4.07Å; V96-F100 HydrophobicContact CG1-CE1 4.49Å; V96-F100 HydrophobicContact CG1-CE2 3.66Å; V96-F100 HydrophobicContact CG1-CZ 3.9Å; V96-F100 PolarHBondContact O-N 2.8Å
97W95.1Very high91.8Very high10 Ų1044.6 Ų44.64%0.03824%0.236CC..Hα-helixtrans-57-47.3175.2179-91000111.3Y34 L36 V68 I92 P93 L99 F100 V101 I111 F114Y34-W97 AromaticContact CD1-CD2 3.82Å; Y34-W97 HydrophobicContact CD1-CD2 3.82Å; Y34-W97 AromaticContact CD1-CE2 3.87Å; Y34-W97 HydrophobicContact CD1-CE3 4.32Å; Y34-W97 AromaticContact CD1-CG 3.96Å; Y34-W97 HydrophobicContact CD1-CG 3.96Å; Y34-W97 HydrophobicContact CD1-CZ2 4.45Å; Y34-W97 AromaticContact CD1-NE1 3.93Å; Y34-W97 HydrophobicContact CD2-CB 3.57Å; Y34-W97 AromaticContact CD2-CD1 3.97Å; Y34-W97 HydrophobicContact CD2-CD2 4.23Å; Y34-W97 AromaticContact CD2-CG 3.63Å; Y34-W97 HydrophobicContact CD2-CG 3.63Å; Y34-W97 HydrophobicContact CE2-CB 4.28Å; Y34-W97 HydrophobicContact CE2-CG 4.21Å; Y34-W97 HydrophobicContact CG-CB 3.84Å; Y34-W97 AromaticContact CG-CD1 3.93Å; Y34-W97 AromaticContact CG-CD2 3.59Å; Y34-W97 HydrophobicContact CG-CD2 3.59Å; Y34-W97 AromaticContact CG-CE3 3.96Å; Y34-W97 HydrophobicContact CG-CE3 3.96Å; Y34-W97 AromaticContact CG-CG 3.5Å; Y34-W97 HydrophobicContact CG-CG 3.5Å; Y34-W97 VanDerWaalsContact CG-CG 3.5Å; L36-W97 HydrophobicContact CD1-CZ3 4.17Å; V68-W97 HydrophobicContact CG1-CH2 4Å; V68-W97 HydrophobicContact CG1-CZ3 4.04Å; I92-W97 HydrophobicContact CD1-CB 3.94Å; I92-W97 HydrophobicContact CD1-CE3 4.03Å; I92-W97 HydrophobicContact CG1-CB 4.26Å; I92-W97 HydrophobicContact CG1-CE3 4.39Å; P93-W97 PolarHBondContact O-N 2.9Å; W97-L99 VanDerWaalsContact C-N 3.35Å; W97-L99 PolarHBondContact O-N 3.3Å; W97-F100 PolarHBondContact O-N 2.78Å; W97-V101 HydrophobicContact CD2-CG2 4.35Å; W97-V101 HydrophobicContact CG-CG2 4.49Å; W97-V101 HydrophobicContact CZ2-CG2 4.19Å; W97-V101 WeakPolarHBondContact O-CG2 3.34Å; W97-V101 PolarHBondContact O-N 2.73Å; W97-I111 HydrophobicContact CZ2-CB 4.43Å; W97-I111 HydrophobicContact CZ2-CG2 4.09Å; W97-F114 HydrophobicContact CH2-CB 4.41Å; W97-F114 AromaticContact CH2-CD2 3.77Å; W97-F114 HydrophobicContact CH2-CD2 3.77Å; W97-F114 HydrophobicContact CH2-CE2 4.41Å; W97-F114 HydrophobicContact CH2-CG 4.28Å; W97-F114 HydrophobicContact CZ2-CD2 4.15Å
98K94.7Very high92.7Very high114 Ų11442.5 Ų42.550%0.49622%0.218SC..Hα-helixtrans-60.2-42.9174.7179.2165.6175.150.70112.1R94 V96 F100 V101 D102R94-K98 VanDerWaalsContact O-CB 3.26Å; R94-K98 WeakPolarHBondContact O-CB 3.37Å; R94-K98 PolarHBondContact O-N 2.94Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.88Å; K98-F100 PolarHBondContact O-N 3.26Å; K98-V101 PolarHBondContact O-N 3.3Å; K98-D102 VanDerWaalsContact CE-OD2 3.23Å; K98-D102 WeakPolarHBondContact CE-OD2 3.39Å; K98-D102 WeakPolarHBondContact CG-OD2 3.28Å; K98-D102 IonicContact NZ-OD1 3.08Å; K98-D102 PolarHBondContact NZ-OD1 3.43Å; K98-D102 IonicContact NZ-OD2 3.29Å; K98-D102 PolarHBondContact NZ-OD2 3.23Å; K98-D102 WeakPolarHBondContact O-CB 3.18Å; K98-D102 PolarHBondContact O-N 3.31Å
99L94.1Very high93.1Very high25 Ų2546.9 Ų46.913%0.13125%0.247CC..Hα-helixtrans-62.3-40178175.9157.7000112.2Q15 K18 V19 L22 N95 V96 W97 F103Q15-L99 HydrophobicContact CG-CD2 3.71Å; K18-L99 HydrophobicContact CB-CD1 4.27Å; K18-L99 HydrophobicContact CD-CD1 3.78Å; K18-L99 HydrophobicContact CG-CD1 3.8Å; V19-L99 HydrophobicContact CG2-CD1 4.37Å; V19-L99 HydrophobicContact CG2-CD2 3.72Å; L22-L99 HydrophobicContact CD1-CD1 4.27Å; N95-L99 VanDerWaalsContact O-CB 3.29Å; N95-L99 WeakPolarHBondContact O-CB 3.28Å; N95-L99 PolarHBondContact O-N 3.19Å; V96-L99 WeakPolarHBondContact O-CB 3.43Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-L99 VanDerWaalsContact O-N 3.08Å; W97-L99 VanDerWaalsContact C-N 3.35Å; W97-L99 PolarHBondContact O-N 3.3Å; L99-F103 VanDerWaalsContact O-CB 3.28Å; L99-F103 WeakPolarHBondContact O-CB 3.29Å; L99-F103 PolarHBondContact O-N 3.16Å
100F95.8Very high92.9Very high1 Ų151 Ų510%0.00427%0.269CS..Hα-helixtrans-70.3-46.6175-68.1-28.2000112.4V19 L36 W40 W41 W44 V68 I92 V96 W97 K98 F103 Y104V19-F100 HydrophobicContact CG1-CZ 4.22Å; V19-F100 HydrophobicContact CG2-CE1 3.71Å; V19-F100 HydrophobicContact CG2-CZ 4.05Å; L36-F100 HydrophobicContact CD2-CD2 4.17Å; L36-F100 HydrophobicContact CD2-CE2 3.92Å; W40-F100 HydrophobicContact CH2-CB 4.27Å; W40-F100 HydrophobicContact CH2-CD1 4.28Å; W40-F100 HydrophobicContact CH2-CD2 4.28Å; W40-F100 HydrophobicContact CH2-CG 4.07Å; W40-F100 HydrophobicContact CZ3-CD1 4.39Å; W40-F100 AromaticContact CZ3-CD2 3.77Å; W40-F100 HydrophobicContact CZ3-CD2 3.77Å; W40-F100 AromaticContact CZ3-CE2 3.91Å; W40-F100 HydrophobicContact CZ3-CE2 3.91Å; W40-F100 HydrophobicContact CZ3-CG 4.03Å; W40-F100 HydrophobicContact CZ3-CZ 4.29Å; W41-F100 AromaticContact CE3-CE2 3.86Å; W41-F100 HydrophobicContact CE3-CE2 3.86Å; W41-F100 HydrophobicContact CE3-CZ 4.07Å; W41-F100 AromaticContact CZ3-CE2 3.7Å; W41-F100 HydrophobicContact CZ3-CE2 3.7Å; W41-F100 AromaticContact CZ3-CZ 3.7Å; W41-F100 HydrophobicContact CZ3-CZ 3.7Å; W44-F100 AromaticContact CD2-CE1 3.87Å; W44-F100 HydrophobicContact CD2-CE1 3.87Å; W44-F100 AromaticContact CD2-CZ 3.91Å; W44-F100 HydrophobicContact CD2-CZ 3.91Å; W44-F100 AromaticContact CE2-CE1 3.52Å; W44-F100 HydrophobicContact CE3-CE1 4.32Å; W44-F100 AromaticContact CE3-CZ 3.95Å; W44-F100 HydrophobicContact CE3-CZ 3.95Å; W44-F100 HydrophobicContact CG-CE1 4.38Å; W44-F100 HydrophobicContact CH2-CE1 4.2Å; W44-F100 HydrophobicContact CH2-CZ 4.23Å; W44-F100 AromaticContact CZ2-CE1 3.73Å; W44-F100 HydrophobicContact CZ2-CE1 3.73Å; W44-F100 HydrophobicContact CZ2-CZ 4.19Å; W44-F100 HydrophobicContact CZ3-CE1 4.47Å; W44-F100 HydrophobicContact CZ3-CZ 4.11Å; W44-F100 AromaticContact NE1-CE1 3.8Å; V68-F100 HydrophobicContact CG2-CB 3.71Å; I92-F100 HydrophobicContact CD1-CD2 3.7Å; I92-F100 HydrophobicContact CD1-CE2 3.9Å; V96-F100 HydrophobicContact CG1-CD2 4.07Å; V96-F100 HydrophobicContact CG1-CE1 4.49Å; V96-F100 HydrophobicContact CG1-CE2 3.66Å; V96-F100 HydrophobicContact CG1-CZ 3.9Å; V96-F100 PolarHBondContact O-N 2.8Å; W97-F100 PolarHBondContact O-N 2.78Å; K98-F100 PolarHBondContact O-N 3.26Å; F100-F103 PolarHBondContact O-N 2.78Å; F100-Y104 HydrophobicContact CB-CD2 4.46Å; F100-Y104 HydrophobicContact CD1-CD2 4.39Å; F100-Y104 HydrophobicContact CD1-CE2 4.22Å; F100-Y104 WeakPolarHBondContact O-CB 3.19Å; F100-Y104 PolarHBondContact O-N 2.85Å
101V93.7Very high92.8Very high44 Ų4453.3 Ų53.327%0.26728%0.279SS..Hα-helixtrans-67.9-37.9-179.4176.40000112.2V68 W97 K98 F103 G105 C106V68-V101 HydrophobicContact CG2-CG2 4.36Å; W97-V101 HydrophobicContact CD2-CG2 4.35Å; W97-V101 HydrophobicContact CG-CG2 4.49Å; W97-V101 HydrophobicContact CZ2-CG2 4.19Å; W97-V101 WeakPolarHBondContact O-CG2 3.34Å; W97-V101 PolarHBondContact O-N 2.73Å; K98-V101 PolarHBondContact O-N 3.3Å; V101-F103 PolarHBondContact O-N 3.18Å; V101-G105 WeakPolarHBondContact O-CA 3.42Å; V101-G105 PolarHBondContact O-N 3.29Å; V101-C106 HydrophobicContact CG1-CB 4.28Å; V101-C106 HydrophobicContact CG2-CB 4.15Å
102D92.7Very high92.6Very high108 Ų10855.8 Ų55.858%0.57830%0.298SS*.Hα-helixtrans-66.4-25.5175.9-72.8-8.5000112.4K98K98-D102 VanDerWaalsContact CE-OD2 3.23Å; K98-D102 WeakPolarHBondContact CE-OD2 3.39Å; K98-D102 WeakPolarHBondContact CG-OD2 3.28Å; K98-D102 IonicContact NZ-OD1 3.08Å; K98-D102 PolarHBondContact NZ-OD1 3.43Å; K98-D102 IonicContact NZ-OD2 3.29Å; K98-D102 PolarHBondContact NZ-OD2 3.23Å; K98-D102 WeakPolarHBondContact O-CB 3.18Å; K98-D102 PolarHBondContact O-N 3.31Å
103F91.7Very high92.4Very high70 Ų7057.4 Ų57.431%0.30731%0.308SS..Hα-helixtrans-97.6-49.8-176.5-167.9-82.4000113.2I7 T11 F12 Q15 L99 F100 V101I7-F103 HydrophobicContact CD1-CE1 4.33Å; I7-F103 HydrophobicContact CD1-CZ 3.95Å; I7-F103 HydrophobicContact CG2-CZ 4.11Å; T11-F103 HydrophobicContact CG2-CE2 3.95Å; T11-F103 HydrophobicContact CG2-CZ 4.33Å; F12-F103 HydrophobicContact CD1-CE1 4.45Å; F12-F103 HydrophobicContact CD1-CZ 4.4Å; F12-F103 AromaticContact CE1-CE1 3.67Å; F12-F103 HydrophobicContact CE1-CE1 3.67Å; F12-F103 AromaticContact CE1-CZ 3.86Å; F12-F103 HydrophobicContact CE1-CZ 3.86Å; F12-F103 HydrophobicContact CZ-CE1 4.14Å; F12-F103 HydrophobicContact CZ-CZ 4.12Å; Q15-F103 VanDerWaalsContact NE2-CG 3.26Å; L99-F103 VanDerWaalsContact O-CB 3.28Å; L99-F103 WeakPolarHBondContact O-CB 3.29Å; L99-F103 PolarHBondContact O-N 3.16Å; F100-F103 PolarHBondContact O-N 2.78Å; V101-F103 PolarHBondContact O-N 3.18Å
104Y92.7Very high92.4Very high17 Ų1756.9 Ų56.97%0.06730%0.304CS..Hα-helixtrans-97.6-20.2-175.6-64.2-75.9000113.4F12 Q15 W40 W44 Y64 P65 G66 K67 F100F12-Y104 HydrophobicContact CE1-CE1 4.47Å; Q15-Y104 PolarHBondContact OE1-OH 3.42Å; Q15-Y104 VanDerWaalsContact OE1-OH 3.05Å; W40-Y104 AromaticContact CH2-CD2 3.82Å; W40-Y104 HydrophobicContact CH2-CD2 3.82Å; W40-Y104 HydrophobicContact CH2-CE2 4.11Å; W40-Y104 HydrophobicContact CH2-CG 4.35Å; W40-Y104 HydrophobicContact CZ2-CD2 4.07Å; W40-Y104 HydrophobicContact CZ2-CG 4.12Å; W44-Y104 AromaticContact CD1-CE2 3.58Å; W44-Y104 AromaticContact CD1-CZ 3.53Å; W44-Y104 AromaticContact NE1-CE2 3.61Å; W44-Y104 AromaticContact NE1-CZ 3.67Å; W44-Y104 PolarHBondContact NE1-OH 2.93Å; Y64-Y104 HydrophobicContact CE2-CE1 4.13Å; P65-Y104 HydrophobicContact CG-CD1 4.4Å; P65-Y104 HydrophobicContact CG-CE1 3.87Å; G66-Y104 WeakPolarHBondContact O-CB 3.36Å; G66-Y104 WeakPolarHBondContact O-CD1 3.38Å; K67-Y104 WeakPolarHBondContact CG-O 3.46Å; F100-Y104 HydrophobicContact CB-CD2 4.46Å; F100-Y104 HydrophobicContact CD1-CD2 4.39Å; F100-Y104 HydrophobicContact CD1-CE2 4.22Å; F100-Y104 WeakPolarHBondContact O-CB 3.19Å; F100-Y104 PolarHBondContact O-N 2.85Å
105G93.2Very high92.3Very high24 Ų2453.3 Ų53.325%0.24729%0.294CS..  trans74.7177.8-163.800000112.6V68 V101V68-G105 WeakPolarHBondContact CB-O 3.42Å; V68-G105 WeakPolarHBondContact CG2-O 3.44Å; V68-G105 PolarHBondContact N-O 2.96Å; V101-G105 WeakPolarHBondContact O-CA 3.42Å; V101-G105 PolarHBondContact O-N 3.29Å
106C92.3Very high92.2Very high27 Ų2750 Ų5018%0.18227%0.274CS..BIsolated β-bridgetrans-128.4150.9176.1-169.90000110.3V68 V101 H108V68-C106 HydrophobicContact CB-CB 4.36Å; V68-C106 WeakPolarHBondContact O-CA 3.47Å; V68-C106 PolarHBondContact O-SG 3.16Å; V101-C106 HydrophobicContact CG1-CB 4.28Å; V101-C106 HydrophobicContact CG2-CB 4.15Å; C106-H108 PolarHBondContact SG-N 3.08Å
107T92Very high92Very high64 Ų6456.6 Ų56.639%0.39330%0.299SS..SBendtrans-80.3-28.1172.350.70000112.6K67 V68 D69K67-T107 HydrophobicContact CB-CG2 3.87Å; K67-T107 HydrophobicContact CD-CG2 4.31Å; V68-T107 PolarHBondContact O-N 3.43Å; V68-T107 PolarHBondContact O-OG1 2.83Å; D69-T107 WeakPolarHBondContact CA-OG1 3.49Å; D69-T107 HydrophobicContact CB-CG2 3.86Å; D69-T107 PolarHBondContact OD1-OG1 3.02Å
108H90.1Very high91.7Very high36 Ų3656.2 Ų56.217%0.16730%0.298CS..  trans-90.3135.7-172.4-61.9-74.7000112.4D69 N70 S71 C106 F114D69-H108 IonicContact OD1-CD2 3.94Å; D69-H108 IonicContact OD1-CE1 3.78Å; D69-H108 IonicContact OD1-NE2 2.67Å; D69-H108 PolarHBondContact OD1-NE2 3.29Å; N70-H108 PolarHBondContact N-NE2 2.95Å; N70-H108 VanDerWaalsContact N-NE2 3.13Å; S71-H108 PolarHBondContact N-NE2 3.39Å; S71-H108 PolarHBondContact OG-CE1 2.84Å; S71-H108 VanDerWaalsContact OG-CE1 3.3Å; S71-H108 PolarHBondContact OG-NE2 2.81Å; C106-H108 PolarHBondContact SG-N 3.08Å; H108-F114 HydrophobicContact CB-CE2 3.75Å; H108-F114 HydrophobicContact CB-CZ 4.21Å; H108-F114 AromaticContact CD2-CZ 3.92Å; H108-F114 AromaticContact CG-CE2 3.75Å; H108-F114 AromaticContact CG-CZ 3.73Å
109T87.1Confident91.2Very high151 Ų15152 Ų5293%0.92628%0.281SS*.SBendtrans-86.8-36.1177.247.60000112.9
110D87.3Confident90.7Very high86 Ų8655.2 Ų55.246%0.4630%0.295SS..  trans-97.6106.3171.3-173.70.8000109.9S112D110-S112 VanDerWaalsContact OD1-CB 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.32Å; D110-S112 PolarHBondContact OD1-N 2.97Å; D110-S112 PolarHBondContact OD1-OG 3.31Å; D110-S112 PolarHBondContact OD2-OG 2.85Å
111I90.6Very high89.8Confident69 Ų6955.5 Ų55.535%0.35430%0.297SS..  trans-89.8-6.8176.662169.7000113W97 V113 F114 E115W97-I111 HydrophobicContact CZ2-CB 4.43Å; W97-I111 HydrophobicContact CZ2-CG2 4.09Å; I111-V113 VanDerWaalsContact C-N 3.26Å; I111-V113 PolarHBondContact O-N 3.43Å; I111-F114 PolarHBondContact O-N 2.68Å; I111-F114 VanDerWaalsContact O-N 3.15Å; I111-E115 PolarHBondContact O-N 2.83Å
112S88.6Confident88.6Confident71 Ų7159 Ų5950%0.49732%0.321SS..G310 helixtrans-66.9-29.6-176.972.50000112.2D110 F114 E115D110-S112 VanDerWaalsContact OD1-CB 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.32Å; D110-S112 PolarHBondContact OD1-N 2.97Å; D110-S112 PolarHBondContact OD1-OG 3.31Å; D110-S112 PolarHBondContact OD2-OG 2.85Å; S112-F114 PolarHBondContact O-N 3.43Å; S112-E115 PolarHBondContact O-N 2.75Å; S112-E115 VanDerWaalsContact O-N 3.16Å
113V89.9Confident87.6Confident33 Ų3363.7 Ų63.720%0.234%0.336CS..G310 helixtrans-57.1-30173.9-1760000112.2L74 L79 I111 R116L74-V113 HydrophobicContact CD2-CG1 3.79Å; L79-V113 HydrophobicContact CB-CG1 4.2Å; I111-V113 VanDerWaalsContact C-N 3.26Å; I111-V113 PolarHBondContact O-N 3.43Å; V113-R116 PolarHBondContact O-NH1 2.68Å; V113-R116 PolarHBondContact O-NH2 3.31Å
114F93.7Very high86.9Confident1 Ų163.7 Ų63.70%0.00435%0.345CS..G310 helixtrans-95.3-18.6-180-47.6-54000113.9Y34 I35 N70 I73 L74 W97 H108 I111 S112Y34-F114 WeakPolarHBondContact CA-O 3.34Å; Y34-F114 HydrophobicContact CD1-CB 4.33Å; I35-F114 HydrophobicContact CB-CB 4.41Å; I35-F114 PolarHBondContact N-O 2.66Å; N70-F114 HydrophobicContact CB-CD1 4.19Å; N70-F114 HydrophobicContact CB-CE1 3.4Å; N70-F114 HydrophobicContact CB-CE2 4.18Å; N70-F114 HydrophobicContact CB-CZ 3.4Å; N70-F114 VanDerWaalsContact CB-CZ 3.4Å; N70-F114 WeakPolarHBondContact ND2-CD1 3.37Å; N70-F114 WeakPolarHBondContact ND2-CE1 3.3Å; N70-F114 VanDerWaalsContact ND2-CG 3.32Å; N70-F114 WeakPolarHBondContact ND2-CG 3.34Å; N70-F114 WeakPolarHBondContact ND2-CZ 3.32Å; I73-F114 HydrophobicContact CD1-CD1 4.44Å; I73-F114 HydrophobicContact CD1-CE1 4.38Å; L74-F114 HydrophobicContact CD1-CE1 4.32Å; L74-F114 HydrophobicContact CD1-CZ 4Å; L74-F114 HydrophobicContact CD2-CE1 3.75Å; L74-F114 HydrophobicContact CD2-CZ 4.22Å; L74-F114 HydrophobicContact CG-CE1 4.1Å; L74-F114 HydrophobicContact CG-CZ 4.28Å; W97-F114 HydrophobicContact CH2-CB 4.41Å; W97-F114 AromaticContact CH2-CD2 3.77Å; W97-F114 HydrophobicContact CH2-CD2 3.77Å; W97-F114 HydrophobicContact CH2-CE2 4.41Å; W97-F114 HydrophobicContact CH2-CG 4.28Å; W97-F114 HydrophobicContact CZ2-CD2 4.15Å; H108-F114 HydrophobicContact CB-CE2 3.75Å; H108-F114 HydrophobicContact CB-CZ 4.21Å; H108-F114 AromaticContact CD2-CZ 3.92Å; H108-F114 AromaticContact CG-CE2 3.75Å; H108-F114 AromaticContact CG-CZ 3.73Å; I111-F114 PolarHBondContact O-N 2.68Å; I111-F114 VanDerWaalsContact O-N 3.15Å; S112-F114 PolarHBondContact O-N 3.43Å
115E94Very high86.4Confident67 Ų6763.5 Ų63.531%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-72129.1-176.2-172.8169.8126.900110.9L32 Y34 I111 S112L32-E115 HydrophobicContact CD2-CG 3.8Å; L32-E115 VanDerWaalsContact CD2-OE1 3.3Å; L32-E115 WeakPolarHBondContact CD2-OE1 3.49Å; Y34-E115 HydrophobicContact CD1-CB 4.15Å; Y34-E115 HydrophobicContact CE1-CB 3.67Å; Y34-E115 HydrophobicContact CE1-CG 3.92Å; Y34-E115 PolarHBondContact OH-OE2 2.84Å; I111-E115 PolarHBondContact O-N 2.83Å; S112-E115 PolarHBondContact O-N 2.75Å; S112-E115 VanDerWaalsContact O-N 3.16Å
116R91.4Very high86Confident31 Ų3165.3 Ų65.312%0.11735%0.349CS..EExtended strand (participates in β ladder)trans-130.2144172.6-63.1-61.6179.5-80.7-5110.9W33 I35 V113 I127 E128 I129W33-R116 PolarHBondContact N-O 3.08Å; W33-R116 PolarHBondContact O-N 3.36Å; W33-R116 VanDerWaalsContact O-O 3.06Å; I35-R116 HydrophobicContact CD1-CG 3.81Å; I35-R116 VanDerWaalsContact CD1-CZ 3.48Å; I35-R116 HydrophobicContact CG1-CG 4.04Å; V113-R116 PolarHBondContact O-NH1 2.68Å; V113-R116 PolarHBondContact O-NH2 3.31Å; R116-I127 HydrophobicContact CB-CG2 3.5Å; R116-I127 HydrophobicContact CG-CG2 4.17Å; R116-E128 VanDerWaalsContact CD-O 3.31Å; R116-E128 WeakPolarHBondContact CD-O 3.42Å; R116-I129 VanDerWaalsContact CZ-O 3.24Å; R116-I129 PolarHBondContact NE-O 2.86Å; R116-I129 PolarHBondContact NH2-O 3.41Å
117R91.1Very high85.7Confident139 Ų13965 Ų6553%0.52535%0.346SS..EExtended strand (participates in β ladder)trans-105.4130.3176.2-169.6175.3-61.5-80.2-0.6109.5G30 D31 L32 I119G30-R117 PolarHBondContact O-NH1 3.31Å; D31-R117 CarbonylContact O-C 3.54Å; D31-R117 WeakPolarHBondContact O-CA 3.16Å; L32-R117 HydrophobicContact CD2-CB 4.39Å; R117-I119 PolarHBondContact O-N 3.19Å
118A88.5Confident85.3Confident3 Ų362.9 Ų62.93%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-63.6125.3175.800000110.9I27 T28 G30 D31 E126 I127I27-A118 HydrophobicContact CG2-CB 3.47Å; I27-A118 VanDerWaalsContact CG2-CB 3.47Å; T28-A118 WeakPolarHBondContact O-CB 3.44Å; G30-A118 PolarHBondContact N-O 3.14Å; D31-A118 HydrophobicContact CB-CB 4.24Å; D31-A118 PolarHBondContact O-N 3.21Å; A118-E126 CarbonylContact C-O 3.57Å; A118-E126 WeakPolarHBondContact CA-O 3.44Å; A118-I127 HydrophobicContact CB-CG1 4.11Å
119I84.6Confident85.1Confident25 Ų2562.3 Ų62.313%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-98.2159.4176.359.1173.7000109.9R117 A125 E126 E128 C154 K155 F156R117-I119 PolarHBondContact O-N 3.19Å; I119-A125 CarbonylContact O-C 3.26Å; I119-A125 WeakPolarHBondContact O-CA 3.23Å; I119-A125 WeakPolarHBondContact O-CB 3.34Å; I119-E126 HydrophobicContact CD1-CG 4.16Å; I119-E126 HydrophobicContact CG1-CG 3.86Å; I119-E126 WeakPolarHBondContact CG1-O 3.38Å; I119-E126 PolarHBondContact N-O 2.81Å; I119-E126 PolarHBondContact O-N 3.09Å; I119-E128 HydrophobicContact CD1-CB 3.91Å; I119-C154 HydrophobicContact CG2-CB 4.16Å; I119-K155 HydrophobicContact CD1-CG 4.42Å; I119-F156 HydrophobicContact CD1-CD2 3.8Å; I119-F156 HydrophobicContact CD1-CE2 3.72Å; I119-F156 HydrophobicContact CG1-CD2 4.41Å; I119-F156 HydrophobicContact CG1-CE2 4.3Å
120Q84.5Confident84.9Confident93 Ų9357.1 Ų57.144%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-92.7106.8175.8-17865.964.500109.2K29 S124 F156K29-Q120 HydrophobicContact CB-CB 4.36Å; K29-Q120 HydrophobicContact CD-CB 3.85Å; K29-Q120 HydrophobicContact CG-CB 4.01Å; Q120-S124 PolarHBondContact NE2-O 2.98Å; Q120-F156 WeakPolarHBondContact O-CD2 3.35Å
121A75Confident84.8Confident6 Ų654.9 Ų54.95%0.0528%0.283CS..  trans-82.2167.8167.500000110.9K123 S124 E126 F156A121-K123 PolarHBondContact O-N 3.37Å; A121-K123 VanDerWaalsContact O-N 3.14Å; A121-S124 CarbonylContact C-O 3.58Å; A121-S124 WeakPolarHBondContact CA-O 3.21Å; A121-S124 VanDerWaalsContact CB-O 3.23Å; A121-S124 WeakPolarHBondContact CB-O 3.41Å; A121-S124 PolarHBondContact N-O 2.98Å; A121-E126 HydrophobicContact CB-CG 3.89Å; A121-E126 WeakPolarHBondContact CB-OE2 3.31Å; A121-F156 VanDerWaalsContact CA-CE2 3.41Å; A121-F156 HydrophobicContact CB-CD2 4.34Å; A121-F156 HydrophobicContact CB-CE1 4.36Å; A121-F156 HydrophobicContact CB-CE2 3.39Å; A121-F156 HydrophobicContact CB-CZ 3.39Å
122P69.9Low84.2Confident119 Ų11951.8 Ų51.877%0.77327%0.267SS*.SBendtrans-61-20179.8-27.336000115.7F156P122-F156 HydrophobicContact CG-CE1 4.26Å
123K70.5Confident84Confident206 Ų20651 Ų5190%0.89626%0.256SS*.SBendtrans-108.4-40.9-177.7-68.6178.9-178.6172.40113.9A121A121-K123 PolarHBondContact O-N 3.37Å; A121-K123 VanDerWaalsContact O-N 3.14Å
124S78.6Confident84Confident69 Ų6949.5 Ų49.548%0.48325%0.247SC..SBendtrans-154.2174-175.654.90000109.3Q120 A121Q120-S124 PolarHBondContact NE2-O 2.98Å; A121-S124 CarbonylContact C-O 3.58Å; A121-S124 WeakPolarHBondContact CA-O 3.21Å; A121-S124 VanDerWaalsContact CB-O 3.23Å; A121-S124 WeakPolarHBondContact CB-O 3.41Å; A121-S124 PolarHBondContact N-O 2.98Å
125A81.5Confident83.7Confident14 Ų1450.2 Ų50.212%0.11625%0.252CS..EExtended strand (participates in β ladder)trans-72147.5161.400000109.5I27 I119I27-A125 HydrophobicContact CB-CB 4.4Å; I27-A125 HydrophobicContact CG2-CB 3.86Å; I27-A125 WeakPolarHBondContact O-CB 2.83Å; I119-A125 CarbonylContact O-C 3.26Å; I119-A125 WeakPolarHBondContact O-CA 3.23Å; I119-A125 WeakPolarHBondContact O-CB 3.34Å
126E84.7Confident83.6Confident61 Ų6147.1 Ų47.129%0.28524%0.237SC..EExtended strand (participates in β ladder)trans-140.9169.5176.274.3-175.3-151.700110.5A118 I119 A121 K155 F156A118-E126 CarbonylContact C-O 3.57Å; A118-E126 WeakPolarHBondContact CA-O 3.44Å; I119-E126 HydrophobicContact CD1-CG 4.16Å; I119-E126 HydrophobicContact CG1-CG 3.86Å; I119-E126 WeakPolarHBondContact CG1-O 3.38Å; I119-E126 PolarHBondContact N-O 2.81Å; I119-E126 PolarHBondContact O-N 3.09Å; A121-E126 HydrophobicContact CB-CG 3.89Å; A121-E126 WeakPolarHBondContact CB-OE2 3.31Å; E126-K155 WeakPolarHBondContact OE1-CE 3.23Å; E126-K155 IonicContact OE1-NZ 2.83Å; E126-K155 PolarHBondContact OE1-NZ 2.88Å; E126-F156 HydrophobicContact CG-CE2 4.27Å; E126-F156 WeakPolarHBondContact OE1-CE2 3.24Å; E126-F156 WeakPolarHBondContact OE1-CZ 3.43Å
127I86Confident83.5Confident22 Ų2248.8 Ų48.811%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-122116.1-176.6-63.9159.7000108.5I27 W33 L91 R116 A118 I129I27-I127 HydrophobicContact CD1-CD1 3.86Å; I27-I127 HydrophobicContact CD1-CG1 4.45Å; I27-I127 HydrophobicContact CG1-CD1 4.32Å; I27-I127 HydrophobicContact CG2-CD1 4.22Å; I27-I127 HydrophobicContact CG2-CG1 4.21Å; W33-I127 HydrophobicContact CB-CD1 3.7Å; W33-I127 HydrophobicContact CD2-CD1 3.45Å; W33-I127 VanDerWaalsContact CD2-CD1 3.45Å; W33-I127 HydrophobicContact CE3-CD1 3.88Å; W33-I127 HydrophobicContact CG-CD1 3.34Å; W33-I127 HydrophobicContact CG-CG1 4.36Å; L91-I127 HydrophobicContact CD1-CB 3.74Å; L91-I127 HydrophobicContact CD1-CD1 3.9Å; L91-I127 HydrophobicContact CD1-CG1 4.44Å; L91-I127 HydrophobicContact CD1-CG2 3.71Å; L91-I127 HydrophobicContact CD2-CG2 3.86Å; L91-I127 HydrophobicContact CG-CG2 4.46Å; R116-I127 HydrophobicContact CB-CG2 3.5Å; R116-I127 HydrophobicContact CG-CG2 4.17Å; A118-I127 HydrophobicContact CB-CG1 4.11Å; I127-I129 PolarHBondContact O-N 2.91Å
128E84Confident83.3Confident19 Ų1943.3 Ų43.39%0.08923%0.225CC..  trans-86.4108.2-178-169.2168.1-163.500110.7R116 I119 Y130 P131 P132 K155R116-E128 VanDerWaalsContact CD-O 3.31Å; R116-E128 WeakPolarHBondContact CD-O 3.42Å; I119-E128 HydrophobicContact CD1-CB 3.91Å; E128-Y130 VanDerWaalsContact C-N 3.26Å; E128-Y130 PolarHBondContact O-N 3.24Å; E128-P131 HydrophobicContact CB-CB 4.5Å; E128-P131 HydrophobicContact CB-CG 4.32Å; E128-P131 HydrophobicContact CG-CB 4.21Å; E128-P131 HydrophobicContact CG-CG 4.35Å; E128-P131 WeakPolarHBondContact O-CD 3.15Å; E128-P132 WeakPolarHBondContact OE1-CD 3.31Å; E128-K155 WeakPolarHBondContact OE1-CB 3.28Å; E128-K155 WeakPolarHBondContact OE1-CD 3.47Å; E128-K155 PolarHBondContact OE2-N 3.02Å
129I85.3Confident82.5Confident24 Ų2445.2 Ų45.212%0.12323%0.234CC..SBendtrans-61.9-33.1-176.2-55.9-57.8000112.4I35 L79 I89 L91 R116 I127I35-I129 HydrophobicContact CD1-CD1 4.36Å; I35-I129 HydrophobicContact CD1-CG2 3.93Å; I35-I129 HydrophobicContact CG1-CD1 4.33Å; L79-I129 HydrophobicContact CD2-CG2 3.92Å; I89-I129 HydrophobicContact CD1-CD1 3.85Å; I89-I129 HydrophobicContact CD1-CG1 4.11Å; I89-I129 HydrophobicContact CD1-CG2 3.7Å; L91-I129 HydrophobicContact CD1-CD1 3.77Å; L91-I129 HydrophobicContact CD2-CD1 3.91Å; L91-I129 HydrophobicContact CG-CD1 3.97Å; R116-I129 VanDerWaalsContact CZ-O 3.24Å; R116-I129 PolarHBondContact NE-O 2.86Å; R116-I129 PolarHBondContact NH2-O 3.41Å; I127-I129 PolarHBondContact O-N 2.91Å
130Y83.3Confident81.4Confident41 Ų4145.8 Ų45.816%0.16124%0.24CC..SBendtrans-135.286176.9-52.5-94.2000108.5L79 K80 N82 L83 E128 R206L79-Y130 HydrophobicContact CB-CE1 4.37Å; L79-Y130 HydrophobicContact CD2-CD1 4.22Å; L79-Y130 HydrophobicContact CD2-CE1 3.62Å; L79-Y130 HydrophobicContact CG-CE1 4.06Å; K80-Y130 VanDerWaalsContact O-CE1 3.24Å; K80-Y130 WeakPolarHBondContact O-CE1 3.26Å; K80-Y130 VanDerWaalsContact O-CZ 3.27Å; K80-Y130 PolarHBondContact O-OH 2.91Å; N82-Y130 PolarHBondContact N-OH 3.41Å; L83-Y130 WeakPolarHBondContact CB-OH 3.16Å; L83-Y130 WeakPolarHBondContact CG-OH 3.19Å; L83-Y130 PolarHBondContact N-OH 3.5Å; E128-Y130 VanDerWaalsContact C-N 3.26Å; E128-Y130 PolarHBondContact O-N 3.24Å; Y130-R206 VanDerWaalsContact CB-CZ 3.45Å; Y130-R206 PolarHBondContact O-NE 3.05Å; Y130-R206 PolarHBondContact O-NH2 3.02Å
131P84.5Confident80.1Confident40 Ų4044.5 Ų44.526%0.2624%0.241SC..PPolyproline II helixtrans-68.6140.6179.9-9.123.6000110E128 H133 T152 Y153E128-P131 HydrophobicContact CB-CB 4.5Å; E128-P131 HydrophobicContact CB-CG 4.32Å; E128-P131 HydrophobicContact CG-CB 4.21Å; E128-P131 HydrophobicContact CG-CG 4.35Å; E128-P131 WeakPolarHBondContact O-CD 3.15Å; P131-H133 PolarHBondContact O-N 2.84Å; P131-T152 HydrophobicContact CB-CG2 3.63Å; P131-T152 HydrophobicContact CG-CG2 4.18Å; P131-Y153 WeakPolarHBondContact CB-O 3.48Å
132P78.8Confident78.9Confident4 Ų451 Ų513%0.02628%0.275CS..PPolyproline II helixtrans-58.7126.4-174.419.6-32.1000112.1E128 Y134 T152 Y153 K155 I199E128-P132 WeakPolarHBondContact OE1-CD 3.31Å; P132-Y134 HydrophobicContact CB-CE2 3.7Å; P132-Y134 VanDerWaalsContact CB-OH 3.26Å; P132-Y134 WeakPolarHBondContact CB-OH 3.38Å; P132-Y134 HydrophobicContact CG-CE2 4.36Å; P132-T152 WeakPolarHBondContact O-CA 3.36Å; P132-Y153 VanDerWaalsContact CD-O 3.26Å; P132-Y153 WeakPolarHBondContact CD-O 3.38Å; P132-Y153 WeakPolarHBondContact CG-O 3.43Å; P132-Y153 PolarHBondContact O-N 3.03Å; P132-K155 HydrophobicContact CG-CB 4.22Å; P132-I199 HydrophobicContact CB-CG2 4.32Å; P132-I199 HydrophobicContact CG-CG2 3.94Å
133H83.9Confident78.3Confident55 Ų5549.4 Ų49.426%0.25527%0.267SS..EExtended strand (participates in β ladder)trans-101.7138.8172.1-163.781.9000109P131 G151 T152 E207P131-H133 PolarHBondContact O-N 2.84Å; H133-G151 CarbonylContact C-O 3.56Å; H133-G151 VanDerWaalsContact CA-O 3.29Å; H133-G151 WeakPolarHBondContact CA-O 3.29Å; H133-G151 VanDerWaalsContact ND1-C 3.34Å; H133-G151 PolarHBondContact ND1-O 3.1Å; H133-G151 VanDerWaalsContact ND1-O 3.16Å; H133-T152 PolarHBondContact ND1-OG1 3.44Å; H133-E207 HydrophobicContact CB-CG 4.41Å; H133-E207 WeakPolarHBondContact O-CA 3.3Å; H133-E207 PolarHBondContact O-N 3.43Å
134Y89.1Confident77.9Confident1 Ų144.7 Ų44.70%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-138140.4178.2-59.8-63.9000111.4P132 E150 G151 Y153 I199 L204 E205 K208 I210P132-Y134 HydrophobicContact CB-CE2 3.7Å; P132-Y134 VanDerWaalsContact CB-OH 3.26Å; P132-Y134 WeakPolarHBondContact CB-OH 3.38Å; P132-Y134 HydrophobicContact CG-CE2 4.36Å; Y134-E150 WeakPolarHBondContact O-CA 3.36Å; Y134-G151 PolarHBondContact N-O 2.83Å; Y134-G151 PolarHBondContact O-N 3.5Å; Y134-G151 VanDerWaalsContact O-N 3.1Å; Y134-Y153 AromaticContact CD2-CD2 3.5Å; Y134-Y153 HydrophobicContact CD2-CD2 3.5Å; Y134-Y153 VanDerWaalsContact CD2-CD2 3.5Å; Y134-Y153 AromaticContact CD2-CE2 3.94Å; Y134-Y153 HydrophobicContact CD2-CE2 3.94Å; Y134-Y153 HydrophobicContact CD2-CG 4.36Å; Y134-Y153 HydrophobicContact CE2-CD2 4.22Å; Y134-Y153 HydrophobicContact CG-CD2 4.4Å; Y134-I199 HydrophobicContact CE2-CD1 4.17Å; Y134-I199 HydrophobicContact CE2-CG1 4.41Å; Y134-I199 HydrophobicContact CE2-CG2 3.92Å; Y134-I199 WeakPolarHBondContact OH-CG2 3.43Å; Y134-L204 HydrophobicContact CE1-CB 3.82Å; Y134-L204 WeakPolarHBondContact OH-CB 3.27Å; Y134-L204 PolarHBondContact OH-O 3.02Å; Y134-E205 WeakPolarHBondContact CE1-O 3.25Å; Y134-K208 HydrophobicContact CD1-CB 4.19Å; Y134-K208 WeakPolarHBondContact CD1-O 3.45Å; Y134-K208 HydrophobicContact CE1-CB 4.18Å; Y134-I210 HydrophobicContact CD1-CD1 3.88Å; Y134-I210 HydrophobicContact CD1-CG1 4.31Å; Y134-I210 HydrophobicContact CD2-CD1 4.05Å; Y134-I210 HydrophobicContact CE1-CD1 4.47Å; Y134-I210 HydrophobicContact CG-CD1 3.68Å; Y134-I210 HydrophobicContact CG-CG1 4.41Å
135S88.6Confident77.6Confident16 Ų1643.2 Ų43.211%0.11225%0.252CS..EExtended strand (participates in β ladder)trans-101118.8172.2-51.60000109.8E150 I210S135-E150 VanDerWaalsContact CB-OE1 3.3Å; S135-E150 WeakPolarHBondContact CB-OE1 3.26Å; S135-E150 PolarHBondContact OG-OE1 3.13Å; S135-I210 PolarHBondContact O-N 3.36Å
136F92.5Very high77.5Confident1 Ų146.5 Ų46.50%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-94.7119.1-178.7-71.8-96.3000110.3L148 F149 Y153 L162 V166 L180 I210 V212F136-L148 WeakPolarHBondContact O-CB 3.4Å; F136-L148 PolarHBondContact O-N 2.77Å; F136-F149 HydrophobicContact CB-CD1 4.23Å; F136-F149 HydrophobicContact CB-CE1 4.01Å; F136-F149 HydrophobicContact CB-CZ 4.33Å; F136-F149 HydrophobicContact CD2-CD2 4.44Å; F136-F149 HydrophobicContact CD2-CE2 4.01Å; F136-F149 HydrophobicContact CD2-CZ 4.03Å; F136-F149 HydrophobicContact CE2-CE2 4.46Å; F136-F149 HydrophobicContact CG-CE1 4.23Å; F136-F149 HydrophobicContact CG-CE2 4.48Å; F136-F149 HydrophobicContact CG-CZ 4.06Å; F136-F149 PolarHBondContact N-O 3.46Å; F136-Y153 AromaticContact CE2-CE2 3.67Å; F136-Y153 HydrophobicContact CE2-CE2 3.67Å; F136-Y153 AromaticContact CE2-CZ 3.6Å; F136-Y153 WeakPolarHBondContact CE2-OH 3.42Å; F136-Y153 HydrophobicContact CZ-CE2 4.39Å; F136-L162 HydrophobicContact CZ-CD1 4.41Å; F136-L162 HydrophobicContact CZ-CD2 4.16Å; F136-V166 HydrophobicContact CD1-CG2 3.38Å; F136-V166 HydrophobicContact CE1-CG2 3.51Å; F136-V166 HydrophobicContact CG-CG2 4.09Å; F136-V166 HydrophobicContact CZ-CG2 4.34Å; F136-L180 HydrophobicContact CD1-CD2 4.43Å; F136-L180 HydrophobicContact CE1-CD1 4.41Å; F136-L180 HydrophobicContact CE1-CD2 4.29Å; F136-I210 CarbonylContact C-O 3.6Å; F136-I210 VanDerWaalsContact CA-O 3.29Å; F136-I210 WeakPolarHBondContact CA-O 3.46Å; F136-I210 HydrophobicContact CD1-CB 3.95Å; F136-I210 HydrophobicContact CD1-CG2 3.89Å; F136-I210 HydrophobicContact CE1-CB 3.89Å; F136-I210 HydrophobicContact CE1-CD1 3.91Å; F136-I210 HydrophobicContact CE1-CG1 4.49Å; F136-I210 HydrophobicContact CE1-CG2 3.7Å; F136-I210 HydrophobicContact CE2-CD1 4.46Å; F136-I210 HydrophobicContact CZ-CB 4.43Å; F136-I210 HydrophobicContact CZ-CD1 3.75Å; F136-V212 HydrophobicContact CB-CG2 4.28Å; F136-V212 HydrophobicContact CD1-CG2 3.98Å
137Y88.6Confident77.6Confident66 Ų6647.1 Ų47.126%0.25928%0.275SS..EExtended strand (participates in β ladder)trans-112.6128179.3-78-109.4000110.7N139 A145 T146 L147 V209 I210 F211 V212Y137-N139 PolarHBondContact O-N 3.02Å; Y137-A145 HydrophobicContact CD1-CB 4.01Å; Y137-A145 HydrophobicContact CG-CB 4.48Å; Y137-T146 CarbonylContact C-O 3.54Å; Y137-T146 WeakPolarHBondContact CA-O 3.24Å; Y137-L147 HydrophobicContact CD1-CB 4.15Å; Y137-L147 VanDerWaalsContact CD1-N 3.34Å; Y137-L147 HydrophobicContact CD2-CD1 3.84Å; Y137-L147 HydrophobicContact CE1-CB 3.76Å; Y137-L147 HydrophobicContact CE1-CD1 4.47Å; Y137-L147 HydrophobicContact CE2-CB 4.32Å; Y137-L147 HydrophobicContact CE2-CD1 3.48Å; Y137-L147 VanDerWaalsContact CE2-CD1 3.48Å; Y137-L147 HydrophobicContact CE2-CG 4.46Å; Y137-L147 HydrophobicContact CG-CD1 4.5Å; Y137-V209 HydrophobicContact CD2-CG1 3.52Å; Y137-V209 HydrophobicContact CE2-CG1 4Å; Y137-V209 HydrophobicContact CG-CG1 4.16Å; Y137-I210 PolarHBondContact N-O 3.23Å; Y137-F211 CarbonylContact O-C 3.54Å; Y137-F211 VanDerWaalsContact O-CA 3.32Å; Y137-F211 WeakPolarHBondContact O-CA 3.1Å; Y137-V212 PolarHBondContact O-N 3.27Å
138L86.6Confident77.6Confident24 Ų2448 Ų4813%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-67.8127.5167.3-167.868.7000108.2P140 A145 T146 L148 V212 L214 V226L138-P140 VanDerWaalsContact C-CD 3.41Å; L138-P140 WeakPolarHBondContact O-CD 3.43Å; L138-A145 VanDerWaalsContact O-CA 3.31Å; L138-A145 WeakPolarHBondContact O-CA 3.25Å; L138-T146 PolarHBondContact N-O 3.16Å; L138-T146 PolarHBondContact O-N 3.01Å; L138-L148 HydrophobicContact CB-CD1 3.92Å; L138-L148 HydrophobicContact CB-CD2 3.86Å; L138-L148 HydrophobicContact CB-CG 3.83Å; L138-L148 HydrophobicContact CD1-CD1 4.31Å; L138-V212 HydrophobicContact CD1-CB 4.45Å; L138-V212 HydrophobicContact CD1-CG1 4.39Å; L138-L214 HydrophobicContact CD1-CG 4.5Å; L138-V226 HydrophobicContact CD2-CG2 4.17Å
139N72.6Confident77.9Confident43 Ų4348.3 Ų48.323%0.2328%0.281CS..  trans-101.385.4171.9-170.11.7000109.7Y137 F189 F211 V212Y137-N139 PolarHBondContact O-N 3.02Å; N139-F189 VanDerWaalsContact ND2-CZ 3.29Å; N139-F189 WeakPolarHBondContact ND2-CZ 3.5Å; N139-F211 HydrophobicContact CB-CB 4.36Å; N139-F211 HydrophobicContact CB-CD1 4.32Å; N139-V212 PolarHBondContact N-O 3.4Å
140P60.7Low78.1Confident37 Ų3752 Ų5224%0.2430%0.298CS..  trans-66.7132.8169.829.7-35.1000109.4L138 N142 S143L138-P140 VanDerWaalsContact C-CD 3.41Å; L138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-N142 PolarHBondContact O-N 2.86Å; P140-S143 PolarHBondContact O-N 3.46Å; P140-S143 VanDerWaalsContact O-N 3.07Å
141S58Low78.2Confident66 Ų6650.8 Ų50.846%0.46230%0.298SS..THydrogen-bonded Turntrans-49.7-16.3-169.8-33.50000116.9D223S141-D223 WeakPolarHBondContact CB-OD1 3.44Å; S141-D223 PolarHBondContact OG-OD1 2.86Å
142N50.1Low78.3Confident143 Ų14353 Ų5377%0.76531%0.311SS*.THydrogen-bonded Turntrans-145.628.5-176-72.1-66.9000113.3P140P140-N142 PolarHBondContact O-N 2.86Å
143S57Low78.7Confident85 Ų8553.6 Ų53.659%0.59431%0.313SS*.SBendtrans-149162177.7-58.70000113.3P140 A145P140-S143 PolarHBondContact O-N 3.46Å; P140-S143 VanDerWaalsContact O-N 3.07Å; S143-A145 PolarHBondContact O-N 2.86Å
144S62.3Low78.7Confident108 Ų10852.3 Ų52.376%0.75531%0.31SS*.  trans-53.3131.5175.7-56.10000111.2T146S144-T146 PolarHBondContact O-N 3.2Å; S144-T146 PolarHBondContact O-OG1 3.42Å
145A71.1Confident78.4Confident38 Ų3854 Ų5431%0.31432%0.317SS..  trans-55.7130.3-179.600000110.2Y137 L138 S143 F211Y137-A145 HydrophobicContact CD1-CB 4.01Å; Y137-A145 HydrophobicContact CG-CB 4.48Å; L138-A145 VanDerWaalsContact O-CA 3.31Å; L138-A145 WeakPolarHBondContact O-CA 3.25Å; S143-A145 PolarHBondContact O-N 2.86Å; A145-F211 HydrophobicContact CB-CD1 4.21Å; A145-F211 HydrophobicContact CB-CE1 3.89Å
146T79.9Confident78.3Confident82 Ų8254.9 Ų54.950%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-108122.5-175.2-60.10000109.4Y137 L138 S144 L148Y137-T146 CarbonylContact C-O 3.54Å; Y137-T146 WeakPolarHBondContact CA-O 3.24Å; L138-T146 PolarHBondContact N-O 3.16Å; L138-T146 PolarHBondContact O-N 3.01Å; S144-T146 PolarHBondContact O-N 3.2Å; S144-T146 PolarHBondContact O-OG1 3.42Å; T146-L148 PolarHBondContact O-N 2.93Å
147L85.8Confident78Confident74 Ų7457 Ų5739%0.38733%0.329SS..EExtended strand (participates in β ladder)trans-57122.2174.9-179.467.3000109.7Y137 E150Y137-L147 HydrophobicContact CD1-CB 4.15Å; Y137-L147 VanDerWaalsContact CD1-N 3.34Å; Y137-L147 HydrophobicContact CD2-CD1 3.84Å; Y137-L147 HydrophobicContact CE1-CB 3.76Å; Y137-L147 HydrophobicContact CE1-CD1 4.47Å; Y137-L147 HydrophobicContact CE2-CB 4.32Å; Y137-L147 HydrophobicContact CE2-CD1 3.48Å; Y137-L147 VanDerWaalsContact CE2-CD1 3.48Å; Y137-L147 HydrophobicContact CE2-CG 4.46Å; Y137-L147 HydrophobicContact CG-CD1 4.5Å; L147-E150 HydrophobicContact CD1-CG 3.67Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 HydrophobicContact CG-CG 4.36Å
148L86.8Confident78.2Confident40 Ų4055.1 Ų55.121%0.20932%0.324CS..EExtended strand (participates in β ladder)trans-85.9-56.7173.8-67.6172.4000110.1F136 L138 T146 L170 V212F136-L148 WeakPolarHBondContact O-CB 3.4Å; F136-L148 PolarHBondContact O-N 2.77Å; L138-L148 HydrophobicContact CB-CD1 3.92Å; L138-L148 HydrophobicContact CB-CD2 3.86Å; L138-L148 HydrophobicContact CB-CG 3.83Å; L138-L148 HydrophobicContact CD1-CD1 4.31Å; T146-L148 PolarHBondContact O-N 2.93Å; L148-L170 HydrophobicContact CD1-CD1 4.11Å; L148-L170 HydrophobicContact CD1-CD2 3.84Å; L148-L170 HydrophobicContact CD1-CG 4.16Å; L148-L170 HydrophobicContact CD2-CD2 3.55Å; L148-L170 HydrophobicContact CG-CD2 4.32Å; L148-V212 HydrophobicContact CD1-CB 4.07Å; L148-V212 HydrophobicContact CD1-CG1 4.42Å; L148-V212 HydrophobicContact CD1-CG2 3.95Å
149F90.6Very high78.4Confident26 Ų2654 Ų5411%0.11432%0.318CS..EExtended strand (participates in β ladder)trans-165.5164.5178.263.7-76.1000110.7F136 Y153 I165 V166 H169F136-F149 HydrophobicContact CB-CD1 4.23Å; F136-F149 HydrophobicContact CB-CE1 4.01Å; F136-F149 HydrophobicContact CB-CZ 4.33Å; F136-F149 HydrophobicContact CD2-CD2 4.44Å; F136-F149 HydrophobicContact CD2-CE2 4.01Å; F136-F149 HydrophobicContact CD2-CZ 4.03Å; F136-F149 HydrophobicContact CE2-CE2 4.46Å; F136-F149 HydrophobicContact CG-CE1 4.23Å; F136-F149 HydrophobicContact CG-CE2 4.48Å; F136-F149 HydrophobicContact CG-CZ 4.06Å; F136-F149 PolarHBondContact N-O 3.46Å; F149-Y153 VanDerWaalsContact CE2-OH 3.23Å; F149-Y153 WeakPolarHBondContact CE2-OH 3.23Å; F149-I165 HydrophobicContact CE2-CG2 3.92Å; F149-I165 HydrophobicContact CZ-CG2 3.99Å; F149-V166 HydrophobicContact CE1-CG2 4.06Å; F149-V166 HydrophobicContact CZ-CB 4.48Å; F149-V166 HydrophobicContact CZ-CG2 3.76Å; F149-H169 VanDerWaalsContact CB-CE1 3.47Å; F149-H169 WeakPolarHBondContact CB-CE1 3.5Å; F149-H169 HydrophobicContact CD1-CB 3.93Å; F149-H169 AromaticContact CD1-CD2 3.73Å; F149-H169 AromaticContact CD1-CE1 3.87Å; F149-H169 AromaticContact CD1-CG 3.42Å; F149-H169 VanDerWaalsContact CD1-CG 3.42Å; F149-H169 AromaticContact CD1-ND1 3.51Å; F149-H169 AromaticContact CD2-ND1 3.95Å; F149-H169 HydrophobicContact CE1-CB 3.65Å; F149-H169 AromaticContact CE1-CG 3.7Å; F149-H169 AromaticContact CG-CE1 3.68Å; F149-H169 AromaticContact CG-CG 3.94Å; F149-H169 AromaticContact CG-ND1 3.51Å; F149-H169 HydrophobicContact CZ-CB 4.14Å
150E89.3Confident79.4Confident101 Ų10157 Ų5747%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-121.1152.9172.8-51.4-172133.800108.1Y134 S135 L147Y134-E150 WeakPolarHBondContact O-CA 3.36Å; S135-E150 VanDerWaalsContact CB-OE1 3.3Å; S135-E150 WeakPolarHBondContact CB-OE1 3.26Å; S135-E150 PolarHBondContact OG-OE1 3.13Å; L147-E150 HydrophobicContact CD1-CG 3.67Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 HydrophobicContact CG-CG 4.36Å
151G85.3Confident80.9Confident16 Ų1659.5 Ų59.517%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-164.2157.2-176.900000112.9H133 Y134 Y153H133-G151 CarbonylContact C-O 3.56Å; H133-G151 VanDerWaalsContact CA-O 3.29Å; H133-G151 WeakPolarHBondContact CA-O 3.29Å; H133-G151 VanDerWaalsContact ND1-C 3.34Å; H133-G151 PolarHBondContact ND1-O 3.1Å; H133-G151 VanDerWaalsContact ND1-O 3.16Å; Y134-G151 PolarHBondContact N-O 2.83Å; Y134-G151 PolarHBondContact O-N 3.5Å; Y134-G151 VanDerWaalsContact O-N 3.1Å; G151-Y153 WeakPolarHBondContact O-CD2 3.46Å; G151-Y153 WeakPolarHBondContact O-CE2 3.37Å
152T85.9Confident82.5Confident87 Ų8756.4 Ų56.453%0.53431%0.313SS..EExtended strand (participates in β ladder)trans-104.6132.5173.3-57.80000109P131 P132 H133P131-T152 HydrophobicContact CB-CG2 3.63Å; P131-T152 HydrophobicContact CG-CG2 4.18Å; P132-T152 WeakPolarHBondContact O-CA 3.36Å; H133-T152 PolarHBondContact ND1-OG1 3.44Å
153Y88.1Confident84.6Confident16 Ų1650.5 Ų50.56%0.06328%0.281CS..  trans-122.9160.7-172.7-56.4-85.1000110.6P131 P132 Y134 F136 F149 G151 L162 I165 I199P131-Y153 WeakPolarHBondContact CB-O 3.48Å; P132-Y153 VanDerWaalsContact CD-O 3.26Å; P132-Y153 WeakPolarHBondContact CD-O 3.38Å; P132-Y153 WeakPolarHBondContact CG-O 3.43Å; P132-Y153 PolarHBondContact O-N 3.03Å; Y134-Y153 AromaticContact CD2-CD2 3.5Å; Y134-Y153 HydrophobicContact CD2-CD2 3.5Å; Y134-Y153 VanDerWaalsContact CD2-CD2 3.5Å; Y134-Y153 AromaticContact CD2-CE2 3.94Å; Y134-Y153 HydrophobicContact CD2-CE2 3.94Å; Y134-Y153 HydrophobicContact CD2-CG 4.36Å; Y134-Y153 HydrophobicContact CE2-CD2 4.22Å; Y134-Y153 HydrophobicContact CG-CD2 4.4Å; F136-Y153 AromaticContact CE2-CE2 3.67Å; F136-Y153 HydrophobicContact CE2-CE2 3.67Å; F136-Y153 AromaticContact CE2-CZ 3.6Å; F136-Y153 WeakPolarHBondContact CE2-OH 3.42Å; F136-Y153 HydrophobicContact CZ-CE2 4.39Å; F149-Y153 VanDerWaalsContact CE2-OH 3.23Å; F149-Y153 WeakPolarHBondContact CE2-OH 3.23Å; G151-Y153 WeakPolarHBondContact O-CD2 3.46Å; G151-Y153 WeakPolarHBondContact O-CE2 3.37Å; Y153-L162 HydrophobicContact CD1-CD2 3.42Å; Y153-L162 VanDerWaalsContact CD1-CD2 3.42Å; Y153-L162 HydrophobicContact CD2-CD2 4.38Å; Y153-L162 HydrophobicContact CE1-CD2 3.6Å; Y153-L162 HydrophobicContact CG-CD2 3.85Å; Y153-I165 HydrophobicContact CD1-CD1 4.27Å; Y153-I165 HydrophobicContact CE1-CD1 3.96Å; Y153-I165 HydrophobicContact CE1-CG2 4.5Å; Y153-I199 HydrophobicContact CG-CD1 4.45Å
154C84.5Confident86.2Confident28 Ų2849.2 Ų49.219%0.18928%0.275CS..  trans-85.1132168.3166.30000108.4I119 F156 Q157I119-C154 HydrophobicContact CG2-CB 4.16Å; C154-F156 PolarHBondContact O-N 2.73Å; C154-F156 PolarHBondContact SG-N 2.88Å; C154-Q157 HydrophobicContact CB-CG 4.12Å; C154-Q157 WeakPolarHBondContact O-CB 3.49Å; C154-Q157 PolarHBondContact O-N 3.02Å
155K82.3Confident87.6Confident36 Ų3646.6 Ų46.616%0.15725%0.252CS..THydrogen-bonded Turntrans-57.6-19.618067.6173.5-172.81590115.2I119 E126 E128 P132 I199 E200I119-K155 HydrophobicContact CD1-CG 4.42Å; E126-K155 WeakPolarHBondContact OE1-CE 3.23Å; E126-K155 IonicContact OE1-NZ 2.83Å; E126-K155 PolarHBondContact OE1-NZ 2.88Å; E128-K155 WeakPolarHBondContact OE1-CB 3.28Å; E128-K155 WeakPolarHBondContact OE1-CD 3.47Å; E128-K155 PolarHBondContact OE2-N 3.02Å; P132-K155 HydrophobicContact CG-CB 4.22Å; K155-I199 WeakPolarHBondContact O-CB 3.27Å; K155-I199 PolarHBondContact O-N 2.87Å; K155-E200 HydrophobicContact CB-CB 4.2Å; K155-E200 HydrophobicContact CD-CB 4.48Å; K155-E200 HydrophobicContact CD-CG 4.44Å; K155-E200 WeakPolarHBondContact CD-OE1 3.22Å; K155-E200 WeakPolarHBondContact CE-OE1 3.49Å; K155-E200 HydrophobicContact CG-CB 4.49Å; K155-E200 IonicContact NZ-OE1 2.88Å; K155-E200 PolarHBondContact NZ-OE1 3.04Å; K155-E200 IonicContact NZ-OE2 3.76Å; K155-E200 PolarHBondContact O-N 2.62Å
156F85.6Confident88.5Confident35 Ų3544.8 Ų44.815%0.15424%0.237CC..THydrogen-bonded Turntrans-88.23.6174.1-56.5-62.6000114.6I119 Q120 A121 P122 E126 C154 T198 E200I119-F156 HydrophobicContact CD1-CD2 3.8Å; I119-F156 HydrophobicContact CD1-CE2 3.72Å; I119-F156 HydrophobicContact CG1-CD2 4.41Å; I119-F156 HydrophobicContact CG1-CE2 4.3Å; Q120-F156 WeakPolarHBondContact O-CD2 3.35Å; A121-F156 VanDerWaalsContact CA-CE2 3.41Å; A121-F156 HydrophobicContact CB-CD2 4.34Å; A121-F156 HydrophobicContact CB-CE1 4.36Å; A121-F156 HydrophobicContact CB-CE2 3.39Å; A121-F156 HydrophobicContact CB-CZ 3.39Å; P122-F156 HydrophobicContact CG-CE1 4.26Å; E126-F156 HydrophobicContact CG-CE2 4.27Å; E126-F156 WeakPolarHBondContact OE1-CE2 3.24Å; E126-F156 WeakPolarHBondContact OE1-CZ 3.43Å; C154-F156 PolarHBondContact O-N 2.73Å; C154-F156 PolarHBondContact SG-N 2.88Å; F156-T198 VanDerWaalsContact O-CG2 3.3Å; F156-T198 WeakPolarHBondContact O-CG2 3.38Å; F156-E200 WeakPolarHBondContact CE1-OE2 3.16Å
157Q88Confident89Confident45 Ų4542.2 Ų42.221%0.2123%0.225CC..  trans-73.8141.7169.6-72179.4-100.100110.2C154 E161 T198 I199C154-Q157 HydrophobicContact CB-CG 4.12Å; C154-Q157 WeakPolarHBondContact O-CB 3.49Å; C154-Q157 PolarHBondContact O-N 3.02Å; Q157-E161 WeakPolarHBondContact CA-OE2 3.44Å; Q157-E161 HydrophobicContact CB-CB 4.49Å; Q157-T198 CarbonylContact O-C 3.52Å; Q157-T198 VanDerWaalsContact O-CA 3.27Å; Q157-T198 WeakPolarHBondContact O-CA 3.3Å; Q157-I199 HydrophobicContact CB-CD1 3.97Å; Q157-I199 WeakPolarHBondContact O-CG1 3.27Å; Q157-I199 PolarHBondContact O-N 2.84Å
158T91.8Very high89.1Confident27 Ų2746.1 Ų46.117%0.16624%0.241CC..BIsolated β-bridgetrans-78.8155.8179.855.50000112.6R160 E161 L162 D196 A197 T198T158-R160 PolarHBondContact O-N 2.79Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 WeakPolarHBondContact O-CB 3.39Å; T158-E161 PolarHBondContact O-N 3.45Å; T158-E161 VanDerWaalsContact OG1-CG 3.29Å; T158-E161 WeakPolarHBondContact OG1-CG 3.23Å; T158-E161 PolarHBondContact OG1-N 2.99Å; T158-E161 PolarHBondContact OG1-OE2 3.5Å; T158-L162 PolarHBondContact O-N 3.37Å; T158-D196 WeakPolarHBondContact CG2-O 3.47Å; T158-A197 CarbonylContact C-O 3.5Å; T158-A197 VanDerWaalsContact CA-O 3.29Å; T158-A197 WeakPolarHBondContact CA-O 3.4Å; T158-T198 HydrophobicContact CG2-CG2 4.32Å
159I91.6Very high89.1Confident1 Ų149 Ų491%0.00525%0.253CS..Hα-helixtrans-57.8-32.8170.1-59.3-46.8000110.6E161 L162 K163 L180 L192 D194 A197 A202 L204I159-E161 PolarHBondContact O-N 3.44Å; I159-L162 HydrophobicContact CD1-CD1 4.17Å; I159-L162 PolarHBondContact O-N 3.25Å; I159-K163 WeakPolarHBondContact O-CG 3.42Å; I159-K163 PolarHBondContact O-N 2.85Å; I159-L180 HydrophobicContact CG2-CD1 4.44Å; I159-L192 HydrophobicContact CD1-CD1 4.18Å; I159-L192 HydrophobicContact CG1-CB 4.49Å; I159-L192 HydrophobicContact CG2-CB 3.79Å; I159-D194 WeakPolarHBondContact CB-O 3.45Å; I159-D194 WeakPolarHBondContact CG1-O 3.32Å; I159-A197 PolarHBondContact N-O 3.22Å; I159-A202 HydrophobicContact CD1-CB 3.83Å; I159-A202 HydrophobicContact CG1-CB 4.09Å; I159-L204 HydrophobicContact CD1-CD1 3.63Å
160R93.6Very high88.8Confident106 Ų10649.4 Ų49.440%0.426%0.256SS..Hα-helixtrans-58.5-43.7169.7-168.6174.2-63.3127.40.2113.3T158 K163 A164 E195 D196T158-R160 PolarHBondContact O-N 2.79Å; R160-K163 PolarHBondContact O-N 2.73Å; R160-A164 WeakPolarHBondContact O-CB 3.41Å; R160-A164 PolarHBondContact O-N 3.45Å; R160-E195 HydrophobicContact CB-CB 4.16Å; R160-E195 VanDerWaalsContact CB-O 3.28Å; R160-E195 WeakPolarHBondContact CB-O 3.17Å; R160-E195 PolarHBondContact N-O 2.63Å; R160-E195 IonicContact NE-OE2 2.63Å; R160-E195 PolarHBondContact NE-OE2 3.2Å; R160-D196 IonicContact CZ-OD1 2.84Å; R160-D196 VanDerWaalsContact CZ-OD1 3.29Å; R160-D196 IonicContact CZ-OD2 2.9Å; R160-D196 IonicContact NH1-OD1 2.72Å; R160-D196 PolarHBondContact NH1-OD1 3.49Å; R160-D196 IonicContact NH1-OD2 2.6Å; R160-D196 IonicContact NH2-OD1 3.21Å; R160-D196 PolarHBondContact NH2-OD1 2.78Å; R160-D196 VanDerWaalsContact NH2-OD1 3.08Å; R160-D196 IonicContact NH2-OD2 2.62Å; R160-D196 PolarHBondContact NH2-OD2 3.49Å
161E92.1Very high88.5Confident90 Ų9053.4 Ų53.442%0.42127%0.272SS..Hα-helixtrans-67.7-38.1177.2-74.8167.3131.300111.6Q157 T158 I159 A164 I165Q157-E161 WeakPolarHBondContact CA-OE2 3.44Å; Q157-E161 HydrophobicContact CB-CB 4.49Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 WeakPolarHBondContact O-CB 3.39Å; T158-E161 PolarHBondContact O-N 3.45Å; T158-E161 VanDerWaalsContact OG1-CG 3.29Å; T158-E161 WeakPolarHBondContact OG1-CG 3.23Å; T158-E161 PolarHBondContact OG1-N 2.99Å; T158-E161 PolarHBondContact OG1-OE2 3.5Å; I159-E161 PolarHBondContact O-N 3.44Å; E161-A164 PolarHBondContact O-N 2.71Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.43Å; E161-I165 PolarHBondContact O-N 3.2Å
162L91.7Very high88Confident1 Ų154.2 Ų54.21%0.00528%0.277CS..Hα-helixtrans-60.8-48170.5-70-173.9000111.9F136 Y153 T158 I159 A164 I165 V166 L180 I199 L204 I210F136-L162 HydrophobicContact CZ-CD1 4.41Å; F136-L162 HydrophobicContact CZ-CD2 4.16Å; Y153-L162 HydrophobicContact CD1-CD2 3.42Å; Y153-L162 VanDerWaalsContact CD1-CD2 3.42Å; Y153-L162 HydrophobicContact CD2-CD2 4.38Å; Y153-L162 HydrophobicContact CE1-CD2 3.6Å; Y153-L162 HydrophobicContact CG-CD2 3.85Å; T158-L162 PolarHBondContact O-N 3.37Å; I159-L162 HydrophobicContact CD1-CD1 4.17Å; I159-L162 PolarHBondContact O-N 3.25Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.48Å; L162-I165 PolarHBondContact O-N 3.43Å; L162-V166 WeakPolarHBondContact O-CG2 3.22Å; L162-V166 PolarHBondContact O-N 2.82Å; L162-L180 HydrophobicContact CB-CD1 3.88Å; L162-I199 HydrophobicContact CD1-CD1 3.86Å; L162-I199 HydrophobicContact CD1-CG1 3.77Å; L162-I199 HydrophobicContact CD2-CD1 4.02Å; L162-I199 HydrophobicContact CG-CD1 4.04Å; L162-I199 HydrophobicContact CG-CG1 4.32Å; L162-L204 HydrophobicContact CD1-CD1 4.39Å; L162-I210 HydrophobicContact CD1-CD1 4.39Å
163K92.8Very high87.4Confident19 Ų1953.1 Ų53.18%0.08328%0.277CS..Hα-helixtrans-56-41.1174.6-76.9179.4-178.2-171.60111.6I159 R160 V166 A167 V178 L180 E195I159-K163 WeakPolarHBondContact O-CG 3.42Å; I159-K163 PolarHBondContact O-N 2.85Å; R160-K163 PolarHBondContact O-N 2.73Å; K163-V166 PolarHBondContact O-N 2.83Å; K163-A167 WeakPolarHBondContact O-CB 3.2Å; K163-A167 PolarHBondContact O-N 2.92Å; K163-V178 VanDerWaalsContact CD-O 3.28Å; K163-V178 WeakPolarHBondContact CD-O 3.44Å; K163-V178 VanDerWaalsContact CE-O 3.31Å; K163-V178 WeakPolarHBondContact CE-O 3.24Å; K163-V178 HydrophobicContact CG-CG1 4.46Å; K163-L180 HydrophobicContact CG-CD1 3.65Å; K163-L180 HydrophobicContact CG-CG 3.77Å; K163-E195 HydrophobicContact CD-CG 4.18Å; K163-E195 WeakPolarHBondContact CD-OE1 3.29Å; K163-E195 IonicContact NZ-OE1 2.83Å; K163-E195 PolarHBondContact NZ-OE1 2.69Å
164A91.3Very high86.6Confident58 Ų5859.1 Ų59.148%0.47932%0.318SS..Hα-helixtrans-66.4-41.9177.300000113R160 E161 L162 A167 Q168R160-A164 WeakPolarHBondContact O-CB 3.41Å; R160-A164 PolarHBondContact O-N 3.45Å; E161-A164 PolarHBondContact O-N 2.71Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.48Å; A164-A167 PolarHBondContact O-N 3.44Å; A164-Q168 WeakPolarHBondContact O-CB 3.45Å; A164-Q168 PolarHBondContact O-N 3.01Å
165I90.6Very high86Confident53 Ų5359.2 Ų59.227%0.27232%0.323SS..Hα-helixtrans-62.8-45.1175.4-68.4165.3000110.4F149 Y153 E161 L162 Q168 H169F149-I165 HydrophobicContact CE2-CG2 3.92Å; F149-I165 HydrophobicContact CZ-CG2 3.99Å; Y153-I165 HydrophobicContact CD1-CD1 4.27Å; Y153-I165 HydrophobicContact CE1-CD1 3.96Å; Y153-I165 HydrophobicContact CE1-CG2 4.5Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.43Å; E161-I165 PolarHBondContact O-N 3.2Å; L162-I165 PolarHBondContact O-N 3.43Å; I165-Q168 PolarHBondContact O-N 3.07Å; I165-H169 WeakPolarHBondContact O-CB 3.26Å; I165-H169 PolarHBondContact O-N 2.81Å
166V90.8Very high85.9Confident0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-62.1-45.4176.2171.30000111.5F136 F149 L162 K163 Q168 H169 L170 V178 L180 V212F136-V166 HydrophobicContact CD1-CG2 3.38Å; F136-V166 HydrophobicContact CE1-CG2 3.51Å; F136-V166 HydrophobicContact CG-CG2 4.09Å; F136-V166 HydrophobicContact CZ-CG2 4.34Å; F149-V166 HydrophobicContact CE1-CG2 4.06Å; F149-V166 HydrophobicContact CZ-CB 4.48Å; F149-V166 HydrophobicContact CZ-CG2 3.76Å; L162-V166 WeakPolarHBondContact O-CG2 3.22Å; L162-V166 PolarHBondContact O-N 2.82Å; K163-V166 PolarHBondContact O-N 2.83Å; V166-Q168 VanDerWaalsContact C-N 3.33Å; V166-Q168 PolarHBondContact O-N 2.85Å; V166-H169 PolarHBondContact O-N 2.94Å; V166-L170 HydrophobicContact CG1-CD1 3.8Å; V166-L170 WeakPolarHBondContact O-CB 3.42Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 2.96Å; V166-V178 HydrophobicContact CB-CG1 4.22Å; V166-V178 HydrophobicContact CG1-CG1 3.69Å; V166-L180 HydrophobicContact CG1-CD2 4.43Å; V166-L180 HydrophobicContact CG2-CD2 4.14Å; V166-V212 HydrophobicContact CG1-CB 4.29Å; V166-V212 HydrophobicContact CG1-CG1 3.52Å; V166-V212 HydrophobicContact CG1-CG2 3.73Å; V166-V212 HydrophobicContact CG2-CG2 4.39Å
167A89.7Confident85.8Confident28 Ų2860.9 Ų60.923%0.23134%0.336CS..Hα-helixtrans-60.1-41.217600000112.3K163 A164 K171 A172 V178K163-A167 WeakPolarHBondContact O-CB 3.2Å; K163-A167 PolarHBondContact O-N 2.92Å; A164-A167 PolarHBondContact O-N 3.44Å; A167-K171 PolarHBondContact O-N 2.77Å; A167-K171 VanDerWaalsContact O-N 3.12Å; A167-A172 HydrophobicContact CB-CB 4.36Å; A167-A172 PolarHBondContact O-N 2.83Å; A167-V178 HydrophobicContact CB-CG2 3.92Å
168Q88.1Confident85.8Confident156 Ų15659.4 Ų59.473%0.72933%0.33SS*.Hα-helixtrans-65.5-44.1176.1-175.31793.600111.6A164 I165 V166 K171A164-Q168 WeakPolarHBondContact O-CB 3.45Å; A164-Q168 PolarHBondContact O-N 3.01Å; I165-Q168 PolarHBondContact O-N 3.07Å; V166-Q168 VanDerWaalsContact C-N 3.33Å; V166-Q168 PolarHBondContact O-N 2.85Å; Q168-K171 PolarHBondContact O-N 3.45Å
169H86.5Confident85.7Confident99 Ų9960 Ų6046%0.45833%0.331SS..Hα-helixtrans-63.5-44.3179.1-160.2107.3000111.6F149 I165 V166 K171F149-H169 VanDerWaalsContact CB-CE1 3.47Å; F149-H169 WeakPolarHBondContact CB-CE1 3.5Å; F149-H169 HydrophobicContact CD1-CB 3.93Å; F149-H169 AromaticContact CD1-CD2 3.73Å; F149-H169 AromaticContact CD1-CE1 3.87Å; F149-H169 AromaticContact CD1-CG 3.42Å; F149-H169 VanDerWaalsContact CD1-CG 3.42Å; F149-H169 AromaticContact CD1-ND1 3.51Å; F149-H169 AromaticContact CD2-ND1 3.95Å; F149-H169 HydrophobicContact CE1-CB 3.65Å; F149-H169 AromaticContact CE1-CG 3.7Å; F149-H169 AromaticContact CG-CE1 3.68Å; F149-H169 AromaticContact CG-CG 3.94Å; F149-H169 AromaticContact CG-ND1 3.51Å; F149-H169 HydrophobicContact CZ-CB 4.14Å; I165-H169 WeakPolarHBondContact O-CB 3.26Å; I165-H169 PolarHBondContact O-N 2.81Å; V166-H169 PolarHBondContact O-N 2.94Å; H169-K171 PolarHBondContact O-N 2.93Å
170L84.5Confident85.7Confident35 Ų3560 Ų6018%0.18333%0.331CS..Hα-helixtrans-71.9-10.9177.1-73.6171000114.1L148 V166 A172 V212 L214L148-L170 HydrophobicContact CD1-CD1 4.11Å; L148-L170 HydrophobicContact CD1-CD2 3.84Å; L148-L170 HydrophobicContact CD1-CG 4.16Å; L148-L170 HydrophobicContact CD2-CD2 3.55Å; L148-L170 HydrophobicContact CG-CD2 4.32Å; V166-L170 HydrophobicContact CG1-CD1 3.8Å; V166-L170 WeakPolarHBondContact O-CB 3.42Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 2.96Å; L170-A172 PolarHBondContact O-N 2.85Å; L170-V212 HydrophobicContact CD1-CG1 3.95Å; L170-L214 HydrophobicContact CD1-CD1 4.24Å; L170-L214 HydrophobicContact CD1-CD2 3.9Å; L170-L214 HydrophobicContact CD1-CG 4.42Å
171K84Confident85.4Confident186 Ų18655.6 Ų55.681%0.80932%0.317SS*.THydrogen-bonded Turntrans5241-170.1-55.1175.5-174.8172.20111.4A167 Q168 H169A167-K171 PolarHBondContact O-N 2.77Å; A167-K171 VanDerWaalsContact O-N 3.12Å; Q168-K171 PolarHBondContact O-N 3.45Å; H169-K171 PolarHBondContact O-N 2.93Å
172A74.5Confident85.1Confident33 Ų3352.2 Ų52.227%0.27330%0.301SS..PPolyproline II helixtrans-57.5138.3-174.600000111.2A167 L170 V176A167-A172 HydrophobicContact CB-CB 4.36Å; A167-A172 PolarHBondContact O-N 2.83Å; L170-A172 PolarHBondContact O-N 2.85Å; A172-V176 HydrophobicContact CB-CB 4.39Å
173A73.6Confident84.4Confident63 Ų6354.6 Ų54.652%0.52131%0.312SS..PPolyproline II helixtrans-65.5146.5178.800000110.7G175 V176A173-G175 PolarHBondContact O-N 3.49Å; A173-G175 VanDerWaalsContact O-N 3.08Å; A173-V176 HydrophobicContact CB-CG2 4.2Å; A173-V176 PolarHBondContact O-N 2.84Å
174P71.2Confident83.3Confident143 Ų14355.3 Ų55.393%0.92932%0.317SS*.THydrogen-bonded Turntrans-55.2117.8178.2-25.634.3000111.9
175G71.5Confident81.8Confident29 Ų2958.3 Ų58.330%0.29932%0.321SS..THydrogen-bonded Turntrans97.99-178.600000116A173 R217A173-G175 PolarHBondContact O-N 3.49Å; A173-G175 VanDerWaalsContact O-N 3.08Å; G175-R217 VanDerWaalsContact O-CB 3.29Å; G175-R217 WeakPolarHBondContact O-CB 3.45Å; G175-R217 WeakPolarHBondContact O-CG 3.39Å; G175-R217 PolarHBondContact O-N 3.45Å
176V79.7Confident80.5Confident31 Ų3161 Ų6119%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-80.6126.7160.1177.10000108.6A172 A173 L214 I224A172-V176 HydrophobicContact CB-CB 4.39Å; A173-V176 HydrophobicContact CB-CG2 4.2Å; A173-V176 PolarHBondContact O-N 2.84Å; V176-L214 HydrophobicContact CG1-CB 3.92Å; V176-L214 HydrophobicContact CG1-CD2 3.96Å; V176-L214 HydrophobicContact CG1-CG 4.37Å; V176-I224 HydrophobicContact CG1-CD1 4.28Å; V176-I224 HydrophobicContact CG2-CD1 4.35Å
177N83.7Confident79.3Confident76 Ų7667 Ų6741%0.40637%0.365SS..EExtended strand (participates in β ladder)trans-81.2140.7171.8-69.5-12.7000109.7L214 E215N177-L214 WeakPolarHBondContact O-CA 3.38Å; N177-E215 HydrophobicContact CB-CB 4.42Å; N177-E215 PolarHBondContact N-O 2.9Å; N177-E215 PolarHBondContact O-N 3.35Å
178V88.8Confident78.4Confident13 Ų1370 Ų708%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-109.3116.5175.8-179.20000108.4K163 V166 A167 L180 V212 L214K163-V178 VanDerWaalsContact CD-O 3.28Å; K163-V178 WeakPolarHBondContact CD-O 3.44Å; K163-V178 VanDerWaalsContact CE-O 3.31Å; K163-V178 WeakPolarHBondContact CE-O 3.24Å; K163-V178 HydrophobicContact CG-CG1 4.46Å; V166-V178 HydrophobicContact CB-CG1 4.22Å; V166-V178 HydrophobicContact CG1-CG1 3.69Å; A167-V178 HydrophobicContact CB-CG2 3.92Å; V178-L180 HydrophobicContact CG1-CD2 3.97Å; V178-V212 HydrophobicContact CG1-CG1 3.98Å; V178-L214 HydrophobicContact CG2-CD2 3.88Å
179H90.6Very high77.9Confident40 Ų4067.6 Ų67.619%0.18536%0.361CS..EExtended strand (participates in β ladder)trans-100.9132174.7-61.8-94.1000108E191 V212 Q213 E215H179-E191 IonicContact CE1-OE1 2.81Å; H179-E191 IonicContact CG-OE1 3.34Å; H179-E191 IonicContact ND1-OE1 2.72Å; H179-E191 PolarHBondContact ND1-OE1 3.04Å; H179-E191 IonicContact ND1-OE2 2.69Å; H179-V212 WeakPolarHBondContact O-CA 3.11Å; H179-Q213 HydrophobicContact CB-CB 4.31Å; H179-Q213 PolarHBondContact N-O 3.38Å; H179-Q213 PolarHBondContact O-N 2.93Å; H179-E215 IonicContact NE2-OE2 2.78Å
180L90.6Very high77.6Confident0 Ų067.3 Ų67.30%036%0.36CS..EExtended strand (participates in β ladder)trans-114.6126.1177.5-59.7-177.6000107.7F136 I159 L162 K163 V166 V178 E191 L192 I210 F211 V212F136-L180 HydrophobicContact CD1-CD2 4.43Å; F136-L180 HydrophobicContact CE1-CD1 4.41Å; F136-L180 HydrophobicContact CE1-CD2 4.29Å; I159-L180 HydrophobicContact CG2-CD1 4.44Å; L162-L180 HydrophobicContact CB-CD1 3.88Å; K163-L180 HydrophobicContact CG-CD1 3.65Å; K163-L180 HydrophobicContact CG-CG 3.77Å; V166-L180 HydrophobicContact CG1-CD2 4.43Å; V166-L180 HydrophobicContact CG2-CD2 4.14Å; V178-L180 HydrophobicContact CG1-CD2 3.97Å; L180-E191 WeakPolarHBondContact O-CG 3.46Å; L180-L192 HydrophobicContact CB-CB 4.41Å; L180-L192 HydrophobicContact CB-CD1 3.94Å; L180-L192 HydrophobicContact CB-CG 4.47Å; L180-L192 PolarHBondContact O-N 2.87Å; L180-I210 HydrophobicContact CB-CG2 3.92Å; L180-I210 HydrophobicContact CD2-CG2 4.1Å; L180-I210 HydrophobicContact CG-CG2 4.39Å; L180-F211 CarbonylContact C-O 3.57Å; L180-F211 WeakPolarHBondContact CA-O 3.48Å; L180-V212 HydrophobicContact CD2-CG2 3.89Å
181S88.1Confident77.7Confident15 Ų1569.3 Ų69.311%0.10537%0.368CS..EExtended strand (participates in β ladder)trans-130.9155.7176.855.20000111.9E190 F211S181-E190 CarbonylContact C-O 3.57Å; S181-E190 WeakPolarHBondContact CA-O 3.29Å; S181-E190 WeakPolarHBondContact CB-O 3.06Å; S181-F211 PolarHBondContact N-O 3.06Å; S181-F211 PolarHBondContact O-N 3.46Å
182I85.4Confident77.8Confident19 Ų1961.2 Ų61.210%0.09733%0.334CS..EExtended strand (participates in β ladder)trans-122.5158.9176.256173.2000109.6F189 E190 L192 L204 K208 I210I182-F189 WeakPolarHBondContact O-CA 3.23Å; I182-E190 HydrophobicContact CG1-CB 4.31Å; I182-E190 PolarHBondContact N-O 3.08Å; I182-E190 PolarHBondContact O-N 2.87Å; I182-L192 HydrophobicContact CD1-CD2 4.26Å; I182-L192 HydrophobicContact CG1-CD2 4.4Å; I182-L204 HydrophobicContact CD1-CD2 4.14Å; I182-L204 HydrophobicContact CG2-CD2 3.66Å; I182-K208 HydrophobicContact CB-CG 4.42Å; I182-K208 HydrophobicContact CG2-CG 4.13Å; I182-I210 HydrophobicContact CG2-CG1 4.07Å
183H77.1Confident78.1Confident50 Ų5067.3 Ų67.323%0.23136%0.357CS..EExtended strand (participates in β ladder)trans-80125.5165.1-80.2-53.7000110.3N187 E188 F189 K208 F211H183-N187 PolarHBondContact CE1-O 2.88Å; H183-N187 VanDerWaalsContact CE1-O 3.27Å; H183-N187 PolarHBondContact ND1-O 3.44Å; H183-E188 WeakPolarHBondContact CA-O 3.37Å; H183-E188 PolarHBondContact ND1-O 3.1Å; H183-F189 AromaticContact CE1-CD1 3.93Å; H183-F189 AromaticContact CE1-CD2 3.96Å; H183-F189 AromaticContact CE1-CE1 3.53Å; H183-F189 AromaticContact CE1-CE2 3.58Å; H183-F189 AromaticContact CE1-CZ 3.34Å; H183-F189 WeakPolarHBondContact CE1-CZ 3.14Å; H183-F189 AromaticContact NE2-CE1 3.7Å; H183-F189 AromaticContact NE2-CZ 3.59Å; H183-K208 VanDerWaalsContact O-CE 3.26Å; H183-K208 WeakPolarHBondContact O-CE 3.46Å; H183-K208 PolarHBondContact O-NZ 3.33Å; H183-F211 AromaticContact CD2-CE2 3.33Å; H183-F211 WeakPolarHBondContact CD2-CE2 3.31Å; H183-F211 AromaticContact CD2-CZ 3.58Å; H183-F211 AromaticContact NE2-CE2 3.75Å; H183-F211 AromaticContact NE2-CZ 3.69Å
184N70.2Confident78.7Confident34 Ų3469.1 Ų69.118%0.18236%0.358CS..  trans-74.8178.3168.872.57.4000111.1Q186 N187 E188N184-Q186 PolarHBondContact O-N 3.5Å; N184-Q186 WeakPolarHBondContact OD1-CA 3.32Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.46Å; N184-Q186 PolarHBondContact OD1-N 2.89Å; N184-N187 PolarHBondContact O-N 3.11Å; N184-N187 PolarHBondContact OD1-N 3.07Å; N184-E188 PolarHBondContact N-O 2.9Å; N184-E188 PolarHBondContact OD1-N 3.42Å; N184-E188 PolarHBondContact OD1-O 2.73Å
185E59.8Low79.5Confident122 Ų12265.6 Ų65.657%0.5733%0.329SS*.THydrogen-bonded Turntrans-57-16178.1-69.1172.9-148.500113.9N263 S828E185-N263 PolarHBondContact OE1-ND2 3Å; E185-S828 PolarHBondContact OE2-OG 3.2Å
186Q61.5Low80.3Confident109 Ų10969 Ų6951%0.50934%0.34SS..THydrogen-bonded Turntrans-101.35.7-178.7-61165.2-48.100112.7N184 E188 Y327N184-Q186 PolarHBondContact O-N 3.5Å; N184-Q186 WeakPolarHBondContact OD1-CA 3.32Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.46Å; N184-Q186 PolarHBondContact OD1-N 2.89Å; Q186-E188 HydrophobicContact CB-CG 4.26Å; Q186-E188 PolarHBondContact O-N 3.3Å; Q186-Y327 PolarHBondContact NE2-OH 3.01Å
187N65.7Low80.4Confident126 Ų12668 Ų6867%0.67434%0.335SS*.SBendtrans58.620.7-170.3-79.6-25.5000114.6H183 N184H183-N187 PolarHBondContact CE1-O 2.88Å; H183-N187 VanDerWaalsContact CE1-O 3.27Å; H183-N187 PolarHBondContact ND1-O 3.44Å; N184-N187 PolarHBondContact O-N 3.11Å; N184-N187 PolarHBondContact OD1-N 3.07Å
188E70.5Confident80.5Confident92 Ų9265.3 Ų65.343%0.4332%0.321SS..  trans-83.8153.5168.2-56.7-176157.300109.9H183 N184 Q186H183-E188 WeakPolarHBondContact CA-O 3.37Å; H183-E188 PolarHBondContact ND1-O 3.1Å; N184-E188 PolarHBondContact N-O 2.9Å; N184-E188 PolarHBondContact OD1-N 3.42Å; N184-E188 PolarHBondContact OD1-O 2.73Å; Q186-E188 HydrophobicContact CB-CG 4.26Å; Q186-E188 PolarHBondContact O-N 3.3Å
189F78Confident80.2Confident104 Ų10464.9 Ų64.946%0.45632%0.319SS..EExtended strand (participates in β ladder)trans-82.6115.3176.5-71.6-81.9000110.3N139 I182 H183 F211N139-F189 VanDerWaalsContact ND2-CZ 3.29Å; N139-F189 WeakPolarHBondContact ND2-CZ 3.5Å; I182-F189 WeakPolarHBondContact O-CA 3.23Å; H183-F189 AromaticContact CE1-CD1 3.93Å; H183-F189 AromaticContact CE1-CD2 3.96Å; H183-F189 AromaticContact CE1-CE1 3.53Å; H183-F189 AromaticContact CE1-CE2 3.58Å; H183-F189 AromaticContact CE1-CZ 3.34Å; H183-F189 WeakPolarHBondContact CE1-CZ 3.14Å; H183-F189 AromaticContact NE2-CE1 3.7Å; H183-F189 AromaticContact NE2-CZ 3.59Å; F189-F211 HydrophobicContact CD1-CB 4.43Å; F189-F211 HydrophobicContact CD1-CD2 4.19Å; F189-F211 HydrophobicContact CD1-CG 4.34Å; F189-F211 HydrophobicContact CE1-CB 4.03Å; F189-F211 HydrophobicContact CE1-CD1 4.01Å; F189-F211 AromaticContact CE1-CD2 3.67Å; F189-F211 HydrophobicContact CE1-CD2 3.67Å; F189-F211 HydrophobicContact CE1-CE1 4.39Å; F189-F211 HydrophobicContact CE1-CE2 4.09Å; F189-F211 AromaticContact CE1-CG 3.62Å; F189-F211 HydrophobicContact CE1-CG 3.62Å; F189-F211 HydrophobicContact CE1-CZ 4.42Å
190E81Confident79.5Confident93 Ų9365.6 Ų65.644%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-99.6123.7170.7-176.8170.5179.300108.8S181 I182S181-E190 CarbonylContact C-O 3.57Å; S181-E190 WeakPolarHBondContact CA-O 3.29Å; S181-E190 WeakPolarHBondContact CB-O 3.06Å; I182-E190 HydrophobicContact CG1-CB 4.31Å; I182-E190 PolarHBondContact N-O 3.08Å; I182-E190 PolarHBondContact O-N 2.87Å
191E86.7Confident78.8Confident77 Ų7770 Ų7036%0.3634%0.343SS..EExtended strand (participates in β ladder)trans-81.8139.4178.3-168.3174.5156.200111.2H179 L180 E193H179-E191 IonicContact CE1-OE1 2.81Å; H179-E191 IonicContact CG-OE1 3.34Å; H179-E191 IonicContact ND1-OE1 2.72Å; H179-E191 PolarHBondContact ND1-OE1 3.04Å; H179-E191 IonicContact ND1-OE2 2.69Å; L180-E191 WeakPolarHBondContact O-CG 3.46Å; E191-E193 HydrophobicContact CB-CG 4.25Å; E191-E193 PolarHBondContact O-N 2.86Å
192L86Confident78.3Confident16 Ų1670.7 Ų70.78%0.08435%0.35CS..  trans-78.676.1171-55.8174.9000108.9I159 L180 I182 L204I159-L192 HydrophobicContact CD1-CD1 4.18Å; I159-L192 HydrophobicContact CG1-CB 4.49Å; I159-L192 HydrophobicContact CG2-CB 3.79Å; L180-L192 HydrophobicContact CB-CB 4.41Å; L180-L192 HydrophobicContact CB-CD1 3.94Å; L180-L192 HydrophobicContact CB-CG 4.47Å; L180-L192 PolarHBondContact O-N 2.87Å; I182-L192 HydrophobicContact CD1-CD2 4.26Å; I182-L192 HydrophobicContact CG1-CD2 4.4Å; L192-L204 HydrophobicContact CD1-CD1 4.04Å; L192-L204 HydrophobicContact CD1-CD2 4.05Å; L192-L204 HydrophobicContact CD2-CD2 4.09Å; L192-L204 HydrophobicContact CD2-CG 4.47Å
193E81.5Confident77.4Confident161 Ų16173.1 Ų73.175%0.75236%0.363SS*.  trans-67.8-40.5-174.7-65.9-174.8176.500113.1E191 E195E191-E193 HydrophobicContact CB-CG 4.25Å; E191-E193 PolarHBondContact O-N 2.86Å; E193-E195 PolarHBondContact O-N 3.33Å; E193-E195 VanDerWaalsContact O-N 3.12Å
194D85.4Confident77.4Confident101 Ų10171.3 Ų71.354%0.5436%0.355SS..  trans-77.499.3-179.4-167.7-18.8000110.7I159 D196 A197I159-D194 WeakPolarHBondContact CB-O 3.45Å; I159-D194 WeakPolarHBondContact CG1-O 3.32Å; D194-D196 VanDerWaalsContact C-N 3.31Å; D194-D196 PolarHBondContact OD1-N 2.94Å; D194-A197 HydrophobicContact CB-CB 3.99Å; D194-A197 PolarHBondContact OD1-N 2.99Å; D194-A197 VanDerWaalsContact OD1-N 3.07Å
195E88Confident77.4Confident69 Ų6975 Ų7532%0.32237%0.371SS..SBendtrans-71.3-22.6177.9-69.4-159168.600114.3R160 K163 E193R160-E195 HydrophobicContact CB-CB 4.16Å; R160-E195 VanDerWaalsContact CB-O 3.28Å; R160-E195 WeakPolarHBondContact CB-O 3.17Å; R160-E195 PolarHBondContact N-O 2.63Å; R160-E195 IonicContact NE-OE2 2.63Å; R160-E195 PolarHBondContact NE-OE2 3.2Å; K163-E195 HydrophobicContact CD-CG 4.18Å; K163-E195 WeakPolarHBondContact CD-OE1 3.29Å; K163-E195 IonicContact NZ-OE1 2.83Å; K163-E195 PolarHBondContact NZ-OE1 2.69Å; E193-E195 PolarHBondContact O-N 3.33Å; E193-E195 VanDerWaalsContact O-N 3.12Å
196D88Confident77.8Confident101 Ų10175.6 Ų75.654%0.5437%0.368SS..SBendtrans-88.2-20.9-177.9-77.4-66.2000112.2T158 R160 D194 T198T158-D196 WeakPolarHBondContact CG2-O 3.47Å; R160-D196 IonicContact CZ-OD1 2.84Å; R160-D196 VanDerWaalsContact CZ-OD1 3.29Å; R160-D196 IonicContact CZ-OD2 2.9Å; R160-D196 IonicContact NH1-OD1 2.72Å; R160-D196 PolarHBondContact NH1-OD1 3.49Å; R160-D196 IonicContact NH1-OD2 2.6Å; R160-D196 IonicContact NH2-OD1 3.21Å; R160-D196 PolarHBondContact NH2-OD1 2.78Å; R160-D196 VanDerWaalsContact NH2-OD1 3.08Å; R160-D196 IonicContact NH2-OD2 2.62Å; R160-D196 PolarHBondContact NH2-OD2 3.49Å; D194-D196 VanDerWaalsContact C-N 3.31Å; D194-D196 PolarHBondContact OD1-N 2.94Å; D196-T198 PolarHBondContact O-N 3.43Å
197A82.1Confident78.6Confident10 Ų1076.5 Ų76.58%0.08337%0.372CS..SBendtrans-57.6133.4170.300000111.7T158 I159 D194 E201 A202T158-A197 CarbonylContact C-O 3.5Å; T158-A197 VanDerWaalsContact CA-O 3.29Å; T158-A197 WeakPolarHBondContact CA-O 3.4Å; I159-A197 PolarHBondContact N-O 3.22Å; D194-A197 HydrophobicContact CB-CB 3.99Å; D194-A197 PolarHBondContact OD1-N 2.99Å; D194-A197 VanDerWaalsContact OD1-N 3.07Å; A197-E201 HydrophobicContact CB-CB 4.13Å; A197-A202 HydrophobicContact CB-CB 4.4Å
198T85.4Confident79.3Confident19 Ų1972.9 Ų72.912%0.11735%0.35CS..BIsolated β-bridgetrans-68.8162.8164.559.20000111.7F156 Q157 T158 D196 E200 E201 A202F156-T198 VanDerWaalsContact O-CG2 3.3Å; F156-T198 WeakPolarHBondContact O-CG2 3.38Å; Q157-T198 CarbonylContact O-C 3.52Å; Q157-T198 VanDerWaalsContact O-CA 3.27Å; Q157-T198 WeakPolarHBondContact O-CA 3.3Å; T158-T198 HydrophobicContact CG2-CG2 4.32Å; D196-T198 PolarHBondContact O-N 3.43Å; T198-E200 PolarHBondContact O-N 3.03Å; T198-E201 WeakPolarHBondContact CB-OE2 3.24Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.49Å; T198-E201 PolarHBondContact N-OE2 3.39Å; T198-E201 CarbonylContact O-C 3.53Å; T198-E201 PolarHBondContact O-N 2.88Å; T198-E201 WeakPolarHBondContact OG1-CB 3.23Å; T198-E201 VanDerWaalsContact OG1-CG 3.24Å; T198-E201 WeakPolarHBondContact OG1-CG 3.42Å; T198-E201 PolarHBondContact OG1-N 3.18Å; T198-E201 PolarHBondContact OG1-OE2 3.3Å; T198-A202 WeakPolarHBondContact O-CB 3.31Å; T198-A202 PolarHBondContact O-N 3.03Å
199I83.1Confident80Confident4 Ų471.1 Ų71.12%0.02135%0.346CS..THydrogen-bonded Turntrans-55.1-38.6174.5-75.8161.4000111.6P132 Y134 Y153 K155 Q157 L162 N203 L204P132-I199 HydrophobicContact CB-CG2 4.32Å; P132-I199 HydrophobicContact CG-CG2 3.94Å; Y134-I199 HydrophobicContact CE2-CD1 4.17Å; Y134-I199 HydrophobicContact CE2-CG1 4.41Å; Y134-I199 HydrophobicContact CE2-CG2 3.92Å; Y134-I199 WeakPolarHBondContact OH-CG2 3.43Å; Y153-I199 HydrophobicContact CG-CD1 4.45Å; K155-I199 WeakPolarHBondContact O-CB 3.27Å; K155-I199 PolarHBondContact O-N 2.87Å; Q157-I199 HydrophobicContact CB-CD1 3.97Å; Q157-I199 WeakPolarHBondContact O-CG1 3.27Å; Q157-I199 PolarHBondContact O-N 2.84Å; L162-I199 HydrophobicContact CD1-CD1 3.86Å; L162-I199 HydrophobicContact CD1-CG1 3.77Å; L162-I199 HydrophobicContact CD2-CD1 4.02Å; L162-I199 HydrophobicContact CG-CD1 4.04Å; L162-I199 HydrophobicContact CG-CG1 4.32Å; I199-N203 PolarHBondContact O-N 3.34Å; I199-L204 HydrophobicContact CG1-CD1 4.33Å; I199-L204 HydrophobicContact CG2-CB 4.32Å; I199-L204 PolarHBondContact O-N 2.84Å
200E76.2Confident80.5Confident56 Ų5666.1 Ų66.126%0.26232%0.324SS..THydrogen-bonded Turntrans-64.5-44.9172.5-170.1168-132.600111.6K155 F156 T198 N203K155-E200 HydrophobicContact CB-CB 4.2Å; K155-E200 HydrophobicContact CD-CB 4.48Å; K155-E200 HydrophobicContact CD-CG 4.44Å; K155-E200 WeakPolarHBondContact CD-OE1 3.22Å; K155-E200 WeakPolarHBondContact CE-OE1 3.49Å; K155-E200 HydrophobicContact CG-CB 4.49Å; K155-E200 IonicContact NZ-OE1 2.88Å; K155-E200 PolarHBondContact NZ-OE1 3.04Å; K155-E200 IonicContact NZ-OE2 3.76Å; K155-E200 PolarHBondContact O-N 2.62Å; F156-E200 WeakPolarHBondContact CE1-OE2 3.16Å; T198-E200 PolarHBondContact O-N 3.03Å; E200-N203 PolarHBondContact O-N 3.13Å
201E76Confident80.9Confident92 Ų9262.7 Ų62.743%0.4331%0.308SS..THydrogen-bonded Turntrans-70.6-30.6179.2-71161.4145.400113.6A197 T198 N203 Y347A197-E201 HydrophobicContact CB-CB 4.13Å; T198-E201 WeakPolarHBondContact CB-OE2 3.24Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.49Å; T198-E201 PolarHBondContact N-OE2 3.39Å; T198-E201 CarbonylContact O-C 3.53Å; T198-E201 PolarHBondContact O-N 2.88Å; T198-E201 WeakPolarHBondContact OG1-CB 3.23Å; T198-E201 VanDerWaalsContact OG1-CG 3.24Å; T198-E201 WeakPolarHBondContact OG1-CG 3.42Å; T198-E201 PolarHBondContact OG1-N 3.18Å; T198-E201 PolarHBondContact OG1-OE2 3.3Å; E201-N203 VanDerWaalsContact C-N 3.26Å; E201-N203 PolarHBondContact O-N 3.31Å; E201-Y347 HydrophobicContact CB-CE2 4.01Å; E201-Y347 HydrophobicContact CG-CD2 4.32Å; E201-Y347 HydrophobicContact CG-CE2 3.78Å; E201-Y347 PolarHBondContact O-OH 3.42Å
202A76.2Confident81Confident30 Ų3059 Ų5925%0.24829%0.29CS..THydrogen-bonded Turntrans-77.7-6.5174.700000113.5I159 A197 T198 L204I159-A202 HydrophobicContact CD1-CB 3.83Å; I159-A202 HydrophobicContact CG1-CB 4.09Å; A197-A202 HydrophobicContact CB-CB 4.4Å; T198-A202 WeakPolarHBondContact O-CB 3.31Å; T198-A202 PolarHBondContact O-N 3.03Å; A202-L204 VanDerWaalsContact C-N 3.33Å; A202-L204 HydrophobicContact CB-CD1 4.25Å; A202-L204 HydrophobicContact CB-CG 4.32Å; A202-L204 PolarHBondContact O-N 3.43Å
203N66.9Low81Confident69 Ų6960.9 Ų60.937%0.36930%0.299SS..THydrogen-bonded Turntrans53.642.8-179.3-170.543.7000114.1I199 E200 E201 E205 G266I199-N203 PolarHBondContact O-N 3.34Å; E200-N203 PolarHBondContact O-N 3.13Å; E201-N203 VanDerWaalsContact C-N 3.26Å; E201-N203 PolarHBondContact O-N 3.31Å; N203-E205 PolarHBondContact O-N 2.84Å; N203-G266 PolarHBondContact ND2-N 2.64Å; N203-G266 WeakPolarHBondContact OD1-CA 3.33Å; N203-G266 PolarHBondContact OD1-N 2.72Å
204L76.6Confident81.1Confident12 Ų1254.6 Ų54.66%0.06327%0.27CS..  trans-78.6103.1176.7-77.5162.6000110.8Y134 I159 L162 I182 L192 I199 A202 I210Y134-L204 HydrophobicContact CE1-CB 3.82Å; Y134-L204 WeakPolarHBondContact OH-CB 3.27Å; Y134-L204 PolarHBondContact OH-O 3.02Å; I159-L204 HydrophobicContact CD1-CD1 3.63Å; L162-L204 HydrophobicContact CD1-CD1 4.39Å; I182-L204 HydrophobicContact CD1-CD2 4.14Å; I182-L204 HydrophobicContact CG2-CD2 3.66Å; L192-L204 HydrophobicContact CD1-CD1 4.04Å; L192-L204 HydrophobicContact CD1-CD2 4.05Å; L192-L204 HydrophobicContact CD2-CD2 4.09Å; L192-L204 HydrophobicContact CD2-CG 4.47Å; I199-L204 HydrophobicContact CG1-CD1 4.33Å; I199-L204 HydrophobicContact CG2-CB 4.32Å; I199-L204 PolarHBondContact O-N 2.84Å; A202-L204 VanDerWaalsContact C-N 3.33Å; A202-L204 HydrophobicContact CB-CD1 4.25Å; A202-L204 HydrophobicContact CB-CG 4.32Å; A202-L204 PolarHBondContact O-N 3.43Å; L204-I210 HydrophobicContact CD1-CD1 4.43Å; L204-I210 HydrophobicContact CD2-CD1 4.33Å
205E70.3Confident80.6Confident112 Ų11252.6 Ų52.652%0.52326%0.257SS..  trans-46.9142.9174.4-63.8173.415500112.6Y134 N203 E207 K208Y134-E205 WeakPolarHBondContact CE1-O 3.25Å; N203-E205 PolarHBondContact O-N 2.84Å; E205-E207 PolarHBondContact O-N 3.4Å; E205-K208 HydrophobicContact CB-CB 4.44Å; E205-K208 HydrophobicContact CB-CD 4.4Å; E205-K208 VanDerWaalsContact O-CB 3.3Å; E205-K208 WeakPolarHBondContact O-CB 3.23Å; E205-K208 PolarHBondContact O-N 3.07Å; E205-K208 WeakPolarHBondContact OE2-CD 3.44Å; E205-K208 WeakPolarHBondContact OE2-CE 3.44Å; E205-K208 IonicContact OE2-NZ 3.8Å; E205-K208 PolarHBondContact OE2-NZ 3.23Å
206R69.9Low79.5Confident134 Ų13450.8 Ų50.851%0.50625%0.251SS..THydrogen-bonded Turntrans-57.7141174.1-65.7-173.9176.8119.76.7110.6Y130 K208Y130-R206 VanDerWaalsContact CB-CZ 3.45Å; Y130-R206 PolarHBondContact O-NE 3.05Å; Y130-R206 PolarHBondContact O-NH2 3.02Å; R206-K208 PolarHBondContact O-N 3.12Å
207E77Confident78.1Confident128 Ų12855.6 Ų55.660%0.59826%0.262SS*.THydrogen-bonded Turntrans64.714.5179.7-51.7-169.8163.900114.7H133 E205H133-E207 HydrophobicContact CB-CG 4.41Å; H133-E207 WeakPolarHBondContact O-CA 3.3Å; H133-E207 PolarHBondContact O-N 3.43Å; E205-E207 PolarHBondContact O-N 3.4Å
208K80.9Confident76.8Confident51 Ų5162 Ų6222%0.22230%0.295CS..  trans-61.5138.7173.3-157.368.2158.8-167.20111.3Y134 I182 H183 E205 R206 I210Y134-K208 HydrophobicContact CD1-CB 4.19Å; Y134-K208 WeakPolarHBondContact CD1-O 3.45Å; Y134-K208 HydrophobicContact CE1-CB 4.18Å; I182-K208 HydrophobicContact CB-CG 4.42Å; I182-K208 HydrophobicContact CG2-CG 4.13Å; H183-K208 VanDerWaalsContact O-CE 3.26Å; H183-K208 WeakPolarHBondContact O-CE 3.46Å; H183-K208 PolarHBondContact O-NZ 3.33Å; E205-K208 HydrophobicContact CB-CB 4.44Å; E205-K208 HydrophobicContact CB-CD 4.4Å; E205-K208 VanDerWaalsContact O-CB 3.3Å; E205-K208 WeakPolarHBondContact O-CB 3.23Å; E205-K208 PolarHBondContact O-N 3.07Å; E205-K208 WeakPolarHBondContact OE2-CD 3.44Å; E205-K208 WeakPolarHBondContact OE2-CE 3.44Å; E205-K208 IonicContact OE2-NZ 3.8Å; E205-K208 PolarHBondContact OE2-NZ 3.23Å; R206-K208 PolarHBondContact O-N 3.12Å; K208-I210 PolarHBondContact O-N 3.03Å
209V85Confident74.9Confident54 Ų5463.8 Ų63.833%0.32732%0.317SS..EExtended strand (participates in β ladder)trans-78.2121.5172179.10000109.3Y137 F211Y137-V209 HydrophobicContact CD2-CG1 3.52Å; Y137-V209 HydrophobicContact CE2-CG1 4Å; Y137-V209 HydrophobicContact CG-CG1 4.16Å; V209-F211 HydrophobicContact CB-CE2 4.16Å; V209-F211 HydrophobicContact CB-CZ 4.36Å; V209-F211 HydrophobicContact CG1-CD2 4.21Å; V209-F211 HydrophobicContact CG1-CE1 4.04Å; V209-F211 HydrophobicContact CG1-CE2 3.63Å; V209-F211 HydrophobicContact CG1-CZ 3.54Å
210I88.8Confident73Confident0 Ų068.8 Ų68.80%034%0.343CS..EExtended strand (participates in β ladder)trans-104.2120.7176.2-58.4177.2000108.6Y134 S135 F136 Y137 L162 L180 I182 L204 K208Y134-I210 HydrophobicContact CD1-CD1 3.88Å; Y134-I210 HydrophobicContact CD1-CG1 4.31Å; Y134-I210 HydrophobicContact CD2-CD1 4.05Å; Y134-I210 HydrophobicContact CE1-CD1 4.47Å; Y134-I210 HydrophobicContact CG-CD1 3.68Å; Y134-I210 HydrophobicContact CG-CG1 4.41Å; S135-I210 PolarHBondContact O-N 3.36Å; F136-I210 CarbonylContact C-O 3.6Å; F136-I210 VanDerWaalsContact CA-O 3.29Å; F136-I210 WeakPolarHBondContact CA-O 3.46Å; F136-I210 HydrophobicContact CD1-CB 3.95Å; F136-I210 HydrophobicContact CD1-CG2 3.89Å; F136-I210 HydrophobicContact CE1-CB 3.89Å; F136-I210 HydrophobicContact CE1-CD1 3.91Å; F136-I210 HydrophobicContact CE1-CG1 4.49Å; F136-I210 HydrophobicContact CE1-CG2 3.7Å; F136-I210 HydrophobicContact CE2-CD1 4.46Å; F136-I210 HydrophobicContact CZ-CB 4.43Å; F136-I210 HydrophobicContact CZ-CD1 3.75Å; Y137-I210 PolarHBondContact N-O 3.23Å; L162-I210 HydrophobicContact CD1-CD1 4.39Å; L180-I210 HydrophobicContact CB-CG2 3.92Å; L180-I210 HydrophobicContact CD2-CG2 4.1Å; L180-I210 HydrophobicContact CG-CG2 4.39Å; I182-I210 HydrophobicContact CG2-CG1 4.07Å; L204-I210 HydrophobicContact CD1-CD1 4.43Å; L204-I210 HydrophobicContact CD2-CD1 4.33Å; K208-I210 PolarHBondContact O-N 3.03Å
211F88.6Confident71.2Confident21 Ų2175.2 Ų75.29%0.09237%0.365CS..EExtended strand (participates in β ladder)trans-90.1136.1178-62.3-90.2000110.5Y137 N139 A145 L180 S181 H183 F189 V209Y137-F211 CarbonylContact O-C 3.54Å; Y137-F211 VanDerWaalsContact O-CA 3.32Å; Y137-F211 WeakPolarHBondContact O-CA 3.1Å; N139-F211 HydrophobicContact CB-CB 4.36Å; N139-F211 HydrophobicContact CB-CD1 4.32Å; A145-F211 HydrophobicContact CB-CD1 4.21Å; A145-F211 HydrophobicContact CB-CE1 3.89Å; L180-F211 CarbonylContact C-O 3.57Å; L180-F211 WeakPolarHBondContact CA-O 3.48Å; S181-F211 PolarHBondContact N-O 3.06Å; S181-F211 PolarHBondContact O-N 3.46Å; H183-F211 AromaticContact CD2-CE2 3.33Å; H183-F211 WeakPolarHBondContact CD2-CE2 3.31Å; H183-F211 AromaticContact CD2-CZ 3.58Å; H183-F211 AromaticContact NE2-CE2 3.75Å; H183-F211 AromaticContact NE2-CZ 3.69Å; F189-F211 HydrophobicContact CD1-CB 4.43Å; F189-F211 HydrophobicContact CD1-CD2 4.19Å; F189-F211 HydrophobicContact CD1-CG 4.34Å; F189-F211 HydrophobicContact CE1-CB 4.03Å; F189-F211 HydrophobicContact CE1-CD1 4.01Å; F189-F211 AromaticContact CE1-CD2 3.67Å; F189-F211 HydrophobicContact CE1-CD2 3.67Å; F189-F211 HydrophobicContact CE1-CE1 4.39Å; F189-F211 HydrophobicContact CE1-CE2 4.09Å; F189-F211 AromaticContact CE1-CG 3.62Å; F189-F211 HydrophobicContact CE1-CG 3.62Å; F189-F211 HydrophobicContact CE1-CZ 4.42Å; V209-F211 HydrophobicContact CB-CE2 4.16Å; V209-F211 HydrophobicContact CB-CZ 4.36Å; V209-F211 HydrophobicContact CG1-CD2 4.21Å; V209-F211 HydrophobicContact CG1-CE1 4.04Å; V209-F211 HydrophobicContact CG1-CE2 3.63Å; V209-F211 HydrophobicContact CG1-CZ 3.54Å
212V89.7Confident69.2Low0 Ų073.6 Ų73.60%036%0.364CS..EExtended strand (participates in β ladder)trans-108.9122.2-178.5-176.60000108.8F136 Y137 L138 N139 L148 V166 L170 V178 H179 L180 L214F136-V212 HydrophobicContact CB-CG2 4.28Å; F136-V212 HydrophobicContact CD1-CG2 3.98Å; Y137-V212 PolarHBondContact O-N 3.27Å; L138-V212 HydrophobicContact CD1-CB 4.45Å; L138-V212 HydrophobicContact CD1-CG1 4.39Å; N139-V212 PolarHBondContact N-O 3.4Å; L148-V212 HydrophobicContact CD1-CB 4.07Å; L148-V212 HydrophobicContact CD1-CG1 4.42Å; L148-V212 HydrophobicContact CD1-CG2 3.95Å; V166-V212 HydrophobicContact CG1-CB 4.29Å; V166-V212 HydrophobicContact CG1-CG1 3.52Å; V166-V212 HydrophobicContact CG1-CG2 3.73Å; V166-V212 HydrophobicContact CG2-CG2 4.39Å; L170-V212 HydrophobicContact CD1-CG1 3.95Å; V178-V212 HydrophobicContact CG1-CG1 3.98Å; H179-V212 WeakPolarHBondContact O-CA 3.11Å; L180-V212 HydrophobicContact CD2-CG2 3.89Å; V212-L214 HydrophobicContact CG1-CD2 4.36Å
213Q84.8Confident67.2Low55 Ų5577.3 Ų77.326%0.25738%0.379SS..EExtended strand (participates in β ladder)trans-116.1141.5167.8-172.3165.430.900109.7H179H179-Q213 HydrophobicContact CB-CB 4.31Å; H179-Q213 PolarHBondContact N-O 3.38Å; H179-Q213 PolarHBondContact O-N 2.93Å
214L83.9Confident65.8Low29 Ų2977.8 Ų77.815%0.15238%0.381CS..EExtended strand (participates in β ladder)trans-110.2129.7179.1-61.2179.1000109.7L138 L170 V176 N177 V178 V212 I224L138-L214 HydrophobicContact CD1-CG 4.5Å; L170-L214 HydrophobicContact CD1-CD1 4.24Å; L170-L214 HydrophobicContact CD1-CD2 3.9Å; L170-L214 HydrophobicContact CD1-CG 4.42Å; V176-L214 HydrophobicContact CG1-CB 3.92Å; V176-L214 HydrophobicContact CG1-CD2 3.96Å; V176-L214 HydrophobicContact CG1-CG 4.37Å; N177-L214 WeakPolarHBondContact O-CA 3.38Å; V178-L214 HydrophobicContact CG2-CD2 3.88Å; V212-L214 HydrophobicContact CG1-CD2 4.36Å; L214-I224 HydrophobicContact CB-CD1 4.05Å; L214-I224 HydrophobicContact CD1-CD1 4.05Å
215E75.1Confident63.7Low59 Ų5982.3 Ų82.328%0.27641%0.413SS..EExtended strand (participates in β ladder)trans-117.8124.5171.7-165.3-178.3-147.300110.9N177 H179N177-E215 HydrophobicContact CB-CB 4.42Å; N177-E215 PolarHBondContact N-O 2.9Å; N177-E215 PolarHBondContact O-N 3.35Å; H179-E215 IonicContact NE2-OE2 2.78Å
216P65.6Low62Low30 Ų3081.2 Ų81.220%0.19541%0.414CS..EExtended strand (participates in β ladder)trans-76.5138.4170.824.3-20.5000110.6N218 G219 I220 S222P216-N218 PolarHBondContact O-N 3.19Å; P216-G219 PolarHBondContact O-N 3.14Å; P216-I220 WeakPolarHBondContact CG-O 3.49Å; P216-S222 WeakPolarHBondContact CG-OG 3.35Å
217R57.8Low59.9Low202 Ų20282.7 Ų82.776%0.76243%0.432SS*.THydrogen-bonded Turntrans-46-10.3-174.7-126.3-179.3-176.4-173.80.7119.1G175 G219G175-R217 VanDerWaalsContact O-CB 3.29Å; G175-R217 WeakPolarHBondContact O-CB 3.45Å; G175-R217 WeakPolarHBondContact O-CG 3.39Å; G175-R217 PolarHBondContact O-N 3.45Å; R217-G219 VanDerWaalsContact C-N 3.34Å
218N54.2Low57.8Low144 Ų14482.1 Ų82.177%0.7744%0.443SS*.THydrogen-bonded Turntrans-88.75.9-179.8-69.8-5.8000113.4P216 I220P216-N218 PolarHBondContact O-N 3.19Å; N218-I220 PolarHBondContact O-N 3.47Å
219G46.5Very low55.4Low57 Ų5784.5 Ų84.559%0.58847%0.465SS*.THydrogen-bonded Turntrans66.621.1178.500000113.8P216 R217P216-G219 PolarHBondContact O-N 3.14Å; R217-G219 VanDerWaalsContact C-N 3.34Å
220I42.9Very low52.8Low110 Ų11092.6 Ų92.656%0.56449%0.49SS*.  trans-111.9100.1176.7-60.5172.6000106.8P216 N218 S222P216-I220 WeakPolarHBondContact CG-O 3.49Å; N218-I220 PolarHBondContact O-N 3.47Å; I220-S222 PolarHBondContact O-N 3.02Å; I220-S222 PolarHBondContact O-OG 3.03Å
221R39.3Very low50.2Low191 Ų191100.2 Ų100.272%0.72153%0.53SS*.  trans-46110.9162.5-91.3-178.3162.8174.3-5.1108.3
222S34Very low47.4Very low58 Ų58108.8 Ų108.841%0.40657%0.567SS.*  trans-143.8130.4-178.440.20000109.5P216 I220 I224P216-S222 WeakPolarHBondContact CG-OG 3.35Å; I220-S222 PolarHBondContact O-N 3.02Å; I220-S222 PolarHBondContact O-OG 3.03Å; S222-I224 PolarHBondContact O-N 3.24Å
223D32.9Very low44.9Very low107 Ų107113.6 Ų113.657%0.57260%0.601SS**  trans-67.2106.9-173.4-61.5-55.3000110.6S141 S225S141-D223 WeakPolarHBondContact CB-OD1 3.44Å; S141-D223 PolarHBondContact OG-OD1 2.86Å; D223-S225 PolarHBondContact O-N 2.79Å; D223-S225 VanDerWaalsContact O-N 3.09Å
224I38.9Very low42.4Very low80 Ų80117.7 Ų117.741%0.4163%0.625SS.*  trans-74.998.4169.9-61.5179.2000107.6V176 L214 S222 V226V176-I224 HydrophobicContact CG1-CD1 4.28Å; V176-I224 HydrophobicContact CG2-CD1 4.35Å; L214-I224 HydrophobicContact CB-CD1 4.05Å; L214-I224 HydrophobicContact CD1-CD1 4.05Å; S222-I224 PolarHBondContact O-N 3.24Å; I224-V226 PolarHBondContact O-N 2.84Å
225S30.7Very low40Very low106 Ų106123.1 Ų123.174%0.74165%0.654SS**  trans-68.999.3176.466.50000110.8D223 N227D223-S225 PolarHBondContact O-N 2.79Å; D223-S225 VanDerWaalsContact O-N 3.09Å; S225-N227 PolarHBondContact O-N 2.87Å
226V36Very low38Very low89 Ų89124.5 Ų124.554%0.53967%0.67SS.*  trans-73.9124.1165.7-173.90000107.9L138 I224 S228L138-V226 HydrophobicContact CD2-CG2 4.17Å; I224-V226 PolarHBondContact O-N 2.84Å; V226-S228 PolarHBondContact O-N 2.81Å
227N26.1Very low36.5Very low165 Ų165131.6 Ų131.688%0.88270%0.704SS**  trans-65.493.2-175.8-82.8-40.6000112S225S225-N227 PolarHBondContact O-N 2.87Å
228S32.5Very low35.3Very low117 Ų117124.7 Ų124.782%0.81870%0.696SS**  trans-108.4111.4161.3-164.10000109.7V226V226-S228 PolarHBondContact O-N 2.81Å
229S29.3Very low34.4Very low100 Ų100123.2 Ų123.270%0.69970%0.697SS**  trans-89.4114.4-172.560.80000112.1
230R32.1Very low33.9Very low224 Ų224129.8 Ų129.885%0.84571%0.712SS**  trans144135.6137.4-78.3161.9-172.4-163.52113.5
231L32.6Very low33.5Very low161 Ų161129 Ų12984%0.84372%0.715SS**  trans71.2106.9164-54.4152.6000114.5
232K30.9Very low32.9Very low200 Ų200128.5 Ų128.587%0.8772%0.721SS**  56.312658.3-60.8-169.5177.1-173.80112.6
233S36.9Very low32.7Very low101 Ų101131.1 Ų131.171%0.70674%0.739SS**  cis-167.7145.59.745.80000114.6
234N31.9Very low32.4Very low142 Ų142134.2 Ų134.276%0.75975%0.75SS**  trans60.9139.7140.2-67.324.8000124.3
235D33.6Very low32Very low142 Ų142137.7 Ų137.776%0.75977%0.766SS**  trans101.1133149.5-64.3-37.2000118.6
236S33.8Very low31.8Very low88 Ų88141.4 Ų141.462%0.61578%0.777SS**  cis-173151.8-18.4-109.60000109
237I34.1Very low31.3Very low179 Ų179140.9 Ų140.992%0.91878%0.777SS**  trans72.4134.6170.3-51.4145.1000115.4
238G32.7Very low31.5Very low58 Ų58140.6 Ų140.660%0.59878%0.775SS**  cis170.2156.8-7.300000113
239S35.4Very low31.2Very low112 Ų112144.5 Ų144.578%0.78378%0.78SS**  trans49103.1164.953.70000119
240Q35.4Very low31.1Very low195 Ų195141.9 Ų141.991%0.91177%0.768SS**  95.1146.680.4-85.4-118.7-58.800114.2
241P34.5Very low31Very low95 Ų95137.7 Ų137.762%0.61777%0.773SS**  trans-122-170.7-149.643.1-28.6000115.2
242E26.9Very low31.4Very low180 Ų180132.8 Ų132.884%0.84176%0.762SS**  trans59.691.5161.9-66.9178.4157.800117.8
243S29.6Very low32.5Very low113 Ų113129 Ų12979%0.7976%0.758SS**  trans172.358.2140.8-79.30000112.6
244Q27.6Very low33.8Very low172 Ų172129.9 Ų129.980%0.80476%0.761SS**  trans-171.595.4170.4-109.3143.890.300113.1
245M28.8Very low36.4Very low153 Ų153126.9 Ų126.975%0.75475%0.745SS**  trans-153.138.1149.6-117.6165.67500112.9
246L27.2Very low39.1Very low183 Ų183122.1 Ų122.196%0.95872%0.721SS**SBendtrans-113.946.3165-90167.3000110.1
247S26.1Very low42Very low78 Ų78120.2 Ų120.255%0.54571%0.706SS.*  trans-166.768.1173.661.80000113.9H249S247-H249 PolarHBondContact O-N 2.62Å
248L29.1Very low44.8Very low160 Ų160111.7 Ų111.784%0.83866%0.662SS**  trans-85.147.1159.6-104.7157.5000111.3G250L248-G250 VanDerWaalsContact C-N 3.3Å; L248-G250 PolarHBondContact O-N 2.72Å
249H27Very low47.8Very low198 Ų198109.6 Ų109.692%0.91764%0.638SS**  trans-86.976.1159.6-82-48000108.2S247S247-H249 PolarHBondContact O-N 2.62Å
250G26.3Very low50.4Low45 Ų45104.4 Ų104.446%0.46460%0.602SS.*SBendtrans-159.289.3-175.400000113.3L248 G252L248-G250 VanDerWaalsContact C-N 3.3Å; L248-G250 PolarHBondContact O-N 2.72Å; G250-G252 VanDerWaalsContact C-N 3.35Å; G250-G252 PolarHBondContact O-N 2.81Å
251S31.1Very low52.9Low136 Ų13695.1 Ų95.195%0.95156%0.558SS**SBendtrans53.127.2158.959.80000119.8
252G41Very low55.4Low59 Ų5990.6 Ų90.661%0.60853%0.529SS*.PPolyproline II helixtrans-85.4153.1156.900000111.4G250G250-G252 VanDerWaalsContact C-N 3.35Å; G250-G252 PolarHBondContact O-N 2.81Å
253P53.4Low58.2Low119 Ų11983 Ų8377%0.77349%0.494SS*.PPolyproline II helixtrans-6014716727.4-33.6000110.1L255P253-L255 PolarHBondContact O-N 2.99Å
254P65.3Low60.7Low120 Ų12079.7 Ų79.778%0.77947%0.468SS*.PPolyproline II helixtrans-62.7131.9-178.226-34.1000110.9
255L85.2Confident63.1Low80 Ų8072.7 Ų72.742%0.41944%0.435SS..PPolyproline II helixtrans-66.3135.9176.2-66.7171000110.3P253 A326P253-L255 PolarHBondContact O-N 2.99Å; L255-A326 HydrophobicContact CD2-CB 4.38Å
256V90.8Very high64.9Low42 Ų4265.5 Ų65.526%0.25540%0.401SS..PPolyproline II helixtrans-89.9125.3-175.3176.40000109.9G258 V259 T819V256-G258 PolarHBondContact O-N 2.95Å; V256-V259 HydrophobicContact CB-CB 4.02Å; V256-V259 HydrophobicContact CB-CG2 3.75Å; V256-V259 HydrophobicContact CG1-CB 4.42Å; V256-V259 HydrophobicContact CG1-CG2 3.67Å; V256-V259 WeakPolarHBondContact O-CB 3.42Å; V256-V259 PolarHBondContact O-N 2.99Å; V256-T819 HydrophobicContact CG1-CG2 3.5Å; V256-T819 VanDerWaalsContact CG1-CG2 3.5Å; V256-T819 HydrophobicContact CG2-CG2 4.3Å
257P94.6Very high67.4Low47 Ų4759.8 Ų59.831%0.30537%0.371SS..THydrogen-bonded Turntrans-54.2125.2174-28.736.8000112.9V259 W321 N816P257-V259 VanDerWaalsContact C-N 3.34Å; P257-W321 HydrophobicContact CB-CE3 4.3Å; P257-N816 PolarHBondContact O-ND2 2.92Å
258G93.7Very high70.3Confident0 Ų056.2 Ų56.20%035%0.346CS..THydrogen-bonded Turntrans89.7-10-175.700000114.5V256 C260 L320V256-G258 PolarHBondContact O-N 2.95Å; G258-C260 PolarHBondContact O-N 2.88Å; G258-L320 PolarHBondContact N-O 3.31Å; G258-L320 VanDerWaalsContact N-O 3.09Å
259V94Very high73.2Confident15 Ų1548.8 Ų48.89%0.09131%0.307CS..  trans-97.878.2169.7-172.60000107.8V256 P257 Y823V256-V259 HydrophobicContact CB-CB 4.02Å; V256-V259 HydrophobicContact CB-CG2 3.75Å; V256-V259 HydrophobicContact CG1-CB 4.42Å; V256-V259 HydrophobicContact CG1-CG2 3.67Å; V256-V259 WeakPolarHBondContact O-CB 3.42Å; V256-V259 PolarHBondContact O-N 2.99Å; P257-V259 VanDerWaalsContact C-N 3.34Å; V259-Y823 HydrophobicContact CB-CD1 4.43Å; V259-Y823 HydrophobicContact CB-CE1 4.45Å; V259-Y823 HydrophobicContact CG1-CD1 3.59Å; V259-Y823 HydrophobicContact CG1-CE1 3.83Å; V259-Y823 HydrophobicContact CG1-CG 4.17Å; V259-Y823 HydrophobicContact CG2-CD1 3.89Å; V259-Y823 HydrophobicContact CG2-CD2 3.85Å; V259-Y823 HydrophobicContact CG2-CE1 3.74Å; V259-Y823 HydrophobicContact CG2-CE2 3.69Å; V259-Y823 HydrophobicContact CG2-CG 3.96Å
260C90.8Very high76.3Confident2 Ų239.9 Ų39.91%0.01427%0.266CS..  trans-143.7123.5-174.6-179.40000109.2G258 Q276 L320 A326 Y327G258-C260 PolarHBondContact O-N 2.88Å; C260-Q276 PolarHBondContact O-NE2 3.11Å; C260-L320 HydrophobicContact CB-CB 4.41Å; C260-L320 HydrophobicContact CB-CD2 3.84Å; C260-L320 WeakPolarHBondContact CB-O 3.37Å; C260-A326 CarbonylContact C-O 3.44Å; C260-A326 WeakPolarHBondContact CA-O 3.45Å; C260-Y327 VanDerWaalsContact SG-C 3.51Å; C260-Y327 VanDerWaalsContact SG-CA 3.53Å
261G87.2Confident79.5Confident0 Ų038 Ų380%025%0.245CC..EExtended strand (participates in β ladder)trans-71.1173.9178.800000113.7A326 Y327 A328 D827G261-A326 PolarHBondContact N-O 3.32Å; G261-Y327 CarbonylContact O-C 3.55Å; G261-Y327 VanDerWaalsContact O-CA 3.26Å; G261-Y327 WeakPolarHBondContact O-CA 3.41Å; G261-A328 PolarHBondContact O-N 3.2Å; G261-D827 CarbonylContact C-O 3.51Å; G261-D827 VanDerWaalsContact CA-O 3.25Å; G261-D827 WeakPolarHBondContact CA-O 3.48Å
262L87.9Confident82.6Confident0 Ų031.7 Ų31.70%020%0.201CC..EExtended strand (participates in β ladder)trans-133.3116.9175.4-72.7171.9000109.7N272 L275 Q276 L316 L320 A328 P330 D827 S828L262-N272 HydrophobicContact CB-CB 3.95Å; L262-N272 WeakPolarHBondContact CB-OD1 3.35Å; L262-N272 HydrophobicContact CD1-CB 4.24Å; L262-N272 PolarHBondContact O-ND2 3.1Å; L262-L275 HydrophobicContact CD1-CB 3.64Å; L262-L275 HydrophobicContact CD1-CD1 3.95Å; L262-L275 HydrophobicContact CD1-CG 4.47Å; L262-Q276 HydrophobicContact CD1-CG 4.31Å; L262-L316 HydrophobicContact CD2-CD1 3.97Å; L262-L316 HydrophobicContact CD2-CD2 4.4Å; L262-L320 HydrophobicContact CD2-CD2 3.87Å; L262-L320 HydrophobicContact CG-CD2 4.21Å; L262-A328 VanDerWaalsContact CA-O 3.32Å; L262-A328 WeakPolarHBondContact CA-O 3.26Å; L262-A328 HydrophobicContact CD2-CB 4.21Å; L262-P330 HydrophobicContact CD2-CB 4.18Å; L262-P330 HydrophobicContact CD2-CG 4.14Å; L262-D827 PolarHBondContact N-O 2.83Å; L262-D827 CarbonylContact O-C 3.56Å; L262-D827 WeakPolarHBondContact O-CA 3.38Å; L262-D827 WeakPolarHBondContact O-CB 3.21Å; L262-S828 PolarHBondContact O-N 3.42Å
263N85.9Confident85.3Confident21 Ų2129 Ų2911%0.11217%0.173CC..  trans-60.8143.3179.8-7657.8000111.9E185 L265 N272 Y327 A328 V329 S828E185-N263 PolarHBondContact OE1-ND2 3Å; N263-L265 PolarHBondContact O-N 3Å; N263-N272 PolarHBondContact O-ND2 3.37Å; N263-N272 VanDerWaalsContact O-ND2 3.14Å; N263-Y327 WeakPolarHBondContact OD1-CD2 3.37Å; N263-Y327 VanDerWaalsContact OD1-CE2 3.23Å; N263-Y327 WeakPolarHBondContact OD1-CE2 3.2Å; N263-A328 PolarHBondContact N-O 3.12Å; N263-V329 HydrophobicContact CB-CG2 4.41Å; N263-S828 WeakPolarHBondContact OD1-CB 3.35Å
264N82.3Confident87.3Confident44 Ų4423.3 Ų23.324%0.23514%0.136CC..  trans-74.1122.1172.5-158.5-42.8000109.2G266 N267 T268 D827N264-G266 VanDerWaalsContact C-N 3.26Å; N264-G266 PolarHBondContact O-N 3.4Å; N264-G266 WeakPolarHBondContact OD1-CA 3.16Å; N264-G266 PolarHBondContact OD1-N 3.36Å; N264-G266 VanDerWaalsContact OD1-N 3.1Å; N264-N267 PolarHBondContact OD1-N 3.18Å; N264-T268 PolarHBondContact OD1-N 3.15Å; N264-D827 HydrophobicContact CB-CB 4.18Å; N264-D827 WeakPolarHBondContact CB-OD2 3.34Å; N264-D827 PolarHBondContact ND2-OD2 3.13Å
265L77.7Confident88.9Confident24 Ų2417.8 Ų17.813%0.12610%0.1CC..SBendtrans-98.337.7178.1-61.5177.5000110.7N263 T268 V329 P330 R331 K334 Y347N263-L265 PolarHBondContact O-N 3Å; L265-T268 HydrophobicContact CB-CG2 3.87Å; L265-T268 PolarHBondContact N-OG1 2.83Å; L265-V329 HydrophobicContact CD2-CG1 3.84Å; L265-P330 HydrophobicContact CD1-CG 4.1Å; L265-R331 HydrophobicContact CD1-CB 4.35Å; L265-K334 HydrophobicContact CB-CD 3.98Å; L265-K334 HydrophobicContact CD1-CB 4.23Å; L265-K334 HydrophobicContact CD1-CD 4.03Å; L265-K334 PolarHBondContact O-NZ 3.18Å; L265-Y347 VanDerWaalsContact O-CD1 3.23Å; L265-Y347 WeakPolarHBondContact O-CD1 3.26Å; L265-Y347 WeakPolarHBondContact O-CE1 3.19Å
266G67Low89.5Confident3 Ų314.1 Ų14.13%0.0318%0.081CC..SBendtrans76.7108-173.900000113.3N203 N264 T268N203-G266 PolarHBondContact ND2-N 2.64Å; N203-G266 WeakPolarHBondContact OD1-CA 3.33Å; N203-G266 PolarHBondContact OD1-N 2.72Å; N264-G266 VanDerWaalsContact C-N 3.26Å; N264-G266 PolarHBondContact O-N 3.4Å; N264-G266 WeakPolarHBondContact OD1-CA 3.16Å; N264-G266 PolarHBondContact OD1-N 3.36Å; N264-G266 VanDerWaalsContact OD1-N 3.1Å; G266-T268 WeakPolarHBondContact O-CG2 3.42Å; G266-T268 PolarHBondContact O-N 3.16Å; G266-T268 VanDerWaalsContact O-N 3.08Å
267N79.7Confident89.8Confident63 Ų6312.1 Ų12.134%0.3377%0.069SC..SBendtrans51.523-174.8-76.5-46.5000114.7N264 C269 F270 Y347 Q349N264-N267 PolarHBondContact OD1-N 3.18Å; N267-C269 VanDerWaalsContact C-N 3.34Å; N267-C269 PolarHBondContact O-N 3.36Å; N267-F270 WeakPolarHBondContact O-CD1 3.34Å; N267-F270 VanDerWaalsContact O-CE1 3.22Å; N267-F270 WeakPolarHBondContact O-CE1 3.48Å; N267-Y347 VanDerWaalsContact CB-O 3.24Å; N267-Y347 WeakPolarHBondContact CB-O 3.43Å; N267-Y347 PolarHBondContact ND2-O 3.01Å; N267-Q349 HydrophobicContact CB-CG 3.94Å; N267-Q349 WeakPolarHBondContact OD1-CG 3.42Å; N267-Q349 PolarHBondContact OD1-NE2 2.89Å
268T86.3Confident90Very high3 Ų310 Ų102%0.0185%0.054CC..THydrogen-bonded Turntrans-92.815-179.571.90000114.1N264 L265 G266 F270 M271 N272 K334N264-T268 PolarHBondContact OD1-N 3.15Å; L265-T268 HydrophobicContact CB-CG2 3.87Å; L265-T268 PolarHBondContact N-OG1 2.83Å; G266-T268 WeakPolarHBondContact O-CG2 3.42Å; G266-T268 PolarHBondContact O-N 3.16Å; G266-T268 VanDerWaalsContact O-N 3.08Å; T268-F270 PolarHBondContact O-N 2.77Å; T268-M271 HydrophobicContact CG2-CE 4.26Å; T268-M271 WeakPolarHBondContact O-CA 3.4Å; T268-M271 WeakPolarHBondContact O-CB 3.3Å; T268-M271 PolarHBondContact O-N 3.27Å; T268-N272 PolarHBondContact O-N 2.91Å; T268-K334 HydrophobicContact CG2-CD 4.01Å
269C90.5Very high90.1Very high3 Ų310 Ų102%0.025%0.054CC..Hα-helixtrans-58.5-31.3175.7550000112.2N267 M271 N272 S273 H809 D827N267-C269 VanDerWaalsContact C-N 3.34Å; N267-C269 PolarHBondContact O-N 3.36Å; C269-M271 VanDerWaalsContact C-N 3.31Å; C269-M271 PolarHBondContact O-N 2.9Å; C269-N272 PolarHBondContact O-N 2.95Å; C269-S273 WeakPolarHBondContact O-CB 3.21Å; C269-S273 PolarHBondContact O-N 3.07Å; C269-H809 VanDerWaalsContact CB-CE1 3.46Å; C269-H809 WeakPolarHBondContact CB-CE1 3.43Å; C269-H809 VanDerWaalsContact CB-ND1 3.32Å; C269-H809 WeakPolarHBondContact CB-ND1 3.35Å; C269-H809 PolarHBondContact SG-ND1 3.43Å; C269-D827 WeakPolarHBondContact CA-OD1 3.49Å
270F91.6Very high90.3Very high11 Ų119.3 Ų9.35%0.0485%0.05CC..Hα-helixtrans-59.8-41.7171.774.7-87.7000112.2N267 T268 A274 F344 H350 T352 L355 Y810N267-F270 WeakPolarHBondContact O-CD1 3.34Å; N267-F270 VanDerWaalsContact O-CE1 3.22Å; N267-F270 WeakPolarHBondContact O-CE1 3.48Å; T268-F270 PolarHBondContact O-N 2.77Å; F270-A274 PolarHBondContact O-N 3.37Å; F270-A274 VanDerWaalsContact O-N 3.11Å; F270-F344 AromaticContact CE2-CD1 3.98Å; F270-F344 HydrophobicContact CE2-CD1 3.98Å; F270-F344 HydrophobicContact CE2-CE1 4.4Å; F270-F344 HydrophobicContact CZ-CD1 4.28Å; F270-H350 VanDerWaalsContact CB-O 3.27Å; F270-H350 WeakPolarHBondContact CB-O 3.06Å; F270-H350 HydrophobicContact CD1-CB 4.08Å; F270-H350 HydrophobicContact CD2-CB 3.81Å; F270-H350 HydrophobicContact CE1-CB 3.98Å; F270-H350 AromaticContact CE1-CD2 3.71Å; F270-H350 HydrophobicContact CE2-CB 3.69Å; F270-H350 HydrophobicContact CG-CB 4.02Å; F270-H350 HydrophobicContact CZ-CB 3.8Å; F270-H350 AromaticContact CZ-CD2 3.58Å; F270-H350 AromaticContact CZ-CG 4Å; F270-T352 WeakPolarHBondContact CA-OG1 3.49Å; F270-T352 VanDerWaalsContact CB-OG1 3.32Å; F270-T352 WeakPolarHBondContact CB-OG1 3.31Å; F270-T352 PolarHBondContact O-OG1 3.42Å; F270-L355 HydrophobicContact CD2-CB 4.05Å; F270-L355 HydrophobicContact CD2-CD2 3.86Å; F270-L355 HydrophobicContact CE2-CB 4.1Å; F270-L355 HydrophobicContact CE2-CD1 4.35Å; F270-L355 HydrophobicContact CE2-CD2 3.77Å; F270-L355 HydrophobicContact CE2-CG 4.28Å; F270-Y810 HydrophobicContact CB-CD2 3.53Å; F270-Y810 HydrophobicContact CB-CE2 3.74Å; F270-Y810 HydrophobicContact CB-CG 4.19Å
271M94.1Very high90.6Very high5 Ų59.2 Ų9.23%0.0255%0.05CC..Hα-helixtrans-69.4-43.7176.3177.5179.274.700111.5T268 C269 S273 A274 L275 P330 F333 K334 L355T268-M271 HydrophobicContact CG2-CE 4.26Å; T268-M271 WeakPolarHBondContact O-CA 3.4Å; T268-M271 WeakPolarHBondContact O-CB 3.3Å; T268-M271 PolarHBondContact O-N 3.27Å; C269-M271 VanDerWaalsContact C-N 3.31Å; C269-M271 PolarHBondContact O-N 2.9Å; M271-S273 VanDerWaalsContact C-N 3.35Å; M271-S273 PolarHBondContact O-N 3.1Å; M271-A274 PolarHBondContact O-N 2.86Å; M271-L275 HydrophobicContact CG-CD1 3.67Å; M271-L275 HydrophobicContact CG-CG 4.32Å; M271-L275 WeakPolarHBondContact O-CB 3.43Å; M271-L275 WeakPolarHBondContact O-CD1 3.26Å; M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 2.92Å; M271-L275 HydrophobicContact SD-CD1 4.48Å; M271-P330 HydrophobicContact CE-CB 4.15Å; M271-P330 HydrophobicContact CE-CG 3.77Å; M271-F333 HydrophobicContact CG-CD1 4.42Å; M271-F333 HydrophobicContact CG-CE1 4.19Å; M271-F333 HydrophobicContact SD-CD1 3.82Å; M271-F333 HydrophobicContact SD-CE1 4.03Å; M271-K334 HydrophobicContact CE-CB 4.03Å; M271-K334 HydrophobicContact SD-CB 4.22Å; M271-L355 HydrophobicContact CB-CD2 3.58Å; M271-L355 HydrophobicContact CG-CD2 3.75Å
272N95.6Very high91.1Very high4 Ų411.6 Ų11.62%0.0217%0.065CC..Hα-helixtrans-62.4-43.7178.8-65.6-17.4000110.6L262 N263 T268 C269 L275 Q276 D827L262-N272 HydrophobicContact CB-CB 3.95Å; L262-N272 WeakPolarHBondContact CB-OD1 3.35Å; L262-N272 HydrophobicContact CD1-CB 4.24Å; L262-N272 PolarHBondContact O-ND2 3.1Å; N263-N272 PolarHBondContact O-ND2 3.37Å; N263-N272 VanDerWaalsContact O-ND2 3.14Å; T268-N272 PolarHBondContact O-N 2.91Å; C269-N272 PolarHBondContact O-N 2.95Å; N272-L275 PolarHBondContact O-N 2.84Å; N272-Q276 VanDerWaalsContact O-CG 3.26Å; N272-Q276 WeakPolarHBondContact O-CG 3.3Å; N272-Q276 PolarHBondContact O-N 2.63Å; N272-D827 WeakPolarHBondContact CB-OD1 3.39Å; N272-D827 PolarHBondContact ND2-OD1 3.42Å
273S96.6Very high91.5Very high3 Ų313.8 Ų13.82%0.0218%0.083CC..Hα-helixtrans-61.2-50.6175.2-1710000112.8C269 M271 L275 Q276 C277 S799 T811C269-S273 WeakPolarHBondContact O-CB 3.21Å; C269-S273 PolarHBondContact O-N 3.07Å; M271-S273 VanDerWaalsContact C-N 3.35Å; M271-S273 PolarHBondContact O-N 3.1Å; S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.68Å; S273-Q276 PolarHBondContact O-N 3.1Å; S273-C277 PolarHBondContact O-N 2.97Å; S273-C277 PolarHBondContact O-SG 3.43Å; S273-C277 VanDerWaalsContact O-SG 3.37Å; S273-S799 VanDerWaalsContact OG-CB 3.25Å; S273-S799 WeakPolarHBondContact OG-CB 3.24Å; S273-S799 PolarHBondContact OG-OG 2.84Å; S273-T811 PolarHBondContact OG-O 2.7Å
274A96.7Very high92.1Very high0 Ų012.8 Ų12.80%08%0.078CC..Hα-helixtrans-55.8-44.9176.200000112.2F270 M271 C277 M278 T352 L355 L356F270-A274 PolarHBondContact O-N 3.37Å; F270-A274 VanDerWaalsContact O-N 3.11Å; M271-A274 PolarHBondContact O-N 2.86Å; A274-C277 PolarHBondContact O-N 3.05Å; A274-M278 WeakPolarHBondContact O-CG 3.35Å; A274-M278 PolarHBondContact O-N 3.37Å; A274-T352 HydrophobicContact CB-CG2 3.95Å; A274-L355 HydrophobicContact CB-CD2 4.18Å; A274-L356 HydrophobicContact CB-CB 4.29Å
275L97.7Very high92.8Very high3 Ų310.9 Ų10.92%0.0167%0.068CC..Hα-helixtrans-65.2-41.8179.3-73.8169.4000112.1L262 M271 N272 S273 M278 S279 Y313 L316 P330 F333 L359L262-L275 HydrophobicContact CD1-CB 3.64Å; L262-L275 HydrophobicContact CD1-CD1 3.95Å; L262-L275 HydrophobicContact CD1-CG 4.47Å; M271-L275 HydrophobicContact CG-CD1 3.67Å; M271-L275 HydrophobicContact CG-CG 4.32Å; M271-L275 WeakPolarHBondContact O-CB 3.43Å; M271-L275 WeakPolarHBondContact O-CD1 3.26Å; M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 2.92Å; M271-L275 HydrophobicContact SD-CD1 4.48Å; N272-L275 PolarHBondContact O-N 2.84Å; S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.68Å; L275-M278 PolarHBondContact O-N 2.76Å; L275-S279 WeakPolarHBondContact O-CB 3.46Å; L275-S279 PolarHBondContact O-N 2.92Å; L275-Y313 HydrophobicContact CD2-CD2 4.03Å; L275-Y313 HydrophobicContact CD2-CE2 3.9Å; L275-L316 HydrophobicContact CD1-CD2 3.79Å; L275-L316 HydrophobicContact CD2-CD2 4.05Å; L275-L316 HydrophobicContact CG-CD2 4.46Å; L275-P330 HydrophobicContact CD1-CB 4.43Å; L275-F333 HydrophobicContact CD1-CD1 3.9Å; L275-F333 HydrophobicContact CD1-CE1 3.9Å; L275-F333 HydrophobicContact CD2-CD1 4.28Å; L275-F333 HydrophobicContact CD2-CE1 3.74Å; L275-F333 HydrophobicContact CD2-CE2 4.33Å; L275-F333 HydrophobicContact CD2-CZ 3.76Å; L275-F333 HydrophobicContact CG-CE1 4.15Å; L275-L359 HydrophobicContact CD2-CD2 4.13Å
276Q97.9Very high93.7Very high4 Ų413.2 Ų13.22%0.0199%0.086CC..Hα-helixtrans-65.1-40175.9-67.2-64.84.500111.9C260 L262 N272 S273 N280 A812 F825C260-Q276 PolarHBondContact O-NE2 3.11Å; L262-Q276 HydrophobicContact CD1-CG 4.31Å; N272-Q276 VanDerWaalsContact O-CG 3.26Å; N272-Q276 WeakPolarHBondContact O-CG 3.3Å; N272-Q276 PolarHBondContact O-N 2.63Å; S273-Q276 PolarHBondContact O-N 3.1Å; Q276-N280 PolarHBondContact O-N 2.92Å; Q276-N280 PolarHBondContact O-ND2 3.02Å; Q276-A812 HydrophobicContact CB-CB 3.76Å; Q276-F825 HydrophobicContact CB-CB 4.4Å; Q276-F825 HydrophobicContact CB-CG 4.34Å; Q276-F825 HydrophobicContact CG-CB 3.82Å; Q276-F825 HydrophobicContact CG-CD1 4.02Å; Q276-F825 HydrophobicContact CG-CG 3.93Å
277C98.1Very high95.2Very high0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-61.1-47.6174.4-68.70000112.2S273 A274 N280 A797 V847S273-C277 PolarHBondContact O-N 2.97Å; S273-C277 PolarHBondContact O-SG 3.43Å; S273-C277 VanDerWaalsContact O-SG 3.37Å; A274-C277 PolarHBondContact O-N 3.05Å; C277-N280 PolarHBondContact O-N 3.39Å; C277-A797 HydrophobicContact CB-CB 3.97Å; C277-V847 HydrophobicContact CB-CG2 4.11Å
278M97.7Very high96.1Very high1 Ų111 Ų111%0.0057%0.072CC..Hα-helixtrans-73.9-33.4-179.5-63.6-60.993.200113A274 L275 N280 V281 L284 Y313 L356 L359 L360 F409 V749 V847A274-M278 WeakPolarHBondContact O-CG 3.35Å; A274-M278 PolarHBondContact O-N 3.37Å; L275-M278 PolarHBondContact O-N 2.76Å; M278-N280 PolarHBondContact O-N 3.09Å; M278-V281 HydrophobicContact CE-CG2 4.15Å; M278-V281 WeakPolarHBondContact O-CB 3.4Å; M278-V281 PolarHBondContact O-N 3.15Å; M278-V281 VanDerWaalsContact O-N 3.16Å; M278-L284 HydrophobicContact CB-CD2 4.37Å; M278-Y313 WeakPolarHBondContact CB-OH 3.31Å; M278-L356 HydrophobicContact CE-CD1 3.91Å; M278-L356 HydrophobicContact CE-CG 4.32Å; M278-L356 HydrophobicContact CG-CG 4.47Å; M278-L356 HydrophobicContact SD-CD2 4.43Å; M278-L356 HydrophobicContact SD-CG 4.31Å; M278-L359 HydrophobicContact CG-CD2 4.37Å; M278-L360 HydrophobicContact SD-CD2 4.04Å; M278-F409 HydrophobicContact CE-CE1 4.33Å; M278-F409 HydrophobicContact SD-CE1 3.92Å; M278-F409 HydrophobicContact SD-CZ 3.93Å; M278-V749 HydrophobicContact CE-CG2 4.38Å; M278-V847 HydrophobicContact CE-CG1 4.21Å; M278-V847 HydrophobicContact CE-CG2 3.86Å
279S97.7Very high96.6Very high0 Ų014.4 Ų14.40%09%0.09CC..Hα-helixtrans-59.6-32.5174.1178.30000112.5L275 T285 W321L275-S279 WeakPolarHBondContact O-CB 3.46Å; L275-S279 PolarHBondContact O-N 2.92Å; S279-T285 PolarHBondContact O-OG1 3.03Å; S279-W321 WeakPolarHBondContact O-CZ2 3.48Å; S279-W321 PolarHBondContact O-NE1 2.98Å; S279-W321 PolarHBondContact OG-NE1 3.34Å
280N97.4Very high96.9Very high2 Ų217.6 Ų17.61%0.01111%0.112CC..THydrogen-bonded Turntrans-92.46.4179.1-72.4-83.3000114.2Q276 C277 M278 P282 A814Q276-N280 PolarHBondContact O-N 2.92Å; Q276-N280 PolarHBondContact O-ND2 3.02Å; C277-N280 PolarHBondContact O-N 3.39Å; M278-N280 PolarHBondContact O-N 3.09Å; N280-P282 WeakPolarHBondContact O-CD 3.41Å; N280-A814 HydrophobicContact CB-CB 3.64Å; N280-A814 VanDerWaalsContact CG-CB 3.45Å; N280-A814 WeakPolarHBondContact ND2-CB 3.34Å
281V97.9Very high97.1Very high0 Ų018.1 Ų18.10%012%0.121CC..  trans-76.3107.6168177.10000109M278 A283 L284 T285 F409 V747 V847M278-V281 HydrophobicContact CE-CG2 4.15Å; M278-V281 WeakPolarHBondContact O-CB 3.4Å; M278-V281 PolarHBondContact O-N 3.15Å; M278-V281 VanDerWaalsContact O-N 3.16Å; V281-A283 PolarHBondContact O-N 2.9Å; V281-L284 HydrophobicContact CB-CB 4.06Å; V281-L284 HydrophobicContact CG1-CB 3.87Å; V281-L284 PolarHBondContact O-N 2.83Å; V281-T285 PolarHBondContact O-N 2.81Å; V281-T285 VanDerWaalsContact O-N 3.09Å; V281-F409 HydrophobicContact CG1-CZ 4.17Å; V281-F409 HydrophobicContact CG2-CZ 4.29Å; V281-V747 HydrophobicContact CG1-CG1 4.07Å; V281-V747 HydrophobicContact CG1-CG2 3.8Å; V281-V747 HydrophobicContact CG2-CG1 4.18Å; V281-V847 HydrophobicContact CG2-CG1 3.93Å
282P96.5Very high97.1Very high50 Ų5022.5 Ų22.533%0.32514%0.14SC..Hα-helixtrans-65.2-36.3-162.5-24.335.8000113.8N280 S286 A817N280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-S286 VanDerWaalsContact O-CB 3.23Å; P282-S286 WeakPolarHBondContact O-CB 3.43Å; P282-S286 PolarHBondContact O-N 2.8Å; P282-S286 PolarHBondContact O-OG 3.13Å; P282-A817 HydrophobicContact CB-CB 4.28Å; P282-A817 HydrophobicContact CG-CB 4.07Å
283A96.6Very high97.2Very high45 Ų4522.9 Ų22.937%0.37214%0.141SC..Hα-helixtrans-69.1-40.2179.200000112.7V281 Y287 L408V281-A283 PolarHBondContact O-N 2.9Å; A283-Y287 WeakPolarHBondContact O-CB 3.36Å; A283-Y287 PolarHBondContact O-N 3.42Å; A283-Y287 VanDerWaalsContact O-N 3.08Å; A283-L408 HydrophobicContact CB-CD1 3.92Å; A283-L408 HydrophobicContact CB-CD2 3.67Å; A283-L408 HydrophobicContact CB-CG 4.49Å
284L97.6Very high97.2Very high0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-67.1-49.4179-173.665.6000110.6M278 V281 S286 Y287 F288 Y313 I404 I405 L408 F409M278-L284 HydrophobicContact CB-CD2 4.37Å; V281-L284 HydrophobicContact CB-CB 4.06Å; V281-L284 HydrophobicContact CG1-CB 3.87Å; V281-L284 PolarHBondContact O-N 2.83Å; L284-S286 PolarHBondContact O-N 2.84Å; L284-Y287 WeakPolarHBondContact O-CB 3.45Å; L284-Y287 PolarHBondContact O-N 2.79Å; L284-F288 HydrophobicContact CD1-CD2 4.2Å; L284-F288 HydrophobicContact CD1-CE2 3.72Å; L284-F288 HydrophobicContact CG-CD2 4.2Å; L284-F288 HydrophobicContact CG-CE2 4.09Å; L284-F288 WeakPolarHBondContact O-CD2 3.4Å; L284-F288 PolarHBondContact O-N 3.15Å; L284-F288 VanDerWaalsContact O-N 3.1Å; L284-Y313 HydrophobicContact CD2-CE1 4.43Å; L284-I404 HydrophobicContact CD1-CG2 4.49Å; L284-I405 HydrophobicContact CD1-CD1 3.8Å; L284-L408 HydrophobicContact CB-CD1 4.09Å; L284-L408 HydrophobicContact CD1-CD1 4.37Å; L284-F409 HydrophobicContact CD1-CE2 4.43Å; L284-F409 HydrophobicContact CD2-CE2 4.14Å; L284-F409 HydrophobicContact CD2-CZ 4.1Å
285T97.9Very high97.2Very high5 Ų534.4 Ų34.43%0.03120%0.204CC..Hα-helixtrans-62.8-42.6177.8-750000112.2S279 V281 Y287 F288 L289 I317 W321S279-T285 PolarHBondContact O-OG1 3.03Å; V281-T285 PolarHBondContact O-N 2.81Å; V281-T285 VanDerWaalsContact O-N 3.09Å; T285-Y287 VanDerWaalsContact C-N 3.29Å; T285-Y287 PolarHBondContact O-N 2.86Å; T285-F288 PolarHBondContact O-N 2.8Å; T285-L289 HydrophobicContact CG2-CD1 3.64Å; T285-L289 HydrophobicContact CG2-CG 4.14Å; T285-L289 WeakPolarHBondContact O-CB 3.45Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 2.81Å; T285-I317 HydrophobicContact CG2-CG2 4.06Å; T285-W321 HydrophobicContact CG2-CD2 3.8Å; T285-W321 HydrophobicContact CG2-CE3 4.44Å; T285-W321 HydrophobicContact CG2-CG 3.96Å; T285-W321 HydrophobicContact CG2-CZ2 4.21Å
286S97.2Very high97.1Very high73 Ų7336.7 Ų36.751%0.5122%0.215SC..Hα-helixtrans-60-38.5174.5-61.70000112.7P282 L284 S290P282-S286 VanDerWaalsContact O-CB 3.23Å; P282-S286 WeakPolarHBondContact O-CB 3.43Å; P282-S286 PolarHBondContact O-N 2.8Å; P282-S286 PolarHBondContact O-OG 3.13Å; L284-S286 PolarHBondContact O-N 2.84Å; S286-S290 WeakPolarHBondContact O-CB 3.03Å; S286-S290 PolarHBondContact O-N 3.48Å; S286-S290 PolarHBondContact O-OG 3.43Å
287Y97.9Very high97Very high18 Ų1838.4 Ų38.47%0.07122%0.224CC..Hα-helixtrans-64.4-42.6176.3170.2-89.8000112.1A283 L284 T285 S290 K292 W293 E296 L367 I404A283-Y287 WeakPolarHBondContact O-CB 3.36Å; A283-Y287 PolarHBondContact O-N 3.42Å; A283-Y287 VanDerWaalsContact O-N 3.08Å; L284-Y287 WeakPolarHBondContact O-CB 3.45Å; L284-Y287 PolarHBondContact O-N 2.79Å; T285-Y287 VanDerWaalsContact C-N 3.29Å; T285-Y287 PolarHBondContact O-N 2.86Å; Y287-S290 PolarHBondContact O-OG 3.44Å; Y287-K292 HydrophobicContact CD2-CB 4.05Å; Y287-K292 HydrophobicContact CE2-CB 4.11Å; Y287-W293 HydrophobicContact CD1-CB 4.06Å; Y287-W293 HydrophobicContact CE1-CB 3.33Å; Y287-W293 WeakPolarHBondContact OH-CA 3.34Å; Y287-E296 VanDerWaalsContact CE2-OE2 3.27Å; Y287-E296 WeakPolarHBondContact CE2-OE2 3.37Å; Y287-E296 VanDerWaalsContact CZ-OE2 3.3Å; Y287-E296 PolarHBondContact OH-OE2 2.8Å; Y287-L367 HydrophobicContact CE1-CD1 3.89Å; Y287-I404 HydrophobicContact CD1-CB 4.31Å; Y287-I404 HydrophobicContact CD1-CG1 4.04Å; Y287-I404 HydrophobicContact CD1-CG2 4Å; Y287-I404 HydrophobicContact CD2-CB 4.2Å; Y287-I404 HydrophobicContact CD2-CD1 3.98Å; Y287-I404 HydrophobicContact CD2-CG1 3.88Å; Y287-I404 HydrophobicContact CE1-CB 4.03Å; Y287-I404 HydrophobicContact CE1-CG1 4.28Å; Y287-I404 HydrophobicContact CE1-CG2 3.54Å; Y287-I404 HydrophobicContact CE2-CB 3.91Å; Y287-I404 HydrophobicContact CE2-CD1 4.4Å; Y287-I404 HydrophobicContact CE2-CG1 4.13Å; Y287-I404 HydrophobicContact CE2-CG2 4.33Å; Y287-I404 HydrophobicContact CG-CB 4.37Å; Y287-I404 HydrophobicContact CG-CD1 4.24Å; Y287-I404 HydrophobicContact CG-CG1 3.81Å
288F98.2Very high96.8Very high0 Ų038.5 Ų38.50%022%0.224CC..Hα-helixtrans-70.7-44.2176.6-79.7-70.3000113.6L284 T285 G291 W293 Y313 A314 I317 L363 L367L284-F288 HydrophobicContact CD1-CD2 4.2Å; L284-F288 HydrophobicContact CD1-CE2 3.72Å; L284-F288 HydrophobicContact CG-CD2 4.2Å; L284-F288 HydrophobicContact CG-CE2 4.09Å; L284-F288 WeakPolarHBondContact O-CD2 3.4Å; L284-F288 PolarHBondContact O-N 3.15Å; L284-F288 VanDerWaalsContact O-N 3.1Å; T285-F288 PolarHBondContact O-N 2.8Å; F288-G291 PolarHBondContact O-N 2.9Å; F288-G291 VanDerWaalsContact O-N 3.15Å; F288-W293 HydrophobicContact CD1-CB 4Å; F288-W293 AromaticContact CD1-CD1 3.67Å; F288-W293 HydrophobicContact CD1-CD2 4.18Å; F288-W293 AromaticContact CD1-CG 3.7Å; F288-W293 HydrophobicContact CD1-CG 3.7Å; F288-W293 HydrophobicContact CE1-CB 3.94Å; F288-W293 HydrophobicContact CE1-CD2 4.29Å; F288-W293 AromaticContact CE1-CG 3.95Å; F288-W293 HydrophobicContact CE1-CG 3.95Å; F288-W293 PolarHBondContact O-NE1 2.62Å; F288-Y313 HydrophobicContact CD1-CD1 4.41Å; F288-Y313 AromaticContact CD2-CD1 3.81Å; F288-Y313 HydrophobicContact CD2-CD1 3.81Å; F288-Y313 AromaticContact CD2-CE1 3.58Å; F288-Y313 HydrophobicContact CD2-CE1 3.58Å; F288-Y313 HydrophobicContact CE1-CD1 4.15Å; F288-Y313 AromaticContact CE2-CD1 3.52Å; F288-Y313 HydrophobicContact CE2-CD1 3.52Å; F288-Y313 AromaticContact CE2-CE1 3.45Å; F288-Y313 HydrophobicContact CE2-CE1 3.45Å; F288-Y313 VanDerWaalsContact CE2-CE1 3.45Å; F288-Y313 HydrophobicContact CG-CD1 4.25Å; F288-Y313 HydrophobicContact CG-CE1 4.34Å; F288-Y313 AromaticContact CZ-CD1 3.7Å; F288-Y313 HydrophobicContact CZ-CD1 3.7Å; F288-Y313 HydrophobicContact CZ-CE1 4.13Å; F288-A314 HydrophobicContact CD1-CB 3.54Å; F288-A314 HydrophobicContact CE1-CB 4.07Å; F288-A314 HydrophobicContact CG-CB 4.46Å; F288-I317 HydrophobicContact CB-CB 4.5Å; F288-I317 HydrophobicContact CB-CG2 4.13Å; F288-L363 HydrophobicContact CZ-CD2 4.05Å; F288-L367 HydrophobicContact CE1-CD1 4.21Å; F288-L367 HydrophobicContact CZ-CD1 3.75Å
289L97.2Very high96.6Very high76 Ų7643.3 Ų43.340%0.39825%0.249SC..Hα-helixtrans-66-36.4178.8-67.5177.9000112.6T285 G291 I317 K318 W321T285-L289 HydrophobicContact CG2-CD1 3.64Å; T285-L289 HydrophobicContact CG2-CG 4.14Å; T285-L289 WeakPolarHBondContact O-CB 3.45Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 2.81Å; L289-G291 PolarHBondContact O-N 2.82Å; L289-I317 HydrophobicContact CD2-CG2 3.93Å; L289-I317 HydrophobicContact CG-CG2 4.02Å; L289-K318 HydrophobicContact CD2-CG 4.2Å; L289-W321 HydrophobicContact CD1-CB 3.81Å; L289-W321 HydrophobicContact CD1-CG 4.12Å; L289-W321 HydrophobicContact CD2-CB 4.16Å
290S96.8Very high96.4Very high69 Ų6953.9 Ų53.948%0.48329%0.289SS..THydrogen-bonded Turntrans-69.6-11.7174.764.60000114.2S286 Y287 K292S286-S290 WeakPolarHBondContact O-CB 3.03Å; S286-S290 PolarHBondContact O-N 3.48Å; S286-S290 PolarHBondContact O-OG 3.43Å; Y287-S290 PolarHBondContact O-OG 3.44Å; S290-K292 PolarHBondContact O-N 2.95Å; S290-K292 WeakPolarHBondContact OG-CG 3.47Å
291G95.6Very high96.1Very high23 Ų2354.2 Ų54.224%0.23729%0.291CS..THydrogen-bonded Turntrans75.42.4-179.500000115.4F288 L289 W293 K294F288-G291 PolarHBondContact O-N 2.9Å; F288-G291 VanDerWaalsContact O-N 3.15Å; L289-G291 PolarHBondContact O-N 2.82Å; G291-W293 PolarHBondContact O-N 2.86Å; G291-K294 WeakPolarHBondContact O-CB 3.22Å; G291-K294 WeakPolarHBondContact O-CG 3.33Å; G291-K294 PolarHBondContact O-N 2.53Å
292K95.4Very high95.7Very high96 Ų9660.1 Ų60.142%0.41733%0.329SS..THydrogen-bonded Turntrans-54.9-33.5179.6-74.2178.8178.5-177.80113Y287 S290 K294 S295 T891Y287-K292 HydrophobicContact CD2-CB 4.05Å; Y287-K292 HydrophobicContact CE2-CB 4.11Å; S290-K292 PolarHBondContact O-N 2.95Å; S290-K292 WeakPolarHBondContact OG-CG 3.47Å; K292-K294 PolarHBondContact O-N 3.39Å; K292-K294 VanDerWaalsContact O-N 3.14Å; K292-S295 PolarHBondContact O-N 2.87Å; K292-S295 PolarHBondContact O-OG 2.84Å; K292-T891 PolarHBondContact NZ-OG1 2.78Å
293W97.1Very high95.3Very high12 Ų1262.7 Ų62.75%0.04534%0.34CS..Hα-helixtrans-53.3-30.8175.770.9-88.8000114.5Y287 F288 G291 S295 E296 L297 T311 A314 L367Y287-W293 HydrophobicContact CD1-CB 4.06Å; Y287-W293 HydrophobicContact CE1-CB 3.33Å; Y287-W293 WeakPolarHBondContact OH-CA 3.34Å; F288-W293 HydrophobicContact CD1-CB 4Å; F288-W293 AromaticContact CD1-CD1 3.67Å; F288-W293 HydrophobicContact CD1-CD2 4.18Å; F288-W293 AromaticContact CD1-CG 3.7Å; F288-W293 HydrophobicContact CD1-CG 3.7Å; F288-W293 HydrophobicContact CE1-CB 3.94Å; F288-W293 HydrophobicContact CE1-CD2 4.29Å; F288-W293 AromaticContact CE1-CG 3.95Å; F288-W293 HydrophobicContact CE1-CG 3.95Å; F288-W293 PolarHBondContact O-NE1 2.62Å; G291-W293 PolarHBondContact O-N 2.86Å; W293-S295 VanDerWaalsContact C-N 3.25Å; W293-S295 PolarHBondContact O-N 2.85Å; W293-E296 PolarHBondContact O-N 3.13Å; W293-L297 HydrophobicContact CE3-CD1 4.19Å; W293-L297 HydrophobicContact CZ3-CD1 4.14Å; W293-L297 HydrophobicContact CZ3-CD2 4.28Å; W293-L297 PolarHBondContact O-N 3.37Å; W293-T311 HydrophobicContact CH2-CG2 4.28Å; W293-A314 HydrophobicContact CD2-CB 4.07Å; W293-A314 HydrophobicContact CH2-CB 3.91Å; W293-A314 HydrophobicContact CZ2-CB 3.31Å; W293-A314 HydrophobicContact CZ3-CB 4.5Å; W293-L367 HydrophobicContact CB-CD2 4.03Å
294K96.9Very high94.9Very high138 Ų13861.6 Ų61.660%0.633%0.333SS*.Hα-helixtrans-62.5-31-177.4-65.7-179.1176.8-177.60113.2G291 K292G291-K294 WeakPolarHBondContact O-CB 3.22Å; G291-K294 WeakPolarHBondContact O-CG 3.33Å; G291-K294 PolarHBondContact O-N 2.53Å; K292-K294 PolarHBondContact O-N 3.39Å; K292-K294 VanDerWaalsContact O-N 3.14Å
295S95.4Very high94.6Very high108 Ų10862 Ų6276%0.75534%0.335SS*.Hα-helixtrans-85.2-14.7176.741.60000114K292 W293K292-S295 PolarHBondContact O-N 2.87Å; K292-S295 PolarHBondContact O-OG 2.84Å; W293-S295 VanDerWaalsContact C-N 3.25Å; W293-S295 PolarHBondContact O-N 2.85Å
296E95.8Very high94.4Very high50 Ų5067.7 Ų67.723%0.23436%0.362CS..Hα-helixtrans-100-0.5178.1-58.2-165.3140.500112.7Y287 W293 N298 R369Y287-E296 VanDerWaalsContact CE2-OE2 3.27Å; Y287-E296 WeakPolarHBondContact CE2-OE2 3.37Å; Y287-E296 VanDerWaalsContact CZ-OE2 3.3Å; Y287-E296 PolarHBondContact OH-OE2 2.8Å; W293-E296 PolarHBondContact O-N 3.13Å; E296-N298 PolarHBondContact O-N 2.99Å; E296-R369 IonicContact OE1-CZ 3.69Å; E296-R369 IonicContact OE1-NE 2.78Å; E296-R369 PolarHBondContact OE1-NE 3.2Å; E296-R369 IonicContact OE1-NH2 3.36Å; E296-R369 PolarHBondContact OE1-NH2 3.28Å; E296-R369 IonicContact OE2-CZ 2.93Å; E296-R369 IonicContact OE2-NE 3.67Å; E296-R369 IonicContact OE2-NH2 3.06Å; E296-R369 PolarHBondContact OE2-NH2 2.8Å
297L96.1Very high94.2Very high40 Ų4064.3 Ų64.321%0.20934%0.338CS..  trans-67.5109.4-175.4-164.872.1000112.6W293 I299 A310 D366 L367W293-L297 HydrophobicContact CE3-CD1 4.19Å; W293-L297 HydrophobicContact CZ3-CD1 4.14Å; W293-L297 HydrophobicContact CZ3-CD2 4.28Å; W293-L297 PolarHBondContact O-N 3.37Å; L297-I299 HydrophobicContact CD2-CD1 4.18Å; L297-I299 HydrophobicContact CD2-CG1 3.99Å; L297-I299 HydrophobicContact CG-CG1 4.08Å; L297-I299 PolarHBondContact O-N 2.81Å; L297-A310 HydrophobicContact CD1-CB 3.81Å; L297-D366 CarbonylContact C-O 2.9Å; L297-D366 WeakPolarHBondContact CA-O 3.04Å; L297-L367 HydrophobicContact CD1-CD2 4.11Å
298N94.5Very high94.1Very high2 Ų267.1 Ų67.11%0.01135%0.349CS..  trans-9670.6-175.8-168.60.5000112.3E296 R300 N301 D366 N368 I370 H371E296-N298 PolarHBondContact O-N 2.99Å; N298-R300 PolarHBondContact O-N 3.26Å; N298-N301 HydrophobicContact CB-CB 4.33Å; N298-N301 WeakPolarHBondContact O-CB 3.48Å; N298-N301 PolarHBondContact O-N 3.5Å; N298-N301 PolarHBondContact OD1-N 2.88Å; N298-D366 PolarHBondContact N-O 2.89Å; N298-N368 VanDerWaalsContact CB-O 3.31Å; N298-N368 WeakPolarHBondContact CB-O 3.37Å; N298-N368 PolarHBondContact ND2-O 2.78Å; N298-I370 PolarHBondContact ND2-O 2.73Å; N298-H371 VanDerWaalsContact CG-ND1 3.27Å; N298-H371 PolarHBondContact ND2-ND1 2.75Å; N298-H371 PolarHBondContact OD1-ND1 2.87Å
299I93.6Very high93.9Very high102 Ų10267.3 Ų67.352%0.52335%0.35SS..THydrogen-bonded Turntrans-54.9-20.7179.6-55.5173.9000113.1L297 Q306L297-I299 HydrophobicContact CD2-CD1 4.18Å; L297-I299 HydrophobicContact CD2-CG1 3.99Å; L297-I299 HydrophobicContact CG-CG1 4.08Å; L297-I299 PolarHBondContact O-N 2.81Å; I299-Q306 HydrophobicContact CG2-CB 4.18Å
300R92.2Very high93.9Very high223 Ų22363.7 Ų63.784%0.84233%0.331SS*.THydrogen-bonded Turntrans-95.9-3.8-177.2-63.7-175.8-179.6-178.90.9114.5N298 P302N298-R300 PolarHBondContact O-N 3.26Å; R300-P302 WeakPolarHBondContact O-CD 3.33Å
301N91.5Very high93.9Very high9 Ų962.8 Ų62.85%0.04832%0.323CS..  trans-65.8119.6179.4-172.8-2.5000110.2N298 L303 G304 E365N298-N301 HydrophobicContact CB-CB 4.33Å; N298-N301 WeakPolarHBondContact O-CB 3.48Å; N298-N301 PolarHBondContact O-N 3.5Å; N298-N301 PolarHBondContact OD1-N 2.88Å; N301-L303 PolarHBondContact O-N 3.11Å; N301-L303 PolarHBondContact OD1-N 2.65Å; N301-L303 VanDerWaalsContact OD1-N 3.13Å; N301-G304 PolarHBondContact O-N 3.45Å; N301-E365 PolarHBondContact ND2-O 3.03Å; N301-E365 PolarHBondContact ND2-OE2 3.2Å
302P89.1Confident94Very high123 Ų12362.5 Ų62.580%0.79932%0.318SS*.THydrogen-bonded Turntrans-67.4-13.4179.328.6-36.5000113.8R300R300-P302 WeakPolarHBondContact O-CD 3.33Å
303L88.2Confident94.1Very high105 Ų10558 Ų5855%0.5530%0.298SS..THydrogen-bonded Turntrans-97.1-9.8174.2-58.8175.5000112.7N301 E365 K373N301-L303 PolarHBondContact O-N 3.11Å; N301-L303 PolarHBondContact OD1-N 2.65Å; N301-L303 VanDerWaalsContact OD1-N 3.13Å; L303-E365 HydrophobicContact CB-CG 4.08Å; L303-E365 WeakPolarHBondContact CB-OE1 3.47Å; L303-E365 WeakPolarHBondContact CD1-OE1 3.23Å; L303-K373 HydrophobicContact CD1-CD 4.2Å
304G89.3Confident94.1Very high22 Ų2257.4 Ų57.423%0.22730%0.296CS..SBendtrans-90175.7179.800000113.4N301 Q306N301-G304 PolarHBondContact O-N 3.45Å; G304-Q306 VanDerWaalsContact C-N 3.28Å; G304-Q306 PolarHBondContact O-N 2.85Å
305S91.6Very high94.1Very high7 Ų754.2 Ų54.25%0.04929%0.285CS..  trans-89.514.4179.381.60000113.9G307 R308 I309 I340 D366S305-G307 PolarHBondContact O-N 2.88Å; S305-R308 PolarHBondContact O-NH1 3.32Å; S305-R308 PolarHBondContact O-NH2 3.46Å; S305-R308 PolarHBondContact OG-N 3.19Å; S305-I309 PolarHBondContact OG-N 3.31Å; S305-I340 VanDerWaalsContact CB-CD1 3.44Å; S305-D366 WeakPolarHBondContact CA-OD1 3.03Å; S305-D366 WeakPolarHBondContact CB-OD1 3.35Å; S305-D366 PolarHBondContact N-OD1 3.14Å; S305-D366 PolarHBondContact OG-OD1 3.13Å; S305-D366 PolarHBondContact OG-OD2 2.87Å
306Q92.6Very high94.2Very high125 Ų12549.3 Ų49.358%0.58425%0.251SS*.THydrogen-bonded Turntrans62.425.6-164.1-53.6169.7-27.800112.9I299 G304I299-Q306 HydrophobicContact CG2-CB 4.18Å; G304-Q306 VanDerWaalsContact C-N 3.28Å; G304-Q306 PolarHBondContact O-N 2.85Å
307G93.4Very high94.3Very high2 Ų247 Ų472%0.02124%0.24CC..THydrogen-bonded Turntrans85.76.2179.600000115.4S305 T311 D366S305-G307 PolarHBondContact O-N 2.88Å; G307-T311 VanDerWaalsContact O-CB 3.3Å; G307-T311 WeakPolarHBondContact O-CB 3.41Å; G307-T311 PolarHBondContact O-N 3.5Å; G307-T311 PolarHBondContact O-OG1 2.89Å; G307-D366 WeakPolarHBondContact CA-OD1 3.36Å; G307-D366 VanDerWaalsContact CA-OD2 3.26Å; G307-D366 WeakPolarHBondContact CA-OD2 3.2Å; G307-D366 PolarHBondContact N-OD1 2.93Å
308R94.9Very high94.3Very high78 Ų7848.8 Ų48.829%0.29425%0.246SC..Hα-helixtrans-73.2-44.9-175.8-67.1-166.9-56.3-82.7-9.6113S305 T311 A312 E336 D366S305-R308 PolarHBondContact O-NH1 3.32Å; S305-R308 PolarHBondContact O-NH2 3.46Å; S305-R308 PolarHBondContact OG-N 3.19Å; R308-T311 PolarHBondContact O-N 2.93Å; R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.43Å; R308-E336 HydrophobicContact CB-CG 4.18Å; R308-E336 VanDerWaalsContact CD-OE2 3.26Å; R308-E336 WeakPolarHBondContact CD-OE2 3.29Å; R308-E336 IonicContact NE-OE2 3.57Å; R308-E336 PolarHBondContact NE-OE2 2.88Å; R308-D366 PolarHBondContact N-OD2 2.81Å
309I95Very high94.3Very high3 Ų351.5 Ų51.52%0.01526%0.259CS..Hα-helixtrans-60.2-50.1175.3-63.4175.6000109.3S305 T311 A312 Y313 I337 I340 L359 L363 D366S305-I309 PolarHBondContact OG-N 3.31Å; I309-T311 VanDerWaalsContact C-N 3.3Å; I309-T311 PolarHBondContact O-N 3.16Å; I309-A312 PolarHBondContact O-N 3.31Å; I309-Y313 VanDerWaalsContact O-CB 3.25Å; I309-Y313 WeakPolarHBondContact O-CB 3.45Å; I309-Y313 PolarHBondContact O-N 3.19Å; I309-I337 HydrophobicContact CD1-CD1 4.45Å; I309-I337 HydrophobicContact CG2-CD1 4.48Å; I309-I340 HydrophobicContact CD1-CD1 3.63Å; I309-I340 HydrophobicContact CG1-CD1 3.81Å; I309-L359 HydrophobicContact CG2-CD1 4.05Å; I309-L363 HydrophobicContact CG2-CD2 3.97Å; I309-L363 HydrophobicContact CG2-CG 4.32Å; I309-D366 PolarHBondContact N-OD2 3.23Å
310A97Very high94.4Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-61.4-36.8179.600000112.8L297 A314 L363 D366 L367L297-A310 HydrophobicContact CD1-CB 3.81Å; A310-A314 WeakPolarHBondContact O-CB 3.49Å; A310-A314 PolarHBondContact O-N 3.35Å; A310-L363 HydrophobicContact CB-CD2 4.1Å; A310-D366 HydrophobicContact CB-CB 3.63Å; A310-D366 PolarHBondContact N-OD2 2.93Å; A310-L367 HydrophobicContact CB-CD2 4.16Å; A310-L367 HydrophobicContact CB-CG 4.18Å
311T97.2Very high94.6Very high51 Ų5137.3 Ų37.331%0.31320%0.199SC..Hα-helixtrans-68.7-50.4175.8-58.80000111.7W293 G307 R308 I309 Y313 A314 D315W293-T311 HydrophobicContact CH2-CG2 4.28Å; G307-T311 VanDerWaalsContact O-CB 3.3Å; G307-T311 WeakPolarHBondContact O-CB 3.41Å; G307-T311 PolarHBondContact O-N 3.5Å; G307-T311 PolarHBondContact O-OG1 2.89Å; R308-T311 PolarHBondContact O-N 2.93Å; I309-T311 VanDerWaalsContact C-N 3.3Å; I309-T311 PolarHBondContact O-N 3.16Å; T311-Y313 VanDerWaalsContact C-N 3.34Å; T311-Y313 PolarHBondContact O-N 2.78Å; T311-A314 PolarHBondContact O-N 3.1Å; T311-D315 PolarHBondContact O-N 2.83Å
312A96.5Very high94.6Very high16 Ų1639 Ų3913%0.13221%0.212CC..Hα-helixtrans-61.6-41179.400000112R308 I309 L316 F333 E336R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.43Å; I309-A312 PolarHBondContact O-N 3.31Å; A312-L316 WeakPolarHBondContact O-CB 3.37Å; A312-L316 PolarHBondContact O-N 2.87Å; A312-F333 HydrophobicContact CB-CD2 4.22Å; A312-E336 HydrophobicContact CB-CG 4.29Å
313Y97.6Very high94.6Very high1 Ų134.3 Ų34.30%0.00419%0.185CC..Hα-helixtrans-64.5-45.8174-173.9-98.2000111.8L275 M278 L284 F288 I309 T311 D315 L316 I317 F333 L359 L363L275-Y313 HydrophobicContact CD2-CD2 4.03Å; L275-Y313 HydrophobicContact CD2-CE2 3.9Å; M278-Y313 WeakPolarHBondContact CB-OH 3.31Å; L284-Y313 HydrophobicContact CD2-CE1 4.43Å; F288-Y313 HydrophobicContact CD1-CD1 4.41Å; F288-Y313 AromaticContact CD2-CD1 3.81Å; F288-Y313 HydrophobicContact CD2-CD1 3.81Å; F288-Y313 AromaticContact CD2-CE1 3.58Å; F288-Y313 HydrophobicContact CD2-CE1 3.58Å; F288-Y313 HydrophobicContact CE1-CD1 4.15Å; F288-Y313 AromaticContact CE2-CD1 3.52Å; F288-Y313 HydrophobicContact CE2-CD1 3.52Å; F288-Y313 AromaticContact CE2-CE1 3.45Å; F288-Y313 HydrophobicContact CE2-CE1 3.45Å; F288-Y313 VanDerWaalsContact CE2-CE1 3.45Å; F288-Y313 HydrophobicContact CG-CD1 4.25Å; F288-Y313 HydrophobicContact CG-CE1 4.34Å; F288-Y313 AromaticContact CZ-CD1 3.7Å; F288-Y313 HydrophobicContact CZ-CD1 3.7Å; F288-Y313 HydrophobicContact CZ-CE1 4.13Å; I309-Y313 VanDerWaalsContact O-CB 3.25Å; I309-Y313 WeakPolarHBondContact O-CB 3.45Å; I309-Y313 PolarHBondContact O-N 3.19Å; T311-Y313 VanDerWaalsContact C-N 3.34Å; T311-Y313 PolarHBondContact O-N 2.78Å; Y313-D315 VanDerWaalsContact C-N 3.31Å; Y313-D315 PolarHBondContact O-N 2.82Å; Y313-L316 PolarHBondContact O-N 2.79Å; Y313-I317 HydrophobicContact CD1-CG1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 4.07Å; Y313-I317 HydrophobicContact CE1-CG1 3.54Å; Y313-I317 HydrophobicContact CE2-CD1 4.33Å; Y313-I317 HydrophobicContact CE2-CG1 4.3Å; Y313-I317 HydrophobicContact CG-CG1 4.47Å; Y313-I317 WeakPolarHBondContact O-CG1 3.4Å; Y313-I317 PolarHBondContact O-N 2.94Å; Y313-F333 HydrophobicContact CD2-CE2 4.07Å; Y313-L359 HydrophobicContact CD2-CD1 4.19Å; Y313-L359 HydrophobicContact CD2-CD2 4.37Å; Y313-L359 HydrophobicContact CE2-CD2 4.09Å; Y313-L363 HydrophobicContact CD1-CD1 4Å; Y313-L363 HydrophobicContact CD1-CD2 4.17Å; Y313-L363 HydrophobicContact CD2-CD1 4.43Å; Y313-L363 HydrophobicContact CE1-CD1 4.11Å; Y313-L363 HydrophobicContact CG-CD1 4.16Å; Y313-L363 HydrophobicContact CG-CD2 4.13Å
314A97.7Very high94.4Very high0 Ų034.4 Ų34.40%019%0.19CC..Hα-helixtrans-61.1-38.7178.100000112.8F288 W293 A310 T311 K318F288-A314 HydrophobicContact CD1-CB 3.54Å; F288-A314 HydrophobicContact CE1-CB 4.07Å; F288-A314 HydrophobicContact CG-CB 4.46Å; W293-A314 HydrophobicContact CD2-CB 4.07Å; W293-A314 HydrophobicContact CH2-CB 3.91Å; W293-A314 HydrophobicContact CZ2-CB 3.31Å; W293-A314 HydrophobicContact CZ3-CB 4.5Å; A310-A314 WeakPolarHBondContact O-CB 3.49Å; A310-A314 PolarHBondContact O-N 3.35Å; T311-A314 PolarHBondContact O-N 3.1Å; A314-K318 WeakPolarHBondContact O-CE 3.18Å; A314-K318 WeakPolarHBondContact O-CG 3.14Å; A314-K318 PolarHBondContact O-N 2.86Å; A314-K318 VanDerWaalsContact O-N 3.16Å
315D96.9Very high94.2Very high71 Ų7137.5 Ų37.538%0.3820%0.195SC..Hα-helixtrans-72.6-36.1175.9-74-26.9000111.9T311 Y313 K318 Q319T311-D315 PolarHBondContact O-N 2.83Å; Y313-D315 VanDerWaalsContact C-N 3.31Å; Y313-D315 PolarHBondContact O-N 2.82Å; D315-K318 PolarHBondContact O-N 2.84Å; D315-K318 IonicContact OD1-NZ 2.77Å; D315-K318 PolarHBondContact OD1-NZ 3.2Å; D315-Q319 VanDerWaalsContact O-CG 3.27Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.27Å; D315-Q319 VanDerWaalsContact O-N 3.17Å; D315-Q319 PolarHBondContact O-NE2 3.14Å
316L96.9Very high93.4Very high6 Ų639.5 Ų39.53%0.03121%0.212CC..Hα-helixtrans-64.7-43.7172-17360.9000112.2L262 L275 A312 Y313 K318 Q319 L320 A328 P330 F333L262-L316 HydrophobicContact CD2-CD1 3.97Å; L262-L316 HydrophobicContact CD2-CD2 4.4Å; L275-L316 HydrophobicContact CD1-CD2 3.79Å; L275-L316 HydrophobicContact CD2-CD2 4.05Å; L275-L316 HydrophobicContact CG-CD2 4.46Å; A312-L316 WeakPolarHBondContact O-CB 3.37Å; A312-L316 PolarHBondContact O-N 2.87Å; Y313-L316 PolarHBondContact O-N 2.79Å; L316-K318 VanDerWaalsContact C-N 3.33Å; L316-K318 PolarHBondContact O-N 3.32Å; L316-Q319 WeakPolarHBondContact O-CA 3.14Å; L316-Q319 WeakPolarHBondContact O-CB 3.44Å; L316-Q319 PolarHBondContact O-N 3.39Å; L316-L320 HydrophobicContact CG-CD1 4.32Å; L316-L320 HydrophobicContact CG-CG 4.45Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.97Å; L316-A328 HydrophobicContact CD1-CB 4.24Å; L316-P330 HydrophobicContact CD1-CB 4.38Å; L316-P330 HydrophobicContact CD2-CB 4.1Å; L316-F333 HydrophobicContact CD2-CB 4.42Å; L316-F333 HydrophobicContact CD2-CG 4.44Å
317I97.7Very high93Very high2 Ų236.6 Ų36.61%0.0120%0.196CC..Hα-helixtrans-60.5-40.8176.6-70.2-64.5000111.7T285 F288 L289 Y313 Q319 L320 W321T285-I317 HydrophobicContact CG2-CG2 4.06Å; F288-I317 HydrophobicContact CB-CB 4.5Å; F288-I317 HydrophobicContact CB-CG2 4.13Å; L289-I317 HydrophobicContact CD2-CG2 3.93Å; L289-I317 HydrophobicContact CG-CG2 4.02Å; Y313-I317 HydrophobicContact CD1-CG1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 4.07Å; Y313-I317 HydrophobicContact CE1-CG1 3.54Å; Y313-I317 HydrophobicContact CE2-CD1 4.33Å; Y313-I317 HydrophobicContact CE2-CG1 4.3Å; Y313-I317 HydrophobicContact CG-CG1 4.47Å; Y313-I317 WeakPolarHBondContact O-CG1 3.4Å; Y313-I317 PolarHBondContact O-N 2.94Å; I317-Q319 VanDerWaalsContact C-N 3.27Å; I317-Q319 PolarHBondContact O-N 3.32Å; I317-L320 PolarHBondContact O-N 2.97Å; I317-W321 WeakPolarHBondContact O-CB 3.27Å; I317-W321 PolarHBondContact O-N 3.49Å
318K96.6Very high92.5Very high77 Ų7736.6 Ų36.634%0.33520%0.196SC..Hα-helixtrans-60.5-36.5172-69.7167.8-150.3154.60112.4L289 A314 D315 L316 S322L289-K318 HydrophobicContact CD2-CG 4.2Å; A314-K318 WeakPolarHBondContact O-CE 3.18Å; A314-K318 WeakPolarHBondContact O-CG 3.14Å; A314-K318 PolarHBondContact O-N 2.86Å; A314-K318 VanDerWaalsContact O-N 3.16Å; D315-K318 PolarHBondContact O-N 2.84Å; D315-K318 IonicContact OD1-NZ 2.77Å; D315-K318 PolarHBondContact OD1-NZ 3.2Å; L316-K318 VanDerWaalsContact C-N 3.33Å; L316-K318 PolarHBondContact O-N 3.32Å; K318-S322 VanDerWaalsContact O-CB 3.28Å; K318-S322 WeakPolarHBondContact O-CB 3.44Å; K318-S322 PolarHBondContact O-N 2.95Å; K318-S322 VanDerWaalsContact O-N 3.1Å
319Q94.3Very high92.4Very high59 Ų5935.9 Ų35.928%0.27620%0.2SC..Hα-helixtrans-69-46.8178.2-67.8176.576.700111.3D315 L316 I317 W321 S322 A328D315-Q319 VanDerWaalsContact O-CG 3.27Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.27Å; D315-Q319 VanDerWaalsContact O-N 3.17Å; D315-Q319 PolarHBondContact O-NE2 3.14Å; L316-Q319 WeakPolarHBondContact O-CA 3.14Å; L316-Q319 WeakPolarHBondContact O-CB 3.44Å; L316-Q319 PolarHBondContact O-N 3.39Å; I317-Q319 VanDerWaalsContact C-N 3.27Å; I317-Q319 PolarHBondContact O-N 3.32Å; Q319-W321 PolarHBondContact O-N 3Å; Q319-S322 WeakPolarHBondContact O-CB 3.35Å; Q319-S322 PolarHBondContact O-N 3.34Å; Q319-S322 PolarHBondContact O-OG 2.81Å; Q319-A328 HydrophobicContact CB-CB 4.33Å
320L95.4Very high92.1Very high2 Ų235.9 Ų35.91%0.0120%0.2CC..Hα-helixtrans-64-39.1178.6-65.2178.8000112.8G258 C260 L262 L316 I317 A328G258-L320 PolarHBondContact N-O 3.31Å; G258-L320 VanDerWaalsContact N-O 3.09Å; C260-L320 HydrophobicContact CB-CB 4.41Å; C260-L320 HydrophobicContact CB-CD2 3.84Å; C260-L320 WeakPolarHBondContact CB-O 3.37Å; L262-L320 HydrophobicContact CD2-CD2 3.87Å; L262-L320 HydrophobicContact CG-CD2 4.21Å; L316-L320 HydrophobicContact CG-CD1 4.32Å; L316-L320 HydrophobicContact CG-CG 4.45Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.97Å; I317-L320 PolarHBondContact O-N 2.97Å; L320-A328 HydrophobicContact CD2-CB 4.19Å
321W96.5Very high91.8Very high24 Ų2442.3 Ų42.39%0.09122%0.224CC..THydrogen-bonded Turntrans-97.815.7-178.8-64.479.6000113.8P257 S279 T285 L289 I317 Q319 H818P257-W321 HydrophobicContact CB-CE3 4.3Å; S279-W321 WeakPolarHBondContact O-CZ2 3.48Å; S279-W321 PolarHBondContact O-NE1 2.98Å; S279-W321 PolarHBondContact OG-NE1 3.34Å; T285-W321 HydrophobicContact CG2-CD2 3.8Å; T285-W321 HydrophobicContact CG2-CE3 4.44Å; T285-W321 HydrophobicContact CG2-CG 3.96Å; T285-W321 HydrophobicContact CG2-CZ2 4.21Å; L289-W321 HydrophobicContact CD1-CB 3.81Å; L289-W321 HydrophobicContact CD1-CG 4.12Å; L289-W321 HydrophobicContact CD2-CB 4.16Å; I317-W321 WeakPolarHBondContact O-CB 3.27Å; I317-W321 PolarHBondContact O-N 3.49Å; Q319-W321 PolarHBondContact O-N 3Å; W321-H818 AromaticContact CE3-CE1 3.66Å; W321-H818 AromaticContact CE3-ND1 3.78Å; W321-H818 AromaticContact CZ3-CE1 3.57Å; W321-H818 AromaticContact CZ3-ND1 3.4Å; W321-H818 WeakPolarHBondContact CZ3-ND1 3.19Å
322S92.9Very high91.4Very high46 Ų4645.7 Ų45.732%0.32224%0.236SC..SBendtrans-73.1-29.6176.7600000114K318 Q319 T324K318-S322 VanDerWaalsContact O-CB 3.28Å; K318-S322 WeakPolarHBondContact O-CB 3.44Å; K318-S322 PolarHBondContact O-N 2.95Å; K318-S322 VanDerWaalsContact O-N 3.1Å; Q319-S322 WeakPolarHBondContact O-CB 3.35Å; Q319-S322 PolarHBondContact O-N 3.34Å; Q319-S322 PolarHBondContact O-OG 2.81Å; S322-T324 PolarHBondContact O-N 3.15Å; S322-T324 PolarHBondContact OG-N 2.74Å; S322-T324 PolarHBondContact OG-OG1 2.68Å
323G88.3Confident91.2Very high23 Ų2345.1 Ų45.124%0.23723%0.231CC..SBendtrans67.215.2-170.900000114.5
324T84.8Confident90.7Very high108 Ų10846.3 Ų46.366%0.66324%0.236SC*.SBendtrans-110.8-3.5-176.8620000114.9S322S322-T324 PolarHBondContact O-N 3.15Å; S322-T324 PolarHBondContact OG-N 2.74Å; S322-T324 PolarHBondContact OG-OG1 2.68Å
325R85.3Confident90.3Very high86 Ų8649.2 Ų49.233%0.32525%0.251SS..  trans-143.6147.5-175.667.9-174.975.2-163.73.8110.9Y327R325-Y327 WeakPolarHBondContact CD-O 3.38Å; R325-Y327 WeakPolarHBondContact CG-O 3.3Å
326A74.8Confident89.9Confident49 Ų4947 Ų4741%0.40524%0.239SC..SBendtrans-79.6-27.4175.900000112.6L255 C260 G261L255-A326 HydrophobicContact CD2-CB 4.38Å; C260-A326 CarbonylContact C-O 3.44Å; C260-A326 WeakPolarHBondContact CA-O 3.45Å; G261-A326 PolarHBondContact N-O 3.32Å
327Y82.8Confident89.5Confident65 Ų6546.9 Ų46.926%0.25524%0.238SC..EExtended strand (participates in β ladder)trans-147.1165.5176.463-98.3000111.4Q186 C260 G261 N263 R325 V329Q186-Y327 PolarHBondContact NE2-OH 3.01Å; C260-Y327 VanDerWaalsContact SG-C 3.51Å; C260-Y327 VanDerWaalsContact SG-CA 3.53Å; G261-Y327 CarbonylContact O-C 3.55Å; G261-Y327 VanDerWaalsContact O-CA 3.26Å; G261-Y327 WeakPolarHBondContact O-CA 3.41Å; N263-Y327 WeakPolarHBondContact OD1-CD2 3.37Å; N263-Y327 VanDerWaalsContact OD1-CE2 3.23Å; N263-Y327 WeakPolarHBondContact OD1-CE2 3.2Å; R325-Y327 WeakPolarHBondContact CD-O 3.38Å; R325-Y327 WeakPolarHBondContact CG-O 3.3Å; Y327-V329 HydrophobicContact CE2-CG2 4.35Å
328A84.7Confident88.9Confident2 Ų247.9 Ų47.92%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-126.6159.7170.700000111.1G261 L262 N263 L316 Q319 L320G261-A328 PolarHBondContact O-N 3.2Å; L262-A328 VanDerWaalsContact CA-O 3.32Å; L262-A328 WeakPolarHBondContact CA-O 3.26Å; L262-A328 HydrophobicContact CD2-CB 4.21Å; N263-A328 PolarHBondContact N-O 3.12Å; L316-A328 HydrophobicContact CD1-CB 4.24Å; Q319-A328 HydrophobicContact CB-CB 4.33Å; L320-A328 HydrophobicContact CD2-CB 4.19Å
329V90.8Very high88.2Confident63 Ų6351.2 Ų51.238%0.38226%0.257SS..  trans-110.5107.2179-1740000108.5N263 L265 Y327 R331N263-V329 HydrophobicContact CB-CG2 4.41Å; L265-V329 HydrophobicContact CD2-CG1 3.84Å; Y327-V329 HydrophobicContact CE2-CG2 4.35Å; V329-R331 HydrophobicContact CG1-CB 4.36Å; V329-R331 PolarHBondContact O-N 3.27Å
330P89.9Confident87.4Confident2 Ų251.8 Ų51.81%0.01326%0.261CS..  trans-7937.1-171.332-35.7000114.1L262 L265 M271 L275 L316 F333 K334L262-P330 HydrophobicContact CD2-CB 4.18Å; L262-P330 HydrophobicContact CD2-CG 4.14Å; L265-P330 HydrophobicContact CD1-CG 4.1Å; M271-P330 HydrophobicContact CE-CB 4.15Å; M271-P330 HydrophobicContact CE-CG 3.77Å; L275-P330 HydrophobicContact CD1-CB 4.43Å; L316-P330 HydrophobicContact CD1-CB 4.38Å; L316-P330 HydrophobicContact CD2-CB 4.1Å; P330-F333 PolarHBondContact O-N 2.95Å; P330-K334 PolarHBondContact O-N 2.96Å
331R89.4Confident86.6Confident136 Ų13652 Ų5251%0.51326%0.263SS..Hα-helixtrans-60.6-52.4-172.2-169.5-177.1-66.9-95.17112.7L265 V329 F333 K334 I335L265-R331 HydrophobicContact CD1-CB 4.35Å; V329-R331 HydrophobicContact CG1-CB 4.36Å; V329-R331 PolarHBondContact O-N 3.27Å; R331-F333 VanDerWaalsContact C-N 3.27Å; R331-F333 PolarHBondContact O-N 2.91Å; R331-K334 PolarHBondContact O-N 3.42Å; R331-I335 HydrophobicContact CG-CD1 4.16Å; R331-I335 WeakPolarHBondContact O-CG1 3.49Å; R331-I335 PolarHBondContact O-N 2.94Å
332E89.8Confident85.5Confident121 Ų12160.7 Ų60.757%0.56530%0.296SS*.Hα-helixtrans-60.1-38.5178.3-62.2-52.3114.600112.3I335 E336E332-I335 PolarHBondContact O-N 3.48Å; E332-E336 PolarHBondContact O-N 3Å; E332-E336 VanDerWaalsContact O-N 3.09Å
333F91.7Very high84.6Confident5 Ų563.2 Ų63.22%0.02230%0.303CS..Hα-helixtrans-67.4-44.6177.3-177.9-93.3000111.7M271 L275 A312 Y313 L316 P330 R331 I335 E336 I337 L359M271-F333 HydrophobicContact CG-CD1 4.42Å; M271-F333 HydrophobicContact CG-CE1 4.19Å; M271-F333 HydrophobicContact SD-CD1 3.82Å; M271-F333 HydrophobicContact SD-CE1 4.03Å; L275-F333 HydrophobicContact CD1-CD1 3.9Å; L275-F333 HydrophobicContact CD1-CE1 3.9Å; L275-F333 HydrophobicContact CD2-CD1 4.28Å; L275-F333 HydrophobicContact CD2-CE1 3.74Å; L275-F333 HydrophobicContact CD2-CE2 4.33Å; L275-F333 HydrophobicContact CD2-CZ 3.76Å; L275-F333 HydrophobicContact CG-CE1 4.15Å; A312-F333 HydrophobicContact CB-CD2 4.22Å; Y313-F333 HydrophobicContact CD2-CE2 4.07Å; L316-F333 HydrophobicContact CD2-CB 4.42Å; L316-F333 HydrophobicContact CD2-CG 4.44Å; P330-F333 PolarHBondContact O-N 2.95Å; R331-F333 VanDerWaalsContact C-N 3.27Å; R331-F333 PolarHBondContact O-N 2.91Å; F333-I335 VanDerWaalsContact C-N 3.27Å; F333-I335 PolarHBondContact O-N 2.81Å; F333-E336 PolarHBondContact O-N 3.31Å; F333-I337 HydrophobicContact CD1-CG1 4.09Å; F333-I337 HydrophobicContact CE1-CD1 4.16Å; F333-I337 HydrophobicContact CE1-CG1 3.63Å; F333-I337 HydrophobicContact CE2-CD1 4.22Å; F333-I337 HydrophobicContact CE2-CG1 4.23Å; F333-I337 HydrophobicContact CZ-CD1 3.75Å; F333-I337 HydrophobicContact CZ-CG1 3.71Å; F333-I337 WeakPolarHBondContact O-CG1 3.49Å; F333-I337 PolarHBondContact O-N 3.48Å; F333-I337 VanDerWaalsContact O-N 3.08Å; F333-L359 HydrophobicContact CE2-CD1 3.84Å; F333-L359 HydrophobicContact CZ-CD1 3.6Å; F333-L359 HydrophobicContact CZ-CD2 4.27Å
334K88.2Confident84Confident26 Ų2662.5 Ų62.511%0.11329%0.293CS..Hα-helixtrans-54.9-43.8172.6-177.6173.9-178.61660111L265 T268 M271 P330 R331 A338 Y347L265-K334 HydrophobicContact CB-CD 3.98Å; L265-K334 HydrophobicContact CD1-CB 4.23Å; L265-K334 HydrophobicContact CD1-CD 4.03Å; L265-K334 PolarHBondContact O-NZ 3.18Å; T268-K334 HydrophobicContact CG2-CD 4.01Å; M271-K334 HydrophobicContact CE-CB 4.03Å; M271-K334 HydrophobicContact SD-CB 4.22Å; P330-K334 PolarHBondContact O-N 2.96Å; R331-K334 PolarHBondContact O-N 3.42Å; K334-A338 WeakPolarHBondContact O-CB 3.17Å; K334-A338 PolarHBondContact O-N 3.01Å; K334-Y347 VanDerWaalsContact NZ-CE1 3.31Å
335I88.5Confident82.9Confident61 Ų6160.3 Ų60.331%0.31328%0.282SS..Hα-helixtrans-62.3-47179.7-68.6165.4000111.9R331 E332 F333 A338 R339R331-I335 HydrophobicContact CG-CD1 4.16Å; R331-I335 WeakPolarHBondContact O-CG1 3.49Å; R331-I335 PolarHBondContact O-N 2.94Å; E332-I335 PolarHBondContact O-N 3.48Å; F333-I335 VanDerWaalsContact C-N 3.27Å; F333-I335 PolarHBondContact O-N 2.81Å; I335-A338 PolarHBondContact O-N 3Å; I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.93Å; I335-R339 VanDerWaalsContact O-N 3.16Å
336E89.9Confident81.5Confident24 Ų2457.7 Ų57.711%0.11228%0.281CS..Hα-helixtrans-69.4-36.4-179.3-65-59.6168.100113.1R308 A312 E332 F333 R339 I340R308-E336 HydrophobicContact CB-CG 4.18Å; R308-E336 VanDerWaalsContact CD-OE2 3.26Å; R308-E336 WeakPolarHBondContact CD-OE2 3.29Å; R308-E336 IonicContact NE-OE2 3.57Å; R308-E336 PolarHBondContact NE-OE2 2.88Å; A312-E336 HydrophobicContact CB-CG 4.29Å; E332-E336 PolarHBondContact O-N 3Å; E332-E336 VanDerWaalsContact O-N 3.09Å; F333-E336 PolarHBondContact O-N 3.31Å; E336-R339 IonicContact OE1-CZ 2.86Å; E336-R339 IonicContact OE1-NH1 2.73Å; E336-R339 PolarHBondContact OE1-NH1 3.37Å; E336-R339 WeakPolarHBondContact OE2-CD 3.32Å; E336-R339 IonicContact OE2-CZ 2.93Å; E336-R339 IonicContact OE2-NH1 3.5Å; E336-R339 PolarHBondContact OE2-NH1 2.88Å; E336-I340 WeakPolarHBondContact O-CD1 3.29Å
337I88.1Confident80.7Confident4 Ų458 Ų582%0.02127%0.273CS..Hα-helixtrans-62.6-50.2172.9-66.1-65.3000110.5I309 F333 R339 I340 A341 F344 L355 F358I309-I337 HydrophobicContact CD1-CD1 4.45Å; I309-I337 HydrophobicContact CG2-CD1 4.48Å; F333-I337 HydrophobicContact CD1-CG1 4.09Å; F333-I337 HydrophobicContact CE1-CD1 4.16Å; F333-I337 HydrophobicContact CE1-CG1 3.63Å; F333-I337 HydrophobicContact CE2-CD1 4.22Å; F333-I337 HydrophobicContact CE2-CG1 4.23Å; F333-I337 HydrophobicContact CZ-CD1 3.75Å; F333-I337 HydrophobicContact CZ-CG1 3.71Å; F333-I337 WeakPolarHBondContact O-CG1 3.49Å; F333-I337 PolarHBondContact O-N 3.48Å; F333-I337 VanDerWaalsContact O-N 3.08Å; I337-R339 PolarHBondContact O-N 3.09Å; I337-I340 PolarHBondContact O-N 3.36Å; I337-A341 PolarHBondContact O-N 2.99Å; I337-F344 HydrophobicContact CG2-CB 3.93Å; I337-F344 HydrophobicContact CG2-CD2 3.72Å; I337-F344 HydrophobicContact CG2-CG 4.2Å; I337-L355 HydrophobicContact CG2-CD1 3.83Å; I337-F358 HydrophobicContact CD1-CD1 4.06Å; I337-F358 HydrophobicContact CD1-CE1 3.7Å; I337-F358 HydrophobicContact CG2-CD1 4.37Å; I337-F358 HydrophobicContact CG2-CE1 4.03Å
338A84.1Confident79.2Confident22 Ų2257.5 Ų57.518%0.18228%0.282CS..Hα-helixtrans-60-29.9-178.600000114K334 I335 I340K334-A338 WeakPolarHBondContact O-CB 3.17Å; K334-A338 PolarHBondContact O-N 3.01Å; I335-A338 PolarHBondContact O-N 3Å; A338-I340 VanDerWaalsContact C-N 3.29Å; A338-I340 PolarHBondContact O-N 2.77Å
339R82.3Confident78.2Confident148 Ų14859.3 Ų59.356%0.55829%0.29SS*.Hα-helixtrans-67.4-26.1175.9-77.4172-175.71697.7113.8I335 E336 I337I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.93Å; I335-R339 VanDerWaalsContact O-N 3.16Å; E336-R339 IonicContact OE1-CZ 2.86Å; E336-R339 IonicContact OE1-NH1 2.73Å; E336-R339 PolarHBondContact OE1-NH1 3.37Å; E336-R339 WeakPolarHBondContact OE2-CD 3.32Å; E336-R339 IonicContact OE2-CZ 2.93Å; E336-R339 IonicContact OE2-NH1 3.5Å; E336-R339 PolarHBondContact OE2-NH1 2.88Å; I337-R339 PolarHBondContact O-N 3.09Å
340I78.5Confident77.6Confident71 Ų7157.6 Ų57.636%0.36428%0.278SS..Hα-helixtrans-108.1-52.5-169.8-60.2160.4000109.8S305 I309 E336 I337 A338 F358S305-I340 VanDerWaalsContact CB-CD1 3.44Å; I309-I340 HydrophobicContact CD1-CD1 3.63Å; I309-I340 HydrophobicContact CG1-CD1 3.81Å; E336-I340 WeakPolarHBondContact O-CD1 3.29Å; I337-I340 PolarHBondContact O-N 3.36Å; A338-I340 VanDerWaalsContact C-N 3.29Å; A338-I340 PolarHBondContact O-N 2.77Å; I340-F358 HydrophobicContact CB-CZ 4.01Å; I340-F358 HydrophobicContact CG2-CE2 4.15Å; I340-F358 HydrophobicContact CG2-CZ 3.71Å
341A77.6Confident77.4Confident6 Ų658.9 Ų58.95%0.0529%0.285CS..  trans-101.392173.500000109.8I337 Q343 F344 F358I337-A341 PolarHBondContact O-N 2.99Å; A341-Q343 PolarHBondContact O-N 2.89Å; A341-F344 HydrophobicContact CB-CD2 3.46Å; A341-F344 VanDerWaalsContact CB-CD2 3.46Å; A341-F344 HydrophobicContact CB-CE2 3.71Å; A341-F344 PolarHBondContact O-N 3.24Å; A341-F358 HydrophobicContact CB-CD1 4.23Å; A341-F358 HydrophobicContact CB-CD2 4.06Å; A341-F358 HydrophobicContact CB-CE1 3.78Å; A341-F358 HydrophobicContact CB-CE2 3.6Å; A341-F358 HydrophobicContact CB-CG 4.36Å; A341-F358 HydrophobicContact CB-CZ 3.45Å; A341-F358 VanDerWaalsContact CB-CZ 3.45Å
342R73.3Confident77.5Confident206 Ų20652.4 Ų52.478%0.77726%0.26SS*.G310 helixtrans-60.1-15.9-178.8-65.4-173.769.4164.82.9113.9F344 S345R342-F344 VanDerWaalsContact C-N 3.32Å; R342-S345 PolarHBondContact O-N 2.74Å; R342-S345 PolarHBondContact O-OG 3.45Å
343Q74.6Confident77.6Confident100 Ų10047.3 Ų47.347%0.46724%0.236SC..G310 helixtrans-61.8-40.7170.861.7-107.14900111.8A341 S345 H350 E354A341-Q343 PolarHBondContact O-N 2.89Å; Q343-S345 VanDerWaalsContact C-N 3.28Å; Q343-S345 PolarHBondContact O-N 3.22Å; Q343-H350 PolarHBondContact O-CE1 3.11Å; Q343-H350 PolarHBondContact O-NE2 3.18Å; Q343-H350 VanDerWaalsContact O-NE2 3.13Å; Q343-E354 PolarHBondContact NE2-OE1 3.49Å
344F75.3Confident77.5Confident7 Ų750.7 Ų50.73%0.03125%0.252CS..G310 helixtrans-858.6-177.5-49.3-54.5000114F270 I337 A341 R342 G346 H350 E354 L355 F358F270-F344 AromaticContact CE2-CD1 3.98Å; F270-F344 HydrophobicContact CE2-CD1 3.98Å; F270-F344 HydrophobicContact CE2-CE1 4.4Å; F270-F344 HydrophobicContact CZ-CD1 4.28Å; I337-F344 HydrophobicContact CG2-CB 3.93Å; I337-F344 HydrophobicContact CG2-CD2 3.72Å; I337-F344 HydrophobicContact CG2-CG 4.2Å; A341-F344 HydrophobicContact CB-CD2 3.46Å; A341-F344 VanDerWaalsContact CB-CD2 3.46Å; A341-F344 HydrophobicContact CB-CE2 3.71Å; A341-F344 PolarHBondContact O-N 3.24Å; R342-F344 VanDerWaalsContact C-N 3.32Å; F344-G346 VanDerWaalsContact C-N 3.3Å; F344-H350 HydrophobicContact CD1-CB 4.08Å; F344-H350 AromaticContact CD1-CG 3.76Å; F344-H350 AromaticContact CD1-ND1 3.92Å; F344-H350 HydrophobicContact CE1-CB 4.08Å; F344-E354 HydrophobicContact CZ-CG 4.05Å; F344-L355 HydrophobicContact CD1-CD1 4.34Å; F344-L355 HydrophobicContact CD2-CD1 3.71Å; F344-L355 HydrophobicContact CE1-CB 4.27Å; F344-L355 HydrophobicContact CE1-CD1 4.35Å; F344-L355 HydrophobicContact CE2-CD1 3.74Å; F344-L355 HydrophobicContact CG-CD1 4.04Å; F344-L355 HydrophobicContact CZ-CB 4.14Å; F344-L355 HydrophobicContact CZ-CD1 4.07Å; F344-F358 HydrophobicContact CD2-CD1 4.29Å; F344-F358 HydrophobicContact CE2-CB 4.09Å; F344-F358 AromaticContact CE2-CD1 3.89Å; F344-F358 HydrophobicContact CE2-CD1 3.89Å; F344-F358 AromaticContact CE2-CG 3.94Å; F344-F358 HydrophobicContact CE2-CG 3.94Å
345S60.5Low77.7Confident63 Ų6349.5 Ų49.544%0.44125%0.247SC..G310 helixtrans-78.1-15.8179.272.40000113.6R342 Q343R342-S345 PolarHBondContact O-N 2.74Å; R342-S345 PolarHBondContact O-OG 3.45Å; Q343-S345 VanDerWaalsContact C-N 3.28Å; Q343-S345 PolarHBondContact O-N 3.22Å
346G57.7Low78Confident30 Ų3046.7 Ų46.731%0.30923%0.232SC..SBendtrans-89.4-166.7179.700000113.9F344F344-G346 VanDerWaalsContact C-N 3.3Å
347Y58.1Low78.1Confident57 Ų5748 Ų4822%0.22424%0.242CC..SBendtrans-118.825175.2-55.8-104.3000109.8E201 L265 N267 K334E201-Y347 HydrophobicContact CB-CE2 4.01Å; E201-Y347 HydrophobicContact CG-CD2 4.32Å; E201-Y347 HydrophobicContact CG-CE2 3.78Å; E201-Y347 PolarHBondContact O-OH 3.42Å; L265-Y347 VanDerWaalsContact O-CD1 3.23Å; L265-Y347 WeakPolarHBondContact O-CD1 3.26Å; L265-Y347 WeakPolarHBondContact O-CE1 3.19Å; N267-Y347 VanDerWaalsContact CB-O 3.24Å; N267-Y347 WeakPolarHBondContact CB-O 3.43Å; N267-Y347 PolarHBondContact ND2-O 3.01Å; K334-Y347 VanDerWaalsContact NZ-CE1 3.31Å
348A50.5Low78.3Confident54 Ų5449.8 Ų49.845%0.44625%0.25SC..SBendtrans-73.9158.5166.200000109.3H350A348-H350 PolarHBondContact O-CD2 3.35Å
349Q64.1Low78.8Confident40 Ų4048.8 Ų48.819%0.18724%0.241CC..  trans-76.8147.1167.3-61.4-164.6-6.100110N267 G808N267-Q349 HydrophobicContact CB-CG 3.94Å; N267-Q349 WeakPolarHBondContact OD1-CG 3.42Å; N267-Q349 PolarHBondContact OD1-NE2 2.89Å; Q349-G808 PolarHBondContact NE2-O 3.09Å; Q349-G808 PolarHBondContact OE1-O 3.4Å
350H78.7Confident79.4Confident27 Ų2741.8 Ų41.813%0.12522%0.215CC..  trans-137.6160-176.6-68-78.2000110.3F270 Q343 F344 A348 T352 Y810F270-H350 VanDerWaalsContact CB-O 3.27Å; F270-H350 WeakPolarHBondContact CB-O 3.06Å; F270-H350 HydrophobicContact CD1-CB 4.08Å; F270-H350 HydrophobicContact CD2-CB 3.81Å; F270-H350 HydrophobicContact CE1-CB 3.98Å; F270-H350 AromaticContact CE1-CD2 3.71Å; F270-H350 HydrophobicContact CE2-CB 3.69Å; F270-H350 HydrophobicContact CG-CB 4.02Å; F270-H350 HydrophobicContact CZ-CB 3.8Å; F270-H350 AromaticContact CZ-CD2 3.58Å; F270-H350 AromaticContact CZ-CG 4Å; Q343-H350 PolarHBondContact O-CE1 3.11Å; Q343-H350 PolarHBondContact O-NE2 3.18Å; Q343-H350 VanDerWaalsContact O-NE2 3.13Å; F344-H350 HydrophobicContact CD1-CB 4.08Å; F344-H350 AromaticContact CD1-CG 3.76Å; F344-H350 AromaticContact CD1-ND1 3.92Å; F344-H350 HydrophobicContact CE1-CB 4.08Å; A348-H350 PolarHBondContact O-CD2 3.35Å; H350-T352 PolarHBondContact O-N 2.89Å; H350-Y810 VanDerWaalsContact O-CE2 3.28Å; H350-Y810 WeakPolarHBondContact O-CE2 3.21Å
351D85.5Confident80.2Confident29 Ų2942.6 Ų42.616%0.15522%0.22CC..  trans-69.9120.6175.4-173-17.2000110.4H353 E354 L355 Q751 L805 Y844D351-H353 PolarHBondContact O-N 3.19Å; D351-H353 WeakPolarHBondContact OD1-CB 3.47Å; D351-H353 PolarHBondContact OD1-N 2.87Å; D351-E354 HydrophobicContact CB-CB 3.91Å; D351-E354 WeakPolarHBondContact O-CB 2.97Å; D351-E354 PolarHBondContact O-N 3.23Å; D351-E354 VanDerWaalsContact O-N 3.14Å; D351-L355 PolarHBondContact O-N 2.76Å; D351-Q751 PolarHBondContact OD2-NE2 2.87Å; D351-L805 HydrophobicContact CB-CD1 4.4Å; D351-Y844 VanDerWaalsContact OD1-CE1 3.29Å; D351-Y844 WeakPolarHBondContact OD1-CE1 3.32Å; D351-Y844 PolarHBondContact OD1-OH 3.32Å; D351-Y844 PolarHBondContact OD2-OH 3.01Å
352T90.4Very high81Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-55.4-34.9174.5-68.30000112.6F270 A274 H350 L356 S799 Y810F270-T352 WeakPolarHBondContact CA-OG1 3.49Å; F270-T352 VanDerWaalsContact CB-OG1 3.32Å; F270-T352 WeakPolarHBondContact CB-OG1 3.31Å; F270-T352 PolarHBondContact O-OG1 3.42Å; A274-T352 HydrophobicContact CB-CG2 3.95Å; H350-T352 PolarHBondContact O-N 2.89Å; T352-L356 VanDerWaalsContact O-CB 3.27Å; T352-L356 WeakPolarHBondContact O-CB 3.48Å; T352-L356 PolarHBondContact O-N 2.99Å; T352-S799 WeakPolarHBondContact CG2-OG 3.25Å; T352-Y810 WeakPolarHBondContact OG1-CD1 2.98Å; T352-Y810 WeakPolarHBondContact OG1-CE1 3.33Å
353H92Very high82.1Confident13 Ų1333 Ų336%0.0619%0.185CC..Hα-helixtrans-70.6-39.9177.6176.9-104.9000112.1D351 L355 L356 V357 S434 Q751 Y844 V845D351-H353 PolarHBondContact O-N 3.19Å; D351-H353 WeakPolarHBondContact OD1-CB 3.47Å; D351-H353 PolarHBondContact OD1-N 2.87Å; H353-L355 VanDerWaalsContact C-N 3.35Å; H353-L355 PolarHBondContact O-N 2.83Å; H353-L356 PolarHBondContact O-N 2.93Å; H353-V357 WeakPolarHBondContact NE2-CG2 3.3Å; H353-V357 WeakPolarHBondContact O-CG2 3.31Å; H353-V357 PolarHBondContact O-N 2.86Å; H353-S434 PolarHBondContact NE2-OG 2.69Å; H353-Q751 HydrophobicContact CB-CB 4.48Å; H353-Q751 HydrophobicContact CB-CG 3.92Å; H353-Q751 VanDerWaalsContact CG-CD 3.41Å; H353-Q751 VanDerWaalsContact ND1-CD 3.27Å; H353-Q751 PolarHBondContact ND1-NE2 3.42Å; H353-Q751 PolarHBondContact ND1-OE1 2.88Å; H353-Y844 HydrophobicContact CB-CE1 4.42Å; H353-V845 HydrophobicContact CB-CG2 4Å
354E90.4Very high83.2Confident76 Ų7628.3 Ų28.336%0.35516%0.164SC..Hα-helixtrans-58.8-47.6176.3-170-165.5163.800110.6Q343 F344 D351 F358Q343-E354 PolarHBondContact NE2-OE1 3.49Å; F344-E354 HydrophobicContact CZ-CG 4.05Å; D351-E354 HydrophobicContact CB-CB 3.91Å; D351-E354 WeakPolarHBondContact O-CB 2.97Å; D351-E354 PolarHBondContact O-N 3.23Å; D351-E354 VanDerWaalsContact O-N 3.14Å; E354-F358 WeakPolarHBondContact O-CB 3.5Å; E354-F358 PolarHBondContact O-N 2.84Å
355L91.9Very high84.2Confident2 Ų228.6 Ų28.61%0.0117%0.165CC..Hα-helixtrans-64.7-41.5174.8-176.977.1000112.1F270 M271 A274 I337 F344 D351 H353 V357 F358 L359F270-L355 HydrophobicContact CD2-CB 4.05Å; F270-L355 HydrophobicContact CD2-CD2 3.86Å; F270-L355 HydrophobicContact CE2-CB 4.1Å; F270-L355 HydrophobicContact CE2-CD1 4.35Å; F270-L355 HydrophobicContact CE2-CD2 3.77Å; F270-L355 HydrophobicContact CE2-CG 4.28Å; M271-L355 HydrophobicContact CB-CD2 3.58Å; M271-L355 HydrophobicContact CG-CD2 3.75Å; A274-L355 HydrophobicContact CB-CD2 4.18Å; I337-L355 HydrophobicContact CG2-CD1 3.83Å; F344-L355 HydrophobicContact CD1-CD1 4.34Å; F344-L355 HydrophobicContact CD2-CD1 3.71Å; F344-L355 HydrophobicContact CE1-CB 4.27Å; F344-L355 HydrophobicContact CE1-CD1 4.35Å; F344-L355 HydrophobicContact CE2-CD1 3.74Å; F344-L355 HydrophobicContact CG-CD1 4.04Å; F344-L355 HydrophobicContact CZ-CB 4.14Å; F344-L355 HydrophobicContact CZ-CD1 4.07Å; D351-L355 PolarHBondContact O-N 2.76Å; H353-L355 VanDerWaalsContact C-N 3.35Å; H353-L355 PolarHBondContact O-N 2.83Å; L355-V357 PolarHBondContact O-N 3.17Å; L355-F358 HydrophobicContact CD1-CD1 4.43Å; L355-F358 PolarHBondContact O-N 3.28Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 2.94Å; L355-L359 PolarHBondContact O-N 2.8Å
356L93.9Very high85.9Confident1 Ų125.6 Ų25.61%0.00514%0.144CC..Hα-helixtrans-60.4-45.4179.8-174.5162.7000110.9A274 M278 T352 H353 L359 L360 V749 V845A274-L356 HydrophobicContact CB-CB 4.29Å; M278-L356 HydrophobicContact CE-CD1 3.91Å; M278-L356 HydrophobicContact CE-CG 4.32Å; M278-L356 HydrophobicContact CG-CG 4.47Å; M278-L356 HydrophobicContact SD-CD2 4.43Å; M278-L356 HydrophobicContact SD-CG 4.31Å; T352-L356 VanDerWaalsContact O-CB 3.27Å; T352-L356 WeakPolarHBondContact O-CB 3.48Å; T352-L356 PolarHBondContact O-N 2.99Å; H353-L356 PolarHBondContact O-N 2.93Å; L356-L359 PolarHBondContact O-N 3.13Å; L356-L360 HydrophobicContact CD2-CD1 3.64Å; L356-L360 HydrophobicContact CD2-CG 4.11Å; L356-L360 WeakPolarHBondContact O-CG 2.89Å; L356-L360 PolarHBondContact O-N 3.43Å; L356-V749 HydrophobicContact CD1-CG1 4.23Å; L356-V749 HydrophobicContact CD2-CG1 3.92Å; L356-V749 HydrophobicContact CD2-CG2 4.43Å; L356-V845 HydrophobicContact CD1-CG1 4.24Å
357V92.4Very high87.8Confident51 Ų5124.2 Ų24.231%0.30913%0.129SC..Hα-helixtrans-64.2-43.3175.9174.10000111H353 L355 L359 L360 D361H353-V357 WeakPolarHBondContact NE2-CG2 3.3Å; H353-V357 WeakPolarHBondContact O-CG2 3.31Å; H353-V357 PolarHBondContact O-N 2.86Å; L355-V357 PolarHBondContact O-N 3.17Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 3.29Å; V357-L360 PolarHBondContact O-N 3.46Å; V357-D361 PolarHBondContact O-N 3.23Å
358F92.5Very high89.7Confident42 Ų4221.5 Ų21.518%0.18412%0.119CC..Hα-helixtrans-60.6-39.4175177.8-100.8000112.7I337 I340 A341 F344 E354 L355 D361 G362I337-F358 HydrophobicContact CD1-CD1 4.06Å; I337-F358 HydrophobicContact CD1-CE1 3.7Å; I337-F358 HydrophobicContact CG2-CD1 4.37Å; I337-F358 HydrophobicContact CG2-CE1 4.03Å; I340-F358 HydrophobicContact CB-CZ 4.01Å; I340-F358 HydrophobicContact CG2-CE2 4.15Å; I340-F358 HydrophobicContact CG2-CZ 3.71Å; A341-F358 HydrophobicContact CB-CD1 4.23Å; A341-F358 HydrophobicContact CB-CD2 4.06Å; A341-F358 HydrophobicContact CB-CE1 3.78Å; A341-F358 HydrophobicContact CB-CE2 3.6Å; A341-F358 HydrophobicContact CB-CG 4.36Å; A341-F358 HydrophobicContact CB-CZ 3.45Å; A341-F358 VanDerWaalsContact CB-CZ 3.45Å; F344-F358 HydrophobicContact CD2-CD1 4.29Å; F344-F358 HydrophobicContact CE2-CB 4.09Å; F344-F358 AromaticContact CE2-CD1 3.89Å; F344-F358 HydrophobicContact CE2-CD1 3.89Å; F344-F358 AromaticContact CE2-CG 3.94Å; F344-F358 HydrophobicContact CE2-CG 3.94Å; E354-F358 WeakPolarHBondContact O-CB 3.5Å; E354-F358 PolarHBondContact O-N 2.84Å; L355-F358 HydrophobicContact CD1-CD1 4.43Å; L355-F358 PolarHBondContact O-N 3.28Å; F358-D361 PolarHBondContact O-N 3.39Å; F358-G362 PolarHBondContact O-N 3.42Å
359L94.1Very high91.9Very high1 Ų122.1 Ų22.11%0.00511%0.11CC..Hα-helixtrans-65.5-44.5175.5176.857.5000111.6L275 M278 I309 Y313 F333 L355 L356 V357 G362 L363L275-L359 HydrophobicContact CD2-CD2 4.13Å; M278-L359 HydrophobicContact CG-CD2 4.37Å; I309-L359 HydrophobicContact CG2-CD1 4.05Å; Y313-L359 HydrophobicContact CD2-CD1 4.19Å; Y313-L359 HydrophobicContact CD2-CD2 4.37Å; Y313-L359 HydrophobicContact CE2-CD2 4.09Å; F333-L359 HydrophobicContact CE2-CD1 3.84Å; F333-L359 HydrophobicContact CZ-CD1 3.6Å; F333-L359 HydrophobicContact CZ-CD2 4.27Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 2.94Å; L355-L359 PolarHBondContact O-N 2.8Å; L356-L359 PolarHBondContact O-N 3.13Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 3.29Å; L359-G362 PolarHBondContact O-N 2.89Å; L359-L363 HydrophobicContact CD1-CD1 3.88Å; L359-L363 HydrophobicContact CD1-CG 3.93Å; L359-L363 HydrophobicContact CG-CD1 4.07Å; L359-L363 HydrophobicContact CG-CG 4.49Å; L359-L363 WeakPolarHBondContact O-CB 3Å; L359-L363 VanDerWaalsContact O-CG 3.25Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 3.07Å
360L95.6Very high93.3Very high2 Ų222 Ų221%0.0111%0.11CC..Hα-helixtrans-62-42.5176.3-70.5179.8000111.5M278 L356 V357 H364 I405 F409 A433M278-L360 HydrophobicContact SD-CD2 4.04Å; L356-L360 HydrophobicContact CD2-CD1 3.64Å; L356-L360 HydrophobicContact CD2-CG 4.11Å; L356-L360 WeakPolarHBondContact O-CG 2.89Å; L356-L360 PolarHBondContact O-N 3.43Å; V357-L360 PolarHBondContact O-N 3.46Å; L360-H364 WeakPolarHBondContact O-CB 3.46Å; L360-H364 PolarHBondContact O-N 3.4Å; L360-I405 HydrophobicContact CB-CG2 4.14Å; L360-I405 HydrophobicContact CD2-CD1 4.2Å; L360-I405 HydrophobicContact CD2-CG2 4.15Å; L360-F409 HydrophobicContact CD1-CD1 4.03Å; L360-F409 HydrophobicContact CD1-CE1 4.44Å; L360-F409 HydrophobicContact CD1-CG 4.26Å; L360-F409 HydrophobicContact CD2-CD1 4.2Å; L360-F409 HydrophobicContact CD2-CD2 3.95Å; L360-F409 HydrophobicContact CD2-CE1 4.09Å; L360-F409 HydrophobicContact CD2-CE2 3.85Å; L360-F409 HydrophobicContact CD2-CG 4.13Å; L360-F409 HydrophobicContact CD2-CZ 3.92Å; L360-A433 HydrophobicContact CD1-CB 4.42Å
361D94.6Very high93.7Very high87 Ų8727.2 Ų27.247%0.46513%0.134SC..Hα-helixtrans-66.6-45.5176.8-168.463.7000112.2V357 F358 L363 H364 E365V357-D361 PolarHBondContact O-N 3.23Å; F358-D361 PolarHBondContact O-N 3.39Å; D361-L363 PolarHBondContact O-N 3.19Å; D361-H364 WeakPolarHBondContact O-CB 3.04Å; D361-H364 PolarHBondContact O-N 3.32Å; D361-H364 VanDerWaalsContact O-N 3.13Å; D361-E365 PolarHBondContact O-N 3.31Å
362G94.2Very high93.9Very high9 Ų930.7 Ų30.79%0.09316%0.16CC..Hα-helixtrans-61.3-40.9176.300000113.4F358 L359 D366F358-G362 PolarHBondContact O-N 3.42Å; L359-G362 PolarHBondContact O-N 2.89Å; G362-D366 WeakPolarHBondContact O-CB 3.36Å; G362-D366 PolarHBondContact O-N 3Å; G362-D366 VanDerWaalsContact O-N 3.11Å
363L96.8Very high93.9Very high1 Ų132.6 Ų32.61%0.00517%0.169CC..Hα-helixtrans-70.2-36.5172.5-69.2176.8000112.3F288 I309 A310 Y313 L359 D361 L367 I405F288-L363 HydrophobicContact CZ-CD2 4.05Å; I309-L363 HydrophobicContact CG2-CD2 3.97Å; I309-L363 HydrophobicContact CG2-CG 4.32Å; A310-L363 HydrophobicContact CB-CD2 4.1Å; Y313-L363 HydrophobicContact CD1-CD1 4Å; Y313-L363 HydrophobicContact CD1-CD2 4.17Å; Y313-L363 HydrophobicContact CD2-CD1 4.43Å; Y313-L363 HydrophobicContact CE1-CD1 4.11Å; Y313-L363 HydrophobicContact CG-CD1 4.16Å; Y313-L363 HydrophobicContact CG-CD2 4.13Å; L359-L363 HydrophobicContact CD1-CD1 3.88Å; L359-L363 HydrophobicContact CD1-CG 3.93Å; L359-L363 HydrophobicContact CG-CD1 4.07Å; L359-L363 HydrophobicContact CG-CG 4.49Å; L359-L363 WeakPolarHBondContact O-CB 3Å; L359-L363 VanDerWaalsContact O-CG 3.25Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 3.07Å; D361-L363 PolarHBondContact O-N 3.19Å; L363-L367 VanDerWaalsContact O-CB 3.27Å; L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 2.96Å; L363-L367 VanDerWaalsContact O-N 3.12Å; L363-I405 HydrophobicContact CB-CD1 3.96Å; L363-I405 HydrophobicContact CB-CG1 3.9Å; L363-I405 HydrophobicContact CD1-CD1 4.36Å
364H97.4Very high93.7Very high3 Ų334.5 Ų34.51%0.01418%0.182CC..Hα-helixtrans-59.3-52.7175.216844.3000110.1L360 D361 L367 N368 N401 S403 I405L360-H364 WeakPolarHBondContact O-CB 3.46Å; L360-H364 PolarHBondContact O-N 3.4Å; D361-H364 WeakPolarHBondContact O-CB 3.04Å; D361-H364 PolarHBondContact O-N 3.32Å; D361-H364 VanDerWaalsContact O-N 3.13Å; H364-L367 CarbonylContact O-C 3.58Å; H364-L367 PolarHBondContact O-N 2.85Å; H364-N368 PolarHBondContact CE1-ND2 2.93Å; H364-N368 WeakPolarHBondContact O-CA 3.33Å; H364-N368 WeakPolarHBondContact O-CB 3.29Å; H364-N368 PolarHBondContact O-N 3.07Å; H364-N401 WeakPolarHBondContact NE2-CB 3.49Å; H364-N401 PolarHBondContact NE2-OD1 3Å; H364-S403 PolarHBondContact ND1-OG 3.29Å; H364-I405 HydrophobicContact CB-CB 4.01Å; H364-I405 HydrophobicContact CB-CG1 4.26Å; H364-I405 HydrophobicContact CB-CG2 4.19Å
365E96.3Very high93.5Very high13 Ų1340.5 Ų40.56%0.06120%0.203CC..Hα-helixtrans-72.7-33.8-174.1-66.1-70.2-155.700112.8N301 L303 D361 L367 N368 K373N301-E365 PolarHBondContact ND2-O 3.03Å; N301-E365 PolarHBondContact ND2-OE2 3.2Å; L303-E365 HydrophobicContact CB-CG 4.08Å; L303-E365 WeakPolarHBondContact CB-OE1 3.47Å; L303-E365 WeakPolarHBondContact CD1-OE1 3.23Å; D361-E365 PolarHBondContact O-N 3.31Å; E365-L367 VanDerWaalsContact C-N 3.28Å; E365-L367 PolarHBondContact O-N 3.49Å; E365-N368 PolarHBondContact OE2-ND2 3.39Å; E365-K373 IonicContact OE1-NZ 2.76Å; E365-K373 PolarHBondContact OE1-NZ 2.97Å; E365-K373 VanDerWaalsContact OE2-CE 3.28Å; E365-K373 WeakPolarHBondContact OE2-CE 3.34Å; E365-K373 IonicContact OE2-NZ 3.65Å; E365-K373 PolarHBondContact OE2-NZ 2.81Å
366D97Very high93Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-66-27.4170.6-87.7-4.3000113.4L297 N298 S305 G307 R308 I309 A310 G362L297-D366 CarbonylContact C-O 2.9Å; L297-D366 WeakPolarHBondContact CA-O 3.04Å; N298-D366 PolarHBondContact N-O 2.89Å; S305-D366 WeakPolarHBondContact CA-OD1 3.03Å; S305-D366 WeakPolarHBondContact CB-OD1 3.35Å; S305-D366 PolarHBondContact N-OD1 3.14Å; S305-D366 PolarHBondContact OG-OD1 3.13Å; S305-D366 PolarHBondContact OG-OD2 2.87Å; G307-D366 WeakPolarHBondContact CA-OD1 3.36Å; G307-D366 VanDerWaalsContact CA-OD2 3.26Å; G307-D366 WeakPolarHBondContact CA-OD2 3.2Å; G307-D366 PolarHBondContact N-OD1 2.93Å; R308-D366 PolarHBondContact N-OD2 2.81Å; I309-D366 PolarHBondContact N-OD2 3.23Å; A310-D366 HydrophobicContact CB-CB 3.63Å; A310-D366 PolarHBondContact N-OD2 2.93Å; G362-D366 WeakPolarHBondContact O-CB 3.36Å; G362-D366 PolarHBondContact O-N 3Å; G362-D366 VanDerWaalsContact O-N 3.11Å
367L97.6Very high92.3Very high0 Ų049.8 Ų49.80%025%0.248CC..THydrogen-bonded Turntrans-113.218.4-176.7-58.6171.7000112.8Y287 F288 W293 L297 A310 L363 H364 E365 R369 S403 I404Y287-L367 HydrophobicContact CE1-CD1 3.89Å; F288-L367 HydrophobicContact CE1-CD1 4.21Å; F288-L367 HydrophobicContact CZ-CD1 3.75Å; W293-L367 HydrophobicContact CB-CD2 4.03Å; L297-L367 HydrophobicContact CD1-CD2 4.11Å; A310-L367 HydrophobicContact CB-CD2 4.16Å; A310-L367 HydrophobicContact CB-CG 4.18Å; L363-L367 VanDerWaalsContact O-CB 3.27Å; L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 2.96Å; L363-L367 VanDerWaalsContact O-N 3.12Å; H364-L367 CarbonylContact O-C 3.58Å; H364-L367 PolarHBondContact O-N 2.85Å; E365-L367 VanDerWaalsContact C-N 3.28Å; E365-L367 PolarHBondContact O-N 3.49Å; L367-R369 PolarHBondContact O-N 2.74Å; L367-S403 WeakPolarHBondContact O-CB 3.24Å; L367-I404 HydrophobicContact CD1-CG2 3.88Å
368N97.2Very high91.6Very high0 Ų053 Ų530%027%0.267CS..  trans-76.5110.8-177.8-165.8-16.1000110.1N298 H364 E365 I370 K373 R400 D402N298-N368 VanDerWaalsContact CB-O 3.31Å; N298-N368 WeakPolarHBondContact CB-O 3.37Å; N298-N368 PolarHBondContact ND2-O 2.78Å; H364-N368 PolarHBondContact CE1-ND2 2.93Å; H364-N368 WeakPolarHBondContact O-CA 3.33Å; H364-N368 WeakPolarHBondContact O-CB 3.29Å; H364-N368 PolarHBondContact O-N 3.07Å; E365-N368 PolarHBondContact OE2-ND2 3.39Å; N368-I370 PolarHBondContact O-N 2.65Å; N368-I370 VanDerWaalsContact O-N 3.13Å; N368-I370 WeakPolarHBondContact OD1-CB 3.47Å; N368-I370 PolarHBondContact OD1-N 2.95Å; N368-I370 VanDerWaalsContact OD1-N 3.08Å; N368-K373 WeakPolarHBondContact ND2-CE 3.38Å; N368-K373 PolarHBondContact ND2-NZ 3.36Å; N368-K373 VanDerWaalsContact ND2-NZ 3.15Å; N368-R400 PolarHBondContact ND2-O 2.83Å; N368-R400 VanDerWaalsContact ND2-O 3.11Å; N368-D402 CarbonylContact C-O 3.53Å; N368-D402 WeakPolarHBondContact CA-O 3.45Å; N368-D402 PolarHBondContact OD1-N 2.99Å; N368-D402 VanDerWaalsContact OD1-N 3.12Å; N368-D402 PolarHBondContact OD1-O 2.9Å
369R96.5Very high90.9Very high68 Ų6856.7 Ų56.726%0.25728%0.283SS..SBendtrans-60.7-19.4177.7-58.3164.2-173.61346.9112.2E296 L367 H371 D402 D407E296-R369 IonicContact OE1-CZ 3.69Å; E296-R369 IonicContact OE1-NE 2.78Å; E296-R369 PolarHBondContact OE1-NE 3.2Å; E296-R369 IonicContact OE1-NH2 3.36Å; E296-R369 PolarHBondContact OE1-NH2 3.28Å; E296-R369 IonicContact OE2-CZ 2.93Å; E296-R369 IonicContact OE2-NE 3.67Å; E296-R369 IonicContact OE2-NH2 3.06Å; E296-R369 PolarHBondContact OE2-NH2 2.8Å; L367-R369 PolarHBondContact O-N 2.74Å; R369-H371 PolarHBondContact O-N 3.07Å; R369-D402 HydrophobicContact CB-CB 4.4Å; R369-D402 WeakPolarHBondContact CB-O 3.32Å; R369-D402 WeakPolarHBondContact CD-OD2 3.34Å; R369-D402 WeakPolarHBondContact CG-O 3.48Å; R369-D402 PolarHBondContact N-O 3.34Å; R369-D402 IonicContact NH1-OD1 3.81Å; R369-D402 PolarHBondContact NH1-OD1 3.39Å; R369-D402 IonicContact NH1-OD2 3.79Å; R369-D402 PolarHBondContact NH1-OD2 3.29Å; R369-D407 IonicContact CZ-OD2 3.56Å; R369-D407 VanDerWaalsContact CZ-OD2 3.27Å; R369-D407 IonicContact NH1-OD1 2.84Å; R369-D407 IonicContact NH1-OD2 2.73Å; R369-D407 PolarHBondContact NH1-OD2 3.01Å; R369-D407 IonicContact NH2-OD2 2.89Å; R369-D407 PolarHBondContact NH2-OD2 2.83Å
370I93.9Very high90.3Very high38 Ų3857.9 Ų57.920%0.19529%0.29CS..  trans-82.499175.1-50.6-55.3000110.5N298 N368 S372 K373 S399 D402N298-I370 PolarHBondContact ND2-O 2.73Å; N368-I370 PolarHBondContact O-N 2.65Å; N368-I370 VanDerWaalsContact O-N 3.13Å; N368-I370 WeakPolarHBondContact OD1-CB 3.47Å; N368-I370 PolarHBondContact OD1-N 2.95Å; N368-I370 VanDerWaalsContact OD1-N 3.08Å; I370-S372 VanDerWaalsContact C-N 3.32Å; I370-S372 PolarHBondContact O-N 3.24Å; I370-K373 HydrophobicContact CG2-CG 4.31Å; I370-S399 WeakPolarHBondContact CG2-O 3.42Å; I370-D402 HydrophobicContact CD1-CB 4.13Å; I370-D402 HydrophobicContact CG1-CB 4.02Å
371H88.5Confident89.8Confident135 Ų13558.2 Ų58.263%0.62529%0.292SS*.SBendtrans-72.4-17.4177.6-66.3-66000115.2N298 R369N298-H371 VanDerWaalsContact CG-ND1 3.27Å; N298-H371 PolarHBondContact ND2-ND1 2.75Å; N298-H371 PolarHBondContact OD1-ND1 2.87Å; R369-H371 PolarHBondContact O-N 3.07Å
372S88.5Confident89.3Confident102 Ų10259.9 Ų59.971%0.71330%0.301SS*.SBendtrans-143.5100.4-179.2-177.40000109.6I370 P374I370-S372 VanDerWaalsContact C-N 3.32Å; I370-S372 PolarHBondContact O-N 3.24Å; S372-P374 VanDerWaalsContact O-CD 3.26Å; S372-P374 WeakPolarHBondContact O-CD 3.3Å
373K90.3Very high88.8Confident40 Ų4063 Ų6317%0.17433%0.333CS..  trans-77.4110.6-174.3-55.4-165.9179.5-157.90110.9L303 E365 N368 I370 R400 N401L303-K373 HydrophobicContact CD1-CD 4.2Å; E365-K373 IonicContact OE1-NZ 2.76Å; E365-K373 PolarHBondContact OE1-NZ 2.97Å; E365-K373 VanDerWaalsContact OE2-CE 3.28Å; E365-K373 WeakPolarHBondContact OE2-CE 3.34Å; E365-K373 IonicContact OE2-NZ 3.65Å; E365-K373 PolarHBondContact OE2-NZ 2.81Å; N368-K373 WeakPolarHBondContact ND2-CE 3.38Å; N368-K373 PolarHBondContact ND2-NZ 3.36Å; N368-K373 VanDerWaalsContact ND2-NZ 3.15Å; I370-K373 HydrophobicContact CG2-CG 4.31Å; K373-R400 HydrophobicContact CB-CB 4.33Å; K373-R400 HydrophobicContact CB-CG 4.27Å; K373-R400 HydrophobicContact CD-CB 4.42Å; K373-R400 WeakPolarHBondContact CD-O 3.34Å; K373-R400 WeakPolarHBondContact CE-O 3.35Å; K373-R400 WeakPolarHBondContact CG-O 3.47Å; K373-R400 PolarHBondContact O-NH1 3.44Å; K373-N401 PolarHBondContact NZ-OD1 2.87Å
374P89.1Confident88.6Confident54 Ų5466.5 Ų66.535%0.35135%0.346SS..  trans-66.6139.2-179.428.3-35.8000111.6S372 I376 S399 R400S372-P374 VanDerWaalsContact O-CD 3.26Å; S372-P374 WeakPolarHBondContact O-CD 3.3Å; P374-I376 HydrophobicContact CB-CG1 4.43Å; P374-I376 HydrophobicContact CG-CD1 4.21Å; P374-I376 PolarHBondContact O-N 3.02Å; P374-S399 WeakPolarHBondContact CD-O 3.49Å; P374-R400 HydrophobicContact CG-CG 4.2Å; P374-R400 WeakPolarHBondContact O-CD 3.26Å; P374-R400 PolarHBondContact O-NH1 2.96Å
375Y85.3Confident88.4Confident202 Ų20269.6 Ų69.679%0.79237%0.366SS*.  trans-73.4125.3169.9179.9-90.2000109.6
376I81.5Confident88.3Confident60 Ų6071.6 Ų71.631%0.30838%0.377SS..  trans-136.8131.5179-55.8177.2000107.1P374 Y396P374-I376 HydrophobicContact CB-CG1 4.43Å; P374-I376 HydrophobicContact CG-CD1 4.21Å; P374-I376 PolarHBondContact O-N 3.02Å; I376-Y396 HydrophobicContact CD1-CD1 4.39Å; I376-Y396 HydrophobicContact CD1-CG 4.38Å; I376-Y396 HydrophobicContact CG2-CD2 3.76Å; I376-Y396 HydrophobicContact CG2-CE2 3.94Å; I376-Y396 HydrophobicContact CG2-CG 4.13Å
377E79.6Confident88.1Confident138 Ų13874.5 Ų74.565%0.64539%0.393SS*.PPolyproline II helixtrans-81.7123.9175.6-175.7175-161.700110
378V77.5Confident87.9Confident118 Ų11879.7 Ų79.772%0.71542%0.417SS*.PPolyproline II helixtrans-74.5128.8176.3-177.90000109
379K77.1Confident87.7Confident119 Ų11979.9 Ų79.952%0.51742%0.418SS..PPolyproline II helixtrans-102149.8179.2-64172.4-174.3166.50110.4
380D82Confident87.6Confident27 Ų2776.6 Ų76.614%0.14441%0.406CS..PPolyproline II helixtrans-64.5162.1164.9-159.9-16.5000109.1D382 R424 S426 V427D380-D382 PolarHBondContact O-N 3.27Å; D380-R424 IonicContact OD2-CZ 3.51Å; D380-R424 IonicContact OD2-NE 2.67Å; D380-R424 IonicContact OD2-NH2 2.74Å; D380-R424 PolarHBondContact OD2-NH2 2.93Å; D380-S426 WeakPolarHBondContact OD1-CA 3.38Å; D380-S426 PolarHBondContact OD1-OG 3.45Å; D380-S426 VanDerWaalsContact OD1-OG 3.13Å; D380-S426 WeakPolarHBondContact OD2-CB 3.31Å; D380-S426 PolarHBondContact OD2-OG 2.9Å; D380-V427 PolarHBondContact OD1-N 2.82Å
381S85.4Confident87.6Confident8 Ų878.6 Ų78.66%0.05642%0.417CS..  trans-56.1-38.6171156.90000111.4G383 R384 V427S381-G383 PolarHBondContact O-N 2.67Å; S381-G383 VanDerWaalsContact O-N 3.08Å; S381-G383 PolarHBondContact OG-N 3.5Å; S381-R384 WeakPolarHBondContact O-CB 3.34Å; S381-R384 WeakPolarHBondContact O-CG 3.23Å; S381-R384 PolarHBondContact O-N 3.33Å; S381-R384 PolarHBondContact O-NE 3.27Å; S381-R384 PolarHBondContact OG-N 2.99Å; S381-R384 PolarHBondContact OG-O 3.46Å; S381-V427 WeakPolarHBondContact CB-O 3.19Å; S381-V427 PolarHBondContact N-O 2.84Å; S381-V427 VanDerWaalsContact N-O 3.1Å
382D83.5Confident87.9Confident122 Ų12274.1 Ų74.165%0.65240%0.396SS*.THydrogen-bonded Turntrans48.129.2-172.2-73.9-33.2000113.4D380 R424D380-D382 PolarHBondContact O-N 3.27Å; D382-R424 IonicContact OD1-CZ 2.69Å; D382-R424 IonicContact OD1-NH2 2.85Å; D382-R424 PolarHBondContact OD1-NH2 2.82Å
383G83.5Confident88.1Confident74 Ų7470.4 Ų70.476%0.76337%0.371SS*.THydrogen-bonded Turntrans91.53.9177.600000115.1S381S381-G383 PolarHBondContact O-N 2.67Å; S381-G383 VanDerWaalsContact O-N 3.08Å; S381-G383 PolarHBondContact OG-N 3.5Å
384R92.7Very high88.3Confident75 Ų7570 Ų7028%0.28337%0.369SS..  trans-66.3152.8172.1-66.8-175-66.3159.6-4.8111.7S381 D386 V389 E392S381-R384 WeakPolarHBondContact O-CB 3.34Å; S381-R384 WeakPolarHBondContact O-CG 3.23Å; S381-R384 PolarHBondContact O-N 3.33Å; S381-R384 PolarHBondContact O-NE 3.27Å; S381-R384 PolarHBondContact OG-N 2.99Å; S381-R384 PolarHBondContact OG-O 3.46Å; R384-D386 PolarHBondContact O-N 3Å; R384-V389 HydrophobicContact CB-CG2 3.6Å; R384-E392 IonicContact CZ-OE1 3.49Å; R384-E392 IonicContact CZ-OE2 3.43Å; R384-E392 VanDerWaalsContact NH1-CD 3.29Å; R384-E392 IonicContact NH1-OE1 3.48Å; R384-E392 PolarHBondContact NH1-OE1 3.23Å; R384-E392 IonicContact NH1-OE2 3.27Å; R384-E392 PolarHBondContact NH1-OE2 3.12Å; R384-E392 IonicContact NH2-OE1 2.72Å; R384-E392 PolarHBondContact NH2-OE1 2.83Å; R384-E392 IonicContact NH2-OE2 3.98Å
385P93Very high88.5Confident68 Ų6873.9 Ų73.944%0.44238%0.382SS..  trans-54.7135.3176.7-24.834.7000112.3I387 E388 V389P385-I387 HydrophobicContact CB-CG2 4.23Å; P385-I387 PolarHBondContact O-N 3.38Å; P385-I387 VanDerWaalsContact O-N 3.13Å; P385-E388 HydrophobicContact CB-CG 4.27Å; P385-E388 HydrophobicContact CG-CG 4.44Å; P385-E388 PolarHBondContact O-N 2.74Å; P385-V389 PolarHBondContact O-N 3.25Å
386D93.9Very high88.9Confident55 Ų5568 Ų6829%0.29436%0.359SS..Hα-helixtrans-50.4-42.4-177.6-74.9-39.1000112.4R384 E388 V389 A390 K414 F429 W742R384-D386 PolarHBondContact O-N 3Å; D386-E388 VanDerWaalsContact C-N 3.35Å; D386-E388 PolarHBondContact O-N 2.97Å; D386-V389 PolarHBondContact O-N 2.76Å; D386-A390 VanDerWaalsContact O-CB 3.22Å; D386-A390 WeakPolarHBondContact O-CB 3.41Å; D386-A390 PolarHBondContact O-N 3.31Å; D386-K414 WeakPolarHBondContact OD1-CE 3.41Å; D386-K414 IonicContact OD1-NZ 3.73Å; D386-K414 PolarHBondContact OD1-NZ 3.46Å; D386-K414 VanDerWaalsContact OD1-NZ 3.14Å; D386-K414 IonicContact OD2-NZ 2.76Å; D386-K414 PolarHBondContact OD2-NZ 3.31Å; D386-F429 HydrophobicContact CB-CZ 3.8Å; D386-W742 HydrophobicContact CB-CH2 3.59Å; D386-W742 HydrophobicContact CB-CZ2 4.48Å; D386-W742 HydrophobicContact CB-CZ3 3.84Å
387I93.4Very high89.5Confident62 Ų6267 Ų6732%0.31835%0.352SS..Hα-helixtrans-62.8-35.2-179.9-172.856.8000113.7P385 N391 W742 E784P385-I387 HydrophobicContact CB-CG2 4.23Å; P385-I387 PolarHBondContact O-N 3.38Å; P385-I387 VanDerWaalsContact O-N 3.13Å; I387-N391 VanDerWaalsContact CD1-ND2 3.33Å; I387-N391 WeakPolarHBondContact CD1-ND2 3.36Å; I387-N391 WeakPolarHBondContact O-CB 3.27Å; I387-N391 VanDerWaalsContact O-CG 3.26Å; I387-N391 PolarHBondContact O-N 3.27Å; I387-N391 PolarHBondContact O-ND2 2.95Å; I387-W742 HydrophobicContact CB-CZ2 4.42Å; I387-W742 HydrophobicContact CD1-CZ2 4.05Å; I387-E784 VanDerWaalsContact CD1-CD 3.45Å; I387-E784 HydrophobicContact CD1-CG 4.01Å; I387-E784 WeakPolarHBondContact CD1-OE1 3.47Å
388E93.5Very high90.2Very high108 Ų10863.4 Ų63.451%0.50533%0.334SS..Hα-helixtrans-71.7-46.2177.2-66.8178-164.200110.4P385 D386 E392P385-E388 HydrophobicContact CB-CG 4.27Å; P385-E388 HydrophobicContact CG-CG 4.44Å; P385-E388 PolarHBondContact O-N 2.74Å; D386-E388 VanDerWaalsContact C-N 3.35Å; D386-E388 PolarHBondContact O-N 2.97Å; E388-E392 VanDerWaalsContact O-CB 3.25Å; E388-E392 WeakPolarHBondContact O-CB 2.92Å; E388-E392 PolarHBondContact O-N 2.73Å
389V93.6Very high90.9Very high4 Ų459.9 Ų59.92%0.02431%0.314CS..Hα-helixtrans-67.6-39.7-178.4-172.10000111.2R384 P385 D386 A393 F429R384-V389 HydrophobicContact CB-CG2 3.6Å; P385-V389 PolarHBondContact O-N 3.25Å; D386-V389 PolarHBondContact O-N 2.76Å; V389-A393 VanDerWaalsContact O-CB 3.26Å; V389-A393 WeakPolarHBondContact O-CB 3.49Å; V389-A393 PolarHBondContact O-N 2.76Å; V389-F429 HydrophobicContact CB-CD2 4.03Å; V389-F429 HydrophobicContact CB-CE2 3.83Å; V389-F429 HydrophobicContact CG1-CD2 3.73Å; V389-F429 HydrophobicContact CG1-CE2 3.92Å
390A94.1Very high91.7Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-68-43.1178.900000112.6D386 A393 W394 Q412 F429 W742D386-A390 VanDerWaalsContact O-CB 3.22Å; D386-A390 WeakPolarHBondContact O-CB 3.41Å; D386-A390 PolarHBondContact O-N 3.31Å; A390-A393 PolarHBondContact O-N 3.2Å; A390-W394 WeakPolarHBondContact O-CB 3.42Å; A390-W394 PolarHBondContact O-N 2.78Å; A390-Q412 PolarHBondContact O-NE2 3.43Å; A390-F429 HydrophobicContact CB-CB 4.37Å; A390-F429 HydrophobicContact CB-CD1 3.47Å; A390-F429 VanDerWaalsContact CB-CD1 3.47Å; A390-F429 HydrophobicContact CB-CD2 4.11Å; A390-F429 HydrophobicContact CB-CE1 3.64Å; A390-F429 HydrophobicContact CB-CE2 4.26Å; A390-F429 HydrophobicContact CB-CG 3.72Å; A390-F429 HydrophobicContact CB-CZ 4.04Å; A390-W742 HydrophobicContact CB-CD2 4.2Å; A390-W742 VanDerWaalsContact CB-CE2 3.44Å; A390-W742 HydrophobicContact CB-CG 4.39Å; A390-W742 HydrophobicContact CB-CZ2 3.79Å
391N94Very high92.4Very high80 Ų8057.6 Ų57.643%0.42830%0.302SS..Hα-helixtrans-65-45.7175-76-38.3000111.1I387 A393 W394 E395I387-N391 VanDerWaalsContact CD1-ND2 3.33Å; I387-N391 WeakPolarHBondContact CD1-ND2 3.36Å; I387-N391 WeakPolarHBondContact O-CB 3.27Å; I387-N391 VanDerWaalsContact O-CG 3.26Å; I387-N391 PolarHBondContact O-N 3.27Å; I387-N391 PolarHBondContact O-ND2 2.95Å; N391-A393 PolarHBondContact O-N 3.47Å; N391-W394 PolarHBondContact O-N 3.37Å; N391-E395 WeakPolarHBondContact O-CB 3.14Å; N391-E395 WeakPolarHBondContact O-CG 3.36Å; N391-E395 PolarHBondContact O-N 3.38Å
392E93.8Very high92.9Very high41 Ų4159 Ų5919%0.19231%0.309CS..Hα-helixtrans-54.9-50.3173.7179.5179.2101.400111.2R384 E388 W394 E395 Y396R384-E392 IonicContact CZ-OE1 3.49Å; R384-E392 IonicContact CZ-OE2 3.43Å; R384-E392 VanDerWaalsContact NH1-CD 3.29Å; R384-E392 IonicContact NH1-OE1 3.48Å; R384-E392 PolarHBondContact NH1-OE1 3.23Å; R384-E392 IonicContact NH1-OE2 3.27Å; R384-E392 PolarHBondContact NH1-OE2 3.12Å; R384-E392 IonicContact NH2-OE1 2.72Å; R384-E392 PolarHBondContact NH2-OE1 2.83Å; R384-E392 IonicContact NH2-OE2 3.98Å; E388-E392 VanDerWaalsContact O-CB 3.25Å; E388-E392 WeakPolarHBondContact O-CB 2.92Å; E388-E392 PolarHBondContact O-N 2.73Å; E392-W394 VanDerWaalsContact C-N 3.34Å; E392-W394 PolarHBondContact O-N 3.4Å; E392-E395 PolarHBondContact O-N 3.27Å; E392-Y396 HydrophobicContact CG-CD1 4.47Å; E392-Y396 HydrophobicContact CG-CD2 4.07Å; E392-Y396 HydrophobicContact CG-CE1 3.89Å; E392-Y396 HydrophobicContact CG-CE2 3.45Å; E392-Y396 VanDerWaalsContact CG-CE2 3.45Å; E392-Y396 WeakPolarHBondContact CG-OH 3.42Å; E392-Y396 WeakPolarHBondContact O-CB 3.33Å; E392-Y396 VanDerWaalsContact O-CD1 3.31Å; E392-Y396 WeakPolarHBondContact O-CD1 3.48Å; E392-Y396 PolarHBondContact O-N 2.88Å
393A93.6Very high93.6Very high24 Ų2453.1 Ų53.120%0.19828%0.278CS..Hα-helixtrans-62.6-38177.700000112.8V389 A390 N391 Y397 F429V389-A393 VanDerWaalsContact O-CB 3.26Å; V389-A393 WeakPolarHBondContact O-CB 3.49Å; V389-A393 PolarHBondContact O-N 2.76Å; A390-A393 PolarHBondContact O-N 3.2Å; N391-A393 PolarHBondContact O-N 3.47Å; A393-Y397 VanDerWaalsContact O-CB 3.29Å; A393-Y397 WeakPolarHBondContact O-CB 3.29Å; A393-Y397 PolarHBondContact O-N 2.87Å; A393-F429 HydrophobicContact CB-CB 3.98Å
394W94.6Very high94.3Very high31 Ų3150.6 Ų50.612%0.11725%0.246CC..Hα-helixtrans-72.2-39.4179-170.2-100.5000112.6A390 N391 E392 Y397 K398 H410 G411 Q412A390-W394 WeakPolarHBondContact O-CB 3.42Å; A390-W394 PolarHBondContact O-N 2.78Å; N391-W394 PolarHBondContact O-N 3.37Å; E392-W394 VanDerWaalsContact C-N 3.34Å; E392-W394 PolarHBondContact O-N 3.4Å; W394-Y397 HydrophobicContact CZ3-CD1 4.33Å; W394-Y397 PolarHBondContact O-N 3.25Å; W394-K398 PolarHBondContact O-N 3.11Å; W394-H410 HydrophobicContact CH2-CB 4.07Å; W394-H410 WeakPolarHBondContact CH2-O 3.35Å; W394-G411 WeakPolarHBondContact CZ3-O 3.5Å; W394-Q412 HydrophobicContact CE3-CB 4.04Å; W394-Q412 HydrophobicContact CE3-CG 4.21Å; W394-Q412 HydrophobicContact CZ3-CB 4.14Å
395E93.9Very high94.5Very high136 Ų13647 Ų4764%0.63623%0.233SC*.Hα-helixtrans-64.5-44.1172.4-73.6-174.116900111.2N391 E392 Y397 K398 S399N391-E395 WeakPolarHBondContact O-CB 3.14Å; N391-E395 WeakPolarHBondContact O-CG 3.36Å; N391-E395 PolarHBondContact O-N 3.38Å; E392-E395 PolarHBondContact O-N 3.27Å; E395-Y397 VanDerWaalsContact C-N 3.32Å; E395-Y397 PolarHBondContact O-N 3.08Å; E395-K398 PolarHBondContact O-N 3.03Å; E395-S399 WeakPolarHBondContact O-CB 3.33Å; E395-S399 PolarHBondContact O-N 2.56Å
396Y91.9Very high94.8Very high77 Ų7744 Ų4430%0.30221%0.213SC..Hα-helixtrans-61.7-41.8175.1-68.3-1.7000111.2I376 E392 S399I376-Y396 HydrophobicContact CD1-CD1 4.39Å; I376-Y396 HydrophobicContact CD1-CG 4.38Å; I376-Y396 HydrophobicContact CG2-CD2 3.76Å; I376-Y396 HydrophobicContact CG2-CE2 3.94Å; I376-Y396 HydrophobicContact CG2-CG 4.13Å; E392-Y396 HydrophobicContact CG-CD1 4.47Å; E392-Y396 HydrophobicContact CG-CD2 4.07Å; E392-Y396 HydrophobicContact CG-CE1 3.89Å; E392-Y396 HydrophobicContact CG-CE2 3.45Å; E392-Y396 VanDerWaalsContact CG-CE2 3.45Å; E392-Y396 WeakPolarHBondContact CG-OH 3.42Å; E392-Y396 WeakPolarHBondContact O-CB 3.33Å; E392-Y396 VanDerWaalsContact O-CD1 3.31Å; E392-Y396 WeakPolarHBondContact O-CD1 3.48Å; E392-Y396 PolarHBondContact O-N 2.88Å; Y396-S399 PolarHBondContact O-N 3.31Å; Y396-S399 PolarHBondContact O-OG 3.15Å
397Y94.3Very high94.9Very high39 Ų3944.4 Ų44.415%0.15322%0.215CC..Hα-helixtrans-60.6-52.2174.4-176.1-103.3000111.7A393 W394 E395 S399 R400 N401 V406 H410 P431A393-Y397 VanDerWaalsContact O-CB 3.29Å; A393-Y397 WeakPolarHBondContact O-CB 3.29Å; A393-Y397 PolarHBondContact O-N 2.87Å; W394-Y397 HydrophobicContact CZ3-CD1 4.33Å; W394-Y397 PolarHBondContact O-N 3.25Å; E395-Y397 VanDerWaalsContact C-N 3.32Å; E395-Y397 PolarHBondContact O-N 3.08Å; Y397-S399 VanDerWaalsContact C-N 3.27Å; Y397-S399 PolarHBondContact O-N 2.88Å; Y397-R400 PolarHBondContact O-N 2.84Å; Y397-R400 VanDerWaalsContact O-N 3.08Å; Y397-N401 HydrophobicContact CD1-CB 4.45Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.45Å; Y397-N401 HydrophobicContact CE1-CB 3.93Å; Y397-N401 HydrophobicContact CE2-CB 4.06Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.36Å; Y397-N401 WeakPolarHBondContact O-CB 3.39Å; Y397-N401 PolarHBondContact O-N 3.26Å; Y397-V406 HydrophobicContact CE1-CG1 4.07Å; Y397-V406 HydrophobicContact CE1-CG2 4.27Å; Y397-H410 AromaticContact CE1-ND1 3.68Å; Y397-H410 AromaticContact CZ-ND1 3.6Å; Y397-H410 PolarHBondContact OH-CE1 2.8Å; Y397-H410 PolarHBondContact OH-ND1 3.26Å; Y397-P431 HydrophobicContact CD1-CB 4.22Å; Y397-P431 HydrophobicContact CD2-CB 3.9Å; Y397-P431 HydrophobicContact CD2-CG 3.55Å; Y397-P431 HydrophobicContact CE1-CB 4.11Å; Y397-P431 HydrophobicContact CE2-CB 3.75Å; Y397-P431 HydrophobicContact CE2-CG 3.48Å; Y397-P431 VanDerWaalsContact CE2-CG 3.48Å; Y397-P431 HydrophobicContact CG-CB 4.13Å; Y397-P431 HydrophobicContact CG-CG 4.21Å
398K94.5Very high95.1Very high64 Ų6442.1 Ų42.128%0.27820%0.204SC..Hα-helixtrans-63.6-27.6177.6-84.6-146.4159.3-130.30113.8W394 E395 R400 N401 D402 D407W394-K398 PolarHBondContact O-N 3.11Å; E395-K398 PolarHBondContact O-N 3.03Å; K398-R400 PolarHBondContact O-N 3.08Å; K398-N401 WeakPolarHBondContact CA-O 3.36Å; K398-N401 PolarHBondContact O-N 2.87Å; K398-D402 IonicContact NZ-OD1 2.86Å; K398-D402 PolarHBondContact NZ-OD1 2.77Å; K398-D407 IonicContact NZ-OD1 2.88Å; K398-D407 PolarHBondContact NZ-OD1 3.13Å
399S93.5Very high95.3Very high43 Ų4337 Ų3730%0.30118%0.18SC..THydrogen-bonded Turntrans-65.3-17174.381.90000114.1I370 P374 E395 Y396 Y397I370-S399 WeakPolarHBondContact CG2-O 3.42Å; P374-S399 WeakPolarHBondContact CD-O 3.49Å; E395-S399 WeakPolarHBondContact O-CB 3.33Å; E395-S399 PolarHBondContact O-N 2.56Å; Y396-S399 PolarHBondContact O-N 3.31Å; Y396-S399 PolarHBondContact O-OG 3.15Å; Y397-S399 VanDerWaalsContact C-N 3.27Å; Y397-S399 PolarHBondContact O-N 2.88Å
400R94.1Very high95.5Very high79 Ų7937.7 Ų37.730%0.29818%0.182SC..THydrogen-bonded Turntrans-112.6-26.8178.2-68.2176.55676.25113N368 K373 P374 Y397 K398N368-R400 PolarHBondContact ND2-O 2.83Å; N368-R400 VanDerWaalsContact ND2-O 3.11Å; K373-R400 HydrophobicContact CB-CB 4.33Å; K373-R400 HydrophobicContact CB-CG 4.27Å; K373-R400 HydrophobicContact CD-CB 4.42Å; K373-R400 WeakPolarHBondContact CD-O 3.34Å; K373-R400 WeakPolarHBondContact CE-O 3.35Å; K373-R400 WeakPolarHBondContact CG-O 3.47Å; K373-R400 PolarHBondContact O-NH1 3.44Å; P374-R400 HydrophobicContact CG-CG 4.2Å; P374-R400 WeakPolarHBondContact O-CD 3.26Å; P374-R400 PolarHBondContact O-NH1 2.96Å; Y397-R400 PolarHBondContact O-N 2.84Å; Y397-R400 VanDerWaalsContact O-N 3.08Å; K398-R400 PolarHBondContact O-N 3.08Å
401N95.7Very high95.6Very high19 Ų1937.7 Ų37.710%0.10218%0.182CC..  trans-138.298.9-167.4-57.5-40.8000109.9H364 K373 Y397 K398 V406H364-N401 WeakPolarHBondContact NE2-CB 3.49Å; H364-N401 PolarHBondContact NE2-OD1 3Å; K373-N401 PolarHBondContact NZ-OD1 2.87Å; Y397-N401 HydrophobicContact CD1-CB 4.45Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.45Å; Y397-N401 HydrophobicContact CE1-CB 3.93Å; Y397-N401 HydrophobicContact CE2-CB 4.06Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.36Å; Y397-N401 WeakPolarHBondContact O-CB 3.39Å; Y397-N401 PolarHBondContact O-N 3.26Å; K398-N401 WeakPolarHBondContact CA-O 3.36Å; K398-N401 PolarHBondContact O-N 2.87Å; N401-V406 HydrophobicContact CB-CG2 4.26Å
402D96.8Very high95.8Very high37 Ų3734 Ų3420%0.19816%0.163CC..  trans-137.8118.2177.4-172.138.4000109.9N368 R369 I370 K398N368-D402 CarbonylContact C-O 3.53Å; N368-D402 WeakPolarHBondContact CA-O 3.45Å; N368-D402 PolarHBondContact OD1-N 2.99Å; N368-D402 VanDerWaalsContact OD1-N 3.12Å; N368-D402 PolarHBondContact OD1-O 2.9Å; R369-D402 HydrophobicContact CB-CB 4.4Å; R369-D402 WeakPolarHBondContact CB-O 3.32Å; R369-D402 WeakPolarHBondContact CD-OD2 3.34Å; R369-D402 WeakPolarHBondContact CG-O 3.48Å; R369-D402 PolarHBondContact N-O 3.34Å; R369-D402 IonicContact NH1-OD1 3.81Å; R369-D402 PolarHBondContact NH1-OD1 3.39Å; R369-D402 IonicContact NH1-OD2 3.79Å; R369-D402 PolarHBondContact NH1-OD2 3.29Å; I370-D402 HydrophobicContact CD1-CB 4.13Å; I370-D402 HydrophobicContact CG1-CB 4.02Å; K398-D402 IonicContact NZ-OD1 2.86Å; K398-D402 PolarHBondContact NZ-OD1 2.77Å
403S97.6Very high95.9Very high0 Ų032.8 Ų32.80%016%0.157CC..SBendtrans-167.8168.7-173.865.40000110H364 L367 I405 V406 D407H364-S403 PolarHBondContact ND1-OG 3.29Å; L367-S403 WeakPolarHBondContact O-CB 3.24Å; S403-I405 PolarHBondContact O-N 3.02Å; S403-I405 VanDerWaalsContact O-N 3.15Å; S403-I405 PolarHBondContact OG-N 3.29Å; S403-V406 PolarHBondContact O-N 3.05Å; S403-V406 VanDerWaalsContact O-N 3.12Å; S403-V406 PolarHBondContact OG-N 2.95Å; S403-D407 PolarHBondContact O-N 2.91Å
404I97.6Very high96Very high21 Ų2132.5 Ų32.511%0.10815%0.152CC..Hα-helixtrans-54.8-31.4171.4-169.559.8000113.4L284 Y287 L367 D407 L408L284-I404 HydrophobicContact CD1-CG2 4.49Å; Y287-I404 HydrophobicContact CD1-CB 4.31Å; Y287-I404 HydrophobicContact CD1-CG1 4.04Å; Y287-I404 HydrophobicContact CD1-CG2 4Å; Y287-I404 HydrophobicContact CD2-CB 4.2Å; Y287-I404 HydrophobicContact CD2-CD1 3.98Å; Y287-I404 HydrophobicContact CD2-CG1 3.88Å; Y287-I404 HydrophobicContact CE1-CB 4.03Å; Y287-I404 HydrophobicContact CE1-CG1 4.28Å; Y287-I404 HydrophobicContact CE1-CG2 3.54Å; Y287-I404 HydrophobicContact CE2-CB 3.91Å; Y287-I404 HydrophobicContact CE2-CD1 4.4Å; Y287-I404 HydrophobicContact CE2-CG1 4.13Å; Y287-I404 HydrophobicContact CE2-CG2 4.33Å; Y287-I404 HydrophobicContact CG-CB 4.37Å; Y287-I404 HydrophobicContact CG-CD1 4.24Å; Y287-I404 HydrophobicContact CG-CG1 3.81Å; L367-I404 HydrophobicContact CD1-CG2 3.88Å; I404-D407 PolarHBondContact O-N 2.79Å; I404-L408 HydrophobicContact CD1-CD1 3.92Å; I404-L408 HydrophobicContact CD1-CG 4.03Å; I404-L408 HydrophobicContact CG1-CD1 3.88Å; I404-L408 HydrophobicContact CG1-CG 4.33Å; I404-L408 WeakPolarHBondContact O-CB 3.36Å; I404-L408 WeakPolarHBondContact O-CG 3.36Å; I404-L408 PolarHBondContact O-N 3.46Å
405I98.1Very high96.1Very high0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-70.5-44.7178.7-56.1-56.1000110.5L284 L360 L363 H364 S403 D407 L408 F409L284-I405 HydrophobicContact CD1-CD1 3.8Å; L360-I405 HydrophobicContact CB-CG2 4.14Å; L360-I405 HydrophobicContact CD2-CD1 4.2Å; L360-I405 HydrophobicContact CD2-CG2 4.15Å; L363-I405 HydrophobicContact CB-CD1 3.96Å; L363-I405 HydrophobicContact CB-CG1 3.9Å; L363-I405 HydrophobicContact CD1-CD1 4.36Å; H364-I405 HydrophobicContact CB-CB 4.01Å; H364-I405 HydrophobicContact CB-CG1 4.26Å; H364-I405 HydrophobicContact CB-CG2 4.19Å; S403-I405 PolarHBondContact O-N 3.02Å; S403-I405 VanDerWaalsContact O-N 3.15Å; S403-I405 PolarHBondContact OG-N 3.29Å; I405-D407 VanDerWaalsContact C-N 3.3Å; I405-D407 PolarHBondContact O-N 2.84Å; I405-L408 PolarHBondContact O-N 2.67Å; I405-F409 HydrophobicContact CD1-CD2 4.37Å; I405-F409 HydrophobicContact CD1-CE2 4.26Å; I405-F409 HydrophobicContact CG2-CB 4.45Å; I405-F409 HydrophobicContact CG2-CD2 4.1Å; I405-F409 WeakPolarHBondContact O-CB 3.27Å; I405-F409 PolarHBondContact O-N 3.26Å
406V97.6Very high96.1Very high3 Ų325.3 Ų25.32%0.01812%0.121CC..Hα-helixtrans-62.1-38.9174.1174.70000111.3Y397 N401 S403 H410Y397-V406 HydrophobicContact CE1-CG1 4.07Å; Y397-V406 HydrophobicContact CE1-CG2 4.27Å; N401-V406 HydrophobicContact CB-CG2 4.26Å; S403-V406 PolarHBondContact O-N 3.05Å; S403-V406 VanDerWaalsContact O-N 3.12Å; S403-V406 PolarHBondContact OG-N 2.95Å; V406-H410 HydrophobicContact CG1-CB 4.32Å
407D96.9Very high96.2Very high64 Ų6422.3 Ų22.334%0.34211%0.11SC..Hα-helixtrans-68.9-35-179.8-62.8-33.6000112.6R369 K398 S403 I404 I405R369-D407 IonicContact CZ-OD2 3.56Å; R369-D407 VanDerWaalsContact CZ-OD2 3.27Å; R369-D407 IonicContact NH1-OD1 2.84Å; R369-D407 IonicContact NH1-OD2 2.73Å; R369-D407 PolarHBondContact NH1-OD2 3.01Å; R369-D407 IonicContact NH2-OD2 2.89Å; R369-D407 PolarHBondContact NH2-OD2 2.83Å; K398-D407 IonicContact NZ-OD1 2.88Å; K398-D407 PolarHBondContact NZ-OD1 3.13Å; S403-D407 PolarHBondContact O-N 2.91Å; I404-D407 PolarHBondContact O-N 2.79Å; I405-D407 VanDerWaalsContact C-N 3.3Å; I405-D407 PolarHBondContact O-N 2.84Å
408L97.5Very high96.3Very high15 Ų1522.7 Ų22.78%0.07912%0.115CC..Hα-helixtrans-93.3-46.7-176.4-68.2179.2000113.9A283 L284 I404 I405 P745 D746 V747A283-L408 HydrophobicContact CB-CD1 3.92Å; A283-L408 HydrophobicContact CB-CD2 3.67Å; A283-L408 HydrophobicContact CB-CG 4.49Å; L284-L408 HydrophobicContact CB-CD1 4.09Å; L284-L408 HydrophobicContact CD1-CD1 4.37Å; I404-L408 HydrophobicContact CD1-CD1 3.92Å; I404-L408 HydrophobicContact CD1-CG 4.03Å; I404-L408 HydrophobicContact CG1-CD1 3.88Å; I404-L408 HydrophobicContact CG1-CG 4.33Å; I404-L408 WeakPolarHBondContact O-CB 3.36Å; I404-L408 WeakPolarHBondContact O-CG 3.36Å; I404-L408 PolarHBondContact O-N 3.46Å; I405-L408 PolarHBondContact O-N 2.67Å; L408-P745 WeakPolarHBondContact O-CB 3.4Å; L408-D746 PolarHBondContact O-N 3.26Å; L408-D746 VanDerWaalsContact O-N 3.16Å; L408-V747 HydrophobicContact CB-CG2 4.07Å; L408-V747 HydrophobicContact CD2-CG2 4.42Å; L408-V747 PolarHBondContact O-N 2.73Å
409F98.1Very high96.2Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-105.5-16.4-164.9-65.2-91.5000114.3M278 V281 L284 L360 I405 P745 V747 V749M278-F409 HydrophobicContact CE-CE1 4.33Å; M278-F409 HydrophobicContact SD-CE1 3.92Å; M278-F409 HydrophobicContact SD-CZ 3.93Å; V281-F409 HydrophobicContact CG1-CZ 4.17Å; V281-F409 HydrophobicContact CG2-CZ 4.29Å; L284-F409 HydrophobicContact CD1-CE2 4.43Å; L284-F409 HydrophobicContact CD2-CE2 4.14Å; L284-F409 HydrophobicContact CD2-CZ 4.1Å; L360-F409 HydrophobicContact CD1-CD1 4.03Å; L360-F409 HydrophobicContact CD1-CE1 4.44Å; L360-F409 HydrophobicContact CD1-CG 4.26Å; L360-F409 HydrophobicContact CD2-CD1 4.2Å; L360-F409 HydrophobicContact CD2-CD2 3.95Å; L360-F409 HydrophobicContact CD2-CE1 4.09Å; L360-F409 HydrophobicContact CD2-CE2 3.85Å; L360-F409 HydrophobicContact CD2-CG 4.13Å; L360-F409 HydrophobicContact CD2-CZ 3.92Å; I405-F409 HydrophobicContact CD1-CD2 4.37Å; I405-F409 HydrophobicContact CD1-CE2 4.26Å; I405-F409 HydrophobicContact CG2-CB 4.45Å; I405-F409 HydrophobicContact CG2-CD2 4.1Å; I405-F409 WeakPolarHBondContact O-CB 3.27Å; I405-F409 PolarHBondContact O-N 3.26Å; F409-P745 VanDerWaalsContact O-CB 3.27Å; F409-P745 WeakPolarHBondContact O-CB 3.48Å; F409-P745 WeakPolarHBondContact O-CG 3.33Å; F409-V747 HydrophobicContact CD1-CB 3.91Å; F409-V747 HydrophobicContact CD1-CG1 3.85Å; F409-V747 HydrophobicContact CE1-CB 3.9Å; F409-V747 HydrophobicContact CE1-CG1 3.44Å; F409-V747 VanDerWaalsContact CE1-CG1 3.44Å; F409-V747 HydrophobicContact CG-CB 4.4Å; F409-V747 HydrophobicContact CZ-CB 4.37Å; F409-V747 HydrophobicContact CZ-CG1 4.06Å; F409-V749 HydrophobicContact CD1-CG2 3.84Å; F409-V749 HydrophobicContact CE1-CG2 3.93Å
410H97.8Very high96.2Very high18 Ų1820.6 Ų20.68%0.08311%0.107CC..  trans-92.4117.5-169.4-68-155.4000112.9W394 Y397 V406 F432W394-H410 HydrophobicContact CH2-CB 4.07Å; W394-H410 WeakPolarHBondContact CH2-O 3.35Å; Y397-H410 AromaticContact CE1-ND1 3.68Å; Y397-H410 AromaticContact CZ-ND1 3.6Å; Y397-H410 PolarHBondContact OH-CE1 2.8Å; Y397-H410 PolarHBondContact OH-ND1 3.26Å; V406-H410 HydrophobicContact CG1-CB 4.32Å; H410-F432 CarbonylContact C-O 3.58Å; H410-F432 VanDerWaalsContact CA-O 3.25Å; H410-F432 WeakPolarHBondContact CA-O 2.93Å
411G96.2Very high96.2Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-103.6-171.8166.600000112.1W394 P431 F432 K743W394-G411 WeakPolarHBondContact CZ3-O 3.5Å; G411-P431 WeakPolarHBondContact O-CA 3.49Å; G411-F432 VanDerWaalsContact CA-CE1 3.46Å; G411-F432 PolarHBondContact N-O 2.75Å; G411-F432 PolarHBondContact O-N 2.91Å; G411-K743 CarbonylContact C-O 3.35Å; G411-K743 VanDerWaalsContact CA-O 3.27Å; G411-K743 WeakPolarHBondContact CA-O 3.47Å
412Q97.1Very high96.1Very high4 Ų421.5 Ų21.52%0.01912%0.123CC..EExtended strand (participates in β ladder)trans-133.3131.3176.5-160.6174.726.800110A390 W394 F429 D430 F432 W742 K743A390-Q412 PolarHBondContact O-NE2 3.43Å; W394-Q412 HydrophobicContact CE3-CB 4.04Å; W394-Q412 HydrophobicContact CE3-CG 4.21Å; W394-Q412 HydrophobicContact CZ3-CB 4.14Å; Q412-F429 HydrophobicContact CG-CB 4.13Å; Q412-D430 CarbonylContact C-O 3.5Å; Q412-D430 WeakPolarHBondContact CA-O 3.48Å; Q412-F432 VanDerWaalsContact N-CE1 3.28Å; Q412-W742 WeakPolarHBondContact O-CB 3.28Å; Q412-W742 PolarHBondContact O-N 3.02Å; Q412-W742 VanDerWaalsContact O-N 3.1Å; Q412-K743 HydrophobicContact CB-CB 4.02Å; Q412-K743 PolarHBondContact N-O 3.13Å; Q412-K743 PolarHBondContact O-N 3.04Å
413L96.8Very high96Very high14 Ų1426 Ų267%0.07314%0.142CC..EExtended strand (participates in β ladder)trans-95.9151.8168.3-64.9178000109.5F429 D430 F432 L435 F712 F739 D740 L741L413-F429 CarbonylContact O-C 3.54Å; L413-F429 VanDerWaalsContact O-CA 3.24Å; L413-F429 WeakPolarHBondContact O-CA 3.25Å; L413-D430 PolarHBondContact N-O 3.24Å; L413-D430 PolarHBondContact O-N 2.92Å; L413-F432 HydrophobicContact CD1-CD1 4.47Å; L413-F432 HydrophobicContact CD2-CD1 4.04Å; L413-F432 HydrophobicContact CD2-CE1 4.02Å; L413-F432 HydrophobicContact CG-CD1 3.67Å; L413-F432 HydrophobicContact CG-CE1 4.15Å; L413-F432 HydrophobicContact CG-CG 4.38Å; L413-L435 HydrophobicContact CD1-CD2 4.49Å; L413-L435 HydrophobicContact CD2-CD2 4.07Å; L413-F712 HydrophobicContact CD1-CE1 4.44Å; L413-F712 HydrophobicContact CD1-CZ 3.93Å; L413-F712 HydrophobicContact CD2-CE1 3.91Å; L413-F712 HydrophobicContact CD2-CZ 4.2Å; L413-F739 HydrophobicContact CB-CD1 4.42Å; L413-F739 HydrophobicContact CD1-CD1 3.91Å; L413-F739 HydrophobicContact CD1-CE1 4.17Å; L413-F739 HydrophobicContact CD1-CG 4.42Å; L413-D740 WeakPolarHBondContact CA-O 3.25Å; L413-L741 HydrophobicContact CD2-CD2 3.69Å
414K96Very high95.6Very high18 Ų1829 Ų298%0.07815%0.153CC..EExtended strand (participates in β ladder)trans-99118.6161177.6-174.7-177.41800108.1D386 V427 F429 F739 D740 W742 L783D386-K414 WeakPolarHBondContact OD1-CE 3.41Å; D386-K414 IonicContact OD1-NZ 3.73Å; D386-K414 PolarHBondContact OD1-NZ 3.46Å; D386-K414 VanDerWaalsContact OD1-NZ 3.14Å; D386-K414 IonicContact OD2-NZ 2.76Å; D386-K414 PolarHBondContact OD2-NZ 3.31Å; K414-V427 HydrophobicContact CD-CG1 4.45Å; K414-V427 HydrophobicContact CG-CG1 3.97Å; K414-F429 HydrophobicContact CB-CD1 3.89Å; K414-F429 HydrophobicContact CB-CE1 3.57Å; K414-F429 HydrophobicContact CB-CZ 4.31Å; K414-F429 HydrophobicContact CD-CE1 3.94Å; K414-F429 HydrophobicContact CD-CZ 4.01Å; K414-F429 HydrophobicContact CG-CD1 4.21Å; K414-F429 HydrophobicContact CG-CE1 3.56Å; K414-F429 HydrophobicContact CG-CZ 3.79Å; K414-F739 CarbonylContact O-C 3.57Å; K414-F739 WeakPolarHBondContact O-CA 3.37Å; K414-D740 HydrophobicContact CB-CB 4.2Å; K414-D740 PolarHBondContact N-O 3.35Å; K414-D740 PolarHBondContact O-N 2.9Å; K414-W742 HydrophobicContact CB-CB 4.39Å; K414-W742 HydrophobicContact CB-CE3 4.49Å; K414-W742 HydrophobicContact CD-CE3 4.35Å; K414-L783 HydrophobicContact CD-CD1 4.07Å
415S95.3Very high95.4Very high4 Ų433.7 Ų33.73%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-101.6116.6177.3-63.30000109.3V427 T428 D430 F739S415-V427 WeakPolarHBondContact O-CA 3.42Å; S415-T428 WeakPolarHBondContact CB-OG1 3.4Å; S415-T428 PolarHBondContact N-O 3.45Å; S415-T428 PolarHBondContact O-N 3.1Å; S415-D430 WeakPolarHBondContact CB-OD2 3.24Å; S415-D430 PolarHBondContact OG-OD2 2.81Å; S415-F739 WeakPolarHBondContact OG-CD1 3.43Å; S415-F739 WeakPolarHBondContact OG-CE1 3.38Å
416T95.1Very high95.1Very high12 Ų1234.4 Ų34.47%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-107.8126.8174.5-620000109.6I418 K425 S426 V427 K737 K738T416-I418 HydrophobicContact CG2-CD1 4.43Å; T416-I418 HydrophobicContact CG2-CG1 4.18Å; T416-K425 HydrophobicContact CG2-CD 4.27Å; T416-K425 HydrophobicContact CG2-CG 3.95Å; T416-S426 WeakPolarHBondContact CA-O 3.44Å; T416-V427 HydrophobicContact CG2-CG2 4.5Å; T416-K737 CarbonylContact O-C 3.55Å; T416-K737 WeakPolarHBondContact O-CA 3.44Å; T416-K738 PolarHBondContact N-O 3.1Å; T416-K738 PolarHBondContact O-N 2.62Å
417V94.3Very high95Very high14 Ų1434.6 Ų34.69%0.08518%0.179CC..EExtended strand (participates in β ladder)trans-124.3131.7176.1-176.20000110.1K425 S426 W724 A735 T736 K737V417-K425 CarbonylContact O-C 3.57Å; V417-K425 WeakPolarHBondContact O-CA 3.41Å; V417-S426 PolarHBondContact N-O 3.03Å; V417-S426 PolarHBondContact O-N 3.41Å; V417-W724 HydrophobicContact CG1-CB 4.33Å; V417-W724 HydrophobicContact CG1-CD2 3.6Å; V417-W724 HydrophobicContact CG1-CE3 3.98Å; V417-W724 HydrophobicContact CG1-CG 3.76Å; V417-W724 HydrophobicContact CG1-CZ2 4.34Å; V417-W724 HydrophobicContact CG1-CZ3 4.46Å; V417-A735 HydrophobicContact CG1-CB 3.56Å; V417-T736 CarbonylContact C-O 3.51Å; V417-T736 WeakPolarHBondContact CA-O 3.32Å; V417-K737 HydrophobicContact CG2-CG 4.17Å
418I94.9Very high94.8Very high48 Ų4833.4 Ų33.425%0.24618%0.175CC..EExtended strand (participates in β ladder)trans-124125.3-177-52176.9000110.9T416 K425 A735 T736T416-I418 HydrophobicContact CG2-CD1 4.43Å; T416-I418 HydrophobicContact CG2-CG1 4.18Å; I418-K425 HydrophobicContact CG1-CB 4.45Å; I418-K425 HydrophobicContact CG1-CG 4.3Å; I418-A735 WeakPolarHBondContact O-CA 3.36Å; I418-A735 VanDerWaalsContact O-CB 3.3Å; I418-A735 WeakPolarHBondContact O-CB 3.46Å; I418-T736 PolarHBondContact N-O 2.94Å; I418-T736 PolarHBondContact O-N 2.77Å; I418-T736 VanDerWaalsContact O-N 3.1Å
419C94Very high94.7Very high0 Ų033.2 Ų33.20%017%0.173CC..  trans-76.7121177.5-176.20000112.4T421 Q423 R424 W724 C726C419-T421 VanDerWaalsContact C-N 3.26Å; C419-T421 PolarHBondContact O-N 3.49Å; C419-Q423 VanDerWaalsContact O-CA 3.22Å; C419-Q423 WeakPolarHBondContact O-CA 3.23Å; C419-Q423 PolarHBondContact O-N 3.08Å; C419-R424 PolarHBondContact N-O 3.04Å; C419-W724 HydrophobicContact CB-CZ3 4.05Å; C419-C726 HydrophobicContact CB-CB 4.45Å
420P93Very high94.5Very high63 Ų6336 Ų3641%0.40919%0.188SC..THydrogen-bonded Turntrans-64.6-28.4178.926.8-37.9000113.2Q423 P734P420-Q423 PolarHBondContact O-NE2 3.14Å; P420-P734 HydrophobicContact CG-CG 4.41Å; P420-P734 WeakPolarHBondContact CG-O 3.16Å
421T93.7Very high94.4Very high91 Ų9137.9 Ų37.956%0.55820%0.202SC*.THydrogen-bonded Turntrans-81.6-37.7-176.4-53.20000113.6C419 K733C419-T421 VanDerWaalsContact C-N 3.26Å; C419-T421 PolarHBondContact O-N 3.49Å; T421-K733 WeakPolarHBondContact OG1-CD 3.16Å; T421-K733 WeakPolarHBondContact OG1-CE 3.34Å; T421-K733 PolarHBondContact OG1-NZ 2.83Å
422C93.7Very high94.4Very high26 Ų2638.7 Ų38.718%0.17621%0.205CC..THydrogen-bonded Turntrans-126.93.7-172.674.40000114.7R424 R728C422-R424 PolarHBondContact O-N 3.33Å; C422-R728 PolarHBondContact O-NH1 3.41Å
423Q93.7Very high94.4Very high130 Ų13039.5 Ų39.561%0.60721%0.213SC*.  trans52.322.3179.6-57-60.1-27.500114.4C419 P420 K425C419-Q423 VanDerWaalsContact O-CA 3.22Å; C419-Q423 WeakPolarHBondContact O-CA 3.23Å; C419-Q423 PolarHBondContact O-N 3.08Å; P420-Q423 PolarHBondContact O-NE2 3.14Å; Q423-K425 PolarHBondContact O-N 2.86Å; Q423-K425 VanDerWaalsContact O-N 3.13Å
424R91.1Very high94.3Very high63 Ų6339.8 Ų39.824%0.23822%0.216CC..  trans-64.5115.9166.6177.1177.3175.5134.411.5107.6D380 D382 C419 C422 S727D380-R424 IonicContact OD2-CZ 3.51Å; D380-R424 IonicContact OD2-NE 2.67Å; D380-R424 IonicContact OD2-NH2 2.74Å; D380-R424 PolarHBondContact OD2-NH2 2.93Å; D382-R424 IonicContact OD1-CZ 2.69Å; D382-R424 IonicContact OD1-NH2 2.85Å; D382-R424 PolarHBondContact OD1-NH2 2.82Å; C419-R424 PolarHBondContact N-O 3.04Å; C422-R424 PolarHBondContact O-N 3.33Å; R424-S727 PolarHBondContact NH1-OG 3.33Å
425K92.5Very high94.4Very high121 Ų12139 Ų3953%0.52621%0.213SC..EExtended strand (participates in β ladder)trans-80.9132.1161.2-173.8177.4179.1178.70108.8T416 V417 I418 Q423 V427T416-K425 HydrophobicContact CG2-CD 4.27Å; T416-K425 HydrophobicContact CG2-CG 3.95Å; V417-K425 CarbonylContact O-C 3.57Å; V417-K425 WeakPolarHBondContact O-CA 3.41Å; I418-K425 HydrophobicContact CG1-CB 4.45Å; I418-K425 HydrophobicContact CG1-CG 4.3Å; Q423-K425 PolarHBondContact O-N 2.86Å; Q423-K425 VanDerWaalsContact O-N 3.13Å; K425-V427 HydrophobicContact CD-CG2 4.25Å; K425-V427 HydrophobicContact CG-CG2 3.99Å
426S92.8Very high94.4Very high14 Ų1442.5 Ų42.510%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-117136.5169.1-172.80000107.1D380 T416 V417D380-S426 WeakPolarHBondContact OD1-CA 3.38Å; D380-S426 PolarHBondContact OD1-OG 3.45Å; D380-S426 VanDerWaalsContact OD1-OG 3.13Å; D380-S426 WeakPolarHBondContact OD2-CB 3.31Å; D380-S426 PolarHBondContact OD2-OG 2.9Å; T416-S426 WeakPolarHBondContact CA-O 3.44Å; V417-S426 PolarHBondContact N-O 3.03Å; V417-S426 PolarHBondContact O-N 3.41Å
427V94.3Very high94.4Very high8 Ų841.9 Ų41.95%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-132120.8-178.9-176.90000108.9D380 S381 K414 S415 T416 K425 F429D380-V427 PolarHBondContact OD1-N 2.82Å; S381-V427 WeakPolarHBondContact CB-O 3.19Å; S381-V427 PolarHBondContact N-O 2.84Å; S381-V427 VanDerWaalsContact N-O 3.1Å; K414-V427 HydrophobicContact CD-CG1 4.45Å; K414-V427 HydrophobicContact CG-CG1 3.97Å; S415-V427 WeakPolarHBondContact O-CA 3.42Å; T416-V427 HydrophobicContact CG2-CG2 4.5Å; K425-V427 HydrophobicContact CD-CG2 4.25Å; K425-V427 HydrophobicContact CG-CG2 3.99Å; V427-F429 HydrophobicContact CG1-CE2 3.79Å; V427-F429 HydrophobicContact CG1-CZ 4.09Å
428T93.7Very high94.2Very high39 Ų3942.8 Ų42.824%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-125.216017755.40000110.4S415 D430S415-T428 WeakPolarHBondContact CB-OG1 3.4Å; S415-T428 PolarHBondContact N-O 3.45Å; S415-T428 PolarHBondContact O-N 3.1Å; T428-D430 PolarHBondContact OG1-OD2 2.96Å
429F95.2Very high93.7Very high11 Ų1140.8 Ų40.85%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-126.1102.2-178.5-70.4-91.1000110.5D386 V389 A390 A393 Q412 L413 K414 V427 W742D386-F429 HydrophobicContact CB-CZ 3.8Å; V389-F429 HydrophobicContact CB-CD2 4.03Å; V389-F429 HydrophobicContact CB-CE2 3.83Å; V389-F429 HydrophobicContact CG1-CD2 3.73Å; V389-F429 HydrophobicContact CG1-CE2 3.92Å; A390-F429 HydrophobicContact CB-CB 4.37Å; A390-F429 HydrophobicContact CB-CD1 3.47Å; A390-F429 VanDerWaalsContact CB-CD1 3.47Å; A390-F429 HydrophobicContact CB-CD2 4.11Å; A390-F429 HydrophobicContact CB-CE1 3.64Å; A390-F429 HydrophobicContact CB-CE2 4.26Å; A390-F429 HydrophobicContact CB-CG 3.72Å; A390-F429 HydrophobicContact CB-CZ 4.04Å; A393-F429 HydrophobicContact CB-CB 3.98Å; Q412-F429 HydrophobicContact CG-CB 4.13Å; L413-F429 CarbonylContact O-C 3.54Å; L413-F429 VanDerWaalsContact O-CA 3.24Å; L413-F429 WeakPolarHBondContact O-CA 3.25Å; K414-F429 HydrophobicContact CB-CD1 3.89Å; K414-F429 HydrophobicContact CB-CE1 3.57Å; K414-F429 HydrophobicContact CB-CZ 4.31Å; K414-F429 HydrophobicContact CD-CE1 3.94Å; K414-F429 HydrophobicContact CD-CZ 4.01Å; K414-F429 HydrophobicContact CG-CD1 4.21Å; K414-F429 HydrophobicContact CG-CE1 3.56Å; K414-F429 HydrophobicContact CG-CZ 3.79Å; V427-F429 HydrophobicContact CG1-CE2 3.79Å; V427-F429 HydrophobicContact CG1-CZ 4.09Å; F429-W742 HydrophobicContact CD1-CB 4.31Å; F429-W742 HydrophobicContact CD1-CD2 4.08Å; F429-W742 AromaticContact CD1-CG 3.96Å; F429-W742 HydrophobicContact CD1-CG 3.96Å; F429-W742 HydrophobicContact CE1-CB 4.46Å; F429-W742 AromaticContact CE1-CD2 3.56Å; F429-W742 HydrophobicContact CE1-CD2 3.56Å; F429-W742 AromaticContact CE1-CE3 3.62Å; F429-W742 HydrophobicContact CE1-CE3 3.62Å; F429-W742 AromaticContact CE1-CG 3.94Å; F429-W742 HydrophobicContact CE1-CG 3.94Å; F429-W742 HydrophobicContact CE1-CZ2 4.47Å; F429-W742 HydrophobicContact CE1-CZ3 4.1Å; F429-W742 HydrophobicContact CZ-CE3 4.44Å
430D93.9Very high92.6Very high59 Ų5945.5 Ų45.532%0.31624%0.244SC..EExtended strand (participates in β ladder)trans-104.8132.4-163.7-57.1-60000111.1Q412 L413 S415 T428Q412-D430 CarbonylContact C-O 3.5Å; Q412-D430 WeakPolarHBondContact CA-O 3.48Å; L413-D430 PolarHBondContact N-O 3.24Å; L413-D430 PolarHBondContact O-N 2.92Å; S415-D430 WeakPolarHBondContact CB-OD2 3.24Å; S415-D430 PolarHBondContact OG-OD2 2.81Å; T428-D430 PolarHBondContact OG1-OD2 2.96Å
431P95.8Very high91.2Very high57 Ų5744 Ų4437%0.3723%0.232SC..EExtended strand (participates in β ladder)trans-71.4146.8175.732.5-36.9000111Y397 G411Y397-P431 HydrophobicContact CD1-CB 4.22Å; Y397-P431 HydrophobicContact CD2-CB 3.9Å; Y397-P431 HydrophobicContact CD2-CG 3.55Å; Y397-P431 HydrophobicContact CE1-CB 4.11Å; Y397-P431 HydrophobicContact CE2-CB 3.75Å; Y397-P431 HydrophobicContact CE2-CG 3.48Å; Y397-P431 VanDerWaalsContact CE2-CG 3.48Å; Y397-P431 HydrophobicContact CG-CB 4.13Å; Y397-P431 HydrophobicContact CG-CG 4.21Å; G411-P431 WeakPolarHBondContact O-CA 3.49Å
432F96.3Very high89.3Confident17 Ų1743.1 Ų43.18%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-138143.4173.773.6-90.5000111.6H410 G411 Q412 L413 L435 L744 P745 L748H410-F432 CarbonylContact C-O 3.58Å; H410-F432 VanDerWaalsContact CA-O 3.25Å; H410-F432 WeakPolarHBondContact CA-O 2.93Å; G411-F432 VanDerWaalsContact CA-CE1 3.46Å; G411-F432 PolarHBondContact N-O 2.75Å; G411-F432 PolarHBondContact O-N 2.91Å; Q412-F432 VanDerWaalsContact N-CE1 3.28Å; L413-F432 HydrophobicContact CD1-CD1 4.47Å; L413-F432 HydrophobicContact CD2-CD1 4.04Å; L413-F432 HydrophobicContact CD2-CE1 4.02Å; L413-F432 HydrophobicContact CG-CD1 3.67Å; L413-F432 HydrophobicContact CG-CE1 4.15Å; L413-F432 HydrophobicContact CG-CG 4.38Å; F432-L435 HydrophobicContact CD1-CD2 4.27Å; F432-L435 HydrophobicContact CD2-CD2 3.53Å; F432-L435 HydrophobicContact CD2-CG 3.93Å; F432-L435 HydrophobicContact CE1-CD2 4.23Å; F432-L435 HydrophobicContact CE2-CD1 4.24Å; F432-L435 HydrophobicContact CE2-CD2 3.55Å; F432-L435 HydrophobicContact CE2-CG 3.63Å; F432-L435 HydrophobicContact CG-CD2 3.91Å; F432-L435 HydrophobicContact CZ-CD1 4.41Å; F432-L435 HydrophobicContact CZ-CD2 3.9Å; F432-L435 HydrophobicContact CZ-CG 4.2Å; F432-L744 HydrophobicContact CZ-CD2 3.88Å; F432-P745 HydrophobicContact CE2-CG 4.32Å; F432-L748 HydrophobicContact CE2-CD1 3.99Å; F432-L748 HydrophobicContact CZ-CD1 4.45Å
433A95.7Very high87.6Confident21 Ų2144.6 Ų44.617%0.17423%0.228CC..SBendtrans-101.5-18.3173.400000113.4L360L360-A433 HydrophobicContact CD1-CB 4.42Å
434S96.4Very high86.1Confident20 Ų2041.3 Ų41.314%0.1421%0.212CC..SBendtrans-151.3158.3172.364.20000110.1H353 V749H353-S434 PolarHBondContact NE2-OG 2.69Å; S434-V749 CarbonylContact C-O 3.54Å; S434-V749 VanDerWaalsContact CA-O 3.31Å; S434-V749 WeakPolarHBondContact CA-O 3.27Å; S434-V749 WeakPolarHBondContact CB-O 3.35Å
435L96.7Very high85Confident2 Ų239.4 Ų39.41%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-106.5137173.5-63.3179.9000110.2L413 F432 L437 F709 F712 L741 L748 V749 V750 Q751L413-L435 HydrophobicContact CD1-CD2 4.49Å; L413-L435 HydrophobicContact CD2-CD2 4.07Å; F432-L435 HydrophobicContact CD1-CD2 4.27Å; F432-L435 HydrophobicContact CD2-CD2 3.53Å; F432-L435 HydrophobicContact CD2-CG 3.93Å; F432-L435 HydrophobicContact CE1-CD2 4.23Å; F432-L435 HydrophobicContact CE2-CD1 4.24Å; F432-L435 HydrophobicContact CE2-CD2 3.55Å; F432-L435 HydrophobicContact CE2-CG 3.63Å; F432-L435 HydrophobicContact CG-CD2 3.91Å; F432-L435 HydrophobicContact CZ-CD1 4.41Å; F432-L435 HydrophobicContact CZ-CD2 3.9Å; F432-L435 HydrophobicContact CZ-CG 4.2Å; L435-L437 HydrophobicContact CB-CD2 4.32Å; L435-F709 HydrophobicContact CD1-CE1 3.84Å; L435-F712 HydrophobicContact CD2-CE1 4.21Å; L435-F712 HydrophobicContact CD2-CZ 3.97Å; L435-L741 HydrophobicContact CD1-CD2 3.99Å; L435-L748 HydrophobicContact CD1-CD1 3.92Å; L435-L748 HydrophobicContact CG-CD1 4.21Å; L435-V749 PolarHBondContact N-O 3.11Å; L435-V750 CarbonylContact O-C 3.56Å; L435-V750 WeakPolarHBondContact O-CA 3.2Å; L435-Q751 PolarHBondContact O-N 3.13Å
436I95.4Very high84.1Confident76 Ų7634.4 Ų34.439%0.3919%0.185SC..EExtended strand (participates in β ladder)trans-105.8100.1174.6-54.5-178.6000107.5F712 Q751 K753I436-F712 WeakPolarHBondContact O-CD2 3.44Å; I436-Q751 HydrophobicContact CG1-CB 4.43Å; I436-Q751 VanDerWaalsContact CG1-OE1 3.26Å; I436-Q751 VanDerWaalsContact CG2-OE1 3.22Å; I436-K753 HydrophobicContact CG2-CB 4.06Å; I436-K753 HydrophobicContact CG2-CD 4.11Å; I436-K753 HydrophobicContact CG2-CG 4.24Å
437L94.8Very high83.4Confident0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-88129.3-176.6-59.1-176.8000110.9L435 L705 C708 F709 F712 V750 Q751 K753L435-L437 HydrophobicContact CB-CD2 4.32Å; L437-L705 HydrophobicContact CD1-CD1 3.77Å; L437-C708 HydrophobicContact CB-CB 4.06Å; L437-C708 HydrophobicContact CD1-CB 4.2Å; L437-F709 HydrophobicContact CD1-CD1 4.09Å; L437-F709 HydrophobicContact CD1-CD2 3.99Å; L437-F709 HydrophobicContact CD1-CE1 4.01Å; L437-F709 HydrophobicContact CD1-CE2 3.89Å; L437-F709 HydrophobicContact CD1-CG 4.07Å; L437-F709 HydrophobicContact CD1-CZ 3.91Å; L437-F709 HydrophobicContact CD2-CD1 3.96Å; L437-F709 HydrophobicContact CD2-CE1 4.11Å; L437-F712 HydrophobicContact CD2-CB 3.62Å; L437-F712 HydrophobicContact CD2-CD1 4.31Å; L437-F712 HydrophobicContact CD2-CD2 3.9Å; L437-F712 HydrophobicContact CD2-CG 3.68Å; L437-V750 HydrophobicContact CD1-CG1 3.41Å; L437-V750 VanDerWaalsContact CD1-CG1 3.41Å; L437-V750 HydrophobicContact CG-CG1 3.74Å; L437-Q751 PolarHBondContact N-O 3.12Å; L437-K753 VanDerWaalsContact O-CB 3.22Å; L437-K753 WeakPolarHBondContact O-CB 3.45Å; L437-K753 PolarHBondContact O-N 3.46Å
438P90.9Very high82.8Confident32 Ų3238.4 Ų38.421%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-71133.2176.330.3-33.6000110.5R711P438-R711 HydrophobicContact CG-CB 4.12Å; P438-R711 HydrophobicContact CG-CG 3.9Å
439I85.4Confident82.3Confident7 Ų736.5 Ų36.54%0.03619%0.185CC..  trans-100.4111.3168.4-49.3171.7000107.8L703 L752 R754 R756 I765 L769I439-L703 HydrophobicContact CG2-CD1 3.72Å; I439-L752 HydrophobicContact CD1-CB 3.8Å; I439-L752 HydrophobicContact CG1-CB 4.42Å; I439-R754 HydrophobicContact CD1-CB 4.43Å; I439-R754 HydrophobicContact CD1-CG 3.49Å; I439-R754 VanDerWaalsContact CD1-CG 3.49Å; I439-R756 PolarHBondContact O-NH2 3.24Å; I439-I765 HydrophobicContact CB-CD1 3.75Å; I439-I765 HydrophobicContact CG2-CD1 4.15Å; I439-I765 HydrophobicContact CG2-CG2 3.94Å; I439-I765 WeakPolarHBondContact O-CD1 3.5Å; I439-L769 HydrophobicContact CD1-CD1 4.21Å; I439-L769 HydrophobicContact CG1-CD1 4.1Å
440Q69.4Low81.9Confident99 Ų9937 Ų3746%0.46319%0.187SC..  trans-108.1121168.8-69.9-174.14.200108.2V442 R711Q440-V442 PolarHBondContact O-N 3.27Å; Q440-R711 VanDerWaalsContact CD-NE 3.25Å; Q440-R711 VanDerWaalsContact OE1-CZ 3.29Å
441E63.1Low81.5Confident31 Ų3134.1 Ų34.115%0.14517%0.172CC..  trans-77.4103.9176.9-64.7159.6102.800107.9Y443 L703 R756 I765 T767E441-Y443 VanDerWaalsContact C-N 3.28Å; E441-Y443 HydrophobicContact CB-CD1 4.14Å; E441-Y443 HydrophobicContact CB-CD2 4.36Å; E441-Y443 HydrophobicContact CB-CE1 3.56Å; E441-Y443 HydrophobicContact CB-CE2 3.85Å; E441-Y443 VanDerWaalsContact CB-CZ 3.43Å; E441-Y443 HydrophobicContact CG-CE1 4.28Å; E441-Y443 PolarHBondContact O-N 2.88Å; E441-Y443 PolarHBondContact OE1-OH 2.84Å; E441-Y443 PolarHBondContact OE2-OH 3.34Å; E441-Y443 VanDerWaalsContact OE2-OH 3.14Å; E441-L703 HydrophobicContact CG-CD1 4.17Å; E441-R756 IonicContact OE2-CZ 2.73Å; E441-R756 IonicContact OE2-NH1 2.66Å; E441-R756 PolarHBondContact OE2-NH1 3.4Å; E441-R756 IonicContact OE2-NH2 3.18Å; E441-R756 PolarHBondContact OE2-NH2 3.03Å; E441-I765 HydrophobicContact CG-CG2 3.88Å; E441-T767 PolarHBondContact OE1-OG1 2.92Å
442V54.5Low81.1Confident73 Ų7331.7 Ų31.744%0.44216%0.155SC..  trans-75.886.9173.4-174.50000107.6Q440 K444Q440-V442 PolarHBondContact O-N 3.27Å; V442-K444 PolarHBondContact O-N 2.8Å
443Y57.9Low80.4Confident57 Ų5731.2 Ų31.222%0.22415%0.153CC..EExtended strand (participates in β ladder)trans-75.5113.6175.1-58.5-55.6000109.6E441 Y445 S469 R698E441-Y443 VanDerWaalsContact C-N 3.28Å; E441-Y443 HydrophobicContact CB-CD1 4.14Å; E441-Y443 HydrophobicContact CB-CD2 4.36Å; E441-Y443 HydrophobicContact CB-CE1 3.56Å; E441-Y443 HydrophobicContact CB-CE2 3.85Å; E441-Y443 VanDerWaalsContact CB-CZ 3.43Å; E441-Y443 HydrophobicContact CG-CE1 4.28Å; E441-Y443 PolarHBondContact O-N 2.88Å; E441-Y443 PolarHBondContact OE1-OH 2.84Å; E441-Y443 PolarHBondContact OE2-OH 3.34Å; E441-Y443 VanDerWaalsContact OE2-OH 3.14Å; Y443-Y445 VanDerWaalsContact CB-CE2 3.44Å; Y443-Y445 WeakPolarHBondContact CB-OH 3.31Å; Y443-Y445 WeakPolarHBondContact O-CD2 3.49Å; Y443-Y445 WeakPolarHBondContact O-CE2 3.2Å; Y443-S469 CarbonylContact O-C 3.56Å; Y443-R698 VanDerWaalsContact CD1-CZ 3.42Å; Y443-R698 PolarHBondContact OH-NH2 3.03Å
444K62.2Low79.7Confident61 Ų6131.9 Ų31.927%0.26515%0.151SC..EExtended strand (participates in β ladder)trans-88.7138.8165.5-76-179.6179.5158.70109.4V442 T467 L468 L699 E701V442-K444 PolarHBondContact O-N 2.8Å; K444-T467 HydrophobicContact CB-CG2 4.33Å; K444-T467 HydrophobicContact CD-CG2 4.23Å; K444-T467 HydrophobicContact CG-CG2 4.39Å; K444-L468 CarbonylContact C-O 3.55Å; K444-L468 VanDerWaalsContact CA-O 3.29Å; K444-L468 WeakPolarHBondContact CA-O 3.29Å; K444-L699 HydrophobicContact CB-CB 4Å; K444-L699 PolarHBondContact N-O 2.98Å; K444-L699 PolarHBondContact O-N 2.85Å; K444-E701 HydrophobicContact CD-CG 4.16Å; K444-E701 WeakPolarHBondContact CD-OE2 3.38Å; K444-E701 WeakPolarHBondContact CE-OE2 3.17Å; K444-E701 IonicContact NZ-OE1 3.56Å; K444-E701 PolarHBondContact NZ-OE1 3.14Å; K444-E701 IonicContact NZ-OE2 3.08Å; K444-E701 PolarHBondContact NZ-OE2 3.39Å
445Y68Low78.4Confident23 Ų2338.7 Ų38.79%0.0918%0.179CC..EExtended strand (participates in β ladder)trans-121.5116.8177.7-59.5-95.5000108.5Y443 T467 L468 T470 I471 P472 V696 T697 R698Y443-Y445 VanDerWaalsContact CB-CE2 3.44Å; Y443-Y445 WeakPolarHBondContact CB-OH 3.31Å; Y443-Y445 WeakPolarHBondContact O-CD2 3.49Å; Y443-Y445 WeakPolarHBondContact O-CE2 3.2Å; Y445-T467 WeakPolarHBondContact O-CA 3.28Å; Y445-L468 PolarHBondContact N-O 2.85Å; Y445-L468 PolarHBondContact O-N 2.76Å; Y445-T470 WeakPolarHBondContact CD2-O 3.29Å; Y445-T470 WeakPolarHBondContact CE2-O 3.38Å; Y445-I471 HydrophobicContact CE2-CG1 4.31Å; Y445-P472 HydrophobicContact CD1-CG 4.08Å; Y445-P472 HydrophobicContact CD2-CG 4.43Å; Y445-P472 HydrophobicContact CG-CG 3.78Å; Y445-V696 HydrophobicContact CD1-CG1 4.08Å; Y445-T697 WeakPolarHBondContact CA-O 3.46Å; Y445-R698 HydrophobicContact CD1-CB 4.42Å; Y445-R698 HydrophobicContact CD1-CG 4.28Å; Y445-R698 HydrophobicContact CE1-CB 4.44Å; Y445-R698 HydrophobicContact CE1-CG 3.98Å
446T73.9Confident76.5Confident16 Ų1640.2 Ų40.210%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-85.7115.7171.2-58.10000107.9E465 L466 V696 T697 L699T446-E465 VanDerWaalsContact CG2-CD 3.47Å; T446-E465 HydrophobicContact CG2-CG 3.3Å; T446-E465 WeakPolarHBondContact CG2-OE1 3.28Å; T446-L466 CarbonylContact C-O 3.58Å; T446-L466 WeakPolarHBondContact CA-O 3.24Å; T446-V696 WeakPolarHBondContact O-CA 3.33Å; T446-T697 PolarHBondContact N-O 2.93Å; T446-T697 PolarHBondContact O-N 3.37Å; T446-L699 WeakPolarHBondContact OG1-CD1 3.44Å; T446-L699 WeakPolarHBondContact OG1-CG 3.2Å
447V77.4Confident74.5Confident0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-118.3120.6-172.6-179.30000110.6V449 E465 L466 L468 P472 L508 P695 V696V447-V449 HydrophobicContact CG1-CG2 3.9Å; V447-E465 CarbonylContact O-C 3.5Å; V447-E465 WeakPolarHBondContact O-CA 3.46Å; V447-L466 PolarHBondContact N-O 3.32Å; V447-L466 PolarHBondContact O-N 3.27Å; V447-L468 HydrophobicContact CB-CD1 4.4Å; V447-L468 HydrophobicContact CG2-CD1 3.74Å; V447-P472 HydrophobicContact CG2-CB 3.92Å; V447-P472 HydrophobicContact CG2-CG 3.55Å; V447-L508 HydrophobicContact CG1-CD2 3.34Å; V447-P695 CarbonylContact C-O 3.47Å; V447-P695 VanDerWaalsContact CA-O 3.29Å; V447-P695 WeakPolarHBondContact CA-O 3.41Å; V447-V696 HydrophobicContact CG1-CG2 4.27Å; V447-V696 HydrophobicContact CG2-CG1 4.2Å; V447-V696 HydrophobicContact CG2-CG2 4.03Å
448R83.1Confident72.5Confident105 Ų10552.5 Ų52.540%0.39625%0.248SC..EExtended strand (participates in β ladder)trans-88.3105.4175.2-77.9-176.5176.1-1780.6110.1L463 L464 E465 P695R448-L463 HydrophobicContact CB-CD1 3.96Å; R448-L463 HydrophobicContact CG-CD1 4.3Å; R448-L464 WeakPolarHBondContact CA-O 3.42Å; R448-E465 HydrophobicContact CG-CG 4.29Å; R448-E465 IonicContact CZ-OE2 3.78Å; R448-E465 IonicContact NE-OE2 3.55Å; R448-E465 PolarHBondContact NE-OE2 3.17Å; R448-E465 IonicContact NH2-OE2 3.29Å; R448-E465 PolarHBondContact NH2-OE2 2.75Å; R448-P695 PolarHBondContact N-O 3.2Å
449V83.5Confident70.9Confident0 Ų053.9 Ų53.90%026%0.259CS..EExtended strand (participates in β ladder)trans-104124.5178.8-171.70000109.4V447 V451 L464 L466 I477 L481 L508 A510V447-V449 HydrophobicContact CG1-CG2 3.9Å; V449-V451 HydrophobicContact CG1-CG2 4.27Å; V449-L464 PolarHBondContact N-O 3.36Å; V449-L464 PolarHBondContact O-N 2.83Å; V449-L466 HydrophobicContact CG2-CD1 3.65Å; V449-L466 HydrophobicContact CG2-CG 4.2Å; V449-I477 HydrophobicContact CG2-CG2 3.74Å; V449-L481 HydrophobicContact CG1-CD2 4.42Å; V449-L508 HydrophobicContact CG2-CD2 3.91Å; V449-L508 HydrophobicContact CG2-CG 4.45Å; V449-A510 HydrophobicContact CG1-CB 3.72Å
450Y85.2Confident70Confident20 Ų2060 Ų608%0.07829%0.287CS..EExtended strand (participates in β ladder)trans-87.8110.5166.7-71.1-88.8000109.5L461 L462 L463 L508 I509 A510 H690 I691 Q692Y450-L461 HydrophobicContact CD1-CB 4.06Å; Y450-L461 HydrophobicContact CD1-CD1 4.08Å; Y450-L461 HydrophobicContact CG-CD1 4.44Å; Y450-L462 CarbonylContact C-O 3.52Å; Y450-L462 WeakPolarHBondContact CA-O 3.34Å; Y450-L463 HydrophobicContact CD1-CB 4.4Å; Y450-L463 HydrophobicContact CD1-CD1 4.28Å; Y450-L463 HydrophobicContact CD2-CD1 4.29Å; Y450-L463 HydrophobicContact CE1-CB 4.28Å; Y450-L463 HydrophobicContact CE1-CD1 4.09Å; Y450-L463 HydrophobicContact CE2-CD1 4.09Å; Y450-L463 HydrophobicContact CG-CD1 4.39Å; Y450-L508 PolarHBondContact N-O 2.96Å; Y450-I509 CarbonylContact O-C 3.55Å; Y450-I509 VanDerWaalsContact O-CA 3.25Å; Y450-I509 WeakPolarHBondContact O-CA 3.35Å; Y450-I509 WeakPolarHBondContact O-CG2 3.48Å; Y450-A510 PolarHBondContact O-N 3.12Å; Y450-H690 PolarHBondContact OH-O 3.27Å; Y450-I691 HydrophobicContact CD1-CG1 4.39Å; Y450-I691 HydrophobicContact CD2-CG2 4.03Å; Y450-I691 HydrophobicContact CE1-CG1 4.47Å; Y450-I691 HydrophobicContact CE2-CB 4.48Å; Y450-I691 HydrophobicContact CE2-CG2 3.86Å; Y450-I691 HydrophobicContact CG-CG1 4.46Å; Y450-Q692 PolarHBondContact OH-N 3.46Å
451V87Confident70.4Confident0 Ų056.2 Ų56.20%027%0.27CS..EExtended strand (participates in β ladder)trans-89.9129.2177.2-1730000110V449 P453 L462 L464 L481 Y493 A510V449-V451 HydrophobicContact CG1-CG2 4.27Å; V451-P453 VanDerWaalsContact O-CD 3.28Å; V451-P453 WeakPolarHBondContact O-CD 3.33Å; V451-L462 HydrophobicContact CB-CB 4.26Å; V451-L462 PolarHBondContact N-O 3.31Å; V451-L462 PolarHBondContact O-N 2.93Å; V451-L464 HydrophobicContact CG2-CD1 3.9Å; V451-L464 HydrophobicContact CG2-CG 4.46Å; V451-L481 HydrophobicContact CG2-CD1 3.68Å; V451-L481 HydrophobicContact CG2-CD2 4.09Å; V451-Y493 HydrophobicContact CG1-CD1 4.32Å; V451-Y493 HydrophobicContact CG1-CE1 3.6Å; V451-A510 CarbonylContact C-O 3.59Å; V451-A510 WeakPolarHBondContact CA-O 3.47Å
452W85.6Confident71.3Confident6 Ų658.2 Ų58.22%0.02328%0.281CS..EExtended strand (participates in β ladder)trans-106.394.4175.8-156.1-12.1000111L461 A510 Y511 E512 F534 I536 R565 I569 L684 I687W452-L461 HydrophobicContact CB-CD2 3.56Å; W452-L461 HydrophobicContact CD2-CD2 3.85Å; W452-L461 HydrophobicContact CE3-CD2 4.38Å; W452-L461 HydrophobicContact CG-CD2 3.51Å; W452-A510 PolarHBondContact N-O 3.07Å; W452-Y511 HydrophobicContact CE3-CD1 4.03Å; W452-Y511 AromaticContact CE3-CE1 3.48Å; W452-Y511 HydrophobicContact CE3-CE1 3.48Å; W452-Y511 VanDerWaalsContact CE3-CE1 3.48Å; W452-Y511 AromaticContact CZ3-CE1 3.86Å; W452-Y511 HydrophobicContact CZ3-CE1 3.86Å; W452-E512 PolarHBondContact O-N 2.86Å; W452-E512 VanDerWaalsContact O-N 3.07Å; W452-F534 HydrophobicContact CE3-CE1 4.25Å; W452-F534 HydrophobicContact CE3-CZ 4.47Å; W452-F534 HydrophobicContact CH2-CD1 4.32Å; W452-F534 AromaticContact CH2-CE1 3.62Å; W452-F534 HydrophobicContact CH2-CE1 3.62Å; W452-F534 HydrophobicContact CZ3-CD1 4.13Å; W452-F534 AromaticContact CZ3-CE1 3.31Å; W452-F534 HydrophobicContact CZ3-CE1 3.31Å; W452-F534 AromaticContact CZ3-CZ 3.93Å; W452-F534 HydrophobicContact CZ3-CZ 3.93Å; W452-I536 HydrophobicContact CH2-CG2 3.93Å; W452-I536 HydrophobicContact CZ3-CG2 4.35Å; W452-R565 VanDerWaalsContact CG-NH2 3.35Å; W452-R565 PolarHBondContact O-NH2 2.85Å; W452-I569 VanDerWaalsContact CE2-CG2 3.48Å; W452-I569 HydrophobicContact CH2-CD1 4.46Å; W452-I569 HydrophobicContact CZ2-CB 4.02Å; W452-I569 HydrophobicContact CZ2-CD1 3.89Å; W452-I569 HydrophobicContact CZ2-CG2 3.57Å; W452-L684 HydrophobicContact CH2-CD2 3.98Å; W452-I687 HydrophobicContact CH2-CD1 4.16Å; W452-I687 HydrophobicContact CH2-CG2 4.48Å; W452-I687 HydrophobicContact CZ2-CD1 3.5Å; W452-I687 VanDerWaalsContact CZ2-CD1 3.5Å; W452-I687 HydrophobicContact CZ2-CG2 4.49Å
453P82.4Confident72.8Confident6 Ų658.7 Ų58.74%0.03928%0.281CS..  trans-67.1151.8-168.226-36.6000114.4V451 E512V451-P453 VanDerWaalsContact O-CD 3.28Å; V451-P453 WeakPolarHBondContact O-CD 3.33Å; P453-E512 VanDerWaalsContact CA-OE2 3.25Å; P453-E512 WeakPolarHBondContact CA-OE2 3.25Å; P453-E512 WeakPolarHBondContact CB-OE2 3.39Å
454W80.5Confident74.1Confident35 Ų3557.9 Ų57.913%0.13328%0.281CS..SBendtrans-77.7-32178-178.7-112.7000113.2E512 T514 D564 R565 A568W454-E512 HydrophobicContact CB-CB 4.34Å; W454-E512 HydrophobicContact CB-CG 4.02Å; W454-E512 PolarHBondContact N-OE2 3.03Å; W454-T514 HydrophobicContact CD2-CG2 4.37Å; W454-T514 HydrophobicContact CZ2-CG2 3.94Å; W454-D564 HydrophobicContact CH2-CB 4.27Å; W454-D564 HydrophobicContact CZ2-CB 4.45Å; W454-R565 HydrophobicContact CZ3-CB 4.48Å; W454-A568 WeakPolarHBondContact O-CB 2.81Å
455K69.3Low75.2Confident163 Ų16360 Ų6071%0.70929%0.291SS*.SBendtrans-129.594173.3-69.1179.6179.6171.80109.9L488K455-L488 HydrophobicContact CB-CD1 3.82Å; K455-L488 HydrophobicContact CD-CD1 4.45Å; K455-L488 HydrophobicContact CG-CD1 4.27Å
456S56.8Low76Confident34 Ų3459.1 Ų59.124%0.23829%0.288CS..  trans-130.4117.2166.5-1750000110.7K458S456-K458 WeakPolarHBondContact CB-O 3.33Å; S456-K458 PolarHBondContact O-N 2.94Å; S456-K458 PolarHBondContact OG-N 3Å; S456-K458 PolarHBondContact OG-O 2.88Å
457N52.8Low76.3Confident178 Ų17862.6 Ų62.695%0.95231%0.31SS*.SBendtrans-75.526.1170.9-153.912.1000112.1
458K54.3Low76Confident156 Ų15663.2 Ų63.268%0.67831%0.313SS*.SBendtrans-149.9111.6-178.1-62.1-175.9-179.1-178.20107.1S456 Q460S456-K458 WeakPolarHBondContact CB-O 3.33Å; S456-K458 PolarHBondContact O-N 2.94Å; S456-K458 PolarHBondContact OG-N 3Å; S456-K458 PolarHBondContact OG-O 2.88Å; K458-Q460 PolarHBondContact O-N 3.24Å
459S55.9Low75.1Confident61 Ų6162.4 Ų62.443%0.42732%0.323SS..  trans-71.751.7-172.5-56.30000114.6I569S459-I569 WeakPolarHBondContact CB-O 3.32Å; S459-I569 PolarHBondContact OG-O 2.8Å
460Q66.9Low74.3Confident135 Ų13565.4 Ų65.463%0.63134%0.342SS*.  trans-127.1131.8-170.5-167.8172.410.100110.8K458K458-Q460 PolarHBondContact O-N 3.24Å
461L77.2Confident73.5Confident21 Ų2170.4 Ų70.411%0.1137%0.368CS..PPolyproline II helixtrans-67.2136.9168.3-66.4172.9000109.7Y450 W452 I687 I691Y450-L461 HydrophobicContact CD1-CB 4.06Å; Y450-L461 HydrophobicContact CD1-CD1 4.08Å; Y450-L461 HydrophobicContact CG-CD1 4.44Å; W452-L461 HydrophobicContact CB-CD2 3.56Å; W452-L461 HydrophobicContact CD2-CD2 3.85Å; W452-L461 HydrophobicContact CE3-CD2 4.38Å; W452-L461 HydrophobicContact CG-CD2 3.51Å; L461-I687 HydrophobicContact CD1-CG2 3.65Å; L461-I687 HydrophobicContact CD2-CG2 4.47Å; L461-I687 HydrophobicContact CG-CG2 4.03Å; L461-I691 HydrophobicContact CD1-CD1 3.6Å; L461-I691 HydrophobicContact CD1-CG1 3.57Å
462L83.3Confident72.7Confident72 Ų7271.4 Ų71.438%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-88.8119.2172.6-58171.3000108.2Y450 V451Y450-L462 CarbonylContact C-O 3.52Å; Y450-L462 WeakPolarHBondContact CA-O 3.34Å; V451-L462 HydrophobicContact CB-CB 4.26Å; V451-L462 PolarHBondContact N-O 3.31Å; V451-L462 PolarHBondContact O-N 2.93Å
463L85Confident72Confident83 Ų8373.4 Ų73.444%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-86.3121.7171.5177.960.1000109.1R448 Y450R448-L463 HydrophobicContact CB-CD1 3.96Å; R448-L463 HydrophobicContact CG-CD1 4.3Å; Y450-L463 HydrophobicContact CD1-CB 4.4Å; Y450-L463 HydrophobicContact CD1-CD1 4.28Å; Y450-L463 HydrophobicContact CD2-CD1 4.29Å; Y450-L463 HydrophobicContact CE1-CB 4.28Å; Y450-L463 HydrophobicContact CE1-CD1 4.09Å; Y450-L463 HydrophobicContact CE2-CD1 4.09Å; Y450-L463 HydrophobicContact CG-CD1 4.39Å
464L86.5Confident71.6Confident41 Ų4173.9 Ų73.922%0.21540%0.395CS..EExtended strand (participates in β ladder)trans-117.9145.6172-66.2174.9000109.8R448 V449 V451 L481 R485R448-L464 WeakPolarHBondContact CA-O 3.42Å; V449-L464 PolarHBondContact N-O 3.36Å; V449-L464 PolarHBondContact O-N 2.83Å; V451-L464 HydrophobicContact CG2-CD1 3.9Å; V451-L464 HydrophobicContact CG2-CG 4.46Å; L464-L481 HydrophobicContact CD1-CD1 3.48Å; L464-L481 VanDerWaalsContact CD1-CD1 3.48Å; L464-R485 HydrophobicContact CD1-CB 4.07Å
465E85.5Confident71.4Confident104 Ų10477.7 Ų77.749%0.48641%0.414SS..EExtended strand (participates in β ladder)trans-116.798.8179.4-170.6166.6114.500108.7T446 V447 R448T446-E465 VanDerWaalsContact CG2-CD 3.47Å; T446-E465 HydrophobicContact CG2-CG 3.3Å; T446-E465 WeakPolarHBondContact CG2-OE1 3.28Å; V447-E465 CarbonylContact O-C 3.5Å; V447-E465 WeakPolarHBondContact O-CA 3.46Å; R448-E465 HydrophobicContact CG-CG 4.29Å; R448-E465 IonicContact CZ-OE2 3.78Å; R448-E465 IonicContact NE-OE2 3.55Å; R448-E465 PolarHBondContact NE-OE2 3.17Å; R448-E465 IonicContact NH2-OE2 3.29Å; R448-E465 PolarHBondContact NH2-OE2 2.75Å
466L83.9Confident71.8Confident6 Ų672 Ų723%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-90.9146.1-175.4-54.5177.8000110.4T446 V447 V449 I477 A480 L481 E484T446-L466 CarbonylContact C-O 3.58Å; T446-L466 WeakPolarHBondContact CA-O 3.24Å; V447-L466 PolarHBondContact N-O 3.32Å; V447-L466 PolarHBondContact O-N 3.27Å; V449-L466 HydrophobicContact CG2-CD1 3.65Å; V449-L466 HydrophobicContact CG2-CG 4.2Å; L466-I477 HydrophobicContact CD1-CG2 4.21Å; L466-A480 HydrophobicContact CB-CB 4.48Å; L466-A480 HydrophobicContact CD1-CB 4.16Å; L466-L481 HydrophobicContact CD1-CB 3.93Å; L466-L481 HydrophobicContact CD1-CD1 4.45Å; L466-E484 HydrophobicContact CD2-CB 3.84Å; L466-E484 HydrophobicContact CD2-CG 4.03Å
467T79.4Confident73.1Confident89 Ų8970.6 Ų70.655%0.54638%0.382SS..EExtended strand (participates in β ladder)trans-112.2116.1173-600000110.3K444 Y445K444-T467 HydrophobicContact CB-CG2 4.33Å; K444-T467 HydrophobicContact CD-CG2 4.23Å; K444-T467 HydrophobicContact CG-CG2 4.39Å; Y445-T467 WeakPolarHBondContact O-CA 3.28Å
468L72.1Confident74.7Confident12 Ų1263.5 Ų63.56%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-108.5139.8-178.5-65.3164.9000110.7K444 Y445 V447 P472 N476 I477 A480K444-L468 CarbonylContact C-O 3.55Å; K444-L468 VanDerWaalsContact CA-O 3.29Å; K444-L468 WeakPolarHBondContact CA-O 3.29Å; Y445-L468 PolarHBondContact N-O 2.85Å; Y445-L468 PolarHBondContact O-N 2.76Å; V447-L468 HydrophobicContact CB-CD1 4.4Å; V447-L468 HydrophobicContact CG2-CD1 3.74Å; L468-P472 HydrophobicContact CD1-CB 3.8Å; L468-P472 HydrophobicContact CD1-CG 3.91Å; L468-N476 HydrophobicContact CD2-CB 4.2Å; L468-N476 WeakPolarHBondContact CD2-O 3.12Å; L468-I477 HydrophobicContact CD1-CG1 3.79Å; L468-A480 HydrophobicContact CD2-CB 3.56Å
469S64.7Low76.2Confident89 Ų8959.4 Ų59.462%0.62233%0.327SS*.SBendtrans-91-1.2174.153.20000113.8Y443Y443-S469 CarbonylContact O-C 3.56Å
470T66.6Low77.6Confident62 Ų6257.2 Ų57.238%0.3831%0.313SS..SBendtrans-125.1163178.858.20000110.2Y445 P472 N476Y445-T470 WeakPolarHBondContact CD2-O 3.29Å; Y445-T470 WeakPolarHBondContact CE2-O 3.38Å; T470-P472 WeakPolarHBondContact O-CD 3.47Å; T470-N476 PolarHBondContact OG1-OD1 3.19Å
471I67.8Low78.6Confident125 Ų12550.8 Ų50.864%0.64128%0.283SS*.  trans-55.4125.1173.8-64.4168.3000108.4Y445 C473Y445-I471 HydrophobicContact CE2-CG1 4.31Å; I471-C473 PolarHBondContact O-N 3.3Å
472P70.1Confident79.2Confident22 Ų2253.5 Ų53.514%0.14330%0.295CS..  trans-60.2113-176-26.235.6000111.6Y445 V447 L468 T470 I477 V696Y445-P472 HydrophobicContact CD1-CG 4.08Å; Y445-P472 HydrophobicContact CD2-CG 4.43Å; Y445-P472 HydrophobicContact CG-CG 3.78Å; V447-P472 HydrophobicContact CG2-CB 3.92Å; V447-P472 HydrophobicContact CG2-CG 3.55Å; L468-P472 HydrophobicContact CD1-CB 3.8Å; L468-P472 HydrophobicContact CD1-CG 3.91Å; T470-P472 WeakPolarHBondContact O-CD 3.47Å; P472-I477 HydrophobicContact CB-CD1 3.9Å; P472-I477 HydrophobicContact CB-CG1 4.11Å; P472-V696 HydrophobicContact CG-CG1 4.1Å
473C70.7Confident79.5Confident47 Ų4758 Ų5832%0.31831%0.314SS..  trans-118.4159.7168790000109.4I471 Q475 N476 I477 V500I471-C473 PolarHBondContact O-N 3.3Å; C473-Q475 PolarHBondContact O-N 2.9Å; C473-Q475 VanDerWaalsContact O-N 3.11Å; C473-N476 PolarHBondContact O-N 3.07Å; C473-N476 VanDerWaalsContact O-N 3.15Å; C473-N476 PolarHBondContact SG-OD1 3.34Å; C473-I477 WeakPolarHBondContact O-CB 3.44Å; C473-I477 WeakPolarHBondContact O-CD1 3.23Å; C473-I477 VanDerWaalsContact O-CG1 3.24Å; C473-I477 WeakPolarHBondContact O-CG1 3.17Å; C473-I477 PolarHBondContact O-N 2.86Å; C473-V500 HydrophobicContact CB-CG1 4.42Å
474G73.8Confident79.6Confident16 Ų1660.5 Ų60.517%0.16532%0.323CS..Hα-helixtrans-54-37.4-175.800000112.8I478G474-I478 WeakPolarHBondContact O-CB 3.24Å; G474-I478 WeakPolarHBondContact O-CD1 3.27Å; G474-I478 VanDerWaalsContact O-CG1 3.23Å; G474-I478 WeakPolarHBondContact O-CG1 3.4Å; G474-I478 PolarHBondContact O-N 2.98Å
475Q76.1Confident79.8Confident115 Ų11561.3 Ų61.354%0.53732%0.323SS..Hα-helixtrans-63-56.8176.1-17659.833.500112.3C473 I477 I478 E479C473-Q475 PolarHBondContact O-N 2.9Å; C473-Q475 VanDerWaalsContact O-N 3.11Å; Q475-I477 VanDerWaalsContact C-N 3.28Å; Q475-I477 PolarHBondContact O-N 2.93Å; Q475-I478 PolarHBondContact O-N 2.96Å; Q475-I478 VanDerWaalsContact O-N 3.13Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.44Å; Q475-E479 PolarHBondContact NE2-OE1 3.4Å; Q475-E479 WeakPolarHBondContact O-CG 3.49Å; Q475-E479 PolarHBondContact O-N 2.82Å
476N79.1Confident80Confident45 Ų4560.8 Ų60.824%0.24133%0.329CS..Hα-helixtrans-67.6-29.4-178.7-60129.7000112.8L468 T470 C473 E479 A480L468-N476 HydrophobicContact CD2-CB 4.2Å; L468-N476 WeakPolarHBondContact CD2-O 3.12Å; T470-N476 PolarHBondContact OG1-OD1 3.19Å; C473-N476 PolarHBondContact O-N 3.07Å; C473-N476 VanDerWaalsContact O-N 3.15Å; C473-N476 PolarHBondContact SG-OD1 3.34Å; N476-E479 WeakPolarHBondContact CA-OE2 3.22Å; N476-E479 PolarHBondContact ND2-OE2 3.26Å; N476-A480 WeakPolarHBondContact O-CB 2.94Å; N476-A480 PolarHBondContact O-N 3.03Å
477I83.5Confident80.2Confident4 Ų462.1 Ų62.12%0.02134%0.338CS..Hα-helixtrans-66.1-43.2172.5-64.3159.9000110.2V449 L466 L468 P472 C473 Q475 L481 I495 L508V449-I477 HydrophobicContact CG2-CG2 3.74Å; L466-I477 HydrophobicContact CD1-CG2 4.21Å; L468-I477 HydrophobicContact CD1-CG1 3.79Å; P472-I477 HydrophobicContact CB-CD1 3.9Å; P472-I477 HydrophobicContact CB-CG1 4.11Å; C473-I477 WeakPolarHBondContact O-CB 3.44Å; C473-I477 WeakPolarHBondContact O-CD1 3.23Å; C473-I477 VanDerWaalsContact O-CG1 3.24Å; C473-I477 WeakPolarHBondContact O-CG1 3.17Å; C473-I477 PolarHBondContact O-N 2.86Å; Q475-I477 VanDerWaalsContact C-N 3.28Å; Q475-I477 PolarHBondContact O-N 2.93Å; I477-L481 WeakPolarHBondContact O-CB 3.45Å; I477-L481 PolarHBondContact O-N 2.9Å; I477-I495 HydrophobicContact CB-CD1 3.85Å; I477-I495 HydrophobicContact CG2-CD1 3.39Å; I477-L508 HydrophobicContact CD1-CD1 4.44Å; I477-L508 HydrophobicContact CD1-CD2 3.68Å; I477-L508 HydrophobicContact CG1-CD2 4.46Å; I477-L508 HydrophobicContact CG2-CD2 4.15Å
478I86.3Confident80.5Confident28 Ų2860.8 Ų60.814%0.14433%0.327CS..Hα-helixtrans-62.2-48.1174.5-73.2165.2000110.3G474 Q475 A480 L481 E482 I495G474-I478 WeakPolarHBondContact O-CB 3.24Å; G474-I478 WeakPolarHBondContact O-CD1 3.27Å; G474-I478 VanDerWaalsContact O-CG1 3.23Å; G474-I478 WeakPolarHBondContact O-CG1 3.4Å; G474-I478 PolarHBondContact O-N 2.98Å; Q475-I478 PolarHBondContact O-N 2.96Å; Q475-I478 VanDerWaalsContact O-N 3.13Å; I478-A480 PolarHBondContact O-N 2.79Å; I478-L481 CarbonylContact O-C 3.45Å; I478-L481 WeakPolarHBondContact O-CB 3.35Å; I478-L481 PolarHBondContact O-N 2.85Å; I478-L481 VanDerWaalsContact O-N 3.09Å; I478-E482 HydrophobicContact CG2-CG 4.16Å; I478-E482 WeakPolarHBondContact CG2-OE1 3.28Å; I478-E482 WeakPolarHBondContact O-CB 3.22Å; I478-E482 VanDerWaalsContact O-CG 3.31Å; I478-E482 WeakPolarHBondContact O-CG 3.1Å; I478-E482 PolarHBondContact O-N 2.77Å; I478-I495 HydrophobicContact CD1-CB 4.47Å; I478-I495 HydrophobicContact CD1-CD1 4.47Å; I478-I495 HydrophobicContact CD1-CG1 4.25Å; I478-I495 HydrophobicContact CG1-CD1 3.82Å; I478-I495 HydrophobicContact CG1-CG1 3.98Å
479E84.9Confident81.1Confident70 Ų7066.5 Ų66.533%0.32737%0.365SS..Hα-helixtrans-57-47.1178.5-70.3161.6179.100112.5Q475 N476 L481 E482 Q483Q475-E479 WeakPolarHBondContact CG-OE1 3.44Å; Q475-E479 PolarHBondContact NE2-OE1 3.4Å; Q475-E479 WeakPolarHBondContact O-CG 3.49Å; Q475-E479 PolarHBondContact O-N 2.82Å; N476-E479 WeakPolarHBondContact CA-OE2 3.22Å; N476-E479 PolarHBondContact ND2-OE2 3.26Å; E479-L481 VanDerWaalsContact C-N 3.34Å; E479-E482 PolarHBondContact O-N 3.11Å; E479-Q483 WeakPolarHBondContact O-CG 3.23Å; E479-Q483 PolarHBondContact O-N 2.82Å; E479-Q483 VanDerWaalsContact O-N 3.11Å
480A85.7Confident82.1Confident16 Ų1664.3 Ų64.313%0.13236%0.356CS..Hα-helixtrans-67.8-34.3176.400000112.4L466 L468 N476 I478 Q483 E484L466-A480 HydrophobicContact CB-CB 4.48Å; L466-A480 HydrophobicContact CD1-CB 4.16Å; L468-A480 HydrophobicContact CD2-CB 3.56Å; N476-A480 WeakPolarHBondContact O-CB 2.94Å; N476-A480 PolarHBondContact O-N 3.03Å; I478-A480 PolarHBondContact O-N 2.79Å; A480-Q483 PolarHBondContact O-N 3.11Å; A480-E484 WeakPolarHBondContact O-CB 3.4Å; A480-E484 PolarHBondContact O-N 2.96Å
481L88.6Confident83.2Confident0 Ų062 Ų620%034%0.343CS..Hα-helixtrans-69.6-37.1176.6-178.561.8000112.1V449 V451 L464 L466 I477 I478 E479 R485 Y493 A510V449-L481 HydrophobicContact CG1-CD2 4.42Å; V451-L481 HydrophobicContact CG2-CD1 3.68Å; V451-L481 HydrophobicContact CG2-CD2 4.09Å; L464-L481 HydrophobicContact CD1-CD1 3.48Å; L464-L481 VanDerWaalsContact CD1-CD1 3.48Å; L466-L481 HydrophobicContact CD1-CB 3.93Å; L466-L481 HydrophobicContact CD1-CD1 4.45Å; I477-L481 WeakPolarHBondContact O-CB 3.45Å; I477-L481 PolarHBondContact O-N 2.9Å; I478-L481 CarbonylContact O-C 3.45Å; I478-L481 WeakPolarHBondContact O-CB 3.35Å; I478-L481 PolarHBondContact O-N 2.85Å; I478-L481 VanDerWaalsContact O-N 3.09Å; E479-L481 VanDerWaalsContact C-N 3.34Å; L481-R485 CarbonylContact O-C 3.5Å; L481-R485 VanDerWaalsContact O-C 3.26Å; L481-R485 WeakPolarHBondContact O-CA 3.46Å; L481-R485 PolarHBondContact O-N 3.24Å; L481-Y493 HydrophobicContact CB-CD2 4.44Å; L481-Y493 HydrophobicContact CB-CE2 4.46Å; L481-Y493 HydrophobicContact CD2-CD1 3.66Å; L481-Y493 HydrophobicContact CD2-CD2 3.72Å; L481-Y493 HydrophobicContact CD2-CE1 3.84Å; L481-Y493 HydrophobicContact CD2-CE2 3.88Å; L481-Y493 HydrophobicContact CD2-CG 3.58Å; L481-Y493 HydrophobicContact CG-CD1 4.44Å; L481-Y493 HydrophobicContact CG-CD2 3.82Å; L481-Y493 HydrophobicContact CG-CE1 4.26Å; L481-Y493 HydrophobicContact CG-CE2 3.6Å; L481-Y493 HydrophobicContact CG-CG 4.22Å; L481-A510 HydrophobicContact CD2-CB 3.53Å
482E90.3Very high84.2Confident78 Ų7859.5 Ų59.536%0.36433%0.328SS..Hα-helixtrans-69.4-33.2175.3-71.7178.9168.700112.1I478 E479 P486 Y493I478-E482 HydrophobicContact CG2-CG 4.16Å; I478-E482 WeakPolarHBondContact CG2-OE1 3.28Å; I478-E482 WeakPolarHBondContact O-CB 3.22Å; I478-E482 VanDerWaalsContact O-CG 3.31Å; I478-E482 WeakPolarHBondContact O-CG 3.1Å; I478-E482 PolarHBondContact O-N 2.77Å; E479-E482 PolarHBondContact O-N 3.11Å; E482-P486 WeakPolarHBondContact O-CA 3.36Å; E482-P486 WeakPolarHBondContact O-CD 3.45Å; E482-P486 WeakPolarHBondContact O-CG 3.32Å; E482-Y493 HydrophobicContact CG-CD2 3.73Å; E482-Y493 HydrophobicContact CG-CE2 4.1Å
483Q88.3Confident85.2Confident166 Ų16658.9 Ų58.978%0.77632%0.323SS*.Hα-helixtrans-69-45.7172-71.2174.315.600112.2E479 A480E479-Q483 WeakPolarHBondContact O-CG 3.23Å; E479-Q483 PolarHBondContact O-N 2.82Å; E479-Q483 VanDerWaalsContact O-N 3.11Å; A480-Q483 PolarHBondContact O-N 3.11Å
484E88.2Confident86Confident135 Ų13559.4 Ų59.463%0.63132%0.319SS*.Hα-helixtrans-75.8-39.2-177.7-172.664.2-162.700112.7L466 A480L466-E484 HydrophobicContact CD2-CB 3.84Å; L466-E484 HydrophobicContact CD2-CG 4.03Å; A480-E484 WeakPolarHBondContact O-CB 3.4Å; A480-E484 PolarHBondContact O-N 2.96Å
485R89.4Confident86.5Confident59 Ų5959 Ų5922%0.22331%0.313CS..SBendtrans-143.891.4177-177-168.1174.3-105.8-1.2109.6L464 L481 Y493 E512L464-R485 HydrophobicContact CD1-CB 4.07Å; L481-R485 CarbonylContact O-C 3.5Å; L481-R485 VanDerWaalsContact O-C 3.26Å; L481-R485 WeakPolarHBondContact O-CA 3.46Å; L481-R485 PolarHBondContact O-N 3.24Å; R485-Y493 WeakPolarHBondContact CD-OH 3.29Å; R485-Y493 WeakPolarHBondContact CG-OH 3.34Å; R485-Y493 PolarHBondContact NH1-OH 2.9Å; R485-Y493 WeakPolarHBondContact O-CE2 2.91Å; R485-Y493 PolarHBondContact O-OH 2.99Å; R485-E512 IonicContact CZ-OE2 2.73Å; R485-E512 IonicContact NH1-OE1 2.65Å; R485-E512 IonicContact NH1-OE2 3.52Å; R485-E512 PolarHBondContact NH1-OE2 2.73Å; R485-E512 IonicContact NH2-OE1 2.69Å; R485-E512 IonicContact NH2-OE2 3.73Å; R485-E512 PolarHBondContact NH2-OE2 2.96Å
486P90.3Very high86.4Confident93 Ų9354.2 Ų54.260%0.60429%0.291SS*.PPolyproline II helixtrans-51.7139.1172.1-26.632.9000111.9E482E482-P486 WeakPolarHBondContact O-CA 3.36Å; E482-P486 WeakPolarHBondContact O-CD 3.45Å; E482-P486 WeakPolarHBondContact O-CG 3.32Å
487P88Confident85.5Confident33 Ų3358.6 Ų58.621%0.21432%0.315CS..PPolyproline II helixtrans-67.5160.3177.929.5-35000111.1C491 Y493P487-C491 HydrophobicContact CB-CB 4.4Å; P487-C491 WeakPolarHBondContact CB-O 3.18Å; P487-C491 VanDerWaalsContact CG-O 3.32Å; P487-C491 WeakPolarHBondContact CG-O 3.06Å; P487-Y493 HydrophobicContact CB-CD2 4.34Å; P487-Y493 HydrophobicContact CB-CE2 4.03Å; P487-Y493 HydrophobicContact CG-CD2 4.49Å; P487-Y493 HydrophobicContact CG-CE2 4.33Å
488L86.4Confident84.4Confident61 Ų6167.8 Ų67.832%0.31936%0.355SS..PPolyproline II helixtrans-57.8147.7173.4-73.4166.7000111.3K455 G490 C491 E512K455-L488 HydrophobicContact CB-CD1 3.82Å; K455-L488 HydrophobicContact CD-CD1 4.45Å; K455-L488 HydrophobicContact CG-CD1 4.27Å; L488-G490 PolarHBondContact O-N 2.78Å; L488-C491 HydrophobicContact CB-CB 4.29Å; L488-C491 WeakPolarHBondContact O-CA 3.44Å; L488-C491 VanDerWaalsContact O-CB 3.23Å; L488-C491 WeakPolarHBondContact O-CB 3.32Å; L488-C491 PolarHBondContact O-N 2.8Å; L488-E512 WeakPolarHBondContact CB-OE1 3.37Å; L488-E512 VanDerWaalsContact CG-OE1 3.24Å; L488-E512 WeakPolarHBondContact CG-OE1 3.08Å; L488-E512 PolarHBondContact N-OE1 3.18Å
489P85.3Confident82.9Confident132 Ų13267.8 Ų67.886%0.85736%0.357SS*.THydrogen-bonded Turntrans-53126.1178.7-28.335.4000113.1C491P489-C491 VanDerWaalsContact C-N 3.34Å
490G85.1Confident81.4Confident43 Ų4366.7 Ų66.744%0.44336%0.355SS..THydrogen-bonded Turntrans78.212.6-174.500000114.9L488 T514 E515L488-G490 PolarHBondContact O-N 2.78Å; G490-T514 WeakPolarHBondContact O-CA 3.44Å; G490-E515 PolarHBondContact O-N 3.04Å
491C88.6Confident79.6Confident14 Ų1471.2 Ų71.210%0.09538%0.377CS..EExtended strand (participates in β ladder)trans-117.4154.1172.8-55.40000111P487 L488 P489 E512 L513P487-C491 HydrophobicContact CB-CB 4.4Å; P487-C491 WeakPolarHBondContact CB-O 3.18Å; P487-C491 VanDerWaalsContact CG-O 3.32Å; P487-C491 WeakPolarHBondContact CG-O 3.06Å; L488-C491 HydrophobicContact CB-CB 4.29Å; L488-C491 WeakPolarHBondContact O-CA 3.44Å; L488-C491 VanDerWaalsContact O-CB 3.23Å; L488-C491 WeakPolarHBondContact O-CB 3.32Å; L488-C491 PolarHBondContact O-N 2.8Å; P489-C491 VanDerWaalsContact C-N 3.34Å; C491-E512 HydrophobicContact CB-CG 4.08Å; C491-L513 CarbonylContact C-O 3.54Å; C491-L513 WeakPolarHBondContact CA-O 3.47Å; C491-L513 VanDerWaalsContact CB-O 3.27Å; C491-L513 WeakPolarHBondContact CB-O 3.37Å
492Q89.7Confident77.7Confident73 Ų7381.3 Ų81.334%0.34142%0.415SS..EExtended strand (participates in β ladder)trans-129.8159.9174.860.4-177.8-400109.4L513 G516Q492-L513 PolarHBondContact N-O 2.75Å; Q492-L513 PolarHBondContact O-N 3.33Å; Q492-G516 PolarHBondContact NE2-O 2.91Å
493Y90.5Very high75.5Confident9 Ų980.6 Ų80.64%0.03542%0.419CS..EExtended strand (participates in β ladder)trans-86.5138.7168.8-67.5-64.3000111.4V451 L481 E482 R485 P487 A510 E512V451-Y493 HydrophobicContact CG1-CD1 4.32Å; V451-Y493 HydrophobicContact CG1-CE1 3.6Å; L481-Y493 HydrophobicContact CB-CD2 4.44Å; L481-Y493 HydrophobicContact CB-CE2 4.46Å; L481-Y493 HydrophobicContact CD2-CD1 3.66Å; L481-Y493 HydrophobicContact CD2-CD2 3.72Å; L481-Y493 HydrophobicContact CD2-CE1 3.84Å; L481-Y493 HydrophobicContact CD2-CE2 3.88Å; L481-Y493 HydrophobicContact CD2-CG 3.58Å; L481-Y493 HydrophobicContact CG-CD1 4.44Å; L481-Y493 HydrophobicContact CG-CD2 3.82Å; L481-Y493 HydrophobicContact CG-CE1 4.26Å; L481-Y493 HydrophobicContact CG-CE2 3.6Å; L481-Y493 HydrophobicContact CG-CG 4.22Å; E482-Y493 HydrophobicContact CG-CD2 3.73Å; E482-Y493 HydrophobicContact CG-CE2 4.1Å; R485-Y493 WeakPolarHBondContact CD-OH 3.29Å; R485-Y493 WeakPolarHBondContact CG-OH 3.34Å; R485-Y493 PolarHBondContact NH1-OH 2.9Å; R485-Y493 WeakPolarHBondContact O-CE2 2.91Å; R485-Y493 PolarHBondContact O-OH 2.99Å; P487-Y493 HydrophobicContact CB-CD2 4.34Å; P487-Y493 HydrophobicContact CB-CE2 4.03Å; P487-Y493 HydrophobicContact CG-CD2 4.49Å; P487-Y493 HydrophobicContact CG-CE2 4.33Å; Y493-A510 HydrophobicContact CD1-CB 4.42Å; Y493-E512 HydrophobicContact CD1-CB 4.2Å; Y493-E512 HydrophobicContact CE1-CB 4.07Å; Y493-E512 HydrophobicContact CE1-CG 4.27Å
494Y88.6Confident73.7Confident58 Ų5882.1 Ų82.123%0.22742%0.418CS..EExtended strand (participates in β ladder)trans-124.7126.1173.7175.7-103000110.5P496 Y511 L513 P518 Y537Y494-P496 HydrophobicContact CD1-CG 4.4Å; Y494-P496 HydrophobicContact CE1-CB 4.24Å; Y494-P496 HydrophobicContact CE1-CG 3.86Å; Y494-Y511 HydrophobicContact CD1-CD2 4.45Å; Y494-Y511 PolarHBondContact N-O 3.47Å; Y494-Y511 PolarHBondContact O-N 3.02Å; Y494-L513 HydrophobicContact CD1-CD1 4.18Å; Y494-L513 HydrophobicContact CG-CD1 4.18Å; Y494-P518 HydrophobicContact CD1-CB 4.14Å; Y494-P518 HydrophobicContact CD2-CB 4.07Å; Y494-P518 HydrophobicContact CD2-CG 3.62Å; Y494-P518 HydrophobicContact CE1-CB 4.14Å; Y494-P518 HydrophobicContact CE1-CG 4.38Å; Y494-P518 HydrophobicContact CE2-CB 4.06Å; Y494-P518 HydrophobicContact CE2-CG 3.43Å; Y494-P518 VanDerWaalsContact CE2-CG 3.43Å; Y494-P518 HydrophobicContact CG-CB 4.09Å; Y494-P518 HydrophobicContact CG-CG 4.17Å; Y494-Y537 HydrophobicContact CD1-CD1 4.13Å; Y494-Y537 HydrophobicContact CD1-CE1 4.41Å; Y494-Y537 HydrophobicContact CD1-CG 4.24Å; Y494-Y537 AromaticContact CE1-CD1 3.58Å; Y494-Y537 HydrophobicContact CE1-CD1 3.58Å; Y494-Y537 HydrophobicContact CE1-CD2 4.37Å; Y494-Y537 AromaticContact CE1-CE1 3.45Å; Y494-Y537 HydrophobicContact CE1-CE1 3.45Å; Y494-Y537 VanDerWaalsContact CE1-CE1 3.45Å; Y494-Y537 HydrophobicContact CE1-CE2 4.27Å; Y494-Y537 HydrophobicContact CE1-CG 4.04Å; Y494-Y537 AromaticContact CE1-CZ 3.82Å
495I82.6Confident71.7Confident8 Ų883.1 Ų83.14%0.04142%0.416CS..  trans-114.5118.6174.9-63.2-177000107.5I477 I478 N497 S499 V500 L508 A510I477-I495 HydrophobicContact CB-CD1 3.85Å; I477-I495 HydrophobicContact CG2-CD1 3.39Å; I478-I495 HydrophobicContact CD1-CB 4.47Å; I478-I495 HydrophobicContact CD1-CD1 4.47Å; I478-I495 HydrophobicContact CD1-CG1 4.25Å; I478-I495 HydrophobicContact CG1-CD1 3.82Å; I478-I495 HydrophobicContact CG1-CG1 3.98Å; I495-N497 PolarHBondContact O-N 2.66Å; I495-S499 WeakPolarHBondContact CG2-OG 3.22Å; I495-V500 HydrophobicContact CG2-CG2 3.66Å; I495-L508 HydrophobicContact CG2-CD1 3.73Å; I495-A510 HydrophobicContact CD1-CB 4.31Å; I495-A510 HydrophobicContact CG1-CB 3.92Å
496P75.1Confident70Confident13 Ų1382.1 Ų82.18%0.08442%0.421CS..  trans-63.2133.2179.3-21.231.9000111.6Y494 K498 S499 Y511 Y537Y494-P496 HydrophobicContact CD1-CG 4.4Å; Y494-P496 HydrophobicContact CE1-CB 4.24Å; Y494-P496 HydrophobicContact CE1-CG 3.86Å; P496-K498 PolarHBondContact O-N 2.84Å; P496-S499 WeakPolarHBondContact O-CB 3.37Å; P496-S499 PolarHBondContact O-N 2.88Å; P496-S499 PolarHBondContact O-OG 2.7Å; P496-Y511 HydrophobicContact CG-CD2 4.15Å; P496-Y511 HydrophobicContact CG-CE2 3.74Å; P496-Y537 HydrophobicContact CB-CE2 4.34Å; P496-Y537 HydrophobicContact CG-CD2 4.4Å; P496-Y537 HydrophobicContact CG-CE2 3.59Å
497N61.1Low68.6Low138 Ų13878.9 Ų78.974%0.73840%0.401SS*.G310 helixtrans-49.1-36.4-178.1-78.6-5.4000114I495 S499 V500 D501I495-N497 PolarHBondContact O-N 2.66Å; N497-S499 PolarHBondContact O-N 3.43Å; N497-S499 VanDerWaalsContact O-N 3.14Å; N497-V500 PolarHBondContact O-N 2.73Å; N497-D501 PolarHBondContact O-N 2.9Å
498K58.8Low68Low197 Ų19777.6 Ų77.686%0.85739%0.392SS*.G310 helixtrans-62.4-16.7177.5-68.1-168.3175.5-171.20115.1P496P496-K498 PolarHBondContact O-N 2.84Å
499S55.1Low67.7Low27 Ų2775.4 Ų75.419%0.18938%0.38CS..G310 helixtrans-90.7-4.7179.564.40000114I495 P496 N497I495-S499 WeakPolarHBondContact CG2-OG 3.22Å; P496-S499 WeakPolarHBondContact O-CB 3.37Å; P496-S499 PolarHBondContact O-N 2.88Å; P496-S499 PolarHBondContact O-OG 2.7Å; N497-S499 PolarHBondContact O-N 3.43Å; N497-S499 VanDerWaalsContact O-N 3.14Å
500V53.9Low67.8Low47 Ų4769.1 Ų69.129%0.28534%0.339SS..THydrogen-bonded Turntrans-114.2-32.2-177.5-177.80000111.6C473 I495 N497 R502C473-V500 HydrophobicContact CB-CG1 4.42Å; I495-V500 HydrophobicContact CG2-CG2 3.66Å; N497-V500 PolarHBondContact O-N 2.73Å; V500-R502 PolarHBondContact O-N 2.79Å
501D46.8Very low68Low111 Ų11167.4 Ų67.459%0.59432%0.32SS*.SBendtrans-73.5102.4-173.8-133.9-25.1000111.8N497 S503N497-D501 PolarHBondContact O-N 2.9Å; D501-S503 VanDerWaalsContact C-N 3.33Å; D501-S503 PolarHBondContact O-N 3.41Å
502R48.8Very low68Low212 Ų21266.7 Ų66.780%0.832%0.315SS*.SBendtrans68.3-23.4157.9-64167.7178.6-125.4-8120.3V500 R504V500-R502 PolarHBondContact O-N 2.79Å; R502-R504 PolarHBondContact O-N 3.46Å
503S44.9Very low68Low63 Ų6363.3 Ų63.344%0.44130%0.299SS..  trans-81.7121.2-179.884.50000112.4D501 Y505 A506D501-S503 VanDerWaalsContact C-N 3.33Å; D501-S503 PolarHBondContact O-N 3.41Å; S503-Y505 PolarHBondContact O-N 3.08Å; S503-A506 WeakPolarHBondContact OG-CB 3.42Å; S503-A506 PolarHBondContact OG-N 2.67Å
504R49.8Very low67.9Low199 Ų19964.7 Ų64.775%0.75131%0.309SS*.THydrogen-bonded Turntrans-70.17.2171.9-58.3-175.5-170.2-179.25.5113.5R502R502-R504 PolarHBondContact O-N 3.46Å
505Y46.8Very low67.7Low155 Ų15568.3 Ų68.361%0.60833%0.328SS*.THydrogen-bonded Turntrans-132.8-17.2-159-58.1-72.7000114.6S503S503-Y505 PolarHBondContact O-N 3.08Å
506A53.7Low67.8Low38 Ų3868.8 Ų68.831%0.31434%0.335SS..SBendtrans-82.7124.2176.100000111.7S503 L508 P695S503-A506 WeakPolarHBondContact OG-CB 3.42Å; S503-A506 PolarHBondContact OG-N 2.67Å; A506-L508 PolarHBondContact O-N 3.21Å; A506-P695 VanDerWaalsContact O-CG 3.3Å; A506-P695 WeakPolarHBondContact O-CG 3.37Å
507S60.6Low68.4Low26 Ų2670 Ų7018%0.18234%0.339CS..PPolyproline II helixtrans-64.5131.8-179.2-51.90000112.4I691 Q692S507-I691 WeakPolarHBondContact OG-CG2 3.32Å; S507-Q692 PolarHBondContact OG-O 3.26Å
508L75.5Confident69.7Low5 Ų564.8 Ų64.83%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-89.6127.5-170.6179.662.4000111.5V447 V449 Y450 I477 I495 A506 P695V447-L508 HydrophobicContact CG1-CD2 3.34Å; V449-L508 HydrophobicContact CG2-CD2 3.91Å; V449-L508 HydrophobicContact CG2-CG 4.45Å; Y450-L508 PolarHBondContact N-O 2.96Å; I477-L508 HydrophobicContact CD1-CD1 4.44Å; I477-L508 HydrophobicContact CD1-CD2 3.68Å; I477-L508 HydrophobicContact CG1-CD2 4.46Å; I477-L508 HydrophobicContact CG2-CD2 4.15Å; I495-L508 HydrophobicContact CG2-CD1 3.73Å; A506-L508 PolarHBondContact O-N 3.21Å; L508-P695 HydrophobicContact CB-CB 3.95Å
509I81.1Confident71.1Confident15 Ų1555.4 Ų55.48%0.07727%0.272CS..EExtended strand (participates in β ladder)trans-130.7123.5-173.8-53.1172.8000110.1Y450 Y511 F534 I691Y450-I509 CarbonylContact O-C 3.55Å; Y450-I509 VanDerWaalsContact O-CA 3.25Å; Y450-I509 WeakPolarHBondContact O-CA 3.35Å; Y450-I509 WeakPolarHBondContact O-CG2 3.48Å; I509-Y511 HydrophobicContact CB-CE2 4.11Å; I509-Y511 HydrophobicContact CG2-CD2 4.25Å; I509-Y511 HydrophobicContact CG2-CE2 3.71Å; I509-F534 HydrophobicContact CD1-CD2 4.41Å; I509-F534 HydrophobicContact CD1-CE2 3.33Å; I509-F534 HydrophobicContact CD1-CZ 3.75Å; I509-I691 HydrophobicContact CD1-CD1 3.75Å; I509-I691 HydrophobicContact CG1-CD1 4.5Å
510A87.6Confident72.7Confident0 Ų055.2 Ų55.20%027%0.27CS..EExtended strand (participates in β ladder)trans-101.9122.9172.700000110V449 Y450 V451 W452 L481 Y493 I495V449-A510 HydrophobicContact CG1-CB 3.72Å; Y450-A510 PolarHBondContact O-N 3.12Å; V451-A510 CarbonylContact C-O 3.59Å; V451-A510 WeakPolarHBondContact CA-O 3.47Å; W452-A510 PolarHBondContact N-O 3.07Å; L481-A510 HydrophobicContact CD2-CB 3.53Å; Y493-A510 HydrophobicContact CD1-CB 4.42Å; I495-A510 HydrophobicContact CD1-CB 4.31Å; I495-A510 HydrophobicContact CG1-CB 3.92Å
511Y88.4Confident74.2Confident7 Ų753 Ų533%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-92.4118.2177.2-62.4-101.8000108.4W452 Y494 P496 I509 L513 P535 Y537W452-Y511 HydrophobicContact CE3-CD1 4.03Å; W452-Y511 AromaticContact CE3-CE1 3.48Å; W452-Y511 HydrophobicContact CE3-CE1 3.48Å; W452-Y511 VanDerWaalsContact CE3-CE1 3.48Å; W452-Y511 AromaticContact CZ3-CE1 3.86Å; W452-Y511 HydrophobicContact CZ3-CE1 3.86Å; Y494-Y511 HydrophobicContact CD1-CD2 4.45Å; Y494-Y511 PolarHBondContact N-O 3.47Å; Y494-Y511 PolarHBondContact O-N 3.02Å; P496-Y511 HydrophobicContact CG-CD2 4.15Å; P496-Y511 HydrophobicContact CG-CE2 3.74Å; I509-Y511 HydrophobicContact CB-CE2 4.11Å; I509-Y511 HydrophobicContact CG2-CD2 4.25Å; I509-Y511 HydrophobicContact CG2-CE2 3.71Å; Y511-L513 PolarHBondContact O-N 3Å; Y511-P535 PolarHBondContact OH-O 3.25Å; Y511-Y537 HydrophobicContact CD1-CD2 4.04Å; Y511-Y537 HydrophobicContact CD2-CD2 4.1Å; Y511-Y537 AromaticContact CE1-CD2 3.82Å; Y511-Y537 HydrophobicContact CE1-CD2 3.82Å; Y511-Y537 AromaticContact CE2-CD2 3.91Å; Y511-Y537 HydrophobicContact CE2-CD2 3.91Å; Y511-Y537 HydrophobicContact CE2-CE2 4.15Å; Y511-Y537 HydrophobicContact CG-CD2 4.2Å; Y511-Y537 AromaticContact CZ-CD2 3.77Å
512E89.5Confident75.8Confident0 Ų049.6 Ų49.60%024%0.238CC..EExtended strand (participates in β ladder)trans-77.8117.5166.6-170.1174-171.300107.3W452 P453 W454 R485 L488 C491 Y493 R565W452-E512 PolarHBondContact O-N 2.86Å; W452-E512 VanDerWaalsContact O-N 3.07Å; P453-E512 VanDerWaalsContact CA-OE2 3.25Å; P453-E512 WeakPolarHBondContact CA-OE2 3.25Å; P453-E512 WeakPolarHBondContact CB-OE2 3.39Å; W454-E512 HydrophobicContact CB-CB 4.34Å; W454-E512 HydrophobicContact CB-CG 4.02Å; W454-E512 PolarHBondContact N-OE2 3.03Å; R485-E512 IonicContact CZ-OE2 2.73Å; R485-E512 IonicContact NH1-OE1 2.65Å; R485-E512 IonicContact NH1-OE2 3.52Å; R485-E512 PolarHBondContact NH1-OE2 2.73Å; R485-E512 IonicContact NH2-OE1 2.69Å; R485-E512 IonicContact NH2-OE2 3.73Å; R485-E512 PolarHBondContact NH2-OE2 2.96Å; L488-E512 WeakPolarHBondContact CB-OE1 3.37Å; L488-E512 VanDerWaalsContact CG-OE1 3.24Å; L488-E512 WeakPolarHBondContact CG-OE1 3.08Å; L488-E512 PolarHBondContact N-OE1 3.18Å; C491-E512 HydrophobicContact CB-CG 4.08Å; Y493-E512 HydrophobicContact CD1-CB 4.2Å; Y493-E512 HydrophobicContact CE1-CB 4.07Å; Y493-E512 HydrophobicContact CE1-CG 4.27Å; E512-R565 PolarHBondContact O-NH1 2.69Å
513L89Confident77.1Confident1 Ų140.9 Ų40.91%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-132.9152.8-173.6-63.8177.4000109.8C491 Q492 Y494 Y511 P518 Y537C491-L513 CarbonylContact C-O 3.54Å; C491-L513 WeakPolarHBondContact CA-O 3.47Å; C491-L513 VanDerWaalsContact CB-O 3.27Å; C491-L513 WeakPolarHBondContact CB-O 3.37Å; Q492-L513 PolarHBondContact N-O 2.75Å; Q492-L513 PolarHBondContact O-N 3.33Å; Y494-L513 HydrophobicContact CD1-CD1 4.18Å; Y494-L513 HydrophobicContact CG-CD1 4.18Å; Y511-L513 PolarHBondContact O-N 3Å; L513-P518 HydrophobicContact CD1-CB 4Å; L513-Y537 WeakPolarHBondContact CD2-O 3.3Å
514T87.7Confident78Confident39 Ų3940.5 Ų40.524%0.23920%0.201CC..EExtended strand (participates in β ladder)trans-62153.1167.255.30000111W454 G490 G516 S539W454-T514 HydrophobicContact CD2-CG2 4.37Å; W454-T514 HydrophobicContact CZ2-CG2 3.94Å; G490-T514 WeakPolarHBondContact O-CA 3.44Å; T514-G516 PolarHBondContact O-N 3.48Å; T514-S539 WeakPolarHBondContact O-CB 3.4Å; T514-S539 PolarHBondContact O-OG 2.86Å
515E84.5Confident78.3Confident133 Ų13335.3 Ų35.362%0.62119%0.188SC*.SBendtrans-51.8138.7170.8-70.4170.5-149.100111.6G490G490-E515 PolarHBondContact O-N 3.04Å
516G85.5Confident78.4Confident19 Ų1929.2 Ų29.220%0.19617%0.165CC..SBendtrans141.7-171.9-174.700000113.5Q492 T514 S539 L540Q492-G516 PolarHBondContact NE2-O 2.91Å; T514-G516 PolarHBondContact O-N 3.48Å; G516-S539 VanDerWaalsContact C-OG 3.29Å; G516-S539 VanDerWaalsContact CA-OG 3.26Å; G516-S539 WeakPolarHBondContact CA-OG 3.45Å; G516-S539 PolarHBondContact N-OG 3.07Å; G516-L540 CarbonylContact C-O 3.48Å; G516-L540 VanDerWaalsContact CA-O 3.28Å; G516-L540 WeakPolarHBondContact CA-O 3.37Å
517F87.4Confident77.8Confident37 Ų3732.2 Ų32.216%0.16218%0.176CC..EExtended strand (participates in β ladder)trans-87.3119179.5-171.4-88.6000111I519 S539 L540 I542 I551 C665 Y669F517-I519 HydrophobicContact CD1-CD1 4.06Å; F517-I519 HydrophobicContact CD1-CG1 3.62Å; F517-I519 HydrophobicContact CE1-CD1 4.24Å; F517-I519 HydrophobicContact CE1-CG1 3.87Å; F517-S539 WeakPolarHBondContact O-CA 3.48Å; F517-L540 PolarHBondContact N-O 3.04Å; F517-L540 PolarHBondContact O-N 3.05Å; F517-I542 HydrophobicContact CB-CD1 4.08Å; F517-I542 HydrophobicContact CB-CG1 3.89Å; F517-I551 HydrophobicContact CB-CD1 3.61Å; F517-I551 HydrophobicContact CB-CG1 4.23Å; F517-I551 HydrophobicContact CD1-CD1 3.3Å; F517-I551 HydrophobicContact CD2-CD1 4.11Å; F517-I551 HydrophobicContact CE1-CD1 3.9Å; F517-I551 HydrophobicContact CG-CD1 3.42Å; F517-I551 VanDerWaalsContact CG-CD1 3.42Å; F517-I551 HydrophobicContact CG-CG1 4.39Å; F517-C665 HydrophobicContact CD2-CB 4.11Å; F517-C665 HydrophobicContact CE2-CB 4.05Å; F517-C665 WeakPolarHBondContact CE2-O 3.34Å; F517-Y669 HydrophobicContact CE1-CD2 4.16Å; F517-Y669 HydrophobicContact CZ-CD2 4.45Å
518P88.3Confident76.8Confident30 Ų3038.6 Ų38.620%0.19521%0.207CC..EExtended strand (participates in β ladder)trans-79.4126.4-177.730.1-32.7000112Y494 L513 Y537 I538Y494-P518 HydrophobicContact CD1-CB 4.14Å; Y494-P518 HydrophobicContact CD2-CB 4.07Å; Y494-P518 HydrophobicContact CD2-CG 3.62Å; Y494-P518 HydrophobicContact CE1-CB 4.14Å; Y494-P518 HydrophobicContact CE1-CG 4.38Å; Y494-P518 HydrophobicContact CE2-CB 4.06Å; Y494-P518 HydrophobicContact CE2-CG 3.43Å; Y494-P518 VanDerWaalsContact CE2-CG 3.43Å; Y494-P518 HydrophobicContact CG-CB 4.09Å; Y494-P518 HydrophobicContact CG-CG 4.17Å; L513-P518 HydrophobicContact CD1-CB 4Å; P518-Y537 HydrophobicContact CB-CD1 4.27Å; P518-I538 CarbonylContact C-O 3.51Å; P518-I538 VanDerWaalsContact CA-O 3.31Å; P518-I538 WeakPolarHBondContact CA-O 3.33Å
519I88.3Confident74.9Confident0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-120.4129.2176.1-55.1-166.1000110.4F517 Y537 I538 L540 I551 I671F517-I519 HydrophobicContact CD1-CD1 4.06Å; F517-I519 HydrophobicContact CD1-CG1 3.62Å; F517-I519 HydrophobicContact CE1-CD1 4.24Å; F517-I519 HydrophobicContact CE1-CG1 3.87Å; I519-Y537 WeakPolarHBondContact O-CA 3.25Å; I519-I538 HydrophobicContact CB-CG1 4.25Å; I519-I538 PolarHBondContact N-O 2.84Å; I519-I538 PolarHBondContact O-N 3.24Å; I519-L540 HydrophobicContact CD1-CD1 3.55Å; I519-L540 HydrophobicContact CD1-CG 4.42Å; I519-L540 HydrophobicContact CG1-CD1 4.28Å; I519-I551 HydrophobicContact CD1-CD1 4.43Å; I519-I671 HydrophobicContact CG2-CD1 3.84Å; I519-I671 HydrophobicContact CG2-CG1 3.92Å
520P88.3Confident72.8Confident23 Ų2348.4 Ų48.415%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-75139.2173.229.4-32.6000112.1P535 Y537 Y669 I671P520-P535 HydrophobicContact CB-CB 3.89Å; P520-Y537 HydrophobicContact CB-CD1 4.16Å; P520-Y537 HydrophobicContact CB-CE1 3.65Å; P520-Y537 HydrophobicContact CB-CE2 4.42Å; P520-Y537 HydrophobicContact CG-CE1 4.07Å; P520-Y669 WeakPolarHBondContact CD-O 3.45Å; P520-I671 PolarHBondContact O-N 3.2Å
521V86.9Confident70.6Confident0 Ų051.4 Ų51.40%030%0.301CS..EExtended strand (participates in β ladder)trans-107.6122.7169.2-169.10000108.7P535 I536 I538 I562 I671 L673V521-P535 WeakPolarHBondContact O-CA 3.39Å; V521-I536 HydrophobicContact CB-CD1 4.38Å; V521-I536 HydrophobicContact CB-CG1 3.71Å; V521-I536 HydrophobicContact CG1-CG1 4.47Å; V521-I536 HydrophobicContact CG2-CG1 4.11Å; V521-I536 PolarHBondContact N-O 2.87Å; V521-I536 PolarHBondContact O-N 2.9Å; V521-I538 HydrophobicContact CG2-CG1 4.35Å; V521-I538 HydrophobicContact CG2-CG2 4.19Å; V521-I562 HydrophobicContact CG1-CD1 4.33Å; V521-I562 HydrophobicContact CG2-CD1 4.3Å; V521-I562 HydrophobicContact CG2-CG1 4.06Å; V521-I671 CarbonylContact C-O 3.53Å; V521-I671 WeakPolarHBondContact CA-O 3.46Å; V521-I671 HydrophobicContact CG1-CB 4.33Å; V521-I671 HydrophobicContact CG1-CG2 4.14Å; V521-I671 HydrophobicContact CG2-CB 4.3Å; V521-I671 HydrophobicContact CG2-CD1 4.25Å; V521-L673 HydrophobicContact CG1-CB 4.14Å; V521-L673 HydrophobicContact CG1-CD2 4.48Å
522L79.7Confident68.6Low40 Ų4053.5 Ų53.521%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-114.4154.7-174.9-60.8171.6000110N533 P535 I671 L673L522-N533 HydrophobicContact CD2-CB 4.16Å; L522-P535 HydrophobicContact CD2-CB 3.92Å; L522-I671 PolarHBondContact N-O 2.87Å; L522-L673 PolarHBondContact O-N 2.88Å
523W76Confident67.1Low28 Ų2856.1 Ų56.111%0.10633%0.326CS..EExtended strand (participates in β ladder)trans-110.5140.7-177.9-6679.2000111.2N525 L673 C675 I680W523-N525 VanDerWaalsContact C-N 3.31Å; W523-N525 PolarHBondContact O-N 3.1Å; W523-L673 HydrophobicContact CD2-CD2 4.43Å; W523-L673 HydrophobicContact CE3-CD2 4.31Å; W523-L673 HydrophobicContact CE3-CG 4.26Å; W523-L673 HydrophobicContact CH2-CD2 3.38Å; W523-L673 HydrophobicContact CH2-CG 4.12Å; W523-L673 HydrophobicContact CZ2-CD2 3.51Å; W523-L673 HydrophobicContact CZ2-CG 4.43Å; W523-L673 HydrophobicContact CZ3-CD2 3.85Å; W523-L673 HydrophobicContact CZ3-CG 4.07Å; W523-C675 HydrophobicContact CE3-CB 4.3Å; W523-C675 VanDerWaalsContact CE3-O 3.29Å; W523-C675 HydrophobicContact CH2-CB 4.28Å; W523-C675 HydrophobicContact CZ3-CB 3.55Å; W523-C675 WeakPolarHBondContact CZ3-O 3.39Å; W523-I680 HydrophobicContact CH2-CB 4.03Å; W523-I680 HydrophobicContact CH2-CD1 3.73Å; W523-I680 HydrophobicContact CH2-CG1 4.46Å; W523-I680 HydrophobicContact CH2-CG2 3.55Å; W523-I680 HydrophobicContact CZ2-CB 4.38Å; W523-I680 HydrophobicContact CZ2-CD1 4.46Å; W523-I680 HydrophobicContact CZ2-CG2 3.42Å; W523-I680 VanDerWaalsContact CZ2-CG2 3.42Å; W523-I680 HydrophobicContact CZ3-CG2 4.44Å
524T64.7Low66.2Low56 Ų5657.7 Ų57.734%0.34433%0.333SS..THydrogen-bonded Turntrans-66.5-23.2-171.747.10000116I672 L673 D674T524-I672 HydrophobicContact CG2-CG2 3.48Å; T524-I672 VanDerWaalsContact CG2-CG2 3.48Å; T524-L673 PolarHBondContact N-O 3.3Å; T524-D674 WeakPolarHBondContact CB-OD1 3.36Å; T524-D674 HydrophobicContact CG2-CB 3.62Å; T524-D674 WeakPolarHBondContact CG2-OD1 3.25Å; T524-D674 PolarHBondContact OG1-OD1 2.9Å
525N54.8Low65.6Low89 Ų8957 Ų5748%0.47633%0.329SS..THydrogen-bonded Turntrans-108.717.5-164.6-77.2-58.3000115.4W523 R681W523-N525 VanDerWaalsContact C-N 3.31Å; W523-N525 PolarHBondContact O-N 3.1Å; N525-R681 PolarHBondContact O-NH2 3.22Å; N525-R681 VanDerWaalsContact O-NH2 3.08Å
526D50.3Low65.6Low27 Ų2750.7 Ų50.714%0.14430%0.3CS..SBendtrans-105.9121.6168.4-71.4-33000109.8I528 I532 R681D526-I528 PolarHBondContact O-N 3.03Å; D526-I532 HydrophobicContact CB-CB 4.35Å; D526-I532 HydrophobicContact CB-CG2 3.9Å; D526-R681 IonicContact OD1-CZ 3.92Å; D526-R681 IonicContact OD1-NE 3.68Å; D526-R681 IonicContact OD1-NH2 2.68Å; D526-R681 PolarHBondContact OD1-NH2 3.06Å
527N39.1Very low65.7Low102 Ų10251 Ų5155%0.54530%0.295SS..  trans-51.8113-179.3-81.8-42.7000110.7A529 Q530N527-A529 PolarHBondContact O-N 3.14Å; N527-A529 VanDerWaalsContact O-N 3.07Å; N527-Q530 HydrophobicContact CB-CB 4.08Å; N527-Q530 HydrophobicContact CB-CG 3.88Å; N527-Q530 PolarHBondContact ND2-OE1 2.86Å; N527-Q530 VanDerWaalsContact ND2-OE1 3.14Å; N527-Q530 PolarHBondContact O-N 3.42Å
528I40.9Very low65.8Low159 Ų15949.2 Ų49.282%0.81529%0.287SS*.G310 helixtrans-55.1-31.5178.3-60.3174000110.7D526 Q530D526-I528 PolarHBondContact O-N 3.03Å; I528-Q530 VanDerWaalsContact C-N 3.34Å; I528-Q530 PolarHBondContact O-N 3.11Å
529A35.3Very low65.8Low103 Ų10347.9 Ų47.985%0.85128%0.279SS*.G310 helixtrans-74.4-7.1177.400000116.1N527N527-A529 PolarHBondContact O-N 3.14Å; N527-A529 VanDerWaalsContact O-N 3.07Å
530Q37.4Very low65.8Low124 Ų12448 Ų4858%0.57928%0.279SS*.G310 helixtrans-106.61.7-175.7-71.8-176.7-34.700114.5N527 I528 I532N527-Q530 HydrophobicContact CB-CB 4.08Å; N527-Q530 HydrophobicContact CB-CG 3.88Å; N527-Q530 PolarHBondContact ND2-OE1 2.86Å; N527-Q530 VanDerWaalsContact ND2-OE1 3.14Å; N527-Q530 PolarHBondContact O-N 3.42Å; I528-Q530 VanDerWaalsContact C-N 3.34Å; I528-Q530 PolarHBondContact O-N 3.11Å; Q530-I532 VanDerWaalsContact C-N 3.29Å; Q530-I532 HydrophobicContact CB-CD1 3.66Å; Q530-I532 HydrophobicContact CB-CG1 3.84Å; Q530-I532 WeakPolarHBondContact O-CG1 3.49Å; Q530-I532 PolarHBondContact O-N 3.18Å
531G40Very low65.7Low63 Ų6350.2 Ų50.265%0.64929%0.294SS*.THydrogen-bonded Turntrans67.427.7-179.300000113.9R688G531-R688 PolarHBondContact O-NH2 3.46Å
532I47.9Very low65.5Low50 Ų5053.5 Ų53.526%0.25631%0.31SS..  trans-93.6-12.8-169.5-68.5179.5000113.7D526 Q530 F534 R688D526-I532 HydrophobicContact CB-CB 4.35Å; D526-I532 HydrophobicContact CB-CG2 3.9Å; Q530-I532 VanDerWaalsContact C-N 3.29Å; Q530-I532 HydrophobicContact CB-CD1 3.66Å; Q530-I532 HydrophobicContact CB-CG1 3.84Å; Q530-I532 WeakPolarHBondContact O-CG1 3.49Å; Q530-I532 PolarHBondContact O-N 3.18Å; I532-F534 PolarHBondContact O-N 2.97Å; I532-R688 PolarHBondContact O-NH1 3.14Å
533N56.5Low65.6Low56 Ų5654.5 Ų54.530%0.29932%0.316SS..  trans-69.2116.8-176-100.9-50.5000113.9L522 P535L522-N533 HydrophobicContact CD2-CB 4.16Å; N533-P535 VanDerWaalsContact O-CD 3.29Å; N533-P535 WeakPolarHBondContact O-CD 3.27Å
534F70Confident65.3Low33 Ų3359.2 Ų59.215%0.14534%0.343CS..  trans-109.484.4172.2-169.6-104000109W452 I509 I532 L684 I687 I691W452-F534 HydrophobicContact CE3-CE1 4.25Å; W452-F534 HydrophobicContact CE3-CZ 4.47Å; W452-F534 HydrophobicContact CH2-CD1 4.32Å; W452-F534 AromaticContact CH2-CE1 3.62Å; W452-F534 HydrophobicContact CH2-CE1 3.62Å; W452-F534 HydrophobicContact CZ3-CD1 4.13Å; W452-F534 AromaticContact CZ3-CE1 3.31Å; W452-F534 HydrophobicContact CZ3-CE1 3.31Å; W452-F534 AromaticContact CZ3-CZ 3.93Å; W452-F534 HydrophobicContact CZ3-CZ 3.93Å; I509-F534 HydrophobicContact CD1-CD2 4.41Å; I509-F534 HydrophobicContact CD1-CE2 3.33Å; I509-F534 HydrophobicContact CD1-CZ 3.75Å; I532-F534 PolarHBondContact O-N 2.97Å; F534-L684 HydrophobicContact CD1-CD2 4.35Å; F534-I687 HydrophobicContact CE1-CG2 3.82Å; F534-I687 HydrophobicContact CZ-CG2 3.91Å; F534-I691 HydrophobicContact CE2-CD1 3.6Å; F534-I691 HydrophobicContact CZ-CD1 3.62Å
535P76.1Confident65.3Low25 Ų2561.4 Ų61.416%0.16235%0.353CS..PPolyproline II helixtrans-66.2139.9-173.425.7-34.3000112Y511 P520 V521 L522 N533 Y537Y511-P535 PolarHBondContact OH-O 3.25Å; P520-P535 HydrophobicContact CB-CB 3.89Å; V521-P535 WeakPolarHBondContact O-CA 3.39Å; L522-P535 HydrophobicContact CD2-CB 3.92Å; N533-P535 VanDerWaalsContact O-CD 3.29Å; N533-P535 WeakPolarHBondContact O-CD 3.27Å; P535-Y537 HydrophobicContact CB-CE2 4.15Å; P535-Y537 HydrophobicContact CG-CE2 3.78Å
536I83.9Confident65.4Low1 Ų164.8 Ų64.81%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-85.2138.3158.664.2176.1000108.2W452 V521 R565 L566 I569 L684W452-I536 HydrophobicContact CH2-CG2 3.93Å; W452-I536 HydrophobicContact CZ3-CG2 4.35Å; V521-I536 HydrophobicContact CB-CD1 4.38Å; V521-I536 HydrophobicContact CB-CG1 3.71Å; V521-I536 HydrophobicContact CG1-CG1 4.47Å; V521-I536 HydrophobicContact CG2-CG1 4.11Å; V521-I536 PolarHBondContact N-O 2.87Å; V521-I536 PolarHBondContact O-N 2.9Å; I536-R565 HydrophobicContact CB-CG 4.41Å; I536-R565 HydrophobicContact CD1-CG 4.46Å; I536-L566 HydrophobicContact CD1-CD2 4.17Å; I536-I569 HydrophobicContact CG2-CD1 4.41Å; I536-L684 HydrophobicContact CG2-CD2 3.86Å
537Y88.6Confident65.8Low24 Ų2473.5 Ų73.59%0.09441%0.413CS..EExtended strand (participates in β ladder)trans-98.7135173.8-76.6-94.6000110.6Y494 P496 Y511 L513 P518 I519 P520 P535 R565Y494-Y537 HydrophobicContact CD1-CD1 4.13Å; Y494-Y537 HydrophobicContact CD1-CE1 4.41Å; Y494-Y537 HydrophobicContact CD1-CG 4.24Å; Y494-Y537 AromaticContact CE1-CD1 3.58Å; Y494-Y537 HydrophobicContact CE1-CD1 3.58Å; Y494-Y537 HydrophobicContact CE1-CD2 4.37Å; Y494-Y537 AromaticContact CE1-CE1 3.45Å; Y494-Y537 HydrophobicContact CE1-CE1 3.45Å; Y494-Y537 VanDerWaalsContact CE1-CE1 3.45Å; Y494-Y537 HydrophobicContact CE1-CE2 4.27Å; Y494-Y537 HydrophobicContact CE1-CG 4.04Å; Y494-Y537 AromaticContact CE1-CZ 3.82Å; P496-Y537 HydrophobicContact CB-CE2 4.34Å; P496-Y537 HydrophobicContact CG-CD2 4.4Å; P496-Y537 HydrophobicContact CG-CE2 3.59Å; Y511-Y537 HydrophobicContact CD1-CD2 4.04Å; Y511-Y537 HydrophobicContact CD2-CD2 4.1Å; Y511-Y537 AromaticContact CE1-CD2 3.82Å; Y511-Y537 HydrophobicContact CE1-CD2 3.82Å; Y511-Y537 AromaticContact CE2-CD2 3.91Å; Y511-Y537 HydrophobicContact CE2-CD2 3.91Å; Y511-Y537 HydrophobicContact CE2-CE2 4.15Å; Y511-Y537 HydrophobicContact CG-CD2 4.2Å; Y511-Y537 AromaticContact CZ-CD2 3.77Å; L513-Y537 WeakPolarHBondContact CD2-O 3.3Å; P518-Y537 HydrophobicContact CB-CD1 4.27Å; I519-Y537 WeakPolarHBondContact O-CA 3.25Å; P520-Y537 HydrophobicContact CB-CD1 4.16Å; P520-Y537 HydrophobicContact CB-CE1 3.65Å; P520-Y537 HydrophobicContact CB-CE2 4.42Å; P520-Y537 HydrophobicContact CG-CE1 4.07Å; P535-Y537 HydrophobicContact CB-CE2 4.15Å; P535-Y537 HydrophobicContact CG-CE2 3.78Å; Y537-R565 WeakPolarHBondContact O-CD 3.27Å
538I89.1Confident67Low1 Ų170.3 Ų70.31%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-10715616462.8171.3000108.8P518 I519 V521 L540 L558 H561 I562 R565 I671P518-I538 CarbonylContact C-O 3.51Å; P518-I538 VanDerWaalsContact CA-O 3.31Å; P518-I538 WeakPolarHBondContact CA-O 3.33Å; I519-I538 HydrophobicContact CB-CG1 4.25Å; I519-I538 PolarHBondContact N-O 2.84Å; I519-I538 PolarHBondContact O-N 3.24Å; V521-I538 HydrophobicContact CG2-CG1 4.35Å; V521-I538 HydrophobicContact CG2-CG2 4.19Å; I538-L540 HydrophobicContact CD1-CD2 4.03Å; I538-L540 HydrophobicContact CD1-CG 4.37Å; I538-L558 HydrophobicContact CD1-CD2 4.27Å; I538-H561 HydrophobicContact CB-CB 4.3Å; I538-H561 HydrophobicContact CD1-CB 4.12Å; I538-H561 HydrophobicContact CG2-CB 4.48Å; I538-H561 WeakPolarHBondContact CG2-O 3.34Å; I538-I562 HydrophobicContact CD1-CG1 4.23Å; I538-I562 HydrophobicContact CG2-CG1 4.12Å; I538-R565 HydrophobicContact CG2-CB 4.05Å; I538-I671 HydrophobicContact CD1-CD1 3.62Å; I538-I671 HydrophobicContact CG1-CD1 4.41Å
539S88.7Confident68.9Low2 Ų267.7 Ų67.71%0.01439%0.39CS..EExtended strand (participates in β ladder)trans-114.6133171.8-177.60000109.4T514 G516 F517 H561T514-S539 WeakPolarHBondContact O-CB 3.4Å; T514-S539 PolarHBondContact O-OG 2.86Å; G516-S539 VanDerWaalsContact C-OG 3.29Å; G516-S539 VanDerWaalsContact CA-OG 3.26Å; G516-S539 WeakPolarHBondContact CA-OG 3.45Å; G516-S539 PolarHBondContact N-OG 3.07Å; F517-S539 WeakPolarHBondContact O-CA 3.48Å; S539-H561 PolarHBondContact O-CE1 2.91Å; S539-H561 PolarHBondContact O-ND1 3.18Å
540L88.3Confident71.2Confident1 Ų163.8 Ų63.81%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-114.4139.9-179.7-61.1-177.9000110.6G516 F517 I519 I538 I542 I551 V553 L558 H561G516-L540 CarbonylContact C-O 3.48Å; G516-L540 VanDerWaalsContact CA-O 3.28Å; G516-L540 WeakPolarHBondContact CA-O 3.37Å; F517-L540 PolarHBondContact N-O 3.04Å; F517-L540 PolarHBondContact O-N 3.05Å; I519-L540 HydrophobicContact CD1-CD1 3.55Å; I519-L540 HydrophobicContact CD1-CG 4.42Å; I519-L540 HydrophobicContact CG1-CD1 4.28Å; I538-L540 HydrophobicContact CD1-CD2 4.03Å; I538-L540 HydrophobicContact CD1-CG 4.37Å; L540-I542 PolarHBondContact O-N 2.79Å; L540-I551 HydrophobicContact CB-CG2 3.65Å; L540-I551 HydrophobicContact CD1-CG2 3.96Å; L540-I551 HydrophobicContact CG-CG2 4.47Å; L540-V553 HydrophobicContact CD1-CG1 3.71Å; L540-L558 HydrophobicContact CD1-CD2 3.73Å; L540-L558 HydrophobicContact CD2-CD2 4.23Å; L540-H561 HydrophobicContact CD2-CB 4.05Å
541P85Confident73.4Confident71 Ų7157.9 Ų57.946%0.46133%0.328SS..PPolyproline II helixtrans-64.9136.9-179.427.7-34.6000111.5
542I82.7Confident75.4Confident68 Ų6857.1 Ų57.135%0.34931%0.311SS..PPolyproline II helixtrans-89.5130.8175.6-60.3173000108.7F517 L540 M549F517-I542 HydrophobicContact CB-CD1 4.08Å; F517-I542 HydrophobicContact CB-CG1 3.89Å; L540-I542 PolarHBondContact O-N 2.79Å; I542-M549 HydrophobicContact CG2-CB 3.74Å; I542-M549 HydrophobicContact CG2-CG 3.93Å; I542-M549 HydrophobicContact CG2-SD 4.4Å
543N81.3Confident77.2Confident61 Ų6154.8 Ų54.833%0.32630%0.299SS..EExtended strand (participates in β ladder)trans-94.2120.5169.9-60.8-46.5000108.8D545 T550 T552N543-D545 PolarHBondContact O-N 3.33Å; N543-T550 PolarHBondContact N-O 3.22Å; N543-T550 PolarHBondContact O-N 3.41Å; N543-T552 WeakPolarHBondContact ND2-CB 3.27Å; N543-T552 PolarHBondContact ND2-N 3.37Å; N543-T552 PolarHBondContact ND2-OG1 3.48Å
544D71Confident78.5Confident128 Ų12852.7 Ų52.768%0.68429%0.289SS*.EExtended strand (participates in β ladder)trans-96.686-176.8-155.324.5000110.1
545D64.1Low79.1Confident101 Ų10152.7 Ų52.754%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-98.5158.8-178.6-80.9-34.6000111.7N543 K547 G548N543-D545 PolarHBondContact O-N 3.33Å; D545-K547 PolarHBondContact O-N 3.37Å; D545-G548 PolarHBondContact O-N 2.95Å
546V56.9Low79.5Confident160 Ų16054.7 Ų54.797%0.9730%0.298SS*.THydrogen-bonded Turntrans-57.2-14179.1-174.80000113.8
547K58.3Low79.6Confident210 Ų21057.1 Ų57.191%0.91331%0.311SS*.THydrogen-bonded Turntrans-95.11176.7-70.2-177.5176.51780114.4D545D545-K547 PolarHBondContact O-N 3.37Å
548G66Low79.6Confident36 Ų3656 Ų5637%0.37131%0.307SS..EExtended strand (participates in β ladder)trans109.1169.3-174.400000112.7D545 T550D545-G548 PolarHBondContact O-N 2.95Å; G548-T550 PolarHBondContact O-N 2.98Å
549M79.1Confident79.5Confident104 Ų10456.4 Ų56.451%0.51231%0.308SS..EExtended strand (participates in β ladder)trans-66.5125.9-177.5-68.3175.517800111.8I542 C665I542-M549 HydrophobicContact CG2-CB 3.74Å; I542-M549 HydrophobicContact CG2-CG 3.93Å; I542-M549 HydrophobicContact CG2-SD 4.4Å; M549-C665 HydrophobicContact CB-CB 3.95Å; M549-C665 PolarHBondContact O-N 3.39Å; M549-C665 VanDerWaalsContact O-N 3.1Å
550T83.7Confident79.4Confident20 Ų2062 Ų6212%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-131.7162.3175.468.50000112N543 G548 S662 L663N543-T550 PolarHBondContact N-O 3.22Å; N543-T550 PolarHBondContact O-N 3.41Å; G548-T550 PolarHBondContact O-N 2.98Å; T550-S662 WeakPolarHBondContact CB-OG 3.49Å; T550-S662 PolarHBondContact OG1-OG 2.79Å; T550-L663 CarbonylContact C-O 3.59Å; T550-L663 WeakPolarHBondContact CA-O 3.45Å; T550-L663 WeakPolarHBondContact CB-O 3.43Å
551I83.8Confident79.4Confident1 Ų163.5 Ų63.51%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-118.5123175.4-44.3167.8000107.1F517 I519 L540 V553 S662 L663 C665F517-I551 HydrophobicContact CB-CD1 3.61Å; F517-I551 HydrophobicContact CB-CG1 4.23Å; F517-I551 HydrophobicContact CD1-CD1 3.3Å; F517-I551 HydrophobicContact CD2-CD1 4.11Å; F517-I551 HydrophobicContact CE1-CD1 3.9Å; F517-I551 HydrophobicContact CG-CD1 3.42Å; F517-I551 VanDerWaalsContact CG-CD1 3.42Å; F517-I551 HydrophobicContact CG-CG1 4.39Å; I519-I551 HydrophobicContact CD1-CD1 4.43Å; L540-I551 HydrophobicContact CB-CG2 3.65Å; L540-I551 HydrophobicContact CD1-CG2 3.96Å; L540-I551 HydrophobicContact CG-CG2 4.47Å; I551-V553 HydrophobicContact CB-CG1 4.46Å; I551-V553 HydrophobicContact CG2-CG1 3.72Å; I551-S662 WeakPolarHBondContact O-CA 3.49Å; I551-L663 HydrophobicContact CB-CB 4.34Å; I551-L663 PolarHBondContact N-O 3.2Å; I551-L663 PolarHBondContact O-N 2.96Å; I551-C665 VanDerWaalsContact CG1-SG 3.54Å
552T83.6Confident79.5Confident47 Ų4760.1 Ų60.129%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-95116174.6-54.40000109.4N543 L660 I661N543-T552 WeakPolarHBondContact ND2-CB 3.27Å; N543-T552 PolarHBondContact ND2-N 3.37Å; N543-T552 PolarHBondContact ND2-OG1 3.48Å; T552-L660 HydrophobicContact CG2-CB 3.8Å; T552-L660 HydrophobicContact CG2-CD1 4.4Å; T552-L660 HydrophobicContact CG2-CD2 3.88Å; T552-L660 HydrophobicContact CG2-CG 4.23Å; T552-I661 CarbonylContact C-O 3.47Å; T552-I661 WeakPolarHBondContact CA-O 3.36Å
553V84.2Confident79.7Confident1 Ų157.4 Ų57.41%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-121.1153.7-176.3-54.10000112L540 I551 L558 L644 L660 I661 L663L540-V553 HydrophobicContact CD1-CG1 3.71Å; I551-V553 HydrophobicContact CB-CG1 4.46Å; I551-V553 HydrophobicContact CG2-CG1 3.72Å; V553-L558 HydrophobicContact CB-CD2 4.36Å; V553-L558 HydrophobicContact CB-CG 4.49Å; V553-L558 HydrophobicContact CG1-CD2 4.29Å; V553-L644 HydrophobicContact CG2-CD2 4.21Å; V553-L660 CarbonylContact O-C 3.56Å; V553-L660 WeakPolarHBondContact O-CA 3.26Å; V553-I661 HydrophobicContact CG2-CB 4Å; V553-I661 PolarHBondContact N-O 2.9Å; V553-I661 PolarHBondContact O-N 3.16Å; V553-L663 HydrophobicContact CG1-CD1 3.91Å; V553-L663 HydrophobicContact CG2-CD1 3.79Å; V553-L663 HydrophobicContact CG2-CG 4.14Å
554S83.7Confident79.8Confident12 Ų1257.4 Ų57.48%0.08430%0.304CS..  trans-139.7166.216167.10000107.9D556 I557 L558S554-D556 VanDerWaalsContact C-N 3.3Å; S554-D556 PolarHBondContact O-N 2.92Å; S554-I557 PolarHBondContact O-N 2.83Å; S554-I557 VanDerWaalsContact O-N 3.1Å; S554-I557 WeakPolarHBondContact OG-CG1 3.34Å; S554-I557 PolarHBondContact OG-N 2.87Å; S554-L558 WeakPolarHBondContact O-CG 3.32Å; S554-L558 PolarHBondContact O-N 2.88Å
555E83.5Confident80.4Confident33 Ų3351.3 Ų51.315%0.15427%0.271CS..Hα-helixtrans-55.3-46.1176.7-162.7-167.4-17500111.6I557 L558 I559 G640 L642E555-I557 VanDerWaalsContact C-N 3.29Å; E555-I557 PolarHBondContact O-N 2.84Å; E555-L558 PolarHBondContact O-N 3.4Å; E555-L558 VanDerWaalsContact O-N 3.13Å; E555-I559 HydrophobicContact CG-CD1 3.94Å; E555-I559 HydrophobicContact CG-CG1 4.35Å; E555-I559 WeakPolarHBondContact O-CB 3.46Å; E555-I559 VanDerWaalsContact O-CG1 3.28Å; E555-I559 WeakPolarHBondContact O-CG1 3.3Å; E555-I559 PolarHBondContact O-N 2.85Å; E555-G640 PolarHBondContact OE1-N 2.89Å; E555-L642 HydrophobicContact CG-CD1 4.14Å
556D84.9Confident81.2Confident66 Ų6646.6 Ų46.635%0.35325%0.246SC..Hα-helixtrans-60.2-34.5177.8-70.1-22.6000112.6S554 K560 K639 N658S554-D556 VanDerWaalsContact C-N 3.3Å; S554-D556 PolarHBondContact O-N 2.92Å; D556-K560 WeakPolarHBondContact O-CB 3.44Å; D556-K560 PolarHBondContact O-N 2.65Å; D556-K639 IonicContact OD1-NZ 2.85Å; D556-K639 PolarHBondContact OD1-NZ 3.13Å; D556-K639 IonicContact OD2-NZ 3.97Å; D556-N658 PolarHBondContact OD2-OD1 3.42Å
557I85.8Confident82.3Confident53 Ų5342.1 Ų42.127%0.27221%0.214SC..Hα-helixtrans-68.6-45.5174.3-68.2168.9000110.7S554 E555 K560 H561 L660S554-I557 PolarHBondContact O-N 2.83Å; S554-I557 VanDerWaalsContact O-N 3.1Å; S554-I557 WeakPolarHBondContact OG-CG1 3.34Å; S554-I557 PolarHBondContact OG-N 2.87Å; E555-I557 VanDerWaalsContact C-N 3.29Å; E555-I557 PolarHBondContact O-N 2.84Å; I557-K560 PolarHBondContact O-N 2.86Å; I557-H561 PolarHBondContact O-CD2 2.82Å; I557-H561 VanDerWaalsContact O-CD2 3.29Å; I557-H561 PolarHBondContact O-N 2.79Å; I557-L660 HydrophobicContact CD1-CD2 4.04Å
558L87.5Confident83Confident1 Ų132.8 Ų32.81%0.00518%0.177CC..Hα-helixtrans-63.9-46.1178.3-63.9-179.3000111.1I538 L540 V553 S554 E555 K560 H561 I562 L642 L653 I671I538-L558 HydrophobicContact CD1-CD2 4.27Å; L540-L558 HydrophobicContact CD1-CD2 3.73Å; L540-L558 HydrophobicContact CD2-CD2 4.23Å; V553-L558 HydrophobicContact CB-CD2 4.36Å; V553-L558 HydrophobicContact CB-CG 4.49Å; V553-L558 HydrophobicContact CG1-CD2 4.29Å; S554-L558 WeakPolarHBondContact O-CG 3.32Å; S554-L558 PolarHBondContact O-N 2.88Å; E555-L558 PolarHBondContact O-N 3.4Å; E555-L558 VanDerWaalsContact O-N 3.13Å; L558-K560 VanDerWaalsContact C-N 3.29Å; L558-K560 PolarHBondContact O-N 2.88Å; L558-H561 PolarHBondContact O-N 2.85Å; L558-I562 WeakPolarHBondContact O-CB 3.45Å; L558-I562 WeakPolarHBondContact O-CD1 3.33Å; L558-I562 WeakPolarHBondContact O-CG1 3.35Å; L558-I562 PolarHBondContact O-N 2.85Å; L558-L642 HydrophobicContact CB-CD1 4.1Å; L558-L653 HydrophobicContact CD1-CD1 3.9Å; L558-I671 HydrophobicContact CD1-CD1 4.31Å; L558-I671 HydrophobicContact CD2-CD1 3.89Å
559I87.3Confident83.1Confident8 Ų831.5 Ų31.54%0.04116%0.161CC..Hα-helixtrans-53.3-48.1173.8-70.5170.5000110.2E555 I562 I563 A635 L638 K639 L642E555-I559 HydrophobicContact CG-CD1 3.94Å; E555-I559 HydrophobicContact CG-CG1 4.35Å; E555-I559 WeakPolarHBondContact O-CB 3.46Å; E555-I559 VanDerWaalsContact O-CG1 3.28Å; E555-I559 WeakPolarHBondContact O-CG1 3.3Å; E555-I559 PolarHBondContact O-N 2.85Å; I559-I562 PolarHBondContact O-N 3.45Å; I559-I563 HydrophobicContact CG2-CD1 3.63Å; I559-I563 HydrophobicContact CG2-CG1 4.37Å; I559-I563 WeakPolarHBondContact O-CB 3.44Å; I559-I563 VanDerWaalsContact O-CG1 3.25Å; I559-I563 WeakPolarHBondContact O-CG1 3.44Å; I559-I563 PolarHBondContact O-N 3.38Å; I559-A635 HydrophobicContact CG2-CB 4.11Å; I559-L638 HydrophobicContact CG1-CB 4.06Å; I559-L638 HydrophobicContact CG2-CB 4.4Å; I559-L638 HydrophobicContact CG2-CD1 4.31Å; I559-K639 HydrophobicContact CD1-CB 3.86Å; I559-K639 HydrophobicContact CD1-CG 4.19Å; I559-L642 HydrophobicContact CD1-CD1 4.47Å; I559-L642 HydrophobicContact CG1-CD1 3.55Å
560K87.6Confident82.7Confident120 Ų12028 Ų2852%0.52215%0.152SC..Hα-helixtrans-58.8-53.2178.5-176.7-167.9169.5-162.90112.1D556 I557 L558 I562 I563 D564D556-K560 WeakPolarHBondContact O-CB 3.44Å; D556-K560 PolarHBondContact O-N 2.65Å; I557-K560 PolarHBondContact O-N 2.86Å; L558-K560 VanDerWaalsContact C-N 3.29Å; L558-K560 PolarHBondContact O-N 2.88Å; K560-I562 VanDerWaalsContact C-N 3.28Å; K560-I562 PolarHBondContact O-N 3.05Å; K560-I563 PolarHBondContact O-N 3.32Å; K560-I563 VanDerWaalsContact O-N 3.17Å; K560-D564 PolarHBondContact O-N 2.85Å
561H87.6Confident82.1Confident32 Ų3227.5 Ų27.515%0.14815%0.149CC..Hα-helixtrans-66.2-31-177.9-78.3-114.9000112.5I538 S539 L540 I557 L558 R565I538-H561 HydrophobicContact CB-CB 4.3Å; I538-H561 HydrophobicContact CD1-CB 4.12Å; I538-H561 HydrophobicContact CG2-CB 4.48Å; I538-H561 WeakPolarHBondContact CG2-O 3.34Å; S539-H561 PolarHBondContact O-CE1 2.91Å; S539-H561 PolarHBondContact O-ND1 3.18Å; L540-H561 HydrophobicContact CD2-CB 4.05Å; I557-H561 PolarHBondContact O-CD2 2.82Å; I557-H561 VanDerWaalsContact O-CD2 3.29Å; I557-H561 PolarHBondContact O-N 2.79Å; L558-H561 PolarHBondContact O-N 2.85Å; H561-R565 PolarHBondContact O-N 3.33Å; H561-R565 VanDerWaalsContact O-N 3.1Å
562I87.3Confident81.3Confident0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-67.2-46.7171.4-67.6167.9000110.5V521 I538 L558 I559 K560 D564 R565 L566 L638 L642 I671V521-I562 HydrophobicContact CG1-CD1 4.33Å; V521-I562 HydrophobicContact CG2-CD1 4.3Å; V521-I562 HydrophobicContact CG2-CG1 4.06Å; I538-I562 HydrophobicContact CD1-CG1 4.23Å; I538-I562 HydrophobicContact CG2-CG1 4.12Å; L558-I562 WeakPolarHBondContact O-CB 3.45Å; L558-I562 WeakPolarHBondContact O-CD1 3.33Å; L558-I562 WeakPolarHBondContact O-CG1 3.35Å; L558-I562 PolarHBondContact O-N 2.85Å; I559-I562 PolarHBondContact O-N 3.45Å; K560-I562 VanDerWaalsContact C-N 3.28Å; K560-I562 PolarHBondContact O-N 3.05Å; I562-D564 PolarHBondContact O-N 2.86Å; I562-R565 CarbonylContact O-C 3.52Å; I562-R565 PolarHBondContact O-N 2.88Å; I562-L566 HydrophobicContact CG2-CD1 3.9Å; I562-L566 HydrophobicContact CG2-CG 4.22Å; I562-L566 VanDerWaalsContact O-CG 3.3Å; I562-L566 WeakPolarHBondContact O-CG 3.23Å; I562-L566 PolarHBondContact O-N 3.08Å; I562-L638 HydrophobicContact CB-CD1 4.23Å; I562-L638 HydrophobicContact CG2-CD1 3.71Å; I562-L638 HydrophobicContact CG2-CD2 4.49Å; I562-L642 HydrophobicContact CD1-CD1 4.11Å; I562-L642 HydrophobicContact CD1-CD2 3.57Å; I562-I671 HydrophobicContact CD1-CG2 4.32Å
563I86.1Confident80.1Confident12 Ų1231.9 Ų31.96%0.06218%0.178CC..Hα-helixtrans-61.5-43.9176.8-70.5171.2000111I559 K560 R565 L566 H567 L634 A635 L638I559-I563 HydrophobicContact CG2-CD1 3.63Å; I559-I563 HydrophobicContact CG2-CG1 4.37Å; I559-I563 WeakPolarHBondContact O-CB 3.44Å; I559-I563 VanDerWaalsContact O-CG1 3.25Å; I559-I563 WeakPolarHBondContact O-CG1 3.44Å; I559-I563 PolarHBondContact O-N 3.38Å; K560-I563 PolarHBondContact O-N 3.32Å; K560-I563 VanDerWaalsContact O-N 3.17Å; I563-R565 VanDerWaalsContact C-N 3.28Å; I563-R565 PolarHBondContact O-N 2.9Å; I563-L566 PolarHBondContact O-N 2.82Å; I563-L566 VanDerWaalsContact O-N 3.14Å; I563-H567 WeakPolarHBondContact O-CB 3.22Å; I563-H567 PolarHBondContact O-CD2 3.06Å; I563-H567 PolarHBondContact O-N 2.86Å; I563-L634 HydrophobicContact CD1-CB 3.93Å; I563-L634 HydrophobicContact CG1-CB 3.93Å; I563-L634 HydrophobicContact CG2-CD1 4.44Å; I563-A635 HydrophobicContact CD1-CB 3.99Å; I563-L638 HydrophobicContact CD1-CD1 4.36Å; I563-L638 HydrophobicContact CG1-CD1 3.81Å
564D83.9Confident78.5Confident61 Ų6136.5 Ų36.533%0.32620%0.199SC..Hα-helixtrans-59.1-40.5176.5-71.8-26.6000110.8W454 K560 I562 A568W454-D564 HydrophobicContact CH2-CB 4.27Å; W454-D564 HydrophobicContact CZ2-CB 4.45Å; K560-D564 PolarHBondContact O-N 2.85Å; I562-D564 PolarHBondContact O-N 2.86Å; D564-A568 WeakPolarHBondContact O-CB 3.27Å; D564-A568 PolarHBondContact O-N 2.96Å
565R84.4Confident76.5Confident0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-70.1-39.1173.2-171.269-168.5-179.16113W452 W454 E512 I536 Y537 I538 H561 I562 I563 A568 I569W452-R565 VanDerWaalsContact CG-NH2 3.35Å; W452-R565 PolarHBondContact O-NH2 2.85Å; W454-R565 HydrophobicContact CZ3-CB 4.48Å; E512-R565 PolarHBondContact O-NH1 2.69Å; I536-R565 HydrophobicContact CB-CG 4.41Å; I536-R565 HydrophobicContact CD1-CG 4.46Å; Y537-R565 WeakPolarHBondContact O-CD 3.27Å; I538-R565 HydrophobicContact CG2-CB 4.05Å; H561-R565 PolarHBondContact O-N 3.33Å; H561-R565 VanDerWaalsContact O-N 3.1Å; I562-R565 CarbonylContact O-C 3.52Å; I562-R565 PolarHBondContact O-N 2.88Å; I563-R565 VanDerWaalsContact C-N 3.28Å; I563-R565 PolarHBondContact O-N 2.9Å; R565-A568 WeakPolarHBondContact O-CB 3.44Å; R565-A568 PolarHBondContact O-N 3.46Å; R565-I569 WeakPolarHBondContact O-CG2 3.46Å; R565-I569 PolarHBondContact O-N 3.15Å
566L80.9Confident74.2Confident2 Ų245.3 Ų45.31%0.0126%0.257CS..Hα-helixtrans-63.5-43.1176.2-71.8173.7000111.1I536 I562 I563 I569 G570 I571 L638 I680I536-L566 HydrophobicContact CD1-CD2 4.17Å; I562-L566 HydrophobicContact CG2-CD1 3.9Å; I562-L566 HydrophobicContact CG2-CG 4.22Å; I562-L566 VanDerWaalsContact O-CG 3.3Å; I562-L566 WeakPolarHBondContact O-CG 3.23Å; I562-L566 PolarHBondContact O-N 3.08Å; I563-L566 PolarHBondContact O-N 2.82Å; I563-L566 VanDerWaalsContact O-N 3.14Å; L566-I569 HydrophobicContact CD2-CD1 4.37Å; L566-I569 VanDerWaalsContact O-CG1 3.24Å; L566-I569 WeakPolarHBondContact O-CG1 3.33Å; L566-I569 PolarHBondContact O-N 3.42Å; L566-G570 PolarHBondContact O-N 3.27Å; L566-I571 CarbonylContact C-O 3.59Å; L566-I571 HydrophobicContact CB-CB 4.22Å; L566-I571 HydrophobicContact CB-CG2 4.42Å; L566-I571 HydrophobicContact CD2-CD1 3.84Å; L566-I571 WeakPolarHBondContact O-CB 3.44Å; L566-I571 PolarHBondContact O-N 3.06Å; L566-L638 HydrophobicContact CD1-CD1 4.44Å; L566-I680 HydrophobicContact CD1-CD1 4.45Å; L566-I680 HydrophobicContact CD2-CG2 4.31Å
567H79.5Confident71.7Confident65 Ų6549.2 Ų49.230%0.30128%0.283SS..Hα-helixtrans-61.9-43.7173.1-76.2-164000111.6I563 I569 G570 I571I563-H567 WeakPolarHBondContact O-CB 3.22Å; I563-H567 PolarHBondContact O-CD2 3.06Å; I563-H567 PolarHBondContact O-N 2.86Å; H567-I569 PolarHBondContact O-N 2.93Å; H567-G570 PolarHBondContact O-N 3.06Å; H567-I571 PolarHBondContact CD2-O 2.98Å; H567-I571 VanDerWaalsContact CD2-O 3.31Å
568A72.4Confident69.1Low15 Ų1551.8 Ų51.812%0.12431%0.305CS..Hα-helixtrans-58.5-27.7176.600000113.8W454 D564 R565W454-A568 WeakPolarHBondContact O-CB 2.81Å; D564-A568 WeakPolarHBondContact O-CB 3.27Å; D564-A568 PolarHBondContact O-N 2.96Å; R565-A568 WeakPolarHBondContact O-CB 3.44Å; R565-A568 PolarHBondContact O-N 3.46Å
569I68.6Low66.4Low8 Ų856.5 Ų56.54%0.04134%0.338CS..THydrogen-bonded Turntrans-97.43.1177.472.4176.5000113.4W452 S459 I536 R565 L566 H567 I571W452-I569 VanDerWaalsContact CE2-CG2 3.48Å; W452-I569 HydrophobicContact CH2-CD1 4.46Å; W452-I569 HydrophobicContact CZ2-CB 4.02Å; W452-I569 HydrophobicContact CZ2-CD1 3.89Å; W452-I569 HydrophobicContact CZ2-CG2 3.57Å; S459-I569 WeakPolarHBondContact CB-O 3.32Å; S459-I569 PolarHBondContact OG-O 2.8Å; I536-I569 HydrophobicContact CG2-CD1 4.41Å; R565-I569 WeakPolarHBondContact O-CG2 3.46Å; R565-I569 PolarHBondContact O-N 3.15Å; L566-I569 HydrophobicContact CD2-CD1 4.37Å; L566-I569 VanDerWaalsContact O-CG1 3.24Å; L566-I569 WeakPolarHBondContact O-CG1 3.33Å; L566-I569 PolarHBondContact O-N 3.42Å; H567-I569 PolarHBondContact O-N 2.93Å; I569-I571 HydrophobicContact CD1-CD1 3.83Å; I569-I571 HydrophobicContact CG1-CD1 4.01Å; I569-I571 HydrophobicContact CG1-CG1 4.26Å
570G69.8Low63.6Low32 Ų3263.3 Ų63.333%0.3338%0.38SS..THydrogen-bonded Turntrans9015.5173.800000115.7L566 H567L566-G570 PolarHBondContact O-N 3.27Å; H567-G570 PolarHBondContact O-N 3.06Å
571I72.7Confident60.9Low9 Ų962.2 Ų62.25%0.04639%0.387CS..  trans-91.7108173.7-63.6169.7000107.9L566 H567 I569 I680 R683L566-I571 CarbonylContact C-O 3.59Å; L566-I571 HydrophobicContact CB-CB 4.22Å; L566-I571 HydrophobicContact CB-CG2 4.42Å; L566-I571 HydrophobicContact CD2-CD1 3.84Å; L566-I571 WeakPolarHBondContact O-CB 3.44Å; L566-I571 PolarHBondContact O-N 3.06Å; H567-I571 PolarHBondContact CD2-O 2.98Å; H567-I571 VanDerWaalsContact CD2-O 3.31Å; I569-I571 HydrophobicContact CD1-CD1 3.83Å; I569-I571 HydrophobicContact CG1-CD1 4.01Å; I569-I571 HydrophobicContact CG1-CG1 4.26Å; I571-I680 HydrophobicContact CD1-CB 4.38Å; I571-I680 HydrophobicContact CD1-CG1 4.24Å; I571-I680 HydrophobicContact CD1-CG2 4Å; I571-I680 HydrophobicContact CG2-CG1 4.09Å; I571-R683 HydrophobicContact CD1-CB 4.23Å; I571-R683 HydrophobicContact CG1-CB 4.49Å; I571-R683 HydrophobicContact CG1-CG 4.3Å
572T65.6Low58.3Low74 Ų7468.1 Ų68.145%0.45442%0.42SS..  trans-121.2-22-169.853.40000115.3
573S59.5Low55.6Low65 Ų6572.2 Ų72.246%0.45545%0.454SS..  trans-169.4160.2173.547.80000112.1
574E50.5Low53Low98 Ų9876.8 Ų76.846%0.45849%0.487SS..PPolyproline II helixtrans-70.7144.7170.3-72-164.2143.400112.1
575P40.8Very low50.6Low91 Ų9183.1 Ų83.159%0.59151%0.512SS*.PPolyproline II helixtrans-71.4134.2168.329.7-32.8000111V577P575-V577 PolarHBondContact O-N 3.45Å
576T36.5Very low48.1Very low139 Ų13989.7 Ų89.785%0.85355%0.546SS*.PPolyproline II helixtrans-61.3130.7-179.429.70000112.8S578T576-S578 PolarHBondContact O-N 3.47Å
577V31.8Very low45.7Very low149 Ų14997.8 Ų97.890%0.90358%0.584SS**  trans-64.7104.3174.5179.60000110.3P575 S579P575-V577 PolarHBondContact O-N 3.45Å; V577-S579 PolarHBondContact O-N 2.96Å
578S30.9Very low43.3Very low106 Ų106103.3 Ų103.374%0.74161%0.61SS**  trans-80.998.9172.156.70000111.2T576T576-S578 PolarHBondContact O-N 3.47Å
579S31.2Very low41.4Very low100 Ų100111.2 Ų111.270%0.69964%0.644SS**  trans35.8115.5148.558.50000119.9V577V577-S579 PolarHBondContact O-N 2.96Å
580V28.9Very low39.5Very low152 Ų152118.1 Ų118.192%0.92168%0.681SS**  trans-48.3125.2161.5178.60000113.8
581S30.9Very low37.6Very low96 Ų96120 Ų12067%0.67169%0.694SS**  trans-169.9157.8142.343.70000111.3
582D32Very low35.6Very low156 Ų156126.2 Ų126.283%0.83473%0.727SS**  trans66.984174.5-56.3-14000116.4
583A31.4Very low34Very low86 Ų86129.7 Ų129.771%0.71174%0.743SS**  83.190.561.300000115.9
584S29.8Very low32.6Very low108 Ų108130.8 Ų130.876%0.75575%0.75SS**  trans51.4108.1138.862.30000121.2
585K34.5Very low31.6Very low195 Ų195132.7 Ų132.785%0.84877%0.769SS**  trans-172110.3133-97151.7-174.6-177.90106.9
586L32.3Very low31Very low138 Ų138134.4 Ų134.472%0.72378%0.777SS**  57.2107.998.5-64.6169.8000111
587E29Very low30.7Very low172 Ų172133 Ų13380%0.80477%0.773SS**  53114.683.6-65.2-177.4163.300109.1
588E30.1Very low30.4Very low180 Ų180131.7 Ų131.784%0.84177%0.769SS**  cis-138.4-17329.7-69.8159.2129.400108.2
589E31.7Very low30.3Very low181 Ų181131.7 Ų131.785%0.84677%0.769SS**  cis-168.9174.235-153.1169.7-160.200111.5
590N28.8Very low30.2Very low153 Ų153134.6 Ų134.682%0.81878%0.776SS**  trans-74.9156.6-168.9-82.7-60.8000116.7
591A29.8Very low30.2Very low73 Ų73131.2 Ų131.260%0.60376%0.759SS**  trans46.9125.2138.900000120.5
592N32Very low30.3Very low139 Ų139132.6 Ų132.674%0.74376%0.759SS**  173.1148.1100.8-90.2-51.8000111.4
593N31.8Very low30.2Very low146 Ų146133.6 Ų133.678%0.78176%0.756SS**  trans57.2152.1143.4-66.5-10.5000120
594S30.4Very low30.3Very low88 Ų88137.5 Ų137.562%0.61576%0.76SS**  cis171.3119.7-18.256.60000105.5
595V28.3Very low30.6Very low139 Ų139137.9 Ų137.984%0.84276%0.762SS**  trans64.3150.8148.9-157.70000119.7
596V28.4Very low30.3Very low126 Ų126135.8 Ų135.876%0.76476%0.76SS**  trans107.7131149.2-163.90000118.6
597S31Very low30.6Very low111 Ų111134.3 Ų134.378%0.77676%0.759SS**  trans86.1117.6151.448.60000122.5
598C24.5Very low30.9Very low121 Ų121134.4 Ų134.482%0.81876%0.759SS**  trans-60.9158.2158.1-450000113.8
599S30.3Very low31.3Very low106 Ų106130.3 Ų130.374%0.74175%0.748SS**  179.2129.5130-740000107
600L28.7Very low31.6Very low160 Ų160129.6 Ų129.684%0.83875%0.751SS**  46.7126.683.9-67.7167.9000112.3
601S29.1Very low31.8Very low82 Ų82131.7 Ų131.757%0.57375%0.752SS**  cis-171.9178.38.439.90000112.5
602D31.5Very low32.2Very low125 Ų125133 Ų13367%0.66876%0.755SS**  trans101.9147.9142.1-55.6-46.5000124.4
603F31.6Very low32.3Very low176 Ų176133.7 Ų133.777%0.77276%0.758SS**  trans89.788.9157.7-60.2-64.1000121.5
604H33.4Very low32.2Very low169 Ų169132.4 Ų132.478%0.78276%0.756SS**  29.2133.6117.9-66.1-79.3000118.4
605S34.9Very low32.2Very low115 Ų115134 Ų13480%0.80476%0.762SS**  -167.4151.855.4-53.80000113.8
606N29.6Very low32.3Very low151 Ų151131.9 Ų131.981%0.80775%0.754SS**  trans-87.7-170.9162.5-123.1-17.6000109.4
607P38.1Very low32.3Very low108 Ų108131.3 Ų131.370%0.70175%0.75SS**  cis-137.1160.21.822.73.5000118.1
608Q35.5Very low32.2Very low173 Ų173132.8 Ų132.881%0.80875%0.749SS**  31.9172.9125.5-100.7-153.7-10.500123.6
609P38.2Very low32.6Very low94 Ų94134.3 Ų134.361%0.6175%0.749SS**  -133-174.7-63.837.3-17.3000113.1
610D36.8Very low32.5Very low167 Ų167138.2 Ų138.289%0.89375%0.753SS**  trans-165.4158140.7-109.4-28.9000114.4
611K33Very low32.5Very low197 Ų197136.4 Ų136.486%0.85774%0.744SS**  trans-125.5-168.5-176.8-83.3-176.3170.6178.20110.1
612P40Very low32.4Very low101 Ų101140.1 Ų140.166%0.65675%0.752SS**  -125.3-173.9-70.340-24.3000111.6
613N33.6Very low32.4Very low152 Ų152140.1 Ų140.181%0.81376%0.762SS**  trans177.6150.6132.1-91.7-22.4000115.7
614T28.7Very low32.2Very low119 Ų119141.4 Ų141.473%0.7377%0.767SS**  trans-51.1167.7166.5310000115.1
615T30.9Very low31.8Very low122 Ų122142 Ų14275%0.74877%0.77SS**  cis-167.4157.535.7-22.10000114
616S30.5Very low31.5Very low95 Ų95143.1 Ų143.166%0.66477%0.773SS**  trans66.4125.7140.368.20000125.8
617T29Very low31.5Very low113 Ų113142.1 Ų142.169%0.69377%0.772SS**  trans76111130.852.60000123.7
618D28.6Very low31.2Very low142 Ų142146 Ų14676%0.75978%0.781SS**  90.4145117.5-67.2-14.8000124.6
619L32.5Very low31Very low154 Ų154141.3 Ų141.381%0.80678%0.779SS**  trans90.296.3156.8-69.5146.8000120.9
620F27.9Very low31.1Very low188 Ų188140.6 Ų140.683%0.82577%0.773SS**  59109.8124.1-89.5-102.8000121.7
621D28.2Very low31.5Very low122 Ų122136 Ų13665%0.65275%0.751SS**  100.9143.6115.3-148.318.8000121
622Q27Very low32.5Very low160 Ų160129 Ų12975%0.74873%0.734SS**  trans56.899.2166.2-37.8-166.914.300119.9
623S31.9Very low33.9Very low125 Ų125128.7 Ų128.787%0.87473%0.727SS**  -164.2114.5118.325.10000112.7
624K27.4Very low35.9Very low202 Ų202121.7 Ų121.788%0.87869%0.69SS**  trans-75.8123.5160.4-74174.5172177.80108.6
625Q26Very low38.3Very low181 Ų181117.6 Ų117.685%0.84667%0.668SS**  trans173.6161.6140.4-96.8159.217.600111
626T27.3Very low40.6Very low139 Ų139115.2 Ų115.285%0.85366%0.656SS**  trans75.565171.163.70000120.2
627T30Very low42.9Very low131 Ų131111.7 Ų111.780%0.80463%0.63SS**  trans-142.730.315741.10000114.3
628E31.5Very low45.4Very low189 Ų189106.3 Ų106.388%0.88360%0.597SS**  trans-103.24.1-177.3-69.3-178.4151.300114.9
629G33.1Very low48Very low74 Ų74103.7 Ų103.776%0.76358%0.579SS**SBendtrans-87.8-24.5-173.600000116.8
630T39.6Very low50.2Low80 Ų8099.6 Ų99.649%0.49157%0.574SS.*SBendtrans-100-35.4-164.1-22.60000113.9G632T630-G632 PolarHBondContact O-N 3.05Å
631T45Very low52.7Low71 Ų7195.7 Ų95.744%0.43655%0.554SS.*THydrogen-bonded Turntrans-70.1-29.6-175.640.50000113.7N633 L634 A635T631-N633 PolarHBondContact O-N 3.23Å; T631-L634 PolarHBondContact O-N 3.03Å; T631-A635 PolarHBondContact O-N 3.34Å
632G54Low55.4Low48 Ų4890.6 Ų90.650%0.49553%0.527SS..Hα-helixtrans-60.9-27.3-17700000114.4T630 S636T630-G632 PolarHBondContact O-N 3.05Å; G632-S636 PolarHBondContact O-N 3.03Å; G632-S636 PolarHBondContact O-OG 3.23Å
633N68.8Low58Low95 Ų9584.2 Ų84.251%0.50850%0.499SS..Hα-helixtrans-87.3-24.5-173-150.432.1000114T631 S636 L637T631-N633 PolarHBondContact O-N 3.23Å; N633-S636 WeakPolarHBondContact CA-OG 3.26Å; N633-S636 PolarHBondContact O-OG 3.34Å; N633-L637 PolarHBondContact O-N 3.35Å
634L75.5Confident60.6Low6 Ų678.3 Ų78.33%0.03146%0.458CS..Hα-helixtrans-81.5-34.1168.6-73.2172.9000111.1I563 T631 S636 L637 L638I563-L634 HydrophobicContact CD1-CB 3.93Å; I563-L634 HydrophobicContact CG1-CB 3.93Å; I563-L634 HydrophobicContact CG2-CD1 4.44Å; T631-L634 PolarHBondContact O-N 3.03Å; L634-S636 PolarHBondContact O-N 2.97Å; L634-L637 HydrophobicContact CD2-CD2 4.2Å; L634-L637 WeakPolarHBondContact O-CB 3.2Å; L634-L637 PolarHBondContact O-N 2.92Å; L634-L638 WeakPolarHBondContact O-CG 3.32Å; L634-L638 PolarHBondContact O-N 3.08Å; L634-L638 VanDerWaalsContact O-N 3.16Å
635A80.7Confident63.2Low33 Ų3371.9 Ų71.927%0.27343%0.43SS..Hα-helixtrans-61.9-43.417500000111.8I559 I563 T631 L637 L638 K639I559-A635 HydrophobicContact CG2-CB 4.11Å; I563-A635 HydrophobicContact CD1-CB 3.99Å; T631-A635 PolarHBondContact O-N 3.34Å; A635-L637 VanDerWaalsContact C-N 3.31Å; A635-L637 PolarHBondContact O-N 3.29Å; A635-L638 PolarHBondContact O-N 3Å; A635-K639 WeakPolarHBondContact O-CB 3.47Å; A635-K639 PolarHBondContact O-N 2.82Å
636S78.8Confident66Low71 Ų7163.5 Ų63.550%0.49739%0.391SS..Hα-helixtrans-66.9-27.6174.559.40000113.9G632 N633 L634G632-S636 PolarHBondContact O-N 3.03Å; G632-S636 PolarHBondContact O-OG 3.23Å; N633-S636 WeakPolarHBondContact CA-OG 3.26Å; N633-S636 PolarHBondContact O-OG 3.34Å; L634-S636 PolarHBondContact O-N 2.97Å
637L77.4Confident68.2Low22 Ų2262.1 Ų62.112%0.11538%0.382CS..Hα-helixtrans-72.2-31.7176-171.379.8000112.6N633 L634 A635 R641 I680N633-L637 PolarHBondContact O-N 3.35Å; L634-L637 HydrophobicContact CD2-CD2 4.2Å; L634-L637 WeakPolarHBondContact O-CB 3.2Å; L634-L637 PolarHBondContact O-N 2.92Å; A635-L637 VanDerWaalsContact C-N 3.31Å; A635-L637 PolarHBondContact O-N 3.29Å; L637-R641 VanDerWaalsContact O-CD 3.31Å; L637-R641 WeakPolarHBondContact O-CD 3.45Å; L637-R641 PolarHBondContact O-NH1 3.32Å; L637-I680 HydrophobicContact CD2-CD1 4.18Å
638L82.3Confident70.5Confident0 Ų063.1 Ų63.10%037%0.371CS..Hα-helixtrans-95.3-29.2-175.2-63.1175.2000113.4I559 I562 I563 L566 L634 A635 R641 L673I559-L638 HydrophobicContact CG1-CB 4.06Å; I559-L638 HydrophobicContact CG2-CB 4.4Å; I559-L638 HydrophobicContact CG2-CD1 4.31Å; I562-L638 HydrophobicContact CB-CD1 4.23Å; I562-L638 HydrophobicContact CG2-CD1 3.71Å; I562-L638 HydrophobicContact CG2-CD2 4.49Å; I563-L638 HydrophobicContact CD1-CD1 4.36Å; I563-L638 HydrophobicContact CG1-CD1 3.81Å; L566-L638 HydrophobicContact CD1-CD1 4.44Å; L634-L638 WeakPolarHBondContact O-CG 3.32Å; L634-L638 PolarHBondContact O-N 3.08Å; L634-L638 VanDerWaalsContact O-N 3.16Å; A635-L638 PolarHBondContact O-N 3Å; L638-R641 WeakPolarHBondContact O-CB 3.48Å; L638-R641 PolarHBondContact O-N 3.29Å; L638-R641 VanDerWaalsContact O-N 3.13Å; L638-L673 HydrophobicContact CD2-CD1 3.61Å; L638-L673 HydrophobicContact CD2-CD2 3.52Å; L638-L673 HydrophobicContact CD2-CG 4.23Å
639K82.3Confident72.6Confident86 Ų8656.2 Ų56.237%0.37435%0.351SS..THydrogen-bonded Turntrans-63.8133.1-176.5-167.6156.6-169.5142.40112.3D556 I559 A635 R641D556-K639 IonicContact OD1-NZ 2.85Å; D556-K639 PolarHBondContact OD1-NZ 3.13Å; D556-K639 IonicContact OD2-NZ 3.97Å; I559-K639 HydrophobicContact CD1-CB 3.86Å; I559-K639 HydrophobicContact CD1-CG 4.19Å; A635-K639 WeakPolarHBondContact O-CB 3.47Å; A635-K639 PolarHBondContact O-N 2.82Å; K639-R641 VanDerWaalsContact C-N 3.31Å
640G79.4Confident74.8Confident69 Ų6957.7 Ų57.771%0.71134%0.338SS*.THydrogen-bonded Turntrans75.311.6-173.600000114.7E555E555-G640 PolarHBondContact OE1-N 2.89Å
641R81.1Confident76.7Confident106 Ų10657.4 Ų57.440%0.433%0.333SS..  trans-129.19.9-173.4-53.7-173.9-173.6164.6-12.5114.7L637 L638 K639 L673 D674L637-R641 VanDerWaalsContact O-CD 3.31Å; L637-R641 WeakPolarHBondContact O-CD 3.45Å; L637-R641 PolarHBondContact O-NH1 3.32Å; L638-R641 WeakPolarHBondContact O-CB 3.48Å; L638-R641 PolarHBondContact O-N 3.29Å; L638-R641 VanDerWaalsContact O-N 3.13Å; K639-R641 VanDerWaalsContact C-N 3.31Å; R641-L673 HydrophobicContact CB-CD1 4.18Å; R641-L673 WeakPolarHBondContact O-CA 3.31Å; R641-D674 VanDerWaalsContact CD-O 3.31Å; R641-D674 WeakPolarHBondContact CD-O 3.44Å; R641-D674 PolarHBondContact O-N 2.97Å
642L83.5Confident78.3Confident15 Ų1558 Ų588%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-103.8129.8178.6-64.1172.3000110.5E555 L558 I559 I562 L653 I671 L673E555-L642 HydrophobicContact CG-CD1 4.14Å; L558-L642 HydrophobicContact CB-CD1 4.1Å; I559-L642 HydrophobicContact CD1-CD1 4.47Å; I559-L642 HydrophobicContact CG1-CD1 3.55Å; I562-L642 HydrophobicContact CD1-CD1 4.11Å; I562-L642 HydrophobicContact CD1-CD2 3.57Å; L642-L653 HydrophobicContact CB-CD1 4.11Å; L642-I671 HydrophobicContact CD2-CG2 3.72Å; L642-L673 HydrophobicContact CD2-CB 4.19Å; L642-L673 HydrophobicContact CD2-CD1 3.83Å; L642-L673 HydrophobicContact CD2-CG 4.45Å
643C83.3Confident79.1Confident26 Ų2657.5 Ų57.518%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-125.6116.9176.6174.60000108.6K645 D651 I672C643-K645 WeakPolarHBondContact SG-CE 3.39Å; C643-D651 PolarHBondContact SG-OD2 2.89Å; C643-I672 HydrophobicContact CB-CB 4.31Å; C643-I672 PolarHBondContact N-O 2.79Å; C643-I672 PolarHBondContact O-N 3.42Å
644L85.3Confident78.5Confident1 Ų156.2 Ų56.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-100.4114.1-174.3173.467.9000109V553 D651 W652 L653 L663 I671V553-L644 HydrophobicContact CG2-CD2 4.21Å; L644-D651 PolarHBondContact N-OD1 2.87Å; L644-D651 WeakPolarHBondContact O-CA 3.4Å; L644-W652 HydrophobicContact CB-CB 4.36Å; L644-W652 HydrophobicContact CD2-CB 3.89Å; L644-W652 HydrophobicContact CG-CB 4.15Å; L644-W652 PolarHBondContact O-N 3.24Å; L644-L653 HydrophobicContact CB-CD1 3.61Å; L644-L653 HydrophobicContact CB-CG 3.77Å; L644-L663 HydrophobicContact CD2-CD1 3.7Å; L644-L663 HydrophobicContact CD2-CD2 4.13Å; L644-I671 HydrophobicContact CD1-CG1 3.75Å
645K83.3Confident77.4Confident66 Ų6665.6 Ų65.629%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-115.3139.3-176.3-59-164.2-177.1-1740113.5C643 H650 Y669 S670 I672C643-K645 WeakPolarHBondContact SG-CE 3.39Å; K645-H650 VanDerWaalsContact CA-O 3.27Å; K645-H650 WeakPolarHBondContact CA-O 3.35Å; K645-Y669 CarbonylContact O-C 3.57Å; K645-Y669 VanDerWaalsContact O-CA 3.27Å; K645-Y669 WeakPolarHBondContact O-CA 3.3Å; K645-S670 PolarHBondContact N-O 3.12Å; K645-S670 PolarHBondContact O-N 3.26Å; K645-I672 HydrophobicContact CD-CD1 3.79Å; K645-I672 HydrophobicContact CG-CD1 4.36Å
646D83Confident75.9Confident6 Ų667.6 Ų67.63%0.03237%0.372CS..EExtended strand (participates in β ladder)trans-77.6176.2164.574.10.9000111.8R648 G649 H650 Y669D646-R648 PolarHBondContact O-N 3.26Å; D646-R648 VanDerWaalsContact O-N 3.14Å; D646-R648 WeakPolarHBondContact OD1-CA 2.85Å; D646-R648 WeakPolarHBondContact OD1-CB 3.44Å; D646-R648 PolarHBondContact OD1-N 3.47Å; D646-R648 IonicContact OD2-CZ 2.93Å; D646-R648 IonicContact OD2-NE 3.42Å; D646-R648 PolarHBondContact OD2-NE 3.28Å; D646-R648 IonicContact OD2-NH2 2.79Å; D646-R648 PolarHBondContact OD2-NH2 2.97Å; D646-G649 PolarHBondContact O-N 2.88Å; D646-G649 PolarHBondContact OD1-N 2.58Å; D646-H650 PolarHBondContact N-O 2.95Å; D646-H650 IonicContact OD1-CG 3.98Å; D646-H650 PolarHBondContact OD1-N 3Å; D646-H650 IonicContact OD1-ND1 3.46Å; D646-H650 PolarHBondContact OD1-ND1 2.84Å; D646-H650 IonicContact OD2-CE1 3.59Å; D646-H650 IonicContact OD2-CG 2.79Å; D646-H650 IonicContact OD2-ND1 3.21Å; D646-H650 PolarHBondContact OD2-ND1 2.92Å; D646-Y669 HydrophobicContact CB-CD1 4.29Å; D646-Y669 HydrophobicContact CB-CE1 4.36Å
647T74.5Confident74.8Confident109 Ų10972.3 Ų72.367%0.66939%0.386SS*.THydrogen-bonded Turntrans-60.8-16.517551.30000114.9A668T647-A668 HydrophobicContact CG2-CB 3.8Å; T647-A668 PolarHBondContact N-O 3.28Å
648R77.9Confident73.9Confident152 Ų15275.9 Ų75.957%0.57441%0.405SS*.THydrogen-bonded Turntrans-92.7-5.6177.5-58.6169.7-68.2-142.7-13.8111.8D646 H650 D667D646-R648 PolarHBondContact O-N 3.26Å; D646-R648 VanDerWaalsContact O-N 3.14Å; D646-R648 WeakPolarHBondContact OD1-CA 2.85Å; D646-R648 WeakPolarHBondContact OD1-CB 3.44Å; D646-R648 PolarHBondContact OD1-N 3.47Å; D646-R648 IonicContact OD2-CZ 2.93Å; D646-R648 IonicContact OD2-NE 3.42Å; D646-R648 PolarHBondContact OD2-NE 3.28Å; D646-R648 IonicContact OD2-NH2 2.79Å; D646-R648 PolarHBondContact OD2-NH2 2.97Å; R648-H650 PolarHBondContact NE-CE1 3.39Å; R648-H650 PolarHBondContact NE-ND1 3.01Å; R648-D667 IonicContact NH2-OD2 3.87Å; R648-D667 PolarHBondContact NH2-OD2 3.26Å
649G75.7Confident73.2Confident44 Ų4479.2 Ų79.245%0.45443%0.426SS..  trans84.48.9-179.400000114.9D646D646-G649 PolarHBondContact O-N 2.88Å; D646-G649 PolarHBondContact OD1-N 2.58Å
650H79.5Confident72.8Confident106 Ų10680.8 Ų80.849%0.49144%0.437SS..  trans-69.6131.4175.2-56.8117.8000110.4K645 D646 R648K645-H650 VanDerWaalsContact CA-O 3.27Å; K645-H650 WeakPolarHBondContact CA-O 3.35Å; D646-H650 PolarHBondContact N-O 2.95Å; D646-H650 IonicContact OD1-CG 3.98Å; D646-H650 PolarHBondContact OD1-N 3Å; D646-H650 IonicContact OD1-ND1 3.46Å; D646-H650 PolarHBondContact OD1-ND1 2.84Å; D646-H650 IonicContact OD2-CE1 3.59Å; D646-H650 IonicContact OD2-CG 2.79Å; D646-H650 IonicContact OD2-ND1 3.21Å; D646-H650 PolarHBondContact OD2-ND1 2.92Å; R648-H650 PolarHBondContact NE-CE1 3.39Å; R648-H650 PolarHBondContact NE-ND1 3.01Å
651D80.4Confident72.8Confident74 Ų7478.9 Ų78.940%0.39641%0.411SS..BIsolated β-bridgetrans-83.3128.8173.2-165.2-9.7000110.7C643 L644 L653C643-D651 PolarHBondContact SG-OD2 2.89Å; L644-D651 PolarHBondContact N-OD1 2.87Å; L644-D651 WeakPolarHBondContact O-CA 3.4Å; D651-L653 PolarHBondContact OD1-N 3.16Å
652W77.8Confident72.8Confident82 Ų8276.9 Ų76.931%0.31141%0.413SS..SBendtrans-98.7-12.4178.9-69.977.4000113L644 I661 L663 Y669L644-W652 HydrophobicContact CB-CB 4.36Å; L644-W652 HydrophobicContact CD2-CB 3.89Å; L644-W652 HydrophobicContact CG-CB 4.15Å; L644-W652 PolarHBondContact O-N 3.24Å; W652-I661 HydrophobicContact CE3-CG2 3.85Å; W652-I661 HydrophobicContact CZ3-CG2 4.46Å; W652-I661 WeakPolarHBondContact O-CD1 3.33Å; W652-L663 HydrophobicContact CB-CD2 4.44Å; W652-L663 HydrophobicContact CD2-CD2 3.72Å; W652-L663 HydrophobicContact CE3-CD2 3.53Å; W652-L663 HydrophobicContact CG-CD2 4.14Å; W652-L663 HydrophobicContact CZ3-CD2 3.99Å; W652-Y669 HydrophobicContact CZ2-CE1 4.36Å
653L70.9Confident72.8Confident38 Ų3876.2 Ų76.220%0.19941%0.41CS..SBendtrans-99.321.4-178.9-76.9171000113.6L558 L642 L644 D651 E655 I661L558-L653 HydrophobicContact CD1-CD1 3.9Å; L642-L653 HydrophobicContact CB-CD1 4.11Å; L644-L653 HydrophobicContact CB-CD1 3.61Å; L644-L653 HydrophobicContact CB-CG 3.77Å; D651-L653 PolarHBondContact OD1-N 3.16Å; L653-E655 PolarHBondContact O-N 3.49Å; L653-I661 HydrophobicContact CD2-CD1 3.9Å
654A55.8Low72.8Confident69 Ų6977.3 Ų77.357%0.5742%0.417SS*.  trans-68.9116.2-176.700000113.6S656A654-S656 PolarHBondContact O-N 3.32Å
655E52.1Low72.6Confident203 Ų20378.7 Ų78.795%0.94943%0.426SS*.SBendtrans44.850.5158.7-61.8-168.5167.900118.6L653L653-E655 PolarHBondContact O-N 3.49Å
656S49.6Very low72.2Confident75 Ų7580.4 Ų80.452%0.52445%0.446SS..  trans-153.2125.8147.250.90000113.5A654 N658 T659A654-S656 PolarHBondContact O-N 3.32Å; S656-N658 PolarHBondContact O-N 2.87Å; S656-T659 PolarHBondContact OG-OG1 2.81Å; S656-T659 VanDerWaalsContact OG-OG1 3.11Å
657E55.5Low71.9Confident169 Ų16982.3 Ų82.379%0.7946%0.457SS*.THydrogen-bonded Turntrans-63.9131.1176.8-64.5-175.813800110.9T659E657-T659 PolarHBondContact O-N 2.88Å
658N58.7Low72.2Confident97 Ų9779.9 Ų79.952%0.51945%0.448SS..THydrogen-bonded Turntrans65.316.1168.8-69.812.3000118.9D556 S656D556-N658 PolarHBondContact OD2-OD1 3.42Å; S656-N658 PolarHBondContact O-N 2.87Å
659T67.1Low72.5Confident71 Ų7173.1 Ų73.144%0.43642%0.422SS..PPolyproline II helixtrans-74.3131.9165.746.80000112.2S656 E657S656-T659 PolarHBondContact OG-OG1 2.81Å; S656-T659 VanDerWaalsContact OG-OG1 3.11Å; E657-T659 PolarHBondContact O-N 2.88Å
660L75.6Confident73Confident118 Ų11872.3 Ų72.362%0.61841%0.409SS*.PPolyproline II helixtrans-75.8122.2170.7-69.6166.5000110T552 V553 I557T552-L660 HydrophobicContact CG2-CB 3.8Å; T552-L660 HydrophobicContact CG2-CD1 4.4Å; T552-L660 HydrophobicContact CG2-CD2 3.88Å; T552-L660 HydrophobicContact CG2-CG 4.23Å; V553-L660 CarbonylContact O-C 3.56Å; V553-L660 WeakPolarHBondContact O-CA 3.26Å; I557-L660 HydrophobicContact CD1-CD2 4.04Å
661I79.2Confident73.3Confident29 Ų2967.3 Ų67.315%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-102.2130.6177.9-59.9149.8000108.1T552 V553 W652 L653 L663T552-I661 CarbonylContact C-O 3.47Å; T552-I661 WeakPolarHBondContact CA-O 3.36Å; V553-I661 HydrophobicContact CG2-CB 4Å; V553-I661 PolarHBondContact N-O 2.9Å; V553-I661 PolarHBondContact O-N 3.16Å; W652-I661 HydrophobicContact CE3-CG2 3.85Å; W652-I661 HydrophobicContact CZ3-CG2 4.46Å; W652-I661 WeakPolarHBondContact O-CD1 3.33Å; L653-I661 HydrophobicContact CD2-CD1 3.9Å; I661-L663 HydrophobicContact CG2-CD2 3.71Å; I661-L663 HydrophobicContact CG2-CG 4.29Å
662S81.4Confident73.4Confident65 Ų6565.9 Ų65.946%0.45538%0.378SS..EExtended strand (participates in β ladder)trans-98.8118.4172.9-179.20000109.7T550 I551T550-S662 WeakPolarHBondContact CB-OG 3.49Å; T550-S662 PolarHBondContact OG1-OG 2.79Å; I551-S662 WeakPolarHBondContact O-CA 3.49Å
663L82.4Confident73.5Confident0 Ų062 Ų620%036%0.363CS..EExtended strand (participates in β ladder)trans-104.7126.8-177.9-57.5173.8000110T550 I551 V553 L644 W652 I661 C665 Y669T550-L663 CarbonylContact C-O 3.59Å; T550-L663 WeakPolarHBondContact CA-O 3.45Å; T550-L663 WeakPolarHBondContact CB-O 3.43Å; I551-L663 HydrophobicContact CB-CB 4.34Å; I551-L663 PolarHBondContact N-O 3.2Å; I551-L663 PolarHBondContact O-N 2.96Å; V553-L663 HydrophobicContact CG1-CD1 3.91Å; V553-L663 HydrophobicContact CG2-CD1 3.79Å; V553-L663 HydrophobicContact CG2-CG 4.14Å; L644-L663 HydrophobicContact CD2-CD1 3.7Å; L644-L663 HydrophobicContact CD2-CD2 4.13Å; W652-L663 HydrophobicContact CB-CD2 4.44Å; W652-L663 HydrophobicContact CD2-CD2 3.72Å; W652-L663 HydrophobicContact CE3-CD2 3.53Å; W652-L663 HydrophobicContact CG-CD2 4.14Å; W652-L663 HydrophobicContact CZ3-CD2 3.99Å; I661-L663 HydrophobicContact CG2-CD2 3.71Å; I661-L663 HydrophobicContact CG2-CG 4.29Å; L663-C665 PolarHBondContact O-N 3.35Å; L663-Y669 HydrophobicContact CB-CE1 4.33Å; L663-Y669 HydrophobicContact CB-CE2 4.11Å; L663-Y669 HydrophobicContact CD1-CE1 4.46Å; L663-Y669 HydrophobicContact CD2-CD1 4.49Å; L663-Y669 HydrophobicContact CD2-CE1 3.9Å; L663-Y669 HydrophobicContact CG-CE1 4.46Å
664P82.9Confident73.7Confident50 Ų5064.2 Ų64.233%0.32538%0.376SS..EExtended strand (participates in β ladder)trans-62.7132169.7-2434.1000112.2S666 D667 Y669P664-S666 PolarHBondContact O-N 3.09Å; P664-S666 VanDerWaalsContact O-N 3.13Å; P664-D667 PolarHBondContact O-N 2.94Å; P664-Y669 WeakPolarHBondContact CD-OH 3.46Å; P664-Y669 VanDerWaalsContact O-CE2 3.31Å; P664-Y669 WeakPolarHBondContact O-CE2 3.31Å; P664-Y669 PolarHBondContact O-OH 2.82Å
665C80.9Confident74.4Confident29 Ų2961.3 Ų61.320%0.19635%0.351CS..THydrogen-bonded Turntrans-68.7-3.7173.8-66.10000114F517 M549 I551 L663F517-C665 HydrophobicContact CD2-CB 4.11Å; F517-C665 HydrophobicContact CE2-CB 4.05Å; F517-C665 WeakPolarHBondContact CE2-O 3.34Å; M549-C665 HydrophobicContact CB-CB 3.95Å; M549-C665 PolarHBondContact O-N 3.39Å; M549-C665 VanDerWaalsContact O-N 3.1Å; I551-C665 VanDerWaalsContact CG1-SG 3.54Å; L663-C665 PolarHBondContact O-N 3.35Å
666S76.2Confident75Confident103 Ų10359.5 Ų59.572%0.7234%0.343SS*.THydrogen-bonded Turntrans-77-24.8177.958.30000113.9P664P664-S666 PolarHBondContact O-N 3.09Å; P664-S666 VanDerWaalsContact O-N 3.13Å
667D76.9Confident75.9Confident46 Ų4656.5 Ų56.525%0.24632%0.322CS..SBendtrans-97.7150.7-179.4-70.11.6000109.5R648 P664 Y669R648-D667 IonicContact NH2-OD2 3.87Å; R648-D667 PolarHBondContact NH2-OD2 3.26Å; P664-D667 PolarHBondContact O-N 2.94Å; D667-Y669 HydrophobicContact CB-CE1 4.4Å; D667-Y669 HydrophobicContact CB-CE2 4.16Å; D667-Y669 WeakPolarHBondContact O-CD2 3.19Å; D667-Y669 WeakPolarHBondContact O-CE2 3.33Å
668A79.4Confident76.5Confident58 Ų5853.8 Ų53.848%0.47931%0.312SS..  trans-94.2137.6172.400000110.6T647T647-A668 HydrophobicContact CG2-CB 3.8Å; T647-A668 PolarHBondContact N-O 3.28Å
669Y84.9Confident77Confident10 Ų1051.5 Ų51.54%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-120.4160.8-177.7-52.9-87.7000111.3F517 P520 K645 D646 W652 L663 P664 D667F517-Y669 HydrophobicContact CE1-CD2 4.16Å; F517-Y669 HydrophobicContact CZ-CD2 4.45Å; P520-Y669 WeakPolarHBondContact CD-O 3.45Å; K645-Y669 CarbonylContact O-C 3.57Å; K645-Y669 VanDerWaalsContact O-CA 3.27Å; K645-Y669 WeakPolarHBondContact O-CA 3.3Å; D646-Y669 HydrophobicContact CB-CD1 4.29Å; D646-Y669 HydrophobicContact CB-CE1 4.36Å; W652-Y669 HydrophobicContact CZ2-CE1 4.36Å; L663-Y669 HydrophobicContact CB-CE1 4.33Å; L663-Y669 HydrophobicContact CB-CE2 4.11Å; L663-Y669 HydrophobicContact CD1-CE1 4.46Å; L663-Y669 HydrophobicContact CD2-CD1 4.49Å; L663-Y669 HydrophobicContact CD2-CE1 3.9Å; L663-Y669 HydrophobicContact CG-CE1 4.46Å; P664-Y669 WeakPolarHBondContact CD-OH 3.46Å; P664-Y669 VanDerWaalsContact O-CE2 3.31Å; P664-Y669 WeakPolarHBondContact O-CE2 3.31Å; P664-Y669 PolarHBondContact O-OH 2.82Å; D667-Y669 HydrophobicContact CB-CE1 4.4Å; D667-Y669 HydrophobicContact CB-CE2 4.16Å; D667-Y669 WeakPolarHBondContact O-CD2 3.19Å; D667-Y669 WeakPolarHBondContact O-CE2 3.33Å
670S85.4Confident77.1Confident27 Ų2748.2 Ų48.219%0.18928%0.278CS..EExtended strand (participates in β ladder)trans-142.1141.117059.50000109.9K645K645-S670 PolarHBondContact N-O 3.12Å; K645-S670 PolarHBondContact O-N 3.26Å
671I85.4Confident76.8Confident0 Ų048.1 Ų48.10%027%0.269CS..EExtended strand (participates in β ladder)trans-99.2119.1175.1-63.1161.6000107.2I519 P520 V521 L522 I538 L558 I562 L642 L644I519-I671 HydrophobicContact CG2-CD1 3.84Å; I519-I671 HydrophobicContact CG2-CG1 3.92Å; P520-I671 PolarHBondContact O-N 3.2Å; V521-I671 CarbonylContact C-O 3.53Å; V521-I671 WeakPolarHBondContact CA-O 3.46Å; V521-I671 HydrophobicContact CG1-CB 4.33Å; V521-I671 HydrophobicContact CG1-CG2 4.14Å; V521-I671 HydrophobicContact CG2-CB 4.3Å; V521-I671 HydrophobicContact CG2-CD1 4.25Å; L522-I671 PolarHBondContact N-O 2.87Å; I538-I671 HydrophobicContact CD1-CD1 3.62Å; I538-I671 HydrophobicContact CG1-CD1 4.41Å; L558-I671 HydrophobicContact CD1-CD1 4.31Å; L558-I671 HydrophobicContact CD2-CD1 3.89Å; I562-I671 HydrophobicContact CD1-CG2 4.32Å; L642-I671 HydrophobicContact CD2-CG2 3.72Å; L644-I671 HydrophobicContact CD1-CG1 3.75Å
672I82.9Confident76.5Confident45 Ų4553.8 Ų53.823%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-95.3119.8172-59.2-178.6000107.4T524 C643 K645T524-I672 HydrophobicContact CG2-CG2 3.48Å; T524-I672 VanDerWaalsContact CG2-CG2 3.48Å; C643-I672 HydrophobicContact CB-CB 4.31Å; C643-I672 PolarHBondContact N-O 2.79Å; C643-I672 PolarHBondContact O-N 3.42Å; K645-I672 HydrophobicContact CD-CD1 3.79Å; K645-I672 HydrophobicContact CG-CD1 4.36Å
673L80.1Confident76.1Confident0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-104.4114.6178.9171.153.9000109.8V521 L522 W523 T524 L638 R641 L642 C675V521-L673 HydrophobicContact CG1-CB 4.14Å; V521-L673 HydrophobicContact CG1-CD2 4.48Å; L522-L673 PolarHBondContact O-N 2.88Å; W523-L673 HydrophobicContact CD2-CD2 4.43Å; W523-L673 HydrophobicContact CE3-CD2 4.31Å; W523-L673 HydrophobicContact CE3-CG 4.26Å; W523-L673 HydrophobicContact CH2-CD2 3.38Å; W523-L673 HydrophobicContact CH2-CG 4.12Å; W523-L673 HydrophobicContact CZ2-CD2 3.51Å; W523-L673 HydrophobicContact CZ2-CG 4.43Å; W523-L673 HydrophobicContact CZ3-CD2 3.85Å; W523-L673 HydrophobicContact CZ3-CG 4.07Å; T524-L673 PolarHBondContact N-O 3.3Å; L638-L673 HydrophobicContact CD2-CD1 3.61Å; L638-L673 HydrophobicContact CD2-CD2 3.52Å; L638-L673 HydrophobicContact CD2-CG 4.23Å; R641-L673 HydrophobicContact CB-CD1 4.18Å; R641-L673 WeakPolarHBondContact O-CA 3.31Å; L642-L673 HydrophobicContact CD2-CB 4.19Å; L642-L673 HydrophobicContact CD2-CD1 3.83Å; L642-L673 HydrophobicContact CD2-CG 4.45Å; L673-C675 HydrophobicContact CD1-CB 3.72Å; L673-C675 HydrophobicContact CD2-CB 4.41Å; L673-C675 HydrophobicContact CG-CB 3.86Å; L673-C675 PolarHBondContact O-N 3.14Å
674D76Confident75.7Confident85 Ų8556.6 Ų56.646%0.45529%0.29SS..  trans-88.870.8176-166.828.7000111.8T524 R641T524-D674 WeakPolarHBondContact CB-OD1 3.36Å; T524-D674 HydrophobicContact CG2-CB 3.62Å; T524-D674 WeakPolarHBondContact CG2-OD1 3.25Å; T524-D674 PolarHBondContact OG1-OD1 2.9Å; R641-D674 VanDerWaalsContact CD-O 3.31Å; R641-D674 WeakPolarHBondContact CD-O 3.44Å; R641-D674 PolarHBondContact O-N 2.97Å
675C69.1Low75.2Confident8 Ų857.7 Ų57.75%0.05429%0.294CS..  trans-127.3132.3-179.7175.40000111.7W523 L673W523-C675 HydrophobicContact CE3-CB 4.3Å; W523-C675 VanDerWaalsContact CE3-O 3.29Å; W523-C675 HydrophobicContact CH2-CB 4.28Å; W523-C675 HydrophobicContact CZ3-CB 3.55Å; W523-C675 WeakPolarHBondContact CZ3-O 3.39Å; L673-C675 HydrophobicContact CD1-CB 3.72Å; L673-C675 HydrophobicContact CD2-CB 4.41Å; L673-C675 HydrophobicContact CG-CB 3.86Å; L673-C675 PolarHBondContact O-N 3.14Å
676Q64.8Low74.8Confident165 Ų16560.2 Ų60.277%0.77131%0.305SS*.  trans-96.121.8-176.9-60.6-174-0.500113.3L678Q676-L678 PolarHBondContact O-N 2.89Å
677S68.6Low74.6Confident12 Ų1256.1 Ų56.18%0.08428%0.275CS..  trans-65.2110.9-176.3-1720000111.9E679 I680 R681S677-E679 VanDerWaalsContact C-N 3.28Å; S677-E679 PolarHBondContact O-N 3.21Å; S677-I680 PolarHBondContact O-N 3.33Å; S677-R681 PolarHBondContact O-N 3.07Å; S677-R681 VanDerWaalsContact O-N 3.15Å
678L68.2Low74.3Confident111 Ų11158.2 Ų58.258%0.58128%0.28SS*.Hα-helixtrans-64.5-32.1-176.9-158.281.8000112.4Q676 R682Q676-L678 PolarHBondContact O-N 2.89Å; L678-R682 WeakPolarHBondContact O-CB 3.33Å; L678-R682 WeakPolarHBondContact O-CG 3.48Å; L678-R682 PolarHBondContact O-N 3.16Å
679E68.9Low73.7Confident49 Ų4959.8 Ų59.823%0.22929%0.287CS..Hα-helixtrans-67.4-46.9177.9-178.361-163.600111S677 R681 R682 R683S677-E679 VanDerWaalsContact C-N 3.28Å; S677-E679 PolarHBondContact O-N 3.21Å; E679-R681 VanDerWaalsContact C-N 3.31Å; E679-R681 PolarHBondContact O-N 2.78Å; E679-R682 PolarHBondContact O-N 3.26Å; E679-R683 WeakPolarHBondContact O-CG 3.15Å; E679-R683 PolarHBondContact O-N 3.5Å; E679-R683 IonicContact OE1-CZ 3.41Å; E679-R683 IonicContact OE1-NE 3.76Å; E679-R683 PolarHBondContact OE1-NE 2.93Å; E679-R683 IonicContact OE1-NH2 3.69Å; E679-R683 PolarHBondContact OE1-NH2 3.09Å
680I69.8Low72.9Confident3 Ų365.7 Ų65.72%0.01532%0.315CS..Hα-helixtrans-61.7-43.5178.2-54.5178.5000110W523 L566 I571 L637 S677 R682 R683 L684W523-I680 HydrophobicContact CH2-CB 4.03Å; W523-I680 HydrophobicContact CH2-CD1 3.73Å; W523-I680 HydrophobicContact CH2-CG1 4.46Å; W523-I680 HydrophobicContact CH2-CG2 3.55Å; W523-I680 HydrophobicContact CZ2-CB 4.38Å; W523-I680 HydrophobicContact CZ2-CD1 4.46Å; W523-I680 HydrophobicContact CZ2-CG2 3.42Å; W523-I680 VanDerWaalsContact CZ2-CG2 3.42Å; W523-I680 HydrophobicContact CZ3-CG2 4.44Å; L566-I680 HydrophobicContact CD1-CD1 4.45Å; L566-I680 HydrophobicContact CD2-CG2 4.31Å; I571-I680 HydrophobicContact CD1-CB 4.38Å; I571-I680 HydrophobicContact CD1-CG1 4.24Å; I571-I680 HydrophobicContact CD1-CG2 4Å; I571-I680 HydrophobicContact CG2-CG1 4.09Å; L637-I680 HydrophobicContact CD2-CD1 4.18Å; S677-I680 PolarHBondContact O-N 3.33Å; I680-R682 PolarHBondContact O-N 2.85Å; I680-R683 PolarHBondContact O-N 2.66Å; I680-L684 HydrophobicContact CG2-CD1 4.03Å; I680-L684 HydrophobicContact CG2-CG 4.47Å; I680-L684 WeakPolarHBondContact O-CG 3.35Å; I680-L684 PolarHBondContact O-N 2.9Å
681R69.9Low72.1Confident115 Ų11565.5 Ų65.543%0.43431%0.311SS..Hα-helixtrans-63.5-40.8176.6-161.2178.8-166.1179.78.7112.7N525 D526 S677 E679 N685N525-R681 PolarHBondContact O-NH2 3.22Å; N525-R681 VanDerWaalsContact O-NH2 3.08Å; D526-R681 IonicContact OD1-CZ 3.92Å; D526-R681 IonicContact OD1-NE 3.68Å; D526-R681 IonicContact OD1-NH2 2.68Å; D526-R681 PolarHBondContact OD1-NH2 3.06Å; S677-R681 PolarHBondContact O-N 3.07Å; S677-R681 VanDerWaalsContact O-N 3.15Å; E679-R681 VanDerWaalsContact C-N 3.31Å; E679-R681 PolarHBondContact O-N 2.78Å; R681-N685 WeakPolarHBondContact O-CB 3.34Å; R681-N685 PolarHBondContact O-N 2.73Å; R681-N685 VanDerWaalsContact O-N 3.1Å; R681-N685 PolarHBondContact O-ND2 2.92Å
682R72.3Confident70.8Confident149 Ų14971.8 Ų71.856%0.56234%0.34SS*.Hα-helixtrans-60.1-51.9174-84.4178.6170.2166.7-2.3111.3L678 E679 I680 L684 N685 D686L678-R682 WeakPolarHBondContact O-CB 3.33Å; L678-R682 WeakPolarHBondContact O-CG 3.48Å; L678-R682 PolarHBondContact O-N 3.16Å; E679-R682 PolarHBondContact O-N 3.26Å; I680-R682 PolarHBondContact O-N 2.85Å; R682-L684 VanDerWaalsContact C-N 3.35Å; R682-L684 PolarHBondContact O-N 2.91Å; R682-N685 CarbonylContact O-C 3.49Å; R682-N685 WeakPolarHBondContact O-CB 3.35Å; R682-N685 PolarHBondContact O-N 3.48Å; R682-D686 VanDerWaalsContact O-CG 3.25Å; R682-D686 PolarHBondContact O-N 3.42Å
683R73.6Confident69.5Low107 Ų10776.6 Ų76.640%0.40436%0.362SS..Hα-helixtrans-59.8-41.3-179.2-65.8-60-177.4156.43.8113.3I571 E679 I680 N685 D686 I687I571-R683 HydrophobicContact CD1-CB 4.23Å; I571-R683 HydrophobicContact CG1-CB 4.49Å; I571-R683 HydrophobicContact CG1-CG 4.3Å; E679-R683 WeakPolarHBondContact O-CG 3.15Å; E679-R683 PolarHBondContact O-N 3.5Å; E679-R683 IonicContact OE1-CZ 3.41Å; E679-R683 IonicContact OE1-NE 3.76Å; E679-R683 PolarHBondContact OE1-NE 2.93Å; E679-R683 IonicContact OE1-NH2 3.69Å; E679-R683 PolarHBondContact OE1-NH2 3.09Å; I680-R683 PolarHBondContact O-N 2.66Å; R683-N685 VanDerWaalsContact C-N 3.35Å; R683-D686 PolarHBondContact O-N 2.86Å; R683-I687 VanDerWaalsContact O-CG1 3.28Å; R683-I687 WeakPolarHBondContact O-CG1 3.38Å; R683-I687 PolarHBondContact O-N 2.7Å
684L73.2Confident68.4Low16 Ų1682.7 Ų82.78%0.08439%0.39CS..Hα-helixtrans-66-37.2175.8-66.6172.9000112W452 F534 I536 I680 R682 R688W452-L684 HydrophobicContact CH2-CD2 3.98Å; F534-L684 HydrophobicContact CD1-CD2 4.35Å; I536-L684 HydrophobicContact CG2-CD2 3.86Å; I680-L684 HydrophobicContact CG2-CD1 4.03Å; I680-L684 HydrophobicContact CG2-CG 4.47Å; I680-L684 WeakPolarHBondContact O-CG 3.35Å; I680-L684 PolarHBondContact O-N 2.9Å; R682-L684 VanDerWaalsContact C-N 3.35Å; R682-L684 PolarHBondContact O-N 2.91Å; L684-R688 WeakPolarHBondContact O-CB 3.2Å; L684-R688 PolarHBondContact O-N 2.88Å
685N71.7Confident67.7Low74 Ų7479 Ų7940%0.39637%0.371SS..Hα-helixtrans-69.5-38.4174.2-75.3-24.2000113.2R681 R682 R683 I687 R688 S689R681-N685 WeakPolarHBondContact O-CB 3.34Å; R681-N685 PolarHBondContact O-N 2.73Å; R681-N685 VanDerWaalsContact O-N 3.1Å; R681-N685 PolarHBondContact O-ND2 2.92Å; R682-N685 CarbonylContact O-C 3.49Å; R682-N685 WeakPolarHBondContact O-CB 3.35Å; R682-N685 PolarHBondContact O-N 3.48Å; R683-N685 VanDerWaalsContact C-N 3.35Å; N685-I687 VanDerWaalsContact C-N 3.34Å; N685-R688 WeakPolarHBondContact O-CB 3.39Å; N685-R688 PolarHBondContact O-N 3.25Å; N685-S689 PolarHBondContact O-N 2.72Å; N685-S689 PolarHBondContact O-OG 3.13Å
686D73Confident67.1Low81 Ų8181.4 Ų81.443%0.43339%0.385SS..Hα-helixtrans-63.4-41.1175.3-64.7-26.1000111.1R682 R683 S689 H690R682-D686 VanDerWaalsContact O-CG 3.25Å; R682-D686 PolarHBondContact O-N 3.42Å; R683-D686 PolarHBondContact O-N 2.86Å; D686-S689 PolarHBondContact O-N 2.82Å; D686-S689 PolarHBondContact O-OG 2.91Å; D686-H690 PolarHBondContact O-ND1 3.17Å
687I72.2Confident66.9Low17 Ų1777.4 Ų77.49%0.08737%0.372CS..Hα-helixtrans-64.8-45.1174.6-69.5171.6000110.1W452 L461 F534 R683 N685 S689 H690 I691W452-I687 HydrophobicContact CH2-CD1 4.16Å; W452-I687 HydrophobicContact CH2-CG2 4.48Å; W452-I687 HydrophobicContact CZ2-CD1 3.5Å; W452-I687 VanDerWaalsContact CZ2-CD1 3.5Å; W452-I687 HydrophobicContact CZ2-CG2 4.49Å; L461-I687 HydrophobicContact CD1-CG2 3.65Å; L461-I687 HydrophobicContact CD2-CG2 4.47Å; L461-I687 HydrophobicContact CG-CG2 4.03Å; F534-I687 HydrophobicContact CE1-CG2 3.82Å; F534-I687 HydrophobicContact CZ-CG2 3.91Å; R683-I687 VanDerWaalsContact O-CG1 3.28Å; R683-I687 WeakPolarHBondContact O-CG1 3.38Å; R683-I687 PolarHBondContact O-N 2.7Å; N685-I687 VanDerWaalsContact C-N 3.34Å; I687-S689 VanDerWaalsContact C-N 3.34Å; I687-S689 PolarHBondContact O-N 2.81Å; I687-H690 PolarHBondContact O-N 2.96Å; I687-I691 HydrophobicContact CG2-CD1 4.49Å; I687-I691 WeakPolarHBondContact O-CG1 3.39Å
688R70.5Confident66.2Low91 Ų9182.6 Ų82.634%0.34339%0.39SS..Hα-helixtrans-58.7-40.8177.1-175.2-171.7-172.5135.58.7112.9G531 I532 L684 N685 H690 I691G531-R688 PolarHBondContact O-NH2 3.46Å; I532-R688 PolarHBondContact O-NH1 3.14Å; L684-R688 WeakPolarHBondContact O-CB 3.2Å; L684-R688 PolarHBondContact O-N 2.88Å; N685-R688 WeakPolarHBondContact O-CB 3.39Å; N685-R688 PolarHBondContact O-N 3.25Å; R688-H690 VanDerWaalsContact C-N 3.27Å; R688-H690 PolarHBondContact O-N 3.46Å; R688-I691 PolarHBondContact O-N 2.91Å
689S68.1Low65.6Low91 Ų9181 Ų8164%0.63638%0.382SS*.Hα-helixtrans-71.3-19.1-177.266.70000114N685 D686 I687 I691N685-S689 PolarHBondContact O-N 2.72Å; N685-S689 PolarHBondContact O-OG 3.13Å; D686-S689 PolarHBondContact O-N 2.82Å; D686-S689 PolarHBondContact O-OG 2.91Å; I687-S689 VanDerWaalsContact C-N 3.34Å; I687-S689 PolarHBondContact O-N 2.81Å; S689-I691 VanDerWaalsContact C-N 3.32Å
690H67.7Low64.8Low134 Ų13483.9 Ų83.962%0.6240%0.399SS*.THydrogen-bonded Turntrans-79.8-12.7173.2-77.575.2000113.9Y450 D686 I687 R688 Q692Y450-H690 PolarHBondContact OH-O 3.27Å; D686-H690 PolarHBondContact O-ND1 3.17Å; I687-H690 PolarHBondContact O-N 2.96Å; R688-H690 VanDerWaalsContact C-N 3.27Å; R688-H690 PolarHBondContact O-N 3.46Å; H690-Q692 PolarHBondContact O-N 2.86Å
691I67.4Low64.2Low23 Ų2387.9 Ų87.912%0.11842%0.417CS..  trans-89.8106.8-174.9-62.6172000108.8Y450 L461 S507 I509 F534 I687 R688 S689Y450-I691 HydrophobicContact CD1-CG1 4.39Å; Y450-I691 HydrophobicContact CD2-CG2 4.03Å; Y450-I691 HydrophobicContact CE1-CG1 4.47Å; Y450-I691 HydrophobicContact CE2-CB 4.48Å; Y450-I691 HydrophobicContact CE2-CG2 3.86Å; Y450-I691 HydrophobicContact CG-CG1 4.46Å; L461-I691 HydrophobicContact CD1-CD1 3.6Å; L461-I691 HydrophobicContact CD1-CG1 3.57Å; S507-I691 WeakPolarHBondContact OG-CG2 3.32Å; I509-I691 HydrophobicContact CD1-CD1 3.75Å; I509-I691 HydrophobicContact CG1-CD1 4.5Å; F534-I691 HydrophobicContact CE2-CD1 3.6Å; F534-I691 HydrophobicContact CZ-CD1 3.62Å; I687-I691 HydrophobicContact CG2-CD1 4.49Å; I687-I691 WeakPolarHBondContact O-CG1 3.39Å; R688-I691 PolarHBondContact O-N 2.91Å; S689-I691 VanDerWaalsContact C-N 3.32Å
692Q58.1Low64Low131 Ų13186 Ų8661%0.61242%0.419SS*.  trans-75.4143.9176.8-66.6-177.9-13.100110.3Y450 S507 H690Y450-Q692 PolarHBondContact OH-N 3.46Å; S507-Q692 PolarHBondContact OG-O 3.26Å; H690-Q692 PolarHBondContact O-N 2.86Å
693Q57.1Low64.4Low146 Ų14679.6 Ų79.668%0.68240%0.395SS*.SBendtrans-78.9127.1169.2-63.91752.100107.9
694H55.4Low65.2Low128 Ų12878.9 Ų78.959%0.59340%0.396SS*.  trans135.275.7172.3-67.5-29.3000110.2
695P61.5Low66.2Low8 Ų878.2 Ų78.25%0.05239%0.392CS..  trans-78.1-23.3-174.934.3-40.8000114.6V447 R448 A506 L508V447-P695 CarbonylContact C-O 3.47Å; V447-P695 VanDerWaalsContact CA-O 3.29Å; V447-P695 WeakPolarHBondContact CA-O 3.41Å; R448-P695 PolarHBondContact N-O 3.2Å; A506-P695 VanDerWaalsContact O-CG 3.3Å; A506-P695 WeakPolarHBondContact O-CG 3.37Å; L508-P695 HydrophobicContact CB-CB 3.95Å
696V57.5Low67.1Low58 Ų5876.7 Ų76.735%0.35239%0.387SS..EExtended strand (participates in β ladder)trans-141.2125.4-169.4-176.90000111.5Y445 T446 V447 P472Y445-V696 HydrophobicContact CD1-CG1 4.08Å; T446-V696 WeakPolarHBondContact O-CA 3.33Å; V447-V696 HydrophobicContact CG1-CG2 4.27Å; V447-V696 HydrophobicContact CG2-CG1 4.2Å; V447-V696 HydrophobicContact CG2-CG2 4.03Å; P472-V696 HydrophobicContact CG-CG1 4.1Å
697T59.2Low67.8Low82 Ų8276 Ų7650%0.50338%0.383SS..EExtended strand (participates in β ladder)trans-113.6128.5169.5-57.60000109.2Y445 T446Y445-T697 WeakPolarHBondContact CA-O 3.46Å; T446-T697 PolarHBondContact N-O 2.93Å; T446-T697 PolarHBondContact O-N 3.37Å
698R55Low68.7Low120 Ų12075.5 Ų75.545%0.45338%0.381SS..EExtended strand (participates in β ladder)trans-82.6117.5172-166.4-168.1-141.2-173.98109.1Y443 Y445Y443-R698 VanDerWaalsContact CD1-CZ 3.42Å; Y443-R698 PolarHBondContact OH-NH2 3.03Å; Y445-R698 HydrophobicContact CD1-CB 4.42Å; Y445-R698 HydrophobicContact CD1-CG 4.28Å; Y445-R698 HydrophobicContact CE1-CB 4.44Å; Y445-R698 HydrophobicContact CE1-CG 3.98Å
699L54.7Low69.8Low79 Ų7971.2 Ų71.241%0.41437%0.365SS..EExtended strand (participates in β ladder)trans-88.3114.3166.9-65.5179.7000108.6K444 T446 E701K444-L699 HydrophobicContact CB-CB 4Å; K444-L699 PolarHBondContact N-O 2.98Å; K444-L699 PolarHBondContact O-N 2.85Å; T446-L699 WeakPolarHBondContact OG1-CD1 3.44Å; T446-L699 WeakPolarHBondContact OG1-CG 3.2Å; L699-E701 PolarHBondContact O-N 3.1Å
700N53.4Low70.8Confident109 Ų10971.5 Ų71.558%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-84.6106.9165.8-66.9-11.6000107.6
701E57.4Low71.7Confident87 Ų8769.7 Ų69.741%0.40734%0.344SS..  trans-73146.8166.4-69.3-167.8137.900110.3K444 L699 L703K444-E701 HydrophobicContact CD-CG 4.16Å; K444-E701 WeakPolarHBondContact CD-OE2 3.38Å; K444-E701 WeakPolarHBondContact CE-OE2 3.17Å; K444-E701 IonicContact NZ-OE1 3.56Å; K444-E701 PolarHBondContact NZ-OE1 3.14Å; K444-E701 IonicContact NZ-OE2 3.08Å; K444-E701 PolarHBondContact NZ-OE2 3.39Å; L699-E701 PolarHBondContact O-N 3.1Å; E701-L703 PolarHBondContact O-N 2.6Å; E701-L703 VanDerWaalsContact O-N 3.15Å
702T65.1Low72.9Confident76 Ų7669.7 Ų69.747%0.46634%0.343SS..  trans-70.7109.2173.651.90000109.3E770T702-E770 WeakPolarHBondContact CB-OE1 3.48Å; T702-E770 WeakPolarHBondContact CG2-OE1 3.42Å; T702-E770 PolarHBondContact OG1-OE1 2.84Å; T702-E770 VanDerWaalsContact OG1-OE1 3.13Å
703L81.7Confident74.5Confident13 Ų1364.9 Ų64.97%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-65.7133.9177-61.8176.7000109.3I439 E441 E701 T767 L769 E770I439-L703 HydrophobicContact CG2-CD1 3.72Å; E441-L703 HydrophobicContact CG-CD1 4.17Å; E701-L703 PolarHBondContact O-N 2.6Å; E701-L703 VanDerWaalsContact O-N 3.15Å; L703-T767 HydrophobicContact CD1-CG2 3.62Å; L703-T767 HydrophobicContact CG-CG2 4.04Å; L703-L769 CarbonylContact O-C 3.58Å; L703-L769 VanDerWaalsContact O-CA 3.31Å; L703-L769 WeakPolarHBondContact O-CA 3.33Å; L703-E770 PolarHBondContact O-N 2.93Å
704K89.6Confident76.1Confident93 Ų9361.2 Ų61.240%0.40431%0.308SS..EExtended strand (participates in β ladder)trans-111.2153177.9-59.7177.5179.3176.40111.3S706 D707 C708 E770K704-S706 VanDerWaalsContact CB-OG 3.25Å; K704-S706 WeakPolarHBondContact CB-OG 3.35Å; K704-S706 PolarHBondContact O-N 3.41Å; K704-D707 WeakPolarHBondContact CB-OD2 3.49Å; K704-D707 PolarHBondContact N-OD2 2.67Å; K704-D707 PolarHBondContact O-N 3.5Å; K704-D707 VanDerWaalsContact O-N 3.08Å; K704-C708 PolarHBondContact O-N 2.97Å; K704-E770 VanDerWaalsContact CE-OE2 3.24Å; K704-E770 WeakPolarHBondContact CE-OE2 3.4Å; K704-E770 HydrophobicContact CG-CB 4.19Å
705L93.5Very high77.8Confident2 Ų260.4 Ų60.41%0.0131%0.307CS..Hα-helixtrans-59.5-31175-17463.7000112.1L437 D707 C708 F709 V750 L752 L769 E770 F771 L776 L846 Y848L437-L705 HydrophobicContact CD1-CD1 3.77Å; L705-D707 VanDerWaalsContact C-N 3.29Å; L705-D707 PolarHBondContact O-N 3.37Å; L705-C708 PolarHBondContact O-N 2.62Å; L705-F709 HydrophobicContact CD1-CD2 4.49Å; L705-F709 HydrophobicContact CD1-CE2 4.21Å; L705-F709 HydrophobicContact CD2-CE2 4.1Å; L705-F709 HydrophobicContact CG-CD2 4.05Å; L705-F709 HydrophobicContact CG-CE2 3.83Å; L705-F709 VanDerWaalsContact O-CD2 3.27Å; L705-F709 WeakPolarHBondContact O-CD2 3.16Å; L705-F709 PolarHBondContact O-N 2.99Å; L705-F709 VanDerWaalsContact O-N 3.11Å; L705-V750 HydrophobicContact CD1-CG1 4.37Å; L705-L752 HydrophobicContact CD1-CD2 3.92Å; L705-L769 HydrophobicContact CB-CD2 4.01Å; L705-L769 HydrophobicContact CD1-CD2 4.23Å; L705-E770 PolarHBondContact N-O 2.89Å; L705-F771 HydrophobicContact CB-CB 4.01Å; L705-F771 HydrophobicContact CD2-CB 3.84Å; L705-F771 HydrophobicContact CG-CB 4.44Å; L705-L776 HydrophobicContact CD2-CD1 4.2Å; L705-L776 HydrophobicContact CD2-CD2 4Å; L705-L846 HydrophobicContact CD1-CD1 4.11Å; L705-L846 HydrophobicContact CD2-CD1 3.98Å; L705-Y848 HydrophobicContact CD2-CE2 3.97Å
706S90.4Very high79.1Confident42 Ų4264.6 Ų64.629%0.29433%0.326SS..Hα-helixtrans-53.2-46.4172.139.90000112.5K704 C708 F709 E710 R781K704-S706 VanDerWaalsContact CB-OG 3.25Å; K704-S706 WeakPolarHBondContact CB-OG 3.35Å; K704-S706 PolarHBondContact O-N 3.41Å; S706-C708 VanDerWaalsContact C-N 3.3Å; S706-C708 PolarHBondContact O-N 3.09Å; S706-F709 WeakPolarHBondContact O-CB 3.33Å; S706-F709 PolarHBondContact O-N 2.79Å; S706-F709 VanDerWaalsContact O-N 3.11Å; S706-E710 PolarHBondContact O-N 3.36Å; S706-R781 PolarHBondContact O-NH2 3.1Å
707D87.8Confident80.6Confident66 Ų6668.5 Ų68.535%0.35334%0.34SS..Hα-helixtrans-72.9-33.5-171.2-34.7-21.3000109.2K704 L705 E710 R711K704-D707 WeakPolarHBondContact CB-OD2 3.49Å; K704-D707 PolarHBondContact N-OD2 2.67Å; K704-D707 PolarHBondContact O-N 3.5Å; K704-D707 VanDerWaalsContact O-N 3.08Å; L705-D707 VanDerWaalsContact C-N 3.29Å; L705-D707 PolarHBondContact O-N 3.37Å; D707-E710 PolarHBondContact O-N 3.1Å; D707-R711 WeakPolarHBondContact O-CB 3.46Å; D707-R711 PolarHBondContact O-N 3.39Å
708C92.2Very high81.9Confident6 Ų665.7 Ų65.74%0.04132%0.322CS..Hα-helixtrans-68.8-32.7172.5-58.40000112.3L437 K704 L705 S706 F712 L769L437-C708 HydrophobicContact CB-CB 4.06Å; L437-C708 HydrophobicContact CD1-CB 4.2Å; K704-C708 PolarHBondContact O-N 2.97Å; L705-C708 PolarHBondContact O-N 2.62Å; S706-C708 VanDerWaalsContact C-N 3.3Å; S706-C708 PolarHBondContact O-N 3.09Å; C708-F712 WeakPolarHBondContact O-CB 3.47Å; C708-F712 PolarHBondContact O-N 3.22Å; C708-L769 VanDerWaalsContact SG-CD1 3.53Å
709F92.6Very high82.9Confident1 Ų161.7 Ų61.70%0.00432%0.318CS..Hα-helixtrans-71.6-35.5170.3-84.8-70.4000112.7L435 L437 L705 S706 T713 L741 L748 V750 L776 L778L435-F709 HydrophobicContact CD1-CE1 3.84Å; L437-F709 HydrophobicContact CD1-CD1 4.09Å; L437-F709 HydrophobicContact CD1-CD2 3.99Å; L437-F709 HydrophobicContact CD1-CE1 4.01Å; L437-F709 HydrophobicContact CD1-CE2 3.89Å; L437-F709 HydrophobicContact CD1-CG 4.07Å; L437-F709 HydrophobicContact CD1-CZ 3.91Å; L437-F709 HydrophobicContact CD2-CD1 3.96Å; L437-F709 HydrophobicContact CD2-CE1 4.11Å; L705-F709 HydrophobicContact CD1-CD2 4.49Å; L705-F709 HydrophobicContact CD1-CE2 4.21Å; L705-F709 HydrophobicContact CD2-CE2 4.1Å; L705-F709 HydrophobicContact CG-CD2 4.05Å; L705-F709 HydrophobicContact CG-CE2 3.83Å; L705-F709 VanDerWaalsContact O-CD2 3.27Å; L705-F709 WeakPolarHBondContact O-CD2 3.16Å; L705-F709 PolarHBondContact O-N 2.99Å; L705-F709 VanDerWaalsContact O-N 3.11Å; S706-F709 WeakPolarHBondContact O-CB 3.33Å; S706-F709 PolarHBondContact O-N 2.79Å; S706-F709 VanDerWaalsContact O-N 3.11Å; F709-T713 PolarHBondContact O-N 3Å; F709-T713 PolarHBondContact O-OG1 3.16Å; F709-L741 HydrophobicContact CD1-CD1 4.22Å; F709-L741 HydrophobicContact CE1-CD1 4.45Å; F709-L748 HydrophobicContact CZ-CD2 4.21Å; F709-V750 HydrophobicContact CZ-CG2 4.3Å; F709-L776 HydrophobicContact CE2-CD2 4.32Å; F709-L778 HydrophobicContact CD1-CD2 4.35Å; F709-L778 HydrophobicContact CD2-CD2 3.85Å; F709-L778 HydrophobicContact CE1-CD1 4.18Å; F709-L778 HydrophobicContact CE1-CD2 4.24Å; F709-L778 HydrophobicContact CE2-CD1 4.37Å; F709-L778 HydrophobicContact CE2-CD2 3.75Å; F709-L778 HydrophobicContact CG-CD2 4.16Å; F709-L778 HydrophobicContact CZ-CD1 3.85Å; F709-L778 HydrophobicContact CZ-CD2 3.96Å
710E88.7Confident83.8Confident98 Ų9863.2 Ų63.246%0.45834%0.335SS..Hα-helixtrans-62.1-51.6171.9-70.5170.9-164.200109.8S706 D707 F712 T713 D714 R781S706-E710 PolarHBondContact O-N 3.36Å; D707-E710 PolarHBondContact O-N 3.1Å; E710-F712 VanDerWaalsContact C-N 3.26Å; E710-F712 PolarHBondContact O-N 2.7Å; E710-T713 CarbonylContact O-C 3.49Å; E710-T713 WeakPolarHBondContact O-CA 3.02Å; E710-T713 PolarHBondContact O-N 2.83Å; E710-T713 PolarHBondContact O-OG1 3.15Å; E710-D714 PolarHBondContact O-N 2.64Å; E710-R781 IonicContact OE1-CZ 2.85Å; E710-R781 IonicContact OE1-NH1 3.79Å; E710-R781 IonicContact OE1-NH2 3.82Å; E710-R781 PolarHBondContact OE1-NH2 3.22Å
711R87.7Confident84.9Confident95 Ų9567.7 Ų67.736%0.35834%0.344SS..Hα-helixtrans-64.6-28.5-178.2-165.548.6165.61491.2113.9P438 Q440 D707 T713 D714P438-R711 HydrophobicContact CG-CB 4.12Å; P438-R711 HydrophobicContact CG-CG 3.9Å; Q440-R711 VanDerWaalsContact CD-NE 3.25Å; Q440-R711 VanDerWaalsContact OE1-CZ 3.29Å; D707-R711 WeakPolarHBondContact O-CB 3.46Å; D707-R711 PolarHBondContact O-N 3.39Å; R711-T713 VanDerWaalsContact C-N 3.29Å; R711-D714 WeakPolarHBondContact CD-OD2 3.18Å; R711-D714 IonicContact CZ-OD2 2.91Å; R711-D714 IonicContact NE-OD2 3.66Å; R711-D714 IonicContact NH1-OD2 2.7Å; R711-D714 PolarHBondContact NH1-OD2 3.21Å
712F92.3Very high86.2Confident24 Ų2469 Ų6911%0.10535%0.353CS..Hα-helixtrans-67.7-28.3170.4-180-97.4000113.1L413 L435 I436 L437 C708 E710 F739 L741L413-F712 HydrophobicContact CD1-CE1 4.44Å; L413-F712 HydrophobicContact CD1-CZ 3.93Å; L413-F712 HydrophobicContact CD2-CE1 3.91Å; L413-F712 HydrophobicContact CD2-CZ 4.2Å; L435-F712 HydrophobicContact CD2-CE1 4.21Å; L435-F712 HydrophobicContact CD2-CZ 3.97Å; I436-F712 WeakPolarHBondContact O-CD2 3.44Å; L437-F712 HydrophobicContact CD2-CB 3.62Å; L437-F712 HydrophobicContact CD2-CD1 4.31Å; L437-F712 HydrophobicContact CD2-CD2 3.9Å; L437-F712 HydrophobicContact CD2-CG 3.68Å; C708-F712 WeakPolarHBondContact O-CB 3.47Å; C708-F712 PolarHBondContact O-N 3.22Å; E710-F712 VanDerWaalsContact C-N 3.26Å; E710-F712 PolarHBondContact O-N 2.7Å; F712-F739 HydrophobicContact CE1-CB 3.99Å; F712-F739 HydrophobicContact CE2-CD2 4.4Å; F712-F739 HydrophobicContact CZ-CB 4.23Å; F712-F739 HydrophobicContact CZ-CD2 4.25Å; F712-F739 HydrophobicContact CZ-CG 4.31Å; F712-L741 HydrophobicContact CD1-CD2 4.37Å; F712-L741 HydrophobicContact CE1-CD2 4.02Å
713T92.5Very high87.3Confident29 Ų2968.4 Ų68.418%0.17835%0.347CS..THydrogen-bonded Turntrans-95.43.2178.7560000114.5F709 E710 R711 K738 F739F709-T713 PolarHBondContact O-N 3Å; F709-T713 PolarHBondContact O-OG1 3.16Å; E710-T713 CarbonylContact O-C 3.49Å; E710-T713 WeakPolarHBondContact O-CA 3.02Å; E710-T713 PolarHBondContact O-N 2.83Å; E710-T713 PolarHBondContact O-OG1 3.15Å; R711-T713 VanDerWaalsContact C-N 3.29Å; T713-K738 WeakPolarHBondContact O-CE 3.39Å; T713-K738 WeakPolarHBondContact O-CG 3.5Å; T713-F739 VanDerWaalsContact CA-O 3.3Å; T713-F739 WeakPolarHBondContact CA-O 3.45Å
714D90.6Very high87.7Confident70 Ų7070.4 Ų70.437%0.37435%0.354SS..SBendtrans-69.4163.2174.9-81.9-16.1000112.6E710 R711E710-D714 PolarHBondContact O-N 2.64Å; R711-D714 WeakPolarHBondContact CD-OD2 3.18Å; R711-D714 IonicContact CZ-OD2 2.91Å; R711-D714 IonicContact NE-OD2 3.66Å; R711-D714 IonicContact NH1-OD2 2.7Å; R711-D714 PolarHBondContact NH1-OD2 3.21Å
715I91.2Very high87.8Confident111 Ų11171.4 Ų71.457%0.56936%0.356SS*.EExtended strand (participates in β ladder)trans-80.2119.5168-56.9176000108.3T736 K737 K738I715-T736 HydrophobicContact CG2-CG2 4.14Å; I715-K737 CarbonylContact C-O 3.49Å; I715-K737 WeakPolarHBondContact CA-O 3.17Å; I715-K738 HydrophobicContact CG1-CB 4.18Å; I715-K738 HydrophobicContact CG1-CD 4.14Å; I715-K738 HydrophobicContact CG1-CG 3.97Å
716E89Confident87.8Confident95 Ų9571.3 Ų71.344%0.44436%0.356SS..EExtended strand (participates in β ladder)trans-101.6152.2170.965.3177.7-177.300111.2T736 K737E716-T736 CarbonylContact O-C 3.54Å; E716-T736 VanDerWaalsContact O-CA 3.23Å; E716-T736 WeakPolarHBondContact O-CA 3.38Å; E716-K737 HydrophobicContact CG-CB 4Å; E716-K737 PolarHBondContact N-O 3.39Å; E716-K737 PolarHBondContact O-N 2.88Å
717Q87.9Confident87.7Confident140 Ų14071.4 Ų71.465%0.65436%0.356SS*.EExtended strand (participates in β ladder)trans-98.5126.7168.3-173.3174.820.200109.1G719Q717-G719 PolarHBondContact O-N 3.48Å
718L85.9Confident87.8Confident24 Ų2476.4 Ų76.413%0.12637%0.37CS..PPolyproline II helixtrans-65.4131.1179.9-65.8175.1000111.2W724 A735 K737L718-W724 HydrophobicContact CD1-CB 3.73Å; L718-A735 WeakPolarHBondContact CB-O 3.36Å; L718-A735 HydrophobicContact CD1-CB 4.07Å; L718-A735 WeakPolarHBondContact CG-O 3.5Å; L718-A735 PolarHBondContact N-O 3.16Å; L718-K737 HydrophobicContact CD2-CB 4.14Å; L718-K737 HydrophobicContact CD2-CD 4Å; L718-K737 HydrophobicContact CG-CB 4.27Å
719G75.9Confident87.8Confident36 Ų3678 Ų7837%0.37138%0.381SS..PPolyproline II helixtrans-69169.2-179.600000113.3Q717 R721 D722Q717-G719 PolarHBondContact O-N 3.48Å; G719-R721 PolarHBondContact O-N 2.93Å; G719-D722 PolarHBondContact O-N 3.09Å
720S75.5Confident87.8Confident110 Ų11084.9 Ų84.977%0.76941%0.411SS*.THydrogen-bonded Turntrans-63.4-13.2-177.8550000115.2
721R75.3Confident88Confident204 Ų20482 Ų8277%0.7740%0.403SS*.THydrogen-bonded Turntrans-96.2-17.6175.9-63.8-177.3179.5-178.5-1.3113.6G719G719-R721 PolarHBondContact O-N 2.93Å
722D84.2Confident88.2Confident113 Ų11383.6 Ų83.660%0.60442%0.415SS*.SBendtrans-118.633.3-170.1-54.7-65.8000111.2G719 W724G719-D722 PolarHBondContact O-N 3.09Å; D722-W724 PolarHBondContact O-N 3.14Å
723L88.3Confident88.1Confident64 Ų6484.5 Ų84.534%0.33542%0.419SS..  trans-61.5135.4-176.1-59.7177.2000111.5E732 P734L723-E732 HydrophobicContact CB-CB 3.92Å; L723-E732 HydrophobicContact CD1-CB 4.25Å; L723-P734 HydrophobicContact CD2-CB 4.02Å
724W90.5Very high88Confident55 Ų5585.8 Ų85.821%0.20843%0.428CS..EExtended strand (participates in β ladder)trans-90.8130.7-179.4176.879.8000111.8V417 C419 L718 D722 C726 E732 K733 A735V417-W724 HydrophobicContact CG1-CB 4.33Å; V417-W724 HydrophobicContact CG1-CD2 3.6Å; V417-W724 HydrophobicContact CG1-CE3 3.98Å; V417-W724 HydrophobicContact CG1-CG 3.76Å; V417-W724 HydrophobicContact CG1-CZ2 4.34Å; V417-W724 HydrophobicContact CG1-CZ3 4.46Å; C419-W724 HydrophobicContact CB-CZ3 4.05Å; L718-W724 HydrophobicContact CD1-CB 3.73Å; D722-W724 PolarHBondContact O-N 3.14Å; W724-C726 HydrophobicContact CE3-CB 3.85Å; W724-C726 HydrophobicContact CH2-CB 4.26Å; W724-C726 VanDerWaalsContact CZ3-CA 3.42Å; W724-C726 HydrophobicContact CZ3-CB 3.45Å; W724-C726 VanDerWaalsContact CZ3-CB 3.45Å; W724-C726 PolarHBondContact O-N 2.63Å; W724-E732 CarbonylContact O-C 3.57Å; W724-E732 WeakPolarHBondContact O-CA 3Å; W724-K733 PolarHBondContact N-O 2.88Å; W724-K733 PolarHBondContact O-N 2.92Å; W724-A735 HydrophobicContact CB-CB 3.9Å; W724-A735 HydrophobicContact CD2-CB 4.4Å; W724-A735 HydrophobicContact CE3-CB 4.01Å; W724-A735 HydrophobicContact CG-CB 4.41Å
725Y92.6Very high88.1Confident115 Ų11582.4 Ų82.445%0.45141%0.41SS..EExtended strand (participates in β ladder)trans-73.3106.5176.2-176.7-95.1000111.6S727 K730 E732Y725-S727 PolarHBondContact O-N 2.9Å; Y725-K730 WeakPolarHBondContact OH-CA 3.32Å; Y725-K730 WeakPolarHBondContact OH-CD 3.44Å; Y725-E732 HydrophobicContact CD2-CG 4.35Å
726C92.2Very high88.2Confident0 Ų079.4 Ų79.40%040%0.397CS..EExtended strand (participates in β ladder)trans-79.5107.4177.2-178.40000111.1C419 W724 R728 C729 K730 A731 K733C419-C726 HydrophobicContact CB-CB 4.45Å; W724-C726 HydrophobicContact CE3-CB 3.85Å; W724-C726 HydrophobicContact CH2-CB 4.26Å; W724-C726 VanDerWaalsContact CZ3-CA 3.42Å; W724-C726 HydrophobicContact CZ3-CB 3.45Å; W724-C726 VanDerWaalsContact CZ3-CB 3.45Å; W724-C726 PolarHBondContact O-N 2.63Å; C726-R728 PolarHBondContact O-N 3.06Å; C726-C729 HydrophobicContact CB-CB 3.97Å; C726-C729 PolarHBondContact O-N 3.19Å; C726-K730 WeakPolarHBondContact O-CA 3.29Å; C726-K730 PolarHBondContact O-N 2.7Å; C726-A731 PolarHBondContact N-O 2.92Å; C726-K733 HydrophobicContact CB-CG 4.03Å
727S89.7Confident88.4Confident43 Ų4377.4 Ų77.430%0.30139%0.387SS..THydrogen-bonded Turntrans-57.7-22179.761.60000115.2R424 Y725 K730R424-S727 PolarHBondContact NH1-OG 3.33Å; Y725-S727 PolarHBondContact O-N 2.9Å; S727-K730 WeakPolarHBondContact O-CD 3.49Å; S727-K730 WeakPolarHBondContact O-CE 3.2Å; S727-K730 PolarHBondContact O-NZ 2.89Å
728R90Very high88.8Confident171 Ų17173.9 Ų73.965%0.64537%0.369SS*.THydrogen-bonded Turntrans-85.2-40.9173.4-174.5179-176.6-165.56.9113C422 C726 K730C422-R728 PolarHBondContact O-NH1 3.41Å; C726-R728 PolarHBondContact O-N 3.06Å; R728-K730 VanDerWaalsContact C-N 3.34Å
729C91.8Very high89.2Confident41 Ų4174.7 Ų74.728%0.27737%0.372SS..THydrogen-bonded Turntrans-80.9-15.5176.4-65.80000113.4C726 A731C726-C729 HydrophobicContact CB-CB 3.97Å; C726-C729 PolarHBondContact O-N 3.19Å; C729-A731 HydrophobicContact CB-CB 4.49Å; C729-A731 PolarHBondContact O-N 3.41Å
730K92.2Very high90.2Very high144 Ų14474 Ų7463%0.62636%0.359SS*.THydrogen-bonded Turntrans53.633.2-170.7-58.8-61.7-175.3-167.40113.5Y725 C726 S727 R728Y725-K730 WeakPolarHBondContact OH-CA 3.32Å; Y725-K730 WeakPolarHBondContact OH-CD 3.44Å; C726-K730 WeakPolarHBondContact O-CA 3.29Å; C726-K730 PolarHBondContact O-N 2.7Å; S727-K730 WeakPolarHBondContact O-CD 3.49Å; S727-K730 WeakPolarHBondContact O-CE 3.2Å; S727-K730 PolarHBondContact O-NZ 2.89Å; R728-K730 VanDerWaalsContact C-N 3.34Å
731A91.9Very high91.2Very high37 Ų3768.8 Ų68.831%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-149.3153.5-176.600000110.9C726 C729C726-A731 PolarHBondContact N-O 2.92Å; C729-A731 HydrophobicContact CB-CB 4.49Å; C729-A731 PolarHBondContact O-N 3.41Å
732E93Very high92.1Very high129 Ų12959.9 Ų59.960%0.60329%0.289SS*.EExtended strand (participates in β ladder)trans-69.2143.3171.8-69171.8177.700111.2L723 W724 Y725L723-E732 HydrophobicContact CB-CB 3.92Å; L723-E732 HydrophobicContact CD1-CB 4.25Å; W724-E732 CarbonylContact O-C 3.57Å; W724-E732 WeakPolarHBondContact O-CA 3Å; Y725-E732 HydrophobicContact CD2-CG 4.35Å
733K90.2Very high92.6Very high44 Ų4458 Ų5819%0.19128%0.276CS..EExtended strand (participates in β ladder)trans-144.3145.7-172.5-63.3-66.3172.11760111.8T421 W724 C726 A735T421-K733 WeakPolarHBondContact OG1-CD 3.16Å; T421-K733 WeakPolarHBondContact OG1-CE 3.34Å; T421-K733 PolarHBondContact OG1-NZ 2.83Å; W724-K733 PolarHBondContact N-O 2.88Å; W724-K733 PolarHBondContact O-N 2.92Å; C726-K733 HydrophobicContact CB-CG 4.03Å; K733-A735 PolarHBondContact O-N 3.49Å
734P90.6Very high93Very high55 Ų5555.1 Ų55.136%0.35726%0.261SS..  trans-75.771.4168.133-33.7000108.6P420 L723P420-P734 HydrophobicContact CG-CG 4.41Å; P420-P734 WeakPolarHBondContact CG-O 3.16Å; L723-P734 HydrophobicContact CD2-CB 4.02Å
735A92.4Very high93.2Very high0 Ų052.8 Ų52.80%025%0.252CS..  trans-66153.8179.800000110.9V417 I418 L718 W724 K733V417-A735 HydrophobicContact CG1-CB 3.56Å; I418-A735 WeakPolarHBondContact O-CA 3.36Å; I418-A735 VanDerWaalsContact O-CB 3.3Å; I418-A735 WeakPolarHBondContact O-CB 3.46Å; L718-A735 WeakPolarHBondContact CB-O 3.36Å; L718-A735 HydrophobicContact CD1-CB 4.07Å; L718-A735 WeakPolarHBondContact CG-O 3.5Å; L718-A735 PolarHBondContact N-O 3.16Å; W724-A735 HydrophobicContact CB-CB 3.9Å; W724-A735 HydrophobicContact CD2-CB 4.4Å; W724-A735 HydrophobicContact CE3-CB 4.01Å; W724-A735 HydrophobicContact CG-CB 4.41Å; K733-A735 PolarHBondContact O-N 3.49Å
736T93.9Very high93.4Very high48 Ų4850.4 Ų50.429%0.29425%0.248SC..EExtended strand (participates in β ladder)trans-84.1143.6162.654.20000109.1V417 I418 I715 E716V417-T736 CarbonylContact C-O 3.51Å; V417-T736 WeakPolarHBondContact CA-O 3.32Å; I418-T736 PolarHBondContact N-O 2.94Å; I418-T736 PolarHBondContact O-N 2.77Å; I418-T736 VanDerWaalsContact O-N 3.1Å; I715-T736 HydrophobicContact CG2-CG2 4.14Å; E716-T736 CarbonylContact O-C 3.54Å; E716-T736 VanDerWaalsContact O-CA 3.23Å; E716-T736 WeakPolarHBondContact O-CA 3.38Å
737K93.5Very high93.7Very high53 Ų5350.6 Ų50.623%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-128.2144.9-179.6-177175.2179.1-167.60109.1T416 V417 I715 E716 L718 F739T416-K737 CarbonylContact O-C 3.55Å; T416-K737 WeakPolarHBondContact O-CA 3.44Å; V417-K737 HydrophobicContact CG2-CG 4.17Å; I715-K737 CarbonylContact C-O 3.49Å; I715-K737 WeakPolarHBondContact CA-O 3.17Å; E716-K737 HydrophobicContact CG-CB 4Å; E716-K737 PolarHBondContact N-O 3.39Å; E716-K737 PolarHBondContact O-N 2.88Å; L718-K737 HydrophobicContact CD2-CB 4.14Å; L718-K737 HydrophobicContact CD2-CD 4Å; L718-K737 HydrophobicContact CG-CB 4.27Å; K737-F739 VanDerWaalsContact NZ-CZ 3.29Å
738K94.5Very high94.1Very high65 Ų6548.5 Ų48.528%0.28323%0.234SC..EExtended strand (participates in β ladder)trans-140.4139.9175.3-162.8-158.9179.1-160.80109.2T416 T713 I715 D740T416-K738 PolarHBondContact N-O 3.1Å; T416-K738 PolarHBondContact O-N 2.62Å; T713-K738 WeakPolarHBondContact O-CE 3.39Å; T713-K738 WeakPolarHBondContact O-CG 3.5Å; I715-K738 HydrophobicContact CG1-CB 4.18Å; I715-K738 HydrophobicContact CG1-CD 4.14Å; I715-K738 HydrophobicContact CG1-CG 3.97Å; K738-D740 WeakPolarHBondContact CE-OD1 3.47Å; K738-D740 IonicContact NZ-OD1 2.74Å; K738-D740 PolarHBondContact NZ-OD1 3.32Å; K738-D740 IonicContact NZ-OD2 3.4Å
739F95.2Very high94.5Very high42 Ų4240.4 Ų40.418%0.18420%0.204CC..EExtended strand (participates in β ladder)trans-105.4140.9165.7-65.2-68.9000110.3L413 K414 S415 F712 T713 K737L413-F739 HydrophobicContact CB-CD1 4.42Å; L413-F739 HydrophobicContact CD1-CD1 3.91Å; L413-F739 HydrophobicContact CD1-CE1 4.17Å; L413-F739 HydrophobicContact CD1-CG 4.42Å; K414-F739 CarbonylContact O-C 3.57Å; K414-F739 WeakPolarHBondContact O-CA 3.37Å; S415-F739 WeakPolarHBondContact OG-CD1 3.43Å; S415-F739 WeakPolarHBondContact OG-CE1 3.38Å; F712-F739 HydrophobicContact CE1-CB 3.99Å; F712-F739 HydrophobicContact CE2-CD2 4.4Å; F712-F739 HydrophobicContact CZ-CB 4.23Å; F712-F739 HydrophobicContact CZ-CD2 4.25Å; F712-F739 HydrophobicContact CZ-CG 4.31Å; T713-F739 VanDerWaalsContact CA-O 3.3Å; T713-F739 WeakPolarHBondContact CA-O 3.45Å; K737-F739 VanDerWaalsContact NZ-CZ 3.29Å
740D96.2Very high94.8Very high21 Ų2138.5 Ų38.511%0.11219%0.191CC..EExtended strand (participates in β ladder)trans-124.1146165.2-58.3-81.7000109.7L413 K414 K738 W742 L783L413-D740 WeakPolarHBondContact CA-O 3.25Å; K414-D740 HydrophobicContact CB-CB 4.2Å; K414-D740 PolarHBondContact N-O 3.35Å; K414-D740 PolarHBondContact O-N 2.9Å; K738-D740 WeakPolarHBondContact CE-OD1 3.47Å; K738-D740 IonicContact NZ-OD1 2.74Å; K738-D740 PolarHBondContact NZ-OD1 3.32Å; K738-D740 IonicContact NZ-OD2 3.4Å; D740-W742 PolarHBondContact O-N 2.95Å; D740-W742 VanDerWaalsContact O-N 3.16Å; D740-L783 HydrophobicContact CB-CD1 3.49Å; D740-L783 VanDerWaalsContact CB-CD1 3.49Å; D740-L783 HydrophobicContact CB-CG 4.15Å
741L96.3Very high95Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-76.4103176.2-58.1177.7000109L413 L435 F709 F712 L744 R781 V782 L783L413-L741 HydrophobicContact CD2-CD2 3.69Å; L435-L741 HydrophobicContact CD1-CD2 3.99Å; F709-L741 HydrophobicContact CD1-CD1 4.22Å; F709-L741 HydrophobicContact CE1-CD1 4.45Å; F712-L741 HydrophobicContact CD1-CD2 4.37Å; F712-L741 HydrophobicContact CE1-CD2 4.02Å; L741-L744 HydrophobicContact CB-CD2 4.28Å; L741-L744 HydrophobicContact CD1-CD2 4.28Å; L741-L744 HydrophobicContact CD2-CD2 4.16Å; L741-L744 HydrophobicContact CG-CD2 4.47Å; L741-R781 HydrophobicContact CD1-CB 4.06Å; L741-V782 WeakPolarHBondContact O-CA 3.35Å; L741-L783 PolarHBondContact O-N 3.22Å
742W96Very high95.1Very high17 Ų1730.5 Ų30.56%0.06415%0.149CC..EExtended strand (participates in β ladder)trans-82.2-51.2-179.8-172.6-98.9000111.7D386 I387 A390 Q412 K414 F429 D740 V782 L783 E784D386-W742 HydrophobicContact CB-CH2 3.59Å; D386-W742 HydrophobicContact CB-CZ2 4.48Å; D386-W742 HydrophobicContact CB-CZ3 3.84Å; I387-W742 HydrophobicContact CB-CZ2 4.42Å; I387-W742 HydrophobicContact CD1-CZ2 4.05Å; A390-W742 HydrophobicContact CB-CD2 4.2Å; A390-W742 VanDerWaalsContact CB-CE2 3.44Å; A390-W742 HydrophobicContact CB-CG 4.39Å; A390-W742 HydrophobicContact CB-CZ2 3.79Å; Q412-W742 WeakPolarHBondContact O-CB 3.28Å; Q412-W742 PolarHBondContact O-N 3.02Å; Q412-W742 VanDerWaalsContact O-N 3.1Å; K414-W742 HydrophobicContact CB-CB 4.39Å; K414-W742 HydrophobicContact CB-CE3 4.49Å; K414-W742 HydrophobicContact CD-CE3 4.35Å; F429-W742 HydrophobicContact CD1-CB 4.31Å; F429-W742 HydrophobicContact CD1-CD2 4.08Å; F429-W742 AromaticContact CD1-CG 3.96Å; F429-W742 HydrophobicContact CD1-CG 3.96Å; F429-W742 HydrophobicContact CE1-CB 4.46Å; F429-W742 AromaticContact CE1-CD2 3.56Å; F429-W742 HydrophobicContact CE1-CD2 3.56Å; F429-W742 AromaticContact CE1-CE3 3.62Å; F429-W742 HydrophobicContact CE1-CE3 3.62Å; F429-W742 AromaticContact CE1-CG 3.94Å; F429-W742 HydrophobicContact CE1-CG 3.94Å; F429-W742 HydrophobicContact CE1-CZ2 4.47Å; F429-W742 HydrophobicContact CE1-CZ3 4.1Å; F429-W742 HydrophobicContact CZ-CE3 4.44Å; D740-W742 PolarHBondContact O-N 2.95Å; D740-W742 VanDerWaalsContact O-N 3.16Å; W742-V782 VanDerWaalsContact O-CG1 3.28Å; W742-V782 WeakPolarHBondContact O-CG1 3.22Å; W742-L783 HydrophobicContact CE3-CB 3.74Å; W742-L783 HydrophobicContact CE3-CD1 3.93Å; W742-L783 HydrophobicContact CE3-CG 4.46Å; W742-L783 HydrophobicContact CZ3-CB 3.95Å; W742-L783 HydrophobicContact CZ3-CD1 4.16Å; W742-E784 HydrophobicContact CD2-CB 3.88Å; W742-E784 VanDerWaalsContact CE2-CB 3.42Å; W742-E784 HydrophobicContact CE3-CB 4.4Å; W742-E784 HydrophobicContact CG-CB 4.37Å; W742-E784 HydrophobicContact CH2-CB 4.16Å; W742-E784 HydrophobicContact CZ2-CB 3.59Å; W742-E784 HydrophobicContact CZ2-CG 3.95Å; W742-E784 PolarHBondContact O-N 3.32Å
743K93.9Very high95Very high74 Ų7430 Ų3032%0.32215%0.145SC..EExtended strand (participates in β ladder)trans-143.1134.8-179.6177.4-174.3174.6-169.40109.9G411 Q412G411-K743 CarbonylContact C-O 3.35Å; G411-K743 VanDerWaalsContact CA-O 3.27Å; G411-K743 WeakPolarHBondContact CA-O 3.47Å; Q412-K743 HydrophobicContact CB-CB 4.02Å; Q412-K743 PolarHBondContact N-O 3.13Å; Q412-K743 PolarHBondContact O-N 3.04Å
744L95.9Very high94.9Very high4 Ų427.9 Ų27.92%0.02114%0.136CC..  trans-105.2150.1178-61.5-178.5000112.9F432 L741 L778 V782 F791 Y793F432-L744 HydrophobicContact CZ-CD2 3.88Å; L741-L744 HydrophobicContact CB-CD2 4.28Å; L741-L744 HydrophobicContact CD1-CD2 4.28Å; L741-L744 HydrophobicContact CD2-CD2 4.16Å; L741-L744 HydrophobicContact CG-CD2 4.47Å; L744-L778 HydrophobicContact CD1-CB 3.76Å; L744-L778 HydrophobicContact CD1-CD1 3.66Å; L744-L778 HydrophobicContact CD1-CG 4.37Å; L744-V782 HydrophobicContact CD1-CG2 3.44Å; L744-V782 VanDerWaalsContact CD1-CG2 3.44Å; L744-V782 HydrophobicContact CG-CG2 3.67Å; L744-F791 HydrophobicContact CB-CD1 3.79Å; L744-F791 HydrophobicContact CB-CE1 3.91Å; L744-F791 HydrophobicContact CD1-CB 4.34Å; L744-F791 HydrophobicContact CD1-CD1 4.11Å; L744-F791 HydrophobicContact CD1-CG 4.4Å; L744-F791 HydrophobicContact CG-CD1 4.32Å; L744-Y793 VanDerWaalsContact CB-OH 3.24Å; L744-Y793 WeakPolarHBondContact CB-OH 3.36Å; L744-Y793 HydrophobicContact CD1-CE2 4.21Å
745P96.4Very high94.3Very high5 Ų526.7 Ų26.73%0.03213%0.125CC..  trans-77.3168.8177.933.2-38.1000113.5L408 F409 F432 V747 L748 Y793L408-P745 WeakPolarHBondContact O-CB 3.4Å; F409-P745 VanDerWaalsContact O-CB 3.27Å; F409-P745 WeakPolarHBondContact O-CB 3.48Å; F409-P745 WeakPolarHBondContact O-CG 3.33Å; F432-P745 HydrophobicContact CE2-CG 4.32Å; P745-V747 VanDerWaalsContact C-N 3.33Å; P745-V747 VanDerWaalsContact CG-O 3.25Å; P745-V747 WeakPolarHBondContact CG-O 3.44Å; P745-L748 HydrophobicContact CG-CB 4.26Å; P745-L748 HydrophobicContact CG-CD1 3.95Å; P745-Y793 WeakPolarHBondContact O-CE1 3.45Å; P745-Y793 PolarHBondContact O-OH 3.03Å
746D96.7Very high93.2Very high66 Ų6630.2 Ų30.235%0.35314%0.139SC..SBendtrans-72.9-26.9171.5-87.93.8000112.2L408 R850L408-D746 PolarHBondContact O-N 3.26Å; L408-D746 VanDerWaalsContact O-N 3.16Å; D746-R850 WeakPolarHBondContact O-CB 3.2Å; D746-R850 PolarHBondContact O-N 2.77Å
747V98Very high91.2Very high3 Ų332.1 Ų32.12%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-122.6110.8173-171.20000108.5V281 L408 F409 P745 V847 Y848 V849V281-V747 HydrophobicContact CG1-CG1 4.07Å; V281-V747 HydrophobicContact CG1-CG2 3.8Å; V281-V747 HydrophobicContact CG2-CG1 4.18Å; L408-V747 HydrophobicContact CB-CG2 4.07Å; L408-V747 HydrophobicContact CD2-CG2 4.42Å; L408-V747 PolarHBondContact O-N 2.73Å; F409-V747 HydrophobicContact CD1-CB 3.91Å; F409-V747 HydrophobicContact CD1-CG1 3.85Å; F409-V747 HydrophobicContact CE1-CB 3.9Å; F409-V747 HydrophobicContact CE1-CG1 3.44Å; F409-V747 VanDerWaalsContact CE1-CG1 3.44Å; F409-V747 HydrophobicContact CG-CB 4.4Å; F409-V747 HydrophobicContact CZ-CB 4.37Å; F409-V747 HydrophobicContact CZ-CG1 4.06Å; P745-V747 VanDerWaalsContact C-N 3.33Å; P745-V747 VanDerWaalsContact CG-O 3.25Å; P745-V747 WeakPolarHBondContact CG-O 3.44Å; V747-V847 HydrophobicContact CG1-CG1 3.91Å; V747-Y848 CarbonylContact C-O 3.45Å; V747-Y848 WeakPolarHBondContact CA-O 3.24Å; V747-V849 HydrophobicContact CG1-CG2 4.38Å; V747-V849 HydrophobicContact CG2-CG2 4.37Å
748L97.9Very high89.2Confident0 Ų033.9 Ų33.90%016%0.163CC..EExtended strand (participates in β ladder)trans-99.8112.7-178.1-177.167.1000110F432 L435 F709 P745 V750 L778 Y793 Y848F432-L748 HydrophobicContact CE2-CD1 3.99Å; F432-L748 HydrophobicContact CZ-CD1 4.45Å; L435-L748 HydrophobicContact CD1-CD1 3.92Å; L435-L748 HydrophobicContact CG-CD1 4.21Å; F709-L748 HydrophobicContact CZ-CD2 4.21Å; P745-L748 HydrophobicContact CG-CB 4.26Å; P745-L748 HydrophobicContact CG-CD1 3.95Å; L748-V750 HydrophobicContact CD2-CG2 4.08Å; L748-V750 HydrophobicContact CG-CG2 3.86Å; L748-L778 HydrophobicContact CD2-CD1 3.55Å; L748-Y793 HydrophobicContact CB-CD1 4.11Å; L748-Y793 HydrophobicContact CB-CE1 3.81Å; L748-Y848 PolarHBondContact N-O 3.34Å; L748-Y848 PolarHBondContact O-N 2.95Å
749V98.2Very high86.5Confident1 Ų138.2 Ų38.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-94.5126.9172.5179.70000109.2M278 L356 F409 S434 L435 V845 V847M278-V749 HydrophobicContact CE-CG2 4.38Å; L356-V749 HydrophobicContact CD1-CG1 4.23Å; L356-V749 HydrophobicContact CD2-CG1 3.92Å; L356-V749 HydrophobicContact CD2-CG2 4.43Å; F409-V749 HydrophobicContact CD1-CG2 3.84Å; F409-V749 HydrophobicContact CE1-CG2 3.93Å; S434-V749 CarbonylContact C-O 3.54Å; S434-V749 VanDerWaalsContact CA-O 3.31Å; S434-V749 WeakPolarHBondContact CA-O 3.27Å; S434-V749 WeakPolarHBondContact CB-O 3.35Å; L435-V749 PolarHBondContact N-O 3.11Å; V749-V845 HydrophobicContact CG1-CG1 3.7Å; V749-V847 HydrophobicContact CG2-CG1 4.43Å; V749-V847 HydrophobicContact CG2-CG2 4.47Å
750V97.9Very high83.6Confident0 Ų045.6 Ų45.60%021%0.214CC..EExtended strand (participates in β ladder)trans-125.7111.5-175.7-178.90000109.7L435 L437 L705 F709 L748 L752 V845 L846L435-V750 CarbonylContact O-C 3.56Å; L435-V750 WeakPolarHBondContact O-CA 3.2Å; L437-V750 HydrophobicContact CD1-CG1 3.41Å; L437-V750 VanDerWaalsContact CD1-CG1 3.41Å; L437-V750 HydrophobicContact CG-CG1 3.74Å; L705-V750 HydrophobicContact CD1-CG1 4.37Å; F709-V750 HydrophobicContact CZ-CG2 4.3Å; L748-V750 HydrophobicContact CD2-CG2 4.08Å; L748-V750 HydrophobicContact CG-CG2 3.86Å; V750-L752 HydrophobicContact CG1-CD2 4.35Å; V750-V845 CarbonylContact O-C 3.57Å; V750-V845 WeakPolarHBondContact O-CA 3.44Å; V750-L846 HydrophobicContact CB-CB 4.29Å; V750-L846 PolarHBondContact N-O 2.93Å; V750-L846 PolarHBondContact O-N 3.27Å
751Q96.5Very high80.8Confident14 Ų1449.3 Ų49.37%0.06523%0.23CC..EExtended strand (participates in β ladder)trans-84.7130167.9-170.8-165.53100109.1D351 H353 L435 I436 L437 Y844 V845D351-Q751 PolarHBondContact OD2-NE2 2.87Å; H353-Q751 HydrophobicContact CB-CB 4.48Å; H353-Q751 HydrophobicContact CB-CG 3.92Å; H353-Q751 VanDerWaalsContact CG-CD 3.41Å; H353-Q751 VanDerWaalsContact ND1-CD 3.27Å; H353-Q751 PolarHBondContact ND1-NE2 3.42Å; H353-Q751 PolarHBondContact ND1-OE1 2.88Å; L435-Q751 PolarHBondContact O-N 3.13Å; I436-Q751 HydrophobicContact CG1-CB 4.43Å; I436-Q751 VanDerWaalsContact CG1-OE1 3.26Å; I436-Q751 VanDerWaalsContact CG2-OE1 3.22Å; L437-Q751 PolarHBondContact N-O 3.12Å; Q751-Y844 HydrophobicContact CG-CE2 4.33Å; Q751-Y844 PolarHBondContact NE2-OH 2.89Å; Q751-V845 HydrophobicContact CG-CG2 4.43Å
752L94.9Very high78.8Confident0 Ų054.5 Ų54.50%025%0.254CS..EExtended strand (participates in β ladder)trans-88.1115168.9-58.3179.5000107.6I439 L705 V750 R754 L769 Y844 L846I439-L752 HydrophobicContact CD1-CB 3.8Å; I439-L752 HydrophobicContact CG1-CB 4.42Å; L705-L752 HydrophobicContact CD1-CD2 3.92Å; V750-L752 HydrophobicContact CG1-CD2 4.35Å; L752-R754 HydrophobicContact CB-CG 4.45Å; L752-R754 PolarHBondContact O-N 2.82Å; L752-L769 HydrophobicContact CD1-CD1 4.19Å; L752-L769 HydrophobicContact CD1-CD2 4.12Å; L752-L769 HydrophobicContact CD2-CD1 3.95Å; L752-L769 HydrophobicContact CD2-CD2 4.29Å; L752-Y844 PolarHBondContact N-O 3.18Å; L752-Y844 WeakPolarHBondContact O-CD2 3.48Å; L752-Y844 WeakPolarHBondContact O-CE2 3.26Å; L752-L846 HydrophobicContact CD1-CD1 4.33Å; L752-L846 HydrophobicContact CD1-CG 4.4Å; L752-L846 HydrophobicContact CD2-CD1 4.42Å
753K90.6Very high77.2Confident117 Ų11757 Ų5751%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-73.569.2-174.5-166178.3-178175.40112I436 L437I436-K753 HydrophobicContact CG2-CB 4.06Å; I436-K753 HydrophobicContact CG2-CD 4.11Å; I436-K753 HydrophobicContact CG2-CG 4.24Å; L437-K753 VanDerWaalsContact O-CB 3.22Å; L437-K753 WeakPolarHBondContact O-CB 3.45Å; L437-K753 PolarHBondContact O-N 3.46Å
754R86.9Confident76.1Confident0 Ų054.4 Ų54.40%026%0.257CS..  trans-74.3-36.9-178.3-70-169.8-179.4-78.80.8113.4I439 L752 K764 I765 T767 S841 A843 Y844I439-R754 HydrophobicContact CD1-CB 4.43Å; I439-R754 HydrophobicContact CD1-CG 3.49Å; I439-R754 VanDerWaalsContact CD1-CG 3.49Å; L752-R754 HydrophobicContact CB-CG 4.45Å; L752-R754 PolarHBondContact O-N 2.82Å; R754-K764 HydrophobicContact CB-CG 4.02Å; R754-K764 WeakPolarHBondContact O-CA 3.2Å; R754-I765 HydrophobicContact CB-CB 4.48Å; R754-I765 WeakPolarHBondContact CD-O 3.45Å; R754-I765 WeakPolarHBondContact CG-O 3.35Å; R754-I765 PolarHBondContact NH1-O 2.82Å; R754-I765 WeakPolarHBondContact O-CG1 3.28Å; R754-I765 PolarHBondContact O-N 3.43Å; R754-T767 PolarHBondContact NH1-O 2.9Å; R754-S841 PolarHBondContact NE-O 3.07Å; R754-S841 PolarHBondContact NH2-O 2.93Å; R754-A843 PolarHBondContact NE-O 2.82Å; R754-A843 PolarHBondContact NH2-O 2.88Å; R754-A843 VanDerWaalsContact NH2-O 3.12Å; R754-Y844 HydrophobicContact CB-CD2 4.33Å; R754-Y844 HydrophobicContact CB-CE2 4.46Å; R754-Y844 HydrophobicContact CG-CD2 4.36Å
755F78.4Confident75.1Confident30 Ų3054.3 Ų54.313%0.13226%0.257CS..EExtended strand (participates in β ladder)trans-78.9129.9-177.2-58-64.9000111.8D763 K764 H801 L805 Y844F755-D763 WeakPolarHBondContact CA-O 3.36Å; F755-K764 HydrophobicContact CD1-CB 4.04Å; F755-K764 HydrophobicContact CD1-CD 4.46Å; F755-K764 HydrophobicContact CD1-CG 4.04Å; F755-K764 HydrophobicContact CE1-CB 4.23Å; F755-K764 HydrophobicContact CE1-CD 3.9Å; F755-K764 HydrophobicContact CE1-CG 3.98Å; F755-H801 AromaticContact CE1-CE1 3.99Å; F755-H801 AromaticContact CE1-ND1 3.87Å; F755-H801 AromaticContact CZ-CE1 3.68Å; F755-H801 AromaticContact CZ-ND1 3.45Å; F755-H801 WeakPolarHBondContact CZ-ND1 3.39Å; F755-L805 HydrophobicContact CD1-CB 4.09Å; F755-L805 HydrophobicContact CD1-CD1 4.44Å; F755-L805 HydrophobicContact CD2-CD1 3.79Å; F755-L805 HydrophobicContact CE1-CB 4.06Å; F755-L805 HydrophobicContact CE1-CD1 4.33Å; F755-L805 HydrophobicContact CE2-CD1 3.67Å; F755-L805 HydrophobicContact CG-CD1 4.17Å; F755-L805 HydrophobicContact CZ-CB 4.44Å; F755-L805 HydrophobicContact CZ-CD1 3.95Å; F755-Y844 AromaticContact CD2-CE2 3.83Å; F755-Y844 HydrophobicContact CD2-CE2 3.83Å; F755-Y844 AromaticContact CD2-CZ 3.88Å; F755-Y844 HydrophobicContact CE2-CD2 4.39Å; F755-Y844 HydrophobicContact CE2-CE1 4.22Å; F755-Y844 AromaticContact CE2-CE2 3.62Å; F755-Y844 HydrophobicContact CE2-CE2 3.62Å; F755-Y844 AromaticContact CE2-CZ 3.52Å; F755-Y844 WeakPolarHBondContact CE2-OH 3.25Å
756R68.9Low74.1Confident75 Ų7558.4 Ų58.428%0.28328%0.279SS..EExtended strand (participates in β ladder)trans-116.8123.8172.3-64.9179.9178.8144.44.4108.6I439 E441 H762 D763 I765I439-R756 PolarHBondContact O-NH2 3.24Å; E441-R756 IonicContact OE2-CZ 2.73Å; E441-R756 IonicContact OE2-NH1 2.66Å; E441-R756 PolarHBondContact OE2-NH1 3.4Å; E441-R756 IonicContact OE2-NH2 3.18Å; E441-R756 PolarHBondContact OE2-NH2 3.03Å; R756-H762 WeakPolarHBondContact O-CA 3.27Å; R756-D763 PolarHBondContact N-O 3.16Å; R756-D763 PolarHBondContact O-N 3.23Å; R756-I765 HydrophobicContact CG-CD1 4.5Å; R756-I765 VanDerWaalsContact CZ-CD1 3.46Å; R756-I765 VanDerWaalsContact CZ-CG1 3.47Å
757S53.6Low73.2Confident87 Ų8756.9 Ų56.961%0.60827%0.272SS*.EExtended strand (participates in β ladder)trans-99.9107.4173.4-57.30000109.1H762S757-H762 PolarHBondContact OG-CE1 3.16Å; S757-H762 VanDerWaalsContact OG-CE1 3.29Å; S757-H762 PolarHBondContact OG-ND1 2.6Å
758H49.5Very low72.7Confident91 Ų9160.3 Ų60.342%0.42129%0.289SS..EExtended strand (participates in β ladder)trans-92.7164.7168.8-64-87000109.5R760 F761H758-R760 PolarHBondContact O-N 3.08Å; H758-F761 WeakPolarHBondContact CA-O 3.46Å; H758-F761 HydrophobicContact CB-CD1 4.18Å; H758-F761 HydrophobicContact CB-CD2 3.85Å; H758-F761 HydrophobicContact CB-CE1 3.99Å; H758-F761 HydrophobicContact CB-CE2 3.65Å; H758-F761 HydrophobicContact CB-CG 4.11Å; H758-F761 HydrophobicContact CB-CZ 3.72Å; H758-F761 WeakPolarHBondContact CB-O 3.27Å; H758-F761 AromaticContact CD2-CD2 3.76Å; H758-F761 AromaticContact CD2-CE2 3.27Å; H758-F761 WeakPolarHBondContact CD2-CE2 3.43Å; H758-F761 AromaticContact CD2-CZ 3.99Å; H758-F761 AromaticContact CG-CE2 3.46Å; H758-F761 VanDerWaalsContact CG-CE2 3.46Å; H758-F761 AromaticContact CG-CZ 3.71Å; H758-F761 PolarHBondContact N-O 3.35Å
759L39Very low72.3Confident156 Ų15660.3 Ų60.382%0.81729%0.289SS*.THydrogen-bonded Turntrans-64-8.6-175.5-75.1167.5000115.1
760R34Very low72.1Confident196 Ų19663.8 Ų63.874%0.7431%0.306SS*.THydrogen-bonded Turntrans-142.36.8-176.9-54.9-172.3-169.7-178.32.2114.5H758H758-R760 PolarHBondContact O-N 3.08Å
761F37Very low72Confident100 Ų10064.2 Ų64.244%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-167.2146.6-179.650.6-88.2000111H758 D763H758-F761 WeakPolarHBondContact CA-O 3.46Å; H758-F761 HydrophobicContact CB-CD1 4.18Å; H758-F761 HydrophobicContact CB-CD2 3.85Å; H758-F761 HydrophobicContact CB-CE1 3.99Å; H758-F761 HydrophobicContact CB-CE2 3.65Å; H758-F761 HydrophobicContact CB-CG 4.11Å; H758-F761 HydrophobicContact CB-CZ 3.72Å; H758-F761 WeakPolarHBondContact CB-O 3.27Å; H758-F761 AromaticContact CD2-CD2 3.76Å; H758-F761 AromaticContact CD2-CE2 3.27Å; H758-F761 WeakPolarHBondContact CD2-CE2 3.43Å; H758-F761 AromaticContact CD2-CZ 3.99Å; H758-F761 AromaticContact CG-CE2 3.46Å; H758-F761 VanDerWaalsContact CG-CE2 3.46Å; H758-F761 AromaticContact CG-CZ 3.71Å; H758-F761 PolarHBondContact N-O 3.35Å; F761-D763 HydrophobicContact CD2-CB 4.38Å
762H53.6Low71.9Confident108 Ų10865.9 Ų65.950%0.532%0.32SS..EExtended strand (participates in β ladder)trans-102.3124.1167.2-67.4-82.2000109.2R756 S757R756-H762 WeakPolarHBondContact O-CA 3.27Å; S757-H762 PolarHBondContact OG-CE1 3.16Å; S757-H762 VanDerWaalsContact OG-CE1 3.29Å; S757-H762 PolarHBondContact OG-ND1 2.6Å
763D63.7Low72Confident71 Ų7167.5 Ų67.538%0.3833%0.328SS..EExtended strand (participates in β ladder)trans-116.2157.4-179.6-178.630.1000110.6F755 R756 F761F755-D763 WeakPolarHBondContact CA-O 3.36Å; R756-D763 PolarHBondContact N-O 3.16Å; R756-D763 PolarHBondContact O-N 3.23Å; F761-D763 HydrophobicContact CD2-CB 4.38Å
764K70.2Confident72.3Confident18 Ų1865.4 Ų65.48%0.07833%0.325CS..EExtended strand (participates in β ladder)trans-130.6125177-177.5-170.7167.1-143.90110.4R754 F755 D766 H801 G803R754-K764 HydrophobicContact CB-CG 4.02Å; R754-K764 WeakPolarHBondContact O-CA 3.2Å; F755-K764 HydrophobicContact CD1-CB 4.04Å; F755-K764 HydrophobicContact CD1-CD 4.46Å; F755-K764 HydrophobicContact CD1-CG 4.04Å; F755-K764 HydrophobicContact CE1-CB 4.23Å; F755-K764 HydrophobicContact CE1-CD 3.9Å; F755-K764 HydrophobicContact CE1-CG 3.98Å; K764-D766 WeakPolarHBondContact CD-OD1 3.47Å; K764-D766 WeakPolarHBondContact CE-OD1 3.25Å; K764-D766 IonicContact NZ-OD1 2.73Å; K764-D766 PolarHBondContact NZ-OD1 3.15Å; K764-D766 PolarHBondContact O-N 3.12Å; K764-H801 PolarHBondContact NZ-O 3.35Å; K764-G803 WeakPolarHBondContact CD-O 3.29Å; K764-G803 PolarHBondContact NZ-O 2.73Å
765I75.8Confident72.6Confident3 Ų366.8 Ų66.82%0.01534%0.34CS..  trans-68.4100.9171.5-54163.1000109I439 E441 R754 R756I439-I765 HydrophobicContact CB-CD1 3.75Å; I439-I765 HydrophobicContact CG2-CD1 4.15Å; I439-I765 HydrophobicContact CG2-CG2 3.94Å; I439-I765 WeakPolarHBondContact O-CD1 3.5Å; E441-I765 HydrophobicContact CG-CG2 3.88Å; R754-I765 HydrophobicContact CB-CB 4.48Å; R754-I765 WeakPolarHBondContact CD-O 3.45Å; R754-I765 WeakPolarHBondContact CG-O 3.35Å; R754-I765 PolarHBondContact NH1-O 2.82Å; R754-I765 WeakPolarHBondContact O-CG1 3.28Å; R754-I765 PolarHBondContact O-N 3.43Å; R756-I765 HydrophobicContact CG-CD1 4.5Å; R756-I765 VanDerWaalsContact CZ-CD1 3.46Å; R756-I765 VanDerWaalsContact CZ-CG1 3.47Å
766D75.8Confident73.5Confident91 Ų9166 Ų6649%0.48734%0.337SS..  trans-92.37.3175-80.7-34.5000113.8K764 L768 S841K764-D766 WeakPolarHBondContact CD-OD1 3.47Å; K764-D766 WeakPolarHBondContact CE-OD1 3.25Å; K764-D766 IonicContact NZ-OD1 2.73Å; K764-D766 PolarHBondContact NZ-OD1 3.15Å; K764-D766 PolarHBondContact O-N 3.12Å; D766-L768 PolarHBondContact O-N 3.31Å; D766-S841 WeakPolarHBondContact O-CB 3.43Å
767T77.3Confident74.7Confident34 Ų3466.8 Ų66.821%0.20935%0.346CS..  trans-59132.3171.7-63.60000110.9E441 L703 R754 L769E441-T767 PolarHBondContact OE1-OG1 2.92Å; L703-T767 HydrophobicContact CD1-CG2 3.62Å; L703-T767 HydrophobicContact CG-CG2 4.04Å; R754-T767 PolarHBondContact NH1-O 2.9Å; T767-L769 PolarHBondContact O-N 2.98Å
768L86.4Confident76.7Confident74 Ų7462.7 Ų62.739%0.38732%0.318SS..  trans-59.9130.4174.6-179.165.3000109.8D766 V839 T840D766-L768 PolarHBondContact O-N 3.31Å; L768-V839 HydrophobicContact CD1-CG1 4.36Å; L768-T840 VanDerWaalsContact CD1-C 3.4Å
769L90.2Very high78.8Confident0 Ų059.6 Ų59.60%031%0.305CS..EExtended strand (participates in β ladder)trans-117.2119.4175.7-175.6156.1000107.6I439 L703 L705 C708 L752 T767 F771I439-L769 HydrophobicContact CD1-CD1 4.21Å; I439-L769 HydrophobicContact CG1-CD1 4.1Å; L703-L769 CarbonylContact O-C 3.58Å; L703-L769 VanDerWaalsContact O-CA 3.31Å; L703-L769 WeakPolarHBondContact O-CA 3.33Å; L705-L769 HydrophobicContact CB-CD2 4.01Å; L705-L769 HydrophobicContact CD1-CD2 4.23Å; C708-L769 VanDerWaalsContact SG-CD1 3.53Å; L752-L769 HydrophobicContact CD1-CD1 4.19Å; L752-L769 HydrophobicContact CD1-CD2 4.12Å; L752-L769 HydrophobicContact CD2-CD1 3.95Å; L752-L769 HydrophobicContact CD2-CD2 4.29Å; T767-L769 PolarHBondContact O-N 2.98Å; L769-F771 HydrophobicContact CD2-CB 4.31Å; L769-F771 HydrophobicContact CD2-CD1 4.03Å; L769-F771 WeakPolarHBondContact O-CD1 3.24Å
770E93Very high81.3Confident75 Ų7557 Ų5735%0.3530%0.3SS..EExtended strand (participates in β ladder)trans-76.8122.8177.5-67.9178.9-172.700110.2T702 L703 K704 L705T702-E770 WeakPolarHBondContact CB-OE1 3.48Å; T702-E770 WeakPolarHBondContact CG2-OE1 3.42Å; T702-E770 PolarHBondContact OG1-OE1 2.84Å; T702-E770 VanDerWaalsContact OG1-OE1 3.13Å; L703-E770 PolarHBondContact O-N 2.93Å; K704-E770 VanDerWaalsContact CE-OE2 3.24Å; K704-E770 WeakPolarHBondContact CE-OE2 3.4Å; K704-E770 HydrophobicContact CG-CB 4.19Å; L705-E770 PolarHBondContact N-O 2.89Å
771F95.9Very high84Confident8 Ų850.2 Ų50.24%0.03528%0.275CS..  trans-131.6137.4174.452.3-90.9000110.4L705 L769 L795 V798 I838 V839 A843 L846L705-F771 HydrophobicContact CB-CB 4.01Å; L705-F771 HydrophobicContact CD2-CB 3.84Å; L705-F771 HydrophobicContact CG-CB 4.44Å; L769-F771 HydrophobicContact CD2-CB 4.31Å; L769-F771 HydrophobicContact CD2-CD1 4.03Å; L769-F771 WeakPolarHBondContact O-CD1 3.24Å; F771-L795 HydrophobicContact CD2-CD2 3.95Å; F771-L795 HydrophobicContact CE2-CD2 3.75Å; F771-V798 HydrophobicContact CE2-CG2 4.06Å; F771-V798 HydrophobicContact CZ-CG2 4.4Å; F771-I838 HydrophobicContact CE2-CG2 4.23Å; F771-V839 HydrophobicContact CD1-CG1 4.27Å; F771-V839 HydrophobicContact CD2-CG2 4.34Å; F771-V839 HydrophobicContact CE1-CB 4.47Å; F771-V839 HydrophobicContact CE1-CG1 4.02Å; F771-V839 HydrophobicContact CE2-CG2 4.05Å; F771-V839 HydrophobicContact CZ-CB 4.29Å; F771-V839 HydrophobicContact CZ-CG1 4.33Å; F771-V839 HydrophobicContact CZ-CG2 4.2Å; F771-A843 HydrophobicContact CE1-CB 3.4Å; F771-A843 VanDerWaalsContact CE1-CB 3.4Å; F771-A843 HydrophobicContact CZ-CB 3.52Å; F771-L846 HydrophobicContact CB-CD1 3.82Å; F771-L846 HydrophobicContact CD1-CD1 4.12Å; F771-L846 HydrophobicContact CD1-CD2 4.17Å; F771-L846 HydrophobicContact CD2-CD1 4.13Å; F771-L846 HydrophobicContact CD2-CD2 3.94Å; F771-L846 HydrophobicContact CE1-CD2 4.06Å; F771-L846 HydrophobicContact CE2-CD2 3.8Å; F771-L846 HydrophobicContact CG-CD1 3.76Å; F771-L846 HydrophobicContact CG-CD2 4.12Å; F771-L846 HydrophobicContact CZ-CD2 3.86Å
772P96.1Very high86.7Confident50 Ų5045.5 Ų45.533%0.32525%0.254SS..  trans-75.2131.8-177.130.1-35.1000111.1T774 L776 Y848P772-T774 VanDerWaalsContact C-N 3.31Å; P772-L776 HydrophobicContact CG-CB 3.86Å; P772-L776 HydrophobicContact CG-CD1 3.83Å; P772-L776 HydrophobicContact CG-CG 4.4Å; P772-Y848 WeakPolarHBondContact O-CE1 3.42Å; P772-Y848 PolarHBondContact O-OH 3.42Å
773L96.3Very high88.5Confident34 Ų3444.3 Ų44.318%0.17825%0.251CS..SBendtrans-68.5-32.7172-86.356.6000111.8L795 P835 I838 V839L773-L795 HydrophobicContact CD1-CD2 4.17Å; L773-L795 HydrophobicContact CG-CD2 4.15Å; L773-L795 VanDerWaalsContact O-CB 3.31Å; L773-L795 WeakPolarHBondContact O-CB 3.38Å; L773-L795 PolarHBondContact O-N 3.18Å; L773-P835 HydrophobicContact CD2-CB 3.8Å; L773-P835 WeakPolarHBondContact CD2-O 3.31Å; L773-I838 HydrophobicContact CD1-CB 4.41Å; L773-I838 HydrophobicContact CD1-CG2 4.33Å; L773-I838 HydrophobicContact CD2-CB 4.48Å; L773-I838 HydrophobicContact CD2-CD1 3.93Å; L773-I838 HydrophobicContact CG-CD1 4.49Å; L773-V839 HydrophobicContact CD1-CG2 3.5Å
774T95.8Very high89.6Confident72 Ų7244.8 Ų44.844%0.44225%0.251SS..SBendtrans-135.1147-179.762.90000111.1P772 D794P772-T774 VanDerWaalsContact C-N 3.31Å; T774-D794 WeakPolarHBondContact CA-OD1 3.28Å; T774-D794 WeakPolarHBondContact CB-OD1 3.4Å
775G94.6Very high90.5Very high30 Ų3047.7 Ų47.731%0.30926%0.263SS..  trans7525.5170.500000116.3N777 Y793 D794G775-N777 PolarHBondContact O-N 3.34Å; G775-Y793 CarbonylContact C-O 3.48Å; G775-Y793 PolarHBondContact N-O 3.34Å; G775-D794 PolarHBondContact N-OD1 2.92Å
776L96.1Very high91Very high14 Ų1454.8 Ų54.87%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-57.8106.5171.717761.5000109.6L705 F709 P772 L778 I792 Y793 Y848L705-L776 HydrophobicContact CD2-CD1 4.2Å; L705-L776 HydrophobicContact CD2-CD2 4Å; F709-L776 HydrophobicContact CE2-CD2 4.32Å; P772-L776 HydrophobicContact CG-CB 3.86Å; P772-L776 HydrophobicContact CG-CD1 3.83Å; P772-L776 HydrophobicContact CG-CG 4.4Å; L776-L778 HydrophobicContact CD1-CD2 4.21Å; L776-L778 HydrophobicContact CD2-CD1 4.39Å; L776-L778 HydrophobicContact CG-CD2 4.29Å; L776-L778 HydrophobicContact CG-CG 4.2Å; L776-I792 CarbonylContact O-C 3.44Å; L776-I792 WeakPolarHBondContact O-CA 3.23Å; L776-Y793 PolarHBondContact N-O 2.78Å; L776-Y793 PolarHBondContact O-N 3.13Å; L776-Y848 HydrophobicContact CB-CD1 4.25Å; L776-Y848 HydrophobicContact CB-CE1 3.87Å; L776-Y848 HydrophobicContact CD2-CD1 3.96Å; L776-Y848 HydrophobicContact CD2-CD2 3.95Å; L776-Y848 HydrophobicContact CD2-CE1 3.8Å; L776-Y848 HydrophobicContact CD2-CE2 3.76Å; L776-Y848 HydrophobicContact CD2-CG 4.05Å; L776-Y848 HydrophobicContact CG-CE1 4.47Å
777N95.5Very high91.3Very high90 Ų9056.9 Ų56.948%0.48131%0.313SS..EExtended strand (participates in β ladder)trans-100.7106.6-174.9-173.54.7000111.2G775 T779 I792G775-N777 PolarHBondContact O-N 3.34Å; N777-T779 WeakPolarHBondContact OD1-CB 3.37Å; N777-T779 PolarHBondContact OD1-N 2.99Å; N777-T779 PolarHBondContact OD1-OG1 2.89Å; N777-I792 HydrophobicContact CB-CG1 4.47Å
778L94.9Very high91.7Very high2 Ų262.2 Ų62.21%0.0134%0.34CS..  trans-100.23176.7-58.4176.3000112.5F709 L744 L748 L776 S780 R781 V782 F791 Y793F709-L778 HydrophobicContact CD1-CD2 4.35Å; F709-L778 HydrophobicContact CD2-CD2 3.85Å; F709-L778 HydrophobicContact CE1-CD1 4.18Å; F709-L778 HydrophobicContact CE1-CD2 4.24Å; F709-L778 HydrophobicContact CE2-CD1 4.37Å; F709-L778 HydrophobicContact CE2-CD2 3.75Å; F709-L778 HydrophobicContact CG-CD2 4.16Å; F709-L778 HydrophobicContact CZ-CD1 3.85Å; F709-L778 HydrophobicContact CZ-CD2 3.96Å; L744-L778 HydrophobicContact CD1-CB 3.76Å; L744-L778 HydrophobicContact CD1-CD1 3.66Å; L744-L778 HydrophobicContact CD1-CG 4.37Å; L748-L778 HydrophobicContact CD2-CD1 3.55Å; L776-L778 HydrophobicContact CD1-CD2 4.21Å; L776-L778 HydrophobicContact CD2-CD1 4.39Å; L776-L778 HydrophobicContact CG-CD2 4.29Å; L776-L778 HydrophobicContact CG-CG 4.2Å; L778-S780 PolarHBondContact O-N 3.46Å; L778-S780 VanDerWaalsContact O-N 3.12Å; L778-R781 WeakPolarHBondContact O-CA 3.42Å; L778-R781 WeakPolarHBondContact O-CB 3.26Å; L778-R781 PolarHBondContact O-N 3.25Å; L778-V782 PolarHBondContact O-N 3.2Å; L778-F791 HydrophobicContact CB-CB 4.34Å; L778-F791 PolarHBondContact N-O 3.4Å; L778-Y793 HydrophobicContact CD1-CD2 4.28Å; L778-Y793 HydrophobicContact CD1-CE2 4.18Å
779T93.5Very high91.8Very high25 Ų2561.3 Ų61.315%0.15333%0.334CS..THydrogen-bonded Turntrans-57.7-32.5-171.5-470000113.7N777 K785 E789 F791N777-T779 WeakPolarHBondContact OD1-CB 3.37Å; N777-T779 PolarHBondContact OD1-N 2.99Å; N777-T779 PolarHBondContact OD1-OG1 2.89Å; T779-K785 HydrophobicContact CG2-CD 4.16Å; T779-K785 PolarHBondContact O-NZ 3.18Å; T779-E789 WeakPolarHBondContact CG2-O 3.34Å; T779-F791 PolarHBondContact OG1-N 3.15Å
780S91.2Very high91.9Very high101 Ų10167.6 Ų67.671%0.70636%0.361SS*.THydrogen-bonded Turntrans-73.6-24.6175.749.90000113.6L778L778-S780 PolarHBondContact O-N 3.46Å; L778-S780 VanDerWaalsContact O-N 3.12Å
781R91.3Very high92Very high55 Ų5564.1 Ų64.121%0.20835%0.345CS..THydrogen-bonded Turntrans-90.1-19.3-175.9-57178.3178.6-75.7-7.1113.4S706 E710 L741 L778S706-R781 PolarHBondContact O-NH2 3.1Å; E710-R781 IonicContact OE1-CZ 2.85Å; E710-R781 IonicContact OE1-NH1 3.79Å; E710-R781 IonicContact OE1-NH2 3.82Å; E710-R781 PolarHBondContact OE1-NH2 3.22Å; L741-R781 HydrophobicContact CD1-CB 4.06Å; L778-R781 WeakPolarHBondContact O-CA 3.42Å; L778-R781 WeakPolarHBondContact O-CB 3.26Å; L778-R781 PolarHBondContact O-N 3.25Å
782V93.3Very high92Very high1 Ų165.8 Ų65.81%0.00635%0.353CS..BIsolated β-bridgetrans-81124.4176-173.70000110L741 W742 L744 L778 E784 K785 F791L741-V782 WeakPolarHBondContact O-CA 3.35Å; W742-V782 VanDerWaalsContact O-CG1 3.28Å; W742-V782 WeakPolarHBondContact O-CG1 3.22Å; L744-V782 HydrophobicContact CD1-CG2 3.44Å; L744-V782 VanDerWaalsContact CD1-CG2 3.44Å; L744-V782 HydrophobicContact CG-CG2 3.67Å; L778-V782 PolarHBondContact O-N 3.2Å; V782-E784 WeakPolarHBondContact CG1-O 3.32Å; V782-K785 PolarHBondContact O-NZ 3.48Å; V782-F791 HydrophobicContact CB-CD2 4.08Å; V782-F791 HydrophobicContact CB-CE2 4.11Å; V782-F791 HydrophobicContact CG1-CD2 4.34Å; V782-F791 HydrophobicContact CG1-CE2 3.88Å; V782-F791 HydrophobicContact CG1-CZ 4.08Å; V782-F791 HydrophobicContact CG2-CB 4.33Å; V782-F791 HydrophobicContact CG2-CD1 4.3Å; V782-F791 HydrophobicContact CG2-CD2 3.82Å; V782-F791 HydrophobicContact CG2-CE2 4.18Å; V782-F791 HydrophobicContact CG2-CG 3.88Å
783L92Very high92.1Very high82 Ų8263.4 Ų63.443%0.42934%0.338SS..SBendtrans-72-52.1179.5-64.6-174.1000112K414 D740 L741 W742K414-L783 HydrophobicContact CD-CD1 4.07Å; D740-L783 HydrophobicContact CB-CD1 3.49Å; D740-L783 VanDerWaalsContact CB-CD1 3.49Å; D740-L783 HydrophobicContact CB-CG 4.15Å; L741-L783 PolarHBondContact O-N 3.22Å; W742-L783 HydrophobicContact CE3-CB 3.74Å; W742-L783 HydrophobicContact CE3-CD1 3.93Å; W742-L783 HydrophobicContact CE3-CG 4.46Å; W742-L783 HydrophobicContact CZ3-CB 3.95Å; W742-L783 HydrophobicContact CZ3-CD1 4.16Å
784E87.5Confident92.2Very high82 Ų8263 Ų6338%0.38334%0.336SS..SBendtrans-99.3115.2-177.3-179.957.7-158.800111.1I387 W742 V782I387-E784 VanDerWaalsContact CD1-CD 3.45Å; I387-E784 HydrophobicContact CD1-CG 4.01Å; I387-E784 WeakPolarHBondContact CD1-OE1 3.47Å; W742-E784 HydrophobicContact CD2-CB 3.88Å; W742-E784 VanDerWaalsContact CE2-CB 3.42Å; W742-E784 HydrophobicContact CE3-CB 4.4Å; W742-E784 HydrophobicContact CG-CB 4.37Å; W742-E784 HydrophobicContact CH2-CB 4.16Å; W742-E784 HydrophobicContact CZ2-CB 3.59Å; W742-E784 HydrophobicContact CZ2-CG 3.95Å; W742-E784 PolarHBondContact O-N 3.32Å; V782-E784 WeakPolarHBondContact CG1-O 3.32Å
785K87.7Confident92.3Very high78 Ų7859.6 Ų59.634%0.33932%0.315SS..  trans-155.9146.1-178.663.7-169.8168.3-125.50110.6T779 V782 E789 F791T779-K785 HydrophobicContact CG2-CD 4.16Å; T779-K785 PolarHBondContact O-NZ 3.18Å; V782-K785 PolarHBondContact O-NZ 3.48Å; K785-E789 HydrophobicContact CB-CB 4.45Å; K785-F791 HydrophobicContact CB-CE2 3.86Å
786K86.1Confident92.5Very high152 Ų15258.8 Ų58.866%0.66130%0.304SS*.  trans-70.5155.2168.8-59.4171.5-175.21730109.8D788 E789K786-D788 VanDerWaalsContact C-N 3.26Å; K786-D788 PolarHBondContact O-N 3.04Å; K786-D788 VanDerWaalsContact O-N 3.14Å; K786-E789 HydrophobicContact CB-CB 3.97Å; K786-E789 PolarHBondContact N-OE2 3.08Å; K786-E789 VanDerWaalsContact O-CB 3.32Å; K786-E789 WeakPolarHBondContact O-CB 3.5Å; K786-E789 PolarHBondContact O-N 3.46Å
787P83.6Confident92.6Very high135 Ų13558.1 Ų58.188%0.87730%0.301SS*.THydrogen-bonded Turntrans-52.8-38.9-175.9-30.136.6000115.1
788D84.9Confident92.7Very high146 Ų14653.9 Ų53.978%0.78128%0.278SS*.THydrogen-bonded Turntrans-91.9-0.6179.6-56.2-60.7000113.9K786 K790K786-D788 VanDerWaalsContact C-N 3.26Å; K786-D788 PolarHBondContact O-N 3.04Å; K786-D788 VanDerWaalsContact O-N 3.14Å; D788-K790 PolarHBondContact O-N 2.87Å
789E88.9Confident92.8Very high55 Ų5553.8 Ų53.826%0.25728%0.278SS..  trans-82.1120.7-171.9-175.6168.5-169.500112.1T779 K785 K786 F791 R850T779-E789 WeakPolarHBondContact CG2-O 3.34Å; K785-E789 HydrophobicContact CB-CB 4.45Å; K786-E789 HydrophobicContact CB-CB 3.97Å; K786-E789 PolarHBondContact N-OE2 3.08Å; K786-E789 VanDerWaalsContact O-CB 3.32Å; K786-E789 WeakPolarHBondContact O-CB 3.5Å; K786-E789 PolarHBondContact O-N 3.46Å; E789-F791 HydrophobicContact CG-CE2 3.81Å; E789-F791 HydrophobicContact CG-CZ 4.03Å; E789-F791 WeakPolarHBondContact OE1-CZ 3.26Å; E789-R850 IonicContact OE1-CZ 3.68Å; E789-R850 IonicContact OE1-NH1 3.38Å; E789-R850 PolarHBondContact OE1-NH1 3.18Å; E789-R850 IonicContact OE1-NH2 3.23Å; E789-R850 PolarHBondContact OE1-NH2 3.35Å
790K92.1Very high92.8Very high132 Ų13252.8 Ų52.857%0.57427%0.271SS*.  trans-111.9141.7-178.9-61.6-178.3-176.2178.40111.2D788 I792 R850D788-K790 PolarHBondContact O-N 2.87Å; K790-I792 HydrophobicContact CB-CD1 4.21Å; K790-I792 HydrophobicContact CB-CG1 4.26Å; K790-I792 HydrophobicContact CD-CD1 4.26Å; K790-R850 PolarHBondContact O-NE 3.18Å; K790-R850 VanDerWaalsContact O-NE 3.16Å; K790-R850 PolarHBondContact O-NH2 3.13Å
791F94.7Very high92.7Very high3 Ų348 Ų481%0.01324%0.238CC..  trans-114.569.5178.5-69.1-84.8000108.3L744 L778 T779 V782 K785 E789 Y793 R850L744-F791 HydrophobicContact CB-CD1 3.79Å; L744-F791 HydrophobicContact CB-CE1 3.91Å; L744-F791 HydrophobicContact CD1-CB 4.34Å; L744-F791 HydrophobicContact CD1-CD1 4.11Å; L744-F791 HydrophobicContact CD1-CG 4.4Å; L744-F791 HydrophobicContact CG-CD1 4.32Å; L778-F791 HydrophobicContact CB-CB 4.34Å; L778-F791 PolarHBondContact N-O 3.4Å; T779-F791 PolarHBondContact OG1-N 3.15Å; V782-F791 HydrophobicContact CB-CD2 4.08Å; V782-F791 HydrophobicContact CB-CE2 4.11Å; V782-F791 HydrophobicContact CG1-CD2 4.34Å; V782-F791 HydrophobicContact CG1-CE2 3.88Å; V782-F791 HydrophobicContact CG1-CZ 4.08Å; V782-F791 HydrophobicContact CG2-CB 4.33Å; V782-F791 HydrophobicContact CG2-CD1 4.3Å; V782-F791 HydrophobicContact CG2-CD2 3.82Å; V782-F791 HydrophobicContact CG2-CE2 4.18Å; V782-F791 HydrophobicContact CG2-CG 3.88Å; K785-F791 HydrophobicContact CB-CE2 3.86Å; E789-F791 HydrophobicContact CG-CE2 3.81Å; E789-F791 HydrophobicContact CG-CZ 4.03Å; E789-F791 WeakPolarHBondContact OE1-CZ 3.26Å; F791-Y793 HydrophobicContact CB-CE2 4.06Å; F791-R850 VanDerWaalsContact CE1-NH2 3.3Å
792I96.8Very high92.1Very high42 Ų4249.3 Ų49.322%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-107.2126178.5-58171.5000107.7L776 N777 K790 R851L776-I792 CarbonylContact O-C 3.44Å; L776-I792 WeakPolarHBondContact O-CA 3.23Å; N777-I792 HydrophobicContact CB-CG1 4.47Å; K790-I792 HydrophobicContact CB-CD1 4.21Å; K790-I792 HydrophobicContact CB-CG1 4.26Å; K790-I792 HydrophobicContact CD-CD1 4.26Å; I792-R851 HydrophobicContact CG2-CG 4.34Å; I792-R851 PolarHBondContact O-N 2.97Å
793Y97.9Very high90.8Very high0 Ų051.1 Ų51.10%027%0.266CS..EExtended strand (participates in β ladder)trans-120.8150.2-176.6-63.8-103.3000112.2L744 P745 L748 G775 L776 L778 F791 V849 R850L744-Y793 VanDerWaalsContact CB-OH 3.24Å; L744-Y793 WeakPolarHBondContact CB-OH 3.36Å; L744-Y793 HydrophobicContact CD1-CE2 4.21Å; P745-Y793 WeakPolarHBondContact O-CE1 3.45Å; P745-Y793 PolarHBondContact O-OH 3.03Å; L748-Y793 HydrophobicContact CB-CD1 4.11Å; L748-Y793 HydrophobicContact CB-CE1 3.81Å; G775-Y793 CarbonylContact C-O 3.48Å; G775-Y793 PolarHBondContact N-O 3.34Å; L776-Y793 PolarHBondContact N-O 2.78Å; L776-Y793 PolarHBondContact O-N 3.13Å; L778-Y793 HydrophobicContact CD1-CD2 4.28Å; L778-Y793 HydrophobicContact CD1-CE2 4.18Å; F791-Y793 HydrophobicContact CB-CE2 4.06Å; Y793-V849 CarbonylContact C-O 3.55Å; Y793-V849 VanDerWaalsContact CA-O 3.29Å; Y793-V849 WeakPolarHBondContact CA-O 3.4Å; Y793-R850 HydrophobicContact CD1-CB 3.92Å; Y793-R850 VanDerWaalsContact CD1-N 3.34Å; Y793-R850 HydrophobicContact CE1-CB 3.58Å; Y793-R850 HydrophobicContact CE1-CG 4.14Å
794D97.8Very high89.5Confident25 Ų2550.2 Ų50.213%0.13426%0.258CS..EExtended strand (participates in β ladder)trans-116.1143168.1-59.4-49.1000109.7T774 G775 Y848 V849 R851T774-D794 WeakPolarHBondContact CA-OD1 3.28Å; T774-D794 WeakPolarHBondContact CB-OD1 3.4Å; G775-D794 PolarHBondContact N-OD1 2.92Å; D794-Y848 VanDerWaalsContact C-CD1 3.49Å; D794-Y848 CarbonylContact O-C 3.58Å; D794-Y848 WeakPolarHBondContact O-CA 3.31Å; D794-V849 PolarHBondContact N-O 3.36Å; D794-V849 PolarHBondContact O-N 3.3Å; D794-R851 VanDerWaalsContact CG-NE 3.29Å; D794-R851 IonicContact OD1-CZ 3.72Å; D794-R851 VanDerWaalsContact OD1-CZ 3.29Å; D794-R851 IonicContact OD1-NE 3.78Å; D794-R851 PolarHBondContact OD1-NE 3.14Å; D794-R851 VanDerWaalsContact OD1-NE 3.08Å; D794-R851 IonicContact OD1-NH2 2.68Å; D794-R851 PolarHBondContact OD1-NH2 2.76Å; D794-R851 WeakPolarHBondContact OD2-CG 3.4Å; D794-R851 IonicContact OD2-CZ 2.74Å; D794-R851 IonicContact OD2-NE 3.46Å; D794-R851 PolarHBondContact OD2-NE 3.05Å; D794-R851 IonicContact OD2-NH2 3.36Å
795L98.1Very high88.1Confident2 Ų249 Ų491%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-74.8131.1-179.5-170.473.1000109F771 L773 V798 W822 I838 L846 Y848F771-L795 HydrophobicContact CD2-CD2 3.95Å; F771-L795 HydrophobicContact CE2-CD2 3.75Å; L773-L795 HydrophobicContact CD1-CD2 4.17Å; L773-L795 HydrophobicContact CG-CD2 4.15Å; L773-L795 VanDerWaalsContact O-CB 3.31Å; L773-L795 WeakPolarHBondContact O-CB 3.38Å; L773-L795 PolarHBondContact O-N 3.18Å; L795-V798 HydrophobicContact CD1-CG2 4.13Å; L795-V798 HydrophobicContact CD2-CG2 3.62Å; L795-V798 HydrophobicContact CG-CG2 4.14Å; L795-W822 HydrophobicContact CB-CH2 4.26Å; L795-W822 HydrophobicContact CB-CZ2 4.45Å; L795-W822 HydrophobicContact CD2-CH2 4.02Å; L795-W822 HydrophobicContact CG-CH2 3.93Å; L795-W822 WeakPolarHBondContact O-CH2 3.33Å; L795-W822 VanDerWaalsContact O-CZ2 3.25Å; L795-W822 WeakPolarHBondContact O-CZ2 3.44Å; L795-I838 HydrophobicContact CD2-CG2 4.09Å; L795-L846 HydrophobicContact CD1-CB 3.9Å; L795-L846 HydrophobicContact CD1-CD2 4.47Å; L795-Y848 HydrophobicContact CB-CD1 4.1Å; L795-Y848 HydrophobicContact CB-CE1 3.7Å; L795-Y848 HydrophobicContact CD1-CD1 4.26Å; L795-Y848 HydrophobicContact CD1-CD2 3.98Å; L795-Y848 HydrophobicContact CD1-CE1 3.92Å; L795-Y848 HydrophobicContact CD1-CE2 3.64Å; L795-Y848 HydrophobicContact CD1-CG 4.28Å; L795-Y848 HydrophobicContact CG-CE1 4.4Å
796V97.8Very high86.4Confident13 Ų1347.9 Ų47.98%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-116.7-22.9177.5-59.20000113.3A814 L815 V847 V849V796-A814 CarbonylContact O-C 3.6Å; V796-A814 WeakPolarHBondContact O-CA 3.41Å; V796-L815 PolarHBondContact O-N 3.12Å; V796-V847 HydrophobicContact CG2-CB 4.24Å; V796-V847 HydrophobicContact CG2-CG1 3.87Å; V796-V847 WeakPolarHBondContact CG2-O 3.43Å; V796-V847 PolarHBondContact N-O 3.39Å; V796-V849 HydrophobicContact CB-CG2 4.28Å; V796-V849 HydrophobicContact CG1-CB 3.94Å; V796-V849 HydrophobicContact CG1-CG2 3.61Å; V796-V849 HydrophobicContact CG2-CG2 3.65Å
797A98.3Very high85.1Confident0 Ų041.6 Ų41.60%024%0.243CC..EExtended strand (participates in β ladder)trans-153.9156172.600000112.8C277 F813 A814 V847C277-A797 HydrophobicContact CB-CB 3.97Å; A797-F813 CarbonylContact C-O 3.58Å; A797-F813 WeakPolarHBondContact CA-O 3.33Å; A797-F813 WeakPolarHBondContact CB-O 3.3Å; A797-A814 HydrophobicContact CB-CB 4.04Å; A797-V847 HydrophobicContact CB-CB 4.14Å; A797-V847 HydrophobicContact CB-CG2 4.33Å; A797-V847 PolarHBondContact N-O 3.13Å; A797-V847 PolarHBondContact O-N 3.46Å
798V98.1Very high84.6Confident0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-134.3122.2171.9179.70000108.3F771 L795 N800 A812 F813 I838 A843 V845 L846F771-V798 HydrophobicContact CE2-CG2 4.06Å; F771-V798 HydrophobicContact CZ-CG2 4.4Å; L795-V798 HydrophobicContact CD1-CG2 4.13Å; L795-V798 HydrophobicContact CD2-CG2 3.62Å; L795-V798 HydrophobicContact CG-CG2 4.14Å; V798-N800 WeakPolarHBondContact CG1-OD1 3.44Å; V798-A812 CarbonylContact O-C 3.58Å; V798-A812 VanDerWaalsContact O-CA 3.27Å; V798-A812 WeakPolarHBondContact O-CA 3.32Å; V798-F813 HydrophobicContact CB-CB 4.3Å; V798-F813 HydrophobicContact CB-CD2 4.48Å; V798-F813 PolarHBondContact N-O 2.73Å; V798-F813 PolarHBondContact O-N 3.08Å; V798-I838 HydrophobicContact CG2-CG2 3.81Å; V798-A843 HydrophobicContact CG1-CB 3.72Å; V798-V845 CarbonylContact C-O 3.49Å; V798-V845 VanDerWaalsContact CA-O 3.3Å; V798-V845 WeakPolarHBondContact CA-O 3.16Å; V798-L846 HydrophobicContact CB-CD2 4.5Å; V798-L846 HydrophobicContact CG1-CD2 3.99Å; V798-L846 HydrophobicContact CG2-CD2 3.93Å
799S97.7Very high84.5Confident1 Ų131.5 Ų31.51%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-81.4126158.7178.10000108.3S273 T352 Y844 V845S273-S799 VanDerWaalsContact OG-CB 3.25Å; S273-S799 WeakPolarHBondContact OG-CB 3.24Å; S273-S799 PolarHBondContact OG-OG 2.84Å; T352-S799 WeakPolarHBondContact CG2-OG 3.25Å; S799-Y844 WeakPolarHBondContact O-CA 3.4Å; S799-Y844 WeakPolarHBondContact O-CB 3.42Å; S799-Y844 PolarHBondContact O-N 3.26Å; S799-V845 PolarHBondContact N-O 3.34Å; S799-V845 PolarHBondContact O-N 3.49Å
800N93.4Very high84.7Confident3 Ų329.1 Ų29.12%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-97.9154.2171.8-47.8-66.9000110.1V798 Y810 T811 F813 A842V798-N800 WeakPolarHBondContact CG1-OD1 3.44Å; N800-Y810 WeakPolarHBondContact O-CA 3.48Å; N800-Y810 VanDerWaalsContact O-CD1 3.27Å; N800-Y810 WeakPolarHBondContact O-CD1 3.37Å; N800-T811 PolarHBondContact N-O 3.21Å; N800-T811 PolarHBondContact ND2-O 2.79Å; N800-T811 PolarHBondContact ND2-OG1 2.79Å; N800-T811 PolarHBondContact O-N 3.43Å; N800-F813 WeakPolarHBondContact ND2-CD2 3.34Å; N800-F813 WeakPolarHBondContact ND2-CE2 3.27Å; N800-A842 CarbonylContact C-O 3.5Å; N800-A842 VanDerWaalsContact CA-O 3.24Å; N800-A842 WeakPolarHBondContact CA-O 3.27Å; N800-A842 HydrophobicContact CB-CB 4.01Å
801H89.2Confident84.7Confident1 Ų123 Ų231%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-135.8124.4169.1-173.5-103.6000111.2F755 K764 G803 Y804 Y810 A842 Y844F755-H801 AromaticContact CE1-CE1 3.99Å; F755-H801 AromaticContact CE1-ND1 3.87Å; F755-H801 AromaticContact CZ-CE1 3.68Å; F755-H801 AromaticContact CZ-ND1 3.45Å; F755-H801 WeakPolarHBondContact CZ-ND1 3.39Å; K764-H801 PolarHBondContact NZ-O 3.35Å; H801-G803 PolarHBondContact CE1-O 2.69Å; H801-G803 PolarHBondContact ND1-O 3.21Å; H801-Y804 PolarHBondContact CE1-O 2.81Å; H801-Y810 HydrophobicContact CB-CD1 3.87Å; H801-Y810 HydrophobicContact CB-CE1 3.65Å; H801-Y810 AromaticContact CD2-CD1 3.57Å; H801-Y810 AromaticContact CD2-CD2 3.61Å; H801-Y810 AromaticContact CD2-CE1 3.32Å; H801-Y810 WeakPolarHBondContact CD2-CE1 3.37Å; H801-Y810 AromaticContact CD2-CE2 3.36Å; H801-Y810 WeakPolarHBondContact CD2-CE2 2.98Å; H801-Y810 AromaticContact CD2-CG 3.72Å; H801-Y810 AromaticContact CD2-CZ 3.21Å; H801-Y810 AromaticContact CG-CE1 3.7Å; H801-Y810 AromaticContact CG-CZ 3.89Å; H801-Y810 AromaticContact NE2-CE2 3.75Å; H801-Y810 AromaticContact NE2-CZ 3.84Å; H801-A842 PolarHBondContact N-O 3.04Å; H801-Y844 HydrophobicContact CB-CG 4.31Å
802M77.6Confident84.8Confident82 Ų8222.8 Ų22.840%0.40415%0.145SC..EExtended strand (participates in β ladder)trans-107.4144.8172.4-62.7166.7-69.600108.6G808 H809 T811 A842M802-G808 CarbonylContact O-C 3.51Å; M802-G808 WeakPolarHBondContact O-CA 3.34Å; M802-H809 HydrophobicContact CE-CB 4.22Å; M802-H809 PolarHBondContact N-O 2.71Å; M802-H809 PolarHBondContact O-N 2.95Å; M802-T811 HydrophobicContact CE-CG2 3.83Å; M802-A842 HydrophobicContact CG-CB 4.18Å
803G67.3Low84.9Confident40 Ų4021.6 Ų21.641%0.41214%0.139SC..EExtended strand (participates in β ladder)trans77-159-170.700000113.5K764 H801K764-G803 WeakPolarHBondContact CD-O 3.29Å; K764-G803 PolarHBondContact NZ-O 2.73Å; H801-G803 PolarHBondContact CE1-O 2.69Å; H801-G803 PolarHBondContact ND1-O 3.21Å
804Y65Low84.9Confident62 Ų6221.6 Ų21.624%0.24314%0.139CC..EExtended strand (participates in β ladder)trans-120.6171.8-172.173.2-64.9000111.4L84 H801 G806 G807L84-Y804 HydrophobicContact CB-CE1 4.07Å; L84-Y804 HydrophobicContact CD1-CD1 3.3Å; L84-Y804 HydrophobicContact CD1-CE1 3.37Å; L84-Y804 HydrophobicContact CD1-CG 4.18Å; L84-Y804 HydrophobicContact CD2-CD1 4.04Å; L84-Y804 HydrophobicContact CD2-CE1 3.18Å; L84-Y804 HydrophobicContact CG-CD1 4.14Å; L84-Y804 HydrophobicContact CG-CE1 3.66Å; H801-Y804 PolarHBondContact CE1-O 2.81Å; Y804-G806 PolarHBondContact O-N 3.38Å; Y804-G806 VanDerWaalsContact O-N 3.09Å; Y804-G807 WeakPolarHBondContact CD1-O 3.26Å; Y804-G807 VanDerWaalsContact CE1-C 3.49Å; Y804-G807 WeakPolarHBondContact CE1-O 3.34Å; Y804-G807 VanDerWaalsContact CZ-N 3.34Å; Y804-G807 PolarHBondContact N-O 3.15Å; Y804-G807 VanDerWaalsContact N-O 3.11Å; Y804-G807 CarbonylContact O-C 3.52Å; Y804-G807 VanDerWaalsContact O-C 3.24Å; Y804-G807 PolarHBondContact O-N 3.11Å
805L57.8Low84.9Confident56 Ų5621.7 Ų21.729%0.29314%0.139SC..THydrogen-bonded Turntrans-59.2-27.9-166.9-166.671000115.1D351 F755D351-L805 HydrophobicContact CB-CD1 4.4Å; F755-L805 HydrophobicContact CD1-CB 4.09Å; F755-L805 HydrophobicContact CD1-CD1 4.44Å; F755-L805 HydrophobicContact CD2-CD1 3.79Å; F755-L805 HydrophobicContact CE1-CB 4.06Å; F755-L805 HydrophobicContact CE1-CD1 4.33Å; F755-L805 HydrophobicContact CE2-CD1 3.67Å; F755-L805 HydrophobicContact CG-CD1 4.17Å; F755-L805 HydrophobicContact CZ-CB 4.44Å; F755-L805 HydrophobicContact CZ-CD1 3.95Å
806G52.1Low84.8Confident55 Ų5521.6 Ų21.657%0.56714%0.138SC*.THydrogen-bonded Turntrans-99.50.9178.700000114.8Y804Y804-G806 PolarHBondContact O-N 3.38Å; Y804-G806 VanDerWaalsContact O-N 3.09Å
807G57.6Low84.5Confident21 Ų2123.8 Ų23.822%0.21616%0.158CC..EExtended strand (participates in β ladder)trans-173.992.7-173.900000111.3Y804Y804-G807 WeakPolarHBondContact CD1-O 3.26Å; Y804-G807 VanDerWaalsContact CE1-C 3.49Å; Y804-G807 WeakPolarHBondContact CE1-O 3.34Å; Y804-G807 VanDerWaalsContact CZ-N 3.34Å; Y804-G807 PolarHBondContact N-O 3.15Å; Y804-G807 VanDerWaalsContact N-O 3.11Å; Y804-G807 CarbonylContact O-C 3.52Å; Y804-G807 VanDerWaalsContact O-C 3.24Å; Y804-G807 PolarHBondContact O-N 3.11Å
808G73.3Confident84.1Confident17 Ų1730.1 Ų30.118%0.17519%0.187CC..EExtended strand (participates in β ladder)trans-160.1-170.2-175.700000111.4Q349 M802Q349-G808 PolarHBondContact NE2-O 3.09Å; Q349-G808 PolarHBondContact OE1-O 3.4Å; M802-G808 CarbonylContact O-C 3.51Å; M802-G808 WeakPolarHBondContact O-CA 3.34Å
809H83.4Confident83.9Confident51 Ų5132.4 Ų32.424%0.23620%0.201CC..EExtended strand (participates in β ladder)trans-144.3133.5177.6-172.340.6000110.4C269 M802 D826 D827C269-H809 VanDerWaalsContact CB-CE1 3.46Å; C269-H809 WeakPolarHBondContact CB-CE1 3.43Å; C269-H809 VanDerWaalsContact CB-ND1 3.32Å; C269-H809 WeakPolarHBondContact CB-ND1 3.35Å; C269-H809 PolarHBondContact SG-ND1 3.43Å; M802-H809 HydrophobicContact CE-CB 4.22Å; M802-H809 PolarHBondContact N-O 2.71Å; M802-H809 PolarHBondContact O-N 2.95Å; H809-D826 IonicContact CD2-OD1 3.58Å; H809-D826 IonicContact CE1-OD1 3.92Å; H809-D826 IonicContact NE2-OD1 3.58Å; H809-D826 PolarHBondContact NE2-OD1 2.91Å; H809-D827 IonicContact CE1-OD2 3.72Å; H809-D827 PolarHBondContact CE1-OD2 3.25Å
810Y91.8Very high83.7Confident5 Ų535.1 Ų35.12%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-104.9132.9179.5-73.4-83.7000110.2F270 H350 T352 N800 H801 Y844F270-Y810 HydrophobicContact CB-CD2 3.53Å; F270-Y810 HydrophobicContact CB-CE2 3.74Å; F270-Y810 HydrophobicContact CB-CG 4.19Å; H350-Y810 VanDerWaalsContact O-CE2 3.28Å; H350-Y810 WeakPolarHBondContact O-CE2 3.21Å; T352-Y810 WeakPolarHBondContact OG1-CD1 2.98Å; T352-Y810 WeakPolarHBondContact OG1-CE1 3.33Å; N800-Y810 WeakPolarHBondContact O-CA 3.48Å; N800-Y810 VanDerWaalsContact O-CD1 3.27Å; N800-Y810 WeakPolarHBondContact O-CD1 3.37Å; H801-Y810 HydrophobicContact CB-CD1 3.87Å; H801-Y810 HydrophobicContact CB-CE1 3.65Å; H801-Y810 AromaticContact CD2-CD1 3.57Å; H801-Y810 AromaticContact CD2-CD2 3.61Å; H801-Y810 AromaticContact CD2-CE1 3.32Å; H801-Y810 WeakPolarHBondContact CD2-CE1 3.37Å; H801-Y810 AromaticContact CD2-CE2 3.36Å; H801-Y810 WeakPolarHBondContact CD2-CE2 2.98Å; H801-Y810 AromaticContact CD2-CG 3.72Å; H801-Y810 AromaticContact CD2-CZ 3.21Å; H801-Y810 AromaticContact CG-CE1 3.7Å; H801-Y810 AromaticContact CG-CZ 3.89Å; H801-Y810 AromaticContact NE2-CE2 3.75Å; H801-Y810 AromaticContact NE2-CZ 3.84Å; Y810-Y844 AromaticContact CE1-CD1 3.81Å; Y810-Y844 HydrophobicContact CE1-CD1 3.81Å; Y810-Y844 HydrophobicContact CE1-CE1 4.07Å
811T92.9Very high83.8Confident3 Ų341 Ų412%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-138158.9177.160.10000108.9S273 N800 M802 F824 F825 D826S273-T811 PolarHBondContact OG-O 2.7Å; N800-T811 PolarHBondContact N-O 3.21Å; N800-T811 PolarHBondContact ND2-O 2.79Å; N800-T811 PolarHBondContact ND2-OG1 2.79Å; N800-T811 PolarHBondContact O-N 3.43Å; M802-T811 HydrophobicContact CE-CG2 3.83Å; T811-F824 HydrophobicContact CG2-CE2 4.34Å; T811-F824 HydrophobicContact CG2-CZ 3.79Å; T811-F824 VanDerWaalsContact OG1-CE2 3.28Å; T811-F824 WeakPolarHBondContact OG1-CE2 3.28Å; T811-F824 WeakPolarHBondContact OG1-CZ 3.32Å; T811-F825 WeakPolarHBondContact CA-O 3.39Å; T811-F825 WeakPolarHBondContact CB-O 3.4Å; T811-D826 HydrophobicContact CG2-CB 4.25Å; T811-D826 WeakPolarHBondContact CG2-OD1 3.49Å
812A97.5Very high84.1Confident0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-119.7139.5-179.600000112.4Q276 V798 F824 F825Q276-A812 HydrophobicContact CB-CB 3.76Å; V798-A812 CarbonylContact O-C 3.58Å; V798-A812 VanDerWaalsContact O-CA 3.27Å; V798-A812 WeakPolarHBondContact O-CA 3.32Å; A812-F824 CarbonylContact O-C 3.55Å; A812-F824 WeakPolarHBondContact O-CA 3.22Å; A812-F825 HydrophobicContact CB-CB 4.37Å; A812-F825 PolarHBondContact N-O 3.36Å; A812-F825 PolarHBondContact O-N 2.69Å
813F97.9Very high85Confident17 Ų1739 Ų398%0.07523%0.225CC..EExtended strand (participates in β ladder)trans-95.4139.3153.6-66.7-71.3000108.8A797 V798 N800 W822 Y823 F824 C833 K837 I838A797-F813 CarbonylContact C-O 3.58Å; A797-F813 WeakPolarHBondContact CA-O 3.33Å; A797-F813 WeakPolarHBondContact CB-O 3.3Å; V798-F813 HydrophobicContact CB-CB 4.3Å; V798-F813 HydrophobicContact CB-CD2 4.48Å; V798-F813 PolarHBondContact N-O 2.73Å; V798-F813 PolarHBondContact O-N 3.08Å; N800-F813 WeakPolarHBondContact ND2-CD2 3.34Å; N800-F813 WeakPolarHBondContact ND2-CE2 3.27Å; F813-W822 HydrophobicContact CB-CE3 4.16Å; F813-W822 HydrophobicContact CB-CZ3 4.22Å; F813-Y823 CarbonylContact C-O 3.39Å; F813-Y823 WeakPolarHBondContact CA-O 3.21Å; F813-F824 HydrophobicContact CD1-CB 3.94Å; F813-F824 AromaticContact CD1-CD2 3.69Å; F813-F824 HydrophobicContact CD1-CD2 3.69Å; F813-F824 HydrophobicContact CD1-CG 4.31Å; F813-F824 HydrophobicContact CE1-CB 3.86Å; F813-F824 AromaticContact CE1-CD2 3.36Å; F813-F824 HydrophobicContact CE1-CD2 3.36Å; F813-F824 HydrophobicContact CE1-CE2 4.24Å; F813-F824 HydrophobicContact CE1-CG 4Å; F813-F824 HydrophobicContact CE2-CD2 4.26Å; F813-F824 HydrophobicContact CE2-CE2 4.49Å; F813-F824 HydrophobicContact CG-CD2 4.28Å; F813-F824 AromaticContact CZ-CD2 3.67Å; F813-F824 HydrophobicContact CZ-CD2 3.67Å; F813-F824 HydrophobicContact CZ-CE2 4.1Å; F813-C833 VanDerWaalsContact CD1-SG 3.54Å; F813-C833 HydrophobicContact CE1-CB 4.24Å; F813-K837 WeakPolarHBondContact CZ-O 3.42Å; F813-I838 HydrophobicContact CB-CG1 4.5Å; F813-I838 HydrophobicContact CB-CG2 4.49Å; F813-I838 HydrophobicContact CD1-CG1 4.3Å; F813-I838 HydrophobicContact CD2-CG2 4.32Å; F813-I838 HydrophobicContact CG-CG1 4.22Å
814A98Very high86.2Confident0 Ų037.8 Ų37.80%021%0.209CC..EExtended strand (participates in β ladder)trans-147.1146.8169.400000113.5N280 V796 A797 W822 Y823 F825N280-A814 HydrophobicContact CB-CB 3.64Å; N280-A814 VanDerWaalsContact CG-CB 3.45Å; N280-A814 WeakPolarHBondContact ND2-CB 3.34Å; V796-A814 CarbonylContact O-C 3.6Å; V796-A814 WeakPolarHBondContact O-CA 3.41Å; A797-A814 HydrophobicContact CB-CB 4.04Å; A814-W822 WeakPolarHBondContact O-CA 3.41Å; A814-Y823 PolarHBondContact N-O 3.41Å; A814-Y823 PolarHBondContact O-N 3.27Å; A814-F825 HydrophobicContact CB-CD2 4.45Å; A814-F825 HydrophobicContact CB-CE2 3.88Å
815L97.6Very high87.5Confident26 Ų2635 Ų3514%0.13620%0.198CC..EExtended strand (participates in β ladder)trans-86111.9175.1179.261.8000109.2V796 A817 W822V796-L815 PolarHBondContact O-N 3.12Å; L815-A817 PolarHBondContact O-N 3.34Å; L815-W822 HydrophobicContact CB-CD2 3.97Å; L815-W822 HydrophobicContact CB-CE3 4.15Å; L815-W822 HydrophobicContact CB-CH2 4.09Å; L815-W822 HydrophobicContact CB-CZ2 3.92Å; L815-W822 HydrophobicContact CB-CZ3 4.22Å; L815-W822 HydrophobicContact CD1-CD2 4.4Å; L815-W822 HydrophobicContact CD1-CG 4.29Å
816N96.6Very high89Confident0 Ų034.6 Ų34.60%020%0.196CC..EExtended strand (participates in β ladder)trans-74.1119.7176.9-175.8-79.3000110.3P257 H818 T819 N820 R821 Y823P257-N816 PolarHBondContact O-ND2 2.92Å; N816-H818 VanDerWaalsContact C-N 3.26Å; N816-H818 PolarHBondContact O-N 2.9Å; N816-H818 WeakPolarHBondContact OD1-CB 3.48Å; N816-H818 PolarHBondContact OD1-N 3.08Å; N816-T819 PolarHBondContact O-N 2.91Å; N816-T819 PolarHBondContact OD1-N 3.2Å; N816-T819 VanDerWaalsContact OD1-N 3.14Å; N816-N820 WeakPolarHBondContact O-CA 3.33Å; N816-N820 PolarHBondContact O-N 3.49Å; N816-R821 PolarHBondContact N-O 3.45Å; N816-Y823 HydrophobicContact CB-CD2 3.82Å; N816-Y823 HydrophobicContact CB-CE2 3.64Å
817A91.9Very high90.8Very high59 Ų5933 Ų3349%0.48818%0.175SC..THydrogen-bonded Turntrans-67-17-175.200000115.3P282 L815P282-A817 HydrophobicContact CB-CB 4.28Å; P282-A817 HydrophobicContact CG-CB 4.07Å; L815-A817 PolarHBondContact O-N 3.34Å
818H90Very high92Very high134 Ų13433.5 Ų33.562%0.6218%0.175SC*.THydrogen-bonded Turntrans-88.1-44.4176.9-66.2121.7000112.7W321 N816W321-H818 AromaticContact CE3-CE1 3.66Å; W321-H818 AromaticContact CE3-ND1 3.78Å; W321-H818 AromaticContact CZ3-CE1 3.57Å; W321-H818 AromaticContact CZ3-ND1 3.4Å; W321-H818 WeakPolarHBondContact CZ3-ND1 3.19Å; N816-H818 VanDerWaalsContact C-N 3.26Å; N816-H818 PolarHBondContact O-N 2.9Å; N816-H818 WeakPolarHBondContact OD1-CB 3.48Å; N816-H818 PolarHBondContact OD1-N 3.08Å
819T92.6Very high92.2Very high48 Ų4835.5 Ų35.529%0.29419%0.186SC..THydrogen-bonded Turntrans-88.6-16.3-178.861.40000113.1V256 N816 R821 Y823V256-T819 HydrophobicContact CG1-CG2 3.5Å; V256-T819 VanDerWaalsContact CG1-CG2 3.5Å; V256-T819 HydrophobicContact CG2-CG2 4.3Å; N816-T819 PolarHBondContact O-N 2.91Å; N816-T819 PolarHBondContact OD1-N 3.2Å; N816-T819 VanDerWaalsContact OD1-N 3.14Å; T819-R821 VanDerWaalsContact C-N 3.27Å; T819-R821 PolarHBondContact O-N 3.3Å; T819-Y823 WeakPolarHBondContact OG1-CE2 3.39Å; T819-Y823 PolarHBondContact OG1-OH 2.89Å
820N93.6Very high92.3Very high58 Ų5835.1 Ų35.131%0.3119%0.188SC..THydrogen-bonded Turntrans5443.8-171.1-168.344.7000112.5N816 I858 C859N816-N820 WeakPolarHBondContact O-CA 3.33Å; N816-N820 PolarHBondContact O-N 3.49Å; N820-I858 WeakPolarHBondContact OD1-CG2 3.46Å; N820-C859 PolarHBondContact ND2-SG 3Å
821R95.8Very high92Very high127 Ų12741.1 Ų41.148%0.47921%0.21SC..EExtended strand (participates in β ladder)trans-130.5151.8178.7-64-178.3179.6-153.9-2.6110.7N816 T819 Y823 E832N816-R821 PolarHBondContact N-O 3.45Å; T819-R821 VanDerWaalsContact C-N 3.27Å; T819-R821 PolarHBondContact O-N 3.3Å; R821-Y823 HydrophobicContact CB-CE2 3.86Å; R821-Y823 WeakPolarHBondContact O-CD2 3.32Å; R821-Y823 WeakPolarHBondContact O-CE2 3.44Å; R821-E832 WeakPolarHBondContact CD-OE1 3.48Å; R821-E832 WeakPolarHBondContact CD-OE2 3.38Å; R821-E832 IonicContact CZ-OE1 3.21Å; R821-E832 IonicContact CZ-OE2 3.14Å; R821-E832 IonicContact NE-OE1 2.88Å; R821-E832 VanDerWaalsContact NH1-CD 3.27Å; R821-E832 IonicContact NH1-OE1 3.47Å; R821-E832 PolarHBondContact NH1-OE1 3.14Å; R821-E832 IonicContact NH1-OE2 2.6Å; R821-E832 PolarHBondContact NH1-OE2 3.06Å
822W96.3Very high91.9Very high22 Ų2245.9 Ų45.98%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-86.2138.6176.2-74.693.5000111.2L795 F813 A814 L815 C833 I838L795-W822 HydrophobicContact CB-CH2 4.26Å; L795-W822 HydrophobicContact CB-CZ2 4.45Å; L795-W822 HydrophobicContact CD2-CH2 4.02Å; L795-W822 HydrophobicContact CG-CH2 3.93Å; L795-W822 WeakPolarHBondContact O-CH2 3.33Å; L795-W822 VanDerWaalsContact O-CZ2 3.25Å; L795-W822 WeakPolarHBondContact O-CZ2 3.44Å; F813-W822 HydrophobicContact CB-CE3 4.16Å; F813-W822 HydrophobicContact CB-CZ3 4.22Å; A814-W822 WeakPolarHBondContact O-CA 3.41Å; L815-W822 HydrophobicContact CB-CD2 3.97Å; L815-W822 HydrophobicContact CB-CE3 4.15Å; L815-W822 HydrophobicContact CB-CH2 4.09Å; L815-W822 HydrophobicContact CB-CZ2 3.92Å; L815-W822 HydrophobicContact CB-CZ3 4.22Å; L815-W822 HydrophobicContact CD1-CD2 4.4Å; L815-W822 HydrophobicContact CD1-CG 4.29Å; W822-C833 VanDerWaalsContact C-SG 3.56Å; W822-C833 PolarHBondContact O-N 3.25Å; W822-I838 HydrophobicContact CB-CD1 4.06Å; W822-I838 HydrophobicContact CD2-CD1 3.17Å; W822-I838 HydrophobicContact CD2-CG1 4.46Å; W822-I838 VanDerWaalsContact CE2-CD1 3.46Å; W822-I838 HydrophobicContact CE3-CD1 3.45Å; W822-I838 VanDerWaalsContact CE3-CD1 3.45Å; W822-I838 HydrophobicContact CE3-CG1 4.42Å; W822-I838 HydrophobicContact CG-CD1 3.46Å; W822-I838 VanDerWaalsContact CG-CD1 3.46Å; W822-I838 HydrophobicContact CH2-CD1 4.24Å; W822-I838 HydrophobicContact CZ2-CD1 4Å; W822-I838 HydrophobicContact CZ3-CD1 3.98Å
823Y95.3Very high91.4Very high17 Ų1746.8 Ų46.87%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-126.8145.9174.9-63.4-95.4000110.1V259 F813 A814 N816 T819 R821 R831 E832V259-Y823 HydrophobicContact CB-CD1 4.43Å; V259-Y823 HydrophobicContact CB-CE1 4.45Å; V259-Y823 HydrophobicContact CG1-CD1 3.59Å; V259-Y823 HydrophobicContact CG1-CE1 3.83Å; V259-Y823 HydrophobicContact CG1-CG 4.17Å; V259-Y823 HydrophobicContact CG2-CD1 3.89Å; V259-Y823 HydrophobicContact CG2-CD2 3.85Å; V259-Y823 HydrophobicContact CG2-CE1 3.74Å; V259-Y823 HydrophobicContact CG2-CE2 3.69Å; V259-Y823 HydrophobicContact CG2-CG 3.96Å; F813-Y823 CarbonylContact C-O 3.39Å; F813-Y823 WeakPolarHBondContact CA-O 3.21Å; A814-Y823 PolarHBondContact N-O 3.41Å; A814-Y823 PolarHBondContact O-N 3.27Å; N816-Y823 HydrophobicContact CB-CD2 3.82Å; N816-Y823 HydrophobicContact CB-CE2 3.64Å; T819-Y823 WeakPolarHBondContact OG1-CE2 3.39Å; T819-Y823 PolarHBondContact OG1-OH 2.89Å; R821-Y823 HydrophobicContact CB-CE2 3.86Å; R821-Y823 WeakPolarHBondContact O-CD2 3.32Å; R821-Y823 WeakPolarHBondContact O-CE2 3.44Å; Y823-R831 CarbonylContact C-O 3.24Å; Y823-R831 VanDerWaalsContact CA-O 3.27Å; Y823-R831 WeakPolarHBondContact CA-O 3.49Å; Y823-E832 HydrophobicContact CD1-CB 4.1Å; Y823-E832 HydrophobicContact CE1-CB 3.89Å; Y823-E832 HydrophobicContact CE1-CG 4.28Å
824F93.7Very high90.9Very high16 Ų1649.4 Ų49.47%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-100.7131.1169.5-179.3-103000109.2T811 A812 F813 D826 T830 R831 C833T811-F824 HydrophobicContact CG2-CE2 4.34Å; T811-F824 HydrophobicContact CG2-CZ 3.79Å; T811-F824 VanDerWaalsContact OG1-CE2 3.28Å; T811-F824 WeakPolarHBondContact OG1-CE2 3.28Å; T811-F824 WeakPolarHBondContact OG1-CZ 3.32Å; A812-F824 CarbonylContact O-C 3.55Å; A812-F824 WeakPolarHBondContact O-CA 3.22Å; F813-F824 HydrophobicContact CD1-CB 3.94Å; F813-F824 AromaticContact CD1-CD2 3.69Å; F813-F824 HydrophobicContact CD1-CD2 3.69Å; F813-F824 HydrophobicContact CD1-CG 4.31Å; F813-F824 HydrophobicContact CE1-CB 3.86Å; F813-F824 AromaticContact CE1-CD2 3.36Å; F813-F824 HydrophobicContact CE1-CD2 3.36Å; F813-F824 HydrophobicContact CE1-CE2 4.24Å; F813-F824 HydrophobicContact CE1-CG 4Å; F813-F824 HydrophobicContact CE2-CD2 4.26Å; F813-F824 HydrophobicContact CE2-CE2 4.49Å; F813-F824 HydrophobicContact CG-CD2 4.28Å; F813-F824 AromaticContact CZ-CD2 3.67Å; F813-F824 HydrophobicContact CZ-CD2 3.67Å; F813-F824 HydrophobicContact CZ-CE2 4.1Å; F824-D826 HydrophobicContact CD1-CB 4.07Å; F824-D826 HydrophobicContact CE1-CB 3.54Å; F824-D826 WeakPolarHBondContact CE1-OD2 3.17Å; F824-D826 HydrophobicContact CZ-CB 4.28Å; F824-T830 WeakPolarHBondContact O-CA 3.41Å; F824-R831 HydrophobicContact CB-CG 3.97Å; F824-R831 HydrophobicContact CD1-CG 4.22Å; F824-R831 PolarHBondContact N-O 3.32Å; F824-R831 PolarHBondContact O-N 3.23Å; F824-C833 HydrophobicContact CB-CB 4.41Å
825F92.1Very high90.5Very high4 Ų452 Ų522%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-117.8121.7-178.6-58.9-99.9000108.6Q276 T811 A812 A814 T830Q276-F825 HydrophobicContact CB-CB 4.4Å; Q276-F825 HydrophobicContact CB-CG 4.34Å; Q276-F825 HydrophobicContact CG-CB 3.82Å; Q276-F825 HydrophobicContact CG-CD1 4.02Å; Q276-F825 HydrophobicContact CG-CG 3.93Å; T811-F825 WeakPolarHBondContact CA-O 3.39Å; T811-F825 WeakPolarHBondContact CB-O 3.4Å; A812-F825 HydrophobicContact CB-CB 4.37Å; A812-F825 PolarHBondContact N-O 3.36Å; A812-F825 PolarHBondContact O-N 2.69Å; A814-F825 HydrophobicContact CB-CD2 4.45Å; A814-F825 HydrophobicContact CB-CE2 3.88Å; F825-T830 HydrophobicContact CD1-CG2 3.54Å; F825-T830 HydrophobicContact CE1-CG2 3.89Å; F825-T830 HydrophobicContact CG-CG2 4.43Å
826D89Confident90.1Very high46 Ų4655.1 Ų55.125%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-134.682.9-173.5-163-6.4000107.2H809 T811 F824 S828 S829H809-D826 IonicContact CD2-OD1 3.58Å; H809-D826 IonicContact CE1-OD1 3.92Å; H809-D826 IonicContact NE2-OD1 3.58Å; H809-D826 PolarHBondContact NE2-OD1 2.91Å; T811-D826 HydrophobicContact CG2-CB 4.25Å; T811-D826 WeakPolarHBondContact CG2-OD1 3.49Å; F824-D826 HydrophobicContact CD1-CB 4.07Å; F824-D826 HydrophobicContact CE1-CB 3.54Å; F824-D826 WeakPolarHBondContact CE1-OD2 3.17Å; F824-D826 HydrophobicContact CZ-CB 4.28Å; D826-S828 PolarHBondContact O-N 3.45Å; D826-S828 VanDerWaalsContact O-N 3.17Å; D826-S829 PolarHBondContact N-O 2.76Å; D826-S829 WeakPolarHBondContact O-CB 3.44Å; D826-S829 PolarHBondContact O-N 3.46Å
827D90.2Very high89.7Confident23 Ų2361.7 Ų61.712%0.12332%0.322CS..THydrogen-bonded Turntrans45.4-116.2-164.7-65.8-40.7000112.7G261 L262 N264 C269 N272 H809 S829G261-D827 CarbonylContact C-O 3.51Å; G261-D827 VanDerWaalsContact CA-O 3.25Å; G261-D827 WeakPolarHBondContact CA-O 3.48Å; L262-D827 PolarHBondContact N-O 2.83Å; L262-D827 CarbonylContact O-C 3.56Å; L262-D827 WeakPolarHBondContact O-CA 3.38Å; L262-D827 WeakPolarHBondContact O-CB 3.21Å; N264-D827 HydrophobicContact CB-CB 4.18Å; N264-D827 WeakPolarHBondContact CB-OD2 3.34Å; N264-D827 PolarHBondContact ND2-OD2 3.13Å; C269-D827 WeakPolarHBondContact CA-OD1 3.49Å; N272-D827 WeakPolarHBondContact CB-OD1 3.39Å; N272-D827 PolarHBondContact ND2-OD1 3.42Å; H809-D827 IonicContact CE1-OD2 3.72Å; H809-D827 PolarHBondContact CE1-OD2 3.25Å; D827-S829 PolarHBondContact O-N 2.74Å
828S81.7Confident89.6Confident31 Ų3158.9 Ų58.922%0.21730%0.299CS..THydrogen-bonded Turntrans-70-17.4-178.660.90000113.4E185 L262 N263 D826E185-S828 PolarHBondContact OE2-OG 3.2Å; L262-S828 PolarHBondContact O-N 3.42Å; N263-S828 WeakPolarHBondContact OD1-CB 3.35Å; D826-S828 PolarHBondContact O-N 3.45Å; D826-S828 VanDerWaalsContact O-N 3.17Å
829S78.6Confident89.7Confident59 Ų5954.7 Ų54.741%0.41328%0.283SS..EExtended strand (participates in β ladder)trans-88.5136-177.4-175.90000112.6D826 D827D826-S829 PolarHBondContact N-O 2.76Å; D826-S829 WeakPolarHBondContact O-CB 3.44Å; D826-S829 PolarHBondContact O-N 3.46Å; D827-S829 PolarHBondContact O-N 2.74Å
830T85.6Confident89.6Confident43 Ų4354.4 Ų54.426%0.26428%0.281SS..EExtended strand (participates in β ladder)trans-132.9138173.764.80000111F824 F825F824-T830 WeakPolarHBondContact O-CA 3.41Å; F825-T830 HydrophobicContact CD1-CG2 3.54Å; F825-T830 HydrophobicContact CE1-CG2 3.89Å; F825-T830 HydrophobicContact CG-CG2 4.43Å
831R85.5Confident89.3Confident131 Ų13154 Ų5449%0.49428%0.283SS..EExtended strand (participates in β ladder)trans-144.6144.3175.460.8-174-178.4-117.95.5111.7Y823 F824Y823-R831 CarbonylContact C-O 3.24Å; Y823-R831 VanDerWaalsContact CA-O 3.27Å; Y823-R831 WeakPolarHBondContact CA-O 3.49Å; F824-R831 HydrophobicContact CB-CG 3.97Å; F824-R831 HydrophobicContact CD1-CG 4.22Å; F824-R831 PolarHBondContact N-O 3.32Å; F824-R831 PolarHBondContact O-N 3.23Å
832E90.8Very high89Confident102 Ų10248.7 Ų48.748%0.47727%0.266SS..EExtended strand (participates in β ladder)trans-63.4142.9168.2-169.2175.2135.900109.5R821 Y823R821-E832 WeakPolarHBondContact CD-OE1 3.48Å; R821-E832 WeakPolarHBondContact CD-OE2 3.38Å; R821-E832 IonicContact CZ-OE1 3.21Å; R821-E832 IonicContact CZ-OE2 3.14Å; R821-E832 IonicContact NE-OE1 2.88Å; R821-E832 VanDerWaalsContact NH1-CD 3.27Å; R821-E832 IonicContact NH1-OE1 3.47Å; R821-E832 PolarHBondContact NH1-OE1 3.14Å; R821-E832 IonicContact NH1-OE2 2.6Å; R821-E832 PolarHBondContact NH1-OE2 3.06Å; Y823-E832 HydrophobicContact CD1-CB 4.1Å; Y823-E832 HydrophobicContact CE1-CB 3.89Å; Y823-E832 HydrophobicContact CE1-CG 4.28Å
833C86Confident88.9Confident19 Ų1947.7 Ų47.713%0.12826%0.262CS..  trans-137.9144.9-179.7630000112.4F813 W822 F824F813-C833 VanDerWaalsContact CD1-SG 3.54Å; F813-C833 HydrophobicContact CE1-CB 4.24Å; W822-C833 VanDerWaalsContact C-SG 3.56Å; W822-C833 PolarHBondContact O-N 3.25Å; F824-C833 HydrophobicContact CB-CB 4.41Å
834D87.3Confident88.9Confident73 Ų7347 Ų4739%0.3926%0.26SS..  trans-69138.1176.4-171.2-81.6000111.6S836 K837D834-S836 PolarHBondContact O-N 3.06Å; D834-S836 VanDerWaalsContact O-N 3.13Å; D834-S836 WeakPolarHBondContact OD1-CB 3.25Å; D834-S836 PolarHBondContact OD1-N 2.55Å; D834-S836 PolarHBondContact OD1-OG 3.43Å; D834-K837 PolarHBondContact O-N 2.94Å
835P90.8Very high89.1Confident55 Ų5546.2 Ų46.236%0.35726%0.256SS..G310 helixtrans-53.2-31.9178.7-27.134.6000114.8L773 K837 I838L773-P835 HydrophobicContact CD2-CB 3.8Å; L773-P835 WeakPolarHBondContact CD2-O 3.31Å; P835-K837 PolarHBondContact O-N 2.72Å; P835-K837 VanDerWaalsContact O-N 3.11Å; P835-I838 WeakPolarHBondContact O-CG1 3.46Å; P835-I838 PolarHBondContact O-N 3.48Å
836S88.3Confident89.4Confident91 Ų9146 Ų4664%0.63626%0.255SS*.G310 helixtrans-61.1-18.8178.262.80000114.1D834D834-S836 PolarHBondContact O-N 3.06Å; D834-S836 VanDerWaalsContact O-N 3.13Å; D834-S836 WeakPolarHBondContact OD1-CB 3.25Å; D834-S836 PolarHBondContact OD1-N 2.55Å; D834-S836 PolarHBondContact OD1-OG 3.43Å
837K87.5Confident89.8Confident137 Ų13743.8 Ų43.860%0.59624%0.244SC*.G310 helixtrans-92.10.7-177.1-61.1-176.2179179.80114.3F813 D834 P835 T840F813-K837 WeakPolarHBondContact CZ-O 3.42Å; D834-K837 PolarHBondContact O-N 2.94Å; P835-K837 PolarHBondContact O-N 2.72Å; P835-K837 VanDerWaalsContact O-N 3.11Å; K837-T840 WeakPolarHBondContact O-CG2 3.44Å
838I91.3Very high90.2Very high0 Ų042.7 Ų42.70%024%0.238CC..SBendtrans-83.4-38.9-173.6-62.2171.9000111.7F771 L773 L795 V798 F813 W822 P835 T840F771-I838 HydrophobicContact CE2-CG2 4.23Å; L773-I838 HydrophobicContact CD1-CB 4.41Å; L773-I838 HydrophobicContact CD1-CG2 4.33Å; L773-I838 HydrophobicContact CD2-CB 4.48Å; L773-I838 HydrophobicContact CD2-CD1 3.93Å; L773-I838 HydrophobicContact CG-CD1 4.49Å; L795-I838 HydrophobicContact CD2-CG2 4.09Å; V798-I838 HydrophobicContact CG2-CG2 3.81Å; F813-I838 HydrophobicContact CB-CG1 4.5Å; F813-I838 HydrophobicContact CB-CG2 4.49Å; F813-I838 HydrophobicContact CD1-CG1 4.3Å; F813-I838 HydrophobicContact CD2-CG2 4.32Å; F813-I838 HydrophobicContact CG-CG1 4.22Å; W822-I838 HydrophobicContact CB-CD1 4.06Å; W822-I838 HydrophobicContact CD2-CD1 3.17Å; W822-I838 HydrophobicContact CD2-CG1 4.46Å; W822-I838 VanDerWaalsContact CE2-CD1 3.46Å; W822-I838 HydrophobicContact CE3-CD1 3.45Å; W822-I838 VanDerWaalsContact CE3-CD1 3.45Å; W822-I838 HydrophobicContact CE3-CG1 4.42Å; W822-I838 HydrophobicContact CG-CD1 3.46Å; W822-I838 VanDerWaalsContact CG-CD1 3.46Å; W822-I838 HydrophobicContact CH2-CD1 4.24Å; W822-I838 HydrophobicContact CZ2-CD1 4Å; W822-I838 HydrophobicContact CZ3-CD1 3.98Å; P835-I838 WeakPolarHBondContact O-CG1 3.46Å; P835-I838 PolarHBondContact O-N 3.48Å; I838-T840 PolarHBondContact O-N 3.06Å; I838-T840 VanDerWaalsContact O-N 3.15Å
839V92.6Very high91Very high47 Ų4743 Ų4329%0.28524%0.239SC..  trans-78.8101.2179.7-172.70000109.2L768 F771 L773L768-V839 HydrophobicContact CD1-CG1 4.36Å; F771-V839 HydrophobicContact CD1-CG1 4.27Å; F771-V839 HydrophobicContact CD2-CG2 4.34Å; F771-V839 HydrophobicContact CE1-CB 4.47Å; F771-V839 HydrophobicContact CE1-CG1 4.02Å; F771-V839 HydrophobicContact CE2-CG2 4.05Å; F771-V839 HydrophobicContact CZ-CB 4.29Å; F771-V839 HydrophobicContact CZ-CG1 4.33Å; F771-V839 HydrophobicContact CZ-CG2 4.2Å; L773-V839 HydrophobicContact CD1-CG2 3.5Å
840T89.6Confident91.9Very high42 Ų4242.3 Ų42.326%0.25823%0.227SC..  trans-138.3162.3-177.967.40000111.3L768 K837 I838 A842 A843L768-T840 VanDerWaalsContact CD1-C 3.4Å; K837-T840 WeakPolarHBondContact O-CG2 3.44Å; I838-T840 PolarHBondContact O-N 3.06Å; I838-T840 VanDerWaalsContact O-N 3.15Å; T840-A842 PolarHBondContact O-N 2.85Å; T840-A842 PolarHBondContact OG1-N 3.19Å; T840-A843 WeakPolarHBondContact O-CB 3.42Å; T840-A843 PolarHBondContact O-N 3.2Å
841S87.4Confident92.3Very high50 Ų5045.2 Ų45.235%0.3523%0.233SC..THydrogen-bonded Turntrans-61.2-24.6171.2450000113.1R754 D766 A843R754-S841 PolarHBondContact NE-O 3.07Å; R754-S841 PolarHBondContact NH2-O 2.93Å; D766-S841 WeakPolarHBondContact O-CB 3.43Å; S841-A843 VanDerWaalsContact C-N 3.31Å; S841-A843 PolarHBondContact O-N 2.86Å
842A89.6Confident92.1Very high15 Ų1546.4 Ų46.412%0.12424%0.242CC..THydrogen-bonded Turntrans-72.1-21.3177.700000113.1N800 H801 M802 T840 Y844N800-A842 CarbonylContact C-O 3.5Å; N800-A842 VanDerWaalsContact CA-O 3.24Å; N800-A842 WeakPolarHBondContact CA-O 3.27Å; N800-A842 HydrophobicContact CB-CB 4.01Å; H801-A842 PolarHBondContact N-O 3.04Å; M802-A842 HydrophobicContact CG-CB 4.18Å; T840-A842 PolarHBondContact O-N 2.85Å; T840-A842 PolarHBondContact OG1-N 3.19Å; A842-Y844 PolarHBondContact O-N 2.94Å
843A94.1Very high90.7Very high0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-57.2126.5-178.400000111.7R754 F771 V798 T840 S841 L846R754-A843 PolarHBondContact NE-O 2.82Å; R754-A843 PolarHBondContact NH2-O 2.88Å; R754-A843 VanDerWaalsContact NH2-O 3.12Å; F771-A843 HydrophobicContact CE1-CB 3.4Å; F771-A843 VanDerWaalsContact CE1-CB 3.4Å; F771-A843 HydrophobicContact CZ-CB 3.52Å; V798-A843 HydrophobicContact CG1-CB 3.72Å; T840-A843 WeakPolarHBondContact O-CB 3.42Å; T840-A843 PolarHBondContact O-N 3.2Å; S841-A843 VanDerWaalsContact C-N 3.31Å; S841-A843 PolarHBondContact O-N 2.86Å; A843-L846 HydrophobicContact CB-CD2 4.32Å
844Y95.1Very high88.9Confident2 Ų251.4 Ų51.41%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-129.8-45.5-166.7177.8-117.3000113.9D351 H353 Q751 L752 R754 F755 S799 H801 Y810 A842D351-Y844 VanDerWaalsContact OD1-CE1 3.29Å; D351-Y844 WeakPolarHBondContact OD1-CE1 3.32Å; D351-Y844 PolarHBondContact OD1-OH 3.32Å; D351-Y844 PolarHBondContact OD2-OH 3.01Å; H353-Y844 HydrophobicContact CB-CE1 4.42Å; Q751-Y844 HydrophobicContact CG-CE2 4.33Å; Q751-Y844 PolarHBondContact NE2-OH 2.89Å; L752-Y844 PolarHBondContact N-O 3.18Å; L752-Y844 WeakPolarHBondContact O-CD2 3.48Å; L752-Y844 WeakPolarHBondContact O-CE2 3.26Å; R754-Y844 HydrophobicContact CB-CD2 4.33Å; R754-Y844 HydrophobicContact CB-CE2 4.46Å; R754-Y844 HydrophobicContact CG-CD2 4.36Å; F755-Y844 AromaticContact CD2-CE2 3.83Å; F755-Y844 HydrophobicContact CD2-CE2 3.83Å; F755-Y844 AromaticContact CD2-CZ 3.88Å; F755-Y844 HydrophobicContact CE2-CD2 4.39Å; F755-Y844 HydrophobicContact CE2-CE1 4.22Å; F755-Y844 AromaticContact CE2-CE2 3.62Å; F755-Y844 HydrophobicContact CE2-CE2 3.62Å; F755-Y844 AromaticContact CE2-CZ 3.52Å; F755-Y844 WeakPolarHBondContact CE2-OH 3.25Å; S799-Y844 WeakPolarHBondContact O-CA 3.4Å; S799-Y844 WeakPolarHBondContact O-CB 3.42Å; S799-Y844 PolarHBondContact O-N 3.26Å; H801-Y844 HydrophobicContact CB-CG 4.31Å; Y810-Y844 AromaticContact CE1-CD1 3.81Å; Y810-Y844 HydrophobicContact CE1-CD1 3.81Å; Y810-Y844 HydrophobicContact CE1-CE1 4.07Å; A842-Y844 PolarHBondContact O-N 2.94Å
845V97.7Very high86.5Confident0 Ų051.5 Ų51.50%030%0.3CS..EExtended strand (participates in β ladder)trans-121.7127.4168.6-174.70000108.9H353 L356 V749 V750 Q751 V798 S799H353-V845 HydrophobicContact CB-CG2 4Å; L356-V845 HydrophobicContact CD1-CG1 4.24Å; V749-V845 HydrophobicContact CG1-CG1 3.7Å; V750-V845 CarbonylContact O-C 3.57Å; V750-V845 WeakPolarHBondContact O-CA 3.44Å; Q751-V845 HydrophobicContact CG-CG2 4.43Å; V798-V845 CarbonylContact C-O 3.49Å; V798-V845 VanDerWaalsContact CA-O 3.3Å; V798-V845 WeakPolarHBondContact CA-O 3.16Å; S799-V845 PolarHBondContact N-O 3.34Å; S799-V845 PolarHBondContact O-N 3.49Å
846L98.4Very high83.6Confident0 Ų055.1 Ų55.10%032%0.321CS..EExtended strand (participates in β ladder)trans-104.6134.4176.4-47.2177.8000109.1L705 V750 L752 F771 L795 V798 A843 Y848L705-L846 HydrophobicContact CD1-CD1 4.11Å; L705-L846 HydrophobicContact CD2-CD1 3.98Å; V750-L846 HydrophobicContact CB-CB 4.29Å; V750-L846 PolarHBondContact N-O 2.93Å; V750-L846 PolarHBondContact O-N 3.27Å; L752-L846 HydrophobicContact CD1-CD1 4.33Å; L752-L846 HydrophobicContact CD1-CG 4.4Å; L752-L846 HydrophobicContact CD2-CD1 4.42Å; F771-L846 HydrophobicContact CB-CD1 3.82Å; F771-L846 HydrophobicContact CD1-CD1 4.12Å; F771-L846 HydrophobicContact CD1-CD2 4.17Å; F771-L846 HydrophobicContact CD2-CD1 4.13Å; F771-L846 HydrophobicContact CD2-CD2 3.94Å; F771-L846 HydrophobicContact CE1-CD2 4.06Å; F771-L846 HydrophobicContact CE2-CD2 3.8Å; F771-L846 HydrophobicContact CG-CD1 3.76Å; F771-L846 HydrophobicContact CG-CD2 4.12Å; F771-L846 HydrophobicContact CZ-CD2 3.86Å; L795-L846 HydrophobicContact CD1-CB 3.9Å; L795-L846 HydrophobicContact CD1-CD2 4.47Å; V798-L846 HydrophobicContact CB-CD2 4.5Å; V798-L846 HydrophobicContact CG1-CD2 3.99Å; V798-L846 HydrophobicContact CG2-CD2 3.93Å; A843-L846 HydrophobicContact CB-CD2 4.32Å; L846-Y848 HydrophobicContact CB-CD2 4.08Å; L846-Y848 HydrophobicContact CB-CE2 3.77Å; L846-Y848 HydrophobicContact CD1-CE2 3.96Å
847V98.4Very high80.9Confident0 Ų058.6 Ų58.60%033%0.327CS..EExtended strand (participates in β ladder)trans-116.4116.9174.9-173.40000108.9C277 M278 V281 V747 V749 V796 A797C277-V847 HydrophobicContact CB-CG2 4.11Å; M278-V847 HydrophobicContact CE-CG1 4.21Å; M278-V847 HydrophobicContact CE-CG2 3.86Å; V281-V847 HydrophobicContact CG2-CG1 3.93Å; V747-V847 HydrophobicContact CG1-CG1 3.91Å; V749-V847 HydrophobicContact CG2-CG1 4.43Å; V749-V847 HydrophobicContact CG2-CG2 4.47Å; V796-V847 HydrophobicContact CG2-CB 4.24Å; V796-V847 HydrophobicContact CG2-CG1 3.87Å; V796-V847 WeakPolarHBondContact CG2-O 3.43Å; V796-V847 PolarHBondContact N-O 3.39Å; A797-V847 HydrophobicContact CB-CB 4.14Å; A797-V847 HydrophobicContact CB-CG2 4.33Å; A797-V847 PolarHBondContact N-O 3.13Å; A797-V847 PolarHBondContact O-N 3.46Å
848Y98.4Very high78.6Confident0 Ų056.8 Ų56.80%032%0.324CS..EExtended strand (participates in β ladder)trans-113.4140.6-175.7-85.2-78.1000110.8L705 V747 L748 P772 L776 D794 L795 L846L705-Y848 HydrophobicContact CD2-CE2 3.97Å; V747-Y848 CarbonylContact C-O 3.45Å; V747-Y848 WeakPolarHBondContact CA-O 3.24Å; L748-Y848 PolarHBondContact N-O 3.34Å; L748-Y848 PolarHBondContact O-N 2.95Å; P772-Y848 WeakPolarHBondContact O-CE1 3.42Å; P772-Y848 PolarHBondContact O-OH 3.42Å; L776-Y848 HydrophobicContact CB-CD1 4.25Å; L776-Y848 HydrophobicContact CB-CE1 3.87Å; L776-Y848 HydrophobicContact CD2-CD1 3.96Å; L776-Y848 HydrophobicContact CD2-CD2 3.95Å; L776-Y848 HydrophobicContact CD2-CE1 3.8Å; L776-Y848 HydrophobicContact CD2-CE2 3.76Å; L776-Y848 HydrophobicContact CD2-CG 4.05Å; L776-Y848 HydrophobicContact CG-CE1 4.47Å; D794-Y848 VanDerWaalsContact C-CD1 3.49Å; D794-Y848 CarbonylContact O-C 3.58Å; D794-Y848 WeakPolarHBondContact O-CA 3.31Å; L795-Y848 HydrophobicContact CB-CD1 4.1Å; L795-Y848 HydrophobicContact CB-CE1 3.7Å; L795-Y848 HydrophobicContact CD1-CD1 4.26Å; L795-Y848 HydrophobicContact CD1-CD2 3.98Å; L795-Y848 HydrophobicContact CD1-CE1 3.92Å; L795-Y848 HydrophobicContact CD1-CE2 3.64Å; L795-Y848 HydrophobicContact CD1-CG 4.28Å; L795-Y848 HydrophobicContact CG-CE1 4.4Å; L846-Y848 HydrophobicContact CB-CD2 4.08Å; L846-Y848 HydrophobicContact CB-CE2 3.77Å; L846-Y848 HydrophobicContact CD1-CE2 3.96Å
849V97.9Very high75.9Confident38 Ų3860.2 Ų60.223%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-117133.9174.71760000109.9V747 Y793 D794 V796V747-V849 HydrophobicContact CG1-CG2 4.38Å; V747-V849 HydrophobicContact CG2-CG2 4.37Å; Y793-V849 CarbonylContact C-O 3.55Å; Y793-V849 VanDerWaalsContact CA-O 3.29Å; Y793-V849 WeakPolarHBondContact CA-O 3.4Å; D794-V849 PolarHBondContact N-O 3.36Å; D794-V849 PolarHBondContact O-N 3.3Å; V796-V849 HydrophobicContact CB-CG2 4.28Å; V796-V849 HydrophobicContact CG1-CB 3.94Å; V796-V849 HydrophobicContact CG1-CG2 3.61Å; V796-V849 HydrophobicContact CG2-CG2 3.65Å
850R96.8Very high72.8Confident43 Ų4364.6 Ų64.616%0.16237%0.369CS..EExtended strand (participates in β ladder)trans-70.3130.4-179-166.2178.4179.5-175.42.8110.6D746 E789 K790 F791 Y793 K852D746-R850 WeakPolarHBondContact O-CB 3.2Å; D746-R850 PolarHBondContact O-N 2.77Å; E789-R850 IonicContact OE1-CZ 3.68Å; E789-R850 IonicContact OE1-NH1 3.38Å; E789-R850 PolarHBondContact OE1-NH1 3.18Å; E789-R850 IonicContact OE1-NH2 3.23Å; E789-R850 PolarHBondContact OE1-NH2 3.35Å; K790-R850 PolarHBondContact O-NE 3.18Å; K790-R850 VanDerWaalsContact O-NE 3.16Å; K790-R850 PolarHBondContact O-NH2 3.13Å; F791-R850 VanDerWaalsContact CE1-NH2 3.3Å; Y793-R850 HydrophobicContact CD1-CB 3.92Å; Y793-R850 VanDerWaalsContact CD1-N 3.34Å; Y793-R850 HydrophobicContact CE1-CB 3.58Å; Y793-R850 HydrophobicContact CE1-CG 4.14Å; R850-K852 PolarHBondContact O-N 2.85Å
851R93.8Very high69.9Low104 Ų10468.9 Ų68.939%0.39240%0.395SS..PPolyproline II helixtrans-62.6128.9172.1-69.9-172.2-178.3179.21.1110.2I792 D794I792-R851 HydrophobicContact CG2-CG 4.34Å; I792-R851 PolarHBondContact O-N 2.97Å; D794-R851 VanDerWaalsContact CG-NE 3.29Å; D794-R851 IonicContact OD1-CZ 3.72Å; D794-R851 VanDerWaalsContact OD1-CZ 3.29Å; D794-R851 IonicContact OD1-NE 3.78Å; D794-R851 PolarHBondContact OD1-NE 3.14Å; D794-R851 VanDerWaalsContact OD1-NE 3.08Å; D794-R851 IonicContact OD1-NH2 2.68Å; D794-R851 PolarHBondContact OD1-NH2 2.76Å; D794-R851 WeakPolarHBondContact OD2-CG 3.4Å; D794-R851 IonicContact OD2-CZ 2.74Å; D794-R851 IonicContact OD2-NE 3.46Å; D794-R851 PolarHBondContact OD2-NE 3.05Å; D794-R851 IonicContact OD2-NH2 3.36Å
852K81.9Confident67.4Low157 Ų15772.7 Ų72.768%0.68341%0.41SS*.PPolyproline II helixtrans-77.2137.5172.2-68.3-172.3176.5-1760110R850 G854 S855R850-K852 PolarHBondContact O-N 2.85Å; K852-G854 PolarHBondContact O-N 2.87Å; K852-G854 VanDerWaalsContact O-N 3.09Å; K852-S855 PolarHBondContact O-N 3.24Å; K852-S855 VanDerWaalsContact O-N 3.14Å; K852-S855 PolarHBondContact O-OG 3.36Å
853V61.4Low64.5Low147 Ų14778.6 Ų78.689%0.89144%0.439SS*.THydrogen-bonded Turntrans-61.7115.8175.4-177.90000108.3
854G48Very low61.6Low78 Ų7884.4 Ų84.480%0.80448%0.48SS*.THydrogen-bonded Turntrans105-2.1-177.500000116.5K852K852-G854 PolarHBondContact O-N 2.87Å; K852-G854 VanDerWaalsContact O-N 3.09Å
855S37.4Very low58.6Low75 Ų7590.6 Ų90.652%0.52451%0.513SS..  trans-91.6115.3171.755.90000112K852K852-S855 PolarHBondContact O-N 3.24Å; K852-S855 VanDerWaalsContact O-N 3.14Å; K852-S855 PolarHBondContact O-OG 3.36Å
856T30.6Very low55.5Low131 Ų13198 Ų9880%0.80455%0.553SS**  trans-76.4146.4-179.2-35.60000112.2
857Q31.5Very low52.5Low164 Ų164107.4 Ų107.477%0.76660%0.597SS**  trans-12.8119.7179.9-66.6178.6-8.800118.4C859Q857-C859 PolarHBondContact O-N 2.78Å
858I39.5Very low49.2Very low100 Ų100116.3 Ų116.351%0.51364%0.638SS.*  trans-85.5100.4158.6-64.8-177.1000108.1N820N820-I858 WeakPolarHBondContact OD1-CG2 3.46Å
859C34.2Very low46.1Very low72 Ų72124.9 Ų124.949%0.48668%0.678SS.*  trans35.4111169.864.90000120.5N820 Q857N820-C859 PolarHBondContact ND2-SG 3Å; Q857-C859 PolarHBondContact O-N 2.78Å
860N27.7Very low43Very low139 Ų139130.3 Ų130.374%0.74371%0.706SS**  trans-105.9124.2144.2-89.5-1.7000108.3
861T28.5Very low40Very low132 Ų132133.2 Ų133.281%0.8173%0.733SS**  trans-153.471.6166.2-46.50000110.3
862I34.5Very low37.1Very low129 Ų129133.2 Ų133.266%0.66275%0.749SS**  trans-138109.1159.5-58.9-177.1000108
863N29.6Very low34.9Very low140 Ų140130.3 Ų130.375%0.74975%0.749SS**  trans34.3113.5151.4-51-1.6000119.8
864S33.5Very low33.9Very low121 Ų121131.3 Ų131.385%0.84674%0.743SS**  trans-132108.5138.657.60000107.6
865D30.8Very low33.2Very low132 Ų132132.8 Ų132.871%0.70674%0.737SS**  trans-73.6163.1169.4-61.7-61.7000110.5
866D32.2Very low33.2Very low157 Ų157136 Ų13684%0.8475%0.748SS**  trans63121.5172.1-50.8-36.2000116
867E35.5Very low33.6Very low196 Ų196136.9 Ų136.992%0.91674%0.743SS**  cis-150.3171.344-73-178141.900113
868Q30.3Very low33.5Very low188 Ų188135.2 Ų135.288%0.87974%0.739SS**  trans-89.7151.1-175.6-55.9171.8-86.900113.1
869E33.6Very low33.3Very low179 Ų179136.2 Ų136.284%0.83676%0.755SS**  170.1126.4114.8-91.2-178.4178.600112.8
870D31.1Very low33.1Very low153 Ų153140.7 Ų140.782%0.81877%0.774SS**  trans33.7134.6139.5-68.42.6000121.2
871S34.9Very low33.2Very low104 Ų104139.8 Ų139.873%0.72778%0.778SS**  cis-172.3162.832.535.60000113.4
872S33.5Very low33.1Very low104 Ų104141.8 Ų141.873%0.72778%0.784SS**  trans7.3143.6153.158.10000120
873S35.6Very low32.8Very low96 Ų96139.2 Ų139.267%0.67179%0.789SS**  cis178.9164.930.725.20000108.1
874E38.6Very low32.6Very low167 Ų167137.5 Ų137.578%0.7880%0.795SS**  cis-164.3-174.50-116.1170.1124.300110.2
875T34.1Very low32.4Very low110 Ų110140.2 Ų140.268%0.67580%0.799SS**  trans11.2143.6151.261.70000120.8
876D36.8Very low32.1Very low142 Ų142138.5 Ų138.576%0.75980%0.797SS**  cis-166.5-1798.4-118.5-32.7000108.1
877E38.6Very low31.8Very low150 Ų150135.2 Ų135.270%0.70179%0.786SS**  cis-149.9-171.48.8-142-103.390.200109.4
878N31.3Very low31.4Very low128 Ų128133.2 Ų133.268%0.68478%0.777SS**  trans-95.2155.5174-68.4-80.9000113.5
879S34.8Very low31.3Very low121 Ų121135.8 Ų135.885%0.84678%0.78SS**  -175.3139.1123.932.10000114.8
880L28.8Very low31.1Very low166 Ų166132.9 Ų132.987%0.86977%0.769SS**  trans-67151.3-177.5-55.2109.7000114.4
881S29.9Very low30.9Very low120 Ų120130.6 Ų130.684%0.83976%0.761SS**  178.6158.5111.945.20000114
882N26.7Very low30.8Very low174 Ų174134.3 Ų134.393%0.9377%0.767SS**  trans-70.6143.5-172.6-62-48000113.9
883G28.3Very low30.4Very low75 Ų75133 Ų13377%0.77377%0.77SS**  trans-165.6105.8166.500000112
884A26.7Very low30.1Very low105 Ų105134 Ų13487%0.86878%0.775SS**  trans-70.3138.617400000110.9
885L29Very low29.5Very low178 Ų178132.4 Ų132.493%0.93278%0.777SS**  trans-150.9137.8162.6-108.2167.6000112
886S24.2Very low29.4Very low95 Ų95135.6 Ų135.666%0.66478%0.784SS**  trans-83.8153.7-179.11680000111.8
887S26.4Very low29Very low88 Ų88136.6 Ų136.662%0.61579%0.79SS**  trans51.5126.8149.359.90000119.6
888H26.8Very low28.4Very low154 Ų154132.9 Ų132.971%0.71379%0.792SS**  -173.2107.7121.4-93.6-61.2000111.1
889Y27.1Very low28.1Very low243 Ų243137.9 Ų137.995%0.95380%0.801SS**  trans-119.493.8151.6-89-75.9000107.7
890I30.4Very low27.7Very low118 Ų118138.7 Ų138.761%0.60580%0.801SS**  trans-80.9127.9178.4-64.3177.5000108.4E892I890-E892 HydrophobicContact CG2-CG 3.92Å; I890-E892 PolarHBondContact O-N 3.46Å
891T26.8Very low27.7Very low105 Ų105134.5 Ų134.564%0.64480%0.797SS**  trans-80.6105.9162.352.70000109.2K292K292-T891 PolarHBondContact NZ-OG1 2.78Å
892E31.6Very low27.5Very low181 Ų181137 Ų13785%0.84680%0.802SS**  trans-99.7124.7160.1-73.8-166.1158.500109.6I890I890-E892 HydrophobicContact CG2-CG 3.92Å; I890-E892 PolarHBondContact O-N 3.46Å
893G26.8Very low27.7Very low78 Ų78133.5 Ų133.580%0.80480%0.797SS**  trans-98.9150.3166.300000109.6
894C27.7Very low27.6Very low115 Ų115137.7 Ų137.778%0.77780%0.801SS**  trans-122.6102171.4-163.40000110.1
895V26.6Very low27.8Very low135 Ų135138.5 Ų138.582%0.81880%0.8SS**  trans-110.6113.3161.5175.80000106.3
896Q32.2Very low27.6Very low177 Ų177135 Ų13583%0.82779%0.791SS**  trans-132125.1167.8-72.6-163.7-4.300111
897N27.3Very low27.8Very low163 Ų163140.5 Ų140.587%0.87280%0.803SS**  trans-76.5153.6172.6-68.4-57.3000110.9
898G27Very low27.8Very low72 Ų72142.9 Ų142.974%0.74281%0.809SS**  trans16180.6155.200000120.4
899R24.9Very low28Very low232 Ų232143.7 Ų143.788%0.87582%0.818SS**  trans42.9125136.7-80.7-175.9168160-2.8122.5
900T27.2Very low28Very low139 Ų139139.4 Ų139.485%0.85381%0.807SS**  trans68.7126.2133.2600000121.4
901G28.5Very low28.1Very low77 Ų77141.8 Ų141.879%0.79482%0.821SS**  trans169.210515800000114.2
902N25.8Very low28.2Very low174 Ų174144.6 Ų144.693%0.9383%0.826SS**  trans-67.6142.5171.6-76.8-17.8000112
903A31Very low28.4Very low100 Ų100142.9 Ų142.983%0.82682%0.823SS**  trans-159.2138.7140.100000111.4
904N25.4Very low28.8Very low163 Ų163146.2 Ų146.287%0.87282%0.821SS**  trans-81.2146177.6-51.9-53.9000111.5
905S30.2Very low28.8Very low121 Ų121148.3 Ų148.385%0.84682%0.822SS**  trans-158.7117.8130.350.60000111.9
906S25.1Very low29Very low104 Ų104148.5 Ų148.573%0.72782%0.818SS**  trans-66.2142169.649.70000112.3
907F29.4Very low29.4Very low211 Ų211147.9 Ų147.993%0.92582%0.819SS**  trans-142.7122.3139.2-104.4-78000110.4
908N25.2Very low29.7Very low139 Ų139152.7 Ų152.774%0.74384%0.836SS**  trans-72.3145.3165.6-73.5-22.4000109.1
909L31.6Very low29.8Very low171 Ų171156.8 Ų156.890%0.89584%0.841SS**  trans-149.5121.6132.4-107.3157.7000107.7
910Q27.7Very low30Very low153 Ų153152.8 Ų152.872%0.71584%0.839SS**  trans-82.8138169.6-63.5162.2-81.900106.9
911D33Very low30.2Very low168 Ų168153.6 Ų153.690%0.89884%0.838SS**  trans-137.5124.1139.7-98.1-34.2000108
912Q27.7Very low30.3Very low163 Ų163158.1 Ų158.176%0.76284%0.841SS**  trans-91.1140161.5-59.8170.7-9500105.7
913D35.5Very low30.6Very low145 Ų145157.1 Ų157.178%0.77584%0.835SS**  trans-170.9146.5134.5-104.5-21.3000113.7
914L35.2Very low30.6Very low148 Ų148160.9 Ų160.978%0.77584%0.836SS**  trans56.8105.9153.5-57.3163000116.6
915M29.1Very low30.9Very low159 Ų159160.7 Ų160.778%0.78383%0.833SS**  55.8124.450.3-61.8-120.3-6700115.3
916D31.1Very low31Very low139 Ų139163.8 Ų163.874%0.74383%0.833SS**  trans65.1117.7162.9-51.5-25.8000119.5
917I40.7Very low31.5Very low164 Ų164168.8 Ų168.884%0.84184%0.841SS**  -163.7123.1120.4-90.3146.7000108.3
918E31.6Very low31.7Very low265 Ų265164.9 Ų164.9100%1.23883%0.834SS**  trans38.80162.4-59.9-175.2152.500120.8

Retrieved 918 of 918 residues in 176 ms (Link to these results)

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