A0A061I2H1_CRIGR Loading...

Next to BRCA1 gene 1 protein

Ubiquitin-binding autophagy adapter that participates in different processes including host defense or intracellular homeostasis. Possesses a double function during the selective autophagy by acting as a shuttle bringing ubiquitinated proteins to autophagosomes and also by participating in the formation of protein aggregates. Plays a role in the regulation of the innate immune response by modulating type I interferon production and targeting ubiquitinated IRF3 for autophagic degradation. In response to oxidative stress, promotes an increase in SQSTM1 levels, phosphorylation, and body formation by preventing its autophagic degradation. In turn, activates the KEAP1-NRF2/NFE2L2 antioxidant pathway. Also plays non-autophagy role by mediating the shuttle of IL-12 to late endosome for subsequent secretion.

AlphaFold DB , UniProt , Accession A0A061I2H1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nbr1, Length 979 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
1M52.1Low81.1Confident241 Ų24158.3 Ų58.3100%1.18730%0.3SS*.  0139.20-56.6-178.7-16900105.9
2E56.5Low81.3Confident129 Ų12964.9 Ų64.960%0.60333%0.325SS*.  trans-64.1147.4170.7-69107.7-174.400110.5Q4E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.75Å
3P69.7Low81.2Confident60 Ų6072.2 Ų72.239%0.3937%0.366SS..  trans-78.877-17632.9-35.4000111.4P23P3-P23 HydrophobicContact CG-CG 4.42Å; P3-P23 WeakPolarHBondContact O-CD 3.3Å; P3-P23 WeakPolarHBondContact O-CG 3.49Å
4Q81.9Confident81.5Confident88 Ų8876.4 Ų76.441%0.41138%0.383SS..  trans-67.9140.1-179.6-55-176.3-8.200111.9E2 L19 V20 N77E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.75Å; Q4-L19 HydrophobicContact CB-CD1 4.08Å; Q4-V20 WeakPolarHBondContact CA-O 3.39Å; Q4-N77 VanDerWaalsContact O-CB 3.3Å; Q4-N77 WeakPolarHBondContact O-CB 3.38Å; Q4-N77 PolarHBondContact O-ND2 3.48Å
5V87.9Confident82.1Confident0 Ų076.7 Ų76.70%039%0.391CS..EExtended strand (participates in β ladder)trans-129.6133.5177.3175.60000110.7L7 V20 P23 L68 A71 N72 N77V5-L7 HydrophobicContact CG1-CD2 4.1Å; V5-V20 PolarHBondContact N-O 2.94Å; V5-V20 PolarHBondContact O-N 3.39Å; V5-P23 HydrophobicContact CB-CB 4.46Å; V5-P23 HydrophobicContact CG2-CB 4.15Å; V5-P23 HydrophobicContact CG2-CG 3.96Å; V5-L68 HydrophobicContact CB-CD2 4.37Å; V5-L68 HydrophobicContact CG1-CD2 3.94Å; V5-L68 HydrophobicContact CG2-CD2 4.39Å; V5-A71 HydrophobicContact CG1-CB 4.42Å; V5-N72 WeakPolarHBondContact CG2-OD1 3.37Å; V5-N77 CarbonylContact C-O 3.58Å; V5-N77 WeakPolarHBondContact CA-O 3.42Å; V5-N77 HydrophobicContact CG2-CB 4.2Å
6T89.3Confident82.4Confident39 Ų3976.3 Ų76.324%0.23939%0.387CS..EExtended strand (participates in β ladder)trans-98115.5177.6-570000110.8F18 N77 Q78 L79T6-F18 CarbonylContact C-O 3.6Å; T6-F18 WeakPolarHBondContact CA-O 3.34Å; T6-N77 PolarHBondContact N-O 3.26Å; T6-Q78 CarbonylContact O-C 3.6Å; T6-Q78 WeakPolarHBondContact O-CA 3.29Å; T6-L79 PolarHBondContact O-N 3Å
7L90.8Very high82.9Confident0 Ų076.5 Ų76.50%040%0.397CS..EExtended strand (participates in β ladder)trans-88.5108.7174.2-53.3-175000109.4V5 V9 S17 F18 V20 V31 M34 L79 M81V5-L7 HydrophobicContact CG1-CD2 4.1Å; L7-V9 HydrophobicContact CB-CG2 4.14Å; L7-V9 PolarHBondContact O-N 3.33Å; L7-S17 CarbonylContact O-C 3.59Å; L7-S17 WeakPolarHBondContact O-CA 3.45Å; L7-F18 HydrophobicContact CB-CB 4.39Å; L7-F18 PolarHBondContact N-O 2.93Å; L7-F18 PolarHBondContact O-N 3.46Å; L7-V20 HydrophobicContact CD1-CG2 3.65Å; L7-V20 HydrophobicContact CG-CG2 3.88Å; L7-V31 HydrophobicContact CD1-CG1 3.94Å; L7-V31 HydrophobicContact CD1-CG2 4.29Å; L7-M34 HydrophobicContact CD1-CE 4.17Å; L7-L79 HydrophobicContact CD2-CB 3.8Å; L7-L79 HydrophobicContact CD2-CD2 3.97Å; L7-L79 HydrophobicContact CD2-CG 4.42Å; L7-M81 HydrophobicContact CB-SD 4.01Å; L7-M81 HydrophobicContact CD1-SD 4.12Å; L7-M81 HydrophobicContact CD2-SD 4.09Å; L7-M81 HydrophobicContact CG-SD 4.3Å
8N90.8Very high83.2Confident24 Ų2474 Ų7413%0.12838%0.383CS..EExtended strand (participates in β ladder)trans-91.996.3176-69.7-38.4000108.8S17 Q78 L79 M81N8-S17 WeakPolarHBondContact OD1-CB 3.43Å; N8-S17 PolarHBondContact OD1-OG 2.78Å; N8-Q78 PolarHBondContact ND2-OE1 2.74Å; N8-L79 PolarHBondContact N-O 2.87Å; N8-M81 PolarHBondContact O-N 3.42Å
9V92.4Very high83.4Confident0 Ų075.4 Ų75.40%039%0.39CS..EExtended strand (participates in β ladder)trans-102.7121-170.1-175.20000110.5L7 T15 Q16 F18 V35 F39 M81 V83L7-V9 HydrophobicContact CB-CG2 4.14Å; L7-V9 PolarHBondContact O-N 3.33Å; V9-T15 WeakPolarHBondContact O-CA 3.13Å; V9-Q16 PolarHBondContact N-O 3.48Å; V9-Q16 PolarHBondContact O-N 3.04Å; V9-F18 HydrophobicContact CB-CD2 4.26Å; V9-F18 HydrophobicContact CB-CE2 3.95Å; V9-F18 HydrophobicContact CG2-CD2 3.74Å; V9-F18 HydrophobicContact CG2-CE2 3.89Å; V9-V35 HydrophobicContact CG1-CG1 4.08Å; V9-V35 HydrophobicContact CG1-CG2 4.08Å; V9-V35 HydrophobicContact CG2-CG2 4.24Å; V9-F39 HydrophobicContact CB-CE2 4.33Å; V9-F39 HydrophobicContact CG1-CE2 3.76Å; V9-F39 HydrophobicContact CG1-CZ 4.33Å; V9-M81 CarbonylContact C-O 3.58Å; V9-M81 WeakPolarHBondContact CA-O 3.46Å; V9-M81 HydrophobicContact CG2-CB 4.21Å; V9-M81 HydrophobicContact CG2-SD 4.02Å; V9-V83 HydrophobicContact CG1-CG2 3.23Å
10T90.6Very high83.6Confident44 Ų4472.2 Ų72.227%0.2737%0.374SS..EExtended strand (participates in β ladder)trans-111.8128.1-177.4-55.70000112.3E14 T15 M81 Q82 V83T10-E14 CarbonylContact C-O 3.56Å; T10-E14 VanDerWaalsContact CA-O 3.31Å; T10-E14 WeakPolarHBondContact CA-O 3.32Å; T10-T15 WeakPolarHBondContact CG2-OG1 3.24Å; T10-T15 WeakPolarHBondContact OG1-CG2 3.2Å; T10-T15 PolarHBondContact OG1-OG1 3.41Å; T10-M81 PolarHBondContact N-O 3.15Å; T10-Q82 WeakPolarHBondContact O-CA 3.32Å; T10-V83 PolarHBondContact O-N 2.98Å
11F90.6Very high83.3Confident16 Ų1671.3 Ų71.37%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-134.9127175.3-179.5-118.6000110.2N13 E14 F39 L41 V83 E85F11-N13 PolarHBondContact O-N 3.07Å; F11-E14 PolarHBondContact N-O 3.13Å; F11-E14 PolarHBondContact O-N 3.2Å; F11-F39 HydrophobicContact CB-CD1 3.74Å; F11-F39 HydrophobicContact CB-CE1 3.69Å; F11-F39 HydrophobicContact CB-CG 4.18Å; F11-F39 HydrophobicContact CB-CZ 4.09Å; F11-F39 HydrophobicContact CD1-CB 4.18Å; F11-F39 AromaticContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CG 4.21Å; F11-F39 HydrophobicContact CG-CD1 4.18Å; F11-F39 HydrophobicContact CG-CG 4.44Å; F11-L41 HydrophobicContact CD1-CD1 4.16Å; F11-L41 HydrophobicContact CD2-CD1 4.01Å; F11-L41 HydrophobicContact CE1-CD1 3.79Å; F11-L41 HydrophobicContact CE1-CD2 3.77Å; F11-L41 HydrophobicContact CE1-CG 4.26Å; F11-L41 HydrophobicContact CE2-CD1 3.63Å; F11-L41 HydrophobicContact CE2-CD2 4.46Å; F11-L41 HydrophobicContact CG-CD1 4.25Å; F11-L41 HydrophobicContact CZ-CD1 3.48Å; F11-L41 VanDerWaalsContact CZ-CD1 3.48Å; F11-L41 HydrophobicContact CZ-CD2 3.56Å; F11-L41 HydrophobicContact CZ-CG 4.14Å; F11-V83 HydrophobicContact CB-CB 4.09Å; F11-V83 HydrophobicContact CB-CG2 4.47Å; F11-V83 HydrophobicContact CD2-CB 3.88Å; F11-V83 HydrophobicContact CD2-CG1 4.13Å; F11-V83 WeakPolarHBondContact CD2-O 3.27Å; F11-V83 HydrophobicContact CG-CB 4.37Å; F11-E85 HydrophobicContact CE2-CB 4.06Å; F11-E85 HydrophobicContact CZ-CB 4.18Å
12K82.6Confident84.6Confident138 Ų13863.5 Ų63.560%0.634%0.337SS*.THydrogen-bonded Turntrans47.637.3176.6-63.7177.9-178.6163.90114.9E14 E85K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E85 WeakPolarHBondContact CE-OE2 3.48Å; K12-E85 IonicContact NZ-OE2 3.55Å; K12-E85 PolarHBondContact NZ-OE2 3.26Å
13N80.8Confident85.6Confident160 Ų16057.8 Ų57.886%0.85631%0.311SS*.THydrogen-bonded Turntrans74.31.4-175.2-52-18.1000116.5F11F11-N13 PolarHBondContact O-N 3.07Å
14E85.3Confident85.8Confident130 Ų13063.1 Ų63.161%0.60733%0.331SS*.EExtended strand (participates in β ladder)trans-89.8133.8166.6-62.1-177.8176.300109.4T10 F11 K12T10-E14 CarbonylContact C-O 3.56Å; T10-E14 VanDerWaalsContact CA-O 3.31Å; T10-E14 WeakPolarHBondContact CA-O 3.32Å; F11-E14 PolarHBondContact N-O 3.13Å; F11-E14 PolarHBondContact O-N 3.2Å; K12-E14 VanDerWaalsContact C-N 3.32Å
15T89.5Confident85.7Confident82 Ų8265.1 Ų65.150%0.50334%0.344SS..EExtended strand (participates in β ladder)trans-120131.2178-56.90000110.1V9 T10V9-T15 WeakPolarHBondContact O-CA 3.13Å; T10-T15 WeakPolarHBondContact CG2-OG1 3.24Å; T10-T15 WeakPolarHBondContact OG1-CG2 3.2Å; T10-T15 PolarHBondContact OG1-OG1 3.41Å
16Q88Confident85.6Confident69 Ų6966.8 Ų66.832%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-122.7138.1175.1-61.4-174.72500109.5V9 F18 S38 F39V9-Q16 PolarHBondContact N-O 3.48Å; V9-Q16 PolarHBondContact O-N 3.04Å; Q16-F18 HydrophobicContact CB-CE2 3.67Å; Q16-F18 HydrophobicContact CB-CZ 3.73Å; Q16-S38 PolarHBondContact NE2-O 2.74Å; Q16-F39 HydrophobicContact CB-CZ 3.99Å; Q16-F39 HydrophobicContact CG-CE1 3.99Å; Q16-F39 HydrophobicContact CG-CZ 3.75Å
17S89.7Confident85.5Confident81 Ų8167.7 Ų67.757%0.56636%0.36SS*.EExtended strand (participates in β ladder)trans-107.1123.4-179.8-60.30000110.5L7 N8L7-S17 CarbonylContact O-C 3.59Å; L7-S17 WeakPolarHBondContact O-CA 3.45Å; N8-S17 WeakPolarHBondContact OD1-CB 3.43Å; N8-S17 PolarHBondContact OD1-OG 2.78Å
18F88.8Confident85.5Confident31 Ų3168.8 Ų68.814%0.13637%0.365CS..EExtended strand (participates in β ladder)trans-113.1128.7179.8-55.7-88.2000110.6T6 L7 V9 Q16 M34 S38T6-F18 CarbonylContact C-O 3.6Å; T6-F18 WeakPolarHBondContact CA-O 3.34Å; L7-F18 HydrophobicContact CB-CB 4.39Å; L7-F18 PolarHBondContact N-O 2.93Å; L7-F18 PolarHBondContact O-N 3.46Å; V9-F18 HydrophobicContact CB-CD2 4.26Å; V9-F18 HydrophobicContact CB-CE2 3.95Å; V9-F18 HydrophobicContact CG2-CD2 3.74Å; V9-F18 HydrophobicContact CG2-CE2 3.89Å; Q16-F18 HydrophobicContact CB-CE2 3.67Å; Q16-F18 HydrophobicContact CB-CZ 3.73Å; F18-M34 HydrophobicContact CB-CE 3.62Å; F18-M34 HydrophobicContact CB-SD 3.81Å; F18-M34 HydrophobicContact CD1-CE 3.9Å; F18-M34 HydrophobicContact CD1-CG 4.04Å; F18-M34 HydrophobicContact CD1-SD 3.58Å; F18-M34 VanDerWaalsContact CD1-SD 3.58Å; F18-M34 HydrophobicContact CD2-CE 3.84Å; F18-M34 HydrophobicContact CE1-CG 4.23Å; F18-M34 HydrophobicContact CE1-SD 4.34Å; F18-M34 HydrophobicContact CG-CE 3.49Å; F18-M34 VanDerWaalsContact CG-CE 3.49Å; F18-M34 HydrophobicContact CG-SD 3.74Å; F18-S38 VanDerWaalsContact CE1-OG 3.26Å; F18-S38 WeakPolarHBondContact CE1-OG 3.26Å; F18-S38 VanDerWaalsContact CZ-CB 3.47Å; F18-S38 WeakPolarHBondContact CZ-OG 3.48Å
19L87.4Confident85.4Confident101 Ų10170.5 Ų70.553%0.52938%0.382SS..EExtended strand (participates in β ladder)trans-91.6112.2176.5-172.867.1000110.1Q4Q4-L19 HydrophobicContact CB-CD1 4.08Å
20V87.5Confident85.3Confident11 Ų1174.7 Ų74.77%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-93.8113.4173-179.70000108.1Q4 V5 L7 P23 T26Q4-V20 WeakPolarHBondContact CA-O 3.39Å; V5-V20 PolarHBondContact N-O 2.94Å; V5-V20 PolarHBondContact O-N 3.39Å; L7-V20 HydrophobicContact CD1-CG2 3.65Å; L7-V20 HydrophobicContact CG-CG2 3.88Å; V20-P23 HydrophobicContact CG1-CB 4.13Å; V20-T26 HydrophobicContact CG1-CG2 4.19Å; V20-T26 WeakPolarHBondContact CG1-OG1 3.46Å
21S77.2Confident85.2Confident53 Ų5372.7 Ų72.737%0.37139%0.392SS..SBendtrans-78.7-37.1-176.6-59.10000112.8P23S21-P23 WeakPolarHBondContact O-CD 3.31Å
22D80.3Confident85.2Confident78 Ų7874.5 Ų74.542%0.41740%0.401SS..  trans-121.376.6179.3-68.7-62.2000110.6E24 N25 T26D22-E24 PolarHBondContact O-N 3.14Å; D22-N25 HydrophobicContact CB-CB 4.14Å; D22-N25 PolarHBondContact O-N 2.96Å; D22-N25 VanDerWaalsContact O-N 3.16Å; D22-T26 WeakPolarHBondContact O-CB 3.19Å; D22-T26 PolarHBondContact O-N 3.49Å; D22-T26 PolarHBondContact O-OG1 3.29Å
23P76.2Confident85.5Confident8 Ų870.3 Ų70.35%0.05239%0.392CS..THydrogen-bonded Turntrans-65.4-21.4-177.328.9-37.7000113.5P3 V5 V20 S21 L68P3-P23 HydrophobicContact CG-CG 4.42Å; P3-P23 WeakPolarHBondContact O-CD 3.3Å; P3-P23 WeakPolarHBondContact O-CG 3.49Å; V5-P23 HydrophobicContact CB-CB 4.46Å; V5-P23 HydrophobicContact CG2-CB 4.15Å; V5-P23 HydrophobicContact CG2-CG 3.96Å; V20-P23 HydrophobicContact CG1-CB 4.13Å; S21-P23 WeakPolarHBondContact O-CD 3.31Å; P23-L68 HydrophobicContact CB-CD1 3.9Å; P23-L68 HydrophobicContact CB-CD2 3.89Å; P23-L68 WeakPolarHBondContact O-CD1 3.08Å
24E74.4Confident85.9Confident172 Ų17265.2 Ų65.280%0.80436%0.363SS*.THydrogen-bonded Turntrans-79.7-22176.9-59.2-172.7165.400113.1D22D22-E24 PolarHBondContact O-N 3.14Å
25N78.8Confident86.2Confident130 Ų13059 Ų5970%0.69533%0.334SS*.THydrogen-bonded Turntrans-103.7-17.1177.6-69.1-57.5000113.3D22 T27D22-N25 HydrophobicContact CB-CB 4.14Å; D22-N25 PolarHBondContact O-N 2.96Å; D22-N25 VanDerWaalsContact O-N 3.16Å; N25-T27 PolarHBondContact O-N 3.21Å
26T87.1Confident86.2Confident35 Ų3557.9 Ų57.922%0.21532%0.322CS..  trans-77119.3178.6-56.60000109.2V20 D22 D30 V31V20-T26 HydrophobicContact CG1-CG2 4.19Å; V20-T26 WeakPolarHBondContact CG1-OG1 3.46Å; D22-T26 WeakPolarHBondContact O-CB 3.19Å; D22-T26 PolarHBondContact O-N 3.49Å; D22-T26 PolarHBondContact O-OG1 3.29Å; T26-D30 HydrophobicContact CG2-CB 4.17Å; T26-V31 HydrophobicContact CG2-CG2 3.82Å
27T87.4Confident86.2Confident58 Ų5859.9 Ų59.936%0.35634%0.339SS..  trans-83.1158.2-178.877.90000111.6N25 A29 D30 V31N25-T27 PolarHBondContact O-N 3.21Å; T27-A29 PolarHBondContact O-N 3.27Å; T27-A29 PolarHBondContact OG1-N 3.47Å; T27-D30 VanDerWaalsContact CB-OD2 3.28Å; T27-D30 WeakPolarHBondContact CB-OD2 3.39Å; T27-D30 PolarHBondContact N-OD2 3.24Å; T27-D30 WeakPolarHBondContact O-CB 3.48Å; T27-D30 PolarHBondContact O-N 2.54Å; T27-D30 VanDerWaalsContact OG1-CG 3.3Å; T27-D30 PolarHBondContact OG1-N 3.38Å; T27-D30 PolarHBondContact OG1-OD2 3.06Å; T27-V31 PolarHBondContact O-N 3.32Å
28W90.3Very high86.1Confident24 Ų2457.8 Ų57.89%0.09133%0.325CS..Hα-helixtrans-52.1-37.7171.2172.6-115.1000112.9D30 V31 E32 I46 I58 Q61 Y64 M81W28-D30 VanDerWaalsContact C-N 3.32Å; W28-D30 PolarHBondContact O-N 3.12Å; W28-V31 HydrophobicContact CE3-CB 4.33Å; W28-V31 HydrophobicContact CZ3-CB 4.44Å; W28-V31 HydrophobicContact CZ3-CG1 4.15Å; W28-V31 PolarHBondContact O-N 3.15Å; W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 WeakPolarHBondContact O-CB 3.37Å; W28-E32 PolarHBondContact O-N 2.92Å; W28-I46 HydrophobicContact CH2-CB 3.94Å; W28-I46 HydrophobicContact CH2-CD1 3.53Å; W28-I46 HydrophobicContact CH2-CG1 4.27Å; W28-I46 HydrophobicContact CH2-CG2 4.35Å; W28-I46 HydrophobicContact CZ2-CD1 4.2Å; W28-I46 HydrophobicContact CZ3-CD1 4.3Å; W28-I58 HydrophobicContact CD2-CG2 3.79Å; W28-I58 HydrophobicContact CE3-CB 4.46Å; W28-I58 HydrophobicContact CE3-CG2 3.6Å; W28-I58 HydrophobicContact CH2-CB 3.61Å; W28-I58 HydrophobicContact CH2-CD1 4.35Å; W28-I58 HydrophobicContact CH2-CG2 3.63Å; W28-I58 HydrophobicContact CZ2-CB 3.98Å; W28-I58 HydrophobicContact CZ2-CG2 3.82Å; W28-I58 WeakPolarHBondContact CZ2-O 3.33Å; W28-I58 HydrophobicContact CZ3-CB 3.89Å; W28-I58 HydrophobicContact CZ3-CD1 3.97Å; W28-I58 HydrophobicContact CZ3-CG2 3.53Å; W28-Q61 HydrophobicContact CB-CB 4.47Å; W28-Y64 AromaticContact CE3-CD2 3.88Å; W28-Y64 HydrophobicContact CE3-CD2 3.88Å; W28-Y64 AromaticContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CZ3-CD2 4.21Å; W28-M81 HydrophobicContact CZ3-CE 4.31Å
29A88.9Confident86Confident60 Ų6057.4 Ų57.450%0.49632%0.323SS..Hα-helixtrans-67-32.1178.700000112.7T27 A33T27-A29 PolarHBondContact O-N 3.27Å; T27-A29 PolarHBondContact OG1-N 3.47Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.75Å
30D89.7Confident85.9Confident88 Ų8859.8 Ų59.847%0.47134%0.336SS..Hα-helixtrans-71.3-40.3175.7-55.3-58.8000110.9T26 T27 W28 A33 M34T26-D30 HydrophobicContact CG2-CB 4.17Å; T27-D30 VanDerWaalsContact CB-OD2 3.28Å; T27-D30 WeakPolarHBondContact CB-OD2 3.39Å; T27-D30 PolarHBondContact N-OD2 3.24Å; T27-D30 WeakPolarHBondContact O-CB 3.48Å; T27-D30 PolarHBondContact O-N 2.54Å; T27-D30 VanDerWaalsContact OG1-CG 3.3Å; T27-D30 PolarHBondContact OG1-N 3.38Å; T27-D30 PolarHBondContact OG1-OD2 3.06Å; W28-D30 VanDerWaalsContact C-N 3.32Å; W28-D30 PolarHBondContact O-N 3.12Å; D30-A33 PolarHBondContact O-N 3.22Å; D30-M34 VanDerWaalsContact O-CB 3.28Å; D30-M34 WeakPolarHBondContact O-CB 3.38Å; D30-M34 PolarHBondContact O-N 2.84Å
31V89.3Confident85.8Confident1 Ų160 Ų601%0.00634%0.337CS..Hα-helixtrans-66.4-44.7174.3179.80000111.3L7 T26 T27 W28 A33 M34 V35 Y64 M81L7-V31 HydrophobicContact CD1-CG1 3.94Å; L7-V31 HydrophobicContact CD1-CG2 4.29Å; T26-V31 HydrophobicContact CG2-CG2 3.82Å; T27-V31 PolarHBondContact O-N 3.32Å; W28-V31 HydrophobicContact CE3-CB 4.33Å; W28-V31 HydrophobicContact CZ3-CB 4.44Å; W28-V31 HydrophobicContact CZ3-CG1 4.15Å; W28-V31 PolarHBondContact O-N 3.15Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; V31-M34 HydrophobicContact CG1-CE 4.42Å; V31-M34 PolarHBondContact O-N 2.8Å; V31-V35 HydrophobicContact CG1-CG2 4.48Å; V31-V35 WeakPolarHBondContact O-CG2 3.4Å; V31-V35 PolarHBondContact O-N 3.3Å; V31-Y64 HydrophobicContact CG1-CE2 4.46Å; V31-Y64 HydrophobicContact CG2-CE1 4.19Å; V31-Y64 HydrophobicContact CG2-CE2 3.93Å; V31-M81 HydrophobicContact CG1-CE 4.42Å
32E89.9Confident85.7Confident54 Ų5464.4 Ų64.425%0.25236%0.357SS..Hα-helixtrans-60.7-44.1175.8-164.1-166155.600110.7W28 V35 K36 I44W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 WeakPolarHBondContact O-CB 3.37Å; W28-E32 PolarHBondContact O-N 2.92Å; E32-V35 PolarHBondContact O-N 2.89Å; E32-K36 WeakPolarHBondContact O-CB 3.44Å; E32-K36 VanDerWaalsContact O-CG 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.39Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 2.69Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; E32-I44 HydrophobicContact CG-CD1 4.04Å; E32-I44 HydrophobicContact CG-CG1 4.17Å
33A88.3Confident85.9Confident50 Ų5063.3 Ų63.341%0.41335%0.353SS..Hα-helixtrans-64.3-42.717600000112.7A29 D30 V31 K36 V37A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.75Å; D30-A33 PolarHBondContact O-N 3.22Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; A33-K36 PolarHBondContact O-N 2.84Å; A33-V37 WeakPolarHBondContact O-CG2 3.2Å; A33-V37 PolarHBondContact O-N 2.81Å
34M90.8Very high86.5Confident53 Ų5364.1 Ų64.126%0.26136%0.356SS..Hα-helixtrans-59.1-48.4175.8-179.7-172.172.500111.3L7 F18 D30 V31 V37 S38L7-M34 HydrophobicContact CD1-CE 4.17Å; F18-M34 HydrophobicContact CB-CE 3.62Å; F18-M34 HydrophobicContact CB-SD 3.81Å; F18-M34 HydrophobicContact CD1-CE 3.9Å; F18-M34 HydrophobicContact CD1-CG 4.04Å; F18-M34 HydrophobicContact CD1-SD 3.58Å; F18-M34 VanDerWaalsContact CD1-SD 3.58Å; F18-M34 HydrophobicContact CD2-CE 3.84Å; F18-M34 HydrophobicContact CE1-CG 4.23Å; F18-M34 HydrophobicContact CE1-SD 4.34Å; F18-M34 HydrophobicContact CG-CE 3.49Å; F18-M34 VanDerWaalsContact CG-CE 3.49Å; F18-M34 HydrophobicContact CG-SD 3.74Å; D30-M34 VanDerWaalsContact O-CB 3.28Å; D30-M34 WeakPolarHBondContact O-CB 3.38Å; D30-M34 PolarHBondContact O-N 2.84Å; V31-M34 HydrophobicContact CG1-CE 4.42Å; V31-M34 PolarHBondContact O-N 2.8Å; M34-V37 PolarHBondContact O-N 3.11Å; M34-S38 WeakPolarHBondContact O-CB 3.25Å; M34-S38 PolarHBondContact O-N 3.12Å; M34-S38 PolarHBondContact O-OG 3.32Å
35V90.1Very high87.2Confident0 Ų060.7 Ų60.70%034%0.34CS..Hα-helixtrans-66.5-39179.1174.60000111.3V9 V31 E32 S38 F39 I44 I46 V83V9-V35 HydrophobicContact CG1-CG1 4.08Å; V9-V35 HydrophobicContact CG1-CG2 4.08Å; V9-V35 HydrophobicContact CG2-CG2 4.24Å; V31-V35 HydrophobicContact CG1-CG2 4.48Å; V31-V35 WeakPolarHBondContact O-CG2 3.4Å; V31-V35 PolarHBondContact O-N 3.3Å; E32-V35 PolarHBondContact O-N 2.89Å; V35-S38 PolarHBondContact O-N 3.5Å; V35-F39 HydrophobicContact CG1-CD2 4.07Å; V35-F39 HydrophobicContact CG1-CE2 4.4Å; V35-F39 WeakPolarHBondContact O-CD2 3.08Å; V35-F39 PolarHBondContact O-N 3.08Å; V35-I44 HydrophobicContact CB-CD1 3.95Å; V35-I44 HydrophobicContact CG1-CD1 3.65Å; V35-I46 HydrophobicContact CB-CD1 4.1Å; V35-I46 HydrophobicContact CG1-CD1 4.09Å; V35-I46 HydrophobicContact CG1-CG1 4.4Å; V35-I46 HydrophobicContact CG2-CD1 4.17Å; V35-V83 HydrophobicContact CG1-CG1 4.04Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å
36K89.4Confident87.9Confident58 Ų5854.6 Ų54.625%0.25231%0.308SS..Hα-helixtrans-58.8-47.2173.1-78-178.3-176.3169.70112.4E32 A33 D40 L41 N42 I44E32-K36 WeakPolarHBondContact O-CB 3.44Å; E32-K36 VanDerWaalsContact O-CG 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.39Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 2.69Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; A33-K36 PolarHBondContact O-N 2.84Å; K36-D40 CarbonylContact O-C 3.59Å; K36-D40 WeakPolarHBondContact O-CA 3.35Å; K36-D40 PolarHBondContact O-N 3.06Å; K36-D40 VanDerWaalsContact O-N 3.14Å; K36-L41 WeakPolarHBondContact CA-O 3.49Å; K36-L41 WeakPolarHBondContact CB-O 3.36Å; K36-L41 WeakPolarHBondContact CG-O 3.21Å; K36-L41 PolarHBondContact O-N 3.5Å; K36-N42 WeakPolarHBondContact CE-O 3.49Å; K36-I44 HydrophobicContact CG-CD1 3.7Å; K36-I44 HydrophobicContact CG-CG1 4Å; K36-I44 HydrophobicContact CG-CG2 4.33Å
37V88.7Confident88.1Confident111 Ų11155 Ų5567%0.67331%0.306SS*.Hα-helixtrans-68.8-36.9179.5171.60000112A33 M34 F39A33-V37 WeakPolarHBondContact O-CG2 3.2Å; A33-V37 PolarHBondContact O-N 2.81Å; M34-V37 PolarHBondContact O-N 3.11Å; V37-F39 VanDerWaalsContact C-N 3.32Å; V37-F39 PolarHBondContact O-N 2.68Å
38S87.5Confident88.3Confident38 Ų3852.8 Ų52.827%0.26629%0.292SS..Hα-helixtrans-79.1-12.8-173.1-52.20000114.8Q16 F18 M34 V35Q16-S38 PolarHBondContact NE2-O 2.74Å; F18-S38 VanDerWaalsContact CE1-OG 3.26Å; F18-S38 WeakPolarHBondContact CE1-OG 3.26Å; F18-S38 VanDerWaalsContact CZ-CB 3.47Å; F18-S38 WeakPolarHBondContact CZ-OG 3.48Å; M34-S38 WeakPolarHBondContact O-CB 3.25Å; M34-S38 PolarHBondContact O-N 3.12Å; M34-S38 PolarHBondContact O-OG 3.32Å; V35-S38 PolarHBondContact O-N 3.5Å
39F86.8Confident88.1Confident22 Ų2254.4 Ų54.410%0.09630%0.302CS..THydrogen-bonded Turntrans-123.69.9175.4-65.3-80.6000113.1V9 F11 Q16 V35 V37 L41V9-F39 HydrophobicContact CB-CE2 4.33Å; V9-F39 HydrophobicContact CG1-CE2 3.76Å; V9-F39 HydrophobicContact CG1-CZ 4.33Å; F11-F39 HydrophobicContact CB-CD1 3.74Å; F11-F39 HydrophobicContact CB-CE1 3.69Å; F11-F39 HydrophobicContact CB-CG 4.18Å; F11-F39 HydrophobicContact CB-CZ 4.09Å; F11-F39 HydrophobicContact CD1-CB 4.18Å; F11-F39 AromaticContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CG 4.21Å; F11-F39 HydrophobicContact CG-CD1 4.18Å; F11-F39 HydrophobicContact CG-CG 4.44Å; Q16-F39 HydrophobicContact CB-CZ 3.99Å; Q16-F39 HydrophobicContact CG-CE1 3.99Å; Q16-F39 HydrophobicContact CG-CZ 3.75Å; V35-F39 HydrophobicContact CG1-CD2 4.07Å; V35-F39 HydrophobicContact CG1-CE2 4.4Å; V35-F39 WeakPolarHBondContact O-CD2 3.08Å; V35-F39 PolarHBondContact O-N 3.08Å; V37-F39 VanDerWaalsContact C-N 3.32Å; V37-F39 PolarHBondContact O-N 2.68Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 HydrophobicContact CB-CD1 3.78Å; F39-L41 HydrophobicContact CB-CG 3.79Å; F39-L41 WeakPolarHBondContact O-CD2 3.19Å; F39-L41 WeakPolarHBondContact O-CG 3.46Å; F39-L41 PolarHBondContact O-N 2.76Å
40D84.8Confident87.9Confident151 Ų15153.1 Ų53.181%0.80729%0.287SS*.THydrogen-bonded Turntrans52.741.2-175.8-75.4-48.8000114.6K36K36-D40 CarbonylContact O-C 3.59Å; K36-D40 WeakPolarHBondContact O-CA 3.35Å; K36-D40 PolarHBondContact O-N 3.06Å; K36-D40 VanDerWaalsContact O-N 3.14Å
41L85.4Confident87.4Confident15 Ų1554.3 Ų54.38%0.07929%0.289CS..  trans-106.6128.8-175.2-54.7178.2000112.5F11 K36 F39 I44 V83F11-L41 HydrophobicContact CD1-CD1 4.16Å; F11-L41 HydrophobicContact CD2-CD1 4.01Å; F11-L41 HydrophobicContact CE1-CD1 3.79Å; F11-L41 HydrophobicContact CE1-CD2 3.77Å; F11-L41 HydrophobicContact CE1-CG 4.26Å; F11-L41 HydrophobicContact CE2-CD1 3.63Å; F11-L41 HydrophobicContact CE2-CD2 4.46Å; F11-L41 HydrophobicContact CG-CD1 4.25Å; F11-L41 HydrophobicContact CZ-CD1 3.48Å; F11-L41 VanDerWaalsContact CZ-CD1 3.48Å; F11-L41 HydrophobicContact CZ-CD2 3.56Å; F11-L41 HydrophobicContact CZ-CG 4.14Å; K36-L41 WeakPolarHBondContact CA-O 3.49Å; K36-L41 WeakPolarHBondContact CB-O 3.36Å; K36-L41 WeakPolarHBondContact CG-O 3.21Å; K36-L41 PolarHBondContact O-N 3.5Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 HydrophobicContact CB-CD1 3.78Å; F39-L41 HydrophobicContact CB-CG 3.79Å; F39-L41 WeakPolarHBondContact O-CD2 3.19Å; F39-L41 WeakPolarHBondContact O-CG 3.46Å; F39-L41 PolarHBondContact O-N 2.76Å; L41-I44 HydrophobicContact CB-CG2 3.4Å; L41-I44 HydrophobicContact CD1-CG2 3.49Å; L41-I44 VanDerWaalsContact CD1-CG2 3.49Å; L41-I44 HydrophobicContact CG-CG2 4.08Å; L41-V83 HydrophobicContact CD1-CG1 4.04Å
42N76.5Confident87Confident147 Ų14758.8 Ų58.879%0.78631%0.31SS*.SBendtrans-78.5-37.1176.4-66.2-61.4000112.8K36K36-N42 WeakPolarHBondContact CE-O 3.49Å
43T83.1Confident86.4Confident55 Ų5562.3 Ų62.334%0.33733%0.331SS..SBendtrans-137122.1-171.3350000109G86 H88T43-G86 VanDerWaalsContact CB-O 3.22Å; T43-G86 WeakPolarHBondContact CB-O 3.46Å; T43-G86 PolarHBondContact O-N 3.14Å; T43-G86 PolarHBondContact OG1-O 3.01Å; T43-H88 HydrophobicContact CG2-CB 4.22Å
44I89.4Confident86.2Confident25 Ų2566 Ų6613%0.12834%0.339CS..EExtended strand (participates in β ladder)trans-136.3152.4-174.562.7176.8000111.4E32 V35 K36 L41 I46 V83 H84E32-I44 HydrophobicContact CG-CD1 4.04Å; E32-I44 HydrophobicContact CG-CG1 4.17Å; V35-I44 HydrophobicContact CB-CD1 3.95Å; V35-I44 HydrophobicContact CG1-CD1 3.65Å; K36-I44 HydrophobicContact CG-CD1 3.7Å; K36-I44 HydrophobicContact CG-CG1 4Å; K36-I44 HydrophobicContact CG-CG2 4.33Å; L41-I44 HydrophobicContact CB-CG2 3.4Å; L41-I44 HydrophobicContact CD1-CG2 3.49Å; L41-I44 VanDerWaalsContact CD1-CG2 3.49Å; L41-I44 HydrophobicContact CG-CG2 4.08Å; I44-I46 HydrophobicContact CD1-CD1 3.58Å; I44-I46 HydrophobicContact CD1-CG1 3.83Å; I44-I46 HydrophobicContact CG1-CD1 4.41Å; I44-I46 HydrophobicContact CG1-CG1 4.32Å; I44-V83 HydrophobicContact CB-CG1 3.88Å; I44-V83 HydrophobicContact CD1-CG1 4.4Å; I44-V83 HydrophobicContact CG2-CG1 3.88Å; I44-H84 CarbonylContact C-O 3.58Å; I44-H84 WeakPolarHBondContact CA-O 3.37Å
45Q89.8Confident85.9Confident99 Ų9968.2 Ų68.246%0.46335%0.349SS..EExtended strand (participates in β ladder)trans-120.5119161.8-176.5-177.827.400107.7H84Q45-H84 HydrophobicContact CB-CB 4.41Å; Q45-H84 PolarHBondContact N-O 3.29Å; Q45-H84 PolarHBondContact O-N 3.29Å
46I92.3Very high85.8Confident2 Ų270.5 Ų70.51%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-100.3139.1178.1-59162.7000108.5W28 V35 I44 S57 I58 M81 Q82 V83W28-I46 HydrophobicContact CH2-CB 3.94Å; W28-I46 HydrophobicContact CH2-CD1 3.53Å; W28-I46 HydrophobicContact CH2-CG1 4.27Å; W28-I46 HydrophobicContact CH2-CG2 4.35Å; W28-I46 HydrophobicContact CZ2-CD1 4.2Å; W28-I46 HydrophobicContact CZ3-CD1 4.3Å; V35-I46 HydrophobicContact CB-CD1 4.1Å; V35-I46 HydrophobicContact CG1-CD1 4.09Å; V35-I46 HydrophobicContact CG1-CG1 4.4Å; V35-I46 HydrophobicContact CG2-CD1 4.17Å; I44-I46 HydrophobicContact CD1-CD1 3.58Å; I44-I46 HydrophobicContact CD1-CG1 3.83Å; I44-I46 HydrophobicContact CG1-CD1 4.41Å; I44-I46 HydrophobicContact CG1-CG1 4.32Å; I46-S57 WeakPolarHBondContact O-CA 3.4Å; I46-I58 PolarHBondContact O-N 2.87Å; I46-M81 HydrophobicContact CG2-CB 4.1Å; I46-M81 HydrophobicContact CG2-CE 3.87Å; I46-Q82 WeakPolarHBondContact CA-O 3.43Å; I46-V83 HydrophobicContact CG1-CG1 4.36Å; I46-V83 HydrophobicContact CG1-CG2 4.4Å
47K91.9Very high85.8Confident43 Ų4369.7 Ų69.719%0.18737%0.365CS..EExtended strand (participates in β ladder)trans-121.2162.6169.1-48.2-171.5-163.9172.50110.6E55 V56 M81 Q82K47-E55 HydrophobicContact CD-CB 3.81Å; K47-E55 HydrophobicContact CD-CG 4.44Å; K47-E55 WeakPolarHBondContact CD-OE2 3.49Å; K47-E55 WeakPolarHBondContact CE-OE2 3.33Å; K47-E55 IonicContact NZ-OE2 3.86Å; K47-E55 PolarHBondContact NZ-OE2 2.97Å; K47-V56 CarbonylContact C-O 3.59Å; K47-V56 WeakPolarHBondContact CA-O 3.41Å; K47-V56 WeakPolarHBondContact CB-O 3.41Å; K47-M81 CarbonylContact O-C 3.58Å; K47-M81 WeakPolarHBondContact O-CA 3.5Å; K47-Q82 PolarHBondContact N-O 3.46Å; K47-Q82 PolarHBondContact O-N 2.87Å
48Y91.6Very high85.9Confident13 Ų1364.8 Ų64.85%0.05133%0.334CS..EExtended strand (participates in β ladder)trans-129.8165.3166.373.7-76.7000110.2D50 V56 I58 A67 M70 L79 Q80Y48-D50 HydrophobicContact CE2-CB 4.47Å; Y48-V56 HydrophobicContact CD1-CB 4.13Å; Y48-V56 HydrophobicContact CD1-CG1 4.41Å; Y48-V56 WeakPolarHBondContact CD1-O 3.13Å; Y48-V56 HydrophobicContact CE1-CB 3.71Å; Y48-V56 HydrophobicContact CE1-CG1 3.64Å; Y48-V56 PolarHBondContact N-O 3.05Å; Y48-V56 PolarHBondContact O-N 3Å; Y48-I58 HydrophobicContact CD1-CD1 3.78Å; Y48-I58 HydrophobicContact CD1-CG1 3.51Å; Y48-I58 HydrophobicContact CE1-CD1 4.4Å; Y48-I58 HydrophobicContact CE1-CG1 3.94Å; Y48-I58 HydrophobicContact CG-CD1 4.45Å; Y48-A67 HydrophobicContact CD1-CB 3.87Å; Y48-A67 HydrophobicContact CD2-CB 3.77Å; Y48-A67 HydrophobicContact CE1-CB 3.79Å; Y48-A67 HydrophobicContact CE2-CB 3.7Å; Y48-A67 HydrophobicContact CG-CB 3.85Å; Y48-M70 HydrophobicContact CE2-CE 4.25Å; Y48-M70 HydrophobicContact CE2-SD 3.81Å; Y48-L79 HydrophobicContact CD2-CD1 4.06Å; Y48-L79 HydrophobicContact CG-CD1 4.38Å; Y48-Q80 WeakPolarHBondContact CA-O 3.41Å; Y48-Q80 WeakPolarHBondContact CB-O 3.49Å
49L86.9Confident85.8Confident57 Ų5768.2 Ų68.230%0.29835%0.35SS..EExtended strand (participates in β ladder)trans-92.4127.1173.5-68.7175000110.6E54 E55L49-E54 WeakPolarHBondContact CA-O 3.3Å; L49-E55 HydrophobicContact CD2-CG 3.95Å
50D83.6Confident85.8Confident34 Ų3468.9 Ų68.918%0.18236%0.358CS..  trans-84.9-165.5-171.8102.5-49.7000113.6Y48 E52 N53 E54 V56 M70Y48-D50 HydrophobicContact CE2-CB 4.47Å; D50-E52 WeakPolarHBondContact OD1-CA 3.37Å; D50-E52 PolarHBondContact OD1-N 3.46Å; D50-E52 PolarHBondContact OD2-N 2.81Å; D50-N53 PolarHBondContact OD1-N 2.72Å; D50-E54 PolarHBondContact N-O 2.89Å; D50-E54 PolarHBondContact OD1-N 2.93Å; D50-V56 HydrophobicContact CB-CG2 3.8Å; D50-M70 HydrophobicContact CB-CE 3.92Å
51E78.8Confident86.1Confident112 Ų11265 Ų6552%0.52333%0.334SS..THydrogen-bonded Turntrans-76.6-17-179.968163.4163.300115M70 K74E51-M70 HydrophobicContact CB-CE 3.72Å; E51-M70 HydrophobicContact CG-CE 4.13Å; E51-K74 HydrophobicContact CB-CD 4.26Å; E51-K74 PolarHBondContact O-NZ 3.39Å
52E80.8Confident86.1Confident95 Ų9571.2 Ų71.244%0.44436%0.363SS..THydrogen-bonded Turntrans-106.911174.8-52.2-153.5143.800112.7D50 Q307D50-E52 WeakPolarHBondContact OD1-CA 3.37Å; D50-E52 PolarHBondContact OD1-N 3.46Å; D50-E52 PolarHBondContact OD2-N 2.81Å; E52-Q307 PolarHBondContact OE2-NE2 3.21Å
53N78.2Confident86.7Confident128 Ų12866.6 Ų66.668%0.68434%0.337SS*.SBendtrans70.127-177.5-76.497.7000115.2D50D50-N53 PolarHBondContact OD1-N 2.72Å
54E83.3Confident87Confident127 Ų12764 Ų6459%0.59332%0.321SS*.  trans-91149.4174.7-55.9-162.4162.400112.4L49 D50 V56L49-E54 WeakPolarHBondContact CA-O 3.3Å; D50-E54 PolarHBondContact N-O 2.89Å; D50-E54 PolarHBondContact OD1-N 2.93Å; E54-V56 PolarHBondContact O-N 2.82Å
55E85.3Confident87Confident100 Ų10066.5 Ų66.547%0.46733%0.332SS..EExtended strand (participates in β ladder)trans-8397.1179.8-74.9179.2-146.800112.1K47 L49K47-E55 HydrophobicContact CD-CB 3.81Å; K47-E55 HydrophobicContact CD-CG 4.44Å; K47-E55 WeakPolarHBondContact CD-OE2 3.49Å; K47-E55 WeakPolarHBondContact CE-OE2 3.33Å; K47-E55 IonicContact NZ-OE2 3.86Å; K47-E55 PolarHBondContact NZ-OE2 2.97Å; L49-E55 HydrophobicContact CD2-CG 3.95Å
56V87.9Confident86.8Confident49 Ų4966.9 Ų66.930%0.29733%0.334SS..EExtended strand (participates in β ladder)trans-94125.2179178.50000110.7K47 Y48 D50 E54K47-V56 CarbonylContact C-O 3.59Å; K47-V56 WeakPolarHBondContact CA-O 3.41Å; K47-V56 WeakPolarHBondContact CB-O 3.41Å; Y48-V56 HydrophobicContact CD1-CB 4.13Å; Y48-V56 HydrophobicContact CD1-CG1 4.41Å; Y48-V56 WeakPolarHBondContact CD1-O 3.13Å; Y48-V56 HydrophobicContact CE1-CB 3.71Å; Y48-V56 HydrophobicContact CE1-CG1 3.64Å; Y48-V56 PolarHBondContact N-O 3.05Å; Y48-V56 PolarHBondContact O-N 3Å; D50-V56 HydrophobicContact CB-CG2 3.8Å; E54-V56 PolarHBondContact O-N 2.82Å
57S89.8Confident86.6Confident41 Ų4166.8 Ų66.829%0.28733%0.333SS..EExtended strand (participates in β ladder)trans-80.4126.6177.559.70000112.4I46I46-S57 WeakPolarHBondContact O-CA 3.4Å
58I90Very high86.3Confident7 Ų765.3 Ų65.34%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-84.3120.8173.5-47.5179.8000108.4W28 I46 Y48 E63 Y64 A67 M81W28-I58 HydrophobicContact CD2-CG2 3.79Å; W28-I58 HydrophobicContact CE3-CB 4.46Å; W28-I58 HydrophobicContact CE3-CG2 3.6Å; W28-I58 HydrophobicContact CH2-CB 3.61Å; W28-I58 HydrophobicContact CH2-CD1 4.35Å; W28-I58 HydrophobicContact CH2-CG2 3.63Å; W28-I58 HydrophobicContact CZ2-CB 3.98Å; W28-I58 HydrophobicContact CZ2-CG2 3.82Å; W28-I58 WeakPolarHBondContact CZ2-O 3.33Å; W28-I58 HydrophobicContact CZ3-CB 3.89Å; W28-I58 HydrophobicContact CZ3-CD1 3.97Å; W28-I58 HydrophobicContact CZ3-CG2 3.53Å; I46-I58 PolarHBondContact O-N 2.87Å; Y48-I58 HydrophobicContact CD1-CD1 3.78Å; Y48-I58 HydrophobicContact CD1-CG1 3.51Å; Y48-I58 HydrophobicContact CE1-CD1 4.4Å; Y48-I58 HydrophobicContact CE1-CG1 3.94Å; Y48-I58 HydrophobicContact CG-CD1 4.45Å; I58-E63 HydrophobicContact CG2-CB 4.1Å; I58-Y64 HydrophobicContact CD1-CD2 4.46Å; I58-A67 HydrophobicContact CD1-CB 4.14Å; I58-M81 HydrophobicContact CD1-CE 3.6Å
59N85.2Confident86Confident110 Ų11069.6 Ų69.659%0.58835%0.346SS*.  trans-124.6-7.5174.865.987.3000112.9E63N59-E63 WeakPolarHBondContact CA-OE2 3.43Å; N59-E63 PolarHBondContact N-OE2 3.04Å; N59-E63 PolarHBondContact ND2-OE1 3.42Å; N59-E63 PolarHBondContact ND2-OE2 3.06Å; N59-E63 PolarHBondContact OD1-OE2 3.36Å
60S88.1Confident85.8Confident37 Ų3768.8 Ų68.826%0.25934%0.342SS..SBendtrans-144.1163.2-174.167.90000113.6E62 E63 Y64S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 2.87Å; S60-E63 PolarHBondContact N-OE2 3.14Å; S60-E63 PolarHBondContact O-N 3.08Å; S60-E63 WeakPolarHBondContact OG-CG 3.41Å; S60-E63 PolarHBondContact OG-OE2 3.28Å; S60-Y64 PolarHBondContact O-N 3.37Å
61Q89.8Confident85.6Confident68 Ų6867.3 Ų67.332%0.31833%0.334SS..Hα-helixtrans-59.1-40.8174.7176.464.730.400112.6W28 E63 Y64 E65W28-Q61 HydrophobicContact CB-CB 4.47Å; Q61-E63 PolarHBondContact O-N 3.29Å; Q61-Y64 PolarHBondContact O-N 3.49Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.15Å; Q61-E65 PolarHBondContact NE2-OE1 3.14Å; Q61-E65 WeakPolarHBondContact O-CG 3.36Å; Q61-E65 PolarHBondContact O-N 3.44Å
62E85.8Confident85.6Confident147 Ų14765.4 Ų65.469%0.68733%0.327SS*.Hα-helixtrans-65.3-41.9-176.9-170.4168.1-166.400111.3S60 E65 E66S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 2.87Å; E62-E65 PolarHBondContact O-N 3.48Å; E62-E66 PolarHBondContact O-N 3.38Å
63E89.1Confident85.2Confident49 Ų4967.6 Ų67.623%0.22934%0.34CS..Hα-helixtrans-67.7-34.2175-66.1159.2152.400112.8I58 N59 S60 Q61 E66 A67I58-E63 HydrophobicContact CG2-CB 4.1Å; N59-E63 WeakPolarHBondContact CA-OE2 3.43Å; N59-E63 PolarHBondContact N-OE2 3.04Å; N59-E63 PolarHBondContact ND2-OE1 3.42Å; N59-E63 PolarHBondContact ND2-OE2 3.06Å; N59-E63 PolarHBondContact OD1-OE2 3.36Å; S60-E63 PolarHBondContact N-OE2 3.14Å; S60-E63 PolarHBondContact O-N 3.08Å; S60-E63 WeakPolarHBondContact OG-CG 3.41Å; S60-E63 PolarHBondContact OG-OE2 3.28Å; Q61-E63 PolarHBondContact O-N 3.29Å; E63-E66 PolarHBondContact O-N 3.13Å; E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å
64Y89.8Confident84.6Confident0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-64.8-43.1173.3175.4-116.6000111.2W28 V31 I58 S60 Q61 E66 A67 L68W28-Y64 AromaticContact CE3-CD2 3.88Å; W28-Y64 HydrophobicContact CE3-CD2 3.88Å; W28-Y64 AromaticContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CZ3-CD2 4.21Å; V31-Y64 HydrophobicContact CG1-CE2 4.46Å; V31-Y64 HydrophobicContact CG2-CE1 4.19Å; V31-Y64 HydrophobicContact CG2-CE2 3.93Å; I58-Y64 HydrophobicContact CD1-CD2 4.46Å; S60-Y64 PolarHBondContact O-N 3.37Å; Q61-Y64 PolarHBondContact O-N 3.49Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; Y64-E66 PolarHBondContact O-N 2.91Å; Y64-A67 WeakPolarHBondContact O-CB 3.32Å; Y64-A67 PolarHBondContact O-N 3.26Å; Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CE1-CD1 3.46Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.46Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 HydrophobicContact CE2-CD1 4.25Å; Y64-L68 HydrophobicContact CE2-CD2 4.26Å; Y64-L68 HydrophobicContact CE2-CG 4.04Å; Y64-L68 WeakPolarHBondContact O-CG 3.49Å; Y64-L68 PolarHBondContact O-N 3.15Å
65E88.4Confident83.5Confident78 Ų7864.2 Ų64.236%0.36432%0.319SS..Hα-helixtrans-67.3-32.5175.1-66.9173.8-153.600113Q61 E62 K69Q61-E65 WeakPolarHBondContact CG-OE1 3.15Å; Q61-E65 PolarHBondContact NE2-OE1 3.14Å; Q61-E65 WeakPolarHBondContact O-CG 3.36Å; Q61-E65 PolarHBondContact O-N 3.44Å; E62-E65 PolarHBondContact O-N 3.48Å; E65-K69 VanDerWaalsContact CB-NZ 3.3Å; E65-K69 WeakPolarHBondContact O-CD 3.22Å; E65-K69 VanDerWaalsContact O-CE 3.23Å; E65-K69 WeakPolarHBondContact O-CE 3.44Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.42Å; E65-K69 IonicContact OE2-NZ 3.47Å; E65-K69 PolarHBondContact OE2-NZ 3.28Å
66E86.9Confident82.8Confident107 Ų10762.4 Ų62.450%0.533%0.327SS..Hα-helixtrans-65.2-44.9169.9-70-158.3139.300111.5E62 E63 Y64 L68 K69 M70E62-E66 PolarHBondContact O-N 3.38Å; E63-E66 PolarHBondContact O-N 3.13Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; Y64-E66 PolarHBondContact O-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.39Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 VanDerWaalsContact O-N 3.15Å; E66-M70 VanDerWaalsContact O-CG 3.26Å; E66-M70 WeakPolarHBondContact O-CG 3.45Å; E66-M70 PolarHBondContact O-N 2.94Å
67A88.1Confident82.6Confident0 Ų062.8 Ų62.80%033%0.328CS..Hα-helixtrans-59-41.3175.200000112.6Y48 I58 E63 Y64 M70 A71 L79Y48-A67 HydrophobicContact CD1-CB 3.87Å; Y48-A67 HydrophobicContact CD2-CB 3.77Å; Y48-A67 HydrophobicContact CE1-CB 3.79Å; Y48-A67 HydrophobicContact CE2-CB 3.7Å; Y48-A67 HydrophobicContact CG-CB 3.85Å; I58-A67 HydrophobicContact CD1-CB 4.14Å; E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å; Y64-A67 WeakPolarHBondContact O-CB 3.32Å; Y64-A67 PolarHBondContact O-N 3.26Å; A67-M70 PolarHBondContact O-N 2.9Å; A67-A71 PolarHBondContact O-N 3.31Å; A67-L79 HydrophobicContact CB-CD1 4.16Å; A67-L79 HydrophobicContact CB-CD2 3.74Å
68L85.7Confident82.3Confident12 Ų1265 Ų656%0.06333%0.334CS..Hα-helixtrans-62.5-44.4173.3-74.9174.3000112.8V5 P23 Y64 E66 M70 A71 N72V5-L68 HydrophobicContact CB-CD2 4.37Å; V5-L68 HydrophobicContact CG1-CD2 3.94Å; V5-L68 HydrophobicContact CG2-CD2 4.39Å; P23-L68 HydrophobicContact CB-CD1 3.9Å; P23-L68 HydrophobicContact CB-CD2 3.89Å; P23-L68 WeakPolarHBondContact O-CD1 3.08Å; Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CE1-CD1 3.46Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.46Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 HydrophobicContact CE2-CD1 4.25Å; Y64-L68 HydrophobicContact CE2-CD2 4.26Å; Y64-L68 HydrophobicContact CE2-CG 4.04Å; Y64-L68 WeakPolarHBondContact O-CG 3.49Å; Y64-L68 PolarHBondContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.39Å; L68-M70 PolarHBondContact O-N 3.15Å; L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.46Å; L68-N72 PolarHBondContact O-N 3.49Å; L68-N72 VanDerWaalsContact O-N 3.15Å
69K85.3Confident82.3Confident103 Ų10364.9 Ų64.945%0.44833%0.333SS..Hα-helixtrans-59.1-36.5175.6-69.1153.7-158.6151.40110.6E65 E66 I73E65-K69 VanDerWaalsContact CB-NZ 3.3Å; E65-K69 WeakPolarHBondContact O-CD 3.22Å; E65-K69 VanDerWaalsContact O-CE 3.23Å; E65-K69 WeakPolarHBondContact O-CE 3.44Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.42Å; E65-K69 IonicContact OE2-NZ 3.47Å; E65-K69 PolarHBondContact OE2-NZ 3.28Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 VanDerWaalsContact O-N 3.15Å; K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 WeakPolarHBondContact O-CD1 3.34Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3Å; K69-I73 VanDerWaalsContact O-N 3.15Å
70M81.6Confident82.4Confident41 Ų4164.3 Ų64.320%0.20233%0.327CS..Hα-helixtrans-75-37.1179.7-64.8166.480.100113Y48 D50 E51 E66 A67 L68 N72 I73 K74Y48-M70 HydrophobicContact CE2-CE 4.25Å; Y48-M70 HydrophobicContact CE2-SD 3.81Å; D50-M70 HydrophobicContact CB-CE 3.92Å; E51-M70 HydrophobicContact CB-CE 3.72Å; E51-M70 HydrophobicContact CG-CE 4.13Å; E66-M70 VanDerWaalsContact O-CG 3.26Å; E66-M70 WeakPolarHBondContact O-CG 3.45Å; E66-M70 PolarHBondContact O-N 2.94Å; A67-M70 PolarHBondContact O-N 2.9Å; L68-M70 PolarHBondContact O-N 3.15Å; M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 2.91Å; M70-I73 PolarHBondContact O-N 2.67Å; M70-K74 PolarHBondContact O-N 2.97Å
71A81Confident82.6Confident2 Ų262.8 Ų62.82%0.01732%0.315CS..Hα-helixtrans-56.8-45.817100000112.1V5 A67 L68 Q75 G76 N77 Q78 L79V5-A71 HydrophobicContact CG1-CB 4.42Å; A67-A71 PolarHBondContact O-N 3.31Å; L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.46Å; A71-Q75 CarbonylContact O-C 3.38Å; A71-Q75 PolarHBondContact O-N 3.45Å; A71-Q75 VanDerWaalsContact O-N 3.08Å; A71-G76 PolarHBondContact O-N 3.13Å; A71-N77 PolarHBondContact O-N 2.85Å; A71-Q78 WeakPolarHBondContact CA-O 3.46Å; A71-Q78 VanDerWaalsContact CB-O 3.22Å; A71-Q78 WeakPolarHBondContact CB-O 3.33Å; A71-L79 HydrophobicContact CB-CB 3.95Å; A71-L79 HydrophobicContact CB-CD1 4.36Å
72N77.6Confident82.6Confident73 Ų7363.3 Ų63.339%0.3932%0.318SS..Hα-helixtrans-69.5-30.8179.1-66.7-4.1000112.8V5 L68 M70 N77V5-N72 WeakPolarHBondContact CG2-OD1 3.37Å; L68-N72 PolarHBondContact O-N 3.49Å; L68-N72 VanDerWaalsContact O-N 3.15Å; M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 2.91Å; N72-N77 PolarHBondContact OD1-OD1 3.05Å
73I72.5Confident82.9Confident140 Ų14056.6 Ų56.672%0.71829%0.287SS*.Hα-helixtrans-84.6-35.7-179.2-69.7166.9000112.9K69 M70K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 WeakPolarHBondContact O-CD1 3.34Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3Å; K69-I73 VanDerWaalsContact O-N 3.15Å; M70-I73 PolarHBondContact O-N 2.67Å
74K65.1Low82.8Confident115 Ų11557.1 Ų57.150%0.529%0.289SS..Hα-helixtrans-115-24.5-169.4-71.3-158.3172.9-158.40116.6E51 M70E51-K74 HydrophobicContact CB-CD 4.26Å; E51-K74 PolarHBondContact O-NZ 3.39Å; M70-K74 PolarHBondContact O-N 2.97Å
75Q60Low82.5Confident69 Ų6962.6 Ų62.632%0.32232%0.315SS..SBendtrans-129.917.4-165.1-67.9-167.524.400114.3A71 Q78A71-Q75 CarbonylContact O-C 3.38Å; A71-Q75 PolarHBondContact O-N 3.45Å; A71-Q75 VanDerWaalsContact O-N 3.08Å; Q75-Q78 HydrophobicContact CB-CB 4.34Å; Q75-Q78 WeakPolarHBondContact CB-O 3.26Å; Q75-Q78 WeakPolarHBondContact O-CB 3.27Å; Q75-Q78 PolarHBondContact O-N 3.46Å; Q75-Q78 PolarHBondContact OE1-O 3.46Å
76G71.9Confident81.5Confident63 Ų6360.1 Ų60.165%0.64931%0.311SS*.SBendtrans61.449.7175.800000112.4A71 Q78A71-G76 PolarHBondContact O-N 3.13Å; G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 3.26Å
77N82.7Confident79.1Confident57 Ų5761.2 Ų61.231%0.30533%0.328SS..SBendtrans61.433.5-175.9-58.719.5000113.9Q4 V5 T6 A71 N72Q4-N77 VanDerWaalsContact O-CB 3.3Å; Q4-N77 WeakPolarHBondContact O-CB 3.38Å; Q4-N77 PolarHBondContact O-ND2 3.48Å; V5-N77 CarbonylContact C-O 3.58Å; V5-N77 WeakPolarHBondContact CA-O 3.42Å; V5-N77 HydrophobicContact CG2-CB 4.2Å; T6-N77 PolarHBondContact N-O 3.26Å; A71-N77 PolarHBondContact O-N 2.85Å; N72-N77 PolarHBondContact OD1-OD1 3.05Å
78Q84.1Confident76.6Confident88 Ų8867.2 Ų67.241%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-115.8138.9169.4-55.7-17043.300110.7T6 N8 A71 Q75 G76T6-Q78 CarbonylContact O-C 3.6Å; T6-Q78 WeakPolarHBondContact O-CA 3.29Å; N8-Q78 PolarHBondContact ND2-OE1 2.74Å; A71-Q78 WeakPolarHBondContact CA-O 3.46Å; A71-Q78 VanDerWaalsContact CB-O 3.22Å; A71-Q78 WeakPolarHBondContact CB-O 3.33Å; Q75-Q78 HydrophobicContact CB-CB 4.34Å; Q75-Q78 WeakPolarHBondContact CB-O 3.26Å; Q75-Q78 WeakPolarHBondContact O-CB 3.27Å; Q75-Q78 PolarHBondContact O-N 3.46Å; Q75-Q78 PolarHBondContact OE1-O 3.46Å; G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 3.26Å
79L88.8Confident74.1Confident4 Ų473 Ų732%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-121.3119.5173.9-175.358.9000109.7T6 L7 N8 Y48 A67 A71 M81T6-L79 PolarHBondContact O-N 3Å; L7-L79 HydrophobicContact CD2-CB 3.8Å; L7-L79 HydrophobicContact CD2-CD2 3.97Å; L7-L79 HydrophobicContact CD2-CG 4.42Å; N8-L79 PolarHBondContact N-O 2.87Å; Y48-L79 HydrophobicContact CD2-CD1 4.06Å; Y48-L79 HydrophobicContact CG-CD1 4.38Å; A67-L79 HydrophobicContact CB-CD1 4.16Å; A67-L79 HydrophobicContact CB-CD2 3.74Å; A71-L79 HydrophobicContact CB-CB 3.95Å; A71-L79 HydrophobicContact CB-CD1 4.36Å; L79-M81 HydrophobicContact CD2-CE 4.08Å; L79-M81 HydrophobicContact CD2-CG 4.07Å; L79-M81 HydrophobicContact CD2-SD 4.13Å; L79-M81 HydrophobicContact CG-CG 3.86Å; L79-M81 HydrophobicContact CG-SD 4.47Å
80Q88.6Confident71.6Confident98 Ų9873.4 Ų73.446%0.45840%0.402SS..EExtended strand (participates in β ladder)trans-83.4124.8171.5-66.5-176.18.500110Y48Y48-Q80 WeakPolarHBondContact CA-O 3.41Å; Y48-Q80 WeakPolarHBondContact CB-O 3.49Å
81M91.8Very high69Low4 Ų478.2 Ų78.22%0.0243%0.429CS..EExtended strand (participates in β ladder)trans-128.3142.3-177.2-51.1179.194.400110.2L7 N8 V9 T10 W28 V31 I46 K47 I58 L79L7-M81 HydrophobicContact CB-SD 4.01Å; L7-M81 HydrophobicContact CD1-SD 4.12Å; L7-M81 HydrophobicContact CD2-SD 4.09Å; L7-M81 HydrophobicContact CG-SD 4.3Å; N8-M81 PolarHBondContact O-N 3.42Å; V9-M81 CarbonylContact C-O 3.58Å; V9-M81 WeakPolarHBondContact CA-O 3.46Å; V9-M81 HydrophobicContact CG2-CB 4.21Å; V9-M81 HydrophobicContact CG2-SD 4.02Å; T10-M81 PolarHBondContact N-O 3.15Å; W28-M81 HydrophobicContact CZ3-CE 4.31Å; V31-M81 HydrophobicContact CG1-CE 4.42Å; I46-M81 HydrophobicContact CG2-CB 4.1Å; I46-M81 HydrophobicContact CG2-CE 3.87Å; K47-M81 CarbonylContact O-C 3.58Å; K47-M81 WeakPolarHBondContact O-CA 3.5Å; I58-M81 HydrophobicContact CD1-CE 3.6Å; L79-M81 HydrophobicContact CD2-CE 4.08Å; L79-M81 HydrophobicContact CD2-CG 4.07Å; L79-M81 HydrophobicContact CD2-SD 4.13Å; L79-M81 HydrophobicContact CG-CG 3.86Å; L79-M81 HydrophobicContact CG-SD 4.47Å
82Q90.3Very high66.5Low79 Ų7985.5 Ų85.537%0.36946%0.463SS..EExtended strand (participates in β ladder)trans-124.5122.6179.8-167.8-177.29.100110.9T10 I46 K47 H84T10-Q82 WeakPolarHBondContact O-CA 3.32Å; I46-Q82 WeakPolarHBondContact CA-O 3.43Å; K47-Q82 PolarHBondContact N-O 3.46Å; K47-Q82 PolarHBondContact O-N 2.87Å; Q82-H84 PolarHBondContact O-ND1 3.07Å
83V91.8Very high64.3Low6 Ų687.8 Ų87.84%0.03648%0.48CS..EExtended strand (participates in β ladder)trans-96139.5-176.8-164.40000110V9 T10 F11 V35 L41 I44 I46V9-V83 HydrophobicContact CG1-CG2 3.23Å; T10-V83 PolarHBondContact O-N 2.98Å; F11-V83 HydrophobicContact CB-CB 4.09Å; F11-V83 HydrophobicContact CB-CG2 4.47Å; F11-V83 HydrophobicContact CD2-CB 3.88Å; F11-V83 HydrophobicContact CD2-CG1 4.13Å; F11-V83 WeakPolarHBondContact CD2-O 3.27Å; F11-V83 HydrophobicContact CG-CB 4.37Å; V35-V83 HydrophobicContact CG1-CG1 4.04Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å; L41-V83 HydrophobicContact CD1-CG1 4.04Å; I44-V83 HydrophobicContact CB-CG1 3.88Å; I44-V83 HydrophobicContact CD1-CG1 4.4Å; I44-V83 HydrophobicContact CG2-CG1 3.88Å; I46-V83 HydrophobicContact CG1-CG1 4.36Å; I46-V83 HydrophobicContact CG1-CG2 4.4Å
84H86.2Confident62Low60 Ų6089.3 Ų89.328%0.27848%0.481SS..EExtended strand (participates in β ladder)trans-125.4138.8174.4-59.677000108.6I44 Q45 Q82 G86I44-H84 CarbonylContact C-O 3.58Å; I44-H84 WeakPolarHBondContact CA-O 3.37Å; Q45-H84 HydrophobicContact CB-CB 4.41Å; Q45-H84 PolarHBondContact N-O 3.29Å; Q45-H84 PolarHBondContact O-N 3.29Å; Q82-H84 PolarHBondContact O-ND1 3.07Å; H84-G86 PolarHBondContact O-N 2.97Å
85E84.6Confident60.4Low115 Ų11589 Ų8954%0.53749%0.491SS..EExtended strand (participates in β ladder)trans-78.4116.7-179.3-171.5174.7177.500110.1F11 K12 C87F11-E85 HydrophobicContact CE2-CB 4.06Å; F11-E85 HydrophobicContact CZ-CB 4.18Å; K12-E85 WeakPolarHBondContact CE-OE2 3.48Å; K12-E85 IonicContact NZ-OE2 3.55Å; K12-E85 PolarHBondContact NZ-OE2 3.26Å; E85-C87 PolarHBondContact O-N 2.81Å
86G66.5Low59.2Low27 Ų2791.9 Ų91.928%0.27852%0.516SS..  trans-80.4108.6-177.500000111.1T43 H84 H88T43-G86 VanDerWaalsContact CB-O 3.22Å; T43-G86 WeakPolarHBondContact CB-O 3.46Å; T43-G86 PolarHBondContact O-N 3.14Å; T43-G86 PolarHBondContact OG1-O 3.01Å; H84-G86 PolarHBondContact O-N 2.97Å; G86-H88 PolarHBondContact O-N 3.23Å
87C36.7Very low56.9Low129 Ų12995.6 Ų95.687%0.87253%0.526SS*.  trans-73109.5177-170.40000110.9E85E85-C87 PolarHBondContact O-N 2.81Å
88H36.8Very low54.2Low127 Ų12799.1 Ų99.159%0.58855%0.549SS*.  trans-108.4110.3177.7-173.3-65.3000110.9T43 G86 V90T43-H88 HydrophobicContact CG2-CB 4.22Å; G86-H88 PolarHBondContact O-N 3.23Å; H88-V90 PolarHBondContact O-N 2.9Å
89V31.8Very low51.3Low133 Ų133101.2 Ų101.281%0.80657%0.568SS**PPolyproline II helixtrans-71.1116.5171.6-179.40000109
90V32.9Very low48.2Very low111 Ų111107.7 Ų107.767%0.67360%0.598SS**PPolyproline II helixtrans-97.5126.3177.5-179.40000109.5H88H88-V90 PolarHBondContact O-N 2.9Å
91D27.6Very low45.2Very low142 Ų142110.7 Ų110.776%0.75961%0.609SS**PPolyproline II helixtrans-89117.1175-17224.2000110.1
92E27.5Very low42Very low155 Ų155119.7 Ų119.772%0.72465%0.652SS**PPolyproline II helixtrans-83.6123.7-179.1-85.1-152.5121.700112.2
93T32.3Very low38.8Very low122 Ų122122.1 Ų122.175%0.74867%0.671SS**  trans-106.1116.3173.5-60.30000111.9
94F25Very low35.6Very low172 Ų172126.7 Ų126.775%0.75471%0.71SS**  trans-137.7164.9170.6-83.8-57.3000112.1
95P30.4Very low32.7Very low107 Ų107127.9 Ų127.970%0.69573%0.73SS**  trans-97.9167.4-13137.4-38.2000116.2
96P35.3Very low30.2Very low130 Ų130133.8 Ų133.884%0.84475%0.748SS**  trans-77.1152.5-169.431.3-37.8000114.7
97T22.5Very low28.3Very low141 Ų141139 Ų13987%0.86577%0.774SS**  trans-127.9144.7169.3-61.20000110.5
98V26.3Very low27.8Very low131 Ų131136.2 Ų136.279%0.79477%0.767SS**  trans-100.1143-173.3175.80000111.6
99V24.3Very low27.7Very low133 Ų133140.4 Ų140.481%0.80678%0.783SS**  trans172.4111.3147.6145.30000106
100E23.6Very low27.7Very low139 Ų139143.1 Ų143.165%0.6578%0.784SS**  76.886.570-164.9167.1-16200115.1
101K24.9Very low27.8Very low161 Ų161143.3 Ų143.370%0.779%0.788SS**  52.5119.2123.1173.8-158.9178.3-173.30119.3
102Q24.7Very low27.7Very low194 Ų194144.3 Ų144.391%0.90779%0.792SS**  -158.1177.7122.3-117.917770.300114.2
103V23.8Very low27.7Very low129 Ų129140.7 Ų140.778%0.78279%0.789SS**  trans-131.2143.7-164.1172.90000110.7
104A23.5Very low27.4Very low103 Ų103144 Ų14485%0.85180%0.795SS**  trans-136146.4160.100000110.1
105A26.4Very low27.3Very low85 Ų85141.6 Ų141.670%0.70280%0.8SS**  trans-158.9178.6-17200000112.8
106R32.4Very low27.5Very low239 Ų239141.7 Ų141.790%0.90280%0.803SS**  trans91.9143.4-176.5-58174.3177.3-159-2113
107T25.9Very low27.1Very low137 Ų137143.7 Ų143.784%0.8481%0.806SS**  cis-145.8154.56.7-6.60000107.2
108G26.9Very low27.4Very low69 Ų69142.4 Ų142.471%0.71180%0.798SS**  cis97137.238.100000110.6
109K33.5Very low27.4Very low215 Ų215147.6 Ų147.694%0.93580%0.803SS**  cis-162.9171.7-5.8-113.3-179.9-179.6-177.90109.9
110K32.2Very low27.7Very low191 Ų191147 Ų14783%0.8380%0.799SS**  trans-83.6167.1178.7-57.4-178.4-179.2-178.80114.2
111P34.9Very low28.1Very low114 Ų114148.7 Ų148.774%0.7481%0.812SS**  -132.6163.198.315.17.9000112.7
112L26.4Very low28.3Very low163 Ų163143.9 Ų143.985%0.85381%0.808SS**  cis6913648.9-60.5171.6000114.7
113A26.3Very low28.6Very low79 Ų79140.2 Ų140.265%0.65380%0.804SS**  cis-167.7161.8-19.800000111.1
114H26Very low28.9Very low191 Ų191140.8 Ų140.888%0.88480%0.802SS**  trans46.1130161.3-77.4-79.1000122.9
115S22.5Very low29.1Very low122 Ų122143.1 Ų143.185%0.85380%0.798SS**  -162.4167.511665.60000111.2
116S35.1Very low29Very low109 Ų109147.2 Ų147.276%0.76280%0.799SS**  trans-156.3136.9178.755.50000111.1
117L27.6Very low28.5Very low173 Ų173141.7 Ų141.791%0.90679%0.792SS**  trans-161.5172.3165.3-117.1173.4000112.8
118V29Very low28.4Very low114 Ų114141 Ų14169%0.69179%0.788SS**  trans-124.5143.7-159.1171.50000112.3
119R26.3Very low28.2Very low240 Ų240147 Ų14791%0.90680%0.798SS**  trans-161.9169.5142-127.7165.3-77.9-167.4-4114.9
120V30.6Very low28Very low120 Ų120143.9 Ų143.973%0.72779%0.787SS**  trans-135.8169.3-170.1173.90000108.7
121L30.8Very low28.5Very low175 Ų175140.6 Ų140.692%0.91679%0.785SS**  trans98.7135.4177.4-58165.2000114.3
122G30.1Very low28Very low59 Ų59139 Ų13961%0.60878%0.781SS**  cis170.8-168.8-4.900000114.3
123S31.3Very low27.9Very low118 Ų118136.2 Ų136.283%0.82578%0.781SS**  trans77.7145179.184.80000116
124D28.5Very low27.9Very low141 Ų141141.1 Ų141.175%0.75479%0.791SS**  cis-157.9166.1-4.1-139.8-37.5000114
125M27.8Very low28Very low152 Ų152138 Ų13875%0.74979%0.787SS**  trans63.8148.9158.3-63.2-171.384.100120.4
126K25.2Very low28.1Very low170 Ų170137.3 Ų137.374%0.73978%0.781SS**  cis-169.5152.8-22-176.9-173.4166.5-1750109.9
127T22.1Very low27.8Very low123 Ų123138.2 Ų138.276%0.75579%0.785SS**  trans108.6114.1152.7-33.10000116.3
128T23.2Very low27.6Very low123 Ų123137.3 Ų137.376%0.75578%0.78SS**  trans-87.9160.9170.8-32.50000110.5
129E22.8Very low27.4Very low196 Ų196137.9 Ų137.992%0.91678%0.783SS**  -154.9151.7118.6-120.1172.9-166.100113.3
130E28.6Very low27.5Very low149 Ų149132.8 Ų132.870%0.69678%0.779SS**  trans-134152.5174.5-163.7-141.8118.800105.2A132E130-A132 PolarHBondContact OE1-N 2.75Å
131P42.8Very low27.3Very low122 Ų122135.2 Ų135.279%0.79278%0.783SS**  -153.5140.4102.735.7-17000117.2
132A24.8Very low27.8Very low79 Ų79131.5 Ų131.565%0.65377%0.769SS**  32.2150.7129.100000124.7E130E130-A132 PolarHBondContact OE1-N 2.75Å
133A25.3Very low27.6Very low105 Ų105134.2 Ų134.287%0.86878%0.778SS**  trans102.4131.9146.900000120.4
134Q26.4Very low28Very low182 Ų182134.3 Ų134.385%0.8578%0.775SS**  trans-85.5156.5164.5-58-179.7-25.400109.5
135P27.2Very low27.9Very low125 Ų125133 Ų13381%0.81278%0.775SS**  -142170.87436.9-18.6000116.1
136C24.2Very low28.4Very low108 Ų108132.4 Ų132.473%0.7378%0.776SS**  trans-73.4165171-53.40000111.3
137P29.2Very low29Very low128 Ų128130.7 Ų130.783%0.83178%0.78SS**  -120.2157.874.22.219.6000112
138L24.3Very low29.5Very low155 Ų155132.1 Ų132.181%0.81278%0.783SS**  cis137.3103.16.3175.894.8000104.8
139V24.5Very low30.6Very low125 Ų125134.1 Ų134.176%0.75878%0.783SS**  trans174.1123.6136149.90000109.4
140T27.1Very low31.1Very low134 Ų134130.7 Ų130.782%0.82278%0.781SS**  trans48.9112.7157.6-49.90000121.3
141Q28.4Very low31.7Very low171 Ų171130 Ų13080%0.79978%0.778SS**  trans-97.2174.5151.9-115.3-169.99.500109.3
142P41Very low31.7Very low97 Ų97132.6 Ų132.663%0.6379%0.785SS**  cis-136.7158-12.637.3-19.9000116
143C24.3Very low33.1Very low116 Ų116136.5 Ų136.578%0.78479%0.787SS**  trans43163.3132.9-590000123.8
144P40.1Very low35.3Very low120 Ų120134.6 Ų134.678%0.77977%0.766SS**  cis-133.5154.4-23.533.7-16.6000114.9
145C27.1Very low38.1Very low112 Ų112129.4 Ų129.476%0.75775%0.748SS**  trans-162163.6141.2-134.30000112
146D38.4Very low40.5Very low141 Ų141130.1 Ų130.175%0.75475%0.745SS**  trans55.7112.9159.7-50-31.3000121
147T37.9Very low43.4Very low134 Ų134133.6 Ų133.682%0.82274%0.743SS**  168.5120.5122.7-69.90000109.6
148D31.6Very low45.7Very low153 Ų153131.3 Ų131.382%0.81872%0.72SS**  -169.3159.5112.6-142.9-20.5000112.2
149Q46.4Very low48.5Very low165 Ų165126.9 Ų126.977%0.77170%0.7SS**  trans-114.7133173.3-66-175.218.800111.5
150S33.4Very low51.2Low124 Ų124123.9 Ų123.987%0.86768%0.684SS**  trans-142.8138.4150.453.80000109.3
151Q41.1Very low54.2Low134 Ų134123.9 Ų123.963%0.62667%0.67SS**  trans-95.2133.7-171.1-66.2180-5.100111.1K153Q151-K153 HydrophobicContact CB-CG 4.16Å; Q151-K153 PolarHBondContact O-N 2.99Å
152D44Very low57Low177 Ų177119.8 Ų119.895%0.94765%0.653SS**  trans-66.784.5158.1-84.8-49.4000109.4
153K53.8Low59.2Low160 Ų160120.8 Ų120.870%0.69665%0.649SS**PPolyproline II helixtrans-87.7130.5163.1-68.4-169.3-179.5-174.90108.8Q151Q151-K153 HydrophobicContact CB-CG 4.16Å; Q151-K153 PolarHBondContact O-N 2.99Å
154P71.6Confident62.1Low65 Ų65118.7 Ų118.742%0.42263%0.633SS.*PPolyproline II helixtrans-62.6150.7171.727.7-33.8000110.2F158 T159P154-F158 HydrophobicContact CB-CD1 3.78Å; P154-F158 HydrophobicContact CB-CE1 4.34Å; P154-F158 HydrophobicContact CG-CD1 4.39Å; P154-T159 HydrophobicContact CG-CG2 3.87Å
155P84.1Confident64.4Low74 Ų74118 Ų11848%0.48162%0.618SS.*PPolyproline II helixtrans-55.8145.7-178.2-27.235.5000113.5W157 F158 T159P155-W157 HydrophobicContact CB-CG 4.4Å; P155-W157 PolarHBondContact O-N 2.83Å; P155-W157 VanDerWaalsContact O-N 3.08Å; P155-F158 WeakPolarHBondContact O-CA 3.41Å; P155-F158 WeakPolarHBondContact O-CB 3.5Å; P155-F158 PolarHBondContact O-N 2.8Å; P155-T159 PolarHBondContact O-N 2.88Å
156D78.6Confident67.1Low140 Ų140121.2 Ų121.275%0.74961%0.614SS**Hα-helixtrans-61.1-25.5-174.7-56.4-55.7000113.9F158 T159 S160D156-F158 VanDerWaalsContact C-N 3.31Å; D156-T159 WeakPolarHBondContact CA-OG1 3.46Å; D156-T159 PolarHBondContact O-OG1 3.37Å; D156-S160 VanDerWaalsContact O-CB 3.24Å; D156-S160 WeakPolarHBondContact O-CB 3.48Å; D156-S160 PolarHBondContact O-N 3.34Å
157W84.6Confident69.7Low180 Ų180120.6 Ų120.668%0.68261%0.607SS**Hα-helixtrans-68.8-31.2173.274.7-99.7000112.2P155 Y161P155-W157 HydrophobicContact CB-CG 4.4Å; P155-W157 PolarHBondContact O-N 2.83Å; P155-W157 VanDerWaalsContact O-N 3.08Å; W157-Y161 VanDerWaalsContact O-CB 3.25Å; W157-Y161 WeakPolarHBondContact O-CB 3.48Å; W157-Y161 PolarHBondContact O-N 3.48Å
158F76.6Confident72.2Confident81 Ų81120.8 Ų120.836%0.35560%0.599SS.*Hα-helixtrans-78.8-39-179.9179.5-94.8000111.2P154 P155 D156 Y161 L162P154-F158 HydrophobicContact CB-CD1 3.78Å; P154-F158 HydrophobicContact CB-CE1 4.34Å; P154-F158 HydrophobicContact CG-CD1 4.39Å; P155-F158 WeakPolarHBondContact O-CA 3.41Å; P155-F158 WeakPolarHBondContact O-CB 3.5Å; P155-F158 PolarHBondContact O-N 2.8Å; D156-F158 VanDerWaalsContact C-N 3.31Å; F158-Y161 PolarHBondContact O-N 2.84Å; F158-L162 HydrophobicContact CD1-CD1 3.95Å; F158-L162 HydrophobicContact CD1-CG 4.46Å; F158-L162 HydrophobicContact CE1-CD1 3.4Å; F158-L162 HydrophobicContact CE1-CG 4.17Å; F158-L162 HydrophobicContact CZ-CD1 3.8Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 WeakPolarHBondContact O-CG 3.47Å; F158-L162 PolarHBondContact O-N 3.43Å
159T84.6Confident75Confident61 Ų61116.6 Ų116.637%0.37458%0.578SS.*Hα-helixtrans-64.6-44.4171.453.70000110.9P154 P155 D156 Y161 L162 E163P154-T159 HydrophobicContact CG-CG2 3.87Å; P155-T159 PolarHBondContact O-N 2.88Å; D156-T159 WeakPolarHBondContact CA-OG1 3.46Å; D156-T159 PolarHBondContact O-OG1 3.37Å; T159-Y161 PolarHBondContact O-N 2.89Å; T159-L162 PolarHBondContact O-N 2.89Å; T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 PolarHBondContact O-N 2.81Å
160S81.4Confident77.3Confident62 Ų62112.5 Ų112.543%0.43456%0.564SS.*Hα-helixtrans-63.1-37.2174.4-175.90000113.1D156 E163 T164D156-S160 VanDerWaalsContact O-CB 3.24Å; D156-S160 WeakPolarHBondContact O-CB 3.48Å; D156-S160 PolarHBondContact O-N 3.34Å; S160-E163 PolarHBondContact O-N 2.78Å; S160-T164 WeakPolarHBondContact O-CG2 3.44Å; S160-T164 PolarHBondContact O-N 3.16Å; S160-T164 PolarHBondContact O-OG1 2.93Å
161Y88.9Confident80Confident135 Ų135112.4 Ų112.453%0.52955%0.548SS..Hα-helixtrans-65.3-44.6173.4177.9-101.9000112.2W157 F158 T159 E163 T164 F165W157-Y161 VanDerWaalsContact O-CB 3.25Å; W157-Y161 WeakPolarHBondContact O-CB 3.48Å; W157-Y161 PolarHBondContact O-N 3.48Å; F158-Y161 PolarHBondContact O-N 2.84Å; T159-Y161 PolarHBondContact O-N 2.89Å; Y161-E163 VanDerWaalsContact C-N 3.32Å; Y161-E163 PolarHBondContact O-N 3.32Å; Y161-T164 PolarHBondContact O-OG1 3.26Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; Y161-F165 VanDerWaalsContact O-CB 3.22Å; Y161-F165 WeakPolarHBondContact O-CB 3.45Å; Y161-F165 PolarHBondContact O-N 2.88Å
162L87.1Confident82.6Confident84 Ų84110.8 Ų110.844%0.4454%0.541SS..Hα-helixtrans-66.4-34175.4-72.2-179.3000112.6F158 T159 R166F158-L162 HydrophobicContact CD1-CD1 3.95Å; F158-L162 HydrophobicContact CD1-CG 4.46Å; F158-L162 HydrophobicContact CE1-CD1 3.4Å; F158-L162 HydrophobicContact CE1-CG 4.17Å; F158-L162 HydrophobicContact CZ-CD1 3.8Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 WeakPolarHBondContact O-CG 3.47Å; F158-L162 PolarHBondContact O-N 3.43Å; T159-L162 PolarHBondContact O-N 2.89Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.16Å
163E87.4Confident84.6Confident118 Ų118105.7 Ų105.755%0.55152%0.516SS*.Hα-helixtrans-68.5-49.5176.5-170.8157-118.800111.3T159 S160 Y161 F165 R166 E167T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 PolarHBondContact O-N 2.81Å; S160-E163 PolarHBondContact O-N 2.78Å; Y161-E163 VanDerWaalsContact C-N 3.32Å; Y161-E163 PolarHBondContact O-N 3.32Å; E163-F165 PolarHBondContact O-N 3.3Å; E163-R166 WeakPolarHBondContact O-CB 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; E163-E167 WeakPolarHBondContact O-CG 3.23Å; E163-E167 PolarHBondContact O-N 3.15Å
164T85.1Confident86.6Confident72 Ų72101.2 Ų101.244%0.44250%0.502SS..Hα-helixtrans-64.8-36.1175.150.20000113S160 Y161 E167 Q168S160-T164 WeakPolarHBondContact O-CG2 3.44Å; S160-T164 PolarHBondContact O-N 3.16Å; S160-T164 PolarHBondContact O-OG1 2.93Å; Y161-T164 PolarHBondContact O-OG1 3.26Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; T164-E167 PolarHBondContact O-N 3.45Å; T164-Q168 WeakPolarHBondContact O-CB 3.12Å; T164-Q168 PolarHBondContact O-N 3.09Å
165F88.6Confident87.6Confident105 Ų105103 Ų10346%0.46151%0.505SS..Hα-helixtrans-64.6-42.4171.4178.9-100000111.9Y161 E163 Q168 V169Y161-F165 VanDerWaalsContact O-CB 3.22Å; Y161-F165 WeakPolarHBondContact O-CB 3.45Å; Y161-F165 PolarHBondContact O-N 2.88Å; E163-F165 PolarHBondContact O-N 3.3Å; F165-Q168 PolarHBondContact O-N 3.4Å; F165-V169 HydrophobicContact CD1-CG2 4.36Å; F165-V169 HydrophobicContact CE1-CG2 3.91Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.8Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.12Å
166R84.9Confident87.8Confident180 Ų180104.8 Ų104.868%0.67951%0.505SS*.Hα-helixtrans-62.2-45.5174.7-180-174.2-178.4-160.31.3111.2L162 E163 Q168 V169 V170L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.16Å; E163-R166 WeakPolarHBondContact O-CB 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; R166-Q168 PolarHBondContact O-N 3Å; R166-V169 PolarHBondContact O-N 3.39Å; R166-V170 WeakPolarHBondContact O-CB 3.46Å; R166-V170 VanDerWaalsContact O-CG2 3.25Å; R166-V170 WeakPolarHBondContact O-CG2 3.38Å; R166-V170 PolarHBondContact O-N 2.98Å
167E92.3Very high88.1Confident129 Ų129103.8 Ų103.860%0.60350%0.499SS*.Hα-helixtrans-59.6-42.1173.4-73.4-175.2156.300111.7E163 T164 V170 K171E163-E167 WeakPolarHBondContact O-CG 3.23Å; E163-E167 PolarHBondContact O-N 3.15Å; T164-E167 PolarHBondContact O-N 3.45Å; E167-V170 PolarHBondContact O-N 3.18Å; E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 PolarHBondContact O-N 3.43Å
168Q90.1Very high88.3Confident138 Ų138101.3 Ų101.365%0.64550%0.495SS*.Hα-helixtrans-65.3-42.1178.2-173.7172.6-3.700112.4T164 F165 R166 K171 E172T164-Q168 WeakPolarHBondContact O-CB 3.12Å; T164-Q168 PolarHBondContact O-N 3.09Å; F165-Q168 PolarHBondContact O-N 3.4Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; R166-Q168 PolarHBondContact O-N 3Å; Q168-K171 PolarHBondContact O-N 2.78Å; Q168-E172 PolarHBondContact O-N 2.89Å
169V89.8Confident88.8Confident64 Ų64103.2 Ų103.239%0.38851%0.505SS..Hα-helixtrans-69.5-40.8176172.80000111.5F165 R166 K171 E172 T173F165-V169 HydrophobicContact CD1-CG2 4.36Å; F165-V169 HydrophobicContact CE1-CG2 3.91Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.8Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.12Å; R166-V169 PolarHBondContact O-N 3.39Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-E172 PolarHBondContact O-N 3.43Å; V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 WeakPolarHBondContact O-CG2 3.4Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.26Å
170V94.8Very high88.5Confident79 Ų79107.7 Ų107.748%0.47952%0.515SS..Hα-helixtrans-61.7-43.5173168.50000110.4R166 E167 T173 V174R166-V170 WeakPolarHBondContact O-CB 3.46Å; R166-V170 VanDerWaalsContact O-CG2 3.25Å; R166-V170 WeakPolarHBondContact O-CG2 3.38Å; R166-V170 PolarHBondContact O-N 2.98Å; E167-V170 PolarHBondContact O-N 3.18Å; V170-T173 WeakPolarHBondContact CA-OG1 3.45Å; V170-T173 PolarHBondContact O-N 3.29Å; V170-T173 PolarHBondContact O-OG1 3.16Å; V170-T173 VanDerWaalsContact O-OG1 3.05Å; V170-V174 HydrophobicContact CG1-CG2 4.44Å; V170-V174 WeakPolarHBondContact O-CB 3.42Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.81Å
171K91.3Very high88.5Confident123 Ų123110 Ų11054%0.53552%0.522SS..Hα-helixtrans-64.1-48.9177.1-178177.3172-178.60112.1E167 Q168 V169 T173 V174 E175E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 PolarHBondContact O-N 3.43Å; Q168-K171 PolarHBondContact O-N 2.78Å; V169-K171 VanDerWaalsContact C-N 3.33Å; K171-T173 VanDerWaalsContact C-N 3.32Å; K171-T173 PolarHBondContact O-N 3.36Å; K171-V174 PolarHBondContact O-N 3.07Å; K171-E175 WeakPolarHBondContact CE-OE1 3.26Å; K171-E175 HydrophobicContact CG-CG 4.3Å; K171-E175 IonicContact NZ-OE1 3.39Å; K171-E175 PolarHBondContact NZ-OE1 3.02Å; K171-E175 WeakPolarHBondContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CG 3.19Å; K171-E175 PolarHBondContact O-N 2.81Å
172E94.3Very high87.9Confident100 Ų100109.2 Ų109.247%0.46752%0.523SS..Hα-helixtrans-61.3-42.5178.2-164.4-153.2129.900110.9Q168 V169 K176Q168-E172 PolarHBondContact O-N 2.89Å; V169-E172 PolarHBondContact O-N 3.43Å; E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE1-NZ 3.39Å; E172-K176 PolarHBondContact OE1-NZ 3.07Å
173T87.8Confident87.2Confident69 Ų69108.9 Ų108.942%0.42352%0.519SS..Hα-helixtrans-67.6-36.1178.650.40000112.7V169 V170 K171 L177V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 WeakPolarHBondContact O-CG2 3.4Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.26Å; V170-T173 WeakPolarHBondContact CA-OG1 3.45Å; V170-T173 PolarHBondContact O-N 3.29Å; V170-T173 PolarHBondContact O-OG1 3.16Å; V170-T173 VanDerWaalsContact O-OG1 3.05Å; K171-T173 VanDerWaalsContact C-N 3.32Å; K171-T173 PolarHBondContact O-N 3.36Å; T173-L177 VanDerWaalsContact O-CB 3.28Å; T173-L177 WeakPolarHBondContact O-CB 3.31Å; T173-L177 WeakPolarHBondContact O-CD1 3.46Å; T173-L177 VanDerWaalsContact O-CG 3.25Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 2.96Å
174V94.8Very high86.4Confident67 Ų67110.5 Ų110.541%0.40652%0.524SS..Hα-helixtrans-67.4-51.2172169.90000111.4V170 K171 K176 L177 E178V170-V174 HydrophobicContact CG1-CG2 4.44Å; V170-V174 WeakPolarHBondContact O-CB 3.42Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.81Å; K171-V174 PolarHBondContact O-N 3.07Å; V174-K176 PolarHBondContact O-N 3.05Å; V174-L177 CarbonylContact O-C 3.58Å; V174-L177 PolarHBondContact O-N 3.33Å; V174-L177 VanDerWaalsContact O-N 3.09Å; V174-E178 HydrophobicContact CG1-CG 4.36Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.47Å
175E93.1Very high85.2Confident102 Ų102110.2 Ų110.248%0.47752%0.52SS..Hα-helixtrans-59.2-37178.2-73.1179.616000111.6K171 Q179K171-E175 WeakPolarHBondContact CE-OE1 3.26Å; K171-E175 HydrophobicContact CG-CG 4.3Å; K171-E175 IonicContact NZ-OE1 3.39Å; K171-E175 PolarHBondContact NZ-OE1 3.02Å; K171-E175 WeakPolarHBondContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CG 3.19Å; K171-E175 PolarHBondContact O-N 2.81Å; E175-Q179 VanDerWaalsContact O-CB 3.26Å; E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 PolarHBondContact O-N 3.46Å
176K86.9Confident83.3Confident111 Ų111110 Ų11048%0.48353%0.527SS..Hα-helixtrans-72.6-35.1176.2-169.7178.6-122.51590112.5E172 V174 R180E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE1-NZ 3.39Å; E172-K176 PolarHBondContact OE1-NZ 3.07Å; V174-K176 PolarHBondContact O-N 3.05Å; K176-R180 WeakPolarHBondContact O-CG 3.34Å; K176-R180 PolarHBondContact O-N 3.08Å
177L85.7Confident81.5Confident120 Ų120108.5 Ų108.563%0.62853%0.532SS*.Hα-helixtrans-68.5-46171.1-82.6165.6000111.3T173 V174 Q179 R180 L181T173-L177 VanDerWaalsContact O-CB 3.28Å; T173-L177 WeakPolarHBondContact O-CB 3.31Å; T173-L177 WeakPolarHBondContact O-CD1 3.46Å; T173-L177 VanDerWaalsContact O-CG 3.25Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 2.96Å; V174-L177 CarbonylContact O-C 3.58Å; V174-L177 PolarHBondContact O-N 3.33Å; V174-L177 VanDerWaalsContact O-N 3.09Å; L177-Q179 PolarHBondContact O-N 2.87Å; L177-R180 PolarHBondContact O-N 3.42Å; L177-L181 WeakPolarHBondContact O-CB 3.26Å; L177-L181 PolarHBondContact O-N 3.35Å
178E88.1Confident79.2Confident127 Ų127109.8 Ų109.859%0.59354%0.538SS*.Hα-helixtrans-59.7-44.4174.1-73.3-172.6165.700111.2V174 R180 L181 Q182V174-E178 HydrophobicContact CG1-CG 4.36Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.47Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-L181 PolarHBondContact O-N 3.37Å; E178-Q182 VanDerWaalsContact O-CB 3.26Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 PolarHBondContact O-N 3.44Å
179Q87.5Confident76.7Confident122 Ų122110.9 Ų110.957%0.5754%0.54SS*.Hα-helixtrans-59.5-44.6174.5-174176.614.500111.5E175 L177 Q182 E183E175-Q179 VanDerWaalsContact O-CB 3.26Å; E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 PolarHBondContact O-N 3.46Å; L177-Q179 PolarHBondContact O-N 2.87Å; Q179-Q182 PolarHBondContact O-N 3.03Å; Q179-E183 WeakPolarHBondContact O-CB 3.3Å; Q179-E183 VanDerWaalsContact O-CG 3.31Å; Q179-E183 WeakPolarHBondContact O-CG 3.43Å; Q179-E183 PolarHBondContact O-N 3.35Å
180R79.6Confident73.7Confident154 Ų154113.6 Ų113.658%0.58156%0.562SS**Hα-helixtrans-65-38.9175-74.5-54-165.4-155.7-2.5112.9K176 L177 E178 E183 K184K176-R180 WeakPolarHBondContact O-CG 3.34Å; K176-R180 PolarHBondContact O-N 3.08Å; L177-R180 PolarHBondContact O-N 3.42Å; E178-R180 PolarHBondContact O-N 2.89Å; R180-E183 WeakPolarHBondContact CD-OE2 3.39Å; R180-E183 IonicContact CZ-OE2 3.34Å; R180-E183 IonicContact NE-OE2 2.64Å; R180-E183 IonicContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact NH1-OE1 3.32Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.47Å; R180-E183 PolarHBondContact O-N 2.73Å; R180-K184 WeakPolarHBondContact O-CB 3.4Å; R180-K184 WeakPolarHBondContact O-CG 3.45Å; R180-K184 PolarHBondContact O-N 2.79Å
181L79.5Confident71.6Confident110 Ų110115.5 Ų115.558%0.57658%0.576SS**Hα-helixtrans-68-39.9178.2-145.3166.9000110.1L177 E178 K184 L185L177-L181 WeakPolarHBondContact O-CB 3.26Å; L177-L181 PolarHBondContact O-N 3.35Å; E178-L181 PolarHBondContact O-N 3.37Å; L181-K184 PolarHBondContact O-N 3.37Å; L181-L185 HydrophobicContact CD2-CD1 3.54Å; L181-L185 HydrophobicContact CD2-CG 3.94Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.24Å
182Q76.2Confident68.6Low120 Ų120118.3 Ų118.356%0.56160%0.596SS**Hα-helixtrans-68.2-41.3175.4-161.775.8-39.600112.2E178 Q179 K184 L185 V186E178-Q182 VanDerWaalsContact O-CB 3.26Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 PolarHBondContact O-N 3.44Å; Q179-Q182 PolarHBondContact O-N 3.03Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 2.93Å; Q182-L185 PolarHBondContact O-N 3.39Å; Q182-V186 WeakPolarHBondContact O-CB 3.39Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.36Å; Q182-V186 PolarHBondContact O-N 3.33Å
183E74.1Confident65.2Low77 Ų77118.8 Ų118.836%0.3661%0.609SS.*Hα-helixtrans-57.1-43170.4-78.5174.4177.700111.7Q179 R180 L187Q179-E183 WeakPolarHBondContact O-CB 3.3Å; Q179-E183 VanDerWaalsContact O-CG 3.31Å; Q179-E183 WeakPolarHBondContact O-CG 3.43Å; Q179-E183 PolarHBondContact O-N 3.35Å; R180-E183 WeakPolarHBondContact CD-OE2 3.39Å; R180-E183 IonicContact CZ-OE2 3.34Å; R180-E183 IonicContact NE-OE2 2.64Å; R180-E183 IonicContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact NH1-OE1 3.32Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.47Å; R180-E183 PolarHBondContact O-N 2.73Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3Å
184K70.6Confident62.4Low151 Ų151121.1 Ų121.166%0.65763%0.628SS**Hα-helixtrans-67.9-40.4177-68.5-73.9-1801770112.3R180 L181 Q182 L187 Q188R180-K184 WeakPolarHBondContact O-CB 3.4Å; R180-K184 WeakPolarHBondContact O-CG 3.45Å; R180-K184 PolarHBondContact O-N 2.79Å; L181-K184 PolarHBondContact O-N 3.37Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 2.93Å; K184-L187 PolarHBondContact O-N 3.49Å; K184-Q188 PolarHBondContact O-N 2.97Å; K184-Q188 VanDerWaalsContact O-N 3.17Å
185L59.3Low59.4Low67 Ų67123.2 Ų123.235%0.35165%0.646SS.*Hα-helixtrans-67.4-36.8175.9-77.6167.6000112.8L181 Q182 Q188 K189L181-L185 HydrophobicContact CD2-CD1 3.54Å; L181-L185 HydrophobicContact CD2-CG 3.94Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.24Å; Q182-L185 PolarHBondContact O-N 3.39Å; L185-Q188 PolarHBondContact O-N 3.26Å; L185-K189 PolarHBondContact O-N 2.99Å
186V47.8Very low57.1Low100 Ų100123.6 Ų123.661%0.60666%0.658SS**Hα-helixtrans-68.4-41.9174.6168.80000110.8Q182 Q188 K189Q182-V186 WeakPolarHBondContact O-CB 3.39Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.36Å; Q182-V186 PolarHBondContact O-N 3.33Å; V186-Q188 PolarHBondContact O-N 2.94Å; V186-K189 PolarHBondContact O-N 2.91Å; V186-K189 VanDerWaalsContact O-N 3.15Å
187L47.7Very low54.3Low149 Ų149123 Ų12378%0.7867%0.667SS**Hα-helixtrans-61.6-19.8171.2-85.7165.3000113.6E183 K184E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3Å; K184-L187 PolarHBondContact O-N 3.49Å
188Q44.7Very low51.6Low155 Ų155125.8 Ų125.872%0.72468%0.677SS**THydrogen-bonded Turntrans-94.6-1.2178.2-142.2178.128.500113.9K184 L185 V186K184-Q188 PolarHBondContact O-N 2.97Å; K184-Q188 VanDerWaalsContact O-N 3.17Å; L185-Q188 PolarHBondContact O-N 3.26Å; V186-Q188 PolarHBondContact O-N 2.94Å
189K38.2Very low48.7Very low161 Ų161125.7 Ų125.770%0.769%0.685SS**  trans-138.898.6-176.6-71-175.3-179.9174.20113.9L185 V186L185-K189 PolarHBondContact O-N 2.99Å; V186-K189 PolarHBondContact O-N 2.91Å; V186-K189 VanDerWaalsContact O-N 3.15Å
190S26.4Very low45.8Very low122 Ų122125.2 Ų125.285%0.85370%0.695SS**  trans-148.5153.2155-88.50000110.5
191P49.8Very low43.2Very low119 Ų119126 Ų12677%0.77371%0.707SS**  -114.8156.7-122.838.5-35.3000116.1
192L28.5Very low41.5Very low181 Ų181126 Ų12695%0.94871%0.714SS**  trans-150.6162139.9-105.9168.1000109.8
193C22.8Very low39.1Very low111 Ų111127.2 Ų127.275%0.7573%0.729SS**  trans-102.2165.8-142.4-158.60000117.2
194S29.8Very low37.1Very low117 Ų117128.9 Ų128.982%0.81875%0.749SS**  trans77.8159.9153.942.50000120.7
195S30.5Very low35.3Very low112 Ų112130.9 Ų130.978%0.78376%0.761SS**  trans-147.1-171.8-15964.70000109.9
196P45.1Very low34.1Very low110 Ų110136.6 Ų136.671%0.71479%0.786SS**  cis-137.1-168.2041-21000115.9
197S29.1Very low33.3Very low97 Ų97137.9 Ų137.968%0.67879%0.794SS**  trans102.5105.9150.6-64.20000121.7
198E29Very low32.3Very low179 Ų179138.6 Ų138.684%0.83679%0.794SS**  82.4131.9123.3-76.2-170.8148.800124.5
199V26.4Very low31.8Very low126 Ų126141.7 Ų141.776%0.76481%0.805SS**  trans89112.6144.81710000120.8
200S27.7Very low31.5Very low112 Ų112139.2 Ų139.278%0.78380%0.803SS**  trans80.2147.3148.2-70.60000123.3
201M25.1Very low31.9Very low171 Ų171141.3 Ų141.384%0.84280%0.799SS**  trans-134.1172.3170.4-70.4-96.381.200107.1
202P43.4Very low31.5Very low110 Ų110144.6 Ų144.671%0.71481%0.805SS**  cis-124.1176.7-35.236.5-22.2000111.5
203V26.1Very low32.5Very low145 Ų145140.6 Ų140.688%0.87978%0.784SS**  trans-136.4146.7162.7176.90000109.6
204S30.4Very low34.1Very low112 Ų112142.5 Ų142.578%0.78378%0.782SS**  trans-47.3146.8-166.6-44.10000118.3
205E33Very low36Very low192 Ų192141 Ų14190%0.89776%0.761SS**  trans-75.4139.1147.5-61.7177.5124.600109.8
206E33.8Very low38.3Very low187 Ų187138 Ų13887%0.87474%0.739SS**  trans-159.4150.3142.1-139.4173.9-172.200111.6
207T32Very low39.8Very low127 Ų127133.9 Ų133.978%0.77971%0.71SS**  trans87.5141.4171.8-18.70000119.1
208Q26.1Very low42.2Very low165 Ų165135.9 Ų135.977%0.77171%0.708SS**  trans9372.5161.6-53.6-164.83.800119.5V210Q208-V210 PolarHBondContact O-N 3.33Å; Q208-V210 VanDerWaalsContact O-N 3.14Å
209F34.1Very low44.8Very low219 Ų219130.3 Ų130.396%0.96168%0.684SS**  trans-49.8101136.6-115.8-101.8000111
210V31.3Very low47.9Very low109 Ų109126.9 Ų126.966%0.66167%0.668SS**  trans-148.7100.5156.3-175.60000111.8Q208Q208-V210 PolarHBondContact O-N 3.33Å; Q208-V210 VanDerWaalsContact O-N 3.14Å
211Q35.9Very low50.9Low167 Ų167121.7 Ų121.778%0.7863%0.632SS**  trans45.294.2139.4-157.7171.919.300119.7N213Q211-N213 PolarHBondContact O-N 3.16Å; Q211-N213 VanDerWaalsContact O-N 3.13Å
212E40.8Very low54Low188 Ų188116 Ų11688%0.87961%0.609SS**SBendtrans-64.1106.4162.9-65.5-173.5115.800111.7
213N50.1Low56Low96 Ų96114.8 Ų114.851%0.51359%0.594SS.*  trans-172.626152.9-107.2-84000113.3Q211 F215Q211-N213 PolarHBondContact O-N 3.16Å; Q211-N213 VanDerWaalsContact O-N 3.13Å; N213-F215 WeakPolarHBondContact O-CD2 3.34Å; N213-F215 PolarHBondContact O-N 2.86Å; N213-F215 WeakPolarHBondContact OD1-CE2 3.44Å
214Q56.8Low59Low152 Ų152109.9 Ų109.971%0.7157%0.566SS**  trans-78.990.4-177.3-75-164.712.100113.5I229Q214-I229 HydrophobicContact CB-CG2 3.77Å; Q214-I229 HydrophobicContact CG-CG2 4.14Å
215F69.3Low61.7Low85 Ų85112.4 Ų112.437%0.37357%0.565SS.*  trans-80.2127170-62.4-78.1000111.6N213 I229 G230 R265N213-F215 WeakPolarHBondContact O-CD2 3.34Å; N213-F215 PolarHBondContact O-N 2.86Å; N213-F215 WeakPolarHBondContact OD1-CE2 3.44Å; F215-I229 CarbonylContact O-C 3.48Å; F215-I229 WeakPolarHBondContact O-CA 3.5Å; F215-G230 PolarHBondContact O-N 2.94Å; F215-R265 HydrophobicContact CD2-CG 4.39Å; F215-R265 HydrophobicContact CE2-CG 4.18Å
216S77.9Confident64.3Low48 Ų48110.3 Ų110.334%0.33655%0.553SS.*EExtended strand (participates in β ladder)trans-81.2125.1170.11570000110.2H218S216-H218 PolarHBondContact O-CD2 2.8Å; S216-H218 PolarHBondContact OG-CD2 3.47Å; S216-H218 PolarHBondContact OG-NE2 2.82Å
217W77.8Confident66.9Low24 Ų24107.8 Ų107.89%0.09154%0.535CS..EExtended strand (participates in β ladder)trans-86-7.2-179.2-75.185.3000114.6I219 I228 G230 R232 L263 R265 P266W217-I219 PolarHBondContact O-N 2.84Å; W217-I228 HydrophobicContact CB-CB 4.23Å; W217-I228 HydrophobicContact CG-CG2 4.36Å; W217-I228 PolarHBondContact N-O 3.16Å; W217-G230 PolarHBondContact NE1-O 3.45Å; W217-R232 HydrophobicContact CD2-CB 3.71Å; W217-R232 HydrophobicContact CD2-CG 4.33Å; W217-R232 HydrophobicContact CE3-CB 4.25Å; W217-R232 HydrophobicContact CE3-CG 4.48Å; W217-R232 HydrophobicContact CG-CB 4.01Å; W217-R232 HydrophobicContact CH2-CB 4.38Å; W217-R232 HydrophobicContact CZ2-CB 3.91Å; W217-L263 HydrophobicContact CH2-CB 3.64Å; W217-L263 HydrophobicContact CH2-CD1 4.38Å; W217-L263 HydrophobicContact CZ2-CB 4Å; W217-L263 WeakPolarHBondContact CZ2-O 3.35Å; W217-L263 HydrophobicContact CZ3-CB 4.5Å; W217-L263 HydrophobicContact CZ3-CD1 4.5Å; W217-R265 VanDerWaalsContact CH2-O 3.25Å; W217-R265 WeakPolarHBondContact CH2-O 3.48Å; W217-R265 VanDerWaalsContact CZ2-C 3.48Å; W217-P266 HydrophobicContact CD2-CG 4.22Å; W217-P266 HydrophobicContact CE3-CB 4.41Å; W217-P266 HydrophobicContact CE3-CG 4.09Å; W217-P266 VanDerWaalsContact CH2-CA 3.5Å; W217-P266 HydrophobicContact CH2-CB 4.35Å; W217-P266 HydrophobicContact CH2-CG 4.19Å; W217-P266 HydrophobicContact CZ2-CG 4.26Å; W217-P266 HydrophobicContact CZ3-CB 4.09Å; W217-P266 HydrophobicContact CZ3-CG 4.1Å
218H78.9Confident69.6Low140 Ų140101.7 Ų101.765%0.64850%0.498SS*.EExtended strand (participates in β ladder)trans58.8-2.9-173-68.9-119.6000115.7S216 R227S216-H218 PolarHBondContact O-CD2 2.8Å; S216-H218 PolarHBondContact OG-CD2 3.47Å; S216-H218 PolarHBondContact OG-NE2 2.82Å; H218-R227 PolarHBondContact ND1-NH1 2.97Å
219I84.7Confident72.3Confident62 Ų6297.9 Ų97.932%0.31848%0.482SS..EExtended strand (participates in β ladder)trans-98147.6177.3-67.2164.8000109.6W217 R227 I228 N242W217-I219 PolarHBondContact O-N 2.84Å; I219-R227 WeakPolarHBondContact O-CA 3.49Å; I219-I228 HydrophobicContact CG2-CD1 4.45Å; I219-I228 PolarHBondContact O-N 3.27Å; I219-N242 HydrophobicContact CG2-CB 4.23Å
220A90.3Very high74.8Confident54 Ų5488.3 Ų88.345%0.44645%0.445SS..EExtended strand (participates in β ladder)trans-90.5147.5174.800000112K226A220-K226 CarbonylContact C-O 3.51Å; A220-K226 WeakPolarHBondContact CA-O 3.15Å
221C91.1Very high77.5Confident2 Ų284 Ų841%0.01442%0.419CS..PPolyproline II helixtrans-70.9128.7169.91740000110.3Q223 C224 Q225 K226 I228 N242 C247C221-Q223 PolarHBondContact O-N 3.04Å; C221-Q223 PolarHBondContact SG-N 3.01Å; C221-C224 VanDerWaalsContact CB-SG 3.55Å; C221-C224 PolarHBondContact SG-N 2.84Å; C221-C224 VanDerWaalsContact SG-SG 3.6Å; C221-Q225 WeakPolarHBondContact O-CA 3.42Å; C221-Q225 PolarHBondContact O-N 2.95Å; C221-K226 PolarHBondContact N-O 2.83Å; C221-I228 HydrophobicContact CB-CD1 4.45Å; C221-I228 HydrophobicContact CB-CG1 4.04Å; C221-N242 CarbonylContact C-O 3.48Å; C221-N242 WeakPolarHBondContact CA-O 3.47Å; C221-C247 VanDerWaalsContact SG-SG 3.67Å
222S90.3Very high80.1Confident51 Ų5177.4 Ų77.436%0.35739%0.387SS..THydrogen-bonded Turntrans-59.9-32.5178.6-56.70000112.8N242S222-N242 PolarHBondContact N-O 3.07Å; S222-N242 PolarHBondContact OG-N 2.81Å; S222-N242 VanDerWaalsContact OG-N 3.08Å; S222-N242 PolarHBondContact OG-O 2.68Å
223Q86.4Confident82.4Confident85 Ų8568.8 Ų68.840%0.39735%0.346SS..THydrogen-bonded Turntrans-84.5-52.4-178.1-173.170-1800112.5C221 I243 C247 P251C221-Q223 PolarHBondContact O-N 3.04Å; C221-Q223 PolarHBondContact SG-N 3.01Å; Q223-I243 HydrophobicContact CB-CG2 4.37Å; Q223-C247 HydrophobicContact CB-CB 4.29Å; Q223-P251 PolarHBondContact NE2-O 3.49Å
224C88.5Confident84.3Confident43 Ų4366.5 Ų66.529%0.29133%0.333SS..THydrogen-bonded Turntrans-103-1.4-173.877.20000115.2C221 K226C221-C224 VanDerWaalsContact CB-SG 3.55Å; C221-C224 PolarHBondContact SG-N 2.84Å; C221-C224 VanDerWaalsContact SG-SG 3.6Å; C224-K226 PolarHBondContact O-N 3.03Å
225Q87.6Confident85.9Confident164 Ų16459.3 Ų59.377%0.76630%0.299SS*.  trans58.4-6.1179.9-56.1-176.611.900116.8C221C221-Q225 WeakPolarHBondContact O-CA 3.42Å; C221-Q225 PolarHBondContact O-N 2.95Å
226K87.3Confident86.7Confident148 Ų14858.1 Ų58.164%0.64330%0.301SS*.SBendtrans-64.9152.1170.5-59175.3-173.8173.40110.9A220 C221 C224A220-K226 CarbonylContact C-O 3.51Å; A220-K226 WeakPolarHBondContact CA-O 3.15Å; C221-K226 PolarHBondContact N-O 2.83Å; C224-K226 PolarHBondContact O-N 3.03Å
227R88.8Confident87Confident134 Ų13461.2 Ų61.251%0.50631%0.313SS..EExtended strand (participates in β ladder)trans-64.1133.2170.9-177.1173.4-64.1-142.5-2.9110.1H218 I219 I229H218-R227 PolarHBondContact ND1-NH1 2.97Å; I219-R227 WeakPolarHBondContact O-CA 3.49Å; R227-I229 PolarHBondContact O-N 3.35Å
228I87.3Confident87.3Confident0 Ų061.8 Ų61.80%032%0.321CS..EExtended strand (participates in β ladder)trans-73.9125.1176.8-54.1175.5000109.1W217 I219 C221 V231 R232 N242 C244W217-I228 HydrophobicContact CB-CB 4.23Å; W217-I228 HydrophobicContact CG-CG2 4.36Å; W217-I228 PolarHBondContact N-O 3.16Å; I219-I228 HydrophobicContact CG2-CD1 4.45Å; I219-I228 PolarHBondContact O-N 3.27Å; C221-I228 HydrophobicContact CB-CD1 4.45Å; C221-I228 HydrophobicContact CB-CG1 4.04Å; I228-V231 WeakPolarHBondContact CG2-O 3.33Å; I228-R232 HydrophobicContact CD1-CG 4.01Å; I228-R232 HydrophobicContact CG2-CB 3.89Å; I228-N242 HydrophobicContact CD1-CB 4.06Å; I228-C244 HydrophobicContact CB-CB 4.48Å; I228-C244 HydrophobicContact CG1-CB 4.18Å; I228-C244 HydrophobicContact CG2-CB 4.04Å
229I84.1Confident87.3Confident85 Ų8559.8 Ų59.844%0.43632%0.32SS..EExtended strand (participates in β ladder)trans-129.1139.4176.9-58.4174.2000106.7Q214 F215 R227Q214-I229 HydrophobicContact CB-CG2 3.77Å; Q214-I229 HydrophobicContact CG-CG2 4.14Å; F215-I229 CarbonylContact O-C 3.48Å; F215-I229 WeakPolarHBondContact O-CA 3.5Å; R227-I229 PolarHBondContact O-N 3.35Å
230G85.7Confident87.2Confident18 Ų1861.7 Ų61.719%0.18634%0.339CS..SBendtrans83.5-121.5-172.600000111F215 W217F215-G230 PolarHBondContact O-N 2.94Å; W217-G230 PolarHBondContact NE1-O 3.45Å
231V87.4Confident87.1Confident18 Ų1860.5 Ų60.511%0.10932%0.323CS..  trans-90.5136-177.8-170.70000112I228 Y233 E245 K262 L263 R264I228-V231 WeakPolarHBondContact CG2-O 3.33Å; V231-Y233 HydrophobicContact CB-CE2 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 4.32Å; V231-Y233 HydrophobicContact CG1-CE2 3.99Å; V231-E245 HydrophobicContact CB-CB 4.49Å; V231-E245 WeakPolarHBondContact CB-OE2 3.25Å; V231-E245 VanDerWaalsContact CG2-OE2 3.26Å; V231-E245 WeakPolarHBondContact CG2-OE2 3.45Å; V231-K262 HydrophobicContact CG1-CD 4.25Å; V231-K262 HydrophobicContact CG1-CG 3.52Å; V231-L263 WeakPolarHBondContact CG1-O 3.28Å; V231-R264 HydrophobicContact CG1-CG 4.18Å; V231-R264 HydrophobicContact CG2-CG 4.23Å
232R90.3Very high87.1Confident28 Ų2860.8 Ų60.811%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-107.6132.7173.5172.9-179.7172.1-143.7-3.6109.6W217 I228 Q234 N242 L263W217-R232 HydrophobicContact CD2-CB 3.71Å; W217-R232 HydrophobicContact CD2-CG 4.33Å; W217-R232 HydrophobicContact CE3-CB 4.25Å; W217-R232 HydrophobicContact CE3-CG 4.48Å; W217-R232 HydrophobicContact CG-CB 4.01Å; W217-R232 HydrophobicContact CH2-CB 4.38Å; W217-R232 HydrophobicContact CZ2-CB 3.91Å; I228-R232 HydrophobicContact CD1-CG 4.01Å; I228-R232 HydrophobicContact CG2-CB 3.89Å; R232-Q234 VanDerWaalsContact CZ-OE1 3.31Å; R232-N242 PolarHBondContact NE-OD1 2.89Å; R232-N242 PolarHBondContact NH2-OD1 3.12Å; R232-L263 HydrophobicContact CB-CB 4.41Å; R232-L263 PolarHBondContact N-O 3.16Å; R232-L263 WeakPolarHBondContact O-CA 3.42Å; R232-L263 WeakPolarHBondContact O-CB 3.48Å; R232-L263 PolarHBondContact O-N 2.82Å
233Y90.2Very high87.2Confident7 Ų758.3 Ų58.33%0.02731%0.308CS..EExtended strand (participates in β ladder)trans-104127.3167.2-67.8-107000108.2V231 N242 I243 E245 E248 L260 L261 K262V231-Y233 HydrophobicContact CB-CE2 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 4.32Å; V231-Y233 HydrophobicContact CG1-CE2 3.99Å; Y233-N242 CarbonylContact O-C 3.51Å; Y233-N242 VanDerWaalsContact O-CA 3.26Å; Y233-N242 WeakPolarHBondContact O-CA 3.36Å; Y233-I243 PolarHBondContact N-O 2.89Å; Y233-I243 PolarHBondContact O-N 3.09Å; Y233-E245 HydrophobicContact CE2-CB 4.22Å; Y233-E245 HydrophobicContact CE2-CG 4.24Å; Y233-E248 HydrophobicContact CD1-CB 4.25Å; Y233-E248 HydrophobicContact CD1-CG 3.75Å; Y233-E248 HydrophobicContact CD2-CB 3.99Å; Y233-E248 HydrophobicContact CD2-CG 4.38Å; Y233-E248 HydrophobicContact CE1-CB 4.13Å; Y233-E248 HydrophobicContact CE1-CG 3.49Å; Y233-E248 VanDerWaalsContact CE1-CG 3.49Å; Y233-E248 WeakPolarHBondContact CE1-OE1 3.41Å; Y233-E248 HydrophobicContact CE2-CB 3.92Å; Y233-E248 HydrophobicContact CE2-CG 4.21Å; Y233-E248 HydrophobicContact CG-CB 4.13Å; Y233-E248 HydrophobicContact CG-CG 4.15Å; Y233-E248 PolarHBondContact OH-OE1 3.13Å; Y233-E248 PolarHBondContact OH-OE2 2.95Å; Y233-L260 HydrophobicContact CD1-CB 4.25Å; Y233-L261 WeakPolarHBondContact CA-O 3.45Å; Y233-K262 HydrophobicContact CD1-CB 4.02Å; Y233-K262 HydrophobicContact CD1-CG 4.22Å; Y233-K262 HydrophobicContact CE1-CB 3.76Å; Y233-K262 HydrophobicContact CE1-CD 3.72Å; Y233-K262 HydrophobicContact CE1-CG 3.68Å; Y233-K262 HydrophobicContact CE2-CD 4.26Å; Y233-K262 HydrophobicContact CE2-CG 4.13Å; Y233-K262 VanDerWaalsContact CZ-CD 3.48Å; Y233-K262 VanDerWaalsContact OH-CD 3.31Å; Y233-K262 WeakPolarHBondContact OH-CD 3.45Å; Y233-K262 WeakPolarHBondContact OH-CE 3.33Å; Y233-K262 PolarHBondContact OH-NZ 3.32Å
234Q90.2Very high87.4Confident49 Ų4954.6 Ų54.623%0.22929%0.291CS..EExtended strand (participates in β ladder)trans-119.5133.8177.2178.4177.7-1800109R232 N242 L261 L263R232-Q234 VanDerWaalsContact CZ-OE1 3.31Å; Q234-N242 WeakPolarHBondContact CB-OD1 3.36Å; Q234-N242 WeakPolarHBondContact CG-OD1 3.22Å; Q234-L261 PolarHBondContact N-O 3.26Å; Q234-L261 VanDerWaalsContact N-O 3.12Å; Q234-L261 PolarHBondContact O-N 3.17Å; Q234-L263 HydrophobicContact CB-CD1 3.96Å
235C89.9Confident87.5Confident1 Ų156.2 Ų56.21%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-66.5135.2173.5177.20000111.3L237 C238 Y241 H254 L260C235-L237 VanDerWaalsContact C-N 3.33Å; C235-L237 PolarHBondContact SG-N 3.48Å; C235-C238 HydrophobicContact CB-CB 3.91Å; C235-C238 PolarHBondContact SG-N 3.4Å; C235-Y241 HydrophobicContact CB-CD1 4.3Å; C235-Y241 PolarHBondContact N-O 2.9Å; C235-Y241 VanDerWaalsContact N-O 3.11Å; C235-H254 PolarHBondContact SG-NE2 3.49Å; C235-L260 HydrophobicContact CB-CD2 4Å
236S85.8Confident87.5Confident60 Ų6054.7 Ų54.742%0.4229%0.291SS..SBendtrans-63.6-36.717557.50000112.8I259S236-I259 PolarHBondContact N-O 3.38Å; S236-I259 PolarHBondContact OG-O 3.19Å; S236-I259 VanDerWaalsContact OG-O 3.14Å
237L83.6Confident87.6Confident112 Ų11248.4 Ų48.459%0.58627%0.265SS*.SBendtrans-95.1-21.8-175.7-64.4171.4000113.7C235 H258C235-L237 VanDerWaalsContact C-N 3.33Å; C235-L237 PolarHBondContact SG-N 3.48Å; L237-H258 VanDerWaalsContact CD1-CD2 3.42Å; L237-H258 WeakPolarHBondContact CD1-CD2 3.5Å
238C85.1Confident87.5Confident36 Ų3645.6 Ų45.624%0.24326%0.258CS..  trans-120.992-177.9-730000111.1C235 S240 Y241 H258C235-C238 HydrophobicContact CB-CB 3.91Å; C235-C238 PolarHBondContact SG-N 3.4Å; C238-S240 PolarHBondContact O-N 3.47Å; C238-Y241 PolarHBondContact O-N 3.17Å; C238-H258 VanDerWaalsContact SG-CE1 3.54Å
239P78.5Confident87.3Confident99 Ų9949.8 Ų49.864%0.64329%0.293SS*.THydrogen-bonded Turntrans-56.8-29.7-174.4-2835.5000115.1N242P239-N242 PolarHBondContact O-ND2 3.14Å
240S82.3Confident87.1Confident102 Ų10247.1 Ų47.171%0.71329%0.286SS*.THydrogen-bonded Turntrans-82.6-18.9177.3530000114.1C238 N242C238-S240 PolarHBondContact O-N 3.47Å; S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 PolarHBondContact O-ND2 2.89Å
241Y88.9Confident86.5Confident29 Ų2952.3 Ų52.311%0.11432%0.317CS..  trans-84.3117.8-177.8-164.3-85.9000111.3C235 C238 I243 A253 H254 L260C235-Y241 HydrophobicContact CB-CD1 4.3Å; C235-Y241 PolarHBondContact N-O 2.9Å; C235-Y241 VanDerWaalsContact N-O 3.11Å; C238-Y241 PolarHBondContact O-N 3.17Å; Y241-I243 HydrophobicContact CE1-CG2 3.73Å; Y241-A253 WeakPolarHBondContact CE2-O 3.37Å; Y241-A253 VanDerWaalsContact OH-C 3.31Å; Y241-A253 PolarHBondContact OH-O 2.86Å; Y241-H254 AromaticContact CD1-CD2 3.74Å; Y241-H254 AromaticContact CD1-CG 3.93Å; Y241-H254 AromaticContact CD1-NE2 3.85Å; Y241-H254 AromaticContact CD2-CE1 3.76Å; Y241-H254 AromaticContact CD2-ND1 3.64Å; Y241-H254 HydrophobicContact CE1-CB 3.89Å; Y241-H254 AromaticContact CE1-CD2 3.92Å; Y241-H254 AromaticContact CE1-CG 3.76Å; Y241-H254 HydrophobicContact CE2-CB 4.22Å; Y241-H254 AromaticContact CE2-CG 3.99Å; Y241-H254 AromaticContact CE2-ND1 3.7Å; Y241-H254 AromaticContact CG-CE1 3.64Å; Y241-H254 AromaticContact CG-ND1 3.86Å; Y241-H254 AromaticContact CG-NE2 3.78Å; Y241-H254 AromaticContact CZ-CG 3.79Å; Y241-H254 AromaticContact CZ-ND1 4Å; Y241-L260 HydrophobicContact CD1-CD2 4.49Å
242N91.3Very high86.1Confident7 Ų755.1 Ų55.14%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-145.3130.1-169.7-69.6-88000110.2I219 C221 S222 I228 R232 Y233 Q234 P239 S240I219-N242 HydrophobicContact CG2-CB 4.23Å; C221-N242 CarbonylContact C-O 3.48Å; C221-N242 WeakPolarHBondContact CA-O 3.47Å; S222-N242 PolarHBondContact N-O 3.07Å; S222-N242 PolarHBondContact OG-N 2.81Å; S222-N242 VanDerWaalsContact OG-N 3.08Å; S222-N242 PolarHBondContact OG-O 2.68Å; I228-N242 HydrophobicContact CD1-CB 4.06Å; R232-N242 PolarHBondContact NE-OD1 2.89Å; R232-N242 PolarHBondContact NH2-OD1 3.12Å; Y233-N242 CarbonylContact O-C 3.51Å; Y233-N242 VanDerWaalsContact O-CA 3.26Å; Y233-N242 WeakPolarHBondContact O-CA 3.36Å; Q234-N242 WeakPolarHBondContact CB-OD1 3.36Å; Q234-N242 WeakPolarHBondContact CG-OD1 3.22Å; P239-N242 PolarHBondContact O-ND2 3.14Å; S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 PolarHBondContact O-ND2 2.89Å
243I92.3Very high85.2Confident0 Ų057.2 Ų57.20%035%0.349CS..EExtended strand (participates in β ladder)trans-127.2152.1177.165.9-178.2000112.1Q223 Y233 Y241 C247 E248 Y252 L260Q223-I243 HydrophobicContact CB-CG2 4.37Å; Y233-I243 PolarHBondContact N-O 2.89Å; Y233-I243 PolarHBondContact O-N 3.09Å; Y241-I243 HydrophobicContact CE1-CG2 3.73Å; I243-C247 HydrophobicContact CB-CB 4Å; I243-E248 HydrophobicContact CD1-CB 3.81Å; I243-E248 HydrophobicContact CD1-CG 4.43Å; I243-E248 HydrophobicContact CG1-CB 4.22Å; I243-Y252 HydrophobicContact CD1-CD1 3.65Å; I243-Y252 HydrophobicContact CD1-CD2 4.36Å; I243-Y252 HydrophobicContact CD1-CE1 4.12Å; I243-Y252 HydrophobicContact CD1-CG 3.78Å; I243-L260 HydrophobicContact CD1-CD1 3.58Å; I243-L260 HydrophobicContact CG1-CD1 4.24Å
244C91.1Very high84.8Confident6 Ų659.2 Ų59.24%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-82.1165.3170.459.70000110.7I228 D246 C247 E248I228-C244 HydrophobicContact CB-CB 4.48Å; I228-C244 HydrophobicContact CG1-CB 4.18Å; I228-C244 HydrophobicContact CG2-CB 4.04Å; C244-D246 VanDerWaalsContact C-N 3.28Å; C244-D246 PolarHBondContact O-N 3.47Å; C244-C247 WeakPolarHBondContact O-CA 3.34Å; C244-C247 PolarHBondContact O-N 2.89Å; C244-E248 PolarHBondContact O-N 2.82Å
245E89.9Confident84.3Confident78 Ų7860.6 Ų60.636%0.36437%0.368SS..Hα-helixtrans-54.2-41.1178.6-160.4148.4-139.100112.6V231 Y233 C247 E248 A249 K262V231-E245 HydrophobicContact CB-CB 4.49Å; V231-E245 WeakPolarHBondContact CB-OE2 3.25Å; V231-E245 VanDerWaalsContact CG2-OE2 3.26Å; V231-E245 WeakPolarHBondContact CG2-OE2 3.45Å; Y233-E245 HydrophobicContact CE2-CB 4.22Å; Y233-E245 HydrophobicContact CE2-CG 4.24Å; E245-C247 PolarHBondContact O-N 3.42Å; E245-C247 VanDerWaalsContact O-N 3.15Å; E245-E248 PolarHBondContact O-N 3.28Å; E245-A249 PolarHBondContact O-N 3.26Å; E245-A249 VanDerWaalsContact O-N 3.12Å; E245-K262 WeakPolarHBondContact OE1-CE 3.4Å; E245-K262 IonicContact OE1-NZ 2.68Å; E245-K262 PolarHBondContact OE1-NZ 3.45Å
246D87.5Confident83.7Confident131 Ų13167.9 Ų67.970%0.70141%0.407SS*.Hα-helixtrans-60-25.2174.6-38.9-58.4000114.2C244C244-D246 VanDerWaalsContact C-N 3.28Å; C244-D246 PolarHBondContact O-N 3.47Å
247C88.6Confident83.4Confident16 Ų1671.4 Ų71.411%0.10842%0.421CS..Hα-helixtrans-100.2-15.7-177.7-710000113.1C221 Q223 I243 C244 E245 Y252C221-C247 VanDerWaalsContact SG-SG 3.67Å; Q223-C247 HydrophobicContact CB-CB 4.29Å; I243-C247 HydrophobicContact CB-CB 4Å; C244-C247 WeakPolarHBondContact O-CA 3.34Å; C244-C247 PolarHBondContact O-N 2.89Å; E245-C247 PolarHBondContact O-N 3.42Å; E245-C247 VanDerWaalsContact O-N 3.15Å; C247-Y252 WeakPolarHBondContact O-CD1 3.46Å
248E88.1Confident83.6Confident75 Ų7568.2 Ų68.235%0.3540%0.403SS..Hα-helixtrans-81.6-34.9168.9-176.5-106.9-168.700111.2Y233 I243 C244 E245 G250 L260Y233-E248 HydrophobicContact CD1-CB 4.25Å; Y233-E248 HydrophobicContact CD1-CG 3.75Å; Y233-E248 HydrophobicContact CD2-CB 3.99Å; Y233-E248 HydrophobicContact CD2-CG 4.38Å; Y233-E248 HydrophobicContact CE1-CB 4.13Å; Y233-E248 HydrophobicContact CE1-CG 3.49Å; Y233-E248 VanDerWaalsContact CE1-CG 3.49Å; Y233-E248 WeakPolarHBondContact CE1-OE1 3.41Å; Y233-E248 HydrophobicContact CE2-CB 3.92Å; Y233-E248 HydrophobicContact CE2-CG 4.21Å; Y233-E248 HydrophobicContact CG-CB 4.13Å; Y233-E248 HydrophobicContact CG-CG 4.15Å; Y233-E248 PolarHBondContact OH-OE1 3.13Å; Y233-E248 PolarHBondContact OH-OE2 2.95Å; I243-E248 HydrophobicContact CD1-CB 3.81Å; I243-E248 HydrophobicContact CD1-CG 4.43Å; I243-E248 HydrophobicContact CG1-CB 4.22Å; C244-E248 PolarHBondContact O-N 2.82Å; E245-E248 PolarHBondContact O-N 3.28Å; E248-G250 PolarHBondContact O-N 3.18Å; E248-G250 VanDerWaalsContact O-N 3.13Å; E248-L260 HydrophobicContact CG-CD1 4.39Å
249A81.9Confident83.6Confident89 Ų8972.1 Ų72.174%0.73642%0.42SS*.SBendtrans-72.35.8171.400000114.4E245E245-A249 PolarHBondContact O-N 3.26Å; E245-A249 VanDerWaalsContact O-N 3.12Å
250G80.2Confident84.1Confident28 Ų2868.8 Ų68.829%0.28940%0.397SS..SBendtrans-139.6175.4-178.400000112.4E248 Y252E248-G250 PolarHBondContact O-N 3.18Å; E248-G250 VanDerWaalsContact O-N 3.13Å; G250-Y252 WeakPolarHBondContact O-CD1 3.47Å; G250-Y252 PolarHBondContact O-N 3.5Å
251P74.2Confident84.4Confident127 Ų12768.1 Ų68.183%0.82538%0.384SS*.  trans-68.5106.9-179.827.6-33.8000111Q223Q223-P251 PolarHBondContact NE2-O 3.49Å
252Y78.2Confident84.5Confident77 Ų7770.9 Ų70.930%0.30240%0.397SS..  trans-98.4143.7170.357.8-95.3000110.8I243 C247 G250 H254 L260I243-Y252 HydrophobicContact CD1-CD1 3.65Å; I243-Y252 HydrophobicContact CD1-CD2 4.36Å; I243-Y252 HydrophobicContact CD1-CE1 4.12Å; I243-Y252 HydrophobicContact CD1-CG 3.78Å; C247-Y252 WeakPolarHBondContact O-CD1 3.46Å; G250-Y252 WeakPolarHBondContact O-CD1 3.47Å; G250-Y252 PolarHBondContact O-N 3.5Å; Y252-H254 HydrophobicContact CD2-CB 3.85Å; Y252-H254 HydrophobicContact CE2-CB 4.05Å; Y252-H254 PolarHBondContact O-N 3.46Å; Y252-L260 HydrophobicContact CE1-CD1 4.01Å; Y252-L260 HydrophobicContact CE2-CD1 4.02Å
253A71.4Confident84.3Confident73 Ų7372.7 Ų72.760%0.60341%0.407SS*.  trans-87.795.6174.600000109.7Y241Y241-A253 WeakPolarHBondContact CE2-O 3.37Å; Y241-A253 VanDerWaalsContact OH-C 3.31Å; Y241-A253 PolarHBondContact OH-O 2.86Å
254H81.4Confident84Confident49 Ų4981.2 Ų81.223%0.22744%0.439CS..SBendtrans-142.1-178.9167.1-150.931.7000110.2C235 Y241 Y252 H258C235-H254 PolarHBondContact SG-NE2 3.49Å; Y241-H254 AromaticContact CD1-CD2 3.74Å; Y241-H254 AromaticContact CD1-CG 3.93Å; Y241-H254 AromaticContact CD1-NE2 3.85Å; Y241-H254 AromaticContact CD2-CE1 3.76Å; Y241-H254 AromaticContact CD2-ND1 3.64Å; Y241-H254 HydrophobicContact CE1-CB 3.89Å; Y241-H254 AromaticContact CE1-CD2 3.92Å; Y241-H254 AromaticContact CE1-CG 3.76Å; Y241-H254 HydrophobicContact CE2-CB 4.22Å; Y241-H254 AromaticContact CE2-CG 3.99Å; Y241-H254 AromaticContact CE2-ND1 3.7Å; Y241-H254 AromaticContact CG-CE1 3.64Å; Y241-H254 AromaticContact CG-ND1 3.86Å; Y241-H254 AromaticContact CG-NE2 3.78Å; Y241-H254 AromaticContact CZ-CG 3.79Å; Y241-H254 AromaticContact CZ-ND1 4Å; Y252-H254 HydrophobicContact CD2-CB 3.85Å; Y252-H254 HydrophobicContact CE2-CB 4.05Å; Y252-H254 PolarHBondContact O-N 3.46Å; H254-H258 AromaticContact CD2-ND1 3.67Å; H254-H258 AromaticContact CE1-ND1 3.41Å; H254-H258 PolarHBondContact CE1-ND1 3Å; H254-H258 AromaticContact NE2-CG 3.73Å; H254-H258 AromaticContact NE2-ND1 2.98Å; H254-H258 PolarHBondContact NE2-ND1 3.44Å
255D80.4Confident83.3Confident77 Ų7788.6 Ų88.641%0.41247%0.466SS..  trans-78.8131.9170.7-166.1-65.3000109.5N257 H258D255-N257 PolarHBondContact O-N 2.62Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.32Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.97Å; D255-H258 WeakPolarHBondContact O-CB 3.38Å; D255-H258 PolarHBondContact O-N 3.37Å
256D77.8Confident82.2Confident155 Ų15587.8 Ų87.883%0.82947%0.468SS*.THydrogen-bonded Turntrans-66.5-18.2-176.6-66.3-44.9000113H258D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 2.86Å
257N79.6Confident80.7Confident133 Ų13386.6 Ų86.671%0.71146%0.464SS*.THydrogen-bonded Turntrans-79.4-7.4175.4-55.1-78.8000112.8D255 I259D255-N257 PolarHBondContact O-N 2.62Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.32Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.97Å; N257-I259 PolarHBondContact O-N 2.59Å
258H86.7Confident78.8Confident45 Ų4594 Ų9421%0.20850%0.502CS..SBendtrans-92.1102.3-173.9-77.3-162.3000113L237 C238 H254 D255 D256 L260L237-H258 VanDerWaalsContact CD1-CD2 3.42Å; L237-H258 WeakPolarHBondContact CD1-CD2 3.5Å; C238-H258 VanDerWaalsContact SG-CE1 3.54Å; H254-H258 AromaticContact CD2-ND1 3.67Å; H254-H258 AromaticContact CE1-ND1 3.41Å; H254-H258 PolarHBondContact CE1-ND1 3Å; H254-H258 AromaticContact NE2-CG 3.73Å; H254-H258 AromaticContact NE2-ND1 2.98Å; H254-H258 PolarHBondContact NE2-ND1 3.44Å; D255-H258 WeakPolarHBondContact O-CB 3.38Å; D255-H258 PolarHBondContact O-N 3.37Å; D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 2.86Å; H258-L260 PolarHBondContact O-N 3.19Å
259I85.2Confident76.3Confident118 Ų11896.8 Ų96.861%0.60552%0.518SS*.PPolyproline II helixtrans-63.2127.9-179.4-56.7175.5000111.8S236 N257S236-I259 PolarHBondContact N-O 3.38Å; S236-I259 PolarHBondContact OG-O 3.19Å; S236-I259 VanDerWaalsContact OG-O 3.14Å; N257-I259 PolarHBondContact O-N 2.59Å
260L89.5Confident74.1Confident30 Ų3097.8 Ų97.816%0.15752%0.52CS..EExtended strand (participates in β ladder)trans-92.9125.6174.8-64.1-179.2000111.9Y233 C235 Y241 I243 E248 Y252 H258Y233-L260 HydrophobicContact CD1-CB 4.25Å; C235-L260 HydrophobicContact CB-CD2 4Å; Y241-L260 HydrophobicContact CD1-CD2 4.49Å; I243-L260 HydrophobicContact CD1-CD1 3.58Å; I243-L260 HydrophobicContact CG1-CD1 4.24Å; E248-L260 HydrophobicContact CG-CD1 4.39Å; Y252-L260 HydrophobicContact CE1-CD1 4.01Å; Y252-L260 HydrophobicContact CE2-CD1 4.02Å; H258-L260 PolarHBondContact O-N 3.19Å
261L88.3Confident71.9Confident87 Ų87101 Ų10146%0.45554%0.538SS..EExtended strand (participates in β ladder)trans-91.2117.4178.3-58.5176.3000110.8Y233 Q234 L263Y233-L261 WeakPolarHBondContact CA-O 3.45Å; Q234-L261 PolarHBondContact N-O 3.26Å; Q234-L261 VanDerWaalsContact N-O 3.12Å; Q234-L261 PolarHBondContact O-N 3.17Å; L261-L263 PolarHBondContact O-N 3.32Å; L261-L263 VanDerWaalsContact O-N 3.14Å
262K91.7Very high70.1Confident88 Ų88102.3 Ų102.338%0.38353%0.533SS..EExtended strand (participates in β ladder)trans-79.388.5-178.2-168.9168-171.61570112.7V231 Y233 E245 R264V231-K262 HydrophobicContact CG1-CD 4.25Å; V231-K262 HydrophobicContact CG1-CG 3.52Å; Y233-K262 HydrophobicContact CD1-CB 4.02Å; Y233-K262 HydrophobicContact CD1-CG 4.22Å; Y233-K262 HydrophobicContact CE1-CB 3.76Å; Y233-K262 HydrophobicContact CE1-CD 3.72Å; Y233-K262 HydrophobicContact CE1-CG 3.68Å; Y233-K262 HydrophobicContact CE2-CD 4.26Å; Y233-K262 HydrophobicContact CE2-CG 4.13Å; Y233-K262 VanDerWaalsContact CZ-CD 3.48Å; Y233-K262 VanDerWaalsContact OH-CD 3.31Å; Y233-K262 WeakPolarHBondContact OH-CD 3.45Å; Y233-K262 WeakPolarHBondContact OH-CE 3.33Å; Y233-K262 PolarHBondContact OH-NZ 3.32Å; E245-K262 WeakPolarHBondContact OE1-CE 3.4Å; E245-K262 IonicContact OE1-NZ 2.68Å; E245-K262 PolarHBondContact OE1-NZ 3.45Å; K262-R264 PolarHBondContact O-N 2.86Å
263L86.6Confident68.3Low45 Ų45104.2 Ų104.224%0.23656%0.555CS.*EExtended strand (participates in β ladder)trans-84.5105.6179.7-55.4174.7000111.5W217 V231 R232 Q234 L261W217-L263 HydrophobicContact CH2-CB 3.64Å; W217-L263 HydrophobicContact CH2-CD1 4.38Å; W217-L263 HydrophobicContact CZ2-CB 4Å; W217-L263 WeakPolarHBondContact CZ2-O 3.35Å; W217-L263 HydrophobicContact CZ3-CB 4.5Å; W217-L263 HydrophobicContact CZ3-CD1 4.5Å; V231-L263 WeakPolarHBondContact CG1-O 3.28Å; R232-L263 HydrophobicContact CB-CB 4.41Å; R232-L263 PolarHBondContact N-O 3.16Å; R232-L263 WeakPolarHBondContact O-CA 3.42Å; R232-L263 WeakPolarHBondContact O-CB 3.48Å; R232-L263 PolarHBondContact O-N 2.82Å; Q234-L263 HydrophobicContact CB-CD1 3.96Å; L261-L263 PolarHBondContact O-N 3.32Å; L261-L263 VanDerWaalsContact O-N 3.14Å
264R84.9Confident66.5Low178 Ų178109.1 Ų109.167%0.67256%0.563SS**  trans-87.4-16.5-177.8-57.4-173.1-169.7-175.62.3115.4V231 K262V231-R264 HydrophobicContact CG1-CG 4.18Å; V231-R264 HydrophobicContact CG2-CG 4.23Å; K262-R264 PolarHBondContact O-N 2.86Å
265R76.7Confident64.1Low161 Ų161112.3 Ų112.361%0.60859%0.59SS**SBendtrans-147.3144.1177.9-70.4-175.4174.4164.7-2.2110.4F215 W217 V267F215-R265 HydrophobicContact CD2-CG 4.39Å; F215-R265 HydrophobicContact CE2-CG 4.18Å; W217-R265 VanDerWaalsContact CH2-O 3.25Å; W217-R265 WeakPolarHBondContact CH2-O 3.48Å; W217-R265 VanDerWaalsContact CZ2-C 3.48Å; R265-V267 PolarHBondContact O-N 2.85Å
266P67.3Low62.2Low62 Ų62116.8 Ų116.840%0.40361%0.608SS.*  trans-58.4109.6175.1-26.335.7000112.5W217 L268W217-P266 HydrophobicContact CD2-CG 4.22Å; W217-P266 HydrophobicContact CE3-CB 4.41Å; W217-P266 HydrophobicContact CE3-CG 4.09Å; W217-P266 VanDerWaalsContact CH2-CA 3.5Å; W217-P266 HydrophobicContact CH2-CB 4.35Å; W217-P266 HydrophobicContact CH2-CG 4.19Å; W217-P266 HydrophobicContact CZ2-CG 4.26Å; W217-P266 HydrophobicContact CZ3-CB 4.09Å; W217-P266 HydrophobicContact CZ3-CG 4.1Å; P266-L268 PolarHBondContact O-N 2.96Å
267V55.3Low60.1Low105 Ų105117 Ų11764%0.63661%0.609SS**  trans-76.1115169.4-171.90000107.4R265 I269R265-V267 PolarHBondContact O-N 2.85Å; V267-I269 HydrophobicContact CB-CG1 4.07Å; V267-I269 HydrophobicContact CG1-CD1 4.34Å; V267-I269 HydrophobicContact CG1-CG1 3.62Å; V267-I269 PolarHBondContact O-N 3.36Å
268L49.6Very low58.3Low172 Ų172119.5 Ų119.590%0.90161%0.613SS**  trans-74.374.9173.1-71.7171.2000109.8P266 S270P266-L268 PolarHBondContact O-N 2.96Å; L268-S270 PolarHBondContact O-N 3.45Å
269I34.9Very low55.8Low133 Ų133127 Ų12768%0.68264%0.641SS**  trans-72.4110.7174.4-57.3178.9000108.1V267 S271V267-I269 HydrophobicContact CB-CG1 4.07Å; V267-I269 HydrophobicContact CG1-CD1 4.34Å; V267-I269 HydrophobicContact CG1-CG1 3.62Å; V267-I269 PolarHBondContact O-N 3.36Å; I269-S271 VanDerWaalsContact C-N 3.3Å; I269-S271 PolarHBondContact O-N 3.47Å; I269-S271 VanDerWaalsContact O-N 3.08Å
270S35.3Very low53.6Low110 Ų110127.2 Ų127.277%0.76965%0.651SS**  trans-8175.5173.3-177.40000110L268 E272L268-S270 PolarHBondContact O-N 3.45Å; S270-E272 PolarHBondContact O-N 2.94Å
271S35.4Very low50.8Low96 Ų96131.9 Ų131.967%0.67168%0.68SS**  trans-74.4107.6172.856.90000110.6I269 P273I269-S271 VanDerWaalsContact C-N 3.3Å; I269-S271 PolarHBondContact O-N 3.47Å; I269-S271 VanDerWaalsContact O-N 3.08Å; S271-P273 WeakPolarHBondContact O-CD 3.47Å
272E36.8Very low48.7Very low155 Ų155133.1 Ų133.172%0.72469%0.694SS**  trans-76.8137.1161.5-65.8-173144.900110S270S270-E272 PolarHBondContact O-N 2.94Å
273P39.6Very low46.3Very low116 Ų116141 Ų14175%0.75372%0.721SS**  trans-118.2128.8142.2-1.722.5000110.2S271 S275S271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-S275 PolarHBondContact O-N 2.95Å
274F34.1Very low44.3Very low177 Ų177146.5 Ų146.578%0.77675%0.75SS**  trans-67.5126174-95.7-108.8000111.6
275S31.4Very low42.7Very low115 Ų115142.7 Ų142.780%0.80475%0.748SS**  trans-158.9136.614743.50000111.1P273P273-S275 PolarHBondContact O-N 2.95Å
276H40.3Very low41.7Very low171 Ų171138 Ų13879%0.79274%0.744SS**  trans-77.6129.1-175.5-89.8-94.9000112.6
277L33.2Very low41.1Very low161 Ų161138 Ų13884%0.84375%0.749SS**  trans-150.4134.4150.3-110163.1000110.6
278K42.5Very low41Very low184 Ų184138.6 Ų138.680%0.875%0.748SS**  trans-93.3101-168.2-64.2-179.4-176178.20112.5
279Y33.1Very low41.2Very low202 Ų202137 Ų13779%0.79274%0.736SS**  trans-142.5151.7161.3-77.9-71.3000111.3
280P38.8Very low42.3Very low124 Ų124137 Ų13781%0.80573%0.733SS**PPolyproline II helixtrans-77.8126.1-170.930.1-34.4000112.7
281T30.4Very low43.7Very low128 Ų128135.8 Ų135.879%0.78572%0.721SS**PPolyproline II helixtrans-78.9136.7-177.8-34.70000112.3
282P44.5Very low45.2Very low113 Ų113139.8 Ų139.873%0.73472%0.721SS**PPolyproline II helixtrans-62.8150.9164.3-20.233.2000111.8
283R42.6Very low46.4Very low252 Ų252137.6 Ų137.695%0.95171%0.714SS**PPolyproline II helixtrans-68.1135178.9-66.9-176.1177.4-171.2-1.7111.7
284L43.6Very low47.7Very low162 Ų162137 Ų13785%0.84870%0.701SS**PPolyproline II helixtrans-82.1159.6169.2-81.6164.9000111.8
285P52.3Low49.6Very low97 Ų97135 Ų13563%0.6369%0.692SS**PPolyproline II helixtrans-73.1136.3-178.2-17.932.7000114A287 L288P285-A287 PolarHBondContact O-N 3.41Å; P285-L288 PolarHBondContact O-N 3.33Å
286A55.2Low51.4Low63 Ų63135.3 Ų135.352%0.52168%0.681SS.*THydrogen-bonded Turntrans-60.8-16.3-175.100000115.9L288 E289 Q290A286-L288 PolarHBondContact O-N 3.48Å; A286-E289 PolarHBondContact O-N 2.94Å; A286-Q290 PolarHBondContact O-N 3.36Å
287A54Low53.1Low62 Ų62131.4 Ų131.451%0.51267%0.669SS.*Hα-helixtrans-61.2-29.1-179.600000113.4P285 V291P285-A287 PolarHBondContact O-N 3.41Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 2.72Å
288L52.7Low55.3Low118 Ų118127.1 Ų127.162%0.61865%0.647SS**Hα-helixtrans-77.9-32.9-177.3-148.6159000111.9P285 A286 V291 R292P285-L288 PolarHBondContact O-N 3.33Å; A286-L288 PolarHBondContact O-N 3.48Å; L288-V291 PolarHBondContact O-N 2.92Å; L288-R292 HydrophobicContact CD2-CG 4.38Å; L288-R292 WeakPolarHBondContact O-CG 3.5Å; L288-R292 PolarHBondContact O-N 3.14Å
289E55Low57.2Low139 Ų139125.6 Ų125.665%0.6564%0.64SS**Hα-helixtrans-65.8-42.8172.4-67.7-175.1122.400111.3A286 V291 R292 L293A286-E289 PolarHBondContact O-N 2.94Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.41Å; E289-R292 PolarHBondContact O-N 3.38Å; E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.41Å
290Q57.7Low59.8Low133 Ų133120.2 Ų120.262%0.62163%0.625SS**Hα-helixtrans-56.8-41.6176.2-70.2178.9-28.700112.3A286 R292 L293 Q294A286-Q290 PolarHBondContact O-N 3.36Å; Q290-R292 PolarHBondContact O-N 3.48Å; Q290-L293 PolarHBondContact O-N 3.26Å; Q290-Q294 WeakPolarHBondContact O-CB 3.37Å; Q290-Q294 PolarHBondContact O-N 3.36Å
291V65.5Low62.2Low83 Ų83120.6 Ų120.650%0.50361%0.614SS.*Hα-helixtrans-68.6-31.1176.9174.50000112.7A287 L288 E289 K295A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 2.72Å; L288-V291 PolarHBondContact O-N 2.92Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.41Å; V291-K295 WeakPolarHBondContact O-CG 3.48Å; V291-K295 PolarHBondContact O-N 2.88Å
292R65.4Low64.9Low181 Ų181119.1 Ų119.168%0.68361%0.605SS**Hα-helixtrans-73.1-43.2174.4-66.9177.690.5139.61.5111.1L288 E289 Q290 K295 Q296L288-R292 HydrophobicContact CD2-CG 4.38Å; L288-R292 WeakPolarHBondContact O-CG 3.5Å; L288-R292 PolarHBondContact O-N 3.14Å; E289-R292 PolarHBondContact O-N 3.38Å; Q290-R292 PolarHBondContact O-N 3.48Å; R292-K295 PolarHBondContact O-N 3.06Å; R292-Q296 PolarHBondContact O-N 3.3Å; R292-Q296 VanDerWaalsContact O-N 3.13Å
293L62.2Low67.1Low108 Ų108120.3 Ų120.357%0.56560%0.598SS**Hα-helixtrans-62.5-45.9175.7-69.5170.9000111.5E289 Q290 K295 Q296 V297E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.41Å; Q290-L293 PolarHBondContact O-N 3.26Å; L293-K295 PolarHBondContact O-N 2.99Å; L293-Q296 WeakPolarHBondContact O-CB 3.35Å; L293-Q296 PolarHBondContact O-N 2.94Å; L293-V297 WeakPolarHBondContact O-CG2 3.42Å; L293-V297 PolarHBondContact O-N 3.49Å
294Q68.3Low69.3Low105 Ų105110.9 Ų110.949%0.49157%0.574SS.*Hα-helixtrans-57-51.5176.1-1726351.900111.2Q290 Q296 V297 D298Q290-Q294 WeakPolarHBondContact O-CB 3.37Å; Q290-Q294 PolarHBondContact O-N 3.36Å; Q294-Q296 PolarHBondContact O-N 3.5Å; Q294-Q296 VanDerWaalsContact O-N 3.08Å; Q294-V297 CarbonylContact O-C 3.58Å; Q294-V297 WeakPolarHBondContact O-CA 3.33Å; Q294-V297 WeakPolarHBondContact O-CB 3.45Å; Q294-V297 PolarHBondContact O-N 3.13Å; Q294-D298 PolarHBondContact NE2-OD1 3.47Å; Q294-D298 PolarHBondContact O-N 2.99Å
295K72.3Confident71.4Confident135 Ų135105.6 Ų105.659%0.58755%0.545SS*.Hα-helixtrans-62.1-19.8177.6-73.7-178.5177.2-177.10114.4V291 R292 L293 K299V291-K295 WeakPolarHBondContact O-CG 3.48Å; V291-K295 PolarHBondContact O-N 2.88Å; R292-K295 PolarHBondContact O-N 3.06Å; L293-K295 PolarHBondContact O-N 2.99Å; K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.29Å
296Q70.5Confident73.4Confident121 Ų121107.1 Ų107.157%0.56554%0.542SS*.Hα-helixtrans-85.1-38.2173.5-172.3165.6-16.300111.5R292 L293 Q294 K299 N300R292-Q296 PolarHBondContact O-N 3.3Å; R292-Q296 VanDerWaalsContact O-N 3.13Å; L293-Q296 WeakPolarHBondContact O-CB 3.35Å; L293-Q296 PolarHBondContact O-N 2.94Å; Q294-Q296 PolarHBondContact O-N 3.5Å; Q294-Q296 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 2.89Å; Q296-N300 VanDerWaalsContact O-CG 3.31Å; Q296-N300 PolarHBondContact O-N 3.37Å
297V74.9Confident75.2Confident89 Ų89107.9 Ų107.954%0.53954%0.535SS..Hα-helixtrans-61.3-47.8169.41720000110.7L293 Q294 K299 N300 F301L293-V297 WeakPolarHBondContact O-CG2 3.42Å; L293-V297 PolarHBondContact O-N 3.49Å; Q294-V297 CarbonylContact O-C 3.58Å; Q294-V297 WeakPolarHBondContact O-CA 3.33Å; Q294-V297 WeakPolarHBondContact O-CB 3.45Å; Q294-V297 PolarHBondContact O-N 3.13Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 2.84Å; V297-N300 PolarHBondContact O-N 3.48Å; V297-N300 VanDerWaalsContact O-N 3.07Å; V297-F301 WeakPolarHBondContact O-CB 3.08Å; V297-F301 PolarHBondContact O-N 2.79Å
298D80.2Confident77.3Confident71 Ų71112 Ų11238%0.3854%0.537SS..Hα-helixtrans-58.1-42.5178.6-54.9-27.2000111.5Q294 F301 V302Q294-D298 PolarHBondContact NE2-OD1 3.47Å; Q294-D298 PolarHBondContact O-N 2.99Å; D298-F301 PolarHBondContact O-N 3.49Å; D298-V302 WeakPolarHBondContact O-CG2 3.32Å; D298-V302 PolarHBondContact O-N 3.2Å
299K83.1Confident79.3Confident152 Ų152111 Ų11166%0.66153%0.532SS*.Hα-helixtrans-65-38.5175.5-81.7-179.7175.3-172.70112.7K295 Q296 V297 K303K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.29Å; Q296-K299 PolarHBondContact O-N 2.89Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 2.84Å; K299-K303 WeakPolarHBondContact O-CG 3.17Å; K299-K303 PolarHBondContact O-N 3.43Å; K299-K303 VanDerWaalsContact O-N 3.16Å
300N85.8Confident81.2Confident89 Ų89111.6 Ų111.648%0.47653%0.528SS..Hα-helixtrans-72.2-38.1177.4-72.2-4.5000111.3Q296 V297 K303 A304Q296-N300 VanDerWaalsContact O-CG 3.31Å; Q296-N300 PolarHBondContact O-N 3.37Å; V297-N300 PolarHBondContact O-N 3.48Å; V297-N300 VanDerWaalsContact O-N 3.07Å; N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.83Å; N300-A304 PolarHBondContact O-N 3.26Å
301F89.1Confident82.8Confident132 Ų132108.1 Ų108.158%0.57952%0.522SS*.Hα-helixtrans-59.3-50.1172.7-179-96.4000111.3V297 D298 K303 A304 E305V297-F301 WeakPolarHBondContact O-CB 3.08Å; V297-F301 PolarHBondContact O-N 2.79Å; D298-F301 PolarHBondContact O-N 3.49Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 2.85Å; F301-A304 PolarHBondContact O-N 3.15Å; F301-E305 VanDerWaalsContact O-CB 3.27Å; F301-E305 WeakPolarHBondContact O-CB 3.15Å; F301-E305 PolarHBondContact O-N 2.67Å
302V87.8Confident84.2Confident97 Ų97107.7 Ų107.759%0.58852%0.515SS*.Hα-helixtrans-63-29.9177.5171.90000112.8D298 K306D298-V302 WeakPolarHBondContact O-CG2 3.32Å; D298-V302 PolarHBondContact O-N 3.2Å; V302-K306 VanDerWaalsContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CB 3.43Å; V302-K306 PolarHBondContact O-N 3.44Å; V302-K306 VanDerWaalsContact O-N 3.15Å
303K90.5Very high85.6Confident138 Ų138107 Ų10760%0.652%0.516SS*.Hα-helixtrans-67.8-51.3170.7-77.4179.1173.2-170.50111.8K299 N300 F301 E305 K306 Q307K299-K303 WeakPolarHBondContact O-CG 3.17Å; K299-K303 PolarHBondContact O-N 3.43Å; K299-K303 VanDerWaalsContact O-N 3.16Å; N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.83Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 2.85Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 2.83Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.36Å; K303-K306 WeakPolarHBondContact O-CB 3.32Å; K303-K306 PolarHBondContact O-N 3.17Å; K303-K306 VanDerWaalsContact O-N 3.09Å; K303-Q307 PolarHBondContact O-N 3.15Å; K303-Q307 PolarHBondContact O-OE1 3.18Å
304A88.3Confident87.1Confident54 Ų54109.7 Ų109.745%0.44652%0.524SS..Hα-helixtrans-61.5-40.6179.500000112N300 F301 K306 Q307 R308N300-A304 PolarHBondContact O-N 3.26Å; F301-A304 PolarHBondContact O-N 3.15Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.39Å; A304-Q307 PolarHBondContact O-N 3.34Å; A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.68Å
305E89.2Confident88.4Confident50 Ų50109.4 Ų109.423%0.23452%0.523CS..Hα-helixtrans-57.3-44.8172-172.959.2-115.800111.3F301 K303 R308 L309F301-E305 VanDerWaalsContact O-CB 3.27Å; F301-E305 WeakPolarHBondContact O-CB 3.15Å; F301-E305 PolarHBondContact O-N 2.67Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 2.83Å; E305-R308 VanDerWaalsContact CD-NH2 3.26Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 2.85Å; E305-R308 IonicContact OE1-CZ 3.06Å; E305-R308 VanDerWaalsContact OE1-CZ 3.31Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 PolarHBondContact OE1-NE 2.78Å; E305-R308 VanDerWaalsContact OE1-NE 3.14Å; E305-R308 IonicContact OE1-NH2 3.31Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.27Å; E305-R308 IonicContact OE2-NE 3.9Å; E305-R308 IonicContact OE2-NH2 3.63Å; E305-R308 PolarHBondContact OE2-NH2 2.75Å; E305-L309 HydrophobicContact CG-CD1 4.46Å; E305-L309 WeakPolarHBondContact O-CG 3.22Å; E305-L309 PolarHBondContact O-N 2.83Å
306K94.4Very high89.4Confident129 Ų129109.7 Ų109.756%0.56152%0.52SS*.Hα-helixtrans-68.8-36177-172.2174.6-178175.50113.1V302 K303 A304 R310V302-K306 VanDerWaalsContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CB 3.43Å; V302-K306 PolarHBondContact O-N 3.44Å; V302-K306 VanDerWaalsContact O-N 3.15Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.36Å; K303-K306 WeakPolarHBondContact O-CB 3.32Å; K303-K306 PolarHBondContact O-N 3.17Å; K303-K306 VanDerWaalsContact O-N 3.09Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.39Å; K306-R310 WeakPolarHBondContact O-CD 3.4Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.81Å; K306-R310 VanDerWaalsContact O-N 3.16Å
307Q92.8Very high90.6Very high79 Ų79111 Ų11137%0.36952%0.524SS..Hα-helixtrans-66.8-44.9171.7-79.5161-61.800111E52 K303 A304 L309 R310 A311E52-Q307 PolarHBondContact OE2-NE2 3.21Å; K303-Q307 PolarHBondContact O-N 3.15Å; K303-Q307 PolarHBondContact O-OE1 3.18Å; A304-Q307 PolarHBondContact O-N 3.34Å; Q307-L309 PolarHBondContact O-N 3.44Å; Q307-R310 WeakPolarHBondContact O-CB 3.41Å; Q307-R310 PolarHBondContact O-N 2.89Å; Q307-R310 VanDerWaalsContact O-N 3.12Å; Q307-A311 PolarHBondContact O-N 2.86Å
308R96.8Very high91.5Very high150 Ų150109.4 Ų109.457%0.56652%0.52SS*.Hα-helixtrans-53.9-51.1174.8-178176.179.5147.2-0.2111.9A304 E305 R310 A311 E312A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.68Å; E305-R308 VanDerWaalsContact CD-NH2 3.26Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 2.85Å; E305-R308 IonicContact OE1-CZ 3.06Å; E305-R308 VanDerWaalsContact OE1-CZ 3.31Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 PolarHBondContact OE1-NE 2.78Å; E305-R308 VanDerWaalsContact OE1-NE 3.14Å; E305-R308 IonicContact OE1-NH2 3.31Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.27Å; E305-R308 IonicContact OE2-NE 3.9Å; E305-R308 IonicContact OE2-NH2 3.63Å; E305-R308 PolarHBondContact OE2-NH2 2.75Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 2.76Å; R308-A311 PolarHBondContact O-N 3.42Å; R308-E312 PolarHBondContact O-N 2.86Å
309L95.1Very high92.2Very high97 Ų97109.8 Ų109.851%0.50852%0.519SS..Hα-helixtrans-65.3-31.8178.7-68.8169000113E305 Q307 K313E305-L309 HydrophobicContact CG-CD1 4.46Å; E305-L309 WeakPolarHBondContact O-CG 3.22Å; E305-L309 PolarHBondContact O-N 2.83Å; Q307-L309 PolarHBondContact O-N 3.44Å; L309-K313 VanDerWaalsContact O-CB 3.29Å; L309-K313 WeakPolarHBondContact O-CB 3.19Å; L309-K313 PolarHBondContact O-N 2.89Å
310R94.6Very high92.8Very high150 Ų150107 Ų10757%0.56652%0.515SS*.Hα-helixtrans-68.3-46172.2-77.4168163.6-167-6.9111.9K306 Q307 R308 K313 K314K306-R310 WeakPolarHBondContact O-CD 3.4Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.81Å; K306-R310 VanDerWaalsContact O-N 3.16Å; Q307-R310 WeakPolarHBondContact O-CB 3.41Å; Q307-R310 PolarHBondContact O-N 2.89Å; Q307-R310 VanDerWaalsContact O-N 3.12Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 2.76Å; R310-K313 PolarHBondContact O-N 2.61Å; R310-K314 PolarHBondContact O-N 2.85Å
311A92.8Very high93.2Very high60 Ų60109.4 Ų109.450%0.49652%0.521SS..Hα-helixtrans-62.2-45.4177.500000111.2Q307 R308 K313 K314 Q315Q307-A311 PolarHBondContact O-N 2.86Å; R308-A311 PolarHBondContact O-N 3.42Å; A311-K313 PolarHBondContact O-N 3.36Å; A311-K314 WeakPolarHBondContact O-CB 3.48Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.16Å; A311-Q315 PolarHBondContact O-N 3.17Å
312E93.5Very high93.5Very high75 Ų75106.6 Ų106.635%0.3551%0.51SS..Hα-helixtrans-61.3-44.5174.3-179.6165-157.100111.5R308 K314 Q315 R316R308-E312 PolarHBondContact O-N 2.86Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.1Å; E312-Q315 CarbonylContact O-C 3.59Å; E312-Q315 WeakPolarHBondContact O-CB 3.45Å; E312-Q315 PolarHBondContact O-N 3.23Å; E312-Q315 VanDerWaalsContact O-N 3.09Å; E312-R316 HydrophobicContact CG-CG 4.08Å; E312-R316 WeakPolarHBondContact O-CG 3.45Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.5Å; E312-R316 VanDerWaalsContact OE1-CZ 3.27Å; E312-R316 IonicContact OE1-NE 3.58Å; E312-R316 PolarHBondContact OE1-NE 2.65Å; E312-R316 IonicContact OE1-NH2 2.68Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å
313K96.3Very high93.9Very high165 Ų165107.1 Ų107.172%0.71751%0.509SS*.Hα-helixtrans-60.6-35.4175-171.4171.5-176.9172.80112.5L309 R310 A311 K317L309-K313 VanDerWaalsContact O-CB 3.29Å; L309-K313 WeakPolarHBondContact O-CB 3.19Å; L309-K313 PolarHBondContact O-N 2.89Å; R310-K313 PolarHBondContact O-N 2.61Å; A311-K313 PolarHBondContact O-N 3.36Å; K313-K317 VanDerWaalsContact O-CB 3.26Å; K313-K317 WeakPolarHBondContact O-CB 3.24Å; K313-K317 PolarHBondContact O-N 3.44Å; K313-K317 VanDerWaalsContact O-N 3.17Å
314K92.2Very high94.1Very high166 Ų166107.2 Ų107.272%0.72251%0.509SS*.Hα-helixtrans-65-44.9172.4-168.3176.8179.5179.50110.5R310 A311 E312 K317 A318R310-K314 PolarHBondContact O-N 2.85Å; A311-K314 WeakPolarHBondContact O-CB 3.48Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.16Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.1Å; K314-K317 PolarHBondContact O-N 2.86Å; K314-A318 PolarHBondContact O-N 2.94Å; K314-A318 VanDerWaalsContact O-N 3.12Å
315Q96.2Very high94.5Very high99 Ų99110.7 Ų110.746%0.46351%0.514SS..Hα-helixtrans-62.7-55.4176.2-177.5-175.1-25.500112.5A311 E312 K317 A318 E319A311-Q315 PolarHBondContact O-N 3.17Å; E312-Q315 CarbonylContact O-C 3.59Å; E312-Q315 WeakPolarHBondContact O-CB 3.45Å; E312-Q315 PolarHBondContact O-N 3.23Å; E312-Q315 VanDerWaalsContact O-N 3.09Å; Q315-K317 PolarHBondContact O-N 2.73Å; Q315-A318 CarbonylContact O-C 3.53Å; Q315-A318 WeakPolarHBondContact O-CA 3.45Å; Q315-A318 WeakPolarHBondContact O-CB 3.39Å; Q315-A318 PolarHBondContact O-N 3.13Å; Q315-E319 HydrophobicContact CG-CG 4.39Å; Q315-E319 PolarHBondContact NE2-OE1 2.91Å; Q315-E319 PolarHBondContact O-N 3.35Å
316R93.1Very high94.7Very high140 Ų140113.5 Ų113.553%0.52853%0.527SS..Hα-helixtrans-57.8-35.5179.5-56.5-56.7-169.7106.65.9111.3E312 A318 E319 V320E312-R316 HydrophobicContact CG-CG 4.08Å; E312-R316 WeakPolarHBondContact O-CG 3.45Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.5Å; E312-R316 VanDerWaalsContact OE1-CZ 3.27Å; E312-R316 IonicContact OE1-NE 3.58Å; E312-R316 PolarHBondContact OE1-NE 2.65Å; E312-R316 IonicContact OE1-NH2 2.68Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 3.34Å; R316-E319 WeakPolarHBondContact CD-OE2 3.28Å; R316-E319 PolarHBondContact O-N 3.22Å; R316-V320 WeakPolarHBondContact O-CB 3.41Å; R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.18Å; R316-V320 PolarHBondContact O-N 3.15Å
317K95.4Very high94.7Very high149 Ų149111.8 Ų111.865%0.64852%0.524SS*.Hα-helixtrans-68-29.3174.6-168.7173.6-175.9178.80112.9K313 K314 Q315 K321K313-K317 VanDerWaalsContact O-CB 3.26Å; K313-K317 WeakPolarHBondContact O-CB 3.24Å; K313-K317 PolarHBondContact O-N 3.44Å; K313-K317 VanDerWaalsContact O-N 3.17Å; K314-K317 PolarHBondContact O-N 2.86Å; Q315-K317 PolarHBondContact O-N 2.73Å; K317-K321 WeakPolarHBondContact O-CG 3.17Å; K317-K321 PolarHBondContact O-N 3.27Å
318A93.9Very high94.7Very high56 Ų56114.6 Ų114.646%0.46354%0.535SS..Hα-helixtrans-75.3-43.6171.100000111.9K314 Q315 R316 V320 K321 E322K314-A318 PolarHBondContact O-N 2.94Å; K314-A318 VanDerWaalsContact O-N 3.12Å; Q315-A318 CarbonylContact O-C 3.53Å; Q315-A318 WeakPolarHBondContact O-CA 3.45Å; Q315-A318 WeakPolarHBondContact O-CB 3.39Å; Q315-A318 PolarHBondContact O-N 3.13Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 3.34Å; A318-V320 PolarHBondContact O-N 3.42Å; A318-K321 WeakPolarHBondContact O-CB 3.36Å; A318-K321 PolarHBondContact O-N 2.98Å; A318-K321 VanDerWaalsContact O-N 3.16Å; A318-E322 PolarHBondContact O-N 2.84Å
319E95Very high94.6Very high78 Ų78112.3 Ų112.336%0.36453%0.533SS..Hα-helixtrans-59.2-45.8175.4-68.4170.3169.700111.4Q315 R316 K321 E322 L323Q315-E319 HydrophobicContact CG-CG 4.39Å; Q315-E319 PolarHBondContact NE2-OE1 2.91Å; Q315-E319 PolarHBondContact O-N 3.35Å; R316-E319 WeakPolarHBondContact CD-OE2 3.28Å; R316-E319 PolarHBondContact O-N 3.22Å; E319-K321 PolarHBondContact O-N 3.45Å; E319-E322 PolarHBondContact O-N 3.29Å; E319-E322 VanDerWaalsContact O-N 3.16Å; E319-L323 WeakPolarHBondContact O-CB 3.19Å; E319-L323 WeakPolarHBondContact O-CG 3.5Å; E319-L323 PolarHBondContact O-N 3.43Å
320V95.9Very high94.4Very high93 Ų93113.4 Ų113.456%0.56454%0.536SS*.Hα-helixtrans-63.4-37.2174.7169.20000112.2R316 A318 E322 K324R316-V320 WeakPolarHBondContact O-CB 3.41Å; R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.18Å; R316-V320 PolarHBondContact O-N 3.15Å; A318-V320 PolarHBondContact O-N 3.42Å; V320-E322 VanDerWaalsContact C-N 3.35Å; V320-K324 VanDerWaalsContact O-CB 3.26Å; V320-K324 WeakPolarHBondContact O-CB 3.45Å; V320-K324 PolarHBondContact O-N 3.32Å
321K94.9Very high94.2Very high140 Ų140114.7 Ų114.761%0.60954%0.54SS*.Hα-helixtrans-61.6-43.7172.3-82.3176.8175.7-173.10111.1K317 A318 E319 K324 K325K317-K321 WeakPolarHBondContact O-CG 3.17Å; K317-K321 PolarHBondContact O-N 3.27Å; A318-K321 WeakPolarHBondContact O-CB 3.36Å; A318-K321 PolarHBondContact O-N 2.98Å; A318-K321 VanDerWaalsContact O-N 3.16Å; E319-K321 PolarHBondContact O-N 3.45Å; K321-K324 PolarHBondContact O-N 3.11Å; K321-K325 PolarHBondContact O-N 2.87Å
322E95.9Very high94.2Very high73 Ų73119.4 Ų119.434%0.34155%0.55SS..Hα-helixtrans-70.6-44.7-179.2-170.552.4-135.800112.2A318 E319 V320 K324 K325 Q326A318-E322 PolarHBondContact O-N 2.84Å; E319-E322 PolarHBondContact O-N 3.29Å; E319-E322 VanDerWaalsContact O-N 3.16Å; V320-E322 VanDerWaalsContact C-N 3.35Å; E322-K324 PolarHBondContact O-N 2.88Å; E322-K325 CarbonylContact O-C 3.52Å; E322-K325 WeakPolarHBondContact O-CA 3.27Å; E322-K325 WeakPolarHBondContact O-CB 3.4Å; E322-K325 PolarHBondContact O-N 2.9Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 VanDerWaalsContact OE2-CE 3.26Å; E322-K325 WeakPolarHBondContact OE2-CE 3.23Å; E322-K325 IonicContact OE2-NZ 3.77Å; E322-K325 PolarHBondContact OE2-NZ 2.91Å; E322-Q326 PolarHBondContact O-N 2.83Å
323L94.8Very high93.9Very high108 Ų108119.7 Ų119.757%0.56555%0.553SS**Hα-helixtrans-56.8-37.8171-70.5170.7000111.5E319 Q326 L327E319-L323 WeakPolarHBondContact O-CB 3.19Å; E319-L323 WeakPolarHBondContact O-CG 3.5Å; E319-L323 PolarHBondContact O-N 3.43Å; L323-Q326 PolarHBondContact O-N 2.7Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 PolarHBondContact O-N 3.28Å
324K94.4Very high93.2Very high140 Ų140117.3 Ų117.361%0.60954%0.544SS*.Hα-helixtrans-69.2-28.9174.1-164.2167.4-173.9167.80113V320 K321 E322 K328V320-K324 VanDerWaalsContact O-CB 3.26Å; V320-K324 WeakPolarHBondContact O-CB 3.45Å; V320-K324 PolarHBondContact O-N 3.32Å; K321-K324 PolarHBondContact O-N 3.11Å; E322-K324 PolarHBondContact O-N 2.88Å; K324-K328 WeakPolarHBondContact O-CB 3.37Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.12Å; K324-K328 PolarHBondContact O-N 3.45Å
325K97.3Very high92.8Very high128 Ų128114.9 Ų114.956%0.55754%0.538SS*.Hα-helixtrans-69.6-48.9167.8-64-175.4-150.6154.30111K321 E322 L327 K328 L329K321-K325 PolarHBondContact O-N 2.87Å; E322-K325 CarbonylContact O-C 3.52Å; E322-K325 WeakPolarHBondContact O-CA 3.27Å; E322-K325 WeakPolarHBondContact O-CB 3.4Å; E322-K325 PolarHBondContact O-N 2.9Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 VanDerWaalsContact OE2-CE 3.26Å; E322-K325 WeakPolarHBondContact OE2-CE 3.23Å; E322-K325 IonicContact OE2-NZ 3.77Å; E322-K325 PolarHBondContact OE2-NZ 2.91Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 2.91Å; K325-K328 CarbonylContact O-C 3.58Å; K325-K328 WeakPolarHBondContact O-CB 3.39Å; K325-K328 PolarHBondContact O-N 3.39Å; K325-K328 VanDerWaalsContact O-N 3.15Å; K325-L329 WeakPolarHBondContact O-CB 3.16Å; K325-L329 PolarHBondContact O-N 3.03Å
326Q93.9Very high91.6Very high108 Ų108118 Ų11851%0.50555%0.546SS..Hα-helixtrans-61.7-41.1-179.5-68.2-175.510.800111.7E322 L323 L329 H330E322-Q326 PolarHBondContact O-N 2.83Å; L323-Q326 PolarHBondContact O-N 2.7Å; Q326-L329 PolarHBondContact O-N 3.45Å; Q326-H330 WeakPolarHBondContact O-CB 3.22Å; Q326-H330 PolarHBondContact O-N 3.29Å
327L93.3Very high90.6Very high93 Ų93115.4 Ų115.449%0.48754%0.543SS..Hα-helixtrans-66.3-38.5174.4-172.264.8000112.2L323 K325 H330 R331L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 PolarHBondContact O-N 3.28Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 2.91Å; L327-H330 PolarHBondContact O-N 3.02Å; L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 2.85Å
328K94Very high89.3Confident139 Ų139111.1 Ų111.160%0.60453%0.531SS*.Hα-helixtrans-63.3-40.7171.4-82-177.8174.3-169.70112K324 K325 K332K324-K328 WeakPolarHBondContact O-CB 3.37Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.12Å; K324-K328 PolarHBondContact O-N 3.45Å; K325-K328 CarbonylContact O-C 3.58Å; K325-K328 WeakPolarHBondContact O-CB 3.39Å; K325-K328 PolarHBondContact O-N 3.39Å; K325-K328 VanDerWaalsContact O-N 3.15Å; K328-K332 WeakPolarHBondContact O-CG 3.29Å; K328-K332 PolarHBondContact O-N 2.85Å
329L94.6Very high88Confident102 Ų102114 Ų11453%0.53454%0.538SS..Hα-helixtrans-65.9-45.7176.1-179.961.2000111.1K325 Q326 R331 K332 I333K325-L329 WeakPolarHBondContact O-CB 3.16Å; K325-L329 PolarHBondContact O-N 3.03Å; Q326-L329 PolarHBondContact O-N 3.45Å; L329-R331 PolarHBondContact O-N 3.41Å; L329-K332 WeakPolarHBondContact O-CB 3.5Å; L329-K332 PolarHBondContact O-N 3.22Å; L329-K332 VanDerWaalsContact O-N 3.13Å; L329-I333 HydrophobicContact CD1-CD1 4.11Å; L329-I333 HydrophobicContact CD1-CG1 4.35Å; L329-I333 HydrophobicContact CG-CD1 3.88Å; L329-I333 WeakPolarHBondContact O-CG1 3.37Å; L329-I333 PolarHBondContact O-N 2.99Å
330H89.6Confident86Confident120 Ų120115.6 Ų115.656%0.55655%0.545SS*.Hα-helixtrans-61.9-41.9176.2-168.2-96000111.8Q326 L327 K332 I333 H334Q326-H330 WeakPolarHBondContact O-CB 3.22Å; Q326-H330 PolarHBondContact O-N 3.29Å; L327-H330 PolarHBondContact O-N 3.02Å; H330-K332 PolarHBondContact O-N 2.82Å; H330-I333 PolarHBondContact O-N 3.42Å; H330-H334 WeakPolarHBondContact O-CB 3.23Å; H330-H334 PolarHBondContact O-N 3.5Å
331R92.2Very high83.6Confident177 Ų177113.9 Ų113.967%0.66855%0.546SS*.Hα-helixtrans-60.5-41.8171.6-75.6-178.7-178.4-161.80.7112L327 L329 H334 L335L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 2.85Å; L329-R331 PolarHBondContact O-N 3.41Å; R331-H334 PolarHBondContact O-N 2.8Å; R331-L335 WeakPolarHBondContact O-CB 3.2Å; R331-L335 PolarHBondContact O-N 2.66Å
332K91.1Very high81.3Confident158 Ų158114.8 Ų114.869%0.68756%0.557SS**Hα-helixtrans-64.2-44.8174.7-77.7-174.4174.3-168.80112.8K328 L329 H330 L335 W336K328-K332 WeakPolarHBondContact O-CG 3.29Å; K328-K332 PolarHBondContact O-N 2.85Å; L329-K332 WeakPolarHBondContact O-CB 3.5Å; L329-K332 PolarHBondContact O-N 3.22Å; L329-K332 VanDerWaalsContact O-N 3.13Å; H330-K332 PolarHBondContact O-N 2.82Å; K332-L335 PolarHBondContact O-N 3.21Å; K332-W336 PolarHBondContact O-N 3.19Å
333I87Confident78.9Confident82 Ų82120.1 Ų120.142%0.42158%0.582SS.*Hα-helixtrans-62.3-44.3176.9-68.9166.3000110.3L329 H330 L335 W336 N337L329-I333 HydrophobicContact CD1-CD1 4.11Å; L329-I333 HydrophobicContact CD1-CG1 4.35Å; L329-I333 HydrophobicContact CG-CD1 3.88Å; L329-I333 WeakPolarHBondContact O-CG1 3.37Å; L329-I333 PolarHBondContact O-N 2.99Å; H330-I333 PolarHBondContact O-N 3.42Å; I333-L335 PolarHBondContact O-N 3.35Å; I333-W336 PolarHBondContact O-N 3.48Å; I333-N337 WeakPolarHBondContact O-CB 3.11Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 2.86Å
334H83.5Confident76Confident114 Ų114119.9 Ų119.953%0.52859%0.589SS.*Hα-helixtrans-60.1-46174.9-170.7-67.7000111.4H330 R331 W336 N337 S338H330-H334 WeakPolarHBondContact O-CB 3.23Å; H330-H334 PolarHBondContact O-N 3.5Å; R331-H334 PolarHBondContact O-N 2.8Å; H334-W336 VanDerWaalsContact C-N 3.34Å; H334-W336 PolarHBondContact O-N 3.29Å; H334-N337 PolarHBondContact O-N 2.7Å; H334-S338 PolarHBondContact CE1-OG 3.36Å; H334-S338 PolarHBondContact ND1-OG 3.45Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 2.75Å; H334-S338 PolarHBondContact O-OG 2.8Å
335L83.1Confident73.7Confident115 Ų115119 Ų11960%0.60260%0.597SS**Hα-helixtrans-59.7-44.1178.3-145.679.3000111.9R331 K332 I333 S338 I339R331-L335 WeakPolarHBondContact O-CB 3.2Å; R331-L335 PolarHBondContact O-N 2.66Å; K332-L335 PolarHBondContact O-N 3.21Å; I333-L335 PolarHBondContact O-N 3.35Å; L335-S338 PolarHBondContact O-N 2.72Å; L335-I339 WeakPolarHBondContact O-CG1 3.08Å; L335-I339 PolarHBondContact O-N 2.65Å
336W69.8Low70.7Confident164 Ų164124.3 Ų124.362%0.62161%0.614SS**Hα-helixtrans-63.6-44.6177-168.478.4000111.8K332 I333 H334 S338 I339 H340K332-W336 PolarHBondContact O-N 3.19Å; I333-W336 PolarHBondContact O-N 3.48Å; H334-W336 VanDerWaalsContact C-N 3.34Å; H334-W336 PolarHBondContact O-N 3.29Å; W336-S338 VanDerWaalsContact C-N 3.35Å; W336-S338 PolarHBondContact O-N 3.19Å; W336-I339 PolarHBondContact O-N 3.03Å; W336-H340 AromaticContact CD2-CD2 3.71Å; W336-H340 AromaticContact CE2-CD2 3.54Å; W336-H340 AromaticContact CE2-NE2 3.34Å; W336-H340 VanDerWaalsContact CE2-NE2 3.34Å; W336-H340 AromaticContact CZ2-CD2 3.75Å; W336-H340 AromaticContact CZ2-NE2 3.45Å; W336-H340 WeakPolarHBondContact CZ2-NE2 3.33Å; W336-H340 AromaticContact NE1-CD2 3.92Å; W336-H340 AromaticContact NE1-NE2 3.45Å; W336-H340 PolarHBondContact NE1-NE2 2.82Å; W336-H340 PolarHBondContact O-CD2 2.95Å; W336-H340 VanDerWaalsContact O-CD2 3.28Å; W336-H340 PolarHBondContact O-N 3.31Å; W336-H340 VanDerWaalsContact O-N 3.15Å
337N73.1Confident67.8Low87 Ų87124.9 Ų124.947%0.46563%0.63SS.*Hα-helixtrans-62.7-38.3174.3-69-13.8000112.3I333 H334 H340 G341I333-N337 WeakPolarHBondContact O-CB 3.11Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 2.86Å; H334-N337 PolarHBondContact O-N 2.7Å; N337-H340 PolarHBondContact O-N 2.91Å; N337-G341 PolarHBondContact O-N 2.87Å
338S68.8Low65.6Low59 Ų59126.6 Ų126.641%0.41365%0.647SS.*Hα-helixtrans-65.1-37.6175.9-60.20000112.5H334 L335 W336 G341H334-S338 PolarHBondContact CE1-OG 3.36Å; H334-S338 PolarHBondContact ND1-OG 3.45Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 2.75Å; H334-S338 PolarHBondContact O-OG 2.8Å; L335-S338 PolarHBondContact O-N 2.72Å; W336-S338 VanDerWaalsContact C-N 3.35Å; W336-S338 PolarHBondContact O-N 3.19Å; S338-G341 PolarHBondContact O-N 2.95Å
339I65Low62.9Low117 Ų117128.7 Ų128.760%0.666%0.664SS**Hα-helixtrans-67-40.4177-68.9162.6000111L335 W336L335-I339 WeakPolarHBondContact O-CG1 3.08Å; L335-I339 PolarHBondContact O-N 2.65Å; W336-I339 PolarHBondContact O-N 3.03Å
340H55Low59.8Low111 Ų111127.2 Ų127.251%0.51467%0.673SS.*Hα-helixtrans-77.1-20.1175.4-71.4-64.1000114W336 N337 L342W336-H340 AromaticContact CD2-CD2 3.71Å; W336-H340 AromaticContact CE2-CD2 3.54Å; W336-H340 AromaticContact CE2-NE2 3.34Å; W336-H340 VanDerWaalsContact CE2-NE2 3.34Å; W336-H340 AromaticContact CZ2-CD2 3.75Å; W336-H340 AromaticContact CZ2-NE2 3.45Å; W336-H340 WeakPolarHBondContact CZ2-NE2 3.33Å; W336-H340 AromaticContact NE1-CD2 3.92Å; W336-H340 AromaticContact NE1-NE2 3.45Å; W336-H340 PolarHBondContact NE1-NE2 2.82Å; W336-H340 PolarHBondContact O-CD2 2.95Å; W336-H340 VanDerWaalsContact O-CD2 3.28Å; W336-H340 PolarHBondContact O-N 3.31Å; W336-H340 VanDerWaalsContact O-N 3.15Å; N337-H340 PolarHBondContact O-N 2.91Å; H340-L342 PolarHBondContact O-N 2.98Å
341G44.1Very low57.3Low57 Ų57133.5 Ų133.559%0.58869%0.692SS**THydrogen-bonded Turntrans-68.1-13.3-178.800000115.9N337 S338N337-G341 PolarHBondContact O-N 2.87Å; S338-G341 PolarHBondContact O-N 2.95Å
342L46.9Very low55.5Low158 Ų158130.1 Ų130.183%0.82769%0.693SS**THydrogen-bonded Turntrans-90.12-177.8-73.4172.2000114.9H340H340-L342 PolarHBondContact O-N 2.98Å
343Q45.4Very low52.7Low185 Ų185131.5 Ų131.586%0.86470%0.702SS**  trans-108.875.6173.3-66.5-166.414.200112.2
344S33.8Very low50.1Low104 Ų104132.5 Ų132.573%0.72772%0.716SS**  trans-123.8119.8164.3-168.20000109.4
345P45.8Very low47.6Very low120 Ų120135.6 Ų135.678%0.77973%0.733SS**PPolyproline II helixtrans-67137.8-173.9-22.433.8000113.5S347P345-S347 PolarHBondContact O-N 2.81Å
346R34.2Very low45.2Very low240 Ų240138.6 Ų138.691%0.90675%0.749SS**PPolyproline II helixtrans-64.5131.8167.7-74.4179.4173.3154.4-2.8110.4P348R346-P348 WeakPolarHBondContact O-CD 3.48Å
347S33.3Very low43.8Very low120 Ų120139.3 Ų139.384%0.83976%0.759SS**PPolyproline II helixtrans-71.1140.2171.6-39.20000111.9P345P345-S347 PolarHBondContact O-N 2.81Å
348P47.7Very low41.8Very low130 Ų130141 Ų14184%0.84478%0.777SS**  trans-108.1169.5151.7-1.222.8000111.7R346R346-P348 WeakPolarHBondContact O-CD 3.48Å
349L36.9Very low40.3Very low183 Ų183146 Ų14696%0.95880%0.799SS**  trans-118139.3-169.3-170.376.8000110.7
350G29.4Very low38.7Very low70 Ų70146.4 Ų146.472%0.72281%0.807SS**  trans134.194.3153.400000120.4
351R37.4Very low37.9Very low252 Ų252148.6 Ų148.695%0.95182%0.822SS**  trans62.8163.8149.4-87.7-158.6166.7-173.1-3.2121.7
352P55.1Low37.6Very low107 Ų107154.6 Ų154.670%0.69584%0.837SS**  trans-125.6161.8-165.643.1-29.3000116.2
353E30.9Very low37Very low187 Ų187154.4 Ų154.487%0.87484%0.836SS**  trans-177.9118.4136.9-101.6163.3-174.300106.8
354S33.3Very low36.8Very low102 Ų102151 Ų15171%0.71383%0.83SS**  97.2117.978.4-168.30000112.5
355M30.3Very low37.1Very low180 Ų180154.2 Ų154.289%0.88784%0.838SS**  trans45.1109.9167.2-62.8-165.617700120
356L34.1Very low37.4Very low178 Ų178156.5 Ų156.593%0.93284%0.838SS**  -147.8152.7119.5-109.8174.1000110.3
357Q39.9Very low37.7Very low179 Ų179151 Ų15184%0.83683%0.834SS**  trans-91.1143-173.1-67.3170.5-29.400111.7
358S30.6Very low38.2Very low121 Ų121150.8 Ų150.885%0.84683%0.831SS**  trans-15590166.7-77.50000110.8
359N37.9Very low38.3Very low164 Ų164148.6 Ų148.688%0.87782%0.824SS**  trans-77.4119.1169.6-74.2-25.5000109.5
360T31.5Very low38.9Very low126 Ų126145.2 Ų145.277%0.77381%0.813SS**  trans-153.8114.6159.5-74.90000110.3
361L36.5Very low40.7Very low158 Ų158147.5 Ų147.583%0.82781%0.812SS**  trans50.798.2157.9-58.6173.9000118.5L363L361-L363 PolarHBondContact O-N 2.83Å
362M38Very low42.7Very low182 Ų182142 Ų14290%0.89780%0.799SS**PPolyproline II helixtrans-61.3120.6147.6-66.5-9676.700109.1
363L35.7Very low44Very low154 Ų154141.7 Ų141.781%0.80680%0.797SS**PPolyproline II helixtrans-68.7136.6156.2-83149.5000108.2L361 L365L361-L363 PolarHBondContact O-N 2.83Å; L363-L365 PolarHBondContact O-N 2.84Å
364P40Very low46.9Very low114 Ų114136.2 Ų136.274%0.7478%0.777SS**PPolyproline II helixtrans-63.6126.417027.5-32.4000108.4Q366P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 VanDerWaalsContact O-N 3.17Å
365L40.9Very low49.8Very low171 Ų171133.4 Ų133.490%0.89575%0.753SS**PPolyproline II helixtrans-54.8123.4166-71.5169.3000107.6L363L363-L365 PolarHBondContact O-N 2.84Å
366Q51Low52.9Low169 Ų169126.8 Ų126.879%0.7973%0.725SS**PPolyproline II helixtrans-55.5142.5170.2-83.6-166.9-18.200108.9P364 C368P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 VanDerWaalsContact O-N 3.17Å; Q366-C368 PolarHBondContact O-N 3.03Å
367P41Very low55.9Low125 Ų125118.8 Ų118.881%0.81268%0.684SS**  trans-56.7106.6163.3-19.331.8000107.8A369P367-A369 PolarHBondContact O-N 3.45Å
368C43.4Very low58.6Low115 Ų115111.9 Ų111.978%0.77766%0.658SS**  trans-54.9132.5175.2-67.80000107.9Q366Q366-C368 PolarHBondContact O-N 3.03Å
369A49.6Very low61.7Low84 Ų84110.7 Ų110.769%0.69464%0.638SS**  trans-49.6130.8178.900000109.2P367 V371P367-A369 PolarHBondContact O-N 3.45Å; A369-V371 PolarHBondContact O-N 3.21Å
370P50.8Low64.5Low112 Ų112105.8 Ų105.873%0.72761%0.613SS**  trans-59.8112.5-168.922.6-33.3000109.5M372P370-M372 PolarHBondContact O-N 3.49Å
371V66.7Low67.4Low117 Ų117102.9 Ų102.971%0.70959%0.593SS**  trans-62.1102.1-175.4176.60000108.4A369 N407A369-V371 PolarHBondContact O-N 3.21Å; V371-N407 WeakPolarHBondContact CG1-ND2 3.44Å
372M78.9Confident70.1Confident136 Ų13698.5 Ų98.567%0.6757%0.568SS**  trans-58.8128.5-172-70.4-99.572.900110.2P370 T374 N407P370-M372 PolarHBondContact O-N 3.49Å; M372-T374 PolarHBondContact O-N 2.84Å; M372-T374 PolarHBondContact O-OG1 3.36Å; M372-N407 PolarHBondContact O-ND2 3.3Å
373P83.9Confident72.6Confident101 Ų10193.2 Ų93.266%0.65654%0.544SS*.  trans-54.8104.5176.2-29.237.4000111.5V408P373-V408 HydrophobicContact CB-CG2 3.63Å
374T91.1Very high75.3Confident73 Ų7387.6 Ų87.645%0.44851%0.514SS..  trans-111.5111.7-174.6-57.90000109.2M372 G406 N407M372-T374 PolarHBondContact O-N 2.84Å; M372-T374 PolarHBondContact O-OG1 3.36Å; T374-G406 CarbonylContact O-C 3.58Å; T374-G406 WeakPolarHBondContact O-CA 3.46Å; T374-N407 PolarHBondContact N-OD1 2.89Å; T374-N407 PolarHBondContact O-N 3.21Å; T374-N407 PolarHBondContact O-OD1 3.21Å
375L94.3Very high77.9Confident42 Ų4286.3 Ų86.322%0.2251%0.506CS..  trans-88.1120.2173.2-72.2150.9000108.9V408 H467 F472L375-V408 HydrophobicContact CD2-CB 3.96Å; L375-V408 HydrophobicContact CD2-CG1 4.04Å; L375-V408 HydrophobicContact CG-CB 4.24Å; L375-V408 HydrophobicContact CG-CG2 4.34Å; L375-H467 HydrophobicContact CD1-CB 3.83Å; L375-H467 HydrophobicContact CD2-CB 4.08Å; L375-F472 HydrophobicContact CB-CB 4.3Å; L375-F472 HydrophobicContact CB-CD1 4.26Å; L375-F472 HydrophobicContact CB-CD2 4Å; L375-F472 HydrophobicContact CB-CE2 4.38Å; L375-F472 HydrophobicContact CB-CG 3.94Å; L375-F472 HydrophobicContact CD2-CE1 4.47Å; L375-F472 HydrophobicContact CD2-CZ 4.36Å
376S94.9Very high80.5Confident42 Ų4281.7 Ų81.729%0.29448%0.483SS..  trans-147.3152.8177.8-175.50000110.1N404 T405 G406S376-N404 PolarHBondContact O-OD1 2.82Å; S376-T405 VanDerWaalsContact C-OG1 3.28Å; S376-T405 PolarHBondContact O-N 2.83Å; S376-T405 VanDerWaalsContact O-N 3.16Å; S376-T405 PolarHBondContact OG-OG1 2.64Å; S376-G406 PolarHBondContact O-N 3.32Å; S376-G406 VanDerWaalsContact O-N 3.17Å
377A97Very high82.4Confident9 Ų974.9 Ų74.97%0.07446%0.457CS..EExtended strand (participates in β ladder)trans-141.8153.9175.500000110.2M402 K403 T405 W410 L465 F472 P474A377-M402 HydrophobicContact CB-CE 4.24Å; A377-K403 CarbonylContact C-O 3.59Å; A377-K403 VanDerWaalsContact CA-O 3.23Å; A377-K403 WeakPolarHBondContact CA-O 3.37Å; A377-T405 VanDerWaalsContact CA-OG1 3.25Å; A377-T405 WeakPolarHBondContact CA-OG1 3.4Å; A377-T405 PolarHBondContact N-OG1 3.47Å; A377-T405 VanDerWaalsContact N-OG1 3.13Å; A377-W410 HydrophobicContact CB-CH2 4.05Å; A377-W410 HydrophobicContact CB-CZ2 3.66Å; A377-L465 HydrophobicContact CB-CD1 3.64Å; A377-F472 HydrophobicContact CB-CD2 4.35Å; A377-F472 HydrophobicContact CB-CE2 4.11Å; A377-P474 WeakPolarHBondContact O-CD 3.25Å
378A96.5Very high85.1Confident34 Ų3470.6 Ų70.628%0.28143%0.429SS..EExtended strand (participates in β ladder)trans-125.3148.2166.400000110M402 K403 T405A378-M402 CarbonylContact O-C 3.54Å; A378-M402 VanDerWaalsContact O-CA 3.31Å; A378-M402 WeakPolarHBondContact O-CA 3.38Å; A378-K403 HydrophobicContact CB-CB 4.49Å; A378-K403 PolarHBondContact N-O 3.27Å; A378-K403 PolarHBondContact O-N 2.79Å; A378-T405 HydrophobicContact CB-CG2 3.79Å
379F96.6Very high87.6Confident96 Ų9670.2 Ų70.242%0.42142%0.416SS..EExtended strand (participates in β ladder)trans-73.2153.9168177.6-106.8000110.2D381 E382 W400 P474 V476F379-D381 VanDerWaalsContact CE2-O 3.23Å; F379-D381 WeakPolarHBondContact CE2-O 3.38Å; F379-D381 VanDerWaalsContact CZ-C 3.48Å; F379-E382 HydrophobicContact CE2-CB 4.13Å; F379-E382 HydrophobicContact CE2-CG 4.45Å; F379-E382 HydrophobicContact CZ-CB 4.02Å; F379-E382 HydrophobicContact CZ-CG 3.9Å; F379-W400 HydrophobicContact CE2-CB 4.35Å; F379-P474 HydrophobicContact CB-CG 4.34Å; F379-V476 HydrophobicContact CD2-CG1 4.12Å
380V95.9Very high89.8Confident61 Ų6167.6 Ų67.637%0.3739%0.39SS..EExtended strand (participates in β ladder)trans-131-59-179.7-1750000111.2R401 K403 V443V380-R401 HydrophobicContact CB-CB 4.2Å; V380-R401 HydrophobicContact CB-CG 4.13Å; V380-R401 WeakPolarHBondContact CB-O 3.28Å; V380-R401 HydrophobicContact CG1-CG 4.4Å; V380-R401 PolarHBondContact N-O 3.45Å; V380-K403 HydrophobicContact CG2-CB 3.95Å; V380-V443 HydrophobicContact CG2-CG1 4.13Å
381D92.1Very high92Very high66 Ų6666 Ų6635%0.35337%0.373SS..EExtended strand (participates in β ladder)trans-159.7175.1176.656.456.2000111.5F379 R401F379-D381 VanDerWaalsContact CE2-O 3.23Å; F379-D381 WeakPolarHBondContact CE2-O 3.38Å; F379-D381 VanDerWaalsContact CZ-C 3.48Å; D381-R401 PolarHBondContact O-N 2.61Å; D381-R401 WeakPolarHBondContact OD1-CB 3.25Å; D381-R401 WeakPolarHBondContact OD1-CD 3.23Å; D381-R401 WeakPolarHBondContact OD2-CD 3.21Å; D381-R401 IonicContact OD2-CZ 2.68Å; D381-R401 IonicContact OD2-NE 2.65Å; D381-R401 IonicContact OD2-NH1 2.61Å; D381-R401 PolarHBondContact OD2-NH1 3.29Å
382E94.7Very high93.4Very high65 Ų6561.2 Ų61.230%0.30434%0.344SS..EExtended strand (participates in β ladder)trans-150163.4177.660.8-179.6-153.600111.9F379 K398 H399F379-E382 HydrophobicContact CE2-CB 4.13Å; F379-E382 HydrophobicContact CE2-CG 4.45Å; F379-E382 HydrophobicContact CZ-CB 4.02Å; F379-E382 HydrophobicContact CZ-CG 3.9Å; E382-K398 IonicContact OE1-NZ 2.67Å; E382-K398 PolarHBondContact OE1-NZ 3.13Å; E382-K398 WeakPolarHBondContact OE2-CE 3.33Å; E382-K398 IonicContact OE2-NZ 3.46Å; E382-K398 PolarHBondContact OE2-NZ 3.37Å; E382-H399 WeakPolarHBondContact CA-O 3.39Å; E382-H399 VanDerWaalsContact CB-O 3.23Å; E382-H399 WeakPolarHBondContact CB-O 3.39Å
383N90.6Very high94.1Very high72 Ų7256.6 Ų56.639%0.38533%0.331SS..SBendtrans-97.4-23.4-171.472.1-37.6000116.1I397 K398 H399N383-I397 PolarHBondContact ND2-O 3.36Å; N383-K398 WeakPolarHBondContact OD1-CA 3.31Å; N383-H399 HydrophobicContact CB-CB 4.18Å; N383-H399 PolarHBondContact N-O 2.91Å; N383-H399 PolarHBondContact ND2-CD2 2.95Å; N383-H399 VanDerWaalsContact ND2-CD2 3.34Å; N383-H399 PolarHBondContact OD1-N 2.95Å; N383-H399 PolarHBondContact OD1-O 3.17Å
384L91.6Very high94.7Very high35 Ų3554.1 Ų54.118%0.18331%0.314CS..SBendtrans-125.5108.3-177.2-70.1167.2000108.2T388 F396 K398L384-T388 HydrophobicContact CD2-CG2 4.31Å; L384-F396 HydrophobicContact CD1-CB 4.48Å; L384-F396 HydrophobicContact CD1-CD2 3.41Å; L384-F396 VanDerWaalsContact CD1-CD2 3.41Å; L384-F396 HydrophobicContact CD1-CE2 3.96Å; L384-F396 HydrophobicContact CD1-CG 4.29Å; L384-K398 HydrophobicContact CB-CD 4.01Å; L384-K398 PolarHBondContact O-NZ 3.09Å
385P94Very high94.9Very high87 Ų8757.1 Ų57.157%0.56532%0.321SS*.  trans-59152.1177.7-25.235.2000112.8G387 T388P385-G387 PolarHBondContact O-N 2.83Å; P385-T388 WeakPolarHBondContact O-CB 3.44Å; P385-T388 PolarHBondContact O-N 2.8Å; P385-T388 PolarHBondContact O-OG1 3.3Å
386D95.6Very high95Very high75 Ų7556.1 Ų56.140%0.40132%0.315SS..THydrogen-bonded Turntrans-61133.6172.3-78.1-29.1000111.6W477 S479D386-W477 PolarHBondContact OD1-NE1 3.49Å; D386-W477 PolarHBondContact OD2-NE1 2.81Å; D386-S479 WeakPolarHBondContact CA-O 3.26Å; D386-S479 WeakPolarHBondContact OD1-CB 3.25Å; D386-S479 PolarHBondContact OD1-N 2.69Å; D386-S479 VanDerWaalsContact OD1-N 3.11Å
387G92.3Very high95Very high25 Ų2558 Ų5826%0.25832%0.321SS..THydrogen-bonded Turntrans86.110.4-175.800000113.9P385 H389 S479P385-G387 PolarHBondContact O-N 2.83Å; G387-H389 PolarHBondContact O-CD2 3.41Å; G387-H389 PolarHBondContact O-N 3.48Å; G387-S479 PolarHBondContact N-O 3.41Å
388T96.9Very high94.9Very high35 Ų3557.5 Ų57.522%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-56.1124.4172.3-62.80000110.3L384 P385 L390 I480 I481L384-T388 HydrophobicContact CD2-CG2 4.31Å; P385-T388 WeakPolarHBondContact O-CB 3.44Å; P385-T388 PolarHBondContact O-N 2.8Å; P385-T388 PolarHBondContact O-OG1 3.3Å; T388-L390 HydrophobicContact CG2-CD2 4.26Å; T388-L390 HydrophobicContact CG2-CG 4.35Å; T388-I480 VanDerWaalsContact O-CA 3.32Å; T388-I480 WeakPolarHBondContact O-CA 3.49Å; T388-I480 WeakPolarHBondContact O-CB 2.96Å; T388-I481 PolarHBondContact O-N 3.34Å
389H96.1Very high94.8Very high108 Ų10858.8 Ų58.850%0.532%0.317SS..EExtended strand (participates in β ladder)trans-76.4133.3175.2-78.8-108.7000110.9G387 I481 D483G387-H389 PolarHBondContact O-CD2 3.41Å; G387-H389 PolarHBondContact O-N 3.48Å; H389-I481 CarbonylContact C-O 3.45Å; H389-I481 WeakPolarHBondContact CA-O 3.47Å; H389-D483 IonicContact CE1-OD1 3.07Å; H389-D483 PolarHBondContact CE1-OD1 3.32Å; H389-D483 IonicContact CG-OD1 2.62Å; H389-D483 IonicContact CG-OD2 2.73Å; H389-D483 IonicContact ND1-OD1 3.14Å; H389-D483 PolarHBondContact ND1-OD1 2.85Å; H389-D483 IonicContact ND1-OD2 3.91Å; H389-D483 PolarHBondContact ND1-OD2 3.31Å
390L96.1Very high94.8Very high29 Ų2954.2 Ų54.215%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-139.3148.9179.9-66.3177.9000110.9T388 T394 F396 A452 I480 I481 V482 D483T388-L390 HydrophobicContact CG2-CD2 4.26Å; T388-L390 HydrophobicContact CG2-CG 4.35Å; L390-T394 HydrophobicContact CD2-CG2 4.44Å; L390-F396 HydrophobicContact CD1-CD1 3.46Å; L390-F396 VanDerWaalsContact CD1-CD1 3.46Å; L390-F396 HydrophobicContact CD1-CD2 4.45Å; L390-F396 HydrophobicContact CD1-CE1 3.41Å; L390-F396 VanDerWaalsContact CD1-CE1 3.41Å; L390-F396 HydrophobicContact CD1-CE2 4.4Å; L390-F396 HydrophobicContact CD1-CG 3.98Å; L390-F396 HydrophobicContact CD1-CZ 3.89Å; L390-A452 HydrophobicContact CB-CB 4.27Å; L390-I480 HydrophobicContact CD1-CB 4.3Å; L390-I480 HydrophobicContact CD1-CD1 3.98Å; L390-I480 HydrophobicContact CD1-CG2 3.91Å; L390-I481 PolarHBondContact N-O 2.95Å; L390-V482 WeakPolarHBondContact O-CA 3.16Å; L390-D483 PolarHBondContact O-N 3.18Å; L390-D483 VanDerWaalsContact O-N 3.13Å
391Q96.1Very high94.9Very high79 Ų7956.3 Ų56.337%0.36930%0.298SS..  trans-76.3150.2175.2-72.2-69.1-66.600111.6G393 T394Q391-G393 PolarHBondContact O-N 2.84Å; Q391-T394 VanDerWaalsContact O-CB 3.24Å; Q391-T394 WeakPolarHBondContact O-CB 3.01Å; Q391-T394 PolarHBondContact O-N 3.43Å; Q391-T394 PolarHBondContact O-OG1 2.84Å
392P96.3Very high95.1Very high15 Ų1553.1 Ų53.110%0.09728%0.281CS..THydrogen-bonded Turntrans-62.1138.4-176-16.227000112.3T394 P453 V482 D483 F485P392-T394 VanDerWaalsContact C-N 3.29Å; P392-T394 PolarHBondContact O-N 2.81Å; P392-P453 VanDerWaalsContact CA-O 3.29Å; P392-P453 WeakPolarHBondContact CA-O 3.4Å; P392-P453 WeakPolarHBondContact CB-O 3.23Å; P392-V482 HydrophobicContact CB-CG1 3.92Å; P392-V482 HydrophobicContact CG-CG1 3.71Å; P392-D483 WeakPolarHBondContact CD-O 3.18Å; P392-D483 VanDerWaalsContact CG-O 3.22Å; P392-D483 WeakPolarHBondContact CG-O 3.42Å; P392-F485 HydrophobicContact CB-CD2 4.47Å; P392-F485 HydrophobicContact CB-CE1 4.15Å; P392-F485 HydrophobicContact CB-CE2 3.75Å; P392-F485 HydrophobicContact CB-CZ 3.58Å; P392-F485 HydrophobicContact CG-CD1 4.21Å; P392-F485 HydrophobicContact CG-CD2 3.95Å; P392-F485 HydrophobicContact CG-CE1 4.01Å; P392-F485 HydrophobicContact CG-CE2 3.73Å; P392-F485 HydrophobicContact CG-CG 4.19Å; P392-F485 HydrophobicContact CG-CZ 3.77Å
393G94.1Very high95.2Very high40 Ų4054.2 Ų54.241%0.41229%0.285SS..THydrogen-bonded Turntrans79.9-4.3-176.400000115.9Q391 K395 A452 P453Q391-G393 PolarHBondContact O-N 2.84Å; G393-K395 PolarHBondContact O-N 2.89Å; G393-A452 WeakPolarHBondContact CA-O 3.44Å; G393-A452 PolarHBondContact N-O 3.39Å; G393-P453 PolarHBondContact N-O 2.83Å
394T95.5Very high95.5Very high49 Ų4950.8 Ų50.830%0.30127%0.267SS..  trans-58.5125.5179.5-60.20000111.8L390 Q391 P392 I451 A452L390-T394 HydrophobicContact CD2-CG2 4.44Å; Q391-T394 VanDerWaalsContact O-CB 3.24Å; Q391-T394 WeakPolarHBondContact O-CB 3.01Å; Q391-T394 PolarHBondContact O-N 3.43Å; Q391-T394 PolarHBondContact O-OG1 2.84Å; P392-T394 VanDerWaalsContact C-N 3.29Å; P392-T394 PolarHBondContact O-N 2.81Å; T394-I451 WeakPolarHBondContact O-CA 3.49Å; T394-A452 PolarHBondContact O-N 2.86Å
395K96.3Very high95.7Very high136 Ų13652.3 Ų52.359%0.59128%0.277SS*.EExtended strand (participates in β ladder)trans-83.5134.1167.8-76.1-175.8173-156.70110.9G393 F450 I451G393-K395 PolarHBondContact O-N 2.89Å; K395-F450 WeakPolarHBondContact CA-O 3.49Å; K395-I451 HydrophobicContact CG-CD1 4.42Å; K395-I451 HydrophobicContact CG-CG1 3.71Å
396F95.3Very high95.7Very high21 Ų2148.6 Ų48.69%0.09226%0.255CS..EExtended strand (participates in β ladder)trans-150.7159.617866-86.3000111.9L384 L390 L423 E449 F450 A452 I480L384-F396 HydrophobicContact CD1-CB 4.48Å; L384-F396 HydrophobicContact CD1-CD2 3.41Å; L384-F396 VanDerWaalsContact CD1-CD2 3.41Å; L384-F396 HydrophobicContact CD1-CE2 3.96Å; L384-F396 HydrophobicContact CD1-CG 4.29Å; L390-F396 HydrophobicContact CD1-CD1 3.46Å; L390-F396 VanDerWaalsContact CD1-CD1 3.46Å; L390-F396 HydrophobicContact CD1-CD2 4.45Å; L390-F396 HydrophobicContact CD1-CE1 3.41Å; L390-F396 VanDerWaalsContact CD1-CE1 3.41Å; L390-F396 HydrophobicContact CD1-CE2 4.4Å; L390-F396 HydrophobicContact CD1-CG 3.98Å; L390-F396 HydrophobicContact CD1-CZ 3.89Å; F396-L423 HydrophobicContact CE1-CD1 4.45Å; F396-L423 HydrophobicContact CZ-CD1 4.19Å; F396-L423 HydrophobicContact CZ-CD2 3.97Å; F396-E449 CarbonylContact O-C 3.45Å; F396-E449 WeakPolarHBondContact O-CA 3.15Å; F396-F450 HydrophobicContact CD1-CB 4.27Å; F396-F450 HydrophobicContact CD2-CB 4.27Å; F396-F450 HydrophobicContact CD2-CD2 4.48Å; F396-F450 HydrophobicContact CE1-CB 3.74Å; F396-F450 HydrophobicContact CE2-CB 3.76Å; F396-F450 AromaticContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CG 4.2Å; F396-F450 HydrophobicContact CZ-CB 3.48Å; F396-F450 VanDerWaalsContact CZ-CB 3.48Å; F396-F450 HydrophobicContact CZ-CD2 4.22Å; F396-F450 HydrophobicContact CZ-CG 4.17Å; F396-F450 PolarHBondContact N-O 2.89Å; F396-F450 PolarHBondContact O-N 2.9Å; F396-A452 HydrophobicContact CE1-CB 4.32Å; F396-I480 HydrophobicContact CE1-CD1 3.93Å; F396-I480 HydrophobicContact CE2-CG2 4.22Å; F396-I480 HydrophobicContact CZ-CD1 3.96Å; F396-I480 HydrophobicContact CZ-CG2 3.79Å
397I95.1Very high95.6Very high80 Ų8048.5 Ų48.541%0.4125%0.254SS..EExtended strand (participates in β ladder)trans-113.4121.1175.3-53.6171.2000108.6N383 H399 V448 E449N383-I397 PolarHBondContact ND2-O 3.36Å; I397-H399 WeakPolarHBondContact CG2-CE1 3.41Å; I397-V448 WeakPolarHBondContact CA-O 3.16Å; I397-E449 HydrophobicContact CG1-CB 4.22Å; I397-E449 HydrophobicContact CG1-CG 3.99Å
398K96Very high95.7Very high0 Ų048.9 Ų48.90%025%0.252CS..EExtended strand (participates in β ladder)trans-85.9134166.4179.880.6176.3-158.40108.3E382 N383 L384 W400 S447 V448 F450 W477 C478E382-K398 IonicContact OE1-NZ 2.67Å; E382-K398 PolarHBondContact OE1-NZ 3.13Å; E382-K398 WeakPolarHBondContact OE2-CE 3.33Å; E382-K398 IonicContact OE2-NZ 3.46Å; E382-K398 PolarHBondContact OE2-NZ 3.37Å; N383-K398 WeakPolarHBondContact OD1-CA 3.31Å; L384-K398 HydrophobicContact CB-CD 4.01Å; L384-K398 PolarHBondContact O-NZ 3.09Å; K398-W400 HydrophobicContact CB-CZ2 4.45Å; K398-W400 HydrophobicContact CG-CD2 4.21Å; K398-W400 HydrophobicContact CG-CH2 4.1Å; K398-W400 HydrophobicContact CG-CZ2 3.56Å; K398-S447 WeakPolarHBondContact O-CA 3.46Å; K398-V448 PolarHBondContact N-O 2.76Å; K398-V448 PolarHBondContact O-N 2.91Å; K398-F450 HydrophobicContact CB-CD2 4.04Å; K398-F450 HydrophobicContact CB-CE2 3.82Å; K398-W477 WeakPolarHBondContact CE-O 3.38Å; K398-W477 PolarHBondContact NZ-O 2.89Å; K398-C478 HydrophobicContact CB-CB 4.33Å; K398-C478 HydrophobicContact CD-CB 3.99Å; K398-C478 HydrophobicContact CG-CB 3.94Å
399H94.8Very high95.6Very high61 Ų6153.1 Ų53.128%0.28227%0.267SS..EExtended strand (participates in β ladder)trans-115.9133.4174.9-65.2-53.4000109.3E382 N383 I397 V445 V446 S447E382-H399 WeakPolarHBondContact CA-O 3.39Å; E382-H399 VanDerWaalsContact CB-O 3.23Å; E382-H399 WeakPolarHBondContact CB-O 3.39Å; N383-H399 HydrophobicContact CB-CB 4.18Å; N383-H399 PolarHBondContact N-O 2.91Å; N383-H399 PolarHBondContact ND2-CD2 2.95Å; N383-H399 VanDerWaalsContact ND2-CD2 3.34Å; N383-H399 PolarHBondContact OD1-N 2.95Å; N383-H399 PolarHBondContact OD1-O 3.17Å; I397-H399 WeakPolarHBondContact CG2-CE1 3.41Å; H399-V445 HydrophobicContact CB-CG1 3.65Å; H399-V446 WeakPolarHBondContact CA-O 3.41Å; H399-S447 PolarHBondContact CE1-OG 2.75Å; H399-S447 WeakPolarHBondContact ND1-CB 3.31Å; H399-S447 PolarHBondContact ND1-OG 2.88Å
400W96.8Very high95.6Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-119.4120.3164.2-51.9-81.4000108.9F379 K398 M402 L416 V446 V448 F450 W463 V476 W477 C478F379-W400 HydrophobicContact CE2-CB 4.35Å; K398-W400 HydrophobicContact CB-CZ2 4.45Å; K398-W400 HydrophobicContact CG-CD2 4.21Å; K398-W400 HydrophobicContact CG-CH2 4.1Å; K398-W400 HydrophobicContact CG-CZ2 3.56Å; W400-M402 HydrophobicContact CB-CG 4.4Å; W400-L416 HydrophobicContact CE3-CD2 4.03Å; W400-L416 HydrophobicContact CH2-CD2 4.38Å; W400-L416 HydrophobicContact CZ3-CD2 3.54Å; W400-V446 PolarHBondContact N-O 3.05Å; W400-V446 PolarHBondContact O-N 2.91Å; W400-V448 HydrophobicContact CH2-CB 4.35Å; W400-V448 HydrophobicContact CH2-CG2 4.18Å; W400-V448 HydrophobicContact CZ3-CB 4.19Å; W400-V448 HydrophobicContact CZ3-CG2 3.74Å; W400-F450 HydrophobicContact CH2-CE2 4.37Å; W400-F450 HydrophobicContact CH2-CZ 4.45Å; W400-W463 AromaticContact CH2-CD1 3.59Å; W400-W463 HydrophobicContact CH2-CG 4.01Å; W400-V476 HydrophobicContact CB-CG2 4.49Å; W400-V476 HydrophobicContact CD2-CB 4.07Å; W400-V476 HydrophobicContact CD2-CG2 3.67Å; W400-V476 HydrophobicContact CE3-CG2 4.03Å; W400-V476 HydrophobicContact CG-CB 3.88Å; W400-V476 HydrophobicContact CG-CG1 4.4Å; W400-V476 HydrophobicContact CG-CG2 3.9Å; W400-V476 HydrophobicContact CZ2-CG2 4.38Å; W400-W477 PolarHBondContact NE1-O 3.4Å; W400-C478 HydrophobicContact CZ2-CB 4.37Å
401R96.5Very high95.5Very high104 Ų10448 Ų4839%0.39225%0.246SC..EExtended strand (participates in β ladder)trans-82.3124.9172-167.6-172.3-174.4-167.54.1108.7V380 D381 V443 G444 V445V380-R401 HydrophobicContact CB-CB 4.2Å; V380-R401 HydrophobicContact CB-CG 4.13Å; V380-R401 WeakPolarHBondContact CB-O 3.28Å; V380-R401 HydrophobicContact CG1-CG 4.4Å; V380-R401 PolarHBondContact N-O 3.45Å; D381-R401 PolarHBondContact O-N 2.61Å; D381-R401 WeakPolarHBondContact OD1-CB 3.25Å; D381-R401 WeakPolarHBondContact OD1-CD 3.23Å; D381-R401 WeakPolarHBondContact OD2-CD 3.21Å; D381-R401 IonicContact OD2-CZ 2.68Å; D381-R401 IonicContact OD2-NE 2.65Å; D381-R401 IonicContact OD2-NH1 2.61Å; D381-R401 PolarHBondContact OD2-NH1 3.29Å; R401-V443 HydrophobicContact CG-CG1 3.5Å; R401-V443 VanDerWaalsContact CG-CG1 3.5Å; R401-G444 CarbonylContact C-O 3.59Å; R401-G444 WeakPolarHBondContact CA-O 3.42Å; R401-V445 HydrophobicContact CB-CG2 4.3Å; R401-V445 HydrophobicContact CG-CG2 4.22Å
402M96.6Very high95.3Very high0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-127.7142.1-175.3-56-170.381.900110.6A377 A378 W400 W410 L438 V443 G444 V446 L465 P474 V476A377-M402 HydrophobicContact CB-CE 4.24Å; A378-M402 CarbonylContact O-C 3.54Å; A378-M402 VanDerWaalsContact O-CA 3.31Å; A378-M402 WeakPolarHBondContact O-CA 3.38Å; W400-M402 HydrophobicContact CB-CG 4.4Å; M402-W410 HydrophobicContact CB-CH2 4.2Å; M402-L438 WeakPolarHBondContact O-CD1 3.1Å; M402-V443 WeakPolarHBondContact O-CA 3.27Å; M402-G444 PolarHBondContact N-O 2.9Å; M402-G444 PolarHBondContact O-N 3.46Å; M402-V446 HydrophobicContact CG-CG2 4.29Å; M402-V446 HydrophobicContact SD-CG2 4Å; M402-L465 HydrophobicContact CE-CD1 3.71Å; M402-L465 HydrophobicContact CE-CG 4.15Å; M402-L465 HydrophobicContact SD-CD1 3.81Å; M402-L465 HydrophobicContact SD-CD2 4.43Å; M402-L465 HydrophobicContact SD-CG 4.09Å; M402-P474 HydrophobicContact CE-CG 3.98Å; M402-V476 HydrophobicContact CE-CG1 3.94Å; M402-V476 HydrophobicContact SD-CG1 4.44Å
403K97.2Very high95Very high88 Ų8852.3 Ų52.338%0.38328%0.275SS..EExtended strand (participates in β ladder)trans-99.9130.3173.1-172172.1-174.8177.10109.5A377 A378 V380 T405 G441 H442 V443A377-K403 CarbonylContact C-O 3.59Å; A377-K403 VanDerWaalsContact CA-O 3.23Å; A377-K403 WeakPolarHBondContact CA-O 3.37Å; A378-K403 HydrophobicContact CB-CB 4.49Å; A378-K403 PolarHBondContact N-O 3.27Å; A378-K403 PolarHBondContact O-N 2.79Å; V380-K403 HydrophobicContact CG2-CB 3.95Å; K403-T405 HydrophobicContact CB-CG2 4.43Å; K403-T405 HydrophobicContact CD-CG2 4.27Å; K403-T405 HydrophobicContact CG-CG2 4.15Å; K403-T405 PolarHBondContact O-N 3.09Å; K403-G441 WeakPolarHBondContact CE-O 3.41Å; K403-H442 CarbonylContact C-O 3.59Å; K403-H442 WeakPolarHBondContact CA-O 3.45Å; K403-V443 HydrophobicContact CB-CG2 3.97Å; K403-V443 HydrophobicContact CD-CG2 4.12Å; K403-V443 HydrophobicContact CG-CG2 3.83Å
404N97.3Very high95.1Very high0 Ų050.6 Ų50.60%026%0.257CS..EExtended strand (participates in β ladder)trans-73.8103.8165.7-178.21000108.8S376 G406 V408 W410 L438 K439 G441 H442S376-N404 PolarHBondContact O-OD1 2.82Å; N404-G406 PolarHBondContact OD1-N 3.4Å; N404-V408 PolarHBondContact ND2-O 2.85Å; N404-W410 HydrophobicContact CB-CD2 4.31Å; N404-W410 HydrophobicContact CB-CH2 4.32Å; N404-W410 HydrophobicContact CB-CZ2 3.65Å; N404-W410 PolarHBondContact ND2-NE1 2.97Å; N404-W410 PolarHBondContact OD1-NE1 2.88Å; N404-L438 HydrophobicContact CB-CB 3.94Å; N404-L438 PolarHBondContact ND2-O 3.16Å; N404-K439 WeakPolarHBondContact CB-O 3.26Å; N404-K439 PolarHBondContact ND2-O 3.18Å; N404-G441 VanDerWaalsContact O-CA 3.24Å; N404-G441 WeakPolarHBondContact O-CA 3.23Å; N404-G441 PolarHBondContact O-N 2.88Å; N404-H442 PolarHBondContact N-O 2.79Å
405T96.1Very high95Very high66 Ų6652.1 Ų52.141%0.40526%0.259SS..  trans-95.41.3176.846.20000112.6S376 A377 A378 K403S376-T405 VanDerWaalsContact C-OG1 3.28Å; S376-T405 PolarHBondContact O-N 2.83Å; S376-T405 VanDerWaalsContact O-N 3.16Å; S376-T405 PolarHBondContact OG-OG1 2.64Å; A377-T405 VanDerWaalsContact CA-OG1 3.25Å; A377-T405 WeakPolarHBondContact CA-OG1 3.4Å; A377-T405 PolarHBondContact N-OG1 3.47Å; A377-T405 VanDerWaalsContact N-OG1 3.13Å; A378-T405 HydrophobicContact CB-CG2 3.79Å; K403-T405 HydrophobicContact CB-CG2 4.43Å; K403-T405 HydrophobicContact CD-CG2 4.27Å; K403-T405 HydrophobicContact CG-CG2 4.15Å; K403-T405 PolarHBondContact O-N 3.09Å
406G93.8Very high94.9Very high9 Ų945.7 Ų45.79%0.09323%0.231CC..SBendtrans-80.7173.7172.600000113T374 S376 N404 A440T374-G406 CarbonylContact O-C 3.58Å; T374-G406 WeakPolarHBondContact O-CA 3.46Å; S376-G406 PolarHBondContact O-N 3.32Å; S376-G406 VanDerWaalsContact O-N 3.17Å; N404-G406 PolarHBondContact OD1-N 3.4Å; G406-A440 WeakPolarHBondContact O-CB 3.39Å
407N92.9Very high94.8Very high73 Ų7349.3 Ų49.339%0.3925%0.247SC..SBendtrans-91-11.5170.664.429.8000112.5V371 M372 T374V371-N407 WeakPolarHBondContact CG1-ND2 3.44Å; M372-N407 PolarHBondContact O-ND2 3.3Å; T374-N407 PolarHBondContact N-OD1 2.89Å; T374-N407 PolarHBondContact O-N 3.21Å; T374-N407 PolarHBondContact O-OD1 3.21Å
408V94.1Very high94.7Very high34 Ų3449.3 Ų49.321%0.20624%0.244CC..SBendtrans-91.4129.4178.7-1730000110.9P373 L375 N404P373-V408 HydrophobicContact CB-CG2 3.63Å; L375-V408 HydrophobicContact CD2-CB 3.96Å; L375-V408 HydrophobicContact CD2-CG1 4.04Å; L375-V408 HydrophobicContact CG-CB 4.24Å; L375-V408 HydrophobicContact CG-CG2 4.34Å; N404-V408 PolarHBondContact ND2-O 2.85Å
409K95.7Very high94.6Very high123 Ų12352.1 Ų52.154%0.53526%0.258SS..PPolyproline II helixtrans-66.3130.1167.4-177.4-162171.2-167.60109.6C437 L438 K439K409-C437 WeakPolarHBondContact CE-O 3.41Å; K409-L438 CarbonylContact C-O 3.58Å; K409-L438 WeakPolarHBondContact CA-O 3.49Å; K409-L438 WeakPolarHBondContact CG-O 3.44Å; K409-K439 HydrophobicContact CG-CG 4.41Å
410W95.8Very high94.5Very high1 Ų154.9 Ų54.90%0.00427%0.266CS..PPolyproline II helixtrans-65141.4173-58.7-7.1000110.9A377 M402 N404 T414 V435 C437 L438 L465 F472A377-W410 HydrophobicContact CB-CH2 4.05Å; A377-W410 HydrophobicContact CB-CZ2 3.66Å; M402-W410 HydrophobicContact CB-CH2 4.2Å; N404-W410 HydrophobicContact CB-CD2 4.31Å; N404-W410 HydrophobicContact CB-CH2 4.32Å; N404-W410 HydrophobicContact CB-CZ2 3.65Å; N404-W410 PolarHBondContact ND2-NE1 2.97Å; N404-W410 PolarHBondContact OD1-NE1 2.88Å; W410-T414 HydrophobicContact CB-CG2 4.07Å; W410-T414 WeakPolarHBondContact CB-OG1 3Å; W410-T414 HydrophobicContact CD2-CG2 4.19Å; W410-T414 HydrophobicContact CE3-CG2 4.4Å; W410-T414 HydrophobicContact CG-CG2 4.03Å; W410-V435 HydrophobicContact CE3-CG1 3.53Å; W410-V435 HydrophobicContact CZ3-CG1 3.75Å; W410-C437 CarbonylContact O-C 3.43Å; W410-C437 WeakPolarHBondContact O-CA 3.26Å; W410-C437 VanDerWaalsContact O-CB 3.26Å; W410-C437 WeakPolarHBondContact O-CB 3.45Å; W410-L438 HydrophobicContact CD2-CB 4.17Å; W410-L438 HydrophobicContact CE3-CB 3.91Å; W410-L438 HydrophobicContact CE3-CD1 3.97Å; W410-L438 HydrophobicContact CE3-CG 3.88Å; W410-L438 HydrophobicContact CH2-CD1 4.02Å; W410-L438 HydrophobicContact CZ3-CB 4.34Å; W410-L438 HydrophobicContact CZ3-CD1 3.55Å; W410-L438 HydrophobicContact CZ3-CG 3.99Å; W410-L438 PolarHBondContact N-O 3.23Å; W410-L465 HydrophobicContact CH2-CD1 3.51Å; W410-L465 HydrophobicContact CZ2-CD1 3.82Å; W410-L465 HydrophobicContact CZ3-CD1 4.02Å; W410-F472 HydrophobicContact CD2-CZ 4.5Å; W410-F472 AromaticContact CE2-CE2 3.86Å; W410-F472 AromaticContact CE2-CZ 3.96Å; W410-F472 AromaticContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CZ 4.38Å; W410-F472 AromaticContact NE1-CE2 3.61Å; W410-F472 AromaticContact NE1-CZ 3.74Å
411S93.6Very high94.3Very high29 Ų2956.6 Ų56.620%0.20328%0.284CS..  trans-119.2-176.1-17866.20000110.6D413 T414 C437 H467S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.14Å; S411-D413 WeakPolarHBondContact OG-CB 3.46Å; S411-D413 PolarHBondContact OG-N 2.82Å; S411-D413 PolarHBondContact OG-OD2 3.38Å; S411-T414 PolarHBondContact N-OG1 3.12Å; S411-T414 VanDerWaalsContact O-CB 3.28Å; S411-T414 WeakPolarHBondContact O-CB 3.37Å; S411-T414 PolarHBondContact O-N 2.98Å; S411-C437 VanDerWaalsContact C-SG 3.56Å; S411-H467 PolarHBondContact OG-CE1 3.34Å; S411-H467 VanDerWaalsContact OG-CE1 3.22Å
412T90.8Very high94.1Very high119 Ų11955.6 Ų55.673%0.7329%0.286SS*.THydrogen-bonded Turntrans-57.1-16.7165.346.60000114T414T412-T414 VanDerWaalsContact C-N 3.28Å
413D91.7Very high93.9Very high65 Ų6555.9 Ų55.935%0.34829%0.288SS..THydrogen-bonded Turntrans-81.4-10.8174.4-35.2-60.8000112.3S411 H467 K468S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.14Å; S411-D413 WeakPolarHBondContact OG-CB 3.46Å; S411-D413 PolarHBondContact OG-N 2.82Å; S411-D413 PolarHBondContact OG-OD2 3.38Å; D413-H467 WeakPolarHBondContact O-CA 3.42Å; D413-H467 IonicContact OD2-CE1 3.86Å; D413-K468 HydrophobicContact CB-CD 4.36Å; D413-K468 HydrophobicContact CB-CG 3.55Å; D413-K468 PolarHBondContact O-N 3.47Å; D413-K468 VanDerWaalsContact O-N 3.09Å; D413-K468 WeakPolarHBondContact OD2-CE 3.34Å; D413-K468 IonicContact OD2-NZ 3.65Å
414T94.5Very high93.5Very high4 Ų454.8 Ų54.83%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-87.4120.6174.2-550000109.8W410 S411 T412 V435 S466 H467 F472W410-T414 HydrophobicContact CB-CG2 4.07Å; W410-T414 WeakPolarHBondContact CB-OG1 3Å; W410-T414 HydrophobicContact CD2-CG2 4.19Å; W410-T414 HydrophobicContact CE3-CG2 4.4Å; W410-T414 HydrophobicContact CG-CG2 4.03Å; S411-T414 PolarHBondContact N-OG1 3.12Å; S411-T414 VanDerWaalsContact O-CB 3.28Å; S411-T414 WeakPolarHBondContact O-CB 3.37Å; S411-T414 PolarHBondContact O-N 2.98Å; T412-T414 VanDerWaalsContact C-N 3.28Å; T414-V435 HydrophobicContact CG2-CB 4.21Å; T414-V435 HydrophobicContact CG2-CG1 4.03Å; T414-V435 HydrophobicContact CG2-CG2 4.48Å; T414-S466 CarbonylContact C-O 3.6Å; T414-S466 WeakPolarHBondContact CA-O 3.47Å; T414-H467 PolarHBondContact OG1-ND1 3.11Å; T414-F472 HydrophobicContact CG2-CE1 4.11Å; T414-F472 HydrophobicContact CG2-CZ 3.91Å
415K94Very high93.2Very high82 Ų8257.6 Ų57.636%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-133.7146.7-174.7-71.2165.5158-1660109.6D432 S466K415-D432 HydrophobicContact CB-CB 4.43Å; K415-D432 HydrophobicContact CD-CB 3.78Å; K415-D432 WeakPolarHBondContact CE-OD2 3.45Å; K415-D432 HydrophobicContact CG-CB 4.16Å; K415-D432 IonicContact NZ-OD2 3.45Å; K415-D432 PolarHBondContact NZ-OD2 2.94Å; K415-S466 PolarHBondContact N-O 2.79Å; K415-S466 PolarHBondContact O-N 3.3Å
416L94.6Very high92.6Very high0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-89.4115.9168.7-173.883000107.5W400 V433 V435 V446 V448 W463 L465 V476W400-L416 HydrophobicContact CE3-CD2 4.03Å; W400-L416 HydrophobicContact CH2-CD2 4.38Å; W400-L416 HydrophobicContact CZ3-CD2 3.54Å; L416-V433 HydrophobicContact CB-CB 4.09Å; L416-V433 HydrophobicContact CB-CG1 4.26Å; L416-V433 HydrophobicContact CD2-CG1 4.43Å; L416-V433 PolarHBondContact N-O 2.79Å; L416-V433 VanDerWaalsContact N-O 3.13Å; L416-V433 PolarHBondContact O-N 2.85Å; L416-V435 HydrophobicContact CB-CG2 3.89Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CD1-CG1 4.47Å; L416-V446 HydrophobicContact CD2-CG1 3.83Å; L416-V446 HydrophobicContact CG-CG1 4.28Å; L416-V448 HydrophobicContact CD2-CG2 4.05Å; L416-W463 HydrophobicContact CD1-CB 4.03Å; L416-W463 HydrophobicContact CD2-CB 3.8Å; L416-W463 HydrophobicContact CD2-CD2 3.97Å; L416-W463 HydrophobicContact CD2-CE3 3.78Å; L416-W463 HydrophobicContact CD2-CG 3.98Å; L416-W463 HydrophobicContact CG-CB 3.87Å; L416-W463 HydrophobicContact CG-CD2 4.38Å; L416-W463 HydrophobicContact CG-CE3 3.88Å; L416-W463 HydrophobicContact CG-CG 4.41Å; L416-L465 HydrophobicContact CB-CD2 4.34Å; L416-L465 HydrophobicContact CD1-CD2 3.84Å; L416-L465 HydrophobicContact CD1-CG 4.17Å; L416-V476 HydrophobicContact CD1-CG2 4.23Å
417K93.1Very high91.9Very high97 Ų9757.7 Ų57.742%0.42231%0.306SS..EExtended strand (participates in β ladder)trans-99.5131-173.9-172.7-171.9173.4-176.60110.3W463 R464K417-W463 VanDerWaalsContact C-CE3 3.47Å; K417-W463 WeakPolarHBondContact O-CA 3.42Å; K417-R464 PolarHBondContact N-O 2.87Å; K417-R464 PolarHBondContact O-N 2.9Å
418F93.4Very high90.5Very high81 Ų8161.2 Ų61.236%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-62.7139169.7-179.9-113.1000111.1W420 W463F418-W420 VanDerWaalsContact CE2-C 3.46Å; F418-W420 WeakPolarHBondContact CE2-O 3.41Å; F418-W463 HydrophobicContact CB-CD2 4.45Å; F418-W463 HydrophobicContact CB-CE3 4.06Å; F418-W463 HydrophobicContact CB-CH2 3.77Å; F418-W463 HydrophobicContact CB-CZ2 4.19Å; F418-W463 HydrophobicContact CB-CZ3 3.71Å; F418-W463 HydrophobicContact CD2-CD2 4.44Å; F418-W463 AromaticContact CD2-CE2 3.88Å; F418-W463 HydrophobicContact CD2-CH2 4.2Å; F418-W463 AromaticContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CG-CH2 4.4Å; F418-W463 HydrophobicContact CG-CZ2 4.4Å; F418-W463 VanDerWaalsContact N-CE3 3.29Å
419M92.9Very high88.6Confident59 Ų5967.3 Ų67.329%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-107.7-60.2177.2-53.2-16879.300111.6H462 R464 R475M419-H462 HydrophobicContact CB-CB 4.42Å; M419-H462 WeakPolarHBondContact CB-O 3.44Å; M419-H462 PolarHBondContact N-O 2.87Å; M419-R464 HydrophobicContact CE-CB 4.45Å; M419-R464 HydrophobicContact CG-CB 4.19Å; M419-R464 HydrophobicContact SD-CB 3.66Å; M419-R475 HydrophobicContact SD-CB 4.48Å; M419-R475 HydrophobicContact SD-CG 3.86Å
420W93.7Very high86.6Confident118 Ų11867.1 Ų67.145%0.44736%0.359SS..EExtended strand (participates in β ladder)trans-165.3165.5176.962.585.1000109.9F418 H462F418-W420 VanDerWaalsContact CE2-C 3.46Å; F418-W420 WeakPolarHBondContact CE2-O 3.41Å; W420-H462 AromaticContact CD1-CD2 3.41Å; W420-H462 VanDerWaalsContact CD1-CD2 3.41Å; W420-H462 HydrophobicContact CD2-CB 4.26Å; W420-H462 AromaticContact CE2-CD2 3.78Å; W420-H462 AromaticContact CE2-CG 3.78Å; W420-H462 HydrophobicContact CZ2-CB 4.2Å; W420-H462 AromaticContact NE1-CD2 2.99Å; W420-H462 PolarHBondContact NE1-CD2 2.98Å; W420-H462 AromaticContact NE1-CG 3.46Å; W420-H462 AromaticContact NE1-NE2 3.51Å; W420-H462 PolarHBondContact O-N 3.5Å
421G93Very high84.9Confident36 Ų3676 Ų7637%0.37140%0.398SS..EExtended strand (participates in β ladder)trans153.3161.917900000112.2T460G421-T460 CarbonylContact C-O 3.6Å; G421-T460 WeakPolarHBondContact CA-O 2.78Å
422N92.4Very high83.7Confident83 Ų8378 Ų7844%0.44441%0.406SS..SBendtrans-106.8-8.5174.260.3-31000113.2T458 Y459 T460N422-T458 PolarHBondContact ND2-O 2.84Å; N422-Y459 HydrophobicContact CB-CD1 4.1Å; N422-Y459 WeakPolarHBondContact ND2-CD1 3.41Å; N422-Y459 WeakPolarHBondContact OD1-CA 3.43Å; N422-T460 PolarHBondContact N-O 3.31Å; N422-T460 PolarHBondContact OD1-N 2.9Å; N422-T460 PolarHBondContact OD1-OG1 2.86Å
423L91.9Very high83.3Confident6 Ų673.2 Ų73.23%0.03138%0.377CS..PPolyproline II helixtrans-73.8127.2175.9176.561.3000111.7F396 F450 I451 T460 C478 I480F396-L423 HydrophobicContact CE1-CD1 4.45Å; F396-L423 HydrophobicContact CZ-CD1 4.19Å; F396-L423 HydrophobicContact CZ-CD2 3.97Å; L423-F450 HydrophobicContact CD1-CB 4.39Å; L423-F450 HydrophobicContact CD2-CB 4.16Å; L423-F450 HydrophobicContact CD2-CD1 3.76Å; L423-F450 HydrophobicContact CD2-CD2 4.05Å; L423-F450 HydrophobicContact CD2-CE1 4.1Å; L423-F450 HydrophobicContact CD2-CE2 4.35Å; L423-F450 HydrophobicContact CD2-CG 3.74Å; L423-F450 HydrophobicContact CD2-CZ 4.38Å; L423-F450 HydrophobicContact CG-CB 4.25Å; L423-F450 HydrophobicContact CG-CD1 3.76Å; L423-F450 HydrophobicContact CG-CE1 4.29Å; L423-F450 HydrophobicContact CG-CG 4.07Å; L423-I451 WeakPolarHBondContact CD1-O 3.44Å; L423-T460 WeakPolarHBondContact CB-O 3.3Å; L423-T460 PolarHBondContact N-O 3.42Å; L423-C478 HydrophobicContact CD2-CB 4.15Å; L423-I480 HydrophobicContact CD1-CD1 3.67Å; L423-I480 HydrophobicContact CD1-CG1 4.13Å
424T88.8Confident82.7Confident66 Ų6677.7 Ų77.741%0.40540%0.4SS..EExtended strand (participates in β ladder)trans-75.8132.4-179.834.90000113.5F450 I451T424-F450 WeakPolarHBondContact O-CA 3.44Å; T424-I451 PolarHBondContact O-N 2.8Å; T424-I451 PolarHBondContact OG1-O 2.99Å
425L90.4Very high82.4Confident58 Ų5878.2 Ų78.230%0.30440%0.403SS..EExtended strand (participates in β ladder)trans-69.1152.2166.9-78.583.3000110.9V448 F450 W463L425-V448 HydrophobicContact CD2-CG1 4.26Å; L425-V448 HydrophobicContact CG-CG1 4.31Å; L425-F450 HydrophobicContact CD1-CE1 4.25Å; L425-F450 HydrophobicContact CG-CD1 4.29Å; L425-F450 HydrophobicContact CG-CE1 4.16Å; L425-W463 HydrophobicContact CD1-CH2 4.3Å; L425-W463 HydrophobicContact CD1-CZ2 4.01Å; L425-W463 HydrophobicContact CD2-CH2 3.96Å; L425-W463 HydrophobicContact CD2-CZ2 4.27Å; L425-W463 HydrophobicContact CG-CZ2 4.37Å
426A84.1Confident82.4Confident20 Ų2076.6 Ų76.617%0.16540%0.401CS..SBendtrans-79.1-20.6176.700000114.4E449 I451A426-E449 HydrophobicContact CB-CB 3.89Å; A426-E449 VanDerWaalsContact CB-CD 3.42Å; A426-E449 HydrophobicContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-OE1 3.27Å; A426-E449 WeakPolarHBondContact CB-OE1 3.24Å; A426-E449 PolarHBondContact N-O 3.48Å; A426-I451 HydrophobicContact CB-CD1 4.16Å; A426-I451 HydrophobicContact CB-CG1 3.87Å
427S78.6Confident82.3Confident57 Ų5779.4 Ų79.440%0.39942%0.42SS..  trans-120131.3174.2176.30000111E429S427-E429 VanDerWaalsContact C-N 3.34Å; S427-E429 PolarHBondContact OG-N 2.95Å
428T63.4Low82.4Confident147 Ų14775.7 Ų75.790%0.90241%0.405SS*.SBendtrans-78-18.3-179.4-410000112.9
429E53.3Low82.5Confident162 Ų16277.9 Ų77.976%0.75741%0.414SS*.SBendtrans-85.6-23.2-162.1-62.5-168125.400115.1S427S427-E429 VanDerWaalsContact C-N 3.34Å; S427-E429 PolarHBondContact OG-N 2.95Å
430M54.6Low82.6Confident120 Ų12077.1 Ų77.159%0.59142%0.417SS*.  trans-123.3102.5-167.6-65.4-64.1148.100113.4D432M430-D432 VanDerWaalsContact C-N 3.28Å
431K60Low82.6Confident186 Ų18673.6 Ų73.681%0.80942%0.418SS*.SBendtrans-74.6-17.6168.4-68.4-177.4178.9177.10113.6
432D67.7Low82.7Confident72 Ų7276.4 Ų76.439%0.38542%0.421SS..EExtended strand (participates in β ladder)trans-112.6107.8-179.6-75.3-36.9000109.7K415 M430K415-D432 HydrophobicContact CB-CB 4.43Å; K415-D432 HydrophobicContact CD-CB 3.78Å; K415-D432 WeakPolarHBondContact CE-OD2 3.45Å; K415-D432 HydrophobicContact CG-CB 4.16Å; K415-D432 IonicContact NZ-OD2 3.45Å; K415-D432 PolarHBondContact NZ-OD2 2.94Å; M430-D432 VanDerWaalsContact C-N 3.28Å
433V83.6Confident83Confident18 Ų1875.3 Ų75.311%0.10942%0.417CS..EExtended strand (participates in β ladder)trans-83.6136.2-178.6167.40000110.3L416 V435 V446 S447 V448 W463L416-V433 HydrophobicContact CB-CB 4.09Å; L416-V433 HydrophobicContact CB-CG1 4.26Å; L416-V433 HydrophobicContact CD2-CG1 4.43Å; L416-V433 PolarHBondContact N-O 2.79Å; L416-V433 VanDerWaalsContact N-O 3.13Å; L416-V433 PolarHBondContact O-N 2.85Å; V433-V435 PolarHBondContact O-N 3.48Å; V433-V446 HydrophobicContact CG1-CG1 4.39Å; V433-S447 VanDerWaalsContact CG1-O 3.23Å; V433-S447 WeakPolarHBondContact CG1-O 3.37Å; V433-V448 HydrophobicContact CB-CG2 4.23Å; V433-V448 HydrophobicContact CG1-CG2 3.74Å; V433-V448 HydrophobicContact CG2-CG2 3.71Å; V433-W463 HydrophobicContact CB-CZ3 4.5Å; V433-W463 HydrophobicContact CG2-CH2 4.03Å; V433-W463 HydrophobicContact CG2-CZ3 3.72Å
434L78.4Confident83.1Confident160 Ų16075.8 Ų75.884%0.83842%0.424SS*.EExtended strand (participates in β ladder)trans-64.4128.4179.6-67176.7000111.5
435V89.5Confident83.4Confident15 Ų1575.7 Ų75.79%0.09142%0.423CS..  trans-111.8136.8177.3-1770000109.3W410 T414 L416 V433 C437 V446 L465W410-V435 HydrophobicContact CE3-CG1 3.53Å; W410-V435 HydrophobicContact CZ3-CG1 3.75Å; T414-V435 HydrophobicContact CG2-CB 4.21Å; T414-V435 HydrophobicContact CG2-CG1 4.03Å; T414-V435 HydrophobicContact CG2-CG2 4.48Å; L416-V435 HydrophobicContact CB-CG2 3.89Å; V433-V435 PolarHBondContact O-N 3.48Å; V435-C437 PolarHBondContact O-N 3.17Å; V435-V446 HydrophobicContact CG1-CG2 4.11Å; V435-V446 HydrophobicContact CG2-CG1 4.13Å; V435-L465 HydrophobicContact CB-CD2 4.48Å; V435-L465 HydrophobicContact CG1-CD2 3.89Å; V435-L465 HydrophobicContact CG2-CD2 3.72Å
436P92.1Very high83.6Confident48 Ų4873 Ų7331%0.31241%0.408SS..  trans-58.6140174.2-2332.8000112.1L438 V445P436-L438 HydrophobicContact CB-CD2 3.85Å; P436-L438 HydrophobicContact CB-CG 4.16Å; P436-L438 PolarHBondContact O-N 2.99Å; P436-V445 WeakPolarHBondContact CD-O 3.21Å; P436-V445 WeakPolarHBondContact CG-O 3.25Å
437C93.8Very high84.1Confident58 Ų5874.3 Ų74.339%0.39242%0.417SS..  trans-75.760.4-179.8-710000112.9K409 W410 S411 V435K409-C437 WeakPolarHBondContact CE-O 3.41Å; W410-C437 CarbonylContact O-C 3.43Å; W410-C437 WeakPolarHBondContact O-CA 3.26Å; W410-C437 VanDerWaalsContact O-CB 3.26Å; W410-C437 WeakPolarHBondContact O-CB 3.45Å; S411-C437 VanDerWaalsContact C-SG 3.56Å; V435-C437 PolarHBondContact O-N 3.17Å
438L94.9Very high84.8Confident19 Ų1971.9 Ų71.910%0.09940%0.399CS..PPolyproline II helixtrans-64.2130.1-173.1-60.8-171.1000113M402 N404 K409 W410 P436M402-L438 WeakPolarHBondContact O-CD1 3.1Å; N404-L438 HydrophobicContact CB-CB 3.94Å; N404-L438 PolarHBondContact ND2-O 3.16Å; K409-L438 CarbonylContact C-O 3.58Å; K409-L438 WeakPolarHBondContact CA-O 3.49Å; K409-L438 WeakPolarHBondContact CG-O 3.44Å; W410-L438 HydrophobicContact CD2-CB 4.17Å; W410-L438 HydrophobicContact CE3-CB 3.91Å; W410-L438 HydrophobicContact CE3-CD1 3.97Å; W410-L438 HydrophobicContact CE3-CG 3.88Å; W410-L438 HydrophobicContact CH2-CD1 4.02Å; W410-L438 HydrophobicContact CZ3-CB 4.34Å; W410-L438 HydrophobicContact CZ3-CD1 3.55Å; W410-L438 HydrophobicContact CZ3-CG 3.99Å; W410-L438 PolarHBondContact N-O 3.23Å; P436-L438 HydrophobicContact CB-CD2 3.85Å; P436-L438 HydrophobicContact CB-CG 4.16Å; P436-L438 PolarHBondContact O-N 2.99Å
439K95.5Very high86.3Confident127 Ų12768.8 Ų68.855%0.55238%0.375SS*.PPolyproline II helixtrans-65157.4165.7-62.8173.3-176.2172.90110.5N404 K409 G441 H442N404-K439 WeakPolarHBondContact CB-O 3.26Å; N404-K439 PolarHBondContact ND2-O 3.18Å; K409-K439 HydrophobicContact CG-CG 4.41Å; K439-G441 PolarHBondContact O-N 3.46Å; K439-H442 HydrophobicContact CB-CB 4.43Å; K439-H442 WeakPolarHBondContact O-CB 3.38Å; K439-H442 PolarHBondContact O-N 2.94Å; K439-H442 VanDerWaalsContact O-N 3.11Å
440A95.1Very high88.3Confident44 Ų4461.1 Ų61.136%0.36434%0.339SS..THydrogen-bonded Turntrans-49.7139.3169.700000111.2G406 H442G406-A440 WeakPolarHBondContact O-CB 3.39Å; A440-H442 PolarHBondContact O-N 3.5Å; A440-H442 VanDerWaalsContact O-N 3.12Å; A440-H442 PolarHBondContact O-ND1 3.43Å
441G93.5Very high90.3Very high44 Ų4457.7 Ų57.745%0.45432%0.322SS..THydrogen-bonded Turntrans72.9-13-177.200000116.4K403 N404 K439K403-G441 WeakPolarHBondContact CE-O 3.41Å; N404-G441 VanDerWaalsContact O-CA 3.24Å; N404-G441 WeakPolarHBondContact O-CA 3.23Å; N404-G441 PolarHBondContact O-N 2.88Å; K439-G441 PolarHBondContact O-N 3.46Å
442H96Very high92Very high94 Ų9448.8 Ų48.844%0.43528%0.284SS..  trans-84.1157.5-174.5-67.949000112.5K403 N404 K439 A440K403-H442 CarbonylContact C-O 3.59Å; K403-H442 WeakPolarHBondContact CA-O 3.45Å; N404-H442 PolarHBondContact N-O 2.79Å; K439-H442 HydrophobicContact CB-CB 4.43Å; K439-H442 WeakPolarHBondContact O-CB 3.38Å; K439-H442 PolarHBondContact O-N 2.94Å; K439-H442 VanDerWaalsContact O-N 3.11Å; A440-H442 PolarHBondContact O-N 3.5Å; A440-H442 VanDerWaalsContact O-N 3.12Å; A440-H442 PolarHBondContact O-ND1 3.43Å
443V96.8Very high93.4Very high61 Ų6146.2 Ų46.237%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-113.7145.6179.8-175.20000109.6V380 R401 M402 K403V380-V443 HydrophobicContact CG2-CG1 4.13Å; R401-V443 HydrophobicContact CG-CG1 3.5Å; R401-V443 VanDerWaalsContact CG-CG1 3.5Å; M402-V443 WeakPolarHBondContact O-CA 3.27Å; K403-V443 HydrophobicContact CB-CG2 3.97Å; K403-V443 HydrophobicContact CD-CG2 4.12Å; K403-V443 HydrophobicContact CG-CG2 3.83Å
444G94.6Very high93.8Very high16 Ų1651 Ų5117%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-163.4174.8171.400000112.1R401 M402R401-G444 CarbonylContact C-O 3.59Å; R401-G444 WeakPolarHBondContact CA-O 3.42Å; M402-G444 PolarHBondContact N-O 2.9Å; M402-G444 PolarHBondContact O-N 3.46Å
445V95.8Very high94.6Very high63 Ų6348.8 Ų48.838%0.38229%0.289SS..EExtended strand (participates in β ladder)trans-104.2134.1-173.6-178.80000110.8H399 R401 P436H399-V445 HydrophobicContact CB-CG1 3.65Å; R401-V445 HydrophobicContact CB-CG2 4.3Å; R401-V445 HydrophobicContact CG-CG2 4.22Å; P436-V445 WeakPolarHBondContact CD-O 3.21Å; P436-V445 WeakPolarHBondContact CG-O 3.25Å
446V94.9Very high94.9Very high1 Ų153.6 Ų53.61%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-106.3136.3168.6-165.50000108H399 W400 M402 L416 V433 V435H399-V446 WeakPolarHBondContact CA-O 3.41Å; W400-V446 PolarHBondContact N-O 3.05Å; W400-V446 PolarHBondContact O-N 2.91Å; M402-V446 HydrophobicContact CG-CG2 4.29Å; M402-V446 HydrophobicContact SD-CG2 4Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CD1-CG1 4.47Å; L416-V446 HydrophobicContact CD2-CG1 3.83Å; L416-V446 HydrophobicContact CG-CG1 4.28Å; V433-V446 HydrophobicContact CG1-CG1 4.39Å; V435-V446 HydrophobicContact CG1-CG2 4.11Å; V435-V446 HydrophobicContact CG2-CG1 4.13Å
447S93.8Very high95Very high49 Ų4952.8 Ų52.834%0.34331%0.31SS..EExtended strand (participates in β ladder)trans-131.2136.8-166.1-52.30000111.6K398 H399 V433K398-S447 WeakPolarHBondContact O-CA 3.46Å; H399-S447 PolarHBondContact CE1-OG 2.75Å; H399-S447 WeakPolarHBondContact ND1-CB 3.31Å; H399-S447 PolarHBondContact ND1-OG 2.88Å; V433-S447 VanDerWaalsContact CG1-O 3.23Å; V433-S447 WeakPolarHBondContact CG1-O 3.37Å
448V94.3Very high95.1Very high5 Ų554.1 Ų54.13%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-133.9130.5172.31790000110I397 K398 W400 L416 L425 V433 F450 W463I397-V448 WeakPolarHBondContact CA-O 3.16Å; K398-V448 PolarHBondContact N-O 2.76Å; K398-V448 PolarHBondContact O-N 2.91Å; W400-V448 HydrophobicContact CH2-CB 4.35Å; W400-V448 HydrophobicContact CH2-CG2 4.18Å; W400-V448 HydrophobicContact CZ3-CB 4.19Å; W400-V448 HydrophobicContact CZ3-CG2 3.74Å; L416-V448 HydrophobicContact CD2-CG2 4.05Å; L425-V448 HydrophobicContact CD2-CG1 4.26Å; L425-V448 HydrophobicContact CG-CG1 4.31Å; V433-V448 HydrophobicContact CB-CG2 4.23Å; V433-V448 HydrophobicContact CG1-CG2 3.74Å; V433-V448 HydrophobicContact CG2-CG2 3.71Å; V448-F450 HydrophobicContact CB-CD2 4.46Å; V448-F450 HydrophobicContact CB-CE2 3.79Å; V448-F450 HydrophobicContact CB-CZ 3.87Å; V448-F450 HydrophobicContact CG1-CD1 4.15Å; V448-F450 HydrophobicContact CG1-CD2 4.15Å; V448-F450 HydrophobicContact CG1-CE1 3.62Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CG 4.39Å; V448-F450 HydrophobicContact CG1-CZ 3.34Å; V448-W463 HydrophobicContact CG1-CH2 4.47Å; V448-W463 HydrophobicContact CG1-CZ2 4.06Å; V448-W463 HydrophobicContact CG2-CZ2 4.46Å
449E94.6Very high95.3Very high83 Ų8354.6 Ų54.639%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-88.3128.8173.8-162.9-167152.900110.2F396 I397 A426F396-E449 CarbonylContact O-C 3.45Å; F396-E449 WeakPolarHBondContact O-CA 3.15Å; I397-E449 HydrophobicContact CG1-CB 4.22Å; I397-E449 HydrophobicContact CG1-CG 3.99Å; A426-E449 HydrophobicContact CB-CB 3.89Å; A426-E449 VanDerWaalsContact CB-CD 3.42Å; A426-E449 HydrophobicContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-OE1 3.27Å; A426-E449 WeakPolarHBondContact CB-OE1 3.24Å; A426-E449 PolarHBondContact N-O 3.48Å
450F95.1Very high95.3Very high0 Ų050.3 Ų50.30%030%0.302CS..EExtended strand (participates in β ladder)trans-123.4155.8-178.3-66.4-69.7000110.8K395 F396 K398 W400 L423 T424 L425 V448 S461 W463 C478K395-F450 WeakPolarHBondContact CA-O 3.49Å; F396-F450 HydrophobicContact CD1-CB 4.27Å; F396-F450 HydrophobicContact CD2-CB 4.27Å; F396-F450 HydrophobicContact CD2-CD2 4.48Å; F396-F450 HydrophobicContact CE1-CB 3.74Å; F396-F450 HydrophobicContact CE2-CB 3.76Å; F396-F450 AromaticContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CG 4.2Å; F396-F450 HydrophobicContact CZ-CB 3.48Å; F396-F450 VanDerWaalsContact CZ-CB 3.48Å; F396-F450 HydrophobicContact CZ-CD2 4.22Å; F396-F450 HydrophobicContact CZ-CG 4.17Å; F396-F450 PolarHBondContact N-O 2.89Å; F396-F450 PolarHBondContact O-N 2.9Å; K398-F450 HydrophobicContact CB-CD2 4.04Å; K398-F450 HydrophobicContact CB-CE2 3.82Å; W400-F450 HydrophobicContact CH2-CE2 4.37Å; W400-F450 HydrophobicContact CH2-CZ 4.45Å; L423-F450 HydrophobicContact CD1-CB 4.39Å; L423-F450 HydrophobicContact CD2-CB 4.16Å; L423-F450 HydrophobicContact CD2-CD1 3.76Å; L423-F450 HydrophobicContact CD2-CD2 4.05Å; L423-F450 HydrophobicContact CD2-CE1 4.1Å; L423-F450 HydrophobicContact CD2-CE2 4.35Å; L423-F450 HydrophobicContact CD2-CG 3.74Å; L423-F450 HydrophobicContact CD2-CZ 4.38Å; L423-F450 HydrophobicContact CG-CB 4.25Å; L423-F450 HydrophobicContact CG-CD1 3.76Å; L423-F450 HydrophobicContact CG-CE1 4.29Å; L423-F450 HydrophobicContact CG-CG 4.07Å; T424-F450 WeakPolarHBondContact O-CA 3.44Å; L425-F450 HydrophobicContact CD1-CE1 4.25Å; L425-F450 HydrophobicContact CG-CD1 4.29Å; L425-F450 HydrophobicContact CG-CE1 4.16Å; V448-F450 HydrophobicContact CB-CD2 4.46Å; V448-F450 HydrophobicContact CB-CE2 3.79Å; V448-F450 HydrophobicContact CB-CZ 3.87Å; V448-F450 HydrophobicContact CG1-CD1 4.15Å; V448-F450 HydrophobicContact CG1-CD2 4.15Å; V448-F450 HydrophobicContact CG1-CE1 3.62Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CG 4.39Å; V448-F450 HydrophobicContact CG1-CZ 3.34Å; F450-S461 WeakPolarHBondContact CE1-OG 3.42Å; F450-W463 HydrophobicContact CE1-CZ2 4.19Å; F450-W463 HydrophobicContact CZ-CZ2 4.21Å; F450-W463 AromaticContact CZ-NE1 3.62Å; F450-C478 HydrophobicContact CE2-CB 4.05Å
451I95.8Very high95.4Very high48 Ų4848.2 Ų48.225%0.24629%0.285CS..EExtended strand (participates in β ladder)trans-110.8127.2165-75165.7000106.9T394 K395 L423 T424 A426 P453T394-I451 WeakPolarHBondContact O-CA 3.49Å; K395-I451 HydrophobicContact CG-CD1 4.42Å; K395-I451 HydrophobicContact CG-CG1 3.71Å; L423-I451 WeakPolarHBondContact CD1-O 3.44Å; T424-I451 PolarHBondContact O-N 2.8Å; T424-I451 PolarHBondContact OG1-O 2.99Å; A426-I451 HydrophobicContact CB-CD1 4.16Å; A426-I451 HydrophobicContact CB-CG1 3.87Å; I451-P453 WeakPolarHBondContact O-CD 3.13Å
452A96.6Very high95.5Very high0 Ų047.4 Ų47.40%027%0.269CS..  trans-62.1124.2163.900000108.8L390 G393 T394 F396 I480 V482L390-A452 HydrophobicContact CB-CB 4.27Å; G393-A452 WeakPolarHBondContact CA-O 3.44Å; G393-A452 PolarHBondContact N-O 3.39Å; T394-A452 PolarHBondContact O-N 2.86Å; F396-A452 HydrophobicContact CE1-CB 4.32Å; A452-I480 HydrophobicContact CB-CD1 3.97Å; A452-V482 HydrophobicContact CB-CG2 4.01Å
453P95.7Very high95.5Very high17 Ų1743 Ų4311%0.1125%0.249CC..  trans-57.4166.9179.9-31.840.8000114.3P392 G393 I451 Y459P392-P453 VanDerWaalsContact CA-O 3.29Å; P392-P453 WeakPolarHBondContact CA-O 3.4Å; P392-P453 WeakPolarHBondContact CB-O 3.23Å; G393-P453 PolarHBondContact N-O 2.83Å; I451-P453 WeakPolarHBondContact O-CD 3.13Å; P453-Y459 HydrophobicContact CB-CD1 4.45Å; P453-Y459 HydrophobicContact CB-CE1 3.97Å; P453-Y459 HydrophobicContact CB-CE2 4.06Å; P453-Y459 HydrophobicContact CG-CD1 3.65Å; P453-Y459 HydrophobicContact CG-CD2 4.1Å; P453-Y459 HydrophobicContact CG-CE1 3.63Å; P453-Y459 HydrophobicContact CG-CE2 4.08Å; P453-Y459 HydrophobicContact CG-CG 3.89Å
454T93.8Very high95.5Very high119 Ų11944.1 Ų44.173%0.7325%0.246SC*.SBendtrans-83.2-10.318048.70000114.4
455L95.2Very high95.6Very high114 Ų11443.3 Ų43.360%0.59724%0.238SC*.SBendtrans-103.7145.1176.5-176.766.5000109.1Y459 V482L455-Y459 WeakPolarHBondContact O-CE2 3.32Å; L455-Y459 PolarHBondContact O-OH 2.82Å; L455-V482 WeakPolarHBondContact O-CG1 3.18Å
456E95Very high95.6Very high116 Ų11640.8 Ų40.854%0.54222%0.223SC..  trans-65.8158.4175.761.2179.2-171.700113.1V482 P484E456-V482 CarbonylContact C-O 3.57Å; E456-V482 VanDerWaalsContact CA-O 3.28Å; E456-V482 WeakPolarHBondContact CA-O 3.41Å; E456-P484 WeakPolarHBondContact OE2-CB 3.28Å
457G94.4Very high95.5Very high30 Ų3041.7 Ų41.731%0.30923%0.227SC..EExtended strand (participates in β ladder)trans120.8-172.6173.200000114.7Y459 V482G457-Y459 VanDerWaalsContact O-CD2 3.24Å; G457-Y459 WeakPolarHBondContact O-CD2 3.33Å; G457-V482 PolarHBondContact N-O 3.29Å; G457-V482 PolarHBondContact O-N 3.45Å
458T96.8Very high95.4Very high86 Ų8646.5 Ų46.553%0.52824%0.242SC..EExtended strand (participates in β ladder)trans-89.8127.9-173.4-44.80000112.4N422 I480 I481N422-T458 PolarHBondContact ND2-O 2.84Å; T458-I480 WeakPolarHBondContact CA-O 3.45Å; T458-I481 HydrophobicContact CG2-CG1 4.44Å
459Y97.3Very high95.1Very high29 Ų2949.1 Ų49.111%0.11427%0.27CS..EExtended strand (participates in β ladder)trans-125.6129.6-178.7-66.9-85.1000112N422 P453 L455 G457 S479 I480 V482N422-Y459 HydrophobicContact CB-CD1 4.1Å; N422-Y459 WeakPolarHBondContact ND2-CD1 3.41Å; N422-Y459 WeakPolarHBondContact OD1-CA 3.43Å; P453-Y459 HydrophobicContact CB-CD1 4.45Å; P453-Y459 HydrophobicContact CB-CE1 3.97Å; P453-Y459 HydrophobicContact CB-CE2 4.06Å; P453-Y459 HydrophobicContact CG-CD1 3.65Å; P453-Y459 HydrophobicContact CG-CD2 4.1Å; P453-Y459 HydrophobicContact CG-CE1 3.63Å; P453-Y459 HydrophobicContact CG-CE2 4.08Å; P453-Y459 HydrophobicContact CG-CG 3.89Å; L455-Y459 WeakPolarHBondContact O-CE2 3.32Å; L455-Y459 PolarHBondContact O-OH 2.82Å; G457-Y459 VanDerWaalsContact O-CD2 3.24Å; G457-Y459 WeakPolarHBondContact O-CD2 3.33Å; Y459-S479 WeakPolarHBondContact O-CA 3.37Å; Y459-I480 PolarHBondContact N-O 2.71Å; Y459-I480 PolarHBondContact O-N 2.95Å; Y459-V482 HydrophobicContact CD2-CB 4.24Å; Y459-V482 HydrophobicContact CD2-CG2 3.69Å; Y459-V482 HydrophobicContact CE2-CB 4.14Å; Y459-V482 HydrophobicContact CE2-CG2 3.94Å
460T97.1Very high95Very high37 Ų3752.1 Ų52.123%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-123.9153-176.860.40000112.7G421 N422 L423 C478G421-T460 CarbonylContact C-O 3.6Å; G421-T460 WeakPolarHBondContact CA-O 2.78Å; N422-T460 PolarHBondContact N-O 3.31Å; N422-T460 PolarHBondContact OD1-N 2.9Å; N422-T460 PolarHBondContact OD1-OG1 2.86Å; L423-T460 WeakPolarHBondContact CB-O 3.3Å; L423-T460 PolarHBondContact N-O 3.42Å; T460-C478 CarbonylContact C-O 3.53Å; T460-C478 WeakPolarHBondContact CA-O 3.38Å
461S96.5Very high95Very high0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-144.2117173.1-154.90000110.5F450 W463 W477 C478F450-S461 WeakPolarHBondContact CE1-OG 3.42Å; S461-W463 PolarHBondContact OG-NE1 2.87Å; S461-W477 CarbonylContact O-C 3.55Å; S461-W477 WeakPolarHBondContact O-CA 3.28Å; S461-W477 WeakPolarHBondContact O-CB 3.42Å; S461-C478 PolarHBondContact N-O 2.92Å; S461-C478 PolarHBondContact O-N 3.17Å
462H96.3Very high95Very high27 Ų2754.9 Ų54.913%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-109.3138.4-177-61.6-93000112.3M419 W420 R475 W477M419-H462 HydrophobicContact CB-CB 4.42Å; M419-H462 WeakPolarHBondContact CB-O 3.44Å; M419-H462 PolarHBondContact N-O 2.87Å; W420-H462 AromaticContact CD1-CD2 3.41Å; W420-H462 VanDerWaalsContact CD1-CD2 3.41Å; W420-H462 HydrophobicContact CD2-CB 4.26Å; W420-H462 AromaticContact CE2-CD2 3.78Å; W420-H462 AromaticContact CE2-CG 3.78Å; W420-H462 HydrophobicContact CZ2-CB 4.2Å; W420-H462 AromaticContact NE1-CD2 2.99Å; W420-H462 PolarHBondContact NE1-CD2 2.98Å; W420-H462 AromaticContact NE1-CG 3.46Å; W420-H462 AromaticContact NE1-NE2 3.51Å; W420-H462 PolarHBondContact O-N 3.5Å; H462-R475 HydrophobicContact CB-CG 4.38Å; H462-W477 HydrophobicContact CB-CB 4.29Å; H462-W477 AromaticContact CE1-CG 3.73Å; H462-W477 WeakPolarHBondContact ND1-CB 3.4Å; H462-W477 AromaticContact ND1-CD2 3.93Å; H462-W477 AromaticContact ND1-CG 3.57Å
463W96.1Very high95Very high2 Ų255.7 Ų55.71%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-139.7153.9-167.7-63.381.6000111.8W400 L416 K417 F418 L425 V433 V448 F450 S461 R475 V476W400-W463 AromaticContact CH2-CD1 3.59Å; W400-W463 HydrophobicContact CH2-CG 4.01Å; L416-W463 HydrophobicContact CD1-CB 4.03Å; L416-W463 HydrophobicContact CD2-CB 3.8Å; L416-W463 HydrophobicContact CD2-CD2 3.97Å; L416-W463 HydrophobicContact CD2-CE3 3.78Å; L416-W463 HydrophobicContact CD2-CG 3.98Å; L416-W463 HydrophobicContact CG-CB 3.87Å; L416-W463 HydrophobicContact CG-CD2 4.38Å; L416-W463 HydrophobicContact CG-CE3 3.88Å; L416-W463 HydrophobicContact CG-CG 4.41Å; K417-W463 VanDerWaalsContact C-CE3 3.47Å; K417-W463 WeakPolarHBondContact O-CA 3.42Å; F418-W463 HydrophobicContact CB-CD2 4.45Å; F418-W463 HydrophobicContact CB-CE3 4.06Å; F418-W463 HydrophobicContact CB-CH2 3.77Å; F418-W463 HydrophobicContact CB-CZ2 4.19Å; F418-W463 HydrophobicContact CB-CZ3 3.71Å; F418-W463 HydrophobicContact CD2-CD2 4.44Å; F418-W463 AromaticContact CD2-CE2 3.88Å; F418-W463 HydrophobicContact CD2-CH2 4.2Å; F418-W463 AromaticContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CG-CH2 4.4Å; F418-W463 HydrophobicContact CG-CZ2 4.4Å; F418-W463 VanDerWaalsContact N-CE3 3.29Å; L425-W463 HydrophobicContact CD1-CH2 4.3Å; L425-W463 HydrophobicContact CD1-CZ2 4.01Å; L425-W463 HydrophobicContact CD2-CH2 3.96Å; L425-W463 HydrophobicContact CD2-CZ2 4.27Å; L425-W463 HydrophobicContact CG-CZ2 4.37Å; V433-W463 HydrophobicContact CB-CZ3 4.5Å; V433-W463 HydrophobicContact CG2-CH2 4.03Å; V433-W463 HydrophobicContact CG2-CZ3 3.72Å; V448-W463 HydrophobicContact CG1-CH2 4.47Å; V448-W463 HydrophobicContact CG1-CZ2 4.06Å; V448-W463 HydrophobicContact CG2-CZ2 4.46Å; F450-W463 HydrophobicContact CE1-CZ2 4.19Å; F450-W463 HydrophobicContact CZ-CZ2 4.21Å; F450-W463 AromaticContact CZ-NE1 3.62Å; S461-W463 PolarHBondContact OG-NE1 2.87Å; W463-R475 WeakPolarHBondContact O-CA 3.35Å; W463-V476 HydrophobicContact CB-CG2 4.08Å; W463-V476 PolarHBondContact N-O 3.38Å; W463-V476 PolarHBondContact O-N 2.85Å
464R96.3Very high95Very high84 Ų8456.9 Ų56.932%0.31731%0.312SS..EExtended strand (participates in β ladder)trans-148.3146.4174-166.6168.7-166.8-167.36.4111.9K417 M419 G473K417-R464 PolarHBondContact N-O 2.87Å; K417-R464 PolarHBondContact O-N 2.9Å; M419-R464 HydrophobicContact CE-CB 4.45Å; M419-R464 HydrophobicContact CG-CB 4.19Å; M419-R464 HydrophobicContact SD-CB 3.66Å; R464-G473 PolarHBondContact NE-O 3.25Å; R464-G473 PolarHBondContact NH2-O 3.36Å
465L96.1Very high95.2Very high0 Ų056.1 Ų56.10%030%0.296CS..EExtended strand (participates in β ladder)trans-68140.6175.1-68.7173.7000110.9A377 M402 W410 L416 V435 Q471 F472A377-L465 HydrophobicContact CB-CD1 3.64Å; M402-L465 HydrophobicContact CE-CD1 3.71Å; M402-L465 HydrophobicContact CE-CG 4.15Å; M402-L465 HydrophobicContact SD-CD1 3.81Å; M402-L465 HydrophobicContact SD-CD2 4.43Å; M402-L465 HydrophobicContact SD-CG 4.09Å; W410-L465 HydrophobicContact CH2-CD1 3.51Å; W410-L465 HydrophobicContact CZ2-CD1 3.82Å; W410-L465 HydrophobicContact CZ3-CD1 4.02Å; L416-L465 HydrophobicContact CB-CD2 4.34Å; L416-L465 HydrophobicContact CD1-CD2 3.84Å; L416-L465 HydrophobicContact CD1-CG 4.17Å; V435-L465 HydrophobicContact CB-CD2 4.48Å; V435-L465 HydrophobicContact CG1-CD2 3.89Å; V435-L465 HydrophobicContact CG2-CD2 3.72Å; L465-Q471 CarbonylContact O-C 3.58Å; L465-Q471 WeakPolarHBondContact O-CA 3.23Å; L465-F472 HydrophobicContact CB-CD1 4.14Å; L465-F472 HydrophobicContact CB-CD2 4.49Å; L465-F472 HydrophobicContact CB-CE1 3.72Å; L465-F472 HydrophobicContact CB-CE2 4.13Å; L465-F472 HydrophobicContact CB-CZ 3.73Å; L465-F472 HydrophobicContact CD1-CE2 3.98Å; L465-F472 HydrophobicContact CD1-CZ 4.01Å; L465-F472 HydrophobicContact CG-CZ 4.44Å; L465-F472 PolarHBondContact O-N 3.48Å
466S95.1Very high95.3Very high10 Ų1050.9 Ų50.97%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-136134.7177.4-178.80000109.1T414 K415 G469 Q470T414-S466 CarbonylContact C-O 3.6Å; T414-S466 WeakPolarHBondContact CA-O 3.47Å; K415-S466 PolarHBondContact N-O 2.79Å; K415-S466 PolarHBondContact O-N 3.3Å; S466-G469 VanDerWaalsContact OG-C 3.29Å; S466-G469 WeakPolarHBondContact OG-CA 3.49Å; S466-G469 PolarHBondContact OG-O 3.45Å; S466-Q470 CarbonylContact C-O 3.55Å; S466-Q470 VanDerWaalsContact CA-O 3.3Å; S466-Q470 WeakPolarHBondContact CA-O 3.36Å
467H94.3Very high95.4Very high19 Ų1949.5 Ų49.59%0.08826%0.258CS..EExtended strand (participates in β ladder)trans-123.7121173.4179.792.6000108.6L375 S411 D413 T414 G469 Q470 F472L375-H467 HydrophobicContact CD1-CB 3.83Å; L375-H467 HydrophobicContact CD2-CB 4.08Å; S411-H467 PolarHBondContact OG-CE1 3.34Å; S411-H467 VanDerWaalsContact OG-CE1 3.22Å; D413-H467 WeakPolarHBondContact O-CA 3.42Å; D413-H467 IonicContact OD2-CE1 3.86Å; T414-H467 PolarHBondContact OG1-ND1 3.11Å; H467-G469 PolarHBondContact O-N 3.03Å; H467-G469 VanDerWaalsContact O-N 3.12Å; H467-Q470 PolarHBondContact N-O 3.46Å; H467-Q470 PolarHBondContact O-N 3.08Å; H467-F472 HydrophobicContact CB-CD1 4.23Å; H467-F472 HydrophobicContact CB-CE1 3.77Å
468K91.3Very high95.5Very high150 Ų15048.1 Ų48.165%0.65224%0.244SC*.THydrogen-bonded Turntrans52.433.2-176.3-60.9173.7-177.7166.90113.2D413D413-K468 HydrophobicContact CB-CD 4.36Å; D413-K468 HydrophobicContact CB-CG 3.55Å; D413-K468 PolarHBondContact O-N 3.47Å; D413-K468 VanDerWaalsContact O-N 3.09Å; D413-K468 WeakPolarHBondContact OD2-CE 3.34Å; D413-K468 IonicContact OD2-NZ 3.65Å
469G87.8Confident95.6Very high60 Ų6045 Ų4562%0.61923%0.225SC*.THydrogen-bonded Turntrans89-16.5-17800000115.5S466 H467S466-G469 VanDerWaalsContact OG-C 3.29Å; S466-G469 WeakPolarHBondContact OG-CA 3.49Å; S466-G469 PolarHBondContact OG-O 3.45Å; H467-G469 PolarHBondContact O-N 3.03Å; H467-G469 VanDerWaalsContact O-N 3.12Å
470Q92.9Very high95.6Very high147 Ų14743.6 Ų43.669%0.68722%0.22SC*.EExtended strand (participates in β ladder)trans-84.2121.7177.8-66.3-174.5-12.700111S466 H467S466-Q470 CarbonylContact C-O 3.55Å; S466-Q470 VanDerWaalsContact CA-O 3.3Å; S466-Q470 WeakPolarHBondContact CA-O 3.36Å; H467-Q470 PolarHBondContact N-O 3.46Å; H467-Q470 PolarHBondContact O-N 3.08Å
471Q95.1Very high95.6Very high89 Ų8944 Ų4442%0.41622%0.221SC..EExtended strand (participates in β ladder)trans-77.2138.5179.8-66176.362.500111.8L465L465-Q471 CarbonylContact O-C 3.58Å; L465-Q471 WeakPolarHBondContact O-CA 3.23Å
472F96Very high95.6Very high16 Ų1644.1 Ų44.17%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-146.6169.7178.972.5-80.9000112.1L375 A377 W410 T414 L465 H467L375-F472 HydrophobicContact CB-CB 4.3Å; L375-F472 HydrophobicContact CB-CD1 4.26Å; L375-F472 HydrophobicContact CB-CD2 4Å; L375-F472 HydrophobicContact CB-CE2 4.38Å; L375-F472 HydrophobicContact CB-CG 3.94Å; L375-F472 HydrophobicContact CD2-CE1 4.47Å; L375-F472 HydrophobicContact CD2-CZ 4.36Å; A377-F472 HydrophobicContact CB-CD2 4.35Å; A377-F472 HydrophobicContact CB-CE2 4.11Å; W410-F472 HydrophobicContact CD2-CZ 4.5Å; W410-F472 AromaticContact CE2-CE2 3.86Å; W410-F472 AromaticContact CE2-CZ 3.96Å; W410-F472 AromaticContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CZ 4.38Å; W410-F472 AromaticContact NE1-CE2 3.61Å; W410-F472 AromaticContact NE1-CZ 3.74Å; T414-F472 HydrophobicContact CG2-CE1 4.11Å; T414-F472 HydrophobicContact CG2-CZ 3.91Å; L465-F472 HydrophobicContact CB-CD1 4.14Å; L465-F472 HydrophobicContact CB-CD2 4.49Å; L465-F472 HydrophobicContact CB-CE1 3.72Å; L465-F472 HydrophobicContact CB-CE2 4.13Å; L465-F472 HydrophobicContact CB-CZ 3.73Å; L465-F472 HydrophobicContact CD1-CE2 3.98Å; L465-F472 HydrophobicContact CD1-CZ 4.01Å; L465-F472 HydrophobicContact CG-CZ 4.44Å; L465-F472 PolarHBondContact O-N 3.48Å; H467-F472 HydrophobicContact CB-CD1 4.23Å; H467-F472 HydrophobicContact CB-CE1 3.77Å
473G95.9Very high95.6Very high18 Ų1845 Ų4519%0.18623%0.227CC..EExtended strand (participates in β ladder)trans69.8-173.518000000114.6R464R464-G473 PolarHBondContact NE-O 3.25Å; R464-G473 PolarHBondContact NH2-O 3.36Å
474P96.6Very high95.3Very high42 Ų4248.5 Ų48.527%0.27325%0.25SC..EExtended strand (participates in β ladder)trans-71161.1176.131.3-36.9000111.9A377 F379 M402A377-P474 WeakPolarHBondContact O-CD 3.25Å; F379-P474 HydrophobicContact CB-CG 4.34Å; M402-P474 HydrophobicContact CE-CG 3.98Å
475R96.8Very high94.8Very high102 Ų10251 Ų5139%0.38526%0.263SS..EExtended strand (participates in β ladder)trans-77.8134.7160.4-177.9178.768.5-143.43.2107.9M419 H462 W463 W477M419-R475 HydrophobicContact SD-CB 4.48Å; M419-R475 HydrophobicContact SD-CG 3.86Å; H462-R475 HydrophobicContact CB-CG 4.38Å; W463-R475 WeakPolarHBondContact O-CA 3.35Å; R475-W477 HydrophobicContact CG-CE3 4.29Å; R475-W477 WeakPolarHBondContact O-CZ3 3.32Å
476V97.3Very high93.9Very high4 Ų456 Ų562%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-120.6156.8172.8-60.50000108.9F379 W400 M402 L416 W463F379-V476 HydrophobicContact CD2-CG1 4.12Å; W400-V476 HydrophobicContact CB-CG2 4.49Å; W400-V476 HydrophobicContact CD2-CB 4.07Å; W400-V476 HydrophobicContact CD2-CG2 3.67Å; W400-V476 HydrophobicContact CE3-CG2 4.03Å; W400-V476 HydrophobicContact CG-CB 3.88Å; W400-V476 HydrophobicContact CG-CG1 4.4Å; W400-V476 HydrophobicContact CG-CG2 3.9Å; W400-V476 HydrophobicContact CZ2-CG2 4.38Å; M402-V476 HydrophobicContact CE-CG1 3.94Å; M402-V476 HydrophobicContact SD-CG1 4.44Å; L416-V476 HydrophobicContact CD1-CG2 4.23Å; W463-V476 HydrophobicContact CB-CG2 4.08Å; W463-V476 PolarHBondContact N-O 3.38Å; W463-V476 PolarHBondContact O-N 2.85Å
477W97.2Very high92.2Very high87 Ų8760.2 Ų60.233%0.3333%0.325SS..EExtended strand (participates in β ladder)trans-156.2169-175.561.784.6000114D386 K398 W400 S461 H462 R475D386-W477 PolarHBondContact OD1-NE1 3.49Å; D386-W477 PolarHBondContact OD2-NE1 2.81Å; K398-W477 WeakPolarHBondContact CE-O 3.38Å; K398-W477 PolarHBondContact NZ-O 2.89Å; W400-W477 PolarHBondContact NE1-O 3.4Å; S461-W477 CarbonylContact O-C 3.55Å; S461-W477 WeakPolarHBondContact O-CA 3.28Å; S461-W477 WeakPolarHBondContact O-CB 3.42Å; H462-W477 HydrophobicContact CB-CB 4.29Å; H462-W477 AromaticContact CE1-CG 3.73Å; H462-W477 WeakPolarHBondContact ND1-CB 3.4Å; H462-W477 AromaticContact ND1-CD2 3.93Å; H462-W477 AromaticContact ND1-CG 3.57Å; R475-W477 HydrophobicContact CG-CE3 4.29Å; R475-W477 WeakPolarHBondContact O-CZ3 3.32Å
478C97.3Very high90.2Very high1 Ų165.3 Ų65.31%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-121134.1168.8-1770000108K398 W400 L423 F450 T460 S461K398-C478 HydrophobicContact CB-CB 4.33Å; K398-C478 HydrophobicContact CD-CB 3.99Å; K398-C478 HydrophobicContact CG-CB 3.94Å; W400-C478 HydrophobicContact CZ2-CB 4.37Å; L423-C478 HydrophobicContact CD2-CB 4.15Å; F450-C478 HydrophobicContact CE2-CB 4.05Å; T460-C478 CarbonylContact C-O 3.53Å; T460-C478 WeakPolarHBondContact CA-O 3.38Å; S461-C478 PolarHBondContact N-O 2.92Å; S461-C478 PolarHBondContact O-N 3.17Å
479S97.4Very high88Confident20 Ų2066.1 Ų66.114%0.1437%0.369CS..EExtended strand (participates in β ladder)trans-126.1124.6168-173.40000109.2D386 G387 Y459D386-S479 WeakPolarHBondContact CA-O 3.26Å; D386-S479 WeakPolarHBondContact OD1-CB 3.25Å; D386-S479 PolarHBondContact OD1-N 2.69Å; D386-S479 VanDerWaalsContact OD1-N 3.11Å; G387-S479 PolarHBondContact N-O 3.41Å; Y459-S479 WeakPolarHBondContact O-CA 3.37Å
480I97.8Very high85.9Confident1 Ų167.6 Ų67.61%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-124.8161.9175.566.6163.6000110.5T388 L390 F396 L423 A452 T458 Y459 V482T388-I480 VanDerWaalsContact O-CA 3.32Å; T388-I480 WeakPolarHBondContact O-CA 3.49Å; T388-I480 WeakPolarHBondContact O-CB 2.96Å; L390-I480 HydrophobicContact CD1-CB 4.3Å; L390-I480 HydrophobicContact CD1-CD1 3.98Å; L390-I480 HydrophobicContact CD1-CG2 3.91Å; F396-I480 HydrophobicContact CE1-CD1 3.93Å; F396-I480 HydrophobicContact CE2-CG2 4.22Å; F396-I480 HydrophobicContact CZ-CD1 3.96Å; F396-I480 HydrophobicContact CZ-CG2 3.79Å; L423-I480 HydrophobicContact CD1-CD1 3.67Å; L423-I480 HydrophobicContact CD1-CG1 4.13Å; A452-I480 HydrophobicContact CB-CD1 3.97Å; T458-I480 WeakPolarHBondContact CA-O 3.45Å; Y459-I480 PolarHBondContact N-O 2.71Å; Y459-I480 PolarHBondContact O-N 2.95Å; I480-V482 HydrophobicContact CD1-CG2 3.95Å
481I97.3Very high83.5Confident46 Ų4667.9 Ų67.924%0.23638%0.375CS..EExtended strand (participates in β ladder)trans-113.6129.9164.5-64169.1000106.9T388 H389 L390 T458T388-I481 PolarHBondContact O-N 3.34Å; H389-I481 CarbonylContact C-O 3.45Å; H389-I481 WeakPolarHBondContact CA-O 3.47Å; L390-I481 PolarHBondContact N-O 2.95Å; T458-I481 HydrophobicContact CG2-CG1 4.44Å
482V97.4Very high80.7Confident2 Ų271.2 Ų71.21%0.01240%0.396CS..EExtended strand (participates in β ladder)trans-93.9121.1169.41780000108L390 P392 A452 L455 E456 G457 Y459 I480L390-V482 WeakPolarHBondContact O-CA 3.16Å; P392-V482 HydrophobicContact CB-CG1 3.92Å; P392-V482 HydrophobicContact CG-CG1 3.71Å; A452-V482 HydrophobicContact CB-CG2 4.01Å; L455-V482 WeakPolarHBondContact O-CG1 3.18Å; E456-V482 CarbonylContact C-O 3.57Å; E456-V482 VanDerWaalsContact CA-O 3.28Å; E456-V482 WeakPolarHBondContact CA-O 3.41Å; G457-V482 PolarHBondContact N-O 3.29Å; G457-V482 PolarHBondContact O-N 3.45Å; Y459-V482 HydrophobicContact CD2-CB 4.24Å; Y459-V482 HydrophobicContact CD2-CG2 3.69Å; Y459-V482 HydrophobicContact CE2-CB 4.14Å; Y459-V482 HydrophobicContact CE2-CG2 3.94Å; I480-V482 HydrophobicContact CD1-CG2 3.95Å
483D95.1Very high77.9Confident44 Ų4477.5 Ų77.524%0.23543%0.43CS..PPolyproline II helixtrans-79.7153.8175.8-66.1-46.3000111.4H389 L390 P392H389-D483 IonicContact CE1-OD1 3.07Å; H389-D483 PolarHBondContact CE1-OD1 3.32Å; H389-D483 IonicContact CG-OD1 2.62Å; H389-D483 IonicContact CG-OD2 2.73Å; H389-D483 IonicContact ND1-OD1 3.14Å; H389-D483 PolarHBondContact ND1-OD1 2.85Å; H389-D483 IonicContact ND1-OD2 3.91Å; H389-D483 PolarHBondContact ND1-OD2 3.31Å; L390-D483 PolarHBondContact O-N 3.18Å; L390-D483 VanDerWaalsContact O-N 3.13Å; P392-D483 WeakPolarHBondContact CD-O 3.18Å; P392-D483 VanDerWaalsContact CG-O 3.22Å; P392-D483 WeakPolarHBondContact CG-O 3.42Å
484P90.6Very high75.6Confident76 Ų7684.3 Ų84.349%0.49446%0.461SS..PPolyproline II helixtrans-57.2149.5163.723.2-32.1000111.4E456E456-P484 WeakPolarHBondContact OE2-CB 3.28Å
485F84.7Confident72.8Confident136 Ų13691.3 Ų91.360%0.59649%0.49SS*.PPolyproline II helixtrans-59.6134.2165.4-72.4-73.2000109.6P392 S487P392-F485 HydrophobicContact CB-CD2 4.47Å; P392-F485 HydrophobicContact CB-CE1 4.15Å; P392-F485 HydrophobicContact CB-CE2 3.75Å; P392-F485 HydrophobicContact CB-CZ 3.58Å; P392-F485 HydrophobicContact CG-CD1 4.21Å; P392-F485 HydrophobicContact CG-CD2 3.95Å; P392-F485 HydrophobicContact CG-CE1 4.01Å; P392-F485 HydrophobicContact CG-CE2 3.73Å; P392-F485 HydrophobicContact CG-CG 4.19Å; P392-F485 HydrophobicContact CG-CZ 3.77Å; F485-S487 PolarHBondContact O-N 3.43Å; F485-S487 VanDerWaalsContact O-N 3.1Å
486P78.8Confident70Confident105 Ų10598.4 Ų98.468%0.68252%0.517SS*.  trans-62.9115.3176.125-33000110.2S488P486-S488 PolarHBondContact O-N 2.99Å; P486-S488 VanDerWaalsContact O-N 3.17Å
487S59Low66.9Low99 Ų99101.7 Ų101.769%0.69255%0.551SS**  trans-69.7108.9-179.951.40000110.8F485 E489F485-S487 PolarHBondContact O-N 3.43Å; F485-S487 VanDerWaalsContact O-N 3.1Å; S487-E489 PolarHBondContact O-N 2.86Å
488S51.8Low63.8Low127 Ų127105.4 Ų105.489%0.88858%0.577SS**  trans-72.768176.5176.90000111.9P486 S490P486-S488 PolarHBondContact O-N 2.99Å; P486-S488 VanDerWaalsContact O-N 3.17Å; S488-S490 PolarHBondContact O-N 3.17Å
489E45.5Very low60.7Low167 Ų167111.8 Ų111.878%0.7862%0.616SS**  trans-79.8110.2177.7-65-152.1138.400112.5S487S487-E489 PolarHBondContact O-N 2.86Å
490S43.3Very low57.5Low90 Ų90115.8 Ų115.863%0.62964%0.644SS**  trans63.2105.516368.30000118.7S488S488-S490 PolarHBondContact O-N 3.17Å
491L41.8Very low54.2Low153 Ų153120.9 Ų120.980%0.80168%0.679SS**SBendtrans-112.55.6151.1-125.9171.7000112.3
492D37.3Very low51Low159 Ų159123.3 Ų123.385%0.8570%0.7SS**THydrogen-bonded Turntrans-97.323.3-170.2-67.5-59.8000115.1
493N37.6Very low48Very low148 Ų148132.5 Ų132.579%0.79174%0.74SS**THydrogen-bonded Turntrans-113.64.9179.9-96.8-37.1000115.3
494I46.5Very low44.9Very low162 Ų162134.1 Ų134.183%0.83176%0.76SS**  trans-114.654.3177.7-42.4-176.3000111.3
495Q38.6Very low42.3Very low188 Ų188137.3 Ų137.388%0.87977%0.773SS**  trans-140.348.6169.9-151-177.420.600114.4
496R38.8Very low39.6Very low251 Ų251136.7 Ų136.795%0.94778%0.775SS**SBendtrans-150.959.7165.5-153.1175.6-59.5-123.1-0.6113.9
497G30.8Very low37.3Very low73 Ų73140 Ų14075%0.75378%0.779SS**SBendtrans-152.6112.1178.400000114.2
498L33.2Very low35.9Very low165 Ų165141.1 Ų141.186%0.86478%0.782SS**  trans53.5103155.9-165.462.9000119.7
499V31.8Very low34.7Very low136 Ų136139.5 Ų139.582%0.82477%0.77SS**  trans-100.3122.2148.5173.20000108
500S29.3Very low34Very low104 Ų104138.6 Ų138.673%0.72777%0.766SS**  trans174.9124.3142.7-83.10000116
501S28.3Very low33.3Very low108 Ų108140.6 Ų140.676%0.75577%0.765SS**  trans74.1106.6135.1-1420000124.2
502S31.1Very low32.7Very low96 Ų96140.6 Ų140.667%0.67176%0.761SS**  76.7105.8118.269.70000124.9
503K33.7Very low32.3Very low196 Ų196141.4 Ų141.485%0.85276%0.759SS**  75.3144.4115.2-80.6-159166.6-151.40124.6
504A31.2Very low31.8Very low78 Ų78138 Ų13865%0.64575%0.752SS**  trans83.3141.1143.500000119.9
505D34.8Very low30.7Very low143 Ų143139 Ų13977%0.76575%0.751SS**  cis-166.7-178.8-14.9-102.8-29.5000112
506D29.3Very low30.1Very low122 Ų122136.3 Ų136.365%0.65274%0.741SS**  trans97.2107.7150-78.39.9000125.4
507F30.5Very low29.4Very low175 Ų175130.8 Ų130.877%0.76873%0.73SS**  64.1157.8122.8-68.8-42.4000123.8
508T29.3Very low29.2Very low123 Ų123131.6 Ų131.676%0.75573%0.73SS**  cis-161.51756.32.20000108.8
509C26.1Very low28.7Very low93 Ų93131.5 Ų131.563%0.62873%0.725SS**  cis-164.8-167.4-12.4-1520000109.1
510E30.3Very low28.3Very low148 Ų148133 Ų13369%0.69272%0.723SS**  trans68.4152.1163.4-49.9-50.497.800119.6
511Q30.1Very low28Very low132 Ų132135.3 Ų135.362%0.61772%0.722SS**  cis-177.9170.1-33.9-140.876.5-2200107.1
512E28.7Very low28Very low152 Ų152135.5 Ų135.571%0.7172%0.718SS**  cis-156.6163.7-7-150.3146.3-123.500110.9
513E29.3Very low27.6Very low176 Ų176136.7 Ų136.782%0.82272%0.724SS**  trans59.7171.9164-57.7-132.8120.700122.1
514A26.6Very low26.9Very low76 Ų76134 Ų13463%0.62872%0.718SS**  -171.8-172.4-84.700000111.4
515F22.8Very low26.4Very low185 Ų185135 Ų13581%0.81172%0.721SS**  trans67126.6166.1-84.8-116.1000116.4
516L26.1Very low25.8Very low130 Ų130135.9 Ų135.968%0.68172%0.72SS**  cis-159158.317.9-88.9161.8000113.6
517L24.6Very low25.7Very low135 Ų135133.2 Ų133.271%0.70771%0.708SS**  trans36.8108.8141.6-59.4170.4000121.3
518A26.9Very low25.7Very low91 Ų91130.8 Ų130.875%0.75271%0.708SS**  171.4129.8100.200000107.6
519E22.6Very low25.7Very low163 Ų163132.9 Ų132.976%0.76271%0.707SS**  59.5122.453.7-59.6178.1155.100111.2
520E23.5Very low25.9Very low167 Ų167134.6 Ų134.678%0.7871%0.705SS**  cis-147.9167.612.7-130.1175.1161.100112.6
521E22.6Very low25.8Very low153 Ų153132.5 Ų132.572%0.71570%0.703SS**  trans-3.6136.3151.6-68.8-169.1-175.800119.1
522V27.4Very low25.6Very low111 Ų111135.2 Ų135.267%0.67372%0.716SS**  50.8103.980.5179.50000110.9L524V522-L524 HydrophobicContact CG1-CB 3.97Å
523P23.1Very low25.6Very low122 Ų122131 Ų13179%0.79271%0.713SS**  -114.4147.389.6-7.827.1000111.9
524L19.4Very low25.4Very low138 Ų138130.2 Ų130.272%0.72372%0.72SS**  cis65.685.838.3-167.163.6000114.4V522V522-L524 HydrophobicContact CG1-CB 3.97Å
525S21.1Very low25.3Very low101 Ų101129.3 Ų129.371%0.70672%0.718SS**  trans78.4166.3143.778.10000120.6
526E22.2Very low25.5Very low161 Ų161127.4 Ų127.475%0.75272%0.722SS**  trans77.2106.6163-66-118.996.800119.9
527V27.6Very low25.4Very low65 Ų65125.6 Ų125.639%0.39472%0.72SS.*  63.9111.8121.4177.20000116Q530V527-Q530 HydrophobicContact CG1-CG 4.02Å; V527-Q530 HydrophobicContact CG2-CG 4.04Å
528T28.9Very low25.5Very low125 Ų125125.4 Ų125.477%0.76773%0.725SS**SBend-151.3121.283.520.40000110.7
529K29.9Very low26.3Very low167 Ų167125.9 Ų125.973%0.72672%0.72SS**SBendcis-141.6131.37-84.2-171.4179.41790109.9
530Q30.7Very low26.7Very low128 Ų128126.3 Ų126.360%0.59872%0.722SS**  69.712785.6-95.8167.4-2.800112.1V527V527-Q530 HydrophobicContact CG1-CG 4.02Å; V527-Q530 HydrophobicContact CG2-CG 4.04Å
531T27.6Very low27Very low104 Ų104126.3 Ų126.364%0.63872%0.72SS**  cis-155.6154.124.5-64.10000113.4
532E27Very low27.2Very low190 Ų190123.2 Ų123.289%0.88871%0.711SS**  trans65.1142.1163.5-80.5153.1-152.400120.4
533G26.9Very low27.7Very low64 Ų64127 Ų12766%0.6672%0.721SS**  cis163.6144.5-13.800000116.3
534T26.1Very low27.8Very low158 Ų158126.4 Ų126.497%0.96972%0.721SS**  trans78.6137.6168.3-34.40000117.8
535G25.1Very low28.5Very low57 Ų57126.5 Ų126.559%0.58873%0.726SS**  cis162.2143.5-13.400000115
536T26.4Very low28.9Very low146 Ų146126.2 Ų126.290%0.89673%0.73SS**  trans63.2153.3166.944.70000119.9
537S23.3Very low29.2Very low91 Ų91123.6 Ų123.664%0.63673%0.73SS**  cis-176.1138.1-16.251.20000115.4
538T27.8Very low29.4Very low131 Ų131127.6 Ų127.680%0.80474%0.744SS**  trans61.9164.1146.953.80000122.8
539P44Very low29.4Very low101 Ų101130.7 Ų130.766%0.65674%0.742SS**  cis-148.1-177.7-43.944.5-26.7000118
540Q29.5Very low29.4Very low173 Ų173129.4 Ų129.481%0.80874%0.739SS**  trans75.9147.3159.1-60.9-168.517.500120
541K30.9Very low29.2Very low166 Ų166130.7 Ų130.772%0.72275%0.748SS**  cis-172.9177.9-6.7-109.5-161.6134.1-148.30109.6
542T27.5Very low29Very low88 Ų88135.7 Ų135.754%0.5476%0.757SS.*  cis-170.2130.9-48.434.60000112.8
543Q36.2Very low29.1Very low190 Ų190132 Ų13289%0.88874%0.742SS**  trans64.2156.1154.8-71.7167.1-31.300120.3
544S25.4Very low29.3Very low111 Ų111134.4 Ų134.478%0.77675%0.747SS**  cis-149.3-179.225.1-160.40000115.2
545V35.5Very low29.5Very low139 Ų139131.8 Ų131.884%0.84273%0.734SS**  trans-147.7165.7-169.7176.90000113.3
546A28.5Very low29.8Very low95 Ų95134.8 Ų134.879%0.78574%0.741SS**  trans91.5154.6164.600000119.3
547S27.5Very low30.2Very low107 Ų107134.3 Ų134.375%0.74873%0.733SS**  cis-172.6144.5-25.8-171.90000114.2
548E33.3Very low30.9Very low148 Ų148136.5 Ų136.569%0.69274%0.737SS**  trans46.3149151.6-106.9-179-135.200128
549R28.9Very low31.1Very low191 Ų191137.3 Ų137.372%0.72174%0.736SS**  trans78.6150.4154.7-67.4166-171.4-104.4-0.2120.3
550E29Very low31Very low140 Ų140137.3 Ų137.365%0.65473%0.734SS**  cis-159.2-179.2-3-124.3164-127.500113
551L26.6Very low31.3Very low154 Ų154133 Ų13381%0.80673%0.728SS**  trans91.191.2164.5-52.4-178.3000123.2
552Y23.1Very low31.6Very low209 Ų209132.4 Ų132.482%0.8273%0.728SS**  28.7141.5104.8-176.1-87.1000120.8
553I29.8Very low32.3Very low113 Ų113133 Ų13358%0.57973%0.728SS**  cis-173.2158-17.2-154.4178.4000108.6
554P30.9Very low32.7Very low115 Ų115131.5 Ų131.575%0.74773%0.725SS**  -157.8132.198.638.5-16.6000119.9
555S30.4Very low33.2Very low102 Ų102133.5 Ų133.571%0.71373%0.726SS**  60.8144.2127.4-45.80000126.6
556V31.4Very low33.4Very low120 Ų120130.4 Ų130.473%0.72771%0.71SS**  trans95.487.6155.2-164.80000119.5
557D34.3Very low33.8Very low136 Ų136135.2 Ų135.273%0.72771%0.714SS**  55.7150.7118.8-52.2-7.7000122.9
558L37.5Very low34.5Very low137 Ų137139.3 Ų139.372%0.71772%0.721SS**  cis-166.2146.7-18.3-110.9170.8000108.8
559L33.2Very low34.8Very low149 Ų149140.1 Ų140.178%0.7873%0.73SS**  trans169.6123.8140.9-97.9160.5000109.9
560T41.5Very low35.2Very low100 Ų100138.5 Ų138.561%0.61373%0.734SS**  trans-128.3157.2-178.246.70000111.3Q562 D563T560-Q562 PolarHBondContact O-N 2.8Å; T560-D563 PolarHBondContact O-N 3.49Å
561A35.5Very low35.7Very low84 Ų84139.6 Ų139.669%0.69475%0.745SS**THydrogen-bonded Turntrans-66.914.8-171.600000116.6
562Q36.7Very low36.5Very low153 Ų153138.3 Ų138.372%0.71574%0.738SS**THydrogen-bonded Turntrans-73-31.3170.6-158.974.920.100111.5T560 L564T560-Q562 PolarHBondContact O-N 2.8Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.99Å
563D43.4Very low37.5Very low101 Ų101133.7 Ų133.754%0.5473%0.727SS.*THydrogen-bonded Turntrans-80.8-1.1-173.4-66.7-43.4000115T560 S566T560-D563 PolarHBondContact O-N 3.49Å; D563-S566 PolarHBondContact O-OG 2.93Å
564L44.3Very low38.2Very low157 Ų157134.9 Ų134.982%0.82273%0.733SS**THydrogen-bonded Turntrans-1048.7-179.9-66.8178000114.1Q562Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.99Å
565L36.3Very low38.4Very low154 Ų154136.7 Ų136.781%0.80674%0.741SS**SBendtrans-106.519.6179.2-68.3175.6000113.8
566S39Very low38.9Very low73 Ų73139.8 Ų139.851%0.5175%0.745SS.*SBendtrans-121.57.1-169.3510000115.8D563D563-S566 PolarHBondContact O-OG 2.93Å
567F36.5Very low39.4Very low196 Ų196141.7 Ų141.786%0.8675%0.746SS**SBendtrans-128.210.3-174.2-86-72.9000117.8
568E42.2Very low39.6Very low193 Ų193143.1 Ų143.190%0.90275%0.752SS**SBendtrans-111.67.9174.1-74.4-158.4135.800115.4
569L41.2Very low39.7Very low166 Ų166144.1 Ų144.187%0.86975%0.753SS**SBendtrans-129.632.6-178.4-73.6177.2000115.2
570L37.3Very low40.3Very low156 Ų156146.5 Ų146.582%0.81775%0.752SS**  trans-129.143.7168-77.4176.7000113I572L570-I572 PolarHBondContact O-N 2.91Å
571D39.6Very low39.9Very low164 Ų164148.6 Ų148.688%0.87776%0.764SS**  trans-9470167.5-167.219.3000110.8
572I42.8Very low40Very low127 Ų127149.6 Ų149.665%0.65176%0.764SS**SBendtrans-135.6112.9174.7-54.3-179.4000109.7L570 I574L570-I572 PolarHBondContact O-N 2.91Å; I572-I574 PolarHBondContact O-N 3.41Å
573N43.9Very low39.8Very low112 Ų112151.1 Ų151.160%0.59977%0.771SS**SBendtrans61.733.4158.9-68.5-0.1000121.3
574I43.8Very low39.3Very low137 Ų137153.6 Ų153.670%0.70378%0.784SS**THydrogen-bonded Turntrans-83.4-17.6169.7-67.6178.8000113.7I572 Q576I572-I574 PolarHBondContact O-N 3.41Å; I574-Q576 VanDerWaalsContact C-N 3.3Å; I574-Q576 PolarHBondContact O-N 2.89Å
575V36.4Very low39Very low153 Ų153152.1 Ų152.193%0.92778%0.782SS**THydrogen-bonded Turntrans-84.12.5179.3-163.50000113.3
576Q40.9Very low39.2Very low167 Ų167150.8 Ų150.878%0.7878%0.782SS**THydrogen-bonded Turntrans-126.60.7-177.3-160164.73.900114.6I574I574-Q576 VanDerWaalsContact C-N 3.3Å; I574-Q576 PolarHBondContact O-N 2.89Å
577E41.8Very low38.9Very low160 Ų160153.2 Ų153.275%0.74879%0.793SS**THydrogen-bonded Turntrans-111.6-8.2-178.9-119.4173.3-169.200115E579E577-E579 PolarHBondContact O-N 2.93Å
578L37Very low39Very low166 Ų166149.8 Ų149.887%0.86978%0.784SS**THydrogen-bonded Turntrans-748.6180-127.177.4000115.3
579E40.8Very low38.4Very low158 Ų158148 Ų14874%0.73878%0.778SS**THydrogen-bonded Turntrans-109.5-0.5-173.9-150.8-170.5-122.100113.6E577E577-E579 PolarHBondContact O-N 2.93Å
580R44.4Very low38.3Very low199 Ų199146 Ų14675%0.75177%0.773SS**  trans-146.8107.7-178.7-73.817817560.48.3114
581V34.2Very low38.8Very low144 Ų144144.1 Ų144.187%0.87377%0.77SS**  trans172.1143137.3145.70000108
582P37.5Very low38.4Very low105 Ų105142.2 Ų142.268%0.68277%0.768SS**  trans-94.7159.6-15535.9-37.4000116.5N584P582-N584 PolarHBondContact O-N 2.84Å
583H33Very low37.6Very low185 Ų185144.4 Ų144.486%0.85678%0.778SS**  trans-48129.3169.3-59.789.1000113.6
584N32.3Very low37Very low154 Ų154143.2 Ų143.282%0.82478%0.778SS**  trans-155.8121.9156-90.1-66.8000110.3P582P582-N584 PolarHBondContact O-N 2.84Å
585T37.7Very low37.2Very low126 Ų126142.6 Ų142.677%0.77378%0.783SS**  trans-105.2152.6175.3-16.30000110.4
586P40.3Very low37.1Very low126 Ų126143.2 Ų143.282%0.81878%0.78SS**  trans-131.1176.5132.836.6-26.5000112.7
587V34.2Very low37.7Very low123 Ų123140.2 Ų140.275%0.74578%0.775SS**  trans-130.2155.7-155.3177.40000112.6
588D37.2Very low37.1Very low125 Ų125140.5 Ų140.567%0.66878%0.776SS**  trans80.2128.1155.3-108.8-31.7000122.2
589M29.1Very low36.7Very low154 Ų154138.8 Ų138.876%0.75977%0.768SS**  175.5139.9104.3-95.9-70.7102.400113.5
590T40.6Very low35.9Very low126 Ų126135.8 Ų135.877%0.77376%0.764SS**  trans-147.5134.3173.6-49.70000112.6
591P46.9Very low35.9Very low116 Ų116132.1 Ų132.175%0.75377%0.766SS**  trans-135.5172.3143.938.4-24.5000111.7
592C30.4Very low35.7Very low124 Ų124132.6 Ų132.684%0.83876%0.763SS**  cis-156.6173.732.654.80000116.2
593M26.6Very low35.4Very low173 Ų173134.8 Ų134.885%0.85277%0.767SS**  trans-109.5172.3-172.1-61.4-79.5-74.700111.7
594S32.3Very low35Very low86 Ų86132.5 Ų132.560%0.60176%0.757SS**  cis-176.1178.7-25.4-78.40000107.6
595P47.8Very low34.9Very low125 Ų125133.2 Ų133.281%0.81275%0.753SS**  -151156.1115.736.9-19.8000118.2
596L34.1Very low34.6Very low166 Ų166133.4 Ų133.487%0.86976%0.756SS**  trans-140.3148170.5-64.3176000110.4
597P53.2Low34Very low104 Ų104130.7 Ų130.768%0.67575%0.751SS**  -133.9-164.6111.943.2-35.6000110.3
598H29.7Very low33.8Very low166 Ų166133.2 Ų133.277%0.76976%0.759SS**  cis-152.7157.49.1-101.7-58.1000105.9
599D28.6Very low33.2Very low129 Ų129130.9 Ų130.969%0.6977%0.765SS**  cis-158.5-150.6-11.5-151.294.9000108.4
600S24.8Very low33.1Very low95 Ų95131.9 Ų131.966%0.66477%0.768SS**  trans-151174.5177.9-56.90000112.7
601P44Very low32.5Very low122 Ų122132.7 Ų132.779%0.79277%0.766SS**  -152.4177.38039-18.9000115.6
602L29.8Very low31.7Very low154 Ų154136.3 Ų136.381%0.80677%0.773SS**  cis-169.1177.4-33.2-102.4170.2000107.8
603I29.9Very low31.7Very low151 Ų151137.9 Ų137.977%0.77477%0.768SS**  trans80.5125169.6-54.9173.7000115.3
604E24.7Very low31.8Very low137 Ų137137.3 Ų137.364%0.6476%0.763SS**  cis-155.5144.6-14-115.1-167.2129.700111.9
605K30.5Very low31.6Very low170 Ų170138.3 Ų138.374%0.73977%0.77SS**  trans52119.1152-67.2166.3175.9145.60121.5
606P31.2Very low30.7Very low129 Ų129141.6 Ų141.684%0.83878%0.775SS**  trans-108.1150.5131.91.119.3000111.8
607G28.9Very low30.4Very low69 Ų69137 Ų13771%0.71177%0.767SS**  trans-82.1137.7163.100000110.1
608L29.1Very low29.2Very low176 Ų176137.5 Ų137.592%0.92178%0.78SS**  51.782.975.7-84.2172.4000112.9
609G25.5Very low29.1Very low77 Ų77133.3 Ų133.379%0.79478%0.782SS**  trans-80.5140.6160.400000110.9
610Q26.9Very low29Very low174 Ų174136.3 Ų136.381%0.81379%0.79SS**  trans-159.1157.2171.2-151.9172.514.300108
611I28.2Very low29.2Very low144 Ų144141.2 Ų141.274%0.73880%0.799SS**  trans72.8120.6174.5-47151.9000114.7
612Q29.1Very low28.2Very low191 Ų191140 Ų14089%0.89380%0.799SS**  trans-148.372.3142.7-167.673.585.300108.5
613E30.2Very low28.1Very low157 Ų157139.4 Ų139.473%0.73480%0.796SS**  trans-110129.1164.9-170.2165.8-144.900107.5
614E29.6Very low28.6Very low162 Ų162137.5 Ų137.576%0.75779%0.794SS**  trans48.3122.8161.1-62.9-171.2160.600122.6
615S27.3Very low28.7Very low106 Ų106137.3 Ų137.374%0.74180%0.797SS**  94.8141.7126.376.50000123
616E29.3Very low28.5Very low194 Ų194134.1 Ų134.191%0.90780%0.796SS**  trans56120.6149.3-67.5-174.6179.800123.4
617G28.1Very low28.2Very low69 Ų69133.5 Ų133.571%0.71179%0.79SS**  113.36193.100000122.5
618A28.2Very low28Very low115 Ų115137.7 Ų137.795%0.9579%0.794SS**  trans61.4151.2148.100000121.8
619G26.7Very low27.7Very low79 Ų79133.2 Ų133.281%0.81478%0.778SS**  trans166.266.8169.600000121.6
620F27.5Very low27.6Very low192 Ų192135 Ų13584%0.84277%0.774SS**  trans-2138.1159.7-82.8-78.9000124.4
621K27.9Very low27.5Very low198 Ų198135 Ų13586%0.86177%0.771SS**  trans73.2157.4150.6-66.7-166.2179-171.60117.9
622A23.2Very low27.5Very low97 Ų97138.5 Ų138.580%0.80278%0.775SS**  cis-145.1178.816.500000115.4
623L27.7Very low27.2Very low140 Ų140139.2 Ų139.273%0.73378%0.775SS**  trans-77.2170.3171-129.278.4000111.7D625L623-D625 WeakPolarHBondContact CD2-OD1 3.44Å
624P41.3Very low27Very low112 Ų112135.5 Ų135.573%0.72777%0.771SS**  -151.5152.660.940-18.8000120.7
625D25.6Very low26.8Very low133 Ų133136.6 Ų136.671%0.71178%0.776SS**  trans37.3128.4133.3-49.8-31.7000124.9L623L623-D625 WeakPolarHBondContact CD2-OD1 3.44Å
626S26.8Very low26.7Very low102 Ų102135.8 Ų135.871%0.71378%0.776SS**  173.9125.3108.2-171.30000109.6
627T24.4Very low26.4Very low117 Ų117133.5 Ų133.572%0.71878%0.775SS**  57.1144.158.575.20000113.5
628I24.5Very low26.4Very low156 Ų156134.3 Ų134.380%0.878%0.776SS**  cis-161.5169.79.3-141.5-173.8000107.8
629S24.8Very low26.2Very low83 Ų83134.2 Ų134.258%0.5877%0.768SS**  cis-166.1172.26.6-156.50000112.8
630T22.6Very low26.4Very low114 Ų114135.8 Ų135.870%0.69976%0.762SS**  trans4.2157152.3690000122.2
631K25.5Very low26.4Very low173 Ų173134.6 Ų134.675%0.75276%0.759SS**  cis175165.946.7-142.6168.3-174.3164.30113.8
632R27.4Very low26.5Very low218 Ų218134.1 Ų134.182%0.82376%0.76SS**  trans76.197.7154.1-71.6-174.5173.9147.7-5.1122.7
633K23.5Very low26.8Very low207 Ų207135.6 Ų135.690%0.976%0.759SS**  -0.6126118.9175.3-177-179.8175.30118.7
634A25.1Very low26.9Very low79 Ų79138 Ų13865%0.65377%0.766SS**  -178.9139.5118.800000115.2
635E26.1Very low26.4Very low184 Ų184140.6 Ų140.686%0.8677%0.768SS**  trans56.895.4145.1-67168.8135.700123.5
636A23.8Very low26.6Very low90 Ų90142.4 Ų142.474%0.74478%0.778SS**  53.6122.7121.200000123
637T24.3Very low26.9Very low145 Ų145144.6 Ų144.689%0.8978%0.781SS**  -173.9161103.6200000112.9
638A26.8Very low27.3Very low87 Ų87145.3 Ų145.372%0.71979%0.791SS**  trans64.598.8161.800000121.5
639S25.6Very low27.7Very low112 Ų112141.3 Ų141.378%0.78379%0.788SS**  21.2146.3116.863.40000120.4
640V29.5Very low28.1Very low113 Ų113143.5 Ų143.569%0.68580%0.798SS**  cis-152.6167.243.2171.80000111
641E28.6Very low28.5Very low167 Ų167146.3 Ų146.378%0.7880%0.803SS**  trans66.3124.8170.9-82.8141.1-13800116.1
642E29.4Very low28.6Very low188 Ų188146.2 Ų146.288%0.87980%0.803SS**  cis85.577.539.7-63.2-158.4165.500114.8
643T28.9Very low28.7Very low128 Ų128141.8 Ų141.879%0.78580%0.8SS**  trans-128129.5151.253.50000110.3
644E31.5Very low29Very low191 Ų191137.2 Ų137.289%0.89379%0.793SS**  trans-4.6119.5154.5-58.6166.7-125.400118.2
645E29.1Very low29.1Very low165 Ų165142 Ų14277%0.77180%0.802SS**  trans-144.8138.8153.2-80.1-160.8157.100111.7L647E645-L647 HydrophobicContact CB-CG 4.4Å; E645-L647 PolarHBondContact O-N 3.34Å
646D31.4Very low29.4Very low172 Ų172138.9 Ų138.992%0.9280%0.795SS**  trans-70.9115165.3-95.8-48.3000110.6
647L32.8Very low29.8Very low147 Ų147140.4 Ų140.477%0.7780%0.796SS**  trans-137.886.4177.8-74.9178.6000114.5E645E645-L647 HydrophobicContact CB-CG 4.4Å; E645-L647 PolarHBondContact O-N 3.34Å
648S33.1Very low30.2Very low133 Ų133139.5 Ų139.593%0.9378%0.784SS**  trans-170.1131.1145-172.90000110
649G31.7Very low30.3Very low71 Ų71145.6 Ų145.673%0.73279%0.788SS**  cis163.4106.21.300000109.4
650T32.6Very low30.5Very low130 Ų130144.8 Ų144.880%0.79878%0.783SS**  trans-81.8137.6-178.551.70000111.8
651Q31.2Very low30.5Very low173 Ų173147 Ų14781%0.80879%0.79SS**  trans-178.781.9155.7-165.59656.300110.5
652F27.8Very low30.6Very low171 Ų171145.3 Ų145.375%0.7579%0.791SS**  74.8127.299.5-77.1-63.4000119.1
653V29.7Very low30.7Very low125 Ų125144 Ų14476%0.75879%0.789SS**  trans93151.9130.7161.70000122.1
654C29.2Very low30.8Very low111 Ų111145.9 Ų145.975%0.7579%0.794SS**  trans73.3110.9-177.1-66.30000115.3
655E27.7Very low30.8Very low178 Ų178140.9 Ų140.983%0.83279%0.786SS**  cis82142.832.4-156.3-172.1178.600114.8
656T33.3Very low31Very low119 Ų119137.8 Ų137.873%0.7379%0.788SS**  trans77.7106.1175.3-45.20000114.7
657V31.8Very low31.3Very low123 Ų123135.8 Ų135.875%0.74579%0.785SS**  cis99.1126.543.6170.20000113.7
658I32.7Very low31.3Very low126 Ų126134.7 Ų134.765%0.64678%0.78SS**  trans85.6107.6161.2-80.8165.2000121.3
659R28.9Very low31.3Very low215 Ų215136.1 Ų136.181%0.81177%0.771SS**  trans38.3136.7132.8-44.8167.9174.7151.9-5121.3
660S29.2Very low31.2Very low95 Ų95139.8 Ų139.866%0.66477%0.774SS**  162124.594-67.80000115.6
661L30.1Very low32.1Very low160 Ų160138.9 Ų138.984%0.83877%0.771SS**  trans61.9162.7147.1-54.6170.1000117.6
662T31.1Very low32.4Very low130 Ų130137 Ų13780%0.79877%0.773SS**  cis-146.7-177.18.4-24.10000111.2
663L32.1Very low32.3Very low161 Ų161134.4 Ų134.484%0.84378%0.775SS**  trans-86.8153.5-176.7-62.6162.6000114.7
664D30.6Very low32.2Very low167 Ų167139 Ų13989%0.89378%0.779SS**  trans-178.9161.9141.8-101.7-13.6000107.7
665A30.4Very low32.1Very low86 Ų86141.6 Ų141.671%0.71178%0.78SS**  cis-169152.1-31.500000106.7
666A33.8Very low32Very low100 Ų100144.5 Ų144.583%0.82678%0.783SS**  trans-114.9143.4-176.900000113.2
667P38.2Very low31.7Very low130 Ų130144 Ų14484%0.84479%0.785SS**  trans-106.1154.9158.636.2-28.1000112.6
668D33Very low32.1Very low124 Ų124143.5 Ų143.566%0.66378%0.784SS**  trans-100.5173.9-178.3175.438.8000111.9
669H32.9Very low31.7Very low164 Ų164145 Ų14576%0.75979%0.788SS**  trans134.6130144.3-61.7-26.8000116.1
670N29.6Very low31.5Very low147 Ų147144.1 Ų144.179%0.78679%0.785SS**  trans-104.9-172.7168.7-70.9-91000109.5
671P51.1Low31.3Very low112 Ų112146.1 Ų146.173%0.72778%0.784SS**  -121.8-164.7-65.438.6-23.8000110.4
672P37.1Very low30.9Very low132 Ų132144.9 Ų144.986%0.85778%0.777SS**  -144.3171.812037.4-23.5000115.5
673C26.5Very low30.6Very low118 Ų118146.2 Ų146.280%0.79778%0.775SS**  trans-129.9143-177.6165.90000111.5
674R27.9Very low30.2Very low220 Ų220146.2 Ų146.283%0.8377%0.774SS**  trans155.8159.8158.2-89.2163.7-173-157.93.9109.5
675Q27.3Very low29.8Very low167 Ų167146.5 Ų146.578%0.7877%0.77SS**  cis-146.8-1624.7-138.7158.31100112.9
676R24.6Very low30.1Very low239 Ų239147.8 Ų147.890%0.90277%0.772SS**  trans-96.3163.2-167.5-68.4176.9171.4164.7-5.8115.2
677S27.9Very low29.5Very low108 Ų108147.9 Ų147.976%0.75576%0.762SS**  trans-62.9174.8157.667.40000112.7
678P38.5Very low28.9Very low113 Ų113149.8 Ų149.873%0.73476%0.759SS**  -137.4-156.156.538.1-14.4000112.1
679Q25Very low28.7Very low156 Ų156153.1 Ų153.173%0.72977%0.771SS**  cis-166.8147.27.5-157.6175.3-117.500112.7
680R25.2Very low28.4Very low198 Ų198154.3 Ų154.375%0.74778%0.777SS**  trans62.2167157.9-86.9161.6165.2-134.27.2117.3
681E23.8Very low28.9Very low136 Ų136152.4 Ų152.464%0.63677%0.773SS**  cis-145.1132.75.8-128.3139.1-141.600107.2
682L23.3Very low28.4Very low135 Ų135152.1 Ų152.171%0.70777%0.771SS**  87.7105.879.5-160.987.4000116.4
683Q23.8Very low27.8Very low158 Ų158152 Ų15274%0.73877%0.767SS**  trans79.9148.8142.1-83.8177.4-21.300125.4
684L24.4Very low27.7Very low160 Ų160152.7 Ų152.784%0.83877%0.768SS**  trans92.7107.8147.3-75.9155000122.3
685Q21.9Very low27.6Very low173 Ų173149.8 Ų149.881%0.80877%0.768SS**  trans-70.5-177.1140.2-68.9-178.9-12.500110.5
686P36.3Very low28Very low114 Ų114147.7 Ų147.774%0.7477%0.769SS**  cis-120.4-155.51.823.24.6000111.3
687T22.6Very low28Very low101 Ų101139.3 Ų139.362%0.6276%0.756SS**  cis-164.917132.8-500000111.3
688E25.1Very low27.8Very low170 Ų170143.4 Ų143.479%0.79476%0.761SS**  trans-4.7150.8163.8-59163.5123.800119.5
689E27.3Very low27Very low194 Ų194142.9 Ų142.991%0.90776%0.759SS**  -154.6-162.858.1-81-168.9137.600114.4
690Q27.2Very low27.2Very low189 Ų189145.3 Ų145.388%0.88376%0.761SS**  trans-104.7-176.9-163-105.1-165.318.200114.4
691P40.6Very low27.3Very low107 Ų107143 Ų14370%0.69576%0.757SS**  trans-91.7-160.7-155.844.7-42.4000112.1
692P40.9Very low27.5Very low106 Ų106141.9 Ų141.969%0.68876%0.756SS**  cis-147.1-1717.537.1-12.1000118.3
693V23.5Very low27.8Very low130 Ų130139.9 Ų139.979%0.78875%0.753SS**  trans88.2135.9136.6125.70000121.4
694V25.2Very low27.9Very low133 Ų133137.4 Ų137.481%0.80675%0.753SS**  trans80.6119.3154.5160.10000121.3
695L24.9Very low28.2Very low158 Ų158136.4 Ų136.483%0.82775%0.747SS**  trans-66.6158.9157.9-72.3164.1000110.8
696P36.3Very low28.4Very low124 Ų124136 Ų13681%0.80574%0.743SS**  cis-153.3-177.338.143.1-22.6000117.7
697G24.4Very low27.9Very low62 Ų62139.4 Ų139.464%0.63975%0.747SS**  130.4120.9123.300000121.3
698F23.6Very low28.1Very low194 Ų194138.2 Ų138.285%0.85175%0.747SS**  trans69109.8135.9-76.7-94000123
699C22.6Very low28Very low103 Ų103136.8 Ų136.870%0.69674%0.744SS**  76.6157.3126.5-78.20000120
700R28.9Very low28.8Very low206 Ų206132.9 Ų132.978%0.77774%0.736SS**  cis-162.9144.610.4-134.9177.9-171.7-169.82.9114.3
701K26.3Very low28.8Very low149 Ų149130.9 Ų130.965%0.64873%0.726SS**  trans57.3166.3137.6-84176.9154.1-75.50120
702D29.5Very low28.2Very low114 Ų114135 Ų13561%0.6174%0.736SS**  cis-159.3165.7-2-117.4-20.3000107.7
703S28.8Very low27.2Very low93 Ų93133.2 Ų133.265%0.6574%0.737SS**  cis-120-126.8-4.4-64.60000109.2
704S25.9Very low27.9Very low106 Ų106132.5 Ų132.574%0.74174%0.735SS**  cis-151.1159.6-5.6-95.80000106.9
705L30.7Very low28.1Very low138 Ų138134.7 Ų134.772%0.72374%0.741SS**  cis91.2120.322.9-58.8176.9000114.5
706K25.8Very low28.3Very low165 Ų165130.6 Ų130.672%0.71774%0.737SS**  cis-167.4129.97.8-147.6-178.7175.3-167.90117.1
707F26.2Very low27.8Very low186 Ų186132.4 Ų132.482%0.81674%0.74SS**  trans59.7161.4136.3-77.3-131.5000123
708A26.1Very low27.9Very low76 Ų76137.2 Ų137.263%0.62875%0.746SS**  cis-176.9169.6-23.400000114
709L24.3Very low28.1Very low139 Ų139136.4 Ų136.473%0.72874%0.737SS**  trans0.2168.5154.6-88.178.8000122.8E711L709-E711 HydrophobicContact CD2-CG 3.98Å; L709-E711 VanDerWaalsContact CD2-OE1 3.24Å; L709-E711 WeakPolarHBondContact CD2-OE1 3.37Å
710P42.5Very low28.2Very low113 Ų113137.8 Ų137.873%0.73473%0.733SS**  cis-145.4-161.14041.2-18.4000117.1
711E28.7Very low28Very low147 Ų147135 Ų13569%0.68773%0.729SS**  cis-167162.9-48.6-85.5145.2-147.200111.7L709L709-E711 HydrophobicContact CD2-CG 3.98Å; L709-E711 VanDerWaalsContact CD2-OE1 3.24Å; L709-E711 WeakPolarHBondContact CD2-OE1 3.37Å
712E26.8Very low27.9Very low194 Ų194134.3 Ų134.391%0.90773%0.731SS**  trans76.3156.9163.1-65.7-61.1114.100125.1
713G20.5Very low27.6Very low67 Ų67133.8 Ų133.869%0.69173%0.732SS**  trans-121-135.5-17400000115.3
714P38.8Very low27.4Very low116 Ų116137.1 Ų137.175%0.75374%0.737SS**  cis-144176.4-1245.1-27.2000118.1
715L28.9Very low27.3Very low179 Ų179138.7 Ų138.794%0.93774%0.735SS**  trans60.2148.2158.5-67.5159.2000120.6
716G28.2Very low27.1Very low72 Ų72136.5 Ų136.574%0.74274%0.737SS**  cis167.5-176.8-5.700000113.6
717D26.5Very low27.1Very low161 Ų161136.5 Ų136.586%0.86174%0.74SS**  trans110.5145.8156.4-131.2-3.1000123.3
718E27.1Very low27.1Very low164 Ų164136.2 Ų136.277%0.76674%0.741SS**  trans44.7165.2165.8-55.7-148.3108.200124.6
719R26.6Very low27.1Very low176 Ų176139.5 Ų139.566%0.66475%0.748SS**  cis-176.7130.4-43.9-164.8-171.9178-98.9-11.2112.8
720E25.9Very low27.4Very low132 Ų132140.8 Ų140.862%0.61775%0.751SS**  trans60.6164.5155.7-93.6159.4-128.700121
721E24.9Very low26.9Very low147 Ų147142.6 Ų142.669%0.68775%0.753SS**  cis-165-179.9-5.4-151.1-165.1147.400111.4
722I24.1Very low26.9Very low136 Ų136142.9 Ų142.970%0.69776%0.755SS**  trans74.7146.4155.2-67.1166.2000119.1
723V22.7Very low26.9Very low102 Ų102140.5 Ų140.562%0.61875%0.748SS**  cis-176.1175.6-39.7132.80000109.6
724H24Very low27.4Very low163 Ų163144.7 Ų144.776%0.75575%0.749SS**  trans96.7126.4176.5-58.8-77000116.2
725I24.4Very low27.1Very low139 Ų139143.9 Ų143.971%0.71374%0.742SS**  cis103.4104.918.2-60.5163.7000114.7
726A27.1Very low27.2Very low93 Ų93143.7 Ų143.777%0.76974%0.736SS**  trans170.2131.5149.100000106.4
727E25.1Very low27.4Very low164 Ų164144.7 Ų144.777%0.76673%0.732SS**  cis82.3112.428.4-64-174.2153.500116
728E25.7Very low27.5Very low180 Ų180146.2 Ų146.284%0.84173%0.734SS**  trans64.5152.3152.3-54.4179.4157.600117.6
729D26.2Very low27.6Very low146 Ų146143.9 Ų143.978%0.78174%0.736SS**  cis-154.9-168.810.8-154.6-6000112.7
730E30.3Very low27.8Very low166 Ų166141.5 Ų141.578%0.77675%0.746SS**  trans-82.4-169.2-175.9-59.6-166.2106.500117.5
731L32.6Very low28.3Very low150 Ų150139.9 Ų139.979%0.78576%0.756SS**  trans90.6156.7160.3-50.5178.1000119.4
732Q29.6Very low28.6Very low154 Ų154138.1 Ų138.172%0.7276%0.76SS**  cis-177.5139-46.7166.6170.8-23.500109.6
733D25.4Very low29.3Very low143 Ų143136.3 Ų136.377%0.76576%0.759SS**  trans175.3142.8151.8-97.8-3000109.5
734E32Very low29.8Very low155 Ų155139.7 Ų139.772%0.72477%0.768SS**  cis79.2126.848-71-107.611400113.4
735V32.8Very low30.5Very low100 Ų100139.8 Ų139.861%0.60677%0.774SS**  cis-154160.8-15.7-150.70000110.1
736Q29.2Very low31.1Very low174 Ų174143.2 Ų143.281%0.81378%0.78SS**  trans58.4124.2144.6-101173.529.300120.4
737S32.8Very low31.5Very low94 Ų94146.3 Ų146.366%0.65778%0.782SS**  175.4169.766.8-81.80000115.1
738Q29.1Very low32Very low192 Ų192144.7 Ų144.790%0.89778%0.777SS**  trans85.5162.1158.8-50.6-149.7-5.900119.5
739S28.5Very low32.6Very low115 Ų115143.5 Ų143.580%0.80478%0.775SS**  trans-148.5147.8-155.7-47.10000114.3
740S31Very low33.2Very low126 Ų126143 Ų14388%0.88177%0.771SS**  trans-168.1162.3159.9-79.70000112
741A36.3Very low33.7Very low99 Ų99141 Ų14182%0.81877%0.772SS**  -171.848.6-5600000112.7
742S31.1Very low33.9Very low110 Ų110143 Ų14377%0.76978%0.778SS**  trans-147.5147.5-178.856.20000112.7
743S38.4Very low34.4Very low98 Ų98141.4 Ų141.469%0.68578%0.782SS**  cis167.987.9-33.446.10000105.9
744E33.8Very low34.8Very low173 Ų173144.6 Ų144.681%0.80879%0.79SS**  trans-113.1140.2-179.1-119.262.5-132.500111
745D38.8Very low34.8Very low165 Ų165143.3 Ų143.388%0.88279%0.788SS**  trans-81.8132-169.2-80.9-51.1000114.3
746Y36.6Very low35.1Very low211 Ų211145.5 Ų145.583%0.82780%0.802SS**  trans-95.2108.3170.9-76.1-79.4000111.8I748Y746-I748 PolarHBondContact O-N 2.79Å; Y746-I748 VanDerWaalsContact O-N 3.13Å
747I36.2Very low35.7Very low158 Ų158141 Ų14181%0.8179%0.79SS**  trans-76.498.1167-57.8179.2000109.3I749I747-I749 HydrophobicContact CG2-CG1 4.32Å
748I35.1Very low36Very low129 Ų129147.7 Ų147.766%0.66280%0.801SS**  trans-91.8110.1172.6-51.6179.1000109.4Y746 L750Y746-I748 PolarHBondContact O-N 2.79Å; Y746-I748 VanDerWaalsContact O-N 3.13Å; I748-L750 HydrophobicContact CG2-CD2 3.96Å; I748-L750 HydrophobicContact CG2-CG 3.98Å; I748-L750 PolarHBondContact O-N 3.5Å
749I39Very low36.7Very low155 Ų155144.8 Ų144.880%0.79580%0.798SS**  trans-83.9103169.9-56.9179.1000108.8I747I747-I749 HydrophobicContact CG2-CG1 4.32Å
750L38.4Very low37Very low136 Ų136148 Ų14871%0.71281%0.806SS**PPolyproline II helixtrans-92.6139.1170-66.8176.7000110.6I748I748-L750 HydrophobicContact CG2-CD2 3.96Å; I748-L750 HydrophobicContact CG2-CG 3.98Å; I748-L750 PolarHBondContact O-N 3.5Å
751P40.5Very low37Very low123 Ų123145.1 Ų145.180%0.79980%0.796SS**PPolyproline II helixtrans-65.2134.1170.1-21.333.7000112.5C753P751-C753 PolarHBondContact O-N 3.47Å
752E37.9Very low36.9Very low193 Ų193147.9 Ų147.990%0.90280%0.797SS**PPolyproline II helixtrans-70.4116.3-179-58.2176.8133.300112.1
753C40.1Very low37Very low120 Ų120147.2 Ų147.281%0.81179%0.792SS**  trans-16462.6169.8-103.60000113.7P751P751-C753 PolarHBondContact O-N 3.47Å
754F32.7Very low36.6Very low211 Ų211149.9 Ų149.993%0.92580%0.795SS**  trans-145.7127162.8-102.1-76.7000112.9
755D31.9Very low36.4Very low128 Ų128151.2 Ų151.268%0.68479%0.794SS**  trans-85.6131.6178.8-177.1-32.5000110.6S757D755-S757 PolarHBondContact O-N 3.45Å; D755-S757 VanDerWaalsContact OD1-CB 3.25Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 3.46Å; D755-S757 PolarHBondContact OD1-OG 3.13Å
756T38.9Very low36Very low146 Ų146147.8 Ų147.890%0.89678%0.783SS**  trans-100.557.1-173.245.10000113.2
757S41.7Very low35.8Very low80 Ų80142.9 Ų142.956%0.55978%0.78SS**  trans-124.843.9-173.558.70000117D755D755-S757 PolarHBondContact O-N 3.45Å; D755-S757 VanDerWaalsContact OD1-CB 3.25Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 3.46Å; D755-S757 PolarHBondContact OD1-OG 3.13Å
758R40.3Very low35.6Very low234 Ų234140 Ų14088%0.88378%0.779SS**  trans-153145.4153.8-93117.8-158.6-79.82.6112.6
759P43.3Very low35.4Very low131 Ų131141.3 Ų141.385%0.85179%0.787SS**  trans-83.8164.7177.635-35.8000113.5
760L35.6Very low34.9Very low183 Ų183139.5 Ų139.596%0.95879%0.788SS**  trans-71.4159.8178.6-67.1161.7000113.4
761G30.8Very low34.8Very low65 Ų65141.7 Ų141.767%0.6780%0.795SS**  trans-162105.8166.100000112.1
762D33.6Very low35.1Very low157 Ų157141.7 Ų141.784%0.8480%0.795SS**  trans56.6127157.4-57.3-31.8000119.7
763S32.5Very low34.6Very low96 Ų96135.8 Ų135.867%0.67179%0.786SS**  73.5131.961.8-153.10000111.5
764M30.6Very low34.4Very low153 Ų153137.4 Ų137.475%0.75479%0.786SS**  cis-162.7158.921.2-150.9-167.9-43.700113
765Y29.4Very low34.4Very low201 Ų201133.8 Ų133.879%0.78877%0.771SS**  trans65.3134.4143.2-112.9-123.9000124
766S32Very low34.5Very low93 Ų93137.5 Ų137.565%0.6578%0.776SS**  trans55.1161.8143.9-69.80000122.6
767S32.3Very low34Very low108 Ų108134 Ų13476%0.75577%0.769SS**  cis159.7103.6-32-87.60000108.3
768A32.1Very low33.4Very low97 Ų97134.5 Ų134.580%0.80278%0.778SS**  trans59.7160.3149.700000123.3
769L29.1Very low32.9Very low158 Ų158132.6 Ų132.683%0.82778%0.779SS**  trans94.1104.7159.3-53.5-176.8000121.1
770S30.1Very low32.2Very low116 Ų116132 Ų13281%0.81178%0.778SS**  75.3157125.1-56.90000123.5
771Q34.5Very low32.1Very low183 Ų183131.2 Ų131.286%0.85577%0.769SS**  trans-86-166.8-178-52.3177.8-23.800111.6
772P47.8Very low32.7Very low122 Ų122133.7 Ų133.779%0.79277%0.773SS**  cis-145.9-177.4244-24.2000118.7
773G28.1Very low32.3Very low70 Ų70129.1 Ų129.172%0.72276%0.764SS**  trans89.8164150.500000119.4
774L34.3Very low32.1Very low154 Ų154133 Ų13381%0.80678%0.775SS**  cis-167.1157.5-10.8-153.772.3000113.1
775E33.6Very low32Very low134 Ų134134.3 Ų134.363%0.62678%0.779SS**  trans68.9156.2163-41-158.9147.800120.7
776R34.3Very low32.1Very low207 Ų207129.9 Ų129.978%0.78179%0.785SS**  cis-157.3162.72.3-155.1168.5-94.8-108.7-3.3109.2
777G29.1Very low31.7Very low72 Ų72129.2 Ų129.274%0.74279%0.792SS**  cis138.1103-12.400000115
778A28.4Very low31.5Very low91 Ų91133.1 Ų133.175%0.75280%0.798SS**  trans-156.5121.6170.300000110.5
779E29.7Very low31.3Very low193 Ų193135.4 Ų135.490%0.90279%0.792SS**  68.8129.299.7-65.6179.8-173.700115.8
780S29.1Very low31.6Very low118 Ų118134 Ų13483%0.82579%0.793SS**  cis-162.1167.9-557.20000113.7
781E32.4Very low31.4Very low168 Ų168133.5 Ų133.579%0.78579%0.785SS**  trans-60175.4177.7-86.8-89.4130.100116.7
782P43.1Very low31.1Very low116 Ų116133.7 Ų133.775%0.75379%0.786SS**  cis-145.5159.619.941.5-21.2000121.9
783G25.1Very low30.3Very low62 Ų62132.3 Ų132.364%0.63979%0.785SS**  78.2148118.600000126.6
784I29Very low30.1Very low178 Ų178136.5 Ų136.591%0.91379%0.786SS**  trans101.8155.8154.2-59.7-179.8000118.9
785E29Very low29.6Very low179 Ų179136.2 Ų136.284%0.83678%0.78SS**  trans-112.8170.5-145.7-47.8168.3106.800116.6
786A30.2Very low29.2Very low109 Ų109138.4 Ų138.490%0.90178%0.783SS**  trans70.8153.1145.500000121.2
787G25.3Very low28.8Very low78 Ų78136.3 Ų136.380%0.80479%0.786SS**  trans145.8130.6171.400000113.9
788Q27Very low29.3Very low191 Ų191138.8 Ų138.889%0.89379%0.789SS**  trans-106.6172.6173.5-67.3162.9-101.600110.7
789E27.5Very low29.1Very low144 Ų144139.2 Ų139.267%0.67379%0.793SS**  trans23138.9145.8-81.4-74.2120.100119.7T791E789-T791 PolarHBondContact OE2-OG1 2.83Å
790P36.8Very low29Very low128 Ų128133.3 Ų133.383%0.83178%0.784SS**  -143.9160.4100.439.3-27.1000116.8
791T24.6Very low28.8Very low107 Ų107137.2 Ų137.266%0.65679%0.789SS**  trans-110.7153.8174.89.50000111.9E789E789-T791 PolarHBondContact OE2-OG1 2.83Å
792E29.9Very low28.6Very low187 Ų187134.4 Ų134.487%0.87479%0.788SS**  trans65.7127150.8-65-169.8159.500125
793A30.5Very low27.8Very low93 Ų93135.4 Ų135.477%0.76978%0.782SS**  88.6156.7125.800000124.9
794E23.9Very low28Very low157 Ų157138.9 Ų138.973%0.73479%0.794SS**  trans63.8152.4173.9-75.2-160.9121.600119.1R796E794-R796 IonicContact OE1-CZ 3.64Å; E794-R796 IonicContact OE1-NH1 2.81Å; E794-R796 PolarHBondContact OE1-NH1 3.4Å; E794-R796 IonicContact OE1-NH2 3.6Å
795E23.5Very low27.9Very low149 Ų149137.7 Ų137.770%0.69678%0.784SS**  cis-140.7-154.28.3-137.3-143.6127.300115
796R25.6Very low27.7Very low179 Ų179133 Ų13368%0.67578%0.776SS**  trans-96.9145.3-154.7-63.1165.5178.674.910.7117.4E794E794-R796 IonicContact OE1-CZ 3.64Å; E794-R796 IonicContact OE1-NH1 2.81Å; E794-R796 PolarHBondContact OE1-NH1 3.4Å; E794-R796 IonicContact OE1-NH2 3.6Å
797L25.6Very low27.6Very low164 Ų164136.8 Ų136.886%0.85978%0.775SS**  trans24.9140.9140.3-72.1177.2000121.6
798P39.3Very low27.7Very low123 Ų123138.6 Ų138.680%0.79978%0.776SS**  -153.4170.582.441.1-22.8000119.9
799A25.1Very low27.9Very low101 Ų101137.2 Ų137.284%0.83577%0.773SS**  trans86.2131.615300000122.2
800G27.8Very low27.8Very low69 Ų69136.1 Ų136.171%0.71178%0.781SS**  trans76.299.9164.300000116
801E24.6Very low27.4Very low200 Ų200136.9 Ų136.994%0.93578%0.778SS**  46.4125.769.9-58.4-171.114800113.7
802S26.6Very low27.6Very low108 Ų108138.2 Ų138.276%0.75578%0.779SS**  cis-166.5173.1-1093.40000107.3
803Q27.6Very low27.7Very low138 Ų138136.5 Ų136.565%0.64578%0.776SS**  cis-168.7120.4-13.9158.5-178.4-700107.3
804P28.9Very low27.5Very low135 Ų135139.1 Ų139.188%0.87778%0.782SS**  trans-100127.517134.1-27.4000111.8
805Q26.5Very low27.9Very low152 Ų152137.9 Ų137.971%0.7179%0.786SS**  trans-149.8167.5179.9-159.6170.13.300110.5
806A26Very low28.2Very low80 Ų80136.8 Ų136.866%0.66180%0.795SS**  trans70.7119.6-162.400000112.1
807Q28Very low28.5Very low189 Ų189136.5 Ų136.588%0.88380%0.801SS**  cis64121.845-54.8177.7-28.200113.6
808S26.1Very low28.7Very low117 Ų117134.1 Ų134.182%0.81879%0.793SS**  trans-156.9154.7139.4-163.90000109.9
809I30.8Very low28.2Very low162 Ų162135.5 Ų135.583%0.83179%0.793SS**  trans-125.5136.6177.8-57.4166.2000106.6
810S26.8Very low28.3Very low121 Ų121137.1 Ų137.185%0.84679%0.788SS**  trans-155.1125.2154.840.60000111.8
811D28.7Very low28.3Very low143 Ų143139.8 Ų139.877%0.76579%0.79SS**  trans-112.8170.2162.3-157.4-16.6000107.3
812I28.8Very low28.8Very low135 Ų135135.2 Ų135.269%0.69278%0.776SS**  trans72104165-56.7169.9000117.7
813L31.4Very low29.6Very low152 Ų152135.8 Ų135.880%0.79678%0.777SS**  trans41.4125.4133.5-50.2177000121.7
814T25Very low29.8Very low148 Ų148136.1 Ų136.191%0.90878%0.782SS**  -171.2159.7117.116.10000113.1
815T32.3Very low29.6Very low131 Ų131135 Ų13580%0.80477%0.773SS**  trans-104.5134.7173.150.40000111.7
816S31.6Very low30.4Very low126 Ų126133.1 Ų133.188%0.88177%0.774SS**  trans-167.3161.2149.5-102.90000116.4
817Q30.5Very low30.7Very low172 Ų172137.2 Ų137.280%0.80478%0.779SS**  trans-74.1178.5175.7-53167.88.600110.6
818T30.6Very low30.9Very low115 Ų115133.3 Ų133.371%0.70677%0.768SS**  cis-166.4-168.511.3-9.40000110.1
819L28.7Very low31.2Very low152 Ų152133.6 Ų133.680%0.79676%0.764SS**  trans84.8142159.9-60-175.5000118.1
820D26.1Very low31Very low135 Ų135129.5 Ų129.572%0.72276%0.762SS**  cis-167.1176.8-18.3-160.43.7000111.9
821T28.3Very low31.1Very low124 Ų124130.9 Ų130.976%0.76176%0.759SS**  trans102.1150.9155.3-31.60000118.9
822V35.4Very low31.4Very low105 Ų105129.6 Ų129.664%0.63676%0.759SS**  trans-150.9143.4-150.3158.80000108.8L824V822-L824 HydrophobicContact CG1-CG 4.05Å
823P42.6Very low31.9Very low120 Ų120129 Ų12978%0.77976%0.764SS**  -156.1119.594.837.3-14.2000120.4
824L32.7Very low32.2Very low144 Ų144128 Ų12875%0.75477%0.766SS**  57.3117.1118.6-61.2175000124.8V822V822-L824 HydrophobicContact CG1-CG 4.05Å
825V25.2Very low32.4Very low112 Ų112128.7 Ų128.768%0.67976%0.764SS**  69.7143.8120.9168.60000118.6
826P43.5Very low32Very low112 Ų112127.7 Ų127.773%0.72776%0.762SS**  cis-119.8-160.119.69.218.3000114.2
827E31.9Very low31.7Very low167 Ų167133.3 Ų133.378%0.7876%0.764SS**  cis178.3167-41-89.5-175.986.100105.6
828V31.4Very low31.6Very low107 Ų107130 Ų13065%0.64876%0.76SS**  cis-154131.8-11125.70000103.5
829V33.3Very low31.3Very low122 Ų122129.9 Ų129.974%0.73976%0.764SS**  90.9124.152.9172.80000114.6
830G26.1Very low32.1Very low76 Ų76127.9 Ų127.978%0.78476%0.76SS**  trans-160133.7167.900000110
831L28.1Very low32.1Very low150 Ų150127 Ų12779%0.78577%0.765SS**  trans-119155.5-161.3-73.8157.1000114.1
832P35.4Very low32.1Very low117 Ų117125.3 Ų125.376%0.7676%0.763SS**  trans-97.2131.3149.534.1-26.8000111.8
833P39.5Very low31.7Very low121 Ų121128.6 Ų128.679%0.78677%0.771SS**  trans-94172.3-177.736.5-35.7000115.1
834P37.5Very low31Very low131 Ų131131.6 Ų131.685%0.85178%0.775SS**  trans-110.5-166-162.843.5-36.9000116
835L29.8Very low30.6Very low164 Ų164128 Ų12886%0.85977%0.772SS**  trans-82.2150.3177.9-65.6164.1000114.2
836S24.5Very low30.9Very low110 Ų110128.6 Ų128.677%0.76978%0.781SS**  145.6161.2118.168.30000117.4
837R25.6Very low31.1Very low243 Ų243129.2 Ų129.292%0.91779%0.785SS**  trans72.6173.1166.8-62.3-167.7179.7-145-0.8118.6
838S27.3Very low31Very low103 Ų103124.6 Ų124.672%0.7278%0.782SS**  trans-161.4144.9-131.255.10000117.6
839S24.6Very low30.9Very low113 Ų113126.2 Ų126.279%0.7979%0.792SS**  trans64.9169.1156.185.90000118.8
840P46.2Very low30.5Very low109 Ų109127.1 Ų127.171%0.70879%0.793SS**  cis-133.2-174.2-7.141.4-24.1000116.4
841S25.5Very low30.5Very low118 Ų118128.3 Ų128.383%0.82579%0.789SS**  trans76.3151.3159.1-58.40000120.5
842A28.2Very low31.2Very low88 Ų88126.9 Ų126.973%0.72779%0.789SS**  cis-171165.3-24.100000112.8
843Q27Very low30.6Very low174 Ų174127 Ų12781%0.81379%0.787SS**  trans96.2134.4158.3-55.7-161.22100123.7
844H27.1Very low29.9Very low183 Ų183126.7 Ų126.785%0.84778%0.783SS**  trans3.4155.1155.3-53.1-84.1000123.4
845G25Very low29.3Very low67 Ų67125.8 Ų125.869%0.69178%0.775SS**  cis152.9131.9-9.600000117
846S30.6Very low29Very low125 Ų125125.1 Ų125.187%0.87477%0.768SS**  trans69.4173.5156.8-510000119.3
847P48.1Very low28.9Very low126 Ų126127.1 Ų127.182%0.81877%0.765SS**  cis-138.2164-2.341.6-24.2000119
848G29.2Very low28.9Very low69 Ų69122 Ų12271%0.71176%0.76SS**  trans74.1161.3150.100000119.7
849V30.2Very low29.6Very low141 Ų141122.1 Ų122.186%0.85576%0.759SS**  cis-170.8169.3-4.7-98.60000107.1
850D25.5Very low29.5Very low142 Ų142122.2 Ų122.276%0.75976%0.759SS**  cis-150.3-132.38.5-153-96.7000113.3
851S25.4Very low28.7Very low101 Ų101123.5 Ų123.571%0.70677%0.765SS**  trans-151.1-162174.7-75.70000109.3
852P42.8Very low29.3Very low119 Ų119123 Ų12377%0.77376%0.759SS**  cis-144.2-158.54.737-11000117
853V23.9Very low29.4Very low120 Ų120125.2 Ų125.273%0.72776%0.759SS**  trans114.187.5153.6-168.50000121.1
854T24.9Very low29.7Very low115 Ų115124.2 Ų124.271%0.70675%0.754SS**  55.5123.2116.8-220000126.2
855T24Very low29.8Very low111 Ų111122 Ų12268%0.68175%0.747SS**  trans78122.6140.539.70000128.1
856Q23Very low30Very low151 Ų151130.1 Ų130.171%0.70676%0.756SS**  60.9137.2127.5-87.2172-74.600126.7
857E22.5Very low29.8Very low151 Ų151127.9 Ų127.971%0.70675%0.753SS**  trans66.1103.6140.1-74.3164.8-156.100123.9
858V26.8Very low29Very low135 Ų135129 Ų12982%0.81875%0.748SS**  31139.399.7-178.90000117.6
859P42Very low29.8Very low107 Ų107130.2 Ų130.270%0.69574%0.743SS**  cis-135.7-168.28.529.2-4000116.5
860S21.1Very low30.1Very low114 Ų114132.4 Ų132.480%0.79774%0.736SS**  trans112.2146.7139.1-63.40000121.1
861V31Very low30.1Very low136 Ų136128.6 Ų128.682%0.82473%0.73SS**  trans-108.9144.4-176.4166.70000109.6
862P37.9Very low30.4Very low109 Ų109129.5 Ų129.571%0.70874%0.736SS**  -153148.3119.138.1-20.5000117.5
863D30Very low29.8Very low134 Ų134129.4 Ų129.472%0.71774%0.738SS**  trans53155.6137.2-73.85000123.2
864Q33.4Very low29.9Very low153 Ų153127.1 Ų127.172%0.71574%0.74SS**  cis-151.5-164.6-6.1-122.6177.578.600107.5
865I29.7Very low30.1Very low135 Ų135129.5 Ų129.569%0.69275%0.747SS**  cis-15516217.7-9.6172.1000112.2
866R28.6Very low30.2Very low238 Ų238130 Ų13090%0.89875%0.75SS**  trans76.2108.6137.4-172.9157.3-73.1-132.3-5.8122.1
867G25.8Very low30.4Very low78 Ų78129.9 Ų129.980%0.80475%0.754SS**  trans-178.4110.1153.300000111.3
868E30.5Very low30.6Very low150 Ų150128 Ų12870%0.70176%0.757SS**  trans-148.2171.6-172.9-126.2-138.4142.400109R870E868-R870 IonicContact OE1-CZ 3.03Å; E868-R870 IonicContact OE1-NH1 2.64Å; E868-R870 PolarHBondContact OE1-NH1 3.48Å; E868-R870 IonicContact OE1-NH2 2.69Å; E868-R870 PolarHBondContact OE1-NH2 2.89Å; E868-R870 IonicContact OE2-CZ 2.75Å; E868-R870 IonicContact OE2-NH1 3.72Å; E868-R870 PolarHBondContact OE2-NH1 3.18Å; E868-R870 IonicContact OE2-NH2 3.59Å; E868-R870 PolarHBondContact OE2-NH2 2.92Å
869P47.1Very low30.6Very low94 Ų94131.8 Ų131.861%0.6176%0.757SS**  cis-134-148.7-1.247.1-29.4000111.5
870R35.5Very low29.9Very low187 Ų187133.5 Ų133.571%0.70676%0.756SS**  cis-159.6160.5-15.2-148.1157.6-68-61.4-2.1106.1E868E868-R870 IonicContact OE1-CZ 3.03Å; E868-R870 IonicContact OE1-NH1 2.64Å; E868-R870 PolarHBondContact OE1-NH1 3.48Å; E868-R870 IonicContact OE1-NH2 2.69Å; E868-R870 PolarHBondContact OE1-NH2 2.89Å; E868-R870 IonicContact OE2-CZ 2.75Å; E868-R870 IonicContact OE2-NH1 3.72Å; E868-R870 PolarHBondContact OE2-NH1 3.18Å; E868-R870 IonicContact OE2-NH2 3.59Å; E868-R870 PolarHBondContact OE2-NH2 2.92Å
871G25.4Very low30.3Very low62 Ų62137.4 Ų137.464%0.63976%0.758SS**  cis160.6177.1-12.600000112.1
872S33.1Very low30Very low120 Ų120136.5 Ų136.584%0.83976%0.758SS**  trans68.9149.3172.1-64.50000118.7
873S30.1Very low29.5Very low117 Ų117141.4 Ų141.482%0.81876%0.764SS**  cis-178.3150.6-18.6530000110.9
874G25.9Very low29.3Very low73 Ų73141.4 Ų141.475%0.75376%0.764SS**  trans14794.7153.300000121.2
875L28.6Very low29.3Very low164 Ų164142 Ų14286%0.85977%0.767SS**  trans31135.9136.3-89.169.5000125.2
876V27.3Very low29.2Very low122 Ų122141.3 Ų141.374%0.73977%0.774SS**  91141128.5166.30000122.4
877N26Very low29.3Very low149 Ų149140.8 Ų140.880%0.79777%0.772SS**  trans-48.3151173.3-44.4-42.4000115.6
878S26.5Very low29.8Very low111 Ų111145.2 Ų145.278%0.77677%0.771SS**  -175.8127.2108.1-166.20000114.8
879R27.3Very low29.7Very low215 Ų215146 Ų14681%0.81178%0.78SS**  trans16.9132.1135.5-112.6-179-173-167.15.6120.7
880Q27.2Very low29.3Very low143 Ų143149.3 Ų149.367%0.66879%0.792SS**  109.2116.2116.5-161.3163.5-53.300120.7
881K30.1Very low29.2Very low196 Ų196143.7 Ų143.785%0.85279%0.793SS**  trans34.9127.5147.2-63.5-179.9176.1-173.20121
882S23.9Very low30.3Very low116 Ų116146.8 Ų146.881%0.81181%0.805SS**  -154139.2126.249.30000111.7
883Y27.9Very low30.6Very low213 Ų213145.2 Ų145.284%0.83579%0.794SS**  trans-80.3157.8144.6-88.7-118.8000105.3
884D26.6Very low31.6Very low134 Ų134146.7 Ų146.772%0.71779%0.791SS**  -169.9175.955.5-130.7-41.9000113.9
885Q33.3Very low32.8Very low165 Ų165146 Ų14677%0.77178%0.778SS**  trans-8.1135.7164.3-13473.2-23.200120.9
886S27.5Very low33.6Very low120 Ų120140.1 Ų140.184%0.83976%0.757SS**  trans-141.8163.1140.385.10000111
887R29.8Very low34.7Very low228 Ų228136.7 Ų136.786%0.8675%0.747SS**  trans-96.6161.3-164.2-71.6-176.6175.7-171.6-2.1114.2
888H35.7Very low35.8Very low171 Ų171135.9 Ų135.979%0.79274%0.742SS**  trans-0.6136.3163.2-62.2-84.8000119.1
889N28.1Very low37.1Very low165 Ų165134.8 Ų134.888%0.88273%0.73SS**  trans-139.7132.7130.8-121.8-19000109.9
890N40Very low38.5Very low164 Ų164132.5 Ų132.588%0.87773%0.726SS**  trans-76132.1168.7-97.4-0.1000108.6
891G33.6Very low40.3Very low70 Ų70127.5 Ų127.572%0.72271%0.713SS**  trans-160.886.9-179.300000110.8S893G891-S893 PolarHBondContact O-N 3.26Å
892S48.6Very low41.5Very low127 Ų127121.1 Ų121.189%0.88870%0.697SS**  trans-71.866.4180400000112.2I894S892-I894 PolarHBondContact O-N 2.9Å
893S39.2Very low43.3Very low87 Ų87121 Ų12161%0.60869%0.687SS**  trans-77.4112.7172.8-175.40000110.7G891 A895 G896G891-S893 PolarHBondContact O-N 3.26Å; S893-A895 PolarHBondContact O-N 2.88Å; S893-A895 VanDerWaalsContact O-N 3.09Å; S893-G896 PolarHBondContact O-N 3.33Å
894I51.6Low45.1Very low148 Ų148114.4 Ų114.476%0.75967%0.671SS**THydrogen-bonded Turntrans-55.6-28.7-177.1-63.5167.8000112.1S892 G896 G897S892-I894 PolarHBondContact O-N 2.9Å; I894-G896 PolarHBondContact O-N 3.17Å; I894-G897 PolarHBondContact O-N 2.95Å
895A49.5Very low47.2Very low57 Ų57113 Ų11347%0.47167%0.667SS.*Hα-helixtrans-58.3-29174.700000114S893 G897 V899S893-A895 PolarHBondContact O-N 2.88Å; S893-A895 VanDerWaalsContact O-N 3.09Å; A895-G897 PolarHBondContact O-N 3.09Å; A895-V899 WeakPolarHBondContact O-CG2 3.21Å; A895-V899 PolarHBondContact O-N 2.93Å
896G45.6Very low48.5Very low41 Ų41107.8 Ų107.842%0.42365%0.652SS.*Hα-helixtrans-69-30.5-178.300000114.2S893 I894 K900S893-G896 PolarHBondContact O-N 3.33Å; I894-G896 PolarHBondContact O-N 3.17Å; G896-K900 PolarHBondContact O-N 2.88Å
897G51.2Low50.1Low51 Ų51105 Ų10553%0.52664%0.636SS.*Hα-helixtrans-71.3-49.4176.900000111.9I894 A895 V899 K900 G901I894-G897 PolarHBondContact O-N 2.95Å; A895-G897 PolarHBondContact O-N 3.09Å; G897-V899 PolarHBondContact O-N 2.97Å; G897-K900 PolarHBondContact O-N 3.12Å; G897-G901 PolarHBondContact O-N 2.69Å
898L49.5Very low51.6Low131 Ų13197.5 Ų97.569%0.68662%0.619SS**Hα-helixtrans-56.5-44.5178.6-84.5157.3000112.7G901 A902L898-G901 PolarHBondContact O-N 3.27Å; L898-A902 WeakPolarHBondContact O-CB 3.2Å; L898-A902 PolarHBondContact O-N 3.07Å
899V53Low52.7Low89 Ų8991.4 Ų91.454%0.53960%0.598SS.*Hα-helixtrans-67.6-38.4179.4175.50000111.9A895 G897 L903A895-V899 WeakPolarHBondContact O-CG2 3.21Å; A895-V899 PolarHBondContact O-N 2.93Å; G897-V899 PolarHBondContact O-N 2.97Å; V899-L903 HydrophobicContact CG1-CD1 3.94Å; V899-L903 WeakPolarHBondContact O-CB 3.42Å; V899-L903 VanDerWaalsContact O-CG 3.32Å; V899-L903 WeakPolarHBondContact O-CG 3.38Å; V899-L903 PolarHBondContact O-N 3.4Å
900K57.3Low54.4Low167 Ų16790.9 Ų90.973%0.72659%0.585SS**Hα-helixtrans-67.8-40.3174.1-79.2-174.3174.3-177.10112.5G896 G897 L903 S904G896-K900 PolarHBondContact O-N 2.88Å; G897-K900 PolarHBondContact O-N 3.12Å; K900-L903 PolarHBondContact O-N 2.93Å; K900-S904 WeakPolarHBondContact O-CB 3.47Å; K900-S904 PolarHBondContact O-N 3.21Å
901G64.1Low55.4Low37 Ų3790.5 Ų90.538%0.38158%0.576SS.*Hα-helixtrans-60.5-51.1173.800000111.9G897 L898 L903 S904 V905G897-G901 PolarHBondContact O-N 2.69Å; L898-G901 PolarHBondContact O-N 3.27Å; G901-L903 PolarHBondContact O-N 2.88Å; G901-S904 PolarHBondContact O-N 3.5Å; G901-S904 VanDerWaalsContact O-N 3.17Å; G901-V905 WeakPolarHBondContact O-CG2 3.45Å; G901-V905 PolarHBondContact O-N 3.32Å
902A55.4Low56.5Low62 Ų6291 Ų9151%0.51257%0.573SS.*Hα-helixtrans-59.4-42.4177.700000112.7L898 A906L898-A902 WeakPolarHBondContact O-CB 3.2Å; L898-A902 PolarHBondContact O-N 3.07Å; A902-A906 WeakPolarHBondContact O-CB 3.47Å; A902-A906 PolarHBondContact O-N 2.91Å
903L61Low56.7Low115 Ų11591.4 Ų91.460%0.60256%0.564SS**Hα-helixtrans-67.4-36.3175.7-76168.3000112.8V899 K900 G901 A907V899-L903 HydrophobicContact CG1-CD1 3.94Å; V899-L903 WeakPolarHBondContact O-CB 3.42Å; V899-L903 VanDerWaalsContact O-CG 3.32Å; V899-L903 WeakPolarHBondContact O-CG 3.38Å; V899-L903 PolarHBondContact O-N 3.4Å; K900-L903 PolarHBondContact O-N 2.93Å; G901-L903 PolarHBondContact O-N 2.88Å; L903-A907 VanDerWaalsContact O-CB 3.25Å; L903-A907 WeakPolarHBondContact O-CB 3.13Å; L903-A907 PolarHBondContact O-N 2.88Å
904S67Low57.1Low74 Ų7494 Ų9452%0.51757%0.565SS.*Hα-helixtrans-66.4-46.1175.7-175.50000111.4K900 G901 A907 S908K900-S904 WeakPolarHBondContact O-CB 3.47Å; K900-S904 PolarHBondContact O-N 3.21Å; G901-S904 PolarHBondContact O-N 3.5Å; G901-S904 VanDerWaalsContact O-N 3.17Å; S904-A907 PolarHBondContact O-N 3.36Å; S904-S908 WeakPolarHBondContact O-CB 3.38Å; S904-S908 PolarHBondContact O-N 3Å; S904-S908 PolarHBondContact O-OG 3.23Å
905V69.8Low56.7Low103 Ų10390.7 Ų90.762%0.62456%0.555SS**Hα-helixtrans-63.5-43.7175.31740000111.3G901 S908 A909G901-V905 WeakPolarHBondContact O-CG2 3.45Å; G901-V905 PolarHBondContact O-N 3.32Å; V905-S908 PolarHBondContact O-N 3.08Å; V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.11Å
906A61Low56.4Low56 Ų5690.7 Ų90.746%0.46356%0.56SS.*Hα-helixtrans-63.2-42.5176.500000112.6A902 S908 A909 Y910A902-A906 WeakPolarHBondContact O-CB 3.47Å; A902-A906 PolarHBondContact O-N 2.91Å; A906-S908 VanDerWaalsContact C-N 3.3Å; A906-S908 PolarHBondContact O-N 3.11Å; A906-A909 PolarHBondContact O-N 3.39Å; A906-Y910 WeakPolarHBondContact O-CB 3.45Å; A906-Y910 PolarHBondContact O-N 3.45Å
907A61.3Low56.1Low61 Ų6194.6 Ų94.650%0.50458%0.579SS.*Hα-helixtrans-63.8-37.3174.700000111.8L903 S904 K911L903-A907 VanDerWaalsContact O-CB 3.25Å; L903-A907 WeakPolarHBondContact O-CB 3.13Å; L903-A907 PolarHBondContact O-N 2.88Å; S904-A907 PolarHBondContact O-N 3.36Å; A907-K911 WeakPolarHBondContact O-CB 3.32Å; A907-K911 PolarHBondContact O-N 3.21Å
908S61.7Low55.4Low71 Ų7197.9 Ų97.950%0.49759%0.591SS.*Hα-helixtrans-70.7-42.3178.6-55.50000111.4S904 V905 A906 K911 A912S904-S908 WeakPolarHBondContact O-CB 3.38Å; S904-S908 PolarHBondContact O-N 3Å; S904-S908 PolarHBondContact O-OG 3.23Å; V905-S908 PolarHBondContact O-N 3.08Å; A906-S908 VanDerWaalsContact C-N 3.3Å; A906-S908 PolarHBondContact O-N 3.11Å; S908-K911 PolarHBondContact O-N 2.98Å; S908-A912 WeakPolarHBondContact O-CB 3.36Å; S908-A912 PolarHBondContact O-N 2.92Å
909A58.2Low54.8Low43 Ų4398.4 Ų98.436%0.35560%0.599SS.*Hα-helixtrans-64.6-41.6173.100000111.9V905 A906 K911 A912 L913V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.11Å; A906-A909 PolarHBondContact O-N 3.39Å; A909-K911 VanDerWaalsContact C-N 3.34Å; A909-K911 PolarHBondContact O-N 3.47Å; A909-A912 PolarHBondContact O-N 3.2Å; A909-L913 WeakPolarHBondContact O-CB 3.45Å; A909-L913 VanDerWaalsContact O-CG 3.31Å; A909-L913 WeakPolarHBondContact O-CG 3.25Å; A909-L913 PolarHBondContact O-N 2.95Å
910Y63.8Low54Low155 Ų155100 Ų10061%0.60861%0.609SS**Hα-helixtrans-62.4-42.1174.4-165.9-86.1000111.2A906 A912 L913 F914A906-Y910 WeakPolarHBondContact O-CB 3.45Å; A906-Y910 PolarHBondContact O-N 3.45Å; Y910-A912 VanDerWaalsContact C-N 3.32Å; Y910-A912 PolarHBondContact O-N 2.77Å; Y910-L913 PolarHBondContact O-N 2.87Å; Y910-F914 HydrophobicContact CD1-CB 4.46Å; Y910-F914 HydrophobicContact CD1-CD2 4.04Å; Y910-F914 AromaticContact CD2-CD2 3.57Å; Y910-F914 HydrophobicContact CD2-CD2 3.57Å; Y910-F914 AromaticContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CE1-CB 4.19Å; Y910-F914 HydrophobicContact CE1-CD2 4.01Å; Y910-F914 HydrophobicContact CE1-CG 4.33Å; Y910-F914 AromaticContact CE2-CD2 3.55Å; Y910-F914 HydrophobicContact CE2-CD2 3.55Å; Y910-F914 AromaticContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CG 4.38Å; Y910-F914 AromaticContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CE2 4.39Å; Y910-F914 AromaticContact CZ-CD2 3.77Å; Y910-F914 WeakPolarHBondContact O-CB 3.04Å; Y910-F914 WeakPolarHBondContact O-CD2 3.21Å; Y910-F914 PolarHBondContact O-N 3.17Å
911K61.1Low53.1Low156 Ų15696.5 Ų96.568%0.67861%0.611SS**Hα-helixtrans-64.2-35.2174.3-163177.1-176.3-1760112.3A907 S908 A909 S915A907-K911 WeakPolarHBondContact O-CB 3.32Å; A907-K911 PolarHBondContact O-N 3.21Å; S908-K911 PolarHBondContact O-N 2.98Å; A909-K911 VanDerWaalsContact C-N 3.34Å; A909-K911 PolarHBondContact O-N 3.47Å; K911-S915 VanDerWaalsContact O-CB 3.23Å; K911-S915 WeakPolarHBondContact O-CB 3.32Å; K911-S915 PolarHBondContact O-N 2.9Å; K911-S915 PolarHBondContact O-OG 2.87Å
912A57.2Low51.9Low81 Ų81101.5 Ų101.567%0.66963%0.625SS**Hα-helixtrans-74.2-32.6176.100000113.8S908 A909 Y910S908-A912 WeakPolarHBondContact O-CB 3.36Å; S908-A912 PolarHBondContact O-N 2.92Å; A909-A912 PolarHBondContact O-N 3.2Å; Y910-A912 VanDerWaalsContact C-N 3.32Å; Y910-A912 PolarHBondContact O-N 2.77Å
913L52Low51.2Low134 Ų134101.7 Ų101.770%0.70262%0.621SS**Hα-helixtrans-91.7-23.7-175.7-68.8169.8000114.3A909 Y910A909-L913 WeakPolarHBondContact O-CB 3.45Å; A909-L913 VanDerWaalsContact O-CG 3.31Å; A909-L913 WeakPolarHBondContact O-CG 3.25Å; A909-L913 PolarHBondContact O-N 2.95Å; Y910-L913 PolarHBondContact O-N 2.87Å
914F46.8Very low50.5Low142 Ų142104.4 Ų104.462%0.62363%0.634SS**Hα-helixtrans-119.62.6-176.3-62-76.3000114.7Y910 G916Y910-F914 HydrophobicContact CD1-CB 4.46Å; Y910-F914 HydrophobicContact CD1-CD2 4.04Å; Y910-F914 AromaticContact CD2-CD2 3.57Å; Y910-F914 HydrophobicContact CD2-CD2 3.57Å; Y910-F914 AromaticContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CE1-CB 4.19Å; Y910-F914 HydrophobicContact CE1-CD2 4.01Å; Y910-F914 HydrophobicContact CE1-CG 4.33Å; Y910-F914 AromaticContact CE2-CD2 3.55Å; Y910-F914 HydrophobicContact CE2-CD2 3.55Å; Y910-F914 AromaticContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CG 4.38Å; Y910-F914 AromaticContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CE2 4.39Å; Y910-F914 AromaticContact CZ-CD2 3.77Å; Y910-F914 WeakPolarHBondContact O-CB 3.04Å; Y910-F914 WeakPolarHBondContact O-CD2 3.21Å; Y910-F914 PolarHBondContact O-N 3.17Å; F914-G916 PolarHBondContact O-N 3.46Å
915S44.8Very low50.1Low78 Ų78102.3 Ų102.355%0.54562%0.618SS.*  trans-73113.5160.7-61.70000108.9K911K911-S915 VanDerWaalsContact O-CB 3.23Å; K911-S915 WeakPolarHBondContact O-CB 3.32Å; K911-S915 PolarHBondContact O-N 2.9Å; K911-S915 PolarHBondContact O-OG 2.87Å
916G43.2Very low50.3Low57 Ų57100.2 Ų100.259%0.58861%0.608SS**PPolyproline II helixtrans-60163165.700000111.4F914F914-G916 PolarHBondContact O-N 3.46Å
917P39.3Very low51Low124 Ų124105.8 Ų105.881%0.80563%0.625SS**PPolyproline II helixtrans-55.2134.9178.724.4-34.2000110.1V919P917-V919 PolarHBondContact O-N 2.83Å
918P36.8Very low51.7Low120 Ų120109.2 Ų109.278%0.77963%0.634SS**PPolyproline II helixtrans-62.7123.7-175.525.2-33.6000109.8T920P918-T920 PolarHBondContact O-N 3.46Å; P918-T920 VanDerWaalsContact O-N 3.12Å
919V36.8Very low52.8Low141 Ų141110.8 Ų110.886%0.85563%0.634SS**PPolyproline II helixtrans-60.4117.1164.5176.80000106.4P917 A921P917-V919 PolarHBondContact O-N 2.83Å; V919-A921 PolarHBondContact O-N 3.24Å
920T36Very low54.2Low123 Ų123109.6 Ų109.676%0.75562%0.622SS**  trans-62.8103.8-179.346.50000109.8P918 Q922P918-T920 PolarHBondContact O-N 3.46Å; P918-T920 VanDerWaalsContact O-N 3.12Å; T920-Q922 PolarHBondContact O-N 2.9Å
921A37.3Very low55.4Low94 Ų94105 Ų10578%0.77762%0.616SS**PPolyproline II helixtrans-56.6126.615900000107.5V919V919-A921 PolarHBondContact O-N 3.24Å
922Q39.4Very low56.8Low141 Ų141100.5 Ų100.566%0.65961%0.608SS**PPolyproline II helixtrans-69.1141.8175.6-69.8-164-22.600109.3T920 I924T920-Q922 PolarHBondContact O-N 2.9Å; Q922-I924 PolarHBondContact O-N 3.33Å
923P40.4Very low58.4Low66 Ų6698.2 Ų98.243%0.42958%0.584SS.*PPolyproline II helixtrans-63.4127.5173.927.3-33.6000109.3V925P923-V925 HydrophobicContact CB-CG2 4.24Å; P923-V925 HydrophobicContact CG-CG2 4.33Å; P923-V925 PolarHBondContact O-N 2.93Å
924I46.4Very low60.2Low173 Ų17392.5 Ų92.589%0.88755%0.554SS**  trans-74.783.1170-56.3177.5000107Q922Q922-I924 PolarHBondContact O-N 3.33Å
925V58.2Low62.2Low29 Ų2988.4 Ų88.418%0.17655%0.546CS..  trans-73.5133.9172.7168.80000108.7P923 Q929 Y957P923-V925 HydrophobicContact CB-CG2 4.24Å; P923-V925 HydrophobicContact CG-CG2 4.33Å; P923-V925 PolarHBondContact O-N 2.93Å; V925-Q929 HydrophobicContact CG1-CB 3.91Å; V925-Q929 HydrophobicContact CG1-CG 3.96Å; V925-Y957 HydrophobicContact CB-CD1 4.39Å; V925-Y957 HydrophobicContact CB-CD2 3.78Å; V925-Y957 HydrophobicContact CB-CE1 4.36Å; V925-Y957 HydrophobicContact CB-CE2 3.72Å; V925-Y957 HydrophobicContact CB-CG 4.13Å; V925-Y957 HydrophobicContact CG1-CD1 3.91Å; V925-Y957 HydrophobicContact CG1-CD2 4.14Å; V925-Y957 HydrophobicContact CG1-CE1 4.09Å; V925-Y957 HydrophobicContact CG1-CE2 4.29Å; V925-Y957 HydrophobicContact CG1-CG 3.94Å; V925-Y957 HydrophobicContact CG2-CD2 3.41Å; V925-Y957 VanDerWaalsContact CG2-CD2 3.41Å; V925-Y957 HydrophobicContact CG2-CE2 3.78Å; V925-Y957 HydrophobicContact CG2-CG 3.89Å
926S73.9Confident64.4Low59 Ų5988.8 Ų88.841%0.41354%0.539SS..  trans-65.4156-177.665.80000112.1D928 Q929 T930S926-D928 VanDerWaalsContact C-N 3.27Å; S926-D928 PolarHBondContact O-N 3.31Å; S926-Q929 PolarHBondContact O-N 2.89Å; S926-Q929 VanDerWaalsContact OG-CB 3.28Å; S926-Q929 WeakPolarHBondContact OG-CB 3.26Å; S926-Q929 PolarHBondContact OG-N 3.13Å; S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 PolarHBondContact O-OG1 2.91Å
927E77Confident66.6Low174 Ų17486 Ų8681%0.81351%0.511SS*.Hα-helixtrans-64.3-36.1178-168.6155.9-160.500111.1T930 A931E927-T930 CarbonylContact O-C 3.55Å; E927-T930 WeakPolarHBondContact O-CB 3Å; E927-T930 PolarHBondContact O-N 3.48Å; E927-A931 WeakPolarHBondContact O-CB 3.41Å; E927-A931 PolarHBondContact O-N 2.94Å
928D75.4Confident68.9Low133 Ų13384 Ų8471%0.71149%0.49SS*.Hα-helixtrans-64.2-43.7173.4-59.4-45.3000113S926 T930 A931 A932S926-D928 VanDerWaalsContact C-N 3.27Å; S926-D928 PolarHBondContact O-N 3.31Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 3.43Å; D928-A931 PolarHBondContact O-N 3.45Å; D928-A931 VanDerWaalsContact O-N 3.17Å; D928-A932 WeakPolarHBondContact O-CB 3.43Å; D928-A932 PolarHBondContact O-N 3.14Å
929Q84.8Confident71.4Confident104 Ų10485.2 Ų85.249%0.48649%0.485SS..Hα-helixtrans-65.9-36.3176.1-174.3173.327.300110.8V925 S926 L933V925-Q929 HydrophobicContact CG1-CB 3.91Å; V925-Q929 HydrophobicContact CG1-CG 3.96Å; S926-Q929 PolarHBondContact O-N 2.89Å; S926-Q929 VanDerWaalsContact OG-CB 3.28Å; S926-Q929 WeakPolarHBondContact OG-CB 3.26Å; S926-Q929 PolarHBondContact OG-N 3.13Å; Q929-L933 HydrophobicContact CG-CD1 4.2Å; Q929-L933 WeakPolarHBondContact O-CB 3.22Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.22Å; Q929-L933 PolarHBondContact O-N 2.84Å; Q929-L933 VanDerWaalsContact O-N 3.08Å
930T87.9Confident73.6Confident18 Ų1880.9 Ų80.911%0.1146%0.456CS..Hα-helixtrans-63.2-43.9171.1-56.70000111.1S926 E927 D928 L933 M934 L949 Y957S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 PolarHBondContact O-OG1 2.91Å; E927-T930 CarbonylContact O-C 3.55Å; E927-T930 WeakPolarHBondContact O-CB 3Å; E927-T930 PolarHBondContact O-N 3.48Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 3.43Å; T930-L933 PolarHBondContact O-N 3.28Å; T930-M934 HydrophobicContact CG2-CG 4.38Å; T930-M934 WeakPolarHBondContact O-CB 3.47Å; T930-M934 WeakPolarHBondContact O-CG 3.33Å; T930-M934 PolarHBondContact O-N 2.69Å; T930-L949 HydrophobicContact CG2-CD1 3.68Å; T930-Y957 HydrophobicContact CG2-CE1 4.05Å; T930-Y957 WeakPolarHBondContact OG1-CE1 3.24Å
931A87.9Confident75.7Confident58 Ų5875.8 Ų75.848%0.47943%0.428SS..Hα-helixtrans-63.8-42.7178.600000112.4E927 D928 M934 A935E927-A931 WeakPolarHBondContact O-CB 3.41Å; E927-A931 PolarHBondContact O-N 2.94Å; D928-A931 PolarHBondContact O-N 3.45Å; D928-A931 VanDerWaalsContact O-N 3.17Å; A931-M934 PolarHBondContact O-N 3.34Å; A931-A935 WeakPolarHBondContact O-CB 3.34Å; A931-A935 PolarHBondContact O-N 3.06Å
932A91.4Very high78Confident61 Ų6171.9 Ų71.950%0.50439%0.394SS..Hα-helixtrans-63.7-45.1176.400000112.5D928 M934 A935 H936D928-A932 WeakPolarHBondContact O-CB 3.43Å; D928-A932 PolarHBondContact O-N 3.14Å; A932-M934 VanDerWaalsContact C-N 3.32Å; A932-M934 PolarHBondContact O-N 2.62Å; A932-A935 PolarHBondContact O-N 3.22Å; A932-H936 PolarHBondContact O-N 3.38Å
933L91.6Very high79.9Confident34 Ų3469.4 Ų69.418%0.17839%0.391CS..Hα-helixtrans-65.6-36.2176.5-67.5170.6000112Q929 T930 L937 L952 Y957 I959Q929-L933 HydrophobicContact CG-CD1 4.2Å; Q929-L933 WeakPolarHBondContact O-CB 3.22Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.22Å; Q929-L933 PolarHBondContact O-N 2.84Å; Q929-L933 VanDerWaalsContact O-N 3.08Å; T930-L933 PolarHBondContact O-N 3.28Å; L933-L937 WeakPolarHBondContact O-CG 3.43Å; L933-L937 PolarHBondContact O-N 3.44Å; L933-L937 VanDerWaalsContact O-N 3.17Å; L933-L952 HydrophobicContact CB-CD1 4.16Å; L933-L952 HydrophobicContact CB-CD2 4.06Å; L933-L952 HydrophobicContact CD1-CD2 4.19Å; L933-Y957 HydrophobicContact CD1-CD1 4.33Å; L933-I959 HydrophobicContact CB-CD1 4.38Å; L933-I959 HydrophobicContact CD2-CB 4.16Å; L933-I959 HydrophobicContact CD2-CD1 3.91Å; L933-I959 HydrophobicContact CD2-CG2 4.45Å
934M89Confident82.1Confident13 Ų1370.2 Ų70.26%0.06439%0.391CS..Hα-helixtrans-65.6-43.5172.2-72.3-68.3-60.800111.8T930 A931 A932 H936 L937 F938 R945 N948 L949 L952T930-M934 HydrophobicContact CG2-CG 4.38Å; T930-M934 WeakPolarHBondContact O-CB 3.47Å; T930-M934 WeakPolarHBondContact O-CG 3.33Å; T930-M934 PolarHBondContact O-N 2.69Å; A931-M934 PolarHBondContact O-N 3.34Å; A932-M934 VanDerWaalsContact C-N 3.32Å; A932-M934 PolarHBondContact O-N 2.62Å; M934-H936 VanDerWaalsContact C-N 3.34Å; M934-H936 PolarHBondContact O-N 3.14Å; M934-L937 PolarHBondContact O-N 3.47Å; M934-F938 HydrophobicContact CB-CE2 4.41Å; M934-F938 HydrophobicContact CE-CE2 4.05Å; M934-F938 HydrophobicContact CE-CZ 4.31Å; M934-F938 WeakPolarHBondContact O-CD2 3.46Å; M934-F938 PolarHBondContact O-N 2.86Å; M934-R945 HydrophobicContact CE-CB 4.23Å; M934-R945 HydrophobicContact CE-CG 3.52Å; M934-R945 WeakPolarHBondContact CE-O 3.38Å; M934-N948 HydrophobicContact CE-CB 3.75Å; M934-N948 HydrophobicContact SD-CB 3.62Å; M934-L949 HydrophobicContact CE-CB 4.46Å; M934-L949 HydrophobicContact SD-CB 4.15Å; M934-L952 HydrophobicContact CG-CD1 3.91Å; M934-L952 HydrophobicContact SD-CD1 3.56Å; M934-L952 VanDerWaalsContact SD-CD1 3.56Å
935A89.1Confident84Confident56 Ų5670.6 Ų70.646%0.46338%0.382SS..Hα-helixtrans-59.3-42.7176.900000112A931 A932 L937 F938 E939A931-A935 WeakPolarHBondContact O-CB 3.34Å; A931-A935 PolarHBondContact O-N 3.06Å; A932-A935 PolarHBondContact O-N 3.22Å; A935-L937 PolarHBondContact O-N 3.04Å; A935-F938 WeakPolarHBondContact O-CB 2.95Å; A935-F938 PolarHBondContact O-N 3.01Å; A935-E939 WeakPolarHBondContact O-CB 3.31Å; A935-E939 PolarHBondContact O-N 3.09Å
936H90.6Very high85.4Confident86 Ų8676.3 Ų76.340%0.39841%0.406SS..Hα-helixtrans-67.8-32.7176.9-165.348.7000112.8A932 M934 E939 M940 I959A932-H936 PolarHBondContact O-N 3.38Å; M934-H936 VanDerWaalsContact C-N 3.34Å; M934-H936 PolarHBondContact O-N 3.14Å; H936-E939 IonicContact CE1-OE2 3.85Å; H936-E939 IonicContact CG-OE2 2.73Å; H936-E939 IonicContact ND1-OE2 2.71Å; H936-E939 PolarHBondContact ND1-OE2 3.3Å; H936-E939 PolarHBondContact O-N 2.94Å; H936-M940 WeakPolarHBondContact O-CE 3.39Å; H936-M940 PolarHBondContact O-N 3.39Å; H936-M940 VanDerWaalsContact O-N 3.11Å; H936-I959 HydrophobicContact CB-CD1 4.08Å
937L89.9Confident86Confident0 Ų074.9 Ų74.90%039%0.394CS..Hα-helixtrans-66.4-39.8170.5-70168.8000112.3L933 M934 A935 M940 G941 F942 N948 L952 I959 V962 V963 L966L933-L937 WeakPolarHBondContact O-CG 3.43Å; L933-L937 PolarHBondContact O-N 3.44Å; L933-L937 VanDerWaalsContact O-N 3.17Å; M934-L937 PolarHBondContact O-N 3.47Å; A935-L937 PolarHBondContact O-N 3.04Å; L937-M940 HydrophobicContact CD2-CE 4.05Å; L937-G941 PolarHBondContact O-N 3.18Å; L937-F942 HydrophobicContact CB-CB 4.5Å; L937-F942 HydrophobicContact CD2-CD2 4.25Å; L937-F942 WeakPolarHBondContact O-CB 3.24Å; L937-F942 PolarHBondContact O-N 3.24Å; L937-N948 WeakPolarHBondContact CB-ND2 3.39Å; L937-N948 HydrophobicContact CD1-CB 3.82Å; L937-L952 HydrophobicContact CD1-CD1 3.98Å; L937-L952 HydrophobicContact CD1-CD2 4.45Å; L937-L952 HydrophobicContact CD1-CG 4.13Å; L937-I959 HydrophobicContact CD2-CD1 4.19Å; L937-I959 HydrophobicContact CD2-CG1 4.01Å; L937-I959 HydrophobicContact CG-CD1 3.94Å; L937-I959 HydrophobicContact CG-CG1 4.25Å; L937-V962 HydrophobicContact CD1-CG1 3.81Å; L937-V962 HydrophobicContact CD2-CG1 3.98Å; L937-V963 HydrophobicContact CD2-CG2 3.65Å; L937-L966 HydrophobicContact CD2-CD1 3.9Å
938F86.8Confident86.7Confident80 Ų8066.7 Ų66.735%0.35136%0.356SS..Hα-helixtrans-63.6-43.4172.2-73.7-66.1000112.2M934 A935 M940 G941 C943 R945M934-F938 HydrophobicContact CB-CE2 4.41Å; M934-F938 HydrophobicContact CE-CE2 4.05Å; M934-F938 HydrophobicContact CE-CZ 4.31Å; M934-F938 WeakPolarHBondContact O-CD2 3.46Å; M934-F938 PolarHBondContact O-N 2.86Å; A935-F938 WeakPolarHBondContact O-CB 2.95Å; A935-F938 PolarHBondContact O-N 3.01Å; F938-M940 VanDerWaalsContact C-N 3.32Å; F938-M940 PolarHBondContact O-N 3.44Å; F938-G941 WeakPolarHBondContact O-CA 3.48Å; F938-G941 PolarHBondContact O-N 3.32Å; F938-C943 WeakPolarHBondContact CE1-O 3.41Å; F938-R945 HydrophobicContact CE2-CG 4.49Å; F938-R945 HydrophobicContact CZ-CB 3.88Å; F938-R945 HydrophobicContact CZ-CG 3.95Å
939E88.9Confident87.4Confident146 Ų14662.7 Ų62.768%0.68233%0.334SS*.Hα-helixtrans-59.2-38.7177.9-178.6-179.2-145.400112.7A935 H936 G941A935-E939 WeakPolarHBondContact O-CB 3.31Å; A935-E939 PolarHBondContact O-N 3.09Å; H936-E939 IonicContact CE1-OE2 3.85Å; H936-E939 IonicContact CG-OE2 2.73Å; H936-E939 IonicContact ND1-OE2 2.71Å; H936-E939 PolarHBondContact ND1-OE2 3.3Å; H936-E939 PolarHBondContact O-N 2.94Å; E939-G941 VanDerWaalsContact C-N 3.25Å; E939-G941 PolarHBondContact O-N 2.91Å
940M83.1Confident87.7Confident51 Ų5165.4 Ų65.425%0.25134%0.34SS..Hα-helixtrans-68.5-23172.7-74.6-178.3-85.600113.2H936 L937 F938 F942 I959 V963 W974 R978H936-M940 WeakPolarHBondContact O-CE 3.39Å; H936-M940 PolarHBondContact O-N 3.39Å; H936-M940 VanDerWaalsContact O-N 3.11Å; L937-M940 HydrophobicContact CD2-CE 4.05Å; F938-M940 VanDerWaalsContact C-N 3.32Å; F938-M940 PolarHBondContact O-N 3.44Å; M940-F942 HydrophobicContact CB-CD2 3.84Å; M940-F942 HydrophobicContact CB-CE2 3.9Å; M940-F942 HydrophobicContact SD-CE2 4.47Å; M940-I959 HydrophobicContact CE-CD1 4.31Å; M940-I959 HydrophobicContact CE-CG1 4.42Å; M940-V963 HydrophobicContact CE-CG2 3.72Å; M940-V963 HydrophobicContact SD-CG2 3.96Å; M940-W974 WeakPolarHBondContact O-CZ3 3.33Å; M940-R978 PolarHBondContact O-NH2 2.68Å
941G81Confident87.8Confident15 Ų1564.8 Ų64.816%0.15534%0.336CS..THydrogen-bonded Turntrans111.98-179.900000114.9L937 F938 E939 C943L937-G941 PolarHBondContact O-N 3.18Å; F938-G941 WeakPolarHBondContact O-CA 3.48Å; F938-G941 PolarHBondContact O-N 3.32Å; E939-G941 VanDerWaalsContact C-N 3.25Å; E939-G941 PolarHBondContact O-N 2.91Å; G941-C943 PolarHBondContact O-N 3.41Å; G941-C943 VanDerWaalsContact O-N 3.13Å
942F85.3Confident88.1Confident13 Ų1362 Ų626%0.05731%0.313CS..  trans-8484.8177.5-59.6-74000110.3L937 M940 D944 N948 V963 L966 L967 W974L937-F942 HydrophobicContact CB-CB 4.5Å; L937-F942 HydrophobicContact CD2-CD2 4.25Å; L937-F942 WeakPolarHBondContact O-CB 3.24Å; L937-F942 PolarHBondContact O-N 3.24Å; M940-F942 HydrophobicContact CB-CD2 3.84Å; M940-F942 HydrophobicContact CB-CE2 3.9Å; M940-F942 HydrophobicContact SD-CE2 4.47Å; F942-D944 PolarHBondContact O-N 3.42Å; F942-N948 PolarHBondContact O-ND2 3.37Å; F942-V963 HydrophobicContact CE2-CG1 4.07Å; F942-V963 HydrophobicContact CE2-CG2 4.17Å; F942-V963 HydrophobicContact CZ-CG1 4.2Å; F942-L966 HydrophobicContact CB-CD1 3.98Å; F942-L966 HydrophobicContact CD1-CB 3.79Å; F942-L966 HydrophobicContact CD1-CD1 3.89Å; F942-L966 HydrophobicContact CD1-CD2 4.41Å; F942-L966 HydrophobicContact CD1-CG 4.25Å; F942-L966 HydrophobicContact CD2-CD1 4.1Å; F942-L966 HydrophobicContact CE1-CB 3.67Å; F942-L966 HydrophobicContact CE1-CD1 4.4Å; F942-L966 HydrophobicContact CG-CB 4.46Å; F942-L966 HydrophobicContact CG-CD1 3.72Å; F942-L966 HydrophobicContact CZ-CB 4.25Å; F942-L967 HydrophobicContact CE1-CD2 4.35Å; F942-L967 HydrophobicContact CZ-CD2 3.95Å; F942-L967 HydrophobicContact CZ-CG 4.17Å; F942-W974 HydrophobicContact CE1-CB 3.96Å; F942-W974 HydrophobicContact CE1-CG 4.43Å
943C79.4Confident87.9Confident88 Ų8865.8 Ų65.860%0.59531%0.314SS*.  trans-80.5-4.5-169.9-650000116.4F938 G941 R945F938-C943 WeakPolarHBondContact CE1-O 3.41Å; G941-C943 PolarHBondContact O-N 3.41Å; G941-C943 VanDerWaalsContact O-N 3.13Å; C943-R945 PolarHBondContact O-N 2.74Å; C943-R945 VanDerWaalsContact O-N 3.12Å
944D85.8Confident87.9Confident83 Ų8369.8 Ų69.844%0.44433%0.33SS..  trans-79.397176.1-174.1-18.6000111.7F942 Q946 L947 N948F942-D944 PolarHBondContact O-N 3.42Å; D944-Q946 PolarHBondContact O-N 3.13Å; D944-Q946 WeakPolarHBondContact OD1-CA 3.31Å; D944-Q946 PolarHBondContact OD1-N 2.89Å; D944-L947 HydrophobicContact CB-CB 3.87Å; D944-L947 PolarHBondContact O-N 3.36Å; D944-L947 PolarHBondContact OD1-N 3.19Å; D944-L947 VanDerWaalsContact OD2-CB 3.31Å; D944-L947 WeakPolarHBondContact OD2-CB 3.48Å; D944-N948 VanDerWaalsContact O-CB 3.3Å; D944-N948 WeakPolarHBondContact O-CB 3.38Å; D944-N948 PolarHBondContact O-N 3.48Å; D944-N948 PolarHBondContact O-ND2 3.39Å; D944-N948 PolarHBondContact O-OD1 3.45Å
945R87.3Confident87.9Confident181 Ų18170.8 Ų70.868%0.68334%0.335SS*.Hα-helixtrans-57.1-32.6177.4-162.6178.9175.7172.5-1.3113.5M934 F938 C943 L949M934-R945 HydrophobicContact CE-CB 4.23Å; M934-R945 HydrophobicContact CE-CG 3.52Å; M934-R945 WeakPolarHBondContact CE-O 3.38Å; F938-R945 HydrophobicContact CE2-CG 4.49Å; F938-R945 HydrophobicContact CZ-CB 3.88Å; F938-R945 HydrophobicContact CZ-CG 3.95Å; C943-R945 PolarHBondContact O-N 2.74Å; C943-R945 VanDerWaalsContact O-N 3.12Å; R945-L949 WeakPolarHBondContact O-CB 3.45Å; R945-L949 PolarHBondContact O-N 3.15Å
946Q86.9Confident88Confident149 Ų14972.9 Ų72.970%0.69634%0.338SS*.Hα-helixtrans-83.8-39.9-175.7-61.9-167.71200111.9D944 R950D944-Q946 PolarHBondContact O-N 3.13Å; D944-Q946 WeakPolarHBondContact OD1-CA 3.31Å; D944-Q946 PolarHBondContact OD1-N 2.89Å; Q946-R950 VanDerWaalsContact O-CB 3.3Å; Q946-R950 WeakPolarHBondContact O-CB 3.3Å; Q946-R950 PolarHBondContact O-N 2.84Å; Q946-R950 VanDerWaalsContact O-N 3.09Å
947L87.6Confident87.9Confident30 Ų3070.8 Ų70.816%0.15733%0.327CS..Hα-helixtrans-65.3-48.3173.9-177.360.5000110.9D944 L949 R950 L951 L966 I969D944-L947 HydrophobicContact CB-CB 3.87Å; D944-L947 PolarHBondContact O-N 3.36Å; D944-L947 PolarHBondContact OD1-N 3.19Å; D944-L947 VanDerWaalsContact OD2-CB 3.31Å; D944-L947 WeakPolarHBondContact OD2-CB 3.48Å; L947-L949 PolarHBondContact O-N 3.46Å; L947-R950 WeakPolarHBondContact O-CB 3.33Å; L947-R950 PolarHBondContact O-N 3.11Å; L947-L951 HydrophobicContact CD1-CD1 3.97Å; L947-L951 HydrophobicContact CD1-CG 4.15Å; L947-L951 HydrophobicContact CG-CD1 3.93Å; L947-L951 HydrophobicContact CG-CG 4.45Å; L947-L951 WeakPolarHBondContact O-CB 3.38Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.32Å; L947-L966 HydrophobicContact CD2-CD2 3.62Å; L947-L966 HydrophobicContact CG-CD2 3.84Å; L947-I969 HydrophobicContact CD1-CD1 4.28Å; L947-I969 HydrophobicContact CD2-CG2 4.38Å
948N91.8Very high87.9Confident1 Ų173.9 Ų73.91%0.00534%0.343CS..Hα-helixtrans-56.6-49.1178.1-70.5-2.7000112.1M934 L937 F942 D944 R950 L951 L952 L966M934-N948 HydrophobicContact CE-CB 3.75Å; M934-N948 HydrophobicContact SD-CB 3.62Å; L937-N948 WeakPolarHBondContact CB-ND2 3.39Å; L937-N948 HydrophobicContact CD1-CB 3.82Å; F942-N948 PolarHBondContact O-ND2 3.37Å; D944-N948 VanDerWaalsContact O-CB 3.3Å; D944-N948 WeakPolarHBondContact O-CB 3.38Å; D944-N948 PolarHBondContact O-N 3.48Å; D944-N948 PolarHBondContact O-ND2 3.39Å; D944-N948 PolarHBondContact O-OD1 3.45Å; N948-R950 VanDerWaalsContact C-N 3.32Å; N948-R950 PolarHBondContact O-N 3.12Å; N948-L951 PolarHBondContact O-N 3.24Å; N948-L952 WeakPolarHBondContact O-CB 3.49Å; N948-L952 WeakPolarHBondContact O-CG 3.23Å; N948-L952 PolarHBondContact O-N 3.42Å; N948-L966 WeakPolarHBondContact OD1-CD1 3.5Å
949L90.1Very high88.1Confident49 Ų4971.7 Ų71.726%0.25734%0.335SS..Hα-helixtrans-65.6-35.2179.6-176.163000112.2T930 M934 R945 L947 R953T930-L949 HydrophobicContact CG2-CD1 3.68Å; M934-L949 HydrophobicContact CE-CB 4.46Å; M934-L949 HydrophobicContact SD-CB 4.15Å; R945-L949 WeakPolarHBondContact O-CB 3.45Å; R945-L949 PolarHBondContact O-N 3.15Å; L947-L949 PolarHBondContact O-N 3.46Å; L949-R953 WeakPolarHBondContact O-CG 3.37Å; L949-R953 PolarHBondContact O-N 3.46Å; L949-R953 VanDerWaalsContact O-N 3.15Å
950R90.1Very high88.1Confident162 Ų16271 Ų7161%0.61134%0.336SS*.Hα-helixtrans-65.7-43173.9-174.6-176.1-61.9155.55.1111.3Q946 L947 N948 R953 K954Q946-R950 VanDerWaalsContact O-CB 3.3Å; Q946-R950 WeakPolarHBondContact O-CB 3.3Å; Q946-R950 PolarHBondContact O-N 2.84Å; Q946-R950 VanDerWaalsContact O-N 3.09Å; L947-R950 WeakPolarHBondContact O-CB 3.33Å; L947-R950 PolarHBondContact O-N 3.11Å; N948-R950 VanDerWaalsContact C-N 3.32Å; N948-R950 PolarHBondContact O-N 3.12Å; R950-R953 PolarHBondContact O-N 3.12Å; R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 2.96Å
951L91.1Very high88.4Confident5 Ų573.1 Ų73.13%0.02635%0.345CS..Hα-helixtrans-72.8-38.7-179.7-69.4176.3000112.4L947 N948 R953 K954 H955 V962 E965 L966 I969L947-L951 HydrophobicContact CD1-CD1 3.97Å; L947-L951 HydrophobicContact CD1-CG 4.15Å; L947-L951 HydrophobicContact CG-CD1 3.93Å; L947-L951 HydrophobicContact CG-CG 4.45Å; L947-L951 WeakPolarHBondContact O-CB 3.38Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.32Å; N948-L951 PolarHBondContact O-N 3.24Å; L951-R953 VanDerWaalsContact C-N 3.33Å; L951-R953 PolarHBondContact O-N 3.45Å; L951-K954 HydrophobicContact CD2-CD 3.96Å; L951-K954 WeakPolarHBondContact O-CB 3.46Å; L951-K954 PolarHBondContact O-N 3.42Å; L951-K954 VanDerWaalsContact O-N 3.11Å; L951-H955 PolarHBondContact O-CD2 3.33Å; L951-H955 PolarHBondContact O-N 2.62Å; L951-V962 VanDerWaalsContact C-CG2 3.5Å; L951-V962 HydrophobicContact CB-CB 4.39Å; L951-V962 HydrophobicContact CB-CG1 3.79Å; L951-V962 HydrophobicContact CB-CG2 4.08Å; L951-V962 HydrophobicContact CD1-CG1 4.48Å; L951-V962 WeakPolarHBondContact O-CG2 3.47Å; L951-E965 HydrophobicContact CD2-CB 4.45Å; L951-E965 VanDerWaalsContact CD2-CD 3.46Å; L951-E965 HydrophobicContact CD2-CG 4.03Å; L951-E965 VanDerWaalsContact CD2-OE1 3.27Å; L951-E965 WeakPolarHBondContact CD2-OE1 3.37Å; L951-L966 HydrophobicContact CD1-CD2 3.56Å; L951-L966 HydrophobicContact CD1-CG 3.62Å; L951-I969 HydrophobicContact CD1-CD1 4.22Å
952L92.4Very high88.9Confident0 Ų072.4 Ų72.40%034%0.337CS..Hα-helixtrans-56.2-48.2170.1-78.1168000110.6L933 M934 L937 N948 K954 H955 N956 Y957 V962L933-L952 HydrophobicContact CB-CD1 4.16Å; L933-L952 HydrophobicContact CB-CD2 4.06Å; L933-L952 HydrophobicContact CD1-CD2 4.19Å; M934-L952 HydrophobicContact CG-CD1 3.91Å; M934-L952 HydrophobicContact SD-CD1 3.56Å; M934-L952 VanDerWaalsContact SD-CD1 3.56Å; L937-L952 HydrophobicContact CD1-CD1 3.98Å; L937-L952 HydrophobicContact CD1-CD2 4.45Å; L937-L952 HydrophobicContact CD1-CG 4.13Å; N948-L952 WeakPolarHBondContact O-CB 3.49Å; N948-L952 WeakPolarHBondContact O-CG 3.23Å; N948-L952 PolarHBondContact O-N 3.42Å; L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 3.23Å; L952-H955 PolarHBondContact O-N 3.31Å; L952-N956 PolarHBondContact O-N 2.85Å; L952-Y957 HydrophobicContact CB-CD1 3.84Å; L952-Y957 HydrophobicContact CB-CE1 4.18Å; L952-Y957 HydrophobicContact CD2-CD1 4.34Å; L952-Y957 WeakPolarHBondContact O-CA 3.25Å; L952-Y957 PolarHBondContact O-N 3.29Å; L952-V962 HydrophobicContact CB-CG2 4.49Å; L952-V962 HydrophobicContact CD2-CG2 3.93Å; L952-V962 HydrophobicContact CG-CG2 4.11Å
953R88.4Confident89.1Confident140 Ų14073 Ų7353%0.52834%0.342SS..Hα-helixtrans-65.2-30.7175.2-71.1175.3179.6-177.81.2113.6L949 R950 L951L949-R953 WeakPolarHBondContact O-CG 3.37Å; L949-R953 PolarHBondContact O-N 3.46Å; L949-R953 VanDerWaalsContact O-N 3.15Å; R950-R953 PolarHBondContact O-N 3.12Å; L951-R953 VanDerWaalsContact C-N 3.33Å; L951-R953 PolarHBondContact O-N 3.45Å
954K90.8Very high89.6Confident118 Ų11873.4 Ų73.451%0.51334%0.342SS..Hα-helixtrans-68.5-39.5175.4-169.6-168.1-178.3-163.90112.4R950 L951 L952 E965R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 2.96Å; L951-K954 HydrophobicContact CD2-CD 3.96Å; L951-K954 WeakPolarHBondContact O-CB 3.46Å; L951-K954 PolarHBondContact O-N 3.42Å; L951-K954 VanDerWaalsContact O-N 3.11Å; L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 3.23Å; K954-E965 IonicContact NZ-OE1 2.68Å; K954-E965 PolarHBondContact NZ-OE1 2.93Å; K954-E965 IonicContact NZ-OE2 3.36Å; K954-E965 PolarHBondContact NZ-OE2 2.87Å
955H89.7Confident89.7Confident33 Ų3371.6 Ų71.615%0.15333%0.331CS..THydrogen-bonded Turntrans-104.523.4-173-67.7-60.9000113.9L951 L952 Y957 N958 Q961 V962 E965L951-H955 PolarHBondContact O-CD2 3.33Å; L951-H955 PolarHBondContact O-N 2.62Å; L952-H955 PolarHBondContact O-N 3.31Å; H955-Y957 PolarHBondContact O-N 2.94Å; H955-N958 HydrophobicContact CB-CB 4.49Å; H955-N958 WeakPolarHBondContact O-CB 3.15Å; H955-N958 PolarHBondContact O-N 3.4Å; H955-Q961 HydrophobicContact CB-CB 3.88Å; H955-V962 HydrophobicContact CB-CG2 4.16Å; H955-E965 IonicContact CD2-OE2 2.7Å; H955-E965 IonicContact CE1-OE2 3.45Å; H955-E965 PolarHBondContact CE1-OE2 3Å; H955-E965 IonicContact NE2-OE2 3.83Å; H955-E965 PolarHBondContact NE2-OE2 3.46Å
956N90.1Very high89.7Confident100 Ų10063.1 Ų63.154%0.53530%0.299SS..THydrogen-bonded Turntrans49.742.5-178.1-55.7-69.5000113L952 N958L952-N956 PolarHBondContact O-N 2.85Å; N956-N958 PolarHBondContact O-N 2.9Å
957Y89.6Confident89.6Confident42 Ų4258.2 Ų58.217%0.16528%0.277CS..THydrogen-bonded Turntrans63.315.3-179.2-57.3-94.7000115.3V925 T930 L933 L952 H955 I959V925-Y957 HydrophobicContact CB-CD1 4.39Å; V925-Y957 HydrophobicContact CB-CD2 3.78Å; V925-Y957 HydrophobicContact CB-CE1 4.36Å; V925-Y957 HydrophobicContact CB-CE2 3.72Å; V925-Y957 HydrophobicContact CB-CG 4.13Å; V925-Y957 HydrophobicContact CG1-CD1 3.91Å; V925-Y957 HydrophobicContact CG1-CD2 4.14Å; V925-Y957 HydrophobicContact CG1-CE1 4.09Å; V925-Y957 HydrophobicContact CG1-CE2 4.29Å; V925-Y957 HydrophobicContact CG1-CG 3.94Å; V925-Y957 HydrophobicContact CG2-CD2 3.41Å; V925-Y957 VanDerWaalsContact CG2-CD2 3.41Å; V925-Y957 HydrophobicContact CG2-CE2 3.78Å; V925-Y957 HydrophobicContact CG2-CG 3.89Å; T930-Y957 HydrophobicContact CG2-CE1 4.05Å; T930-Y957 WeakPolarHBondContact OG1-CE1 3.24Å; L933-Y957 HydrophobicContact CD1-CD1 4.33Å; L952-Y957 HydrophobicContact CB-CD1 3.84Å; L952-Y957 HydrophobicContact CB-CE1 4.18Å; L952-Y957 HydrophobicContact CD2-CD1 4.34Å; L952-Y957 WeakPolarHBondContact O-CA 3.25Å; L952-Y957 PolarHBondContact O-N 3.29Å; H955-Y957 PolarHBondContact O-N 2.94Å; Y957-I959 PolarHBondContact O-N 3.43Å; Y957-I959 VanDerWaalsContact O-N 3.08Å
958N89.6Confident89.3Confident65 Ų6564 Ų6435%0.34830%0.303SS..  trans-7397.2173.1-174.6-14.8000111.8H955 N956 L960 Q961 V962H955-N958 HydrophobicContact CB-CB 4.49Å; H955-N958 WeakPolarHBondContact O-CB 3.15Å; H955-N958 PolarHBondContact O-N 3.4Å; N956-N958 PolarHBondContact O-N 2.9Å; N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.97Å; N958-L960 PolarHBondContact OD1-N 3.25Å; N958-Q961 HydrophobicContact CB-CB 4.35Å; N958-Q961 HydrophobicContact CB-CG 4.43Å; N958-Q961 VanDerWaalsContact ND2-CD 3.32Å; N958-Q961 PolarHBondContact ND2-OE1 2.66Å; N958-Q961 PolarHBondContact O-N 2.78Å; N958-Q961 VanDerWaalsContact O-N 3.09Å; N958-V962 PolarHBondContact O-N 3.03Å; N958-V962 VanDerWaalsContact O-N 3.11Å
959I90.1Very high88.7Confident34 Ų3467.8 Ų67.817%0.17432%0.322CS..Hα-helixtrans-59.8-30.4-175.4-164.7149.6000114.3L933 H936 L937 M940 Y957 Q961 V962 V963L933-I959 HydrophobicContact CB-CD1 4.38Å; L933-I959 HydrophobicContact CD2-CB 4.16Å; L933-I959 HydrophobicContact CD2-CD1 3.91Å; L933-I959 HydrophobicContact CD2-CG2 4.45Å; H936-I959 HydrophobicContact CB-CD1 4.08Å; L937-I959 HydrophobicContact CD2-CD1 4.19Å; L937-I959 HydrophobicContact CD2-CG1 4.01Å; L937-I959 HydrophobicContact CG-CD1 3.94Å; L937-I959 HydrophobicContact CG-CG1 4.25Å; M940-I959 HydrophobicContact CE-CD1 4.31Å; M940-I959 HydrophobicContact CE-CG1 4.42Å; Y957-I959 PolarHBondContact O-N 3.43Å; Y957-I959 VanDerWaalsContact O-N 3.08Å; I959-Q961 PolarHBondContact O-N 3.24Å; I959-V962 PolarHBondContact O-N 3.38Å; I959-V963 HydrophobicContact CG1-CG2 4.34Å; I959-V963 WeakPolarHBondContact O-CG2 3.45Å; I959-V963 PolarHBondContact O-N 2.84Å
960L89.8Confident87.6Confident133 Ų13367.8 Ų67.870%0.69632%0.323SS*.Hα-helixtrans-65.4-40.2176.4-74.8162.6000111.7N958 T964N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.97Å; N958-L960 PolarHBondContact OD1-N 3.25Å; L960-T964 WeakPolarHBondContact O-CB 3.28Å; L960-T964 PolarHBondContact O-N 3.4Å; L960-T964 PolarHBondContact O-OG1 2.67Å
961Q89.9Confident86.4Confident94 Ų9466.2 Ų66.244%0.43933%0.326SS..Hα-helixtrans-72.1-35.4176.1-70178.1-41.300111.5H955 N958 I959 T964 E965H955-Q961 HydrophobicContact CB-CB 3.88Å; N958-Q961 HydrophobicContact CB-CB 4.35Å; N958-Q961 HydrophobicContact CB-CG 4.43Å; N958-Q961 VanDerWaalsContact ND2-CD 3.32Å; N958-Q961 PolarHBondContact ND2-OE1 2.66Å; N958-Q961 PolarHBondContact O-N 2.78Å; N958-Q961 VanDerWaalsContact O-N 3.09Å; I959-Q961 PolarHBondContact O-N 3.24Å; Q961-T964 PolarHBondContact O-N 2.83Å; Q961-E965 PolarHBondContact O-N 3.08Å
962V91.1Very high85Confident0 Ų070.5 Ų70.50%035%0.349CS..Hα-helixtrans-62.7-50.8173.4175.20000111.8L937 L951 L952 H955 N958 I959 T964 E965 L966L937-V962 HydrophobicContact CD1-CG1 3.81Å; L937-V962 HydrophobicContact CD2-CG1 3.98Å; L951-V962 VanDerWaalsContact C-CG2 3.5Å; L951-V962 HydrophobicContact CB-CB 4.39Å; L951-V962 HydrophobicContact CB-CG1 3.79Å; L951-V962 HydrophobicContact CB-CG2 4.08Å; L951-V962 HydrophobicContact CD1-CG1 4.48Å; L951-V962 WeakPolarHBondContact O-CG2 3.47Å; L952-V962 HydrophobicContact CB-CG2 4.49Å; L952-V962 HydrophobicContact CD2-CG2 3.93Å; L952-V962 HydrophobicContact CG-CG2 4.11Å; H955-V962 HydrophobicContact CB-CG2 4.16Å; N958-V962 PolarHBondContact O-N 3.03Å; N958-V962 VanDerWaalsContact O-N 3.11Å; I959-V962 PolarHBondContact O-N 3.38Å; V962-T964 VanDerWaalsContact C-N 3.32Å; V962-T964 PolarHBondContact O-N 2.73Å; V962-E965 PolarHBondContact O-N 3.27Å; V962-L966 HydrophobicContact CG1-CD1 3.66Å; V962-L966 HydrophobicContact CG1-CG 4.26Å; V962-L966 WeakPolarHBondContact O-CB 3.25Å; V962-L966 VanDerWaalsContact O-CG 3.31Å; V962-L966 WeakPolarHBondContact O-CG 3.23Å; V962-L966 PolarHBondContact O-N 3.04Å
963V90.2Very high83.3Confident27 Ų2773.9 Ų73.916%0.16437%0.367CS..Hα-helixtrans-61.3-42177.3172.10000110.9L937 M940 F942 I959 E965 L966 L967L937-V963 HydrophobicContact CD2-CG2 3.65Å; M940-V963 HydrophobicContact CE-CG2 3.72Å; M940-V963 HydrophobicContact SD-CG2 3.96Å; F942-V963 HydrophobicContact CE2-CG1 4.07Å; F942-V963 HydrophobicContact CE2-CG2 4.17Å; F942-V963 HydrophobicContact CZ-CG1 4.2Å; I959-V963 HydrophobicContact CG1-CG2 4.34Å; I959-V963 WeakPolarHBondContact O-CG2 3.45Å; I959-V963 PolarHBondContact O-N 2.84Å; V963-E965 VanDerWaalsContact C-N 3.33Å; V963-E965 PolarHBondContact O-N 3.45Å; V963-L966 PolarHBondContact O-N 3.21Å; V963-L967 HydrophobicContact CG1-CD1 3.88Å; V963-L967 HydrophobicContact CG1-CG 4.24Å; V963-L967 WeakPolarHBondContact O-CB 3.41Å; V963-L967 VanDerWaalsContact O-CG 3.24Å; V963-L967 WeakPolarHBondContact O-CG 3.47Å; V963-L967 PolarHBondContact O-N 3.08Å
964T88.9Confident81.9Confident95 Ų9570.6 Ų70.658%0.58336%0.355SS*.Hα-helixtrans-59.8-42176.9-55.90000111.9L960 Q961 V962 H968L960-T964 WeakPolarHBondContact O-CB 3.28Å; L960-T964 PolarHBondContact O-N 3.4Å; L960-T964 PolarHBondContact O-OG1 2.67Å; Q961-T964 PolarHBondContact O-N 2.83Å; V962-T964 VanDerWaalsContact C-N 3.32Å; V962-T964 PolarHBondContact O-N 2.73Å; T964-H968 PolarHBondContact O-N 3.34Å
965E88.4Confident80.3Confident46 Ų4671.4 Ų71.422%0.21536%0.356CS..Hα-helixtrans-75-35.6177.1-170168.8154.400112.9L951 K954 H955 Q961 V962 V963 H968 I969L951-E965 HydrophobicContact CD2-CB 4.45Å; L951-E965 VanDerWaalsContact CD2-CD 3.46Å; L951-E965 HydrophobicContact CD2-CG 4.03Å; L951-E965 VanDerWaalsContact CD2-OE1 3.27Å; L951-E965 WeakPolarHBondContact CD2-OE1 3.37Å; K954-E965 IonicContact NZ-OE1 2.68Å; K954-E965 PolarHBondContact NZ-OE1 2.93Å; K954-E965 IonicContact NZ-OE2 3.36Å; K954-E965 PolarHBondContact NZ-OE2 2.87Å; H955-E965 IonicContact CD2-OE2 2.7Å; H955-E965 IonicContact CE1-OE2 3.45Å; H955-E965 PolarHBondContact CE1-OE2 3Å; H955-E965 IonicContact NE2-OE2 3.83Å; H955-E965 PolarHBondContact NE2-OE2 3.46Å; Q961-E965 PolarHBondContact O-N 3.08Å; V962-E965 PolarHBondContact O-N 3.27Å; V963-E965 VanDerWaalsContact C-N 3.33Å; V963-E965 PolarHBondContact O-N 3.45Å; E965-H968 PolarHBondContact O-N 3.44Å; E965-I969 HydrophobicContact CG-CD1 3.78Å; E965-I969 HydrophobicContact CG-CG1 4.19Å; E965-I969 WeakPolarHBondContact O-CB 3.42Å; E965-I969 VanDerWaalsContact O-CG1 3.28Å; E965-I969 WeakPolarHBondContact O-CG1 3.27Å; E965-I969 PolarHBondContact O-N 2.64Å
966L86.9Confident78.7Confident3 Ų373.4 Ų73.42%0.01637%0.374CS..Hα-helixtrans-61.3-45.2174.1-76.2166.2000112.2L937 F942 L947 N948 L951 V962 V963 H968 I969 N970L937-L966 HydrophobicContact CD2-CD1 3.9Å; F942-L966 HydrophobicContact CB-CD1 3.98Å; F942-L966 HydrophobicContact CD1-CB 3.79Å; F942-L966 HydrophobicContact CD1-CD1 3.89Å; F942-L966 HydrophobicContact CD1-CD2 4.41Å; F942-L966 HydrophobicContact CD1-CG 4.25Å; F942-L966 HydrophobicContact CD2-CD1 4.1Å; F942-L966 HydrophobicContact CE1-CB 3.67Å; F942-L966 HydrophobicContact CE1-CD1 4.4Å; F942-L966 HydrophobicContact CG-CB 4.46Å; F942-L966 HydrophobicContact CG-CD1 3.72Å; F942-L966 HydrophobicContact CZ-CB 4.25Å; L947-L966 HydrophobicContact CD2-CD2 3.62Å; L947-L966 HydrophobicContact CG-CD2 3.84Å; N948-L966 WeakPolarHBondContact OD1-CD1 3.5Å; L951-L966 HydrophobicContact CD1-CD2 3.56Å; L951-L966 HydrophobicContact CD1-CG 3.62Å; V962-L966 HydrophobicContact CG1-CD1 3.66Å; V962-L966 HydrophobicContact CG1-CG 4.26Å; V962-L966 WeakPolarHBondContact O-CB 3.25Å; V962-L966 VanDerWaalsContact O-CG 3.31Å; V962-L966 WeakPolarHBondContact O-CG 3.23Å; V962-L966 PolarHBondContact O-N 3.04Å; V963-L966 PolarHBondContact O-N 3.21Å; L966-H968 VanDerWaalsContact C-N 3.29Å; L966-H968 PolarHBondContact O-N 2.8Å; L966-I969 PolarHBondContact O-N 3.18Å; L966-N970 PolarHBondContact O-N 3.09Å; L966-N970 VanDerWaalsContact O-N 3.08Å
967L83.9Confident76.9Confident45 Ų4574.7 Ų74.724%0.23638%0.376CS..Hα-helixtrans-59.2-42.1174.5-70.2171.1000111.1F942 V963 N971 N972 W974F942-L967 HydrophobicContact CE1-CD2 4.35Å; F942-L967 HydrophobicContact CZ-CD2 3.95Å; F942-L967 HydrophobicContact CZ-CG 4.17Å; V963-L967 HydrophobicContact CG1-CD1 3.88Å; V963-L967 HydrophobicContact CG1-CG 4.24Å; V963-L967 WeakPolarHBondContact O-CB 3.41Å; V963-L967 VanDerWaalsContact O-CG 3.24Å; V963-L967 WeakPolarHBondContact O-CG 3.47Å; V963-L967 PolarHBondContact O-N 3.08Å; L967-N971 PolarHBondContact O-N 2.98Å; L967-N972 PolarHBondContact O-N 2.91Å; L967-W974 HydrophobicContact CD2-CB 4.35Å; L967-W974 HydrophobicContact CD2-CD2 4.19Å; L967-W974 HydrophobicContact CD2-CG 3.67Å
968H82.6Confident75Confident152 Ų15279.6 Ų79.670%0.70440%0.395SS*.Hα-helixtrans-71.4-38.5179.6-153.270.5000113T964 E965 L966 N970 N971T964-H968 PolarHBondContact O-N 3.34Å; E965-H968 PolarHBondContact O-N 3.44Å; L966-H968 VanDerWaalsContact C-N 3.29Å; L966-H968 PolarHBondContact O-N 2.8Å; H968-N970 VanDerWaalsContact C-N 3.33Å; H968-N970 PolarHBondContact O-N 3.22Å; H968-N971 PolarHBondContact O-N 3.31Å
969I79.4Confident72.6Confident80 Ų8090.7 Ų90.741%0.4143%0.434SS..Hα-helixtrans-64.3-37.8176.3-74.8169.9000111.4L947 L951 E965 L966 N971L947-I969 HydrophobicContact CD1-CD1 4.28Å; L947-I969 HydrophobicContact CD2-CG2 4.38Å; L951-I969 HydrophobicContact CD1-CD1 4.22Å; E965-I969 HydrophobicContact CG-CD1 3.78Å; E965-I969 HydrophobicContact CG-CG1 4.19Å; E965-I969 WeakPolarHBondContact O-CB 3.42Å; E965-I969 VanDerWaalsContact O-CG1 3.28Å; E965-I969 WeakPolarHBondContact O-CG1 3.27Å; E965-I969 PolarHBondContact O-N 2.64Å; L966-I969 PolarHBondContact O-N 3.18Å; I969-N971 VanDerWaalsContact C-N 3.3Å; I969-N971 PolarHBondContact O-N 3.19Å
970N67.1Low71.8Confident50 Ų5093.6 Ų93.627%0.26745%0.447SS..THydrogen-bonded Turntrans-85.811.4177.3-788.5000113.7L966 H968 N972 D973 W974L966-N970 PolarHBondContact O-N 3.09Å; L966-N970 VanDerWaalsContact O-N 3.08Å; H968-N970 VanDerWaalsContact C-N 3.33Å; H968-N970 PolarHBondContact O-N 3.22Å; N970-N972 PolarHBondContact O-N 2.88Å; N970-N972 VanDerWaalsContact O-N 3.08Å; N970-D973 WeakPolarHBondContact O-CA 3.43Å; N970-D973 WeakPolarHBondContact O-CB 3.3Å; N970-D973 PolarHBondContact O-N 2.83Å; N970-W974 HydrophobicContact CB-CB 4.48Å
971N65.1Low70.8Confident128 Ų12891.5 Ų91.568%0.68443%0.433SS*.THydrogen-bonded Turntrans54.522.8-174.5-59.7-40.5000114.9L967 H968 I969 D973L967-N971 PolarHBondContact O-N 2.98Å; H968-N971 PolarHBondContact O-N 3.31Å; I969-N971 VanDerWaalsContact C-N 3.3Å; I969-N971 PolarHBondContact O-N 3.19Å; N971-D973 VanDerWaalsContact C-N 3.27Å
972N59.8Low69.7Low95 Ų9591.3 Ų91.351%0.50843%0.433SS..THydrogen-bonded Turntrans68.92.6-164.8-49.8-74.7000116.6L967 N970 W974 Y975L967-N972 PolarHBondContact O-N 2.91Å; N970-N972 PolarHBondContact O-N 2.88Å; N970-N972 VanDerWaalsContact O-N 3.08Å; N972-W974 PolarHBondContact O-N 3.08Å; N972-Y975 VanDerWaalsContact O-CD1 3.25Å; N972-Y975 WeakPolarHBondContact O-CD1 3.31Å; N972-Y975 WeakPolarHBondContact O-CE1 3.46Å
973D56.7Low68.5Low71 Ų7196.7 Ų96.738%0.3846%0.459SS..G310 helixtrans-76.525.4174.1-62.1-37.3000113.6N970 N971 Y975 S976N970-D973 WeakPolarHBondContact O-CA 3.43Å; N970-D973 WeakPolarHBondContact O-CB 3.3Å; N970-D973 PolarHBondContact O-N 2.83Å; N971-D973 VanDerWaalsContact C-N 3.27Å; D973-Y975 HydrophobicContact CB-CE1 4.46Å; D973-Y975 PolarHBondContact O-N 3.24Å; D973-Y975 PolarHBondContact OD1-OH 3.45Å; D973-S976 VanDerWaalsContact O-CB 3.23Å; D973-S976 WeakPolarHBondContact O-CB 3.38Å; D973-S976 PolarHBondContact O-N 2.71Å; D973-S976 PolarHBondContact O-OG 3.36Å
974W61.1Low67.1Low72 Ų72101.1 Ų101.127%0.27348%0.477SS..G310 helixtrans-62.7-23.8179.369.2-85.3000113.1M940 F942 L967 N970 N972 S976M940-W974 WeakPolarHBondContact O-CZ3 3.33Å; F942-W974 HydrophobicContact CE1-CB 3.96Å; F942-W974 HydrophobicContact CE1-CG 4.43Å; L967-W974 HydrophobicContact CD2-CB 4.35Å; L967-W974 HydrophobicContact CD2-CD2 4.19Å; L967-W974 HydrophobicContact CD2-CG 3.67Å; N970-W974 HydrophobicContact CB-CB 4.48Å; N972-W974 PolarHBondContact O-N 3.08Å; W974-S976 VanDerWaalsContact C-N 3.26Å; W974-S976 PolarHBondContact O-N 3.45Å
975Y56.9Low65.7Low134 Ų134101.5 Ų101.553%0.52547%0.47SS..G310 helixtrans-68.4-24174.657.1-91.7000112.8N972 D973 H977 R978N972-Y975 VanDerWaalsContact O-CD1 3.25Å; N972-Y975 WeakPolarHBondContact O-CD1 3.31Å; N972-Y975 WeakPolarHBondContact O-CE1 3.46Å; D973-Y975 HydrophobicContact CB-CE1 4.46Å; D973-Y975 PolarHBondContact O-N 3.24Å; D973-Y975 PolarHBondContact OD1-OH 3.45Å; Y975-H977 PolarHBondContact O-N 3.49Å; Y975-H977 VanDerWaalsContact O-N 3.14Å; Y975-R978 PolarHBondContact O-N 3.24Å
976S54.9Low64.1Low75 Ų75105.4 Ų105.452%0.52449%0.488SS..G310 helixtrans-69.8-5.3-179.4-55.30000114.4D973 W974D973-S976 VanDerWaalsContact O-CB 3.23Å; D973-S976 WeakPolarHBondContact O-CB 3.38Å; D973-S976 PolarHBondContact O-N 2.71Å; D973-S976 PolarHBondContact O-OG 3.36Å; W974-S976 VanDerWaalsContact C-N 3.26Å; W974-S976 PolarHBondContact O-N 3.45Å
977H53.2Low62.3Low127 Ų127113.3 Ų113.359%0.58853%0.525SS*.G310 helixtrans-11923.4-179.5-63.5-46.6000113.4Y975 Y979Y975-H977 PolarHBondContact O-N 3.49Å; Y975-H977 VanDerWaalsContact O-N 3.14Å; H977-Y979 VanDerWaalsContact C-N 3.3Å; H977-Y979 PolarHBondContact O-N 2.84Å
978R48.8Very low60.5Low146 Ų146119 Ų11955%0.55155%0.549SS*.  trans-86.417177.9-83.3-170.3160.5-159.7-6.6115.4M940 Y975M940-R978 PolarHBondContact O-NH2 2.68Å; Y975-R978 PolarHBondContact O-N 3.24Å
979Y40.3Very low58.5Low298 Ų298116 Ų116100%1.16954%0.535SS*.  trans-137.40176.7-70.6-74.2000111H977H977-Y979 VanDerWaalsContact C-N 3.3Å; H977-Y979 PolarHBondContact O-N 2.84Å

Retrieved 979 of 979 residues in 259.9 ms (Link to these results)